#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffz s LYS 3 N 0.00 4.74 -0.26 -0.52 3.01 -1.26 -5.02 119.74 120.42 3ffz s LYS 3 Ca 0.00 1.37 -0.10 0.00 -1.01 0.00 0.00 55.97 56.23 3ffz s LYS 3 Cb 0.00 -3.29 -0.05 0.00 -1.01 0.00 0.00 37.83 33.48 3ffz s LYS 3 CO 0.00 0.49 0.16 0.42 0.51 0.00 0.00 175.35 176.92 3ffz s ILE 4 N -0.97 5.11 -0.40 2.17 -1.09 -1.26 -4.58 121.20 120.17 3ffz s ILE 4 Ca 0.40 0.10 -0.20 0.00 -2.23 0.00 0.00 60.65 58.72 3ffz s ILE 4 Cb -0.25 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3ffz s ILE 4 CO 0.30 0.29 0.60 0.20 -1.23 0.00 0.00 174.94 175.10 3ffz s ASN 5 N 1.55 6.33 0.36 3.58 0.01 0.96 -5.04 114.94 122.69 3ffz s ASN 5 Ca 0.07 -0.21 -0.25 0.00 -0.71 0.00 0.00 52.86 51.76 3ffz s ASN 5 Cb -0.15 -2.30 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 3ffz s ASN 5 CO 0.08 -0.67 0.96 -0.44 -1.51 0.00 0.00 177.10 175.53 3ffz s SER 6 N 1.90 7.14 0.00 -1.22 0.01 -1.26 -4.67 113.70 115.60 3ffz s SER 6 Ca 0.21 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.31 3ffz s SER 6 Cb -0.15 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3ffz s SER 6 CO 0.17 -0.21 0.00 0.49 0.41 0.00 0.00 173.24 174.10 3ffz n PHE 7 N 0.17 -0.06 -3.72 2.43 3.72 -1.26 -5.14 117.46 113.61 3ffz n PHE 7 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 3ffz n PHE 7 Cb 0.51 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 3ffz n PHE 7 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3ffz s ASN 8 N -0.16 -0.39 0.62 4.37 0.01 -1.26 -4.98 114.94 113.15 3ffz s ASN 8 Ca 0.00 0.71 0.28 0.00 -0.71 0.00 0.00 52.86 53.14 3ffz s ASN 8 Cb 0.00 0.61 1.50 0.00 0.41 0.00 0.00 41.25 43.77 3ffz s ASN 8 CO 0.00 -0.17 1.88 0.22 -1.51 0.00 0.00 177.10 177.52 3ffz h TYR 9 N 6.90 0.00 -0.66 2.20 3.20 -1.88 0.22 116.97 126.94 3ffz h TYR 9 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3ffz h TYR 9 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3ffz h TYR 9 CO 0.32 0.00 0.00 0.27 -1.64 0.00 0.00 178.16 177.11 3ffz n ASN 10 N -3.34 4.37 -4.77 -2.11 2.04 -1.26 -4.95 115.26 105.24 3ffz n ASN 10 Ca 0.04 -2.27 -0.39 0.00 -0.44 0.00 0.00 54.58 51.52 3ffz n ASN 10 Cb 0.56 -0.53 -0.01 0.00 -2.53 0.00 0.00 39.78 37.27 3ffz n ASN 10 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 3ffz s ASP 11 N -0.97 6.34 0.17 0.53 -0.00 0.76 -4.93 116.67 118.56 3ffz s ASP 11 Ca 0.49 2.54 -0.32 0.00 -0.00 0.00 0.00 52.55 55.26 3ffz s ASP 11 Cb 0.29 -2.63 -0.12 0.00 -0.00 0.00 0.00 42.92 40.46 3ffz s ASP 11 CO 0.27 -0.82 1.71 -2.65 -0.00 0.00 0.00 175.17 173.69 3ffz n PRO 12 N 0.05 2.61 -1.61 8.23 -0.02 -1.26 -4.91 135.00 138.08 3ffz n PRO 12 Ca 0.04 0.94 -0.47 0.00 -2.02 0.00 0.00 63.50 61.99 3ffz n PRO 12 Cb 0.45 -2.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 3ffz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ffz n VAL 13 N 4.01 0.46 -0.50 -1.45 0.31 -1.26 -4.82 118.33 115.08 3ffz n VAL 13 Ca 0.17 -0.22 0.06 0.00 -0.01 0.00 0.00 64.34 64.35 3ffz n VAL 13 Cb 0.34 -2.00 0.18 0.00 -0.91 0.00 0.00 33.84 31.44 3ffz n VAL 13 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3ffz n ASN 14 N 8.46 3.14 -1.70 4.52 6.94 -0.50 -4.81 115.26 131.32 3ffz n ASN 14 Ca 0.28 -2.42 -0.13 0.00 -0.02 0.00 0.00 54.58 52.29 3ffz n ASN 14 Cb 0.32 -0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 37.37 3ffz n ASN 14 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3ffz n ASP 15 N -0.05 -3.68 0.00 0.53 8.00 -0.64 -4.69 116.55 116.01 3ffz n ASP 15 Ca 0.14 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.92 3ffz n ASP 15 Cb 0.59 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 3ffz n ASP 15 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ffz n ARG 16 N -2.16 0.00 -0.10 -1.24 1.74 -1.26 -4.92 116.66 108.72 3ffz n ARG 16 Ca -0.14 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3ffz n ARG 16 Cb 0.49 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.05 3ffz n ARG 16 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ffz n THR 17 N -2.33 0.46 -3.65 0.55 -2.24 -1.26 -4.84 114.28 100.97 3ffz n THR 17 Ca 0.00 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 60.99 3ffz n THR 17 Cb 0.00 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3ffz n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ffz s ILE 18 N -1.10 -0.75 0.00 2.28 1.01 -1.26 -0.20 121.20 121.18 3ffz s ILE 18 Ca 0.23 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3ffz s ILE 18 Cb 0.14 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3ffz s ILE 18 CO 0.19 0.05 0.00 0.00 0.00 0.00 0.00 174.94 175.18 3ffz n LEU 19 N 5.41 0.00 -4.80 2.97 -0.00 -0.96 -1.41 117.00 118.21 3ffz n LEU 19 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.58 3ffz n LEU 19 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.84 3ffz n LEU 19 CO -0.01 0.00 -0.23 -0.31 -0.00 0.00 0.00 177.39 176.84 3ffz s TYR 20 N -6.12 3.35 0.05 1.47 2.02 -1.07 -0.26 117.35 116.80 3ffz s TYR 20 Ca 0.00 0.29 0.04 0.00 -0.37 0.00 0.00 57.07 57.02 3ffz s TYR 20 Cb 0.00 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3ffz s TYR 20 CO 0.00 0.58 -0.11 0.42 -1.57 0.00 0.00 175.55 174.87 3ffz s ILE 21 N -1.12 0.84 -0.33 2.71 1.01 -0.67 -2.27 121.20 121.37 3ffz s ILE 21 Ca 0.20 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3ffz s ILE 21 Cb -0.12 -0.84 0.11 0.00 0.01 0.00 0.00 42.46 41.62 3ffz s ILE 21 CO 0.10 -0.26 0.15 -0.75 0.00 0.00 0.00 174.94 174.18 3ffz s LYS 22 N -1.56 0.61 0.85 2.79 2.20 -0.46 0.87 119.74 125.04 3ffz s LYS 22 Ca -0.05 -1.10 -0.10 0.00 -0.36 0.00 0.00 55.97 54.36 3ffz s LYS 22 Cb -0.10 -1.65 0.11 0.00 -1.51 0.00 0.00 37.83 34.68 3ffz s LYS 22 CO 0.01 -1.07 1.11 -2.14 -0.36 0.00 0.00 175.35 172.91 3ffz s PRO 23 N 1.47 1.55 0.33 4.03 0.02 -1.26 -3.91 135.00 137.23 3ffz s PRO 23 Ca 0.12 1.31 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 3ffz s PRO 23 Cb -0.19 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 3ffz s PRO 23 CO -0.20 -2.19 1.47 0.41 -0.33 0.00 0.00 177.00 176.16 3ffz n GLY 24 N -0.51 1.05 1.68 0.52 0.00 -1.26 -1.73 105.19 104.95 3ffz n GLY 24 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3ffz n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffz n GLY 25 N 1.24 3.04 3.80 -0.02 0.00 -1.26 -4.85 105.19 107.14 3ffz n GLY 25 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3ffz n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffz n GLN 27 N -0.33 2.93 -3.60 0.00 3.00 -1.26 -4.86 117.38 113.27 3ffz n GLN 27 Ca 0.06 -2.48 -0.16 0.00 -0.01 0.00 0.00 57.00 54.42 3ffz n GLN 27 Cb 0.52 -1.51 -0.07 0.00 0.00 0.00 0.00 30.24 29.18 3ffz n GLN 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 3ffz s GLU 28 N -1.19 0.90 0.09 -1.09 -1.05 -1.26 -5.14 118.70 109.96 3ffz s GLU 28 Ca 0.39 0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 55.54 3ffz s GLU 28 Cb 0.22 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 34.28 3ffz s GLU 28 CO 0.25 -0.19 1.18 -0.06 0.95 0.00 0.00 175.26 177.38 3ffz s PHE 29 N -0.33 3.47 0.01 4.83 0.08 -1.26 -4.62 117.98 120.16 3ffz s PHE 29 Ca -0.05 1.37 0.04 0.00 0.12 0.00 0.00 56.93 58.41 3ffz s PHE 29 Cb -0.03 -3.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 3ffz s PHE 29 CO 0.05 -1.13 -0.09 0.71 -0.10 0.00 0.00 175.22 174.66 3ffz s TYR 30 N 0.74 2.83 -0.24 0.36 2.02 0.25 -4.77 117.35 118.55 3ffz s TYR 30 Ca 0.56 -0.08 -0.28 0.00 -0.37 0.00 0.00 57.07 56.90 3ffz s TYR 30 Cb -0.30 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 3ffz s TYR 30 CO 0.31 0.34 2.10 0.21 -1.57 0.00 0.00 175.55 176.95 3ffz s LYS 31 N -1.37 3.22 0.24 -0.62 2.20 -1.26 -1.68 119.74 120.47 3ffz s LYS 31 Ca 0.16 1.90 0.09 0.00 -0.36 0.00 0.00 55.97 57.77 3ffz s LYS 31 Cb -0.11 -4.32 -0.04 0.00 -1.51 0.00 0.00 37.83 31.85 3ffz s LYS 31 CO 0.07 -2.00 -0.02 -1.12 -0.36 0.00 0.00 175.35 171.91 3ffz s SER 32 N 7.61 4.51 -0.03 1.43 0.01 0.65 -4.41 113.70 123.47 3ffz s SER 32 Ca 0.95 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 57.65 3ffz s SER 32 Cb -0.31 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 3ffz s SER 32 CO 0.35 0.03 -0.17 -0.36 0.41 0.00 0.00 173.24 173.50 3ffz s PHE 33 N -2.16 1.62 -1.15 2.43 2.99 -0.43 -2.27 117.98 119.00 3ffz s PHE 33 Ca 0.30 -0.40 -0.15 0.00 0.00 0.00 0.00 56.93 56.67 3ffz s PHE 33 Cb -0.07 -1.08 0.15 0.00 0.00 0.00 0.00 43.02 42.02 3ffz s PHE 33 CO 0.19 -0.11 1.40 1.21 -0.00 0.00 0.00 175.22 177.91 3ffz s ASN 34 N -0.13 6.95 0.26 1.36 2.47 0.72 -0.60 114.94 125.97 3ffz s ASN 34 Ca 0.00 -2.71 -0.05 0.00 0.42 0.00 0.00 52.86 50.52 3ffz s ASN 34 Cb -0.10 -2.42 0.31 0.00 -1.45 0.00 0.00 41.25 37.59 3ffz s ASN 34 CO 0.01 -0.87 1.94 -0.29 -3.72 0.00 0.00 177.10 174.17 3ffz h ILE 35 N 5.04 1.25 -3.91 -5.21 6.09 -1.79 -3.44 117.51 115.54 3ffz h ILE 35 Ca 0.29 -0.46 -0.14 0.00 -1.37 0.00 0.00 64.86 63.18 3ffz h ILE 35 Cb 0.91 -0.14 -0.10 0.00 0.47 0.00 0.00 36.82 37.96 3ffz h ILE 35 CO 1.24 0.24 -0.21 -0.32 -3.07 0.00 0.00 178.15 176.03 3ffz s MET 36 N -6.04 1.59 0.25 2.19 1.75 -1.23 -0.03 119.30 117.79 3ffz s MET 36 Ca -0.13 -1.44 -0.30 0.00 -1.25 0.00 0.00 55.69 52.57 3ffz s MET 36 Cb 0.18 0.43 -0.11 0.00 2.84 0.00 0.00 34.83 38.18 3ffz s MET 36 CO 0.81 -0.65 1.52 0.15 -0.65 0.00 0.00 175.02 176.20 3ffz s LYS 37 N -3.77 4.21 -0.49 4.11 -0.14 -1.26 -2.53 119.74 119.86 3ffz s LYS 37 Ca 0.27 2.41 0.00 0.00 -1.36 0.00 0.00 55.97 57.29 3ffz s LYS 37 Cb 0.01 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.07 3ffz s LYS 37 CO 0.12 -0.53 0.00 0.09 -0.76 0.00 0.00 175.35 174.28 3ffz n ASN 38 N 2.58 -5.79 -4.04 2.83 4.13 -1.26 -4.68 115.26 109.02 3ffz n ASN 38 Ca 0.09 0.11 -0.27 0.00 1.68 0.00 0.00 54.58 56.18 3ffz n ASN 38 Cb 0.39 -3.70 -0.17 0.00 -1.54 0.00 0.00 39.78 34.76 3ffz n ASN 38 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ffz s ILE 39 N -1.43 1.38 -0.10 2.41 1.01 -1.05 0.08 121.20 123.50 3ffz s ILE 39 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3ffz s ILE 39 Cb 0.00 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3ffz s ILE 39 CO 0.00 0.42 -0.15 0.26 0.00 0.00 0.00 174.94 175.47 3ffz s TRP 40 N 0.97 1.89 -0.08 3.97 0.52 -0.79 -2.84 118.94 122.59 3ffz s TRP 40 Ca -0.07 -0.87 -0.21 0.00 0.02 0.00 0.00 56.10 54.97 3ffz s TRP 40 Cb -0.15 -1.37 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 3ffz s TRP 40 CO -0.01 -0.45 0.59 0.42 0.02 0.00 0.00 176.95 177.52 3ffz s ILE 41 N 0.98 5.10 -0.33 2.03 1.01 0.23 -1.57 121.20 128.65 3ffz s ILE 41 Ca -0.07 1.21 0.02 0.00 0.00 0.00 0.00 60.65 61.80 3ffz s ILE 41 Cb -0.15 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.48 3ffz s ILE 41 CO -0.01 0.30 0.04 -0.63 0.00 0.00 0.00 174.94 174.64 3ffz s ILE 42 N 0.65 2.57 -0.85 2.92 1.01 0.25 -1.32 121.20 126.43 3ffz s ILE 42 Ca 0.32 -2.02 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 3ffz s ILE 42 Cb -0.17 -2.73 -0.13 0.00 0.01 0.00 0.00 42.46 39.44 3ffz s ILE 42 CO 0.15 -0.44 1.98 -2.65 0.00 0.00 0.00 174.94 173.97 3ffz n PRO 43 N 4.41 1.69 -3.97 2.79 -0.02 -1.26 -3.69 135.00 134.94 3ffz n PRO 43 Ca -0.03 -1.87 -0.09 0.00 -2.02 0.00 0.00 63.50 59.49 3ffz n PRO 43 Cb 0.42 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 30.90 3ffz n PRO 43 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ffz s GLU 44 N 4.65 0.50 0.38 -0.52 0.41 -1.26 -4.80 118.70 118.07 3ffz s GLU 44 Ca 0.55 -0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 54.04 3ffz s GLU 44 Cb 0.14 0.19 -0.10 0.00 -1.78 0.00 0.00 34.13 32.58 3ffz s GLU 44 CO 0.08 -0.11 1.35 1.03 -0.49 0.00 0.00 175.26 177.12 3ffz s ARG 45 N -2.47 4.10 -0.54 1.61 1.81 -1.26 -0.12 118.95 122.08 3ffz s ARG 45 Ca -0.06 2.27 -0.28 0.00 -1.72 0.00 0.00 55.73 55.94 3ffz s ARG 45 Cb -0.02 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.61 3ffz s ARG 45 CO -0.04 -0.42 1.25 1.21 -0.68 0.00 0.00 175.30 176.61 3ffz s ASN 46 N -0.53 6.41 0.00 0.23 3.84 0.15 -4.76 114.94 120.28 3ffz s ASN 46 Ca 0.54 0.29 0.23 0.00 0.21 0.00 0.00 52.86 54.13 3ffz s ASN 46 Cb -0.41 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 37.81 3ffz s ASN 46 CO 0.53 -1.48 1.13 1.33 -2.79 0.00 0.00 177.10 175.83 3ffz n VAL 47 N 6.79 0.00 -1.60 -5.21 0.24 -1.26 -4.57 118.33 112.73 3ffz n VAL 47 Ca 0.11 -0.25 -0.55 0.00 -2.04 0.00 0.00 64.34 61.61 3ffz n VAL 47 Cb 0.49 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 3ffz n VAL 47 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3ffz n ILE 48 N -0.09 0.05 -0.98 1.34 5.41 -1.26 0.19 119.36 124.02 3ffz n ILE 48 Ca 0.09 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3ffz n ILE 48 Cb 0.46 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 3ffz n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ffz n GLY 49 N 2.62 0.02 3.50 7.39 0.00 -1.26 -4.72 105.19 112.73 3ffz n GLY 49 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3ffz n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ffz n THR 50 N -2.03 0.00 -3.77 2.61 -2.24 0.13 -0.79 114.28 108.20 3ffz n THR 50 Ca 0.00 -1.47 -0.13 0.00 -2.27 0.00 0.00 64.05 60.17 3ffz n THR 50 Cb 0.47 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.68 3ffz n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ffz s THR 51 N -2.67 -0.04 0.36 4.28 2.01 -1.26 -4.96 115.64 113.36 3ffz s THR 51 Ca 0.59 0.15 0.23 0.00 0.31 0.00 0.00 61.69 62.96 3ffz s THR 51 Cb -0.04 -0.22 0.36 0.00 0.01 0.00 0.00 72.50 72.62 3ffz s THR 51 CO 0.39 0.06 1.43 -0.81 -0.69 0.00 0.00 174.62 175.00 3ffz n PRO 52 N 3.96 -0.05 -0.30 4.92 -0.04 -1.26 0.12 135.00 142.35 3ffz n PRO 52 Ca -0.24 1.22 -0.04 0.00 -0.04 0.00 0.00 63.50 64.40 3ffz n PRO 52 Cb 0.53 -2.25 0.07 0.00 -0.04 0.00 0.00 33.50 31.81 3ffz n PRO 52 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3ffz h GLN 53 N 0.00 1.14 -0.02 0.54 1.08 -1.99 -2.69 115.11 113.17 3ffz h GLN 53 Ca 0.78 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.87 3ffz h GLN 53 Cb 2.22 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 29.42 3ffz h GLN 53 CO -0.61 0.83 0.51 -0.44 -0.95 0.00 0.00 178.83 178.17 3ffz h ASP 54 N 1.14 0.00 0.06 1.46 3.32 0.51 -0.23 116.42 122.69 3ffz h ASP 54 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3ffz h ASP 54 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ffz h ASP 54 CO -0.05 0.00 -0.03 0.49 -1.72 0.00 0.00 179.24 177.93 3ffz n PHE 55 N -2.81 0.00 -3.34 4.55 3.72 -1.01 -4.81 117.46 113.75 3ffz n PHE 55 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 3ffz n PHE 55 Cb 0.55 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.00 3ffz n PHE 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3ffz s HIS 56 N -2.10 3.65 -0.14 1.38 3.76 -0.10 -3.95 115.29 117.79 3ffz s HIS 56 Ca 0.39 1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 56.04 3ffz s HIS 56 Cb 0.21 -2.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.37 3ffz s HIS 56 CO 0.38 0.40 1.86 -1.25 -0.85 0.00 0.00 174.74 175.28 3ffz s PRO 57 N -0.26 3.75 1.05 8.40 0.04 -1.26 -4.99 135.00 141.73 3ffz s PRO 57 Ca 0.27 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 3ffz s PRO 57 Cb -0.17 -4.15 0.21 0.00 0.04 0.00 0.00 34.50 30.44 3ffz s PRO 57 CO 0.14 -1.37 1.11 -1.25 0.04 0.00 0.00 177.00 175.66 3ffz s PRO 58 N 4.98 0.03 0.10 0.56 0.04 -1.26 -4.98 135.00 134.46 3ffz s PRO 58 Ca 0.83 0.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 3ffz s PRO 58 Cb -0.32 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 3ffz s PRO 58 CO 0.34 -2.95 1.56 1.15 0.04 0.00 0.00 177.00 177.14 3ffz h THR 59 N -2.05 1.24 -3.79 1.26 2.02 -1.94 -3.47 112.91 106.17 3ffz h THR 59 Ca -0.52 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 65.71 3ffz h THR 59 Cb 1.32 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.88 3ffz h THR 59 CO 0.52 0.26 -0.13 -0.55 0.37 0.00 0.00 175.52 175.99 3ffz s SER 60 N -5.91 0.25 -0.04 4.18 0.15 0.12 -4.93 113.70 107.52 3ffz s SER 60 Ca -0.13 -1.15 -0.01 0.00 0.70 0.00 0.00 55.95 55.36 3ffz s SER 60 Cb 0.08 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 3ffz s SER 60 CO 0.75 -1.22 0.05 -0.76 1.20 0.00 0.00 173.24 173.25 3ffz s LEU 61 N -3.10 3.79 -0.04 3.45 1.02 -1.26 -0.35 118.68 122.18 3ffz s LEU 61 Ca 0.25 0.15 -0.15 0.00 0.02 0.00 0.00 54.13 54.40 3ffz s LEU 61 Cb -0.01 -2.09 -0.09 0.00 0.02 0.00 0.00 46.19 44.02 3ffz s LEU 61 CO 0.13 0.31 0.63 0.11 0.02 0.00 0.00 176.35 177.56 3ffz h LYS 62 N 4.50 -0.41 -5.39 1.70 1.57 -0.32 -3.45 116.57 114.77 3ffz h LYS 62 Ca -0.50 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.76 3ffz h LYS 62 Cb 1.19 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.46 3ffz h LYS 62 CO 0.59 -0.19 -0.60 -0.80 -0.57 0.00 0.00 179.45 177.88 3ffz s ASN 63 N -5.11 3.03 0.00 0.86 -0.87 -1.26 -4.90 114.94 106.69 3ffz s ASN 63 Ca -0.08 -1.39 0.00 0.00 -1.57 0.00 0.00 52.86 49.81 3ffz s ASN 63 Cb 0.01 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 3ffz s ASN 63 CO 0.28 -0.56 0.00 0.61 -2.57 0.00 0.00 177.10 174.85 3ffz n GLY 64 N -0.82 -2.24 0.05 0.66 0.00 -0.93 -4.83 105.19 97.08 3ffz n GLY 64 Ca -0.04 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 3ffz n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ffz n ASP 65 N -0.60 2.91 -3.66 1.61 5.68 -1.26 -4.70 116.55 116.53 3ffz n ASP 65 Ca 0.00 -0.01 -0.14 0.00 -0.50 0.00 0.00 54.79 54.14 3ffz n ASP 65 Cb 0.00 0.52 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 3ffz n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ffz s SER 66 N -4.30 -0.32 0.06 -1.12 1.04 -1.26 0.31 113.70 108.11 3ffz s SER 66 Ca -0.07 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 3ffz s SER 66 Cb 0.03 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.58 3ffz s SER 66 CO 0.33 -0.61 0.24 -0.44 0.98 0.00 0.00 173.24 173.75 3ffz s SER 67 N -1.73 -0.01 -0.21 7.02 0.01 -0.43 -5.01 113.70 113.34 3ffz s SER 67 Ca -0.08 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.79 3ffz s SER 67 Cb -0.02 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.60 3ffz s SER 67 CO 0.01 -0.65 -0.12 -0.47 0.41 0.00 0.00 173.24 172.42 3ffz s TYR 68 N -3.08 2.66 -0.19 2.43 5.04 -1.26 -0.88 117.35 122.07 3ffz s TYR 68 Ca -0.01 -1.77 -0.08 0.00 -2.44 0.00 0.00 57.07 52.77 3ffz s TYR 68 Cb 0.01 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.54 3ffz s TYR 68 CO -0.07 -0.79 0.07 0.71 -1.34 0.00 0.00 175.55 174.14 3ffz s TYR 69 N 1.31 3.24 -0.33 4.97 2.02 0.10 -0.19 117.35 128.47 3ffz s TYR 69 Ca -0.02 0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 3ffz s TYR 69 Cb -0.17 -2.10 0.19 0.00 -0.40 0.00 0.00 41.96 39.49 3ffz s TYR 69 CO -0.08 0.11 0.67 0.34 -1.57 0.00 0.00 175.55 175.02 3ffz s ASP 70 N 0.49 -1.43 0.29 2.29 2.15 -1.26 -4.30 116.67 114.91 3ffz s ASP 70 Ca 0.03 -0.18 -0.01 0.00 0.43 0.00 0.00 52.55 52.82 3ffz s ASP 70 Cb -0.13 1.86 0.45 0.00 -0.30 0.00 0.00 42.92 44.81 3ffz s ASP 70 CO 0.01 -0.22 1.92 -0.65 -0.17 0.00 0.00 175.17 176.06 3ffz h PRO 71 N 7.45 1.09 -0.67 4.34 0.11 -1.92 -2.43 132.00 139.97 3ffz h PRO 71 Ca 0.00 -0.07 0.18 0.00 0.11 0.00 0.00 66.00 66.23 3ffz h PRO 71 Cb 1.19 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3ffz h PRO 71 CO 0.10 0.72 0.47 -0.91 -0.21 0.00 0.00 178.00 178.17 3ffz h ASN 72 N 1.12 0.09 -2.38 -2.05 -0.26 -1.96 -3.44 115.58 106.71 3ffz h ASN 72 Ca 0.37 0.01 -0.61 0.00 -0.56 0.00 0.00 56.30 55.51 3ffz h ASN 72 Cb 0.07 -0.01 0.09 0.00 -1.06 0.00 0.00 38.32 37.41 3ffz h ASN 72 CO -0.12 0.04 0.28 0.00 -1.06 0.00 0.00 177.43 176.58 3ffz n TYR 73 N -4.38 1.50 -3.20 1.19 9.36 -0.92 -2.83 117.16 117.89 3ffz n TYR 73 Ca 0.13 0.64 -0.23 0.00 3.32 0.00 0.00 57.90 61.76 3ffz n TYR 73 Cb 0.68 -2.31 0.04 0.00 -0.63 0.00 0.00 39.34 37.12 3ffz n TYR 73 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3ffz n LEU 74 N 1.63 -2.62 -0.07 2.98 4.77 -1.26 -4.91 117.00 117.52 3ffz n LEU 74 Ca 0.11 -0.36 -0.04 0.00 -0.03 0.00 0.00 56.01 55.69 3ffz n LEU 74 Cb 0.30 -2.85 -0.15 0.00 -2.33 0.00 0.00 43.42 38.39 3ffz n LEU 74 CO 0.61 0.30 -0.99 0.00 -1.33 0.00 0.00 177.39 175.97 3ffz n GLN 75 N -4.17 0.91 -2.88 3.23 1.13 -1.13 -4.63 117.38 109.85 3ffz n GLN 75 Ca -0.07 -0.06 -0.26 0.00 -1.94 0.00 0.00 57.00 54.67 3ffz n GLN 75 Cb 0.60 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.48 3ffz n GLN 75 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ffz s SER 76 N -4.95 6.22 0.00 1.08 1.04 -1.26 -4.96 113.70 110.87 3ffz s SER 76 Ca -0.08 0.74 0.23 0.00 0.48 0.00 0.00 55.95 57.31 3ffz s SER 76 Cb 0.07 -2.12 1.10 0.00 0.10 0.00 0.00 66.02 65.17 3ffz s SER 76 CO 0.76 -0.52 1.74 0.47 0.98 0.00 0.00 173.24 176.67 3ffz n ASP 77 N -2.12 0.00 0.09 7.02 9.92 -1.26 -2.49 116.55 127.71 3ffz n ASP 77 Ca -0.01 0.11 0.09 0.00 -0.53 0.00 0.00 54.79 54.45 3ffz n ASP 77 Cb 0.56 -0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 40.67 3ffz n ASP 77 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3ffz h GLU 78 N 0.00 0.00 0.18 -1.24 4.39 -1.99 -2.73 114.58 113.18 3ffz h GLU 78 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 3ffz h GLU 78 Cb 0.26 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3ffz h GLU 78 CO 0.00 0.06 -1.42 0.93 -1.16 0.00 0.00 179.01 177.42 3ffz h GLU 79 N 0.00 0.37 -0.87 2.33 5.08 -1.88 -3.11 114.58 116.51 3ffz h GLU 79 Ca -0.03 -0.64 0.02 0.00 -1.00 0.00 0.00 59.36 57.71 3ffz h GLU 79 Cb 1.12 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 3ffz h GLU 79 CO 0.01 1.30 0.57 0.87 -1.00 0.00 0.00 179.01 180.77 3ffz h LYS 80 N -0.09 1.10 0.53 2.33 1.57 -1.60 0.15 116.57 120.57 3ffz h LYS 80 Ca -0.28 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 3ffz h LYS 80 Cb 1.94 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 34.01 3ffz h LYS 80 CO 0.16 0.73 -0.26 0.22 -0.57 0.00 0.00 179.45 179.74 3ffz h ASP 81 N 1.13 -0.61 0.25 0.86 3.58 -1.55 -1.54 116.42 118.56 3ffz h ASP 81 Ca 0.33 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 3ffz h ASP 81 Cb -0.07 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 3ffz h ASP 81 CO -0.08 -0.26 -0.13 0.08 -2.88 0.00 0.00 179.24 175.97 3ffz h ARG 82 N -0.99 0.00 0.35 0.28 0.11 -1.43 -0.27 114.38 112.42 3ffz h ARG 82 Ca -0.07 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 3ffz h ARG 82 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3ffz h ARG 82 CO 0.12 0.13 -0.17 0.35 0.10 0.00 0.00 179.97 180.51 3ffz h PHE 83 N 0.00 -0.43 0.00 4.08 3.57 -0.64 0.29 116.94 123.80 3ffz h PHE 83 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3ffz h PHE 83 Cb 0.30 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3ffz h PHE 83 CO 0.00 -0.18 -0.01 1.25 -2.23 0.00 0.00 178.31 177.13 3ffz h LEU 84 N -0.61 0.00 0.20 0.59 5.85 -0.50 0.36 115.31 121.19 3ffz h LEU 84 Ca -0.05 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.34 3ffz h LEU 84 Cb 0.45 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.49 3ffz h LEU 84 CO 0.08 0.01 -1.58 0.11 -0.34 0.00 0.00 178.44 176.72 3ffz h LYS 85 N 0.00 0.42 0.06 1.25 1.57 -0.61 -2.27 116.57 116.98 3ffz h LYS 85 Ca -0.00 -0.71 -0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3ffz h LYS 85 Cb 0.04 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ffz h LYS 85 CO 0.00 1.32 -0.03 0.82 -0.57 0.00 0.00 179.45 181.00 3ffz h ILE 86 N 0.11 1.03 -0.06 1.86 2.04 0.32 0.58 117.51 123.40 3ffz h ILE 86 Ca -0.28 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.30 3ffz h ILE 86 Cb 2.10 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 3ffz h ILE 86 CO 0.21 0.08 -0.12 0.58 0.00 0.00 0.00 178.15 178.90 3ffz h VAL 87 N -0.22 0.68 -0.76 1.67 2.07 -1.06 0.14 116.25 118.77 3ffz h VAL 87 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3ffz h VAL 87 Cb 0.19 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3ffz h VAL 87 CO 0.01 0.00 0.40 0.74 0.02 0.00 0.00 177.57 178.75 3ffz h THR 88 N -0.18 0.87 -0.82 2.57 2.02 -1.29 0.20 112.91 116.26 3ffz h THR 88 Ca 0.06 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3ffz h THR 88 Cb 0.27 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 3ffz h THR 88 CO -0.16 0.12 0.53 0.50 0.37 0.00 0.00 175.52 176.88 3ffz h LYS 89 N 0.68 0.99 -0.14 6.66 3.64 0.10 -0.85 116.57 127.65 3ffz h LYS 89 Ca 0.37 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3ffz h LYS 89 Cb 0.38 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3ffz h LYS 89 CO -0.26 0.66 0.03 0.82 -2.27 0.00 0.00 179.45 178.43 3ffz h ILE 90 N 1.02 1.20 -0.11 2.00 2.04 0.19 -1.56 117.51 122.30 3ffz h ILE 90 Ca 0.33 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ffz h ILE 90 Cb 0.01 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3ffz h ILE 90 CO -0.12 0.19 0.11 -0.26 0.00 0.00 0.00 178.15 178.07 3ffz h PHE 91 N 0.03 0.00 -0.03 1.37 -1.00 -0.35 -0.57 116.94 116.39 3ffz h PHE 91 Ca 0.04 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 3ffz h PHE 91 Cb 0.26 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.82 3ffz h PHE 91 CO 0.01 0.00 -0.35 -0.91 -1.61 0.00 0.00 178.31 175.45 3ffz h ASN 92 N 0.00 0.36 -0.41 2.17 2.35 -0.35 -1.27 115.58 118.43 3ffz h ASN 92 Ca 0.05 -0.71 0.04 0.00 -0.55 0.00 0.00 56.30 55.13 3ffz h ASN 92 Cb 0.26 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3ffz h ASN 92 CO -0.00 1.02 0.28 -0.09 -1.65 0.00 0.00 177.43 176.98 3ffz h ARG 93 N -0.26 0.40 0.47 0.81 2.43 -0.35 0.81 114.38 118.70 3ffz h ARG 93 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3ffz h ARG 93 Cb 1.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3ffz h ARG 93 CO 0.07 0.27 -0.23 0.82 -1.51 0.00 0.00 179.97 179.39 3ffz h ILE 94 N 0.42 0.00 0.00 1.20 2.04 -1.04 -3.29 117.51 116.84 3ffz h ILE 94 Ca 0.17 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3ffz h ILE 94 Cb 0.16 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 3ffz h ILE 94 CO -0.04 0.00 -0.09 -1.13 0.00 0.00 0.00 178.15 176.89 3ffz h ASN 95 N -1.11 0.00 0.18 1.72 -1.24 -1.15 -1.48 115.58 112.50 3ffz h ASN 95 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3ffz h ASN 95 Cb 0.49 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3ffz h ASN 95 CO 0.11 0.09 0.00 -3.20 -1.29 0.00 0.00 177.43 173.14 3ffz n ASN 96 N -4.33 0.28 -4.47 1.15 5.15 0.27 -4.11 115.26 109.20 3ffz n ASN 96 Ca -0.03 0.61 -0.34 0.00 -0.60 0.00 0.00 54.58 54.23 3ffz n ASN 96 Cb 0.17 -0.66 -0.12 0.00 -0.53 0.00 0.00 39.78 38.64 3ffz n ASN 96 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ffz s ASN 97 N -3.52 4.72 0.00 1.20 3.84 -0.56 -5.01 114.94 115.61 3ffz s ASN 97 Ca 0.01 -0.17 -0.00 0.00 0.21 0.00 0.00 52.86 52.91 3ffz s ASN 97 Cb 0.05 -1.77 -0.00 0.00 -0.55 0.00 0.00 41.25 38.98 3ffz s ASN 97 CO 0.16 0.15 0.95 -0.11 -2.79 0.00 0.00 177.10 175.46 3ffz n LEU 98 N 3.68 -0.00 -0.10 3.21 0.00 -1.26 0.18 117.00 122.70 3ffz n LEU 98 Ca -0.17 0.95 -0.06 0.00 0.00 0.00 0.00 56.01 56.73 3ffz n LEU 98 Cb 0.52 -0.47 0.01 0.00 0.00 0.00 0.00 43.42 43.48 3ffz n LEU 98 CO 0.32 -0.47 0.76 -1.28 0.00 0.00 0.00 177.39 176.72 3ffz h SER 99 N 0.00 -0.50 -0.25 1.96 0.87 -1.93 -0.10 113.55 113.60 3ffz h SER 99 Ca 0.00 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3ffz h SER 99 Cb 0.00 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3ffz h SER 99 CO -0.00 -0.18 0.17 1.23 -0.53 0.00 0.00 176.83 177.52 3ffz h GLY 100 N -0.08 0.33 0.91 5.77 0.00 -1.35 -2.82 103.07 105.84 3ffz h GLY 100 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3ffz h GLY 100 CO -0.41 0.11 -0.06 -1.33 0.00 0.00 0.00 176.54 174.85 3ffz h GLY 101 N 0.31 -0.17 0.86 4.60 0.00 0.38 -2.46 103.07 106.58 3ffz h GLY 101 Ca 0.10 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3ffz h GLY 101 CO -0.02 -0.06 0.62 -2.22 0.00 0.00 0.00 176.54 174.86 3ffz h ILE 102 N -0.25 1.15 -0.16 2.60 2.04 -1.21 0.48 117.51 122.16 3ffz h ILE 102 Ca -0.02 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3ffz h ILE 102 Cb 0.20 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 3ffz h ILE 102 CO 0.03 0.22 -0.07 0.25 0.00 0.00 0.00 178.15 178.58 3ffz h LEU 103 N 1.20 -0.24 -0.51 1.44 5.85 -1.37 0.84 115.31 122.52 3ffz h LEU 103 Ca 0.39 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.16 3ffz h LEU 103 Cb 0.02 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3ffz h LEU 103 CO -0.13 -0.10 0.31 -0.07 -0.34 0.00 0.00 178.44 178.11 3ffz h LEU 104 N -0.05 0.62 -0.25 2.25 3.38 -0.90 -1.47 115.31 118.90 3ffz h LEU 104 Ca 0.09 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ffz h LEU 104 Cb 0.18 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3ffz h LEU 104 CO -0.20 0.50 -0.11 -0.08 0.09 0.00 0.00 178.44 178.65 3ffz h GLU 105 N 0.69 -0.08 0.00 1.13 4.57 0.15 -1.70 114.58 119.34 3ffz h GLU 105 Ca 0.18 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 3ffz h GLU 105 Cb -0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3ffz h GLU 105 CO -0.03 -0.05 -0.25 1.49 -1.18 0.00 0.00 179.01 178.98 3ffz h GLU 106 N -0.08 0.00 0.00 1.92 4.57 0.10 -2.53 114.58 118.57 3ffz h GLU 106 Ca 0.13 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 3ffz h GLU 106 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3ffz h GLU 106 CO -0.30 0.25 -0.19 -0.07 -1.18 0.00 0.00 179.01 177.52 3ffz h LEU 107 N 0.00 0.00 -0.24 1.64 3.38 -0.33 -2.83 115.31 116.93 3ffz h LEU 107 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ffz h LEU 107 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ffz h LEU 107 CO 0.03 0.19 -0.27 0.77 0.09 0.00 0.00 178.44 179.26 3ffz h SER 108 N 0.00 0.66 0.90 -0.43 4.64 -1.20 -3.19 113.55 114.92 3ffz h SER 108 Ca -0.00 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3ffz h SER 108 Cb 0.42 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ffz h SER 108 CO 0.03 1.01 -0.05 0.29 -0.87 0.00 0.00 176.83 177.23 3ffz n LYS 109 N -4.33 0.06 -0.01 4.77 4.01 -1.16 -4.24 118.16 117.26 3ffz n LYS 109 Ca -0.05 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 3ffz n LYS 109 Cb 0.46 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 3ffz n LYS 109 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ffz n ALA 110 N -1.47 1.77 -1.64 7.82 0.00 -1.08 -4.87 120.51 121.05 3ffz n ALA 110 Ca 0.08 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 52.90 3ffz n ALA 110 Cb 0.33 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 3ffz n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ffz n ASN 111 N 0.93 0.93 -4.77 0.00 3.02 -1.26 -4.71 115.26 109.41 3ffz n ASN 111 Ca 0.00 1.16 -0.38 0.00 -0.03 0.00 0.00 54.58 55.33 3ffz n ASN 111 Cb 0.13 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.31 3ffz n ASN 111 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ffz s PRO 112 N 1.71 4.25 0.44 3.52 0.04 -1.26 -4.97 135.00 138.73 3ffz s PRO 112 Ca 0.97 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 63.50 3ffz s PRO 112 Cb -1.31 -2.78 -0.08 0.00 0.04 0.00 0.00 34.50 30.37 3ffz s PRO 112 CO 0.68 -0.12 1.29 -0.47 0.04 0.00 0.00 177.00 178.42 3ffz s TYR 113 N -1.42 2.74 -0.85 0.56 5.04 -0.68 -4.93 117.35 117.81 3ffz s TYR 113 Ca 0.54 1.42 -0.24 0.00 -2.44 0.00 0.00 57.07 56.35 3ffz s TYR 113 Cb -0.29 -3.65 0.06 0.00 0.35 0.00 0.00 41.96 38.43 3ffz s TYR 113 CO 0.36 -2.14 1.25 -0.51 -1.34 0.00 0.00 175.55 173.17 3ffz s LEU 114 N -2.69 3.81 0.00 6.97 1.43 -1.26 -4.81 118.68 122.13 3ffz s LEU 114 Ca 0.60 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3ffz s LEU 114 Cb -0.37 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3ffz s LEU 114 CO 0.47 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 176.13 3ffz n GLY 115 N 5.88 2.33 0.00 -3.19 0.00 -1.18 -3.26 105.19 105.77 3ffz n GLY 115 Ca 0.15 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3ffz n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ffz n ASN 116 N 0.00 0.00 -1.73 1.61 6.94 -1.26 -4.87 115.26 115.94 3ffz n ASN 116 Ca 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 54.58 54.06 3ffz n ASN 116 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 3ffz n ASN 116 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3ffz n ASP 117 N -0.71 3.90 -0.42 0.53 8.00 -1.26 -2.48 116.55 124.10 3ffz n ASP 117 Ca 0.00 -2.07 -0.01 0.00 0.71 0.00 0.00 54.79 53.43 3ffz n ASP 117 Cb 0.00 -0.87 -0.01 0.00 -0.02 0.00 0.00 41.12 40.23 3ffz n ASP 117 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ffz n ASN 118 N 1.83 -0.09 -4.07 -2.24 5.03 -1.26 -5.13 115.26 109.33 3ffz n ASN 118 Ca 0.06 -0.80 -0.16 0.00 0.87 0.00 0.00 54.58 54.55 3ffz n ASN 118 Cb 0.43 0.03 -0.13 0.00 -1.02 0.00 0.00 39.78 39.09 3ffz n ASN 118 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3ffz s THR 119 N 0.00 0.71 0.03 3.41 -4.23 -1.04 -5.11 115.64 109.42 3ffz s THR 119 Ca 0.00 -0.86 -0.34 0.00 -1.18 0.00 0.00 61.69 59.31 3ffz s THR 119 Cb 0.00 -0.69 -0.13 0.00 1.34 0.00 0.00 72.50 73.02 3ffz s THR 119 CO 0.00 -0.14 1.73 -0.81 -0.54 0.00 0.00 174.62 174.87 3ffz n PRO 120 N 1.94 2.16 0.25 3.99 -0.04 -1.26 -4.77 135.00 137.27 3ffz n PRO 120 Ca -0.19 0.79 -0.18 0.00 -0.04 0.00 0.00 63.50 63.88 3ffz n PRO 120 Cb 0.55 -2.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 3ffz n PRO 120 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ffz h ASP 121 N 7.61 -1.40 0.00 3.54 5.19 -1.93 -3.10 116.42 126.33 3ffz h ASP 121 Ca -0.47 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 3ffz h ASP 121 Cb 1.26 0.48 0.00 0.00 0.18 0.00 0.00 39.33 41.25 3ffz h ASP 121 CO 0.92 -0.64 0.00 -0.46 -3.12 0.00 0.00 179.24 175.94 3ffz n ASN 122 N -5.55 0.00 -3.77 6.45 0.23 -1.05 -4.54 115.26 107.04 3ffz n ASN 122 Ca -0.11 -0.04 -0.13 0.00 -0.53 0.00 0.00 54.58 53.77 3ffz n ASN 122 Cb 0.45 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.04 3ffz n ASN 122 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ffz s GLN 123 N -2.00 0.37 1.16 -3.83 -2.07 -1.17 -2.04 119.66 110.08 3ffz s GLN 123 Ca 0.00 0.42 -0.13 0.00 -1.82 0.00 0.00 55.36 53.84 3ffz s GLN 123 Cb 0.00 0.18 0.28 0.00 -1.09 0.00 0.00 33.01 32.38 3ffz s GLN 123 CO 0.00 -0.05 1.03 -0.06 -1.32 0.00 0.00 175.29 174.90 3ffz s PHE 124 N 0.14 1.31 -0.21 9.60 0.08 -1.26 -4.73 117.98 122.91 3ffz s PHE 124 Ca -0.00 1.25 -0.18 0.00 0.12 0.00 0.00 56.93 58.12 3ffz s PHE 124 Cb -0.02 -3.11 0.06 0.00 -0.57 0.00 0.00 43.02 39.37 3ffz s PHE 124 CO 0.00 -3.88 0.55 -1.58 -0.10 0.00 0.00 175.22 170.22 3ffz s HIS 125 N -2.44 -0.65 -0.21 0.36 5.65 -1.20 -4.98 115.29 111.82 3ffz s HIS 125 Ca 0.69 1.52 -0.01 0.00 0.25 0.00 0.00 55.06 57.50 3ffz s HIS 125 Cb -0.25 0.25 0.01 0.00 -1.18 0.00 0.00 32.58 31.41 3ffz s HIS 125 CO 0.65 -0.32 -0.11 0.42 -0.65 0.00 0.00 174.74 174.72 3ffz s ILE 126 N 0.51 2.67 0.17 0.89 1.09 -1.26 -3.11 121.20 122.16 3ffz s ILE 126 Ca -0.02 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.71 3ffz s ILE 126 Cb -0.04 -2.23 -0.01 0.00 -1.06 0.00 0.00 42.46 39.12 3ffz s ILE 126 CO -0.02 0.40 0.06 0.61 -0.10 0.00 0.00 174.94 175.89 3ffz n GLY 127 N 4.68 3.74 0.01 6.18 0.00 -1.26 -4.74 105.19 113.80 3ffz n GLY 127 Ca -0.19 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 43.85 3ffz n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ffz n ASP 128 N -1.85 0.04 -0.22 1.61 8.00 -1.26 -1.11 116.55 121.75 3ffz n ASP 128 Ca -0.02 0.49 0.13 0.00 0.71 0.00 0.00 54.79 56.09 3ffz n ASP 128 Cb 0.25 -0.49 0.32 0.00 -0.02 0.00 0.00 41.12 41.18 3ffz n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ffz n ALA 129 N -1.49 3.22 0.00 2.24 0.00 -1.26 -4.38 120.51 118.84 3ffz n ALA 129 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3ffz n ALA 129 Cb 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3ffz n ALA 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ffz n SER 130 N -0.76 4.69 -3.98 0.00 7.64 -0.27 -2.75 113.62 118.20 3ffz n SER 130 Ca 0.11 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 3ffz n SER 130 Cb 0.35 0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 63.93 3ffz n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ffz s ALA 131 N -1.94 0.16 0.17 -0.43 0.00 -1.05 -3.91 121.76 114.76 3ffz s ALA 131 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.13 3ffz s ALA 131 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3ffz s ALA 131 CO 0.00 -0.41 -0.14 0.14 0.00 0.00 0.00 175.76 175.34 3ffz s VAL 132 N -3.71 1.60 0.19 0.00 -7.23 0.09 -4.50 120.40 106.84 3ffz s VAL 132 Ca 0.05 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3ffz s VAL 132 Cb 0.06 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 3ffz s VAL 132 CO -0.10 -0.53 1.21 -1.61 -0.31 0.00 0.00 175.10 173.76 3ffz s GLU 133 N -3.32 4.48 0.21 4.82 2.02 -1.25 -0.81 118.70 124.85 3ffz s GLU 133 Ca 0.18 1.90 0.02 0.00 0.02 0.00 0.00 54.97 57.09 3ffz s GLU 133 Cb -0.02 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 3ffz s GLU 133 CO 0.05 -0.10 0.03 0.96 0.02 0.00 0.00 175.26 176.22 3ffz s ILE 134 N -0.10 0.76 -0.03 -1.63 -4.36 -0.63 -1.36 121.20 113.86 3ffz s ILE 134 Ca 0.53 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.86 3ffz s ILE 134 Cb -0.33 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.06 3ffz s ILE 134 CO 0.37 -0.30 0.13 -0.54 0.24 0.00 0.00 174.94 174.84 3ffz s LYS 135 N -3.93 0.27 0.43 0.37 1.02 -0.96 -0.79 119.74 116.15 3ffz s LYS 135 Ca 0.29 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.28 3ffz s LYS 135 Cb 0.06 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 3ffz s LYS 135 CO 0.08 -0.05 0.62 -0.06 -0.92 0.00 0.00 175.35 175.02 3ffz s PHE 136 N -0.46 3.06 0.59 3.18 0.08 0.28 -2.61 117.98 122.10 3ffz s PHE 136 Ca -0.05 -0.04 0.25 0.00 0.12 0.00 0.00 56.93 57.21 3ffz s PHE 136 Cb -0.04 -2.31 0.87 0.00 -0.57 0.00 0.00 43.02 40.97 3ffz s PHE 136 CO 0.01 -0.36 1.25 -1.13 -0.10 0.00 0.00 175.22 174.88 3ffz n SER 137 N -1.96 0.00 -1.91 1.36 3.41 -1.26 -0.19 113.62 113.06 3ffz n SER 137 Ca 0.03 0.73 -0.19 0.00 -0.26 0.00 0.00 58.87 59.18 3ffz n SER 137 Cb 0.58 -0.25 0.17 0.00 -0.26 0.00 0.00 64.21 64.46 3ffz n SER 137 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ffz n ASN 138 N -3.17 3.74 0.00 4.04 6.94 -1.26 -4.91 115.26 120.65 3ffz n ASN 138 Ca 0.22 -3.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.09 3ffz n ASN 138 Cb 1.48 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 38.12 3ffz n ASN 138 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ffz n GLY 139 N -1.11 0.24 3.67 4.83 0.00 0.73 -4.95 105.19 108.61 3ffz n GLY 139 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 3ffz n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ffz s SER 140 N -2.16 6.83 -0.10 1.61 0.15 -1.23 -4.78 113.70 114.02 3ffz s SER 140 Ca 0.00 1.99 -0.17 0.00 0.70 0.00 0.00 55.95 58.47 3ffz s SER 140 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 3ffz s SER 140 CO 0.00 -0.79 0.45 -1.58 1.20 0.00 0.00 173.24 172.52 3ffz s GLN 141 N 3.28 4.26 0.00 5.44 0.74 -1.26 -0.56 119.66 131.57 3ffz s GLN 141 Ca 0.63 0.42 0.00 0.00 0.05 0.00 0.00 55.36 56.46 3ffz s GLN 141 Cb -0.28 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.43 3ffz s GLN 141 CO 0.23 0.27 0.00 -0.25 -0.55 0.00 0.00 175.29 174.99 3ffz n ASP 142 N 3.30 0.00 -3.82 6.67 8.00 0.03 -4.93 116.55 125.80 3ffz n ASP 142 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3ffz n ASP 142 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 3ffz n ASP 142 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3ffz s ILE 143 N -1.23 0.01 -0.02 0.53 -4.36 -1.06 -1.60 121.20 113.48 3ffz s ILE 143 Ca 0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.30 3ffz s ILE 143 Cb 0.00 -0.27 -0.03 0.00 1.25 0.00 0.00 42.46 43.40 3ffz s ILE 143 CO 0.00 -0.06 -0.03 -0.22 0.24 0.00 0.00 174.94 174.87 3ffz s LEU 144 N -0.14 3.35 -0.78 0.37 2.96 0.01 -4.02 118.68 120.43 3ffz s LEU 144 Ca -0.02 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3ffz s LEU 144 Cb -0.02 -1.87 0.19 0.00 0.50 0.00 0.00 46.19 44.99 3ffz s LEU 144 CO 0.00 0.31 0.63 -0.76 -1.32 0.00 0.00 176.35 175.21 3ffz s LEU 145 N -1.31 5.29 0.24 -0.68 1.43 -1.14 -0.73 118.68 121.78 3ffz s LEU 145 Ca 0.17 -3.54 0.04 0.00 -1.03 0.00 0.00 54.13 49.77 3ffz s LEU 145 Cb -0.11 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3ffz s LEU 145 CO 0.07 -0.20 0.38 -2.16 0.23 0.00 0.00 176.35 174.66 3ffz s PRO 146 N -1.05 3.45 -0.20 1.29 0.04 -1.25 -4.19 135.00 133.08 3ffz s PRO 146 Ca 0.24 -0.66 -0.20 0.00 0.04 0.00 0.00 61.00 60.42 3ffz s PRO 146 Cb -0.10 -2.87 -0.20 0.00 0.04 0.00 0.00 34.50 31.37 3ffz s PRO 146 CO -0.11 0.40 0.22 0.09 0.04 0.00 0.00 177.00 177.64 3ffz n ASN 147 N -1.30 1.89 -3.93 6.66 3.02 0.11 -4.74 115.26 116.97 3ffz n ASN 147 Ca -0.08 0.40 -0.22 0.00 -0.03 0.00 0.00 54.58 54.65 3ffz n ASN 147 Cb 0.56 -0.96 -0.17 0.00 -0.61 0.00 0.00 39.78 38.61 3ffz n ASN 147 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ffz s VAL 148 N -2.38 0.76 -0.26 2.41 1.01 -0.86 -0.55 120.40 120.53 3ffz s VAL 148 Ca -0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ffz s VAL 148 Cb 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3ffz s VAL 148 CO 0.61 0.28 -0.02 -0.63 0.00 0.00 0.00 175.10 175.34 3ffz s ILE 149 N 0.96 3.26 -0.41 2.22 1.01 0.13 -1.88 121.20 126.49 3ffz s ILE 149 Ca -0.10 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 3ffz s ILE 149 Cb -0.15 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ffz s ILE 149 CO 0.00 0.19 0.48 -0.63 0.00 0.00 0.00 174.94 174.98 3ffz s ILE 150 N 1.40 5.04 0.37 2.92 1.01 -0.61 -1.36 121.20 129.97 3ffz s ILE 150 Ca 0.02 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.59 3ffz s ILE 150 Cb -0.16 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.33 3ffz s ILE 150 CO -0.02 -0.40 0.51 0.23 0.00 0.00 0.00 174.94 175.26 3ffz n MET 151 N 5.72 0.75 -4.11 2.79 2.81 0.20 -0.58 117.12 124.70 3ffz n MET 151 Ca -0.06 -2.03 -0.23 0.00 -1.81 0.00 0.00 57.70 53.57 3ffz n MET 151 Cb 0.48 -0.14 -0.05 0.00 -0.71 0.00 0.00 33.22 32.81 3ffz n MET 151 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ffz s GLY 152 N -3.68 1.46 0.00 3.03 0.00 0.82 -2.06 107.32 106.89 3ffz s GLY 152 Ca 0.39 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3ffz s GLY 152 CO 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 173.10 171.92 3ffz n ALA 153 N -1.04 -0.90 -1.97 3.20 0.00 -0.94 0.31 120.51 119.17 3ffz n ALA 153 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ffz n ALA 153 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3ffz n ALA 153 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3ffz n GLU 154 N 0.00 1.36 -0.32 0.00 0.28 -1.26 -1.90 120.64 118.80 3ffz n GLU 154 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 3ffz n GLU 154 Cb 0.00 0.00 0.26 0.00 1.43 0.00 0.00 31.44 33.13 3ffz n GLU 154 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3ffz h PRO 155 N 0.00 0.66 -5.06 3.44 0.11 -1.87 -3.35 132.00 125.93 3ffz h PRO 155 Ca 0.00 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.40 3ffz h PRO 155 Cb 0.00 -0.15 -0.17 0.00 0.11 0.00 0.00 31.00 30.79 3ffz h PRO 155 CO 0.00 0.44 -0.15 0.34 -0.21 0.00 0.00 178.00 178.42 3ffz s ASP 156 N -5.43 6.24 0.00 -2.05 2.15 -1.26 -4.13 116.67 112.19 3ffz s ASP 156 Ca -0.12 -0.32 0.07 0.00 0.43 0.00 0.00 52.55 52.61 3ffz s ASP 156 Cb 0.23 -2.24 0.31 0.00 -0.30 0.00 0.00 42.92 40.91 3ffz s ASP 156 CO 0.79 -0.50 1.13 0.18 -0.17 0.00 0.00 175.17 176.60 3ffz n LEU 157 N 5.65 0.00 0.14 -1.34 4.32 0.74 -1.84 117.00 124.67 3ffz n LEU 157 Ca -0.06 0.39 0.07 0.00 -0.02 0.00 0.00 56.01 56.38 3ffz n LEU 157 Cb 0.48 -0.39 0.04 0.00 -1.62 0.00 0.00 43.42 41.94 3ffz n LEU 157 CO 0.45 -0.30 0.35 -0.26 -1.22 0.00 0.00 177.39 176.41 3ffz h PHE 158 N 0.00 0.00 -3.96 -1.77 0.04 -1.92 -3.45 116.94 105.89 3ffz h PHE 158 Ca 0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 3ffz h PHE 158 Cb 0.08 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.28 3ffz h PHE 158 CO 0.00 0.27 0.48 -1.21 -0.60 0.00 0.00 178.31 177.25 3ffz s GLU 159 N -3.11 4.04 -0.26 1.51 0.41 -0.76 -4.98 118.70 115.55 3ffz s GLU 159 Ca 0.03 1.75 -0.02 0.00 -0.41 0.00 0.00 54.97 56.31 3ffz s GLU 159 Cb 0.07 -2.60 0.15 0.00 -1.78 0.00 0.00 34.13 29.97 3ffz s GLU 159 CO 0.74 -0.31 0.43 0.99 -0.49 0.00 0.00 175.26 176.63 3ffz s THR 160 N -1.49 -0.70 0.21 3.63 2.01 -1.26 -3.98 115.64 114.05 3ffz s THR 160 Ca 0.58 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 3ffz s THR 160 Cb -0.28 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3ffz s THR 160 CO 0.35 -0.11 0.27 0.54 -0.69 0.00 0.00 174.62 174.99 3ffz s ASN 161 N 2.62 0.06 -0.03 3.53 2.20 -0.58 -4.97 114.94 117.77 3ffz s ASN 161 Ca 0.14 -1.13 0.03 0.00 -0.94 0.00 0.00 52.86 50.97 3ffz s ASN 161 Cb -0.15 0.46 -0.00 0.00 -2.00 0.00 0.00 41.25 39.56 3ffz s ASN 161 CO -0.18 -0.95 -0.12 -0.55 -2.94 0.00 0.00 177.10 172.36 3ffz s SER 162 N -3.07 1.55 -0.07 3.54 0.15 -1.26 0.61 113.70 115.14 3ffz s SER 162 Ca 0.28 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.64 3ffz s SER 162 Cb 0.04 -0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.00 3ffz s SER 162 CO 0.08 0.11 0.17 -0.94 1.20 0.00 0.00 173.24 173.86 3ffz s SER 163 N 0.06 -0.17 0.42 5.45 1.04 -1.13 -5.00 113.70 114.37 3ffz s SER 163 Ca -0.02 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 3ffz s SER 163 Cb -0.09 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3ffz s SER 163 CO 0.01 -0.11 0.70 0.20 0.98 0.00 0.00 173.24 175.01 3ffz s ASN 164 N 0.68 6.32 0.25 7.02 -0.87 -1.26 -1.18 114.94 125.90 3ffz s ASN 164 Ca -0.05 0.80 -0.31 0.00 -1.57 0.00 0.00 52.86 51.73 3ffz s ASN 164 Cb -0.06 -2.19 -0.12 0.00 -0.02 0.00 0.00 41.25 38.86 3ffz s ASN 164 CO -0.04 -0.44 1.64 -0.63 -2.57 0.00 0.00 177.10 175.06 3ffz s ILE 165 N -2.52 2.07 -0.06 0.60 1.01 -0.59 -4.93 121.20 116.79 3ffz s ILE 165 Ca 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 3ffz s ILE 165 Cb -0.10 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3ffz s ILE 165 CO 0.40 0.01 0.04 -0.55 0.00 0.00 0.00 174.94 174.83 3ffz s SER 166 N 0.79 5.46 0.43 3.58 0.15 -1.26 -4.56 113.70 118.28 3ffz s SER 166 Ca 0.68 0.17 0.08 0.00 0.70 0.00 0.00 55.95 57.57 3ffz s SER 166 Cb -0.48 -1.56 0.01 0.00 -1.71 0.00 0.00 66.02 62.27 3ffz s SER 166 CO 0.41 0.35 0.58 -0.76 1.20 0.00 0.00 173.24 175.02 3ffz s LEU 167 N -1.16 3.63 0.69 3.45 1.02 -0.74 -2.51 118.68 123.06 3ffz s LEU 167 Ca 0.16 -0.40 -0.15 0.00 0.02 0.00 0.00 54.13 53.76 3ffz s LEU 167 Cb -0.12 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.45 3ffz s LEU 167 CO 0.06 -0.79 1.16 -0.60 0.02 0.00 0.00 176.35 176.19 3ffz s ARG 168 N -4.38 2.48 -1.01 1.70 3.52 0.14 -3.72 118.95 117.69 3ffz s ARG 168 Ca 0.55 1.57 -0.07 0.00 -0.13 0.00 0.00 55.73 57.66 3ffz s ARG 168 Cb -0.10 -1.89 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 3ffz s ARG 168 CO 0.33 -1.53 0.88 -1.71 -0.81 0.00 0.00 175.30 172.46 3ffz n ASN 169 N -2.56 -5.22 -1.36 -2.12 2.85 -1.26 -3.34 115.26 102.24 3ffz n ASN 169 Ca 0.12 -0.40 -0.17 0.00 -0.11 0.00 0.00 54.58 54.01 3ffz n ASN 169 Cb 0.51 -3.86 -0.07 0.00 1.24 0.00 0.00 39.78 37.60 3ffz n ASN 169 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3ffz n ASN 170 N -1.86 -5.10 -4.84 1.20 3.02 -1.26 -5.00 115.26 101.44 3ffz n ASN 170 Ca 0.00 0.41 -0.37 0.00 -0.03 0.00 0.00 54.58 54.60 3ffz n ASN 170 Cb 0.55 -4.13 -0.07 0.00 -0.61 0.00 0.00 39.78 35.52 3ffz n ASN 170 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ffz s TYR 171 N -2.66 3.53 -0.32 3.10 5.04 -1.21 -5.03 117.35 119.80 3ffz s TYR 171 Ca 0.00 0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 3ffz s TYR 171 Cb 0.00 -1.95 0.10 0.00 0.35 0.00 0.00 41.96 40.46 3ffz s TYR 171 CO 0.00 0.66 0.10 -1.64 -1.34 0.00 0.00 175.55 173.33 3ffz s MET 172 N -0.86 0.76 0.31 4.97 -1.94 -1.26 -1.79 119.30 119.49 3ffz s MET 172 Ca 0.14 -1.13 0.09 0.00 -1.71 0.00 0.00 55.69 53.07 3ffz s MET 172 Cb -0.12 -2.04 0.93 0.00 2.01 0.00 0.00 34.83 35.60 3ffz s MET 172 CO 0.03 -0.99 1.47 -2.30 -0.01 0.00 0.00 175.02 173.22 3ffz n PRO 173 N 4.78 -0.07 0.13 2.03 -0.02 -1.26 0.07 135.00 140.67 3ffz n PRO 173 Ca -0.01 1.36 0.11 0.00 -2.02 0.00 0.00 63.50 62.94 3ffz n PRO 173 Cb 0.42 -2.26 0.50 0.00 -0.02 0.00 0.00 33.50 32.14 3ffz n PRO 173 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ffz n SER 174 N -5.28 0.62 0.13 2.55 3.41 -1.25 -2.18 113.62 111.62 3ffz n SER 174 Ca 0.27 0.68 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 3ffz n SER 174 Cb 0.91 -0.80 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3ffz n SER 174 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ffz h ASN 175 N 0.00 0.00 -2.16 4.04 2.35 -0.53 -1.47 115.58 117.81 3ffz h ASN 175 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 3ffz h ASN 175 Cb 0.28 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.23 3ffz h ASN 175 CO 0.00 0.39 -0.73 1.41 -1.65 0.00 0.00 177.43 176.85 3ffz n HIS 176 N -3.11 2.78 0.00 1.19 8.25 -0.93 -2.66 115.22 120.75 3ffz n HIS 176 Ca 0.00 -4.00 0.00 0.00 -0.26 0.00 0.00 57.72 53.47 3ffz n HIS 176 Cb 0.70 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3ffz n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ffz n GLY 177 N 0.70 0.00 0.11 -1.41 0.00 0.29 -4.63 105.19 100.25 3ffz n GLY 177 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 3ffz n GLY 177 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ffz h PHE 178 N 0.00 -0.47 0.00 1.61 0.04 -1.82 -3.15 116.94 113.15 3ffz h PHE 178 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3ffz h PHE 178 Cb 0.00 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3ffz h PHE 178 CO 0.00 -0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.02 3ffz n GLY 179 N -1.07 -0.30 3.58 -1.45 0.00 -0.97 -1.68 105.19 103.29 3ffz n GLY 179 Ca 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 3ffz n GLY 179 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ffz s SER 180 N -0.38 -0.21 0.35 1.61 0.15 -1.09 -3.87 113.70 110.27 3ffz s SER 180 Ca 0.00 0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.45 3ffz s SER 180 Cb 0.00 0.20 -0.11 0.00 -1.71 0.00 0.00 66.02 64.40 3ffz s SER 180 CO 0.00 -0.29 1.45 -0.63 1.20 0.00 0.00 173.24 174.97 3ffz s ILE 181 N -2.06 2.25 -0.09 6.45 1.01 -1.11 -4.12 121.20 123.53 3ffz s ILE 181 Ca 0.06 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 3ffz s ILE 181 Cb -0.01 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3ffz s ILE 181 CO -0.05 0.05 0.41 0.00 0.00 0.00 0.00 174.94 175.36 3ffz s ALA 182 N -0.93 3.57 -0.44 9.38 0.00 0.29 -1.54 121.76 132.09 3ffz s ALA 182 Ca 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3ffz s ALA 182 Cb -0.45 -2.51 0.12 0.00 0.00 0.00 0.00 23.12 20.28 3ffz s ALA 182 CO 0.58 0.17 0.21 0.42 0.00 0.00 0.00 175.76 177.13 3ffz s ILE 183 N 0.07 3.05 -0.28 0.00 -1.09 -0.32 0.22 121.20 122.85 3ffz s ILE 183 Ca 0.23 -2.38 -0.23 0.00 -2.23 0.00 0.00 60.65 56.04 3ffz s ILE 183 Cb -0.15 -3.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3ffz s ILE 183 CO 0.10 -0.71 0.78 -0.69 -1.23 0.00 0.00 174.94 173.18 3ffz s VAL 184 N 0.77 4.83 -0.35 2.92 1.01 -0.46 -2.84 120.40 126.27 3ffz s VAL 184 Ca 0.11 1.26 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3ffz s VAL 184 Cb -0.22 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3ffz s VAL 184 CO -0.05 -0.17 0.70 -0.89 0.00 0.00 0.00 175.10 174.69 3ffz s THR 185 N 2.87 4.83 -0.08 3.92 2.01 0.20 -0.63 115.64 128.76 3ffz s THR 185 Ca 0.32 0.77 0.04 0.00 0.31 0.00 0.00 61.69 63.13 3ffz s THR 185 Cb -0.15 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 3ffz s THR 185 CO 0.11 -0.34 -0.21 0.12 -0.69 0.00 0.00 174.62 173.61 3ffz s PHE 186 N 2.86 2.25 -0.58 4.92 5.36 -0.87 -1.52 117.98 130.39 3ffz s PHE 186 Ca 0.28 -0.84 0.05 0.00 -0.96 0.00 0.00 56.93 55.47 3ffz s PHE 186 Cb -0.14 -1.51 0.20 0.00 -0.34 0.00 0.00 43.02 41.23 3ffz s PHE 186 CO 0.15 -0.33 0.53 0.45 -1.46 0.00 0.00 175.22 174.57 3ffz n SER 187 N 3.42 2.09 0.01 6.13 2.88 -1.26 -2.22 113.62 124.67 3ffz n SER 187 Ca -0.19 -3.03 0.21 0.00 -1.33 0.00 0.00 58.87 54.53 3ffz n SER 187 Cb 0.53 -0.68 0.71 0.00 -0.75 0.00 0.00 64.21 64.02 3ffz n SER 187 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3ffz h PRO 188 N 4.92 0.00 -0.03 -1.46 0.13 -1.93 -3.05 132.00 130.59 3ffz h PRO 188 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ffz h PRO 188 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ffz h PRO 188 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 3ffz n GLU 189 N -4.24 1.41 -4.78 0.86 1.02 -1.26 -4.81 120.64 108.84 3ffz n GLU 189 Ca 0.10 -0.60 -0.26 0.00 -0.02 0.00 0.00 57.16 56.38 3ffz n GLU 189 Cb 0.62 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 3ffz n GLU 189 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ffz s TYR 190 N -1.98 1.79 0.14 -0.32 1.51 -1.15 -0.13 117.35 117.20 3ffz s TYR 190 Ca 0.40 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 56.10 3ffz s TYR 190 Cb 0.20 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 3ffz s TYR 190 CO 0.33 0.04 0.18 0.45 -1.11 0.00 0.00 175.55 175.44 3ffz n SER 191 N 2.18 -0.51 -4.18 2.29 2.88 -0.64 -4.92 113.62 110.72 3ffz n SER 191 Ca -0.16 -1.75 -0.17 0.00 -1.33 0.00 0.00 58.87 55.46 3ffz n SER 191 Cb 0.53 0.96 -0.11 0.00 -0.75 0.00 0.00 64.21 64.84 3ffz n SER 191 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3ffz s PHE 192 N -4.05 1.16 0.01 0.66 -0.12 -1.26 -0.90 117.98 113.47 3ffz s PHE 192 Ca 0.12 -0.54 -0.18 0.00 -0.05 0.00 0.00 56.93 56.27 3ffz s PHE 192 Cb -0.00 -0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 41.69 3ffz s PHE 192 CO 0.08 0.04 0.52 0.50 -0.05 0.00 0.00 175.22 176.32 3ffz s ARG 193 N -2.25 4.18 0.22 1.99 3.52 -0.46 -2.04 118.95 124.11 3ffz s ARG 193 Ca 0.02 0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 56.14 3ffz s ARG 193 Cb -0.07 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3ffz s ARG 193 CO 0.02 0.52 0.36 -0.59 -0.81 0.00 0.00 175.30 174.79 3ffz s PHE 194 N -0.62 0.55 0.06 5.12 -0.12 0.46 -3.83 117.98 119.60 3ffz s PHE 194 Ca 0.28 -0.88 -0.26 0.00 -0.05 0.00 0.00 56.93 56.02 3ffz s PHE 194 Cb -0.18 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.25 3ffz s PHE 194 CO 0.16 -0.86 0.65 0.54 -0.05 0.00 0.00 175.22 175.67 3ffz s ASN 195 N -3.04 -0.59 0.00 1.98 4.22 -1.26 -0.91 114.94 115.34 3ffz s ASN 195 Ca 0.25 0.28 0.00 0.00 -2.14 0.00 0.00 52.86 51.25 3ffz s ASN 195 Cb 0.02 0.56 0.00 0.00 1.28 0.00 0.00 41.25 43.11 3ffz s ASN 195 CO 0.08 -0.80 0.24 0.47 -2.04 0.00 0.00 177.10 175.05 3ffz n ASP 196 N 0.14 0.00 -0.09 3.54 8.00 -1.26 -4.83 116.55 122.05 3ffz n ASP 196 Ca -0.17 -1.06 0.07 0.00 0.71 0.00 0.00 54.79 54.34 3ffz n ASP 196 Cb 0.62 -0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.80 3ffz n ASP 196 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ffz n ASN 197 N 0.00 2.04 0.00 -2.24 3.02 -1.26 -4.99 115.26 111.83 3ffz n ASN 197 Ca 0.00 -2.74 0.00 0.00 -0.03 0.00 0.00 54.58 51.81 3ffz n ASN 197 Cb 0.51 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3ffz n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ffz h MET 199 N 0.00 0.17 -6.59 0.00 1.85 -1.98 -3.47 114.93 104.91 3ffz h MET 199 Ca 0.00 -0.29 -0.55 0.00 -0.61 0.00 0.00 59.70 58.24 3ffz h MET 199 Cb 0.00 0.11 0.06 0.00 0.43 0.00 0.00 31.60 32.20 3ffz h MET 199 CO 0.00 1.14 0.89 0.09 -0.40 0.00 0.00 176.91 178.63 3ffz n ASN 200 N -4.12 3.51 -4.19 1.39 4.13 -1.26 -5.00 115.26 109.71 3ffz n ASN 200 Ca -0.23 1.08 -0.32 0.00 1.68 0.00 0.00 54.58 56.78 3ffz n ASN 200 Cb 0.80 -1.50 -0.17 0.00 -1.54 0.00 0.00 39.78 37.37 3ffz n ASN 200 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3ffz s GLU 201 N 0.91 3.02 0.35 3.52 2.02 -1.26 -4.58 118.70 122.68 3ffz s GLU 201 Ca 0.76 -0.86 0.09 0.00 0.02 0.00 0.00 54.97 54.98 3ffz s GLU 201 Cb -0.59 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 3ffz s GLU 201 CO 0.36 0.08 -0.05 -0.06 0.02 0.00 0.00 175.26 175.62 3ffz s PHE 202 N 0.57 2.46 -0.04 1.61 0.08 -0.09 -1.00 117.98 121.57 3ffz s PHE 202 Ca -0.13 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.45 3ffz s PHE 202 Cb -0.17 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3ffz s PHE 202 CO 0.04 0.53 -0.14 0.42 -0.10 0.00 0.00 175.22 175.96 3ffz s ILE 203 N -2.60 3.05 0.22 0.64 1.09 0.25 -0.40 121.20 123.45 3ffz s ILE 203 Ca 0.34 -0.75 -0.30 0.00 -1.10 0.00 0.00 60.65 58.83 3ffz s ILE 203 Cb 0.03 -2.20 -0.09 0.00 -1.06 0.00 0.00 42.46 39.14 3ffz s ILE 203 CO 0.17 0.57 1.38 -1.58 -0.10 0.00 0.00 174.94 175.39 3ffz s GLN 204 N -0.78 4.33 -0.02 2.79 2.00 -0.87 -4.89 119.66 122.22 3ffz s GLN 204 Ca 0.12 2.17 -0.30 0.00 -2.00 0.00 0.00 55.36 55.35 3ffz s GLN 204 Cb -0.11 -3.16 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 3ffz s GLN 204 CO 0.01 -0.34 1.23 0.34 -0.50 0.00 0.00 175.29 176.03 3ffz s ASP 205 N 0.39 7.03 0.52 6.67 -1.08 -1.26 -4.76 116.67 124.18 3ffz s ASP 205 Ca 0.58 1.90 0.22 0.00 -0.52 0.00 0.00 52.55 54.73 3ffz s ASP 205 Cb -0.39 -2.56 1.35 0.00 -1.46 0.00 0.00 42.92 39.85 3ffz s ASP 205 CO 0.40 -0.58 2.05 -0.65 0.52 0.00 0.00 175.17 176.91 3ffz h PRO 206 N 7.38 0.01 -0.31 4.34 0.11 -1.93 -1.36 132.00 140.25 3ffz h PRO 206 Ca -0.36 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ffz h PRO 206 Cb 1.17 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3ffz h PRO 206 CO 0.87 0.01 0.18 0.00 -0.21 0.00 0.00 178.00 178.85 3ffz h ALA 207 N 1.82 0.39 -0.50 -0.75 0.00 -1.94 -2.49 119.26 115.79 3ffz h ALA 207 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ffz h ALA 207 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ffz h ALA 207 CO -0.00 -0.11 0.27 1.25 0.00 0.00 0.00 179.25 180.66 3ffz h LEU 208 N 0.39 0.60 -1.08 0.00 5.85 -1.64 -0.97 115.31 118.46 3ffz h LEU 208 Ca 0.11 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3ffz h LEU 208 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3ffz h LEU 208 CO -0.02 0.48 -0.17 0.74 -0.34 0.00 0.00 178.44 179.13 3ffz h THR 209 N 0.68 1.24 -0.04 1.05 2.02 -1.31 -1.11 112.91 115.45 3ffz h THR 209 Ca 0.18 -1.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 3ffz h THR 209 Cb 0.02 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3ffz h THR 209 CO -0.03 0.35 -0.60 0.25 0.37 0.00 0.00 175.52 175.86 3ffz h LEU 210 N 0.40 0.59 -0.98 2.58 5.85 -0.90 -2.69 115.31 120.17 3ffz h LEU 210 Ca 0.07 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 58.05 3ffz h LEU 210 Cb 0.54 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3ffz h LEU 210 CO 0.04 1.22 0.37 0.24 -0.34 0.00 0.00 178.44 179.96 3ffz h MET 211 N 0.02 1.10 -0.96 1.25 2.86 -1.09 0.24 114.93 118.35 3ffz h MET 211 Ca -0.06 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3ffz h MET 211 Cb 1.28 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.67 3ffz h MET 211 CO 0.12 0.85 0.62 1.25 1.06 0.00 0.00 176.91 180.80 3ffz h HIS 212 N 1.09 1.11 -0.05 -0.22 -0.00 -1.20 0.15 115.15 116.03 3ffz h HIS 212 Ca 0.26 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.46 3ffz h HIS 212 Cb 0.11 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.16 3ffz h HIS 212 CO 0.01 0.56 -0.82 0.93 -0.00 0.00 0.00 177.93 178.61 3ffz h GLU 213 N 1.07 0.44 -0.07 5.26 4.39 -0.83 -2.94 114.58 121.90 3ffz h GLU 213 Ca 0.42 -0.41 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 3ffz h GLU 213 Cb 0.24 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3ffz h GLU 213 CO -0.17 1.05 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.25 3ffz h LEU 214 N 0.28 0.16 0.10 1.33 3.38 0.48 -0.45 115.31 120.59 3ffz h LEU 214 Ca -0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ffz h LEU 214 Cb 1.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3ffz h LEU 214 CO 0.14 0.56 -0.05 0.40 0.09 0.00 0.00 178.44 179.58 3ffz h ILE 215 N 0.13 1.06 -0.93 1.22 2.04 -0.73 0.56 117.51 120.86 3ffz h ILE 215 Ca 0.01 -0.64 0.15 0.00 1.00 0.00 0.00 64.86 65.38 3ffz h ILE 215 Cb 0.79 1.47 -0.09 0.00 -0.74 0.00 0.00 36.82 38.24 3ffz h ILE 215 CO 0.06 0.16 0.54 0.45 0.00 0.00 0.00 178.15 179.35 3ffz h HIS 216 N -0.44 0.95 0.42 1.37 3.86 -1.39 -1.53 115.15 118.40 3ffz h HIS 216 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3ffz h HIS 216 Cb 0.36 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3ffz h HIS 216 CO 0.02 0.27 -0.41 0.77 0.86 0.00 0.00 177.93 179.45 3ffz h SER 217 N 0.76 -1.12 -0.77 2.45 0.02 -0.31 -1.94 113.55 112.64 3ffz h SER 217 Ca 0.50 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.63 3ffz h SER 217 Cb 0.66 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 63.45 3ffz h SER 217 CO -0.34 -0.55 -0.50 0.25 -1.14 0.00 0.00 176.83 174.56 3ffz h LEU 218 N -0.83 -1.77 -0.87 5.07 5.85 0.76 0.12 115.31 123.65 3ffz h LEU 218 Ca -0.05 0.29 0.23 0.00 0.84 0.00 0.00 57.88 59.18 3ffz h LEU 218 Cb 0.71 0.80 -0.14 0.00 0.37 0.00 0.00 40.66 42.40 3ffz h LEU 218 CO -0.04 -0.30 0.23 0.45 -0.34 0.00 0.00 178.44 178.44 3ffz h HIS 219 N -0.14 0.35 0.00 1.25 3.86 -1.03 0.48 115.15 119.91 3ffz h HIS 219 Ca 0.19 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3ffz h HIS 219 Cb 0.52 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3ffz h HIS 219 CO -0.85 -0.20 -0.27 0.78 0.86 0.00 0.00 177.93 178.25 3ffz h GLY 220 N 0.21 0.00 1.95 2.45 0.00 -0.00 -2.36 103.07 105.32 3ffz h GLY 220 Ca 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.72 3ffz h GLY 220 CO -0.64 0.00 -0.73 1.41 0.00 0.00 0.00 176.54 176.58 3ffz h LEU 221 N 0.00 0.06 -1.68 3.11 3.38 0.80 -2.83 115.31 118.14 3ffz h LEU 221 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ffz h LEU 221 Cb 0.67 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ffz h LEU 221 CO 0.04 0.76 0.00 -1.22 0.09 0.00 0.00 178.44 178.11 3ffz n TYR 222 N -3.70 0.56 -2.43 1.13 4.02 -0.90 -3.99 117.16 111.85 3ffz n TYR 222 Ca -0.01 -0.28 -0.20 0.00 -0.01 0.00 0.00 57.90 57.40 3ffz n TYR 222 Cb 0.70 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.02 3ffz n TYR 222 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ffz n GLY 223 N 1.25 -0.50 2.23 2.72 0.00 -1.03 -4.17 105.19 105.70 3ffz n GLY 223 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3ffz n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffz n ALA 224 N -2.09 5.83 0.68 4.61 0.00 -0.92 -0.55 120.51 128.07 3ffz n ALA 224 Ca -0.23 -3.03 0.07 0.00 0.00 0.00 0.00 53.44 50.25 3ffz n ALA 224 Cb 0.68 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3ffz n ALA 224 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ffz n LYS 225 N -0.96 1.82 -0.16 0.00 5.02 -0.58 -4.58 118.16 118.73 3ffz n LYS 225 Ca 0.59 -0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 56.22 3ffz n LYS 225 Cb 1.18 -1.24 0.03 0.00 -0.02 0.00 0.00 35.03 34.99 3ffz n LYS 225 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ffz h GLY 226 N 3.32 0.35 0.69 0.72 0.00 -1.61 -2.54 103.07 103.99 3ffz h GLY 226 Ca 0.00 0.17 -0.35 0.00 0.00 0.00 0.00 47.33 47.15 3ffz h GLY 226 CO 0.00 -0.19 -1.94 -2.22 0.00 0.00 0.00 176.54 172.19 3ffz h ILE 227 N -0.01 0.67 0.00 2.60 1.08 -1.83 -3.34 117.51 116.69 3ffz h ILE 227 Ca 0.24 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.30 3ffz h ILE 227 Cb 0.37 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 3ffz h ILE 227 CO -0.52 0.84 0.00 0.35 -0.69 0.00 0.00 178.15 178.13 3ffz n THR 228 N -3.42 1.33 0.33 -0.27 -2.24 -1.21 -2.56 114.28 106.24 3ffz n THR 228 Ca -0.29 0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 3ffz n THR 228 Cb 1.05 -1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 3ffz n THR 228 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ffz n THR 229 N -1.52 0.00 0.13 4.28 -2.24 -0.96 -2.07 114.28 111.90 3ffz n THR 229 Ca 0.02 -0.32 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 3ffz n THR 229 Cb 0.11 0.97 0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3ffz n THR 229 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3ffz h LYS 230 N 0.00 0.00 -5.13 -0.78 3.64 -1.61 -3.45 116.57 109.24 3ffz h LYS 230 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 3ffz h LYS 230 Cb 0.18 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.84 3ffz h LYS 230 CO 0.00 0.31 -0.54 0.71 -2.27 0.00 0.00 179.45 177.66 3ffz s TYR 231 N -3.05 3.27 -0.14 1.91 2.02 -1.14 -5.10 117.35 115.13 3ffz s TYR 231 Ca 0.03 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.72 3ffz s TYR 231 Cb 0.07 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3ffz s TYR 231 CO 0.75 0.05 0.35 -0.08 -1.57 0.00 0.00 175.55 175.05 3ffz s THR 232 N 0.90 -0.01 -0.30 -0.71 -1.32 -1.26 -2.16 115.64 110.78 3ffz s THR 232 Ca 0.06 0.03 -0.25 0.00 -1.21 0.00 0.00 61.69 60.31 3ffz s THR 232 Cb -0.13 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3ffz s THR 232 CO 0.03 0.01 0.88 -0.63 -2.21 0.00 0.00 174.62 172.70 3ffz s ILE 233 N 0.47 4.72 0.29 5.08 1.09 -0.55 -4.60 121.20 127.70 3ffz s ILE 233 Ca -0.02 1.40 0.09 0.00 -1.10 0.00 0.00 60.65 61.02 3ffz s ILE 233 Cb -0.04 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 3ffz s ILE 233 CO -0.02 -0.29 0.07 -0.89 -0.10 0.00 0.00 174.94 173.71 3ffz s THR 234 N 3.14 3.41 -0.01 2.92 2.01 -1.26 -1.62 115.64 124.24 3ffz s THR 234 Ca 0.36 -1.77 -0.13 0.00 0.31 0.00 0.00 61.69 60.46 3ffz s THR 234 Cb -0.14 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3ffz s THR 234 CO 0.12 -0.30 0.37 -1.10 -0.69 0.00 0.00 174.62 173.02 3ffz s GLN 235 N -3.76 3.82 0.16 4.92 -1.52 -1.26 -0.26 119.66 121.77 3ffz s GLN 235 Ca 0.34 0.30 -0.32 0.00 -1.95 0.00 0.00 55.36 53.73 3ffz s GLN 235 Cb -0.05 -3.18 -0.11 0.00 -0.22 0.00 0.00 33.01 29.45 3ffz s GLN 235 CO 0.22 0.69 1.70 0.21 -0.25 0.00 0.00 175.29 177.86 3ffz s LYS 236 N -1.20 4.16 -0.54 2.91 2.20 -0.15 -4.55 119.74 122.57 3ffz s LYS 236 Ca 0.24 2.52 -0.28 0.00 -0.36 0.00 0.00 55.97 58.09 3ffz s LYS 236 Cb -0.16 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3ffz s LYS 236 CO 0.13 -0.74 1.34 -0.65 -0.36 0.00 0.00 175.35 175.07 3ffz s GLN 237 N 1.69 3.42 -0.01 4.03 -1.52 -1.26 -4.77 119.66 121.24 3ffz s GLN 237 Ca 0.75 0.48 -0.26 0.00 -1.95 0.00 0.00 55.36 54.38 3ffz s GLN 237 Cb -0.46 -4.07 0.06 0.00 -0.22 0.00 0.00 33.01 28.32 3ffz s GLN 237 CO 0.33 -1.78 0.57 1.21 -0.25 0.00 0.00 175.29 175.37 3ffz s ASN 238 N 3.85 -0.52 0.59 5.90 3.84 -1.26 -5.05 114.94 122.29 3ffz s ASN 238 Ca 0.51 0.43 0.38 0.00 0.21 0.00 0.00 52.86 54.39 3ffz s ASN 238 Cb -0.10 0.49 1.76 0.00 -0.55 0.00 0.00 41.25 42.86 3ffz s ASN 238 CO 0.27 -0.63 2.13 1.55 -2.79 0.00 0.00 177.10 177.62 3ffz h PRO 239 N 3.03 0.00 -0.01 0.43 0.13 -2.00 -2.71 132.00 130.88 3ffz h PRO 239 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3ffz h PRO 239 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ffz h PRO 239 CO 0.40 0.00 -0.50 1.28 -0.23 0.00 0.00 178.00 178.95 3ffz n LEU 240 N -3.10 1.21 -4.86 1.56 4.77 -1.26 -4.86 117.00 110.46 3ffz n LEU 240 Ca -0.01 -0.40 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 3ffz n LEU 240 Cb 0.22 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3ffz n LEU 240 CO 0.25 0.24 0.11 -0.63 -1.33 0.00 0.00 177.39 176.03 3ffz s ILE 241 N -2.68 5.05 0.76 -0.08 -1.09 -1.02 -1.47 121.20 120.67 3ffz s ILE 241 Ca 0.17 0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 3ffz s ILE 241 Cb 0.18 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.45 3ffz s ILE 241 CO 0.63 0.29 1.10 0.28 -1.23 0.00 0.00 174.94 176.01 3ffz s THR 242 N -1.40 3.24 -0.36 2.92 -1.32 0.28 -4.75 115.64 114.25 3ffz s THR 242 Ca 0.33 0.43 -0.06 0.00 -1.21 0.00 0.00 61.69 61.19 3ffz s THR 242 Cb -0.14 -2.90 0.06 0.00 -1.51 0.00 0.00 72.50 68.01 3ffz s THR 242 CO 0.18 -0.50 0.14 0.20 -2.21 0.00 0.00 174.62 172.43 3ffz s ASN 243 N -3.23 5.33 0.02 8.08 0.01 -1.26 -4.91 114.94 118.97 3ffz s ASN 243 Ca 0.62 -1.38 -0.12 0.00 -0.71 0.00 0.00 52.86 51.27 3ffz s ASN 243 Cb -0.18 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.63 3ffz s ASN 243 CO 0.54 -0.40 0.26 0.27 -1.51 0.00 0.00 177.10 176.26 3ffz s ILE 244 N 1.35 0.08 1.06 0.60 -4.36 -1.26 -2.18 121.20 116.48 3ffz s ILE 244 Ca 0.00 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.60 3ffz s ILE 244 Cb -0.21 -0.79 0.21 0.00 1.25 0.00 0.00 42.46 42.92 3ffz s ILE 244 CO 0.01 -0.37 0.97 0.54 0.24 0.00 0.00 174.94 176.33 3ffz n ARG 245 N 0.89 -1.49 -1.47 0.37 1.74 -1.26 -4.70 116.66 110.74 3ffz n ARG 245 Ca -0.20 -0.39 -0.32 0.00 -0.77 0.00 0.00 57.85 56.17 3ffz n ARG 245 Cb 0.58 -2.20 0.08 0.00 -1.02 0.00 0.00 32.46 29.89 3ffz n ARG 245 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3ffz s GLY 246 N -2.44 1.97 -0.20 -0.13 0.00 -1.26 -4.92 107.32 100.35 3ffz s GLY 246 Ca 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.85 3ffz s GLY 246 CO 0.63 0.85 -0.10 -1.59 0.00 0.00 0.00 173.10 172.88 3ffz s THR 247 N -2.53 2.95 0.29 0.90 2.01 -0.64 -4.96 115.64 113.67 3ffz s THR 247 Ca 0.66 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 3ffz s THR 247 Cb -0.20 -2.31 -0.10 0.00 0.01 0.00 0.00 72.50 69.90 3ffz s THR 247 CO 0.48 0.47 1.14 0.20 -0.69 0.00 0.00 174.62 176.22 3ffz s ASN 248 N 1.31 7.17 0.67 3.53 0.01 -1.26 -1.48 114.94 124.88 3ffz s ASN 248 Ca 0.04 2.35 0.41 0.00 -0.71 0.00 0.00 52.86 54.95 3ffz s ASN 248 Cb -0.14 -2.63 2.22 0.00 0.41 0.00 0.00 41.25 41.11 3ffz s ASN 248 CO -0.05 -0.22 2.26 0.16 -1.51 0.00 0.00 177.10 177.74 3ffz h ILE 249 N 3.08 0.02 -0.86 0.60 3.07 -1.40 0.11 117.51 122.13 3ffz h ILE 249 Ca -0.47 0.00 0.24 0.00 1.55 0.00 0.00 64.86 66.18 3ffz h ILE 249 Cb 1.21 0.91 -0.04 0.00 -0.27 0.00 0.00 36.82 38.64 3ffz h ILE 249 CO 0.67 0.00 0.61 -0.08 -1.05 0.00 0.00 178.15 178.30 3ffz h GLU 250 N 0.00 0.05 0.13 0.16 4.57 -1.70 0.54 114.58 118.33 3ffz h GLU 250 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3ffz h GLU 250 Cb 0.17 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3ffz h GLU 250 CO -0.00 0.03 -0.06 0.93 -1.18 0.00 0.00 179.01 178.73 3ffz h GLU 251 N 0.05 -0.17 -0.98 1.92 4.39 -1.27 -1.37 114.58 117.16 3ffz h GLU 251 Ca 0.41 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.20 3ffz h GLU 251 Cb 1.57 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 30.19 3ffz h GLU 251 CO -0.03 0.24 0.62 0.74 -1.16 0.00 0.00 179.01 179.43 3ffz h PHE 252 N -0.64 1.15 -0.23 4.33 0.05 -1.22 0.65 116.94 121.04 3ffz h PHE 252 Ca -0.02 0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.71 3ffz h PHE 252 Cb 0.49 -0.38 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 3ffz h PHE 252 CO 0.07 0.57 -0.24 1.25 -0.18 0.00 0.00 178.31 179.77 3ffz h LEU 253 N 1.11 0.42 0.00 1.54 5.85 -0.97 -1.29 115.31 121.98 3ffz h LEU 253 Ca 0.43 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.85 3ffz h LEU 253 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3ffz h LEU 253 CO -0.19 0.67 -0.82 0.74 -0.34 0.00 0.00 178.44 178.50 3ffz h THR 254 N 0.38 1.25 0.22 1.05 2.02 0.22 -3.33 112.91 114.70 3ffz h THR 254 Ca 0.06 -2.79 -0.31 0.00 0.77 0.00 0.00 66.41 64.14 3ffz h THR 254 Cb 0.63 2.61 0.03 0.00 -1.74 0.00 0.00 68.15 69.68 3ffz h THR 254 CO 0.05 0.71 -1.40 0.15 0.37 0.00 0.00 175.52 175.39 3ffz h PHE 255 N 0.00 0.84 -0.21 3.16 3.57 0.42 -1.74 116.94 122.98 3ffz h PHE 255 Ca -0.02 -0.61 0.00 0.00 3.53 0.00 0.00 57.97 60.86 3ffz h PHE 255 Cb 1.60 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.30 3ffz h PHE 255 CO 0.00 1.54 0.00 0.41 -2.23 0.00 0.00 178.31 178.03 3ffz n GLY 256 N 1.74 -1.64 6.72 2.40 0.00 -0.50 -0.87 105.19 113.02 3ffz n GLY 256 Ca -0.18 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3ffz n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffz n GLY 257 N 0.00 -0.19 0.23 -0.02 0.00 -1.26 -3.44 105.19 100.51 3ffz n GLY 257 Ca 0.00 -1.10 0.15 0.00 0.00 0.00 0.00 46.02 45.07 3ffz n GLY 257 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ffz h THR 258 N 0.00 0.00 0.00 2.61 2.02 -1.90 -2.97 112.91 112.67 3ffz h THR 258 Ca 0.00 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3ffz h THR 258 Cb 0.00 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3ffz h THR 258 CO 0.00 0.00 -0.01 0.44 0.37 0.00 0.00 175.52 176.32 3ffz h ASP 259 N 0.00 0.00 -0.26 4.18 5.19 -1.83 -1.09 116.42 122.61 3ffz h ASP 259 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 3ffz h ASP 259 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 3ffz h ASP 259 CO 0.00 0.01 0.18 -0.07 -3.12 0.00 0.00 179.24 176.24 3ffz h LEU 260 N 0.00 0.07 0.00 1.55 3.38 -1.70 0.18 115.31 118.79 3ffz h LEU 260 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ffz h LEU 260 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ffz h LEU 260 CO 0.00 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.17 3ffz n ASN 261 N -4.48 0.00 0.07 -0.43 3.02 -0.41 -1.97 115.26 111.06 3ffz n ASN 261 Ca 0.03 -0.56 -0.03 0.00 -0.03 0.00 0.00 54.58 53.99 3ffz n ASN 261 Cb 0.28 -0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.37 3ffz n ASN 261 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ffz h ILE 262 N 0.00 1.09 -3.40 2.41 2.04 -0.82 -3.34 117.51 115.49 3ffz h ILE 262 Ca 0.00 -2.67 -0.54 0.00 1.00 0.00 0.00 64.86 62.65 3ffz h ILE 262 Cb 0.00 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3ffz h ILE 262 CO 0.00 0.62 0.32 -0.63 0.00 0.00 0.00 178.15 178.46 3ffz s ILE 263 N -2.82 4.90 0.48 -0.67 1.09 -0.83 -4.82 121.20 118.53 3ffz s ILE 263 Ca 0.00 1.95 -0.19 0.00 -1.10 0.00 0.00 60.65 61.32 3ffz s ILE 263 Cb 0.09 -4.27 -0.09 0.00 -1.06 0.00 0.00 42.46 37.13 3ffz s ILE 263 CO 0.79 0.18 0.99 0.42 -0.10 0.00 0.00 174.94 177.22 3ffz s THR 264 N 0.96 4.23 0.43 2.92 -4.23 -1.26 -4.89 115.64 113.80 3ffz s THR 264 Ca 0.49 1.26 0.21 0.00 -1.18 0.00 0.00 61.69 62.48 3ffz s THR 264 Cb -0.20 -3.57 0.42 0.00 1.34 0.00 0.00 72.50 70.48 3ffz s THR 264 CO 0.26 -0.42 1.80 -1.28 -0.54 0.00 0.00 174.62 174.44 3ffz h SER 265 N 1.40 0.35 0.42 3.99 0.87 -1.89 0.12 113.55 118.81 3ffz h SER 265 Ca -0.48 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.00 3ffz h SER 265 Cb 1.19 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3ffz h SER 265 CO 0.60 0.09 -0.59 0.00 -0.53 0.00 0.00 176.83 176.40 3ffz h ALA 266 N 1.59 0.92 -0.11 6.23 0.00 -1.92 -2.53 119.26 123.43 3ffz h ALA 266 Ca 0.55 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3ffz h ALA 266 Cb 1.54 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.25 3ffz h ALA 266 CO -0.21 0.72 -0.59 1.96 0.00 0.00 0.00 179.25 181.13 3ffz h GLN 267 N 0.12 0.60 -0.44 0.00 4.20 -1.15 -1.79 115.11 116.66 3ffz h GLN 267 Ca -0.00 -0.50 0.04 0.00 0.06 0.00 0.00 58.65 58.25 3ffz h GLN 267 Cb 1.07 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 3ffz h GLN 267 CO 0.09 1.12 0.20 0.77 -0.67 0.00 0.00 178.83 180.33 3ffz h SER 268 N 0.24 0.27 -0.52 1.46 0.02 -1.40 0.32 113.55 113.94 3ffz h SER 268 Ca -0.04 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3ffz h SER 268 Cb 1.24 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 3ffz h SER 268 CO 0.12 0.19 0.06 0.78 -1.14 0.00 0.00 176.83 176.85 3ffz h ASN 269 N 0.40 -0.09 -0.07 3.07 2.35 -1.35 -1.58 115.58 118.31 3ffz h ASN 269 Ca 0.19 0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 3ffz h ASN 269 Cb 0.13 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ffz h ASN 269 CO -0.16 -0.02 -0.32 0.44 -1.65 0.00 0.00 177.43 175.72 3ffz h ASP 270 N 0.19 0.56 -0.88 5.81 3.45 -0.46 -0.77 116.42 124.32 3ffz h ASP 270 Ca 0.26 -0.22 0.02 0.00 0.43 0.00 0.00 57.03 57.52 3ffz h ASP 270 Cb 0.38 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.95 3ffz h ASP 270 CO -0.38 0.85 0.58 0.40 -1.57 0.00 0.00 179.24 179.12 3ffz h ILE 271 N 0.47 1.19 0.50 0.35 2.04 -0.18 0.24 117.51 122.12 3ffz h ILE 271 Ca 0.06 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3ffz h ILE 271 Cb 0.78 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3ffz h ILE 271 CO 0.06 0.21 -0.24 0.22 0.00 0.00 0.00 178.15 178.41 3ffz h TYR 272 N 1.16 -0.62 0.56 1.37 3.20 -0.99 -2.26 116.97 119.39 3ffz h TYR 272 Ca 0.33 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 3ffz h TYR 272 Cb -0.08 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3ffz h TYR 272 CO -0.01 -0.39 -0.51 0.00 -1.64 0.00 0.00 178.16 175.61 3ffz h THR 273 N -1.01 0.00 -1.07 1.81 1.03 -1.12 -1.05 112.91 111.50 3ffz h THR 273 Ca -0.07 0.00 0.30 0.00 -0.01 0.00 0.00 66.41 66.64 3ffz h THR 273 Cb 0.51 0.00 -0.05 0.00 -1.07 0.00 0.00 68.15 67.54 3ffz h THR 273 CO 0.11 0.00 0.76 0.78 -0.01 0.00 0.00 175.52 177.16 3ffz h ASN 274 N -1.05 0.06 0.00 0.00 2.35 -1.08 0.60 115.58 116.46 3ffz h ASN 274 Ca -0.07 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3ffz h ASN 274 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3ffz h ASN 274 CO -0.04 0.01 -0.00 0.25 -1.65 0.00 0.00 177.43 176.01 3ffz h LEU 275 N 0.05 -0.00 -0.22 1.61 6.46 -0.76 -2.97 115.31 119.47 3ffz h LEU 275 Ca 0.52 -0.80 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 3ffz h LEU 275 Cb 1.98 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.88 3ffz h LEU 275 CO -0.04 0.81 0.07 0.25 -0.62 0.00 0.00 178.44 178.91 3ffz h LEU 276 N -0.82 0.08 -2.01 2.25 5.85 -0.09 -0.71 115.31 119.86 3ffz h LEU 276 Ca -0.00 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.90 3ffz h LEU 276 Cb 0.80 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3ffz h LEU 276 CO 0.00 0.08 0.44 0.00 -0.34 0.00 0.00 178.44 178.62 3ffz h ALA 277 N 1.14 2.43 0.21 1.25 0.00 -1.03 -1.50 119.26 121.77 3ffz h ALA 277 Ca 0.10 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 3ffz h ALA 277 Cb 0.07 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ffz h ALA 277 CO -0.10 -0.72 -1.57 -0.44 0.00 0.00 0.00 179.25 176.42 3ffz h ASP 278 N 0.00 0.71 1.09 0.00 3.45 -1.00 -3.08 116.42 117.59 3ffz h ASP 278 Ca 0.26 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.86 3ffz h ASP 278 Cb 1.14 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3ffz h ASP 278 CO -0.00 1.70 0.00 1.88 -1.57 0.00 0.00 179.24 181.24 3ffz h TYR 279 N 0.12 0.00 0.00 4.55 -1.99 -0.40 -1.93 116.97 117.32 3ffz h TYR 279 Ca -0.28 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.24 3ffz h TYR 279 Cb 2.12 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.82 3ffz h TYR 279 CO 0.11 0.00 -1.00 0.87 -0.00 0.00 0.00 178.16 178.14 3ffz h LYS 280 N 0.00 0.00 0.00 4.88 1.57 -1.38 -1.59 116.57 120.05 3ffz h LYS 280 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3ffz h LYS 280 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ffz h LYS 280 CO 0.00 0.93 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.55 3ffz h LYS 281 N 0.00 0.00 0.11 3.15 3.64 -1.26 -2.99 116.57 119.22 3ffz h LYS 281 Ca -0.02 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.99 3ffz h LYS 281 Cb 1.75 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.55 3ffz h LYS 281 CO 0.12 0.04 -2.01 -0.89 -2.27 0.00 0.00 179.45 174.45 3ffz n ILE 282 N -3.14 1.76 0.65 2.00 5.41 -1.01 -3.86 119.36 121.17 3ffz n ILE 282 Ca 0.01 -0.66 0.06 0.00 1.00 0.00 0.00 62.75 63.16 3ffz n ILE 282 Cb 0.39 -1.69 0.32 0.00 -0.71 0.00 0.00 39.64 37.96 3ffz n ILE 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ffz n ALA 283 N -2.99 1.83 -1.39 -1.39 0.00 -0.61 -0.20 120.51 115.76 3ffz n ALA 283 Ca -0.32 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.13 3ffz n ALA 283 Cb 1.05 -1.19 0.18 0.00 0.00 0.00 0.00 19.45 19.49 3ffz n ALA 283 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ffz n SER 284 N -1.13 1.96 0.00 0.00 7.64 -1.14 -3.59 113.62 117.36 3ffz n SER 284 Ca 0.07 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.37 3ffz n SER 284 Cb 0.06 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3ffz n SER 284 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3ffz n LYS 285 N -1.24 0.87 -0.09 1.43 4.81 0.50 -4.51 118.16 119.94 3ffz n LYS 285 Ca 0.18 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.72 3ffz n LYS 285 Cb 0.67 -0.59 0.36 0.00 0.02 0.00 0.00 35.03 35.49 3ffz n LYS 285 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3ffz n LEU 286 N -0.75 1.67 -0.06 3.14 7.94 0.72 -3.78 117.00 125.87 3ffz n LEU 286 Ca 0.00 -0.71 -0.10 0.00 -1.11 0.00 0.00 56.01 54.10 3ffz n LEU 286 Cb 0.09 -0.11 -0.05 0.00 0.53 0.00 0.00 43.42 43.88 3ffz n LEU 286 CO 0.00 0.35 -0.89 -1.20 -1.11 0.00 0.00 177.39 174.54 3ffz n SER 287 N 0.33 2.30 -2.38 1.96 7.64 -1.26 -4.58 113.62 117.63 3ffz n SER 287 Ca 0.16 0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.79 3ffz n SER 287 Cb 0.33 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 3ffz n SER 287 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3ffz n LYS 288 N -3.09 2.31 -3.76 1.43 2.85 -1.25 -4.75 118.16 111.89 3ffz n LYS 288 Ca -0.22 -2.34 -0.28 0.00 -1.05 0.00 0.00 58.31 54.43 3ffz n LYS 288 Cb 0.70 -2.04 -0.16 0.00 -0.65 0.00 0.00 35.03 32.88 3ffz n LYS 288 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3ffz s VAL 289 N -2.71 0.70 0.00 0.58 0.11 -1.25 -2.52 120.40 115.31 3ffz s VAL 289 Ca 0.52 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3ffz s VAL 289 Cb 0.36 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3ffz s VAL 289 CO -0.17 -0.24 0.00 0.00 -3.33 0.00 0.00 175.10 171.36 3ffz n GLN 290 N 4.98 0.00 -3.59 1.54 6.02 -0.86 -4.93 117.38 120.53 3ffz n GLN 290 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.79 3ffz n GLN 290 Cb 0.46 -0.05 -0.06 0.00 1.02 0.00 0.00 30.24 31.62 3ffz n GLN 290 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ffz s VAL 291 N 0.00 0.00 0.00 5.09 1.01 -1.26 -5.01 120.40 120.24 3ffz s VAL 291 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3ffz s VAL 291 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3ffz s VAL 291 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.90 3ffz n SER 292 N 1.08 0.00 -4.38 3.32 7.64 -1.26 -4.91 113.62 115.11 3ffz n SER 292 Ca -0.11 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 3ffz n SER 292 Cb 0.57 -0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 3ffz n SER 292 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ffz s ASN 293 N -2.05 4.00 0.41 6.43 0.01 -1.26 -4.98 114.94 117.50 3ffz s ASN 293 Ca 0.00 -0.32 0.10 0.00 -0.71 0.00 0.00 52.86 51.93 3ffz s ASN 293 Cb 0.00 -1.56 0.57 0.00 0.41 0.00 0.00 41.25 40.67 3ffz s ASN 293 CO 0.00 0.18 1.20 -0.65 -1.51 0.00 0.00 177.10 176.32 3ffz h PRO 294 N 6.61 0.00 0.62 -0.60 0.11 -2.01 -0.62 132.00 136.10 3ffz h PRO 294 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3ffz h PRO 294 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3ffz h PRO 294 CO 0.55 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.97 3ffz h LEU 295 N 0.00 -0.71 -7.43 2.35 4.07 -2.02 -3.33 115.31 108.25 3ffz h LEU 295 Ca 0.00 0.02 -0.70 0.00 0.08 0.00 0.00 57.88 57.29 3ffz h LEU 295 Cb 1.01 0.18 -0.09 0.00 1.08 0.00 0.00 40.66 42.84 3ffz h LEU 295 CO 0.00 -0.32 2.24 0.00 -1.08 0.00 0.00 178.44 179.28 3ffz n LEU 296 N -5.29 5.42 0.00 1.67 -0.00 -0.24 -4.06 117.00 114.50 3ffz n LEU 296 Ca -0.10 -4.08 0.00 0.00 -0.00 0.00 0.00 56.01 51.83 3ffz n LEU 296 Cb 0.33 -1.70 0.00 0.00 -0.00 0.00 0.00 43.42 42.05 3ffz n LEU 296 CO 0.25 0.47 -0.01 -3.20 -0.00 0.00 0.00 177.39 174.90 3ffz n ASN 297 N 7.33 0.15 0.00 1.45 5.15 -1.25 -4.57 115.26 123.52 3ffz n ASN 297 Ca 0.47 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.50 3ffz n ASN 297 Cb 0.44 0.03 0.27 0.00 -0.53 0.00 0.00 39.78 39.98 3ffz n ASN 297 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ffz n PRO 298 N -0.15 0.66 0.09 1.20 -0.04 -1.26 -2.42 135.00 133.09 3ffz n PRO 298 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 3ffz n PRO 298 Cb 0.00 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 3ffz n PRO 298 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ffz h TYR 299 N 0.00 0.55 -0.46 0.54 0.05 -1.90 -3.27 116.97 112.48 3ffz h TYR 299 Ca 0.00 -0.40 0.13 0.00 0.05 0.00 0.00 58.73 58.51 3ffz h TYR 299 Cb 0.00 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3ffz h TYR 299 CO 0.00 1.37 0.69 -0.22 -1.05 0.00 0.00 178.16 178.95 3ffz h LYS 300 N 0.08 0.00 0.05 4.88 3.64 -1.84 0.09 116.57 123.48 3ffz h LYS 300 Ca -0.20 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.85 3ffz h LYS 300 Cb 2.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 3ffz h LYS 300 CO 0.20 0.00 -1.92 -0.25 -2.27 0.00 0.00 179.45 175.21 3ffz n ASP 301 N -3.30 1.35 0.02 4.20 9.92 -1.23 -3.71 116.55 123.80 3ffz n ASP 301 Ca 0.09 0.27 -0.04 0.00 -0.53 0.00 0.00 54.79 54.58 3ffz n ASP 301 Cb 0.86 -0.31 0.18 0.00 -0.64 0.00 0.00 41.12 41.21 3ffz n ASP 301 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3ffz h VAL 302 N 0.03 1.28 -0.21 2.53 3.04 -1.09 -2.68 116.25 119.14 3ffz h VAL 302 Ca -0.38 -1.35 -0.05 0.00 -1.01 0.00 0.00 66.70 63.92 3ffz h VAL 302 Cb 2.03 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 3ffz h VAL 302 CO 0.07 0.42 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.74 3ffz h PHE 303 N 0.42 0.46 -0.68 3.17 0.04 -1.60 -0.55 116.94 118.20 3ffz h PHE 303 Ca 0.06 -0.10 0.12 0.00 2.80 0.00 0.00 57.97 60.85 3ffz h PHE 303 Cb 0.72 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 3ffz h PHE 303 CO 0.02 0.66 0.45 1.49 -0.60 0.00 0.00 178.31 180.33 3ffz h GLU 304 N 0.13 0.41 0.14 1.51 4.81 -1.61 0.33 114.58 120.29 3ffz h GLU 304 Ca 0.05 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 3ffz h GLU 304 Cb 0.51 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.81 3ffz h GLU 304 CO 0.02 0.27 -1.25 0.00 -0.73 0.00 0.00 179.01 177.32 3ffz h ALA 305 N 1.67 0.07 0.40 2.92 0.00 -1.24 -0.60 119.26 122.47 3ffz h ALA 305 Ca 0.32 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3ffz h ALA 305 Cb 0.68 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ffz h ALA 305 CO -0.10 0.84 -0.19 -0.22 0.00 0.00 0.00 179.25 179.59 3ffz h LYS 306 N 0.15 -0.51 -0.64 0.00 3.64 0.63 -3.21 116.57 116.61 3ffz h LYS 306 Ca -0.16 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3ffz h LYS 306 Cb 1.94 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 3ffz h LYS 306 CO 0.22 -0.34 0.00 0.66 -2.27 0.00 0.00 179.45 177.72 3ffz n TYR 307 N -3.77 0.00 -4.02 1.91 4.02 0.96 -4.87 117.16 111.39 3ffz n TYR 307 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.55 3ffz n TYR 307 Cb 0.21 -0.06 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 3ffz n TYR 307 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ffz n GLY 308 N 0.16 -0.27 3.90 2.72 0.00 -1.15 -4.76 105.19 105.80 3ffz n GLY 308 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3ffz n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ffz s LEU 309 N -7.05 3.97 -0.06 0.99 1.43 -0.24 -2.79 118.68 114.93 3ffz s LEU 309 Ca 0.17 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 3ffz s LEU 309 Cb -0.09 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 3ffz s LEU 309 CO 0.90 -0.28 -0.25 -1.81 0.23 0.00 0.00 176.35 175.15 3ffz s ASP 310 N -3.29 3.09 -0.11 2.29 1.11 -0.78 -4.79 116.67 114.20 3ffz s ASP 310 Ca 0.46 -0.51 -0.05 0.00 0.18 0.00 0.00 52.55 52.63 3ffz s ASP 310 Cb -0.10 -0.88 -0.04 0.00 1.07 0.00 0.00 42.92 42.97 3ffz s ASP 310 CO 0.32 0.24 0.07 -0.75 1.18 0.00 0.00 175.17 176.23 3ffz s LYS 311 N -0.14 3.25 0.00 8.23 2.20 -1.26 -1.67 119.74 130.34 3ffz s LYS 311 Ca -0.04 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3ffz s LYS 311 Cb -0.14 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3ffz s LYS 311 CO 0.04 0.72 0.00 -0.40 -0.36 0.00 0.00 175.35 175.35 3ffz n ASP 312 N 2.12 0.85 -0.05 1.43 5.75 -1.16 -5.03 116.55 120.46 3ffz n ASP 312 Ca -0.19 -0.87 -0.14 0.00 -0.01 0.00 0.00 54.79 53.57 3ffz n ASP 312 Cb 0.54 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 3ffz n ASP 312 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ffz h ALA 313 N 0.60 0.23 0.00 2.12 0.00 -2.00 -3.17 119.26 117.05 3ffz h ALA 313 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3ffz h ALA 313 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ffz h ALA 313 CO 0.00 0.26 -0.08 1.03 0.00 0.00 0.00 179.25 180.46 3ffz h SER 314 N 0.08 0.00 0.00 0.00 0.87 -2.04 -3.46 113.55 108.99 3ffz h SER 314 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ffz h SER 314 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 3ffz h SER 314 CO 0.07 0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 3ffz n GLY 315 N -0.41 0.88 3.78 5.77 0.00 -1.20 -5.10 105.19 108.90 3ffz n GLY 315 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3ffz n GLY 315 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ffz s ILE 316 N -2.00 4.17 -0.12 -0.61 -5.25 -1.26 -4.70 121.20 111.43 3ffz s ILE 316 Ca 0.00 1.86 -0.07 0.00 -0.99 0.00 0.00 60.65 61.45 3ffz s ILE 316 Cb 0.00 -4.06 -0.04 0.00 2.95 0.00 0.00 42.46 41.31 3ffz s ILE 316 CO 0.00 0.20 0.15 -0.31 -1.79 0.00 0.00 174.94 173.19 3ffz s TYR 317 N -1.54 3.60 0.39 1.37 2.02 -1.24 -2.99 117.35 118.97 3ffz s TYR 317 Ca 0.49 0.54 0.06 0.00 -0.37 0.00 0.00 57.07 57.79 3ffz s TYR 317 Cb -0.20 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.33 3ffz s TYR 317 CO 0.25 0.73 0.02 -1.54 -1.57 0.00 0.00 175.55 173.44 3ffz s SER 318 N -1.00 3.58 -0.42 2.29 1.04 -0.67 -4.52 113.70 114.00 3ffz s SER 318 Ca 0.15 -1.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 3ffz s SER 318 Cb -0.12 -0.34 0.04 0.00 0.10 0.00 0.00 66.02 65.70 3ffz s SER 318 CO 0.04 -0.47 0.31 -0.69 0.98 0.00 0.00 173.24 173.41 3ffz s VAL 319 N -2.82 5.03 -0.55 5.02 1.01 -1.26 -1.86 120.40 124.97 3ffz s VAL 319 Ca 0.35 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 3ffz s VAL 319 Cb 0.10 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3ffz s VAL 319 CO 0.17 -0.40 1.70 0.21 0.00 0.00 0.00 175.10 176.78 3ffz s ASN 320 N 1.98 5.66 0.35 3.32 3.84 -1.12 -4.83 114.94 124.14 3ffz s ASN 320 Ca 0.04 0.45 0.10 0.00 0.21 0.00 0.00 52.86 53.66 3ffz s ASN 320 Cb -0.21 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 38.82 3ffz s ASN 320 CO 0.08 -2.05 1.83 0.40 -2.79 0.00 0.00 177.10 174.57 3ffz h ILE 321 N 6.69 0.74 -0.39 -5.21 1.08 -1.95 0.37 117.51 118.84 3ffz h ILE 321 Ca -0.28 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3ffz h ILE 321 Cb 1.14 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 3ffz h ILE 321 CO 1.18 0.12 0.25 0.78 -0.69 0.00 0.00 178.15 179.78 3ffz h ASN 322 N 0.64 0.46 -0.09 1.72 2.35 -1.95 0.13 115.58 118.84 3ffz h ASN 322 Ca 0.51 -0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 56.05 3ffz h ASN 322 Cb 0.93 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.19 3ffz h ASN 322 CO -0.26 0.34 -0.67 0.11 -1.65 0.00 0.00 177.43 175.30 3ffz h LYS 323 N 0.53 0.62 -0.22 0.81 1.79 -0.62 -3.16 116.57 116.32 3ffz h LYS 323 Ca 0.14 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3ffz h LYS 323 Cb -0.04 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3ffz h LYS 323 CO -0.03 1.16 0.14 0.35 -1.08 0.00 0.00 179.45 180.00 3ffz h PHE 324 N 0.27 0.28 -0.31 -1.35 3.57 -0.34 0.17 116.94 119.22 3ffz h PHE 324 Ca -0.06 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.54 3ffz h PHE 324 Cb 1.32 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3ffz h PHE 324 CO 0.11 0.18 0.41 -0.91 -2.23 0.00 0.00 178.31 175.87 3ffz h ASN 325 N 0.29 0.00 0.37 0.41 4.21 -0.82 0.21 115.58 120.26 3ffz h ASN 325 Ca 0.08 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.27 3ffz h ASN 325 Cb -0.03 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3ffz h ASN 325 CO -0.02 0.00 -1.76 0.44 -1.29 0.00 0.00 177.43 174.80 3ffz h ASP 326 N 0.00 0.20 -0.74 5.81 3.32 -0.90 -0.13 116.42 123.98 3ffz h ASP 326 Ca 0.15 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3ffz h ASP 326 Cb 0.97 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3ffz h ASP 326 CO -0.00 1.36 0.44 0.40 -1.72 0.00 0.00 179.24 179.72 3ffz h ILE 327 N 0.04 1.21 0.37 0.35 1.08 0.18 0.21 117.51 120.95 3ffz h ILE 327 Ca -0.32 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 3ffz h ILE 327 Cb 2.02 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 3ffz h ILE 327 CO 0.10 0.23 -0.18 0.15 -0.69 0.00 0.00 178.15 177.76 3ffz h PHE 328 N 1.04 -0.46 -0.38 1.37 3.57 -0.78 -1.34 116.94 119.96 3ffz h PHE 328 Ca 0.27 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.87 3ffz h PHE 328 Cb -0.02 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3ffz h PHE 328 CO 0.01 -0.29 0.49 -0.22 -2.23 0.00 0.00 178.31 176.07 3ffz h LYS 329 N -0.73 0.00 0.16 1.11 1.63 -0.82 0.78 116.57 118.71 3ffz h LYS 329 Ca -0.05 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.49 3ffz h LYS 329 Cb 0.38 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3ffz h LYS 329 CO 0.08 0.00 -1.23 -0.22 -3.45 0.00 0.00 179.45 174.64 3ffz h LYS 330 N 0.00 0.33 -0.68 1.90 3.64 -0.57 -3.19 116.57 118.01 3ffz h LYS 330 Ca 0.18 -0.57 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 3ffz h LYS 330 Cb 1.16 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 3ffz h LYS 330 CO -0.00 1.27 0.17 -0.07 -2.27 0.00 0.00 179.45 178.55 3ffz h LEU 331 N -0.21 1.03 -2.39 5.20 4.07 0.32 -3.35 115.31 119.98 3ffz h LEU 331 Ca -0.24 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3ffz h LEU 331 Cb 1.82 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.29 3ffz h LEU 331 CO 0.15 1.00 0.00 -1.22 -1.08 0.00 0.00 178.44 177.28 3ffz n TYR 332 N -4.27 0.40 0.13 1.13 4.01 -0.62 -4.42 117.16 113.53 3ffz n TYR 332 Ca 0.05 -0.32 0.09 0.00 -0.16 0.00 0.00 57.90 57.55 3ffz n TYR 332 Cb 0.25 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3ffz n TYR 332 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ffz h SER 333 N 2.79 0.00 -3.60 7.72 0.02 -1.69 -3.38 113.55 115.41 3ffz h SER 333 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3ffz h SER 333 Cb 0.74 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.20 3ffz h SER 333 CO 0.00 0.16 0.80 -0.36 -1.14 0.00 0.00 176.83 176.29 3ffz s PHE 334 N -3.19 2.82 0.04 3.45 0.08 -1.26 -4.68 117.98 115.24 3ffz s PHE 334 Ca 0.02 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.61 3ffz s PHE 334 Cb 0.08 -4.28 -0.02 0.00 -0.57 0.00 0.00 43.02 38.23 3ffz s PHE 334 CO 0.75 -1.26 -0.08 0.95 -0.10 0.00 0.00 175.22 175.47 3ffz s THR 335 N 4.26 0.58 0.26 0.64 -4.23 -1.26 -4.92 115.64 110.98 3ffz s THR 335 Ca 0.43 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 3ffz s THR 335 Cb -0.08 -0.64 0.24 0.00 1.34 0.00 0.00 72.50 73.36 3ffz s THR 335 CO 0.29 -0.36 1.77 -0.08 -0.54 0.00 0.00 174.62 175.70 3ffz h GLU 336 N 4.52 0.64 -0.54 3.99 4.81 -1.19 0.35 114.58 127.17 3ffz h GLU 336 Ca -0.36 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3ffz h GLU 336 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3ffz h GLU 336 CO 0.41 0.42 0.12 0.35 -0.73 0.00 0.00 179.01 179.59 3ffz h PHE 337 N 0.66 0.85 0.05 0.92 3.57 -1.27 0.14 116.94 121.86 3ffz h PHE 337 Ca 0.46 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.80 3ffz h PHE 337 Cb 0.63 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.12 3ffz h PHE 337 CO -0.08 0.72 -0.36 -0.44 -2.23 0.00 0.00 178.31 175.92 3ffz h ASP 338 N 0.80 0.16 -0.97 0.41 3.32 -1.56 -3.27 116.42 115.31 3ffz h ASP 338 Ca 0.17 -0.96 0.14 0.00 0.02 0.00 0.00 57.03 56.41 3ffz h ASP 338 Cb 0.30 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 3ffz h ASP 338 CO -0.00 1.17 0.61 -0.07 -1.72 0.00 0.00 179.24 179.23 3ffz h LEU 339 N -0.78 0.80 -1.39 1.55 3.38 -0.96 0.35 115.31 118.27 3ffz h LEU 339 Ca -0.07 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.12 3ffz h LEU 339 Cb 1.24 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 3ffz h LEU 339 CO 0.04 0.39 0.57 0.00 0.09 0.00 0.00 178.44 179.53 3ffz h ALA 340 N 1.58 1.99 0.00 1.53 0.00 -1.02 -0.04 119.26 123.31 3ffz h ALA 340 Ca 0.50 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.23 3ffz h ALA 340 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3ffz h ALA 340 CO -0.27 -0.25 -0.94 1.79 0.00 0.00 0.00 179.25 179.58 3ffz h THR 341 N 0.56 1.68 0.00 0.00 1.35 -0.37 -1.81 112.91 114.31 3ffz h THR 341 Ca 0.45 -3.23 -0.03 0.00 -0.55 0.00 0.00 66.41 63.05 3ffz h THR 341 Cb 0.91 2.74 -0.00 0.00 -1.73 0.00 0.00 68.15 70.07 3ffz h THR 341 CO -0.20 0.92 -0.17 0.11 -0.25 0.00 0.00 175.52 175.94 3ffz h LYS 342 N 0.00 0.00 -0.03 4.72 1.79 -0.57 -2.85 116.57 119.62 3ffz h LYS 342 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3ffz h LYS 342 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 3ffz h LYS 342 CO 0.12 0.17 0.00 1.19 -1.08 0.00 0.00 179.45 179.85 3ffz n PHE 343 N -3.35 0.01 -3.81 -1.35 3.72 -0.48 -4.96 117.46 107.23 3ffz n PHE 343 Ca -0.00 -0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 3ffz n PHE 343 Cb 0.38 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.95 3ffz n PHE 343 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3ffz n GLN 344 N 1.19 -5.05 -5.28 -1.08 7.27 -0.81 -4.98 117.38 108.64 3ffz n GLN 344 Ca 0.12 0.59 -0.31 0.00 0.07 0.00 0.00 57.00 57.48 3ffz n GLN 344 Cb 0.53 -5.26 -0.16 0.00 2.41 0.00 0.00 30.24 27.76 3ffz n GLN 344 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3ffz s VAL 345 N -3.54 2.02 0.33 1.69 -7.23 -0.75 -4.97 120.40 107.94 3ffz s VAL 345 Ca 0.27 -1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 3ffz s VAL 345 Cb -0.14 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 3ffz s VAL 345 CO 0.83 0.57 1.39 -0.75 -0.31 0.00 0.00 175.10 176.82 3ffz s LYS 346 N -0.55 4.27 0.06 4.82 2.47 -1.26 -4.60 119.74 124.95 3ffz s LYS 346 Ca 0.08 2.34 -0.03 0.00 -1.56 0.00 0.00 55.97 56.80 3ffz s LYS 346 Cb -0.10 -3.05 -0.03 0.00 -1.46 0.00 0.00 37.83 33.19 3ffz s LYS 346 CO -0.00 -0.34 0.03 0.00 0.16 0.00 0.00 175.35 175.20 3ffz s ARG 348 N -3.67 0.78 0.32 0.00 1.70 -1.26 -4.97 118.95 111.84 3ffz s ARG 348 Ca 0.04 1.00 0.22 0.00 -0.47 0.00 0.00 55.73 56.53 3ffz s ARG 348 Cb 0.06 -1.74 0.16 0.00 -0.57 0.00 0.00 34.95 32.86 3ffz s ARG 348 CO -0.09 -2.62 1.34 0.37 -1.08 0.00 0.00 175.30 173.22 3ffz h GLN 349 N -1.83 0.00 -3.62 3.89 4.15 -1.94 -3.48 115.11 112.29 3ffz h GLN 349 Ca -0.50 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 58.85 3ffz h GLN 349 Cb 1.29 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.86 3ffz h GLN 349 CO 0.51 0.05 -0.18 -0.08 -1.93 0.00 0.00 178.83 177.20 3ffz s THR 350 N -3.23 0.07 0.01 2.39 -1.32 -1.26 -4.45 115.64 107.84 3ffz s THR 350 Ca 0.03 -1.03 -0.17 0.00 -1.21 0.00 0.00 61.69 59.32 3ffz s THR 350 Cb 0.07 -1.56 -0.35 0.00 -1.51 0.00 0.00 72.50 69.16 3ffz s THR 350 CO 0.73 -0.31 0.95 0.22 -2.21 0.00 0.00 174.62 174.00 3ffz h TYR 351 N 2.45 0.89 -3.43 9.09 5.03 -1.91 -3.44 116.97 125.63 3ffz h TYR 351 Ca -0.32 -0.65 -0.52 0.00 2.58 0.00 0.00 58.73 59.82 3ffz h TYR 351 Cb 1.24 -0.04 0.04 0.00 1.55 0.00 0.00 36.73 39.52 3ffz h TYR 351 CO 0.38 1.53 0.66 0.96 -1.32 0.00 0.00 178.16 180.36 3ffz s ILE 352 N -2.56 3.12 0.00 1.81 -4.36 -1.26 -4.92 121.20 113.03 3ffz s ILE 352 Ca -0.11 0.94 0.00 0.00 -0.26 0.00 0.00 60.65 61.23 3ffz s ILE 352 Cb 0.04 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 40.14 3ffz s ILE 352 CO 0.92 0.15 0.00 0.61 0.24 0.00 0.00 174.94 176.86 3ffz n GLY 353 N 2.19 3.32 3.67 6.27 0.00 -1.26 -5.06 105.19 114.32 3ffz n GLY 353 Ca 0.06 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3ffz n GLY 353 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ffz s GLN 354 N -2.12 2.80 0.03 1.61 1.11 -1.26 -5.12 119.66 116.72 3ffz s GLN 354 Ca 0.00 -0.58 0.01 0.00 0.01 0.00 0.00 55.36 54.80 3ffz s GLN 354 Cb 0.00 -2.68 -0.02 0.00 -1.01 0.00 0.00 33.01 29.30 3ffz s GLN 354 CO 0.00 0.64 -0.05 0.71 0.01 0.00 0.00 175.29 176.60 3ffz s TYR 355 N -1.03 0.44 -0.21 0.91 2.02 -1.26 -4.95 117.35 113.27 3ffz s TYR 355 Ca 0.18 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 3ffz s TYR 355 Cb -0.11 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 3ffz s TYR 355 CO 0.08 -0.15 0.19 0.21 -1.57 0.00 0.00 175.55 174.31 3ffz s LYS 356 N -1.57 4.15 0.50 -0.62 2.47 -1.25 -4.90 119.74 118.51 3ffz s LYS 356 Ca -0.13 -0.17 -0.06 0.00 -1.56 0.00 0.00 55.97 54.05 3ffz s LYS 356 Cb -0.10 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.75 3ffz s LYS 356 CO -0.01 0.16 0.83 0.71 0.16 0.00 0.00 175.35 177.20 3ffz s TYR 357 N 0.75 3.57 0.18 4.03 2.02 -1.26 -1.35 117.35 125.28 3ffz s TYR 357 Ca 0.10 0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 57.65 3ffz s TYR 357 Cb -0.13 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 3ffz s TYR 357 CO 0.02 -0.34 0.20 -0.06 -1.57 0.00 0.00 175.55 173.80 3ffz s PHE 358 N -2.80 0.76 -0.06 2.71 0.40 -0.08 -4.92 117.98 113.99 3ffz s PHE 358 Ca 0.49 -1.08 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 3ffz s PHE 358 Cb -0.10 -0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.08 3ffz s PHE 358 CO 0.46 -0.68 0.37 0.21 0.70 0.00 0.00 175.22 176.28 3ffz s LYS 359 N -4.06 3.98 -0.05 0.44 2.20 -0.81 -1.62 119.74 119.82 3ffz s LYS 359 Ca 0.26 0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 56.00 3ffz s LYS 359 Cb 0.05 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 3ffz s LYS 359 CO 0.05 0.55 0.49 -0.51 -0.36 0.00 0.00 175.35 175.57 3ffz s LEU 360 N -0.58 4.37 0.65 5.43 1.43 0.81 -0.98 118.68 129.80 3ffz s LEU 360 Ca 0.22 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.09 3ffz s LEU 360 Cb -0.15 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 3ffz s LEU 360 CO 0.10 0.12 1.20 -0.44 0.23 0.00 0.00 176.35 177.56 3ffz s SER 361 N -0.08 4.85 -0.25 2.29 0.01 -0.12 -4.72 113.70 115.69 3ffz s SER 361 Ca 0.26 2.34 -0.13 0.00 1.31 0.00 0.00 55.95 59.73 3ffz s SER 361 Cb -0.16 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 3ffz s SER 361 CO 0.13 -1.82 0.83 -3.20 0.41 0.00 0.00 173.24 169.59 3ffz n ASN 362 N -2.05 0.19 0.25 2.44 4.05 -1.26 -4.81 115.26 114.08 3ffz n ASN 362 Ca 0.13 0.16 0.15 0.00 0.45 0.00 0.00 54.58 55.48 3ffz n ASN 362 Cb 0.50 -0.32 0.50 0.00 1.23 0.00 0.00 39.78 41.69 3ffz n ASN 362 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3ffz h LEU 363 N 3.57 0.00 -0.58 1.20 3.38 -1.95 -2.85 115.31 118.08 3ffz h LEU 363 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ffz h LEU 363 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ffz h LEU 363 CO 0.42 0.00 -0.09 -0.07 0.09 0.00 0.00 178.44 178.80 3ffz h LEU 364 N 0.00 0.00 -8.41 1.67 3.38 -1.89 -3.42 115.31 106.65 3ffz h LEU 364 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3ffz h LEU 364 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3ffz h LEU 364 CO 0.00 0.09 0.91 0.21 0.09 0.00 0.00 178.44 179.74 3ffz s ASN 365 N -6.08 4.68 0.00 -0.43 3.84 -1.08 -4.79 114.94 111.08 3ffz s ASN 365 Ca 0.04 0.17 0.00 0.00 0.21 0.00 0.00 52.86 53.28 3ffz s ASN 365 Cb 0.07 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 3ffz s ASN 365 CO 0.64 -2.99 0.37 0.47 -2.79 0.00 0.00 177.10 172.80 3ffz n ASP 366 N 15.36 0.00 -0.69 -4.21 9.92 -1.26 -1.35 116.55 134.32 3ffz n ASP 366 Ca 0.36 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.68 3ffz n ASP 366 Cb 0.49 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 41.14 3ffz n ASP 366 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3ffz n SER 367 N -0.87 3.09 0.00 -2.24 3.41 -1.26 -4.46 113.62 111.30 3ffz n SER 367 Ca 0.00 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 3ffz n SER 367 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3ffz n SER 367 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ffz n ILE 368 N 0.38 0.00 -3.68 -1.33 0.00 -0.46 -5.05 119.36 109.22 3ffz n ILE 368 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 62.75 62.78 3ffz n ILE 368 Cb 0.50 -0.56 -0.10 0.00 0.00 0.00 0.00 39.64 39.47 3ffz n ILE 368 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3ffz s TYR 369 N -1.65 -0.66 0.11 9.51 5.04 -1.14 -4.51 117.35 124.06 3ffz s TYR 369 Ca 0.00 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 56.01 3ffz s TYR 369 Cb 0.00 0.28 -0.04 0.00 0.35 0.00 0.00 41.96 42.55 3ffz s TYR 369 CO 0.00 -0.38 -0.05 0.54 -1.34 0.00 0.00 175.55 174.32 3ffz s ASN 370 N 1.71 1.16 0.18 4.32 2.20 -1.14 -4.21 114.94 119.16 3ffz s ASN 370 Ca -0.08 -1.04 -0.24 0.00 -0.94 0.00 0.00 52.86 50.56 3ffz s ASN 370 Cb -0.09 0.10 0.07 0.00 -2.00 0.00 0.00 41.25 39.33 3ffz s ASN 370 CO -0.13 -0.49 1.56 0.40 -2.94 0.00 0.00 177.10 175.50 3ffz h ILE 371 N 2.91 0.05 0.00 0.54 1.08 -1.90 0.54 117.51 120.72 3ffz h ILE 371 Ca -0.36 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 3ffz h ILE 371 Cb 1.17 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3ffz h ILE 371 CO 0.64 0.00 -0.20 0.77 -0.69 0.00 0.00 178.15 178.67 3ffz h SER 372 N -0.12 0.00 0.00 1.72 4.64 -1.94 -3.39 113.55 114.46 3ffz h SER 372 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3ffz h SER 372 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3ffz h SER 372 CO -0.82 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 174.72 3ffz n GLU 373 N -3.24 0.02 0.00 4.77 1.02 -1.14 -5.10 120.64 116.97 3ffz n GLU 373 Ca 0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3ffz n GLU 373 Cb 0.50 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 3ffz n GLU 373 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ffz n GLY 374 N -0.01 2.46 0.23 0.62 0.00 0.19 -1.52 105.19 107.16 3ffz n GLY 374 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.77 3ffz n GLY 374 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ffz h TYR 375 N 0.00 0.00 -2.47 1.61 0.05 -1.85 -3.02 116.97 111.29 3ffz h TYR 375 Ca 0.00 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.04 3ffz h TYR 375 Cb 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 37.55 3ffz h TYR 375 CO 0.00 0.20 1.09 -0.80 -1.05 0.00 0.00 178.16 177.60 3ffz s ASN 376 N -6.59 7.02 -0.21 3.88 0.02 -0.58 -4.45 114.94 114.04 3ffz s ASN 376 Ca -0.03 -2.91 -0.04 0.00 -1.02 0.00 0.00 52.86 48.86 3ffz s ASN 376 Cb 0.14 -2.37 -0.01 0.00 0.02 0.00 0.00 41.25 39.03 3ffz s ASN 376 CO 0.65 -0.73 -0.03 0.27 0.02 0.00 0.00 177.10 177.28 3ffz s ILE 377 N 1.30 3.56 0.00 0.60 -4.36 -1.26 -4.44 121.20 116.61 3ffz s ILE 377 Ca 0.38 -0.44 0.00 0.00 -0.26 0.00 0.00 60.65 60.34 3ffz s ILE 377 Cb -0.04 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3ffz s ILE 377 CO -0.03 0.43 0.00 0.59 0.24 0.00 0.00 174.94 176.17 3ffz n ASN 378 N 4.58 0.00 0.22 4.36 5.03 -1.26 -2.89 115.26 125.30 3ffz n ASN 378 Ca -0.18 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.40 3ffz n ASN 378 Cb 0.51 0.00 0.74 0.00 -1.02 0.00 0.00 39.78 40.02 3ffz n ASN 378 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ffz h ASN 379 N 0.00 0.00 0.00 6.41 -0.00 -2.01 -1.79 115.58 118.18 3ffz h ASN 379 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3ffz h ASN 379 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3ffz h ASN 379 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.61 3ffz n LEU 380 N -4.24 0.00 -0.60 6.14 4.77 -1.14 -2.99 117.00 118.95 3ffz n LEU 380 Ca -0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3ffz n LEU 380 Cb 0.20 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.71 3ffz n LEU 380 CO 0.32 0.00 0.81 2.29 -1.33 0.00 0.00 177.39 179.48 3ffz n LYS 381 N -0.78 1.81 -2.92 3.23 2.85 -0.67 -0.98 118.16 120.69 3ffz n LYS 381 Ca 0.08 -1.19 -0.41 0.00 -1.05 0.00 0.00 58.31 55.74 3ffz n LYS 381 Cb 0.04 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 32.91 3ffz n LYS 381 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3ffz s VAL 382 N -1.94 4.91 -1.98 0.58 1.01 -1.16 -3.44 120.40 118.38 3ffz s VAL 382 Ca 0.35 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3ffz s VAL 382 Cb 0.20 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3ffz s VAL 382 CO 0.31 0.06 0.00 0.59 0.00 0.00 0.00 175.10 176.07 3ffz n ASN 383 N 5.02 -4.95 -2.58 3.32 5.03 -1.26 -1.79 115.26 118.05 3ffz n ASN 383 Ca 0.03 0.45 -0.17 0.00 0.87 0.00 0.00 54.58 55.76 3ffz n ASN 383 Cb 0.49 -4.42 -0.00 0.00 -1.02 0.00 0.00 39.78 34.83 3ffz n ASN 383 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3ffz n PHE 384 N -2.28 -1.38 -0.40 3.10 3.72 -1.22 -4.84 117.46 114.16 3ffz n PHE 384 Ca -0.19 0.11 0.32 0.00 -0.05 0.00 0.00 57.45 57.64 3ffz n PHE 384 Cb 0.62 -3.41 0.61 0.00 -0.94 0.00 0.00 39.48 36.36 3ffz n PHE 384 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ffz h ARG 385 N -0.26 0.18 -0.05 -1.08 2.43 -1.13 0.52 114.38 114.99 3ffz h ARG 385 Ca -0.40 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3ffz h ARG 385 Cb 1.29 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3ffz h ARG 385 CO 0.47 0.12 0.07 0.78 -1.51 0.00 0.00 179.97 179.90 3ffz h GLY 386 N 0.19 0.00 -0.70 2.80 0.00 -1.28 0.27 103.07 104.35 3ffz h GLY 386 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.06 3ffz h GLY 386 CO -0.34 0.00 -0.37 -1.06 0.00 0.00 0.00 176.54 174.77 3ffz n GLN 387 N -3.72 1.20 -2.50 4.80 6.02 0.18 -4.65 117.38 118.71 3ffz n GLN 387 Ca -0.02 -0.92 -0.43 0.00 -0.01 0.00 0.00 57.00 55.63 3ffz n GLN 387 Cb 0.16 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 3ffz n GLN 387 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3ffz s ASN 388 N -2.44 6.84 0.22 1.08 3.84 0.08 -0.58 114.94 123.99 3ffz s ASN 388 Ca 0.21 1.28 -0.08 0.00 0.21 0.00 0.00 52.86 54.49 3ffz s ASN 388 Cb 0.19 -2.54 0.24 0.00 -0.55 0.00 0.00 41.25 38.59 3ffz s ASN 388 CO 0.53 -0.92 1.86 0.00 -2.79 0.00 0.00 177.10 175.78 3ffz h ALA 389 N 8.55 1.04 0.00 1.71 0.00 -1.34 0.41 119.26 129.64 3ffz h ALA 389 Ca -0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3ffz h ALA 389 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ffz h ALA 389 CO 1.01 0.29 -0.74 -0.91 0.00 0.00 0.00 179.25 178.91 3ffz h ASN 390 N 0.96 0.00 0.12 0.00 2.35 -1.91 -3.24 115.58 113.86 3ffz h ASN 390 Ca 0.32 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.71 3ffz h ASN 390 Cb 0.04 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 3ffz h ASN 390 CO -0.12 0.74 -2.20 0.18 -1.65 0.00 0.00 177.43 174.37 3ffz n LEU 391 N -3.41 1.71 -3.39 1.61 4.77 -1.08 -4.60 117.00 112.60 3ffz n LEU 391 Ca 0.00 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 3ffz n LEU 391 Cb 0.78 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3ffz n LEU 391 CO 0.43 0.70 0.27 -3.20 -1.33 0.00 0.00 177.39 174.26 3ffz n ASN 392 N -3.13 4.39 -0.15 -1.43 5.15 0.14 -4.95 115.26 115.28 3ffz n ASN 392 Ca -0.34 -3.51 0.12 0.00 -0.60 0.00 0.00 54.58 50.26 3ffz n ASN 392 Cb 1.06 -0.74 0.46 0.00 -0.53 0.00 0.00 39.78 40.03 3ffz n ASN 392 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3ffz h PRO 393 N 4.06 0.50 -1.11 1.20 0.11 -1.74 -3.21 132.00 131.81 3ffz h PRO 393 Ca 0.20 -0.03 0.31 0.00 0.11 0.00 0.00 66.00 66.59 3ffz h PRO 393 Cb 0.61 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 31.50 3ffz h PRO 393 CO 0.91 0.33 0.71 0.00 -0.21 0.00 0.00 178.00 179.74 3ffz h ARG 394 N 0.51 0.30 0.00 1.05 3.08 -1.92 -2.74 114.38 114.66 3ffz h ARG 394 Ca 0.34 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 3ffz h ARG 394 Cb 0.61 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3ffz h ARG 394 CO -0.11 0.20 -0.16 -0.84 -1.07 0.00 0.00 179.97 177.99 3ffz h ILE 395 N 0.31 0.91 -2.06 2.04 3.07 -1.93 -3.43 117.51 116.41 3ffz h ILE 395 Ca 0.65 -0.58 -0.60 0.00 1.55 0.00 0.00 64.86 65.88 3ffz h ILE 395 Cb 1.78 1.33 -0.14 0.00 -0.27 0.00 0.00 36.82 39.52 3ffz h ILE 395 CO -0.32 0.15 -0.68 0.27 -1.05 0.00 0.00 178.15 176.53 3ffz s ILE 396 N -4.47 2.12 -0.11 0.16 -4.36 -1.04 -0.94 121.20 112.56 3ffz s ILE 396 Ca -0.04 -2.19 -0.08 0.00 -0.26 0.00 0.00 60.65 58.09 3ffz s ILE 396 Cb 0.15 -2.62 0.04 0.00 1.25 0.00 0.00 42.46 41.27 3ffz s ILE 396 CO 0.65 -0.21 0.28 -0.89 0.24 0.00 0.00 174.94 175.01 3ffz s THR 397 N -2.69 -0.01 1.01 8.37 2.01 -0.15 -4.76 115.64 119.42 3ffz s THR 397 Ca 0.32 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 3ffz s THR 397 Cb 0.03 -0.41 0.19 0.00 0.01 0.00 0.00 72.50 72.32 3ffz s THR 397 CO 0.16 0.02 1.08 -2.84 -0.69 0.00 0.00 174.62 172.35 3ffz s PRO 398 N 0.60 0.34 -0.25 4.92 0.02 -1.26 -1.93 135.00 137.45 3ffz s PRO 398 Ca -0.04 0.63 -0.23 0.00 0.02 0.00 0.00 61.00 61.38 3ffz s PRO 398 Cb -0.05 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 3ffz s PRO 398 CO -0.04 -2.82 0.77 0.42 -0.33 0.00 0.00 177.00 175.01 3ffz s ILE 399 N -2.88 4.87 0.60 2.83 1.01 -1.26 -4.78 121.20 121.59 3ffz s ILE 399 Ca 0.66 1.43 0.29 0.00 0.00 0.00 0.00 60.65 63.03 3ffz s ILE 399 Cb -0.19 -4.07 0.40 0.00 0.01 0.00 0.00 42.46 38.60 3ffz s ILE 399 CO 0.59 -0.06 1.68 0.00 0.00 0.00 0.00 174.94 177.15 3ffz h THR 400 N 5.43 0.22 0.00 2.92 1.03 -2.05 -3.47 112.91 116.99 3ffz h THR 400 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 3ffz h THR 400 Cb 1.10 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 3ffz h THR 400 CO 0.85 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.97 3ffz n GLY 401 N -1.59 -0.39 3.75 2.99 0.00 -1.26 -5.15 105.19 103.53 3ffz n GLY 401 Ca 0.15 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 3ffz n GLY 401 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ffz s ARG 402 N 0.00 1.50 0.00 1.61 1.81 -1.26 -3.80 118.95 118.82 3ffz s ARG 402 Ca 0.00 0.75 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 3ffz s ARG 402 Cb 0.00 -1.84 0.00 0.00 -0.45 0.00 0.00 34.95 32.66 3ffz s ARG 402 CO 0.00 -2.05 0.00 0.41 -0.68 0.00 0.00 175.30 172.98 3ffz n GLY 403 N -1.45 2.81 3.67 -3.53 0.00 -1.26 -4.92 105.19 100.50 3ffz n GLY 403 Ca 0.07 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3ffz n GLY 403 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ffz s LEU 404 N 0.00 4.23 -0.08 0.99 2.96 -1.25 -0.72 118.68 124.81 3ffz s LEU 404 Ca 0.00 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 3ffz s LEU 404 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.15 3ffz s LEU 404 CO 0.00 -0.75 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.42 3ffz s VAL 405 N 3.25 1.51 0.05 1.68 1.01 -0.06 -5.00 120.40 122.84 3ffz s VAL 405 Ca 0.58 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3ffz s VAL 405 Cb -0.25 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3ffz s VAL 405 CO 0.19 0.44 -0.03 -0.54 0.00 0.00 0.00 175.10 175.16 3ffz s LYS 406 N 0.50 2.56 -0.37 2.72 3.01 -1.26 -1.32 119.74 125.58 3ffz s LYS 406 Ca -0.16 -0.77 -0.13 0.00 -1.01 0.00 0.00 55.97 53.90 3ffz s LYS 406 Cb -0.16 -2.54 0.01 0.00 -1.01 0.00 0.00 37.83 34.12 3ffz s LYS 406 CO 0.06 0.57 0.25 0.21 0.51 0.00 0.00 175.35 176.95 3ffz s LYS 407 N -1.90 3.14 -0.05 1.68 2.20 0.15 -4.53 119.74 120.43 3ffz s LYS 407 Ca 0.22 -0.89 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3ffz s LYS 407 Cb -0.11 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 3ffz s LYS 407 CO 0.13 -0.61 0.17 0.42 -0.36 0.00 0.00 175.35 175.10 3ffz s ILE 408 N 1.66 5.45 -0.13 5.43 1.01 -1.26 -0.78 121.20 132.58 3ffz s ILE 408 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3ffz s ILE 408 Cb -0.18 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3ffz s ILE 408 CO 0.09 0.43 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 3ffz s ILE 409 N -1.22 1.99 -0.14 2.92 1.09 -0.18 -4.08 121.20 121.58 3ffz s ILE 409 Ca 0.23 -0.94 -0.12 0.00 -1.10 0.00 0.00 60.65 58.72 3ffz s ILE 409 Cb -0.12 -1.76 -0.05 0.00 -1.06 0.00 0.00 42.46 39.47 3ffz s ILE 409 CO 0.13 0.54 0.24 -0.60 -0.10 0.00 0.00 174.94 175.15 3ffz s ARG 410 N 0.79 4.01 -0.08 2.79 3.52 0.41 -2.39 118.95 128.00 3ffz s ARG 410 Ca -0.08 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 3ffz s ARG 410 Cb -0.16 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3ffz s ARG 410 CO -0.01 0.44 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.68 3ffz s PHE 411 N -0.10 1.99 0.04 5.12 0.40 -0.78 0.46 117.98 125.11 3ffz s PHE 411 Ca 0.15 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 3ffz s PHE 411 Cb -0.13 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 3ffz s PHE 411 CO 0.04 -0.33 -0.09 0.00 0.70 0.00 0.00 175.22 175.54 3ffz s LYS 413 N -1.54 0.68 0.14 0.00 2.20 -0.29 -1.11 119.74 119.83 3ffz s LYS 413 Ca -0.08 0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 55.63 3ffz s LYS 413 Cb -0.10 0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 36.48 3ffz s LYS 413 CO 0.01 -0.14 0.89 -0.80 -0.36 0.00 0.00 175.35 174.94 3ffz s ASN 414 N -0.41 7.46 -0.04 1.43 0.01 -1.26 -1.36 114.94 120.77 3ffz s ASN 414 Ca -0.05 1.74 0.01 0.00 -0.71 0.00 0.00 52.86 53.85 3ffz s ASN 414 Cb -0.03 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.09 3ffz s ASN 414 CO 0.03 0.05 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.98 3ffz s ILE 415 N -0.49 0.64 -0.46 0.60 1.01 -0.04 -4.94 121.20 117.51 3ffz s ILE 415 Ca 0.42 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 3ffz s ILE 415 Cb -0.23 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.64 3ffz s ILE 415 CO 0.28 0.24 0.85 -0.69 0.00 0.00 0.00 174.94 175.63 3ffz s VAL 416 N 0.70 4.56 0.00 2.92 1.01 -1.25 -1.18 120.40 127.16 3ffz s VAL 416 Ca -0.10 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3ffz s VAL 416 Cb -0.13 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3ffz s VAL 416 CO 0.01 -0.78 0.00 -1.54 0.00 0.00 0.00 175.10 172.79 3ffz n SER 417 N 6.94 0.00 -4.42 3.32 3.41 0.17 -4.62 113.62 118.42 3ffz n SER 417 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3ffz n SER 417 Cb 0.48 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.31 3ffz n SER 417 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ffz n VAL 418 N -0.26 0.00 -2.44 -3.33 0.24 -1.26 -3.99 118.33 107.29 3ffz n VAL 418 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3ffz n VAL 418 Cb 0.00 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 3ffz n VAL 418 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3ffz n LYS 419 N 6.46 -0.97 0.00 7.34 4.81 -1.26 -4.39 118.16 130.15 3ffz n LYS 419 Ca 0.45 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.81 3ffz n LYS 419 Cb 0.33 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 34.74 3ffz n LYS 419 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ffz n GLY 420 N 2.23 1.24 3.41 3.14 0.00 -1.26 -5.08 105.19 108.88 3ffz n GLY 420 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ffz n GLY 420 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ffz s ILE 421 N -2.21 4.49 -0.55 -0.61 -1.09 -1.26 -4.94 121.20 115.02 3ffz s ILE 421 Ca 0.00 -0.55 -0.27 0.00 -2.23 0.00 0.00 60.65 57.61 3ffz s ILE 421 Cb 0.00 -3.33 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 3ffz s ILE 421 CO 0.00 0.01 1.10 -0.60 -1.23 0.00 0.00 174.94 174.22 3ffz s ARG 422 N 1.58 3.49 0.06 2.79 3.52 -1.26 0.43 118.95 129.56 3ffz s ARG 422 Ca 0.04 0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.83 3ffz s ARG 422 Cb -0.17 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 3ffz s ARG 422 CO 0.06 -1.57 -0.10 0.21 -0.81 0.00 0.00 175.30 173.09 3ffz s LYS 423 N 4.55 2.25 -0.19 5.12 2.20 -0.32 -4.93 119.74 128.41 3ffz s LYS 423 Ca 0.40 -0.92 -0.14 0.00 -0.36 0.00 0.00 55.97 54.94 3ffz s LYS 423 Cb -0.09 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 3ffz s LYS 423 CO 0.24 0.54 0.32 0.45 -0.36 0.00 0.00 175.35 176.54 3ffz s SER 424 N -1.82 6.38 -0.13 1.43 0.15 -1.26 -0.86 113.70 117.58 3ffz s SER 424 Ca 0.19 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.29 3ffz s SER 424 Cb -0.11 -2.19 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 3ffz s SER 424 CO 0.10 0.01 -0.17 -0.63 1.20 0.00 0.00 173.24 173.75 3ffz s ILE 425 N 0.96 2.58 -0.02 6.45 1.01 -0.46 -4.97 121.20 126.75 3ffz s ILE 425 Ca 0.16 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3ffz s ILE 425 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3ffz s ILE 425 CO 0.06 0.53 -0.24 0.00 0.00 0.00 0.00 174.94 175.29 3ffz s ILE 427 N -0.55 1.99 0.04 0.00 -4.36 0.13 -4.98 121.20 113.46 3ffz s ILE 427 Ca 0.09 -2.20 0.06 0.00 -0.26 0.00 0.00 60.65 58.34 3ffz s ILE 427 Cb -0.09 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.52 3ffz s ILE 427 CO -0.01 -0.46 -0.18 -1.61 0.24 0.00 0.00 174.94 172.92 3ffz s GLU 428 N -3.39 1.19 0.06 0.37 2.02 -1.26 -1.86 118.70 115.82 3ffz s GLU 428 Ca 0.23 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 3ffz s GLU 428 Cb -0.03 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.91 3ffz s GLU 428 CO 0.09 0.32 0.01 0.96 0.02 0.00 0.00 175.26 176.66 3ffz s ILE 429 N -0.80 0.20 0.05 -1.63 -4.36 -1.01 -4.98 121.20 108.67 3ffz s ILE 429 Ca 0.05 -1.63 -0.18 0.00 -0.26 0.00 0.00 60.65 58.63 3ffz s ILE 429 Cb -0.08 -1.41 -0.06 0.00 1.25 0.00 0.00 42.46 42.15 3ffz s ILE 429 CO 0.01 -0.90 0.53 0.21 0.24 0.00 0.00 174.94 175.03 3ffz s ASN 430 N -2.82 6.99 0.48 4.36 3.84 -1.26 -1.01 114.94 125.52 3ffz s ASN 430 Ca 0.05 1.17 0.40 0.00 0.21 0.00 0.00 52.86 54.69 3ffz s ASN 430 Cb 0.06 -2.33 1.56 0.00 -0.55 0.00 0.00 41.25 39.99 3ffz s ASN 430 CO -0.10 0.27 1.52 -3.20 -2.79 0.00 0.00 177.10 172.81 3ffz n ASN 431 N 1.84 0.11 0.24 -4.21 5.15 0.04 0.11 115.26 118.54 3ffz n ASN 431 Ca -0.11 1.18 0.16 0.00 -0.60 0.00 0.00 54.58 55.21 3ffz n ASN 431 Cb 0.51 -0.58 0.61 0.00 -0.53 0.00 0.00 39.78 39.78 3ffz n ASN 431 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 3ffz h GLY 432 N 0.00 0.00 2.00 8.20 0.00 -1.86 -2.85 103.07 108.55 3ffz h GLY 432 Ca 0.89 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 48.17 3ffz h GLY 432 CO -0.26 0.00 -0.22 0.83 0.00 0.00 0.00 176.54 176.89 3ffz h GLU 433 N 0.00 0.00 -7.20 4.80 5.08 0.44 -3.46 114.58 114.24 3ffz h GLU 433 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3ffz h GLU 433 Cb 0.53 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.98 3ffz h GLU 433 CO 0.00 0.22 0.09 -0.51 -1.00 0.00 0.00 179.01 177.81 3ffz s LEU 434 N -6.47 1.43 0.59 1.33 1.43 -1.08 -5.00 118.68 110.93 3ffz s LEU 434 Ca 0.03 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.66 3ffz s LEU 434 Cb 0.08 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3ffz s LEU 434 CO 0.67 -3.80 1.02 -0.36 0.23 0.00 0.00 176.35 174.11 3ffz s PHE 435 N -2.56 3.41 -0.22 0.29 0.40 -0.54 -4.56 117.98 114.19 3ffz s PHE 435 Ca 0.68 1.40 -0.04 0.00 -0.60 0.00 0.00 56.93 58.37 3ffz s PHE 435 Cb -0.24 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.48 3ffz s PHE 435 CO 0.62 -0.72 -0.04 0.12 0.70 0.00 0.00 175.22 175.90 3ffz s PHE 436 N -2.88 2.97 -0.12 0.36 5.36 -1.26 0.10 117.98 122.51 3ffz s PHE 436 Ca 0.58 -0.95 -0.04 0.00 -0.96 0.00 0.00 56.93 55.56 3ffz s PHE 436 Cb -0.12 -2.11 0.06 0.00 -0.34 0.00 0.00 43.02 40.51 3ffz s PHE 436 CO 0.44 -0.55 0.21 0.08 -1.46 0.00 0.00 175.22 173.94 3ffz s VAL 437 N 1.48 -0.33 0.59 3.12 1.01 -1.26 -4.51 120.40 120.49 3ffz s VAL 437 Ca 0.06 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 3ffz s VAL 437 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3ffz s VAL 437 CO -0.03 0.09 1.31 0.00 0.00 0.00 0.00 175.10 176.47 3ffz s ALA 438 N 2.35 2.60 0.76 5.51 0.00 -0.78 -0.98 121.76 131.22 3ffz s ALA 438 Ca 0.03 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 3ffz s ALA 438 Cb -0.13 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.53 3ffz s ALA 438 CO -0.08 -1.44 1.09 -1.54 0.00 0.00 0.00 175.76 173.80 3ffz s SER 439 N -1.22 4.59 0.09 0.00 1.04 0.64 -4.18 113.70 114.65 3ffz s SER 439 Ca 0.77 0.53 0.06 0.00 0.48 0.00 0.00 55.95 57.79 3ffz s SER 439 Cb -0.38 -1.08 -0.22 0.00 0.10 0.00 0.00 66.02 64.44 3ffz s SER 439 CO 0.42 -1.78 1.17 -0.08 0.98 0.00 0.00 173.24 173.95 3ffz h GLU 440 N -0.82 0.04 0.00 4.02 4.57 -1.94 -3.05 114.58 117.40 3ffz h GLU 440 Ca -0.45 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3ffz h GLU 440 Cb 1.31 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 3ffz h GLU 440 CO 0.60 0.96 0.00 0.27 -1.18 0.00 0.00 179.01 179.67 3ffz n ASN 441 N -3.34 0.00 0.20 1.04 6.94 -1.26 -1.64 115.26 117.20 3ffz n ASN 441 Ca -0.04 -0.11 0.08 0.00 -0.02 0.00 0.00 54.58 54.50 3ffz n ASN 441 Cb 0.97 -0.17 0.35 0.00 -2.36 0.00 0.00 39.78 38.57 3ffz n ASN 441 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3ffz h SER 442 N 0.00 0.00 -3.62 0.53 0.02 -1.79 -3.44 113.55 105.26 3ffz h SER 442 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3ffz h SER 442 Cb 0.07 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.44 3ffz h SER 442 CO 0.00 0.28 -0.70 -0.31 -1.14 0.00 0.00 176.83 174.96 3ffz s TYR 443 N -3.50 2.91 0.36 3.45 1.51 -0.65 -4.67 117.35 116.75 3ffz s TYR 443 Ca 0.01 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.14 3ffz s TYR 443 Cb 0.10 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 3ffz s TYR 443 CO 0.66 0.36 0.21 1.21 -1.11 0.00 0.00 175.55 176.88 3ffz s ASN 444 N -1.22 4.78 -1.15 2.29 3.84 -1.26 -5.00 114.94 117.23 3ffz s ASN 444 Ca 0.16 -0.78 -0.08 0.00 0.21 0.00 0.00 52.86 52.36 3ffz s ASN 444 Cb -0.11 -0.70 0.25 0.00 -0.55 0.00 0.00 41.25 40.14 3ffz s ASN 444 CO 0.06 -0.40 1.42 0.47 -2.79 0.00 0.00 177.10 175.86 3ffz n ASP 445 N -1.26 5.70 -0.64 -4.21 9.92 -1.26 -4.72 116.55 120.08 3ffz n ASP 445 Ca -0.02 -3.16 0.03 0.00 -0.53 0.00 0.00 54.79 51.11 3ffz n ASP 445 Cb 0.62 -1.39 0.11 0.00 -0.64 0.00 0.00 41.12 39.81 3ffz n ASP 445 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ffz n ASP 446 N 2.95 1.75 -0.01 -2.24 8.00 -1.26 -4.04 116.55 121.69 3ffz n ASP 446 Ca 0.30 -2.12 -0.00 0.00 0.71 0.00 0.00 54.79 53.67 3ffz n ASP 446 Cb 0.37 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3ffz n ASP 446 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ffz h ASN 447 N 1.31 0.00 0.00 -2.24 2.35 -1.96 -3.39 115.58 111.65 3ffz h ASN 447 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 3ffz h ASN 447 Cb 0.58 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.97 3ffz h ASN 447 CO 0.06 0.14 2.79 -0.38 -1.65 0.00 0.00 177.43 178.40 3ffz n ILE 448 N -2.72 2.70 -3.95 2.81 2.08 -1.26 -4.79 119.36 114.24 3ffz n ILE 448 Ca -0.01 -2.01 -0.31 0.00 0.56 0.00 0.00 62.75 60.99 3ffz n ILE 448 Cb 0.02 -2.37 -0.14 0.00 -0.75 0.00 0.00 39.64 36.40 3ffz n ILE 448 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3ffz s ASN 449 N 3.76 4.61 -0.15 4.38 3.84 -1.26 -4.90 114.94 125.22 3ffz s ASN 449 Ca 0.52 -2.64 -0.13 0.00 0.21 0.00 0.00 52.86 50.82 3ffz s ASN 449 Cb 0.14 -1.66 -0.06 0.00 -0.55 0.00 0.00 41.25 39.11 3ffz s ASN 449 CO 0.00 -0.31 0.52 0.35 -2.79 0.00 0.00 177.10 174.87 3ffz n THR 450 N 3.64 0.00 -4.41 -5.21 -2.24 -1.26 -4.95 114.28 99.84 3ffz n THR 450 Ca 0.04 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 3ffz n THR 450 Cb 0.37 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 3ffz n THR 450 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ffz s PRO 451 N 1.15 3.37 -0.39 -0.78 0.04 -1.26 -5.08 135.00 132.06 3ffz s PRO 451 Ca 0.32 -0.67 -0.19 0.00 0.04 0.00 0.00 61.00 60.51 3ffz s PRO 451 Cb -0.44 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.34 3ffz s PRO 451 CO 0.23 0.05 0.53 0.15 0.04 0.00 0.00 177.00 177.99 3ffz s LYS 452 N 0.80 3.43 0.30 4.56 1.02 -1.26 -2.44 119.74 126.15 3ffz s LYS 452 Ca -0.04 -0.33 0.09 0.00 0.02 0.00 0.00 55.97 55.70 3ffz s LYS 452 Cb -0.15 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.24 3ffz s LYS 452 CO 0.01 -0.78 0.11 -2.00 -0.92 0.00 0.00 175.35 171.77 3ffz s GLU 453 N 2.45 2.43 0.00 1.68 2.56 -1.10 -4.95 118.70 121.76 3ffz s GLU 453 Ca 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 54.97 53.72 3ffz s GLU 453 Cb -0.15 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.75 3ffz s GLU 453 CO 0.15 0.23 0.00 -0.89 -0.56 0.00 0.00 175.26 174.19 3ffz n ILE 454 N -1.08 -2.17 -1.38 -3.70 2.08 -1.26 -3.78 119.36 108.07 3ffz n ILE 454 Ca -0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.26 3ffz n ILE 454 Cb 0.60 -3.37 0.00 0.00 -0.75 0.00 0.00 39.64 36.12 3ffz n ILE 454 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3ffz n ASP 455 N 0.00 0.00 -2.96 4.38 8.00 -1.26 -4.86 116.55 119.85 3ffz n ASP 455 Ca 0.00 -0.84 -0.01 0.00 0.71 0.00 0.00 54.79 54.64 3ffz n ASP 455 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3ffz n ASP 455 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ffz n ASP 456 N 0.00 -5.81 -3.21 -2.24 9.92 -1.26 -5.05 116.55 108.90 3ffz n ASP 456 Ca 0.00 1.02 -0.15 0.00 -0.53 0.00 0.00 54.79 55.13 3ffz n ASP 456 Cb 0.21 -2.57 -0.04 0.00 -0.64 0.00 0.00 41.12 38.08 3ffz n ASP 456 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ffz s THR 457 N -0.32 0.00 -0.15 -3.53 -4.23 -1.26 -5.13 115.64 101.02 3ffz s THR 457 Ca -0.07 -1.60 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 3ffz s THR 457 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 3ffz s THR 457 CO 0.22 0.00 0.77 -0.69 -0.54 0.00 0.00 174.62 174.38 3ffz s VAL 458 N -3.01 4.94 -2.00 2.29 1.01 -1.26 -4.91 120.40 117.46 3ffz s VAL 458 Ca 0.31 1.53 0.12 0.00 0.00 0.00 0.00 61.98 63.93 3ffz s VAL 458 Cb -0.01 -4.09 0.34 0.00 0.00 0.00 0.00 36.38 32.63 3ffz s VAL 458 CO 0.21 0.09 1.37 0.35 0.00 0.00 0.00 175.10 177.12 3ffz n THR 459 N 4.49 0.00 -4.95 3.92 -2.24 -1.26 -5.23 114.28 109.02 3ffz n THR 459 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ffz n THR 459 Cb 0.50 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3ffz n THR 459 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ffz n SER 460 N -0.71 -4.33 0.00 3.42 2.88 -1.26 -4.99 113.62 108.63 3ffz n SER 460 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 3ffz n SER 460 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 3ffz n SER 460 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ffz n ASN 466 N -2.82 0.00 -3.15 -3.46 6.94 -1.26 -4.27 115.26 107.25 3ffz n ASN 466 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.51 3ffz n ASN 466 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3ffz n ASN 466 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3ffz n ASP 467 N 0.00 -7.37 0.10 0.53 8.00 -1.26 -4.71 116.55 111.84 3ffz n ASP 467 Ca 0.00 -0.14 -0.20 0.00 0.71 0.00 0.00 54.79 55.17 3ffz n ASP 467 Cb 0.00 -4.75 -0.12 0.00 -0.02 0.00 0.00 41.12 36.23 3ffz n ASP 467 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ffz h LEU 468 N 0.54 0.73 -2.68 0.64 5.85 -1.93 -2.89 115.31 115.58 3ffz h LEU 468 Ca -0.10 -0.68 -0.00 0.00 0.84 0.00 0.00 57.88 57.93 3ffz h LEU 468 Cb 1.06 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3ffz h LEU 468 CO 0.30 1.50 -0.01 0.44 -0.34 0.00 0.00 178.44 180.33 3ffz h ASP 469 N 0.22 0.00 -0.00 1.25 3.32 -1.95 -2.44 116.42 116.81 3ffz h ASP 469 Ca -0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ffz h ASP 469 Cb 1.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.44 3ffz h ASP 469 CO 0.22 0.01 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.13 3ffz h GLN 470 N 0.00 0.02 -0.32 3.56 5.75 -1.88 -2.65 115.11 119.59 3ffz h GLN 470 Ca -0.00 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3ffz h GLN 470 Cb 0.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3ffz h GLN 470 CO 0.00 0.63 0.02 -0.39 -2.65 0.00 0.00 178.83 176.44 3ffz h VAL 471 N -0.60 1.18 -0.62 2.39 -1.51 -1.37 -2.50 116.25 113.21 3ffz h VAL 471 Ca -0.00 -0.69 -0.03 0.00 -1.23 0.00 0.00 66.70 64.75 3ffz h VAL 471 Cb 0.63 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 3ffz h VAL 471 CO 0.00 0.24 0.27 0.40 -1.23 0.00 0.00 177.57 177.25 3ffz h ILE 472 N 0.46 1.23 0.00 7.19 2.04 -1.52 -2.54 117.51 124.37 3ffz h ILE 472 Ca 0.10 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3ffz h ILE 472 Cb 0.28 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3ffz h ILE 472 CO 0.01 0.27 -0.12 -0.11 0.00 0.00 0.00 178.15 178.20 3ffz n LEU 473 N -4.46 4.61 -3.11 1.44 7.94 -0.94 -4.41 117.00 118.06 3ffz n LEU 473 Ca 0.04 -2.41 0.02 0.00 -1.11 0.00 0.00 56.01 52.56 3ffz n LEU 473 Cb 0.15 -1.09 -0.00 0.00 0.53 0.00 0.00 43.42 43.01 3ffz n LEU 473 CO 0.39 1.10 0.19 0.20 -1.11 0.00 0.00 177.39 178.16 3ffz s ASN 474 N 2.06 -1.26 0.00 1.96 0.01 -0.96 -4.90 114.94 111.85 3ffz s ASN 474 Ca 0.25 -0.41 0.06 0.00 -0.71 0.00 0.00 52.86 52.05 3ffz s ASN 474 Cb 0.12 1.66 0.33 0.00 0.41 0.00 0.00 41.25 43.77 3ffz s ASN 474 CO 0.00 -0.17 0.77 0.49 -1.51 0.00 0.00 177.10 176.68 3ffz n PHE 475 N 4.55 0.00 -1.02 2.20 3.01 -1.26 -3.61 117.46 121.34 3ffz n PHE 475 Ca 0.09 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.64 3ffz n PHE 475 Cb 0.58 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.27 3ffz n PHE 475 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3ffz n ASN 476 N -0.69 3.44 -0.05 4.37 4.13 -1.26 -4.23 115.26 120.96 3ffz n ASN 476 Ca 0.04 -3.04 0.06 0.00 1.68 0.00 0.00 54.58 53.32 3ffz n ASN 476 Cb 0.02 -0.51 0.09 0.00 -1.54 0.00 0.00 39.78 37.83 3ffz n ASN 476 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3ffz n SER 477 N -0.78 2.16 -0.06 6.41 2.88 -1.24 -4.30 113.62 118.69 3ffz n SER 477 Ca 0.20 -2.67 0.01 0.00 -1.33 0.00 0.00 58.87 55.08 3ffz n SER 477 Cb 0.82 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 3ffz n SER 477 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3ffz n GLU 478 N -1.07 2.46 -1.32 -1.46 1.02 -1.26 -4.85 120.64 114.16 3ffz n GLU 478 Ca 0.10 -1.42 0.15 0.00 -0.02 0.00 0.00 57.16 55.97 3ffz n GLU 478 Cb 0.50 -1.03 -0.08 0.00 -0.02 0.00 0.00 31.44 30.82 3ffz n GLU 478 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ffz n SER 479 N -0.34 -6.79 -0.14 1.62 7.64 -1.26 -4.85 113.62 109.51 3ffz n SER 479 Ca 0.01 1.22 -0.29 0.00 1.01 0.00 0.00 58.87 60.82 3ffz n SER 479 Cb 0.23 -4.49 -0.10 0.00 -1.01 0.00 0.00 64.21 58.85 3ffz n SER 479 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ffz n ALA 480 N -4.05 1.25 -1.76 -0.43 0.00 -1.26 -4.97 120.51 109.29 3ffz n ALA 480 Ca -0.08 -1.08 -0.36 0.00 0.00 0.00 0.00 53.44 51.92 3ffz n ALA 480 Cb 0.60 0.14 0.02 0.00 0.00 0.00 0.00 19.45 20.21 3ffz n ALA 480 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ffz s PRO 481 N -2.50 3.22 0.11 0.00 0.02 -1.26 -4.99 135.00 129.61 3ffz s PRO 481 Ca -0.38 1.80 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 3ffz s PRO 481 Cb 0.14 -2.06 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3ffz s PRO 481 CO 0.48 -1.00 1.32 0.78 -0.33 0.00 0.00 177.00 178.25 3ffz h GLY 482 N 1.22 0.79 0.00 0.52 0.00 -1.99 -3.48 103.07 100.13 3ffz h GLY 482 Ca -0.50 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 45.68 3ffz h GLY 482 CO 0.57 1.02 0.00 1.47 0.00 0.00 0.00 176.54 179.60 3ffz n LEU 483 N -3.91 0.00 -3.78 3.11 -0.00 -1.26 -4.90 117.00 106.26 3ffz n LEU 483 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.87 3ffz n LEU 483 Cb 0.76 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.16 3ffz n LEU 483 CO 0.52 0.00 0.55 -0.55 -0.00 0.00 0.00 177.39 177.92 3ffz s SER 484 N 0.00 -0.26 0.00 1.45 0.15 -1.26 -4.94 113.70 108.84 3ffz s SER 484 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3ffz s SER 484 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3ffz s SER 484 CO 0.00 -1.15 0.00 -0.67 1.20 0.00 0.00 173.24 172.62 3ffz n ASP 485 N -0.45 0.00 -4.47 5.45 -0.08 -1.26 -4.55 116.55 111.19 3ffz n ASP 485 Ca -0.06 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.89 3ffz n ASP 485 Cb 0.60 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.18 3ffz n ASP 485 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ffz n GLU 486 N 0.00 -0.14 -0.01 -0.67 4.71 -1.26 -4.79 120.64 118.48 3ffz n GLU 486 Ca 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 57.16 57.14 3ffz n GLU 486 Cb 0.00 -1.94 -0.01 0.00 -1.01 0.00 0.00 31.44 28.48 3ffz n GLU 486 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3ffz n LYS 487 N -1.83 0.06 0.00 3.49 2.85 -1.26 -2.86 118.16 118.61 3ffz n LYS 487 Ca 0.08 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3ffz n LYS 487 Cb 0.52 -0.96 0.00 0.00 -0.65 0.00 0.00 35.03 33.95 3ffz n LYS 487 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 3ffz n LEU 488 N -2.68 0.00 0.00 -5.58 -0.00 -1.26 -2.56 117.00 104.92 3ffz n LEU 488 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.95 3ffz n LEU 488 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.98 3ffz n LEU 488 CO 0.02 0.00 0.02 -0.46 -0.00 0.00 0.00 177.39 176.97 3ffz n ASN 489 N 0.00 -1.32 -4.51 1.45 6.94 -1.26 -3.48 115.26 113.07 3ffz n ASN 489 Ca 0.00 -0.04 -0.39 0.00 -0.02 0.00 0.00 54.58 54.12 3ffz n ASN 489 Cb 0.00 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 3ffz n ASN 489 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ffz s LEU 490 N 0.00 4.30 1.11 -4.53 1.02 -1.26 -3.83 118.68 115.48 3ffz s LEU 490 Ca 0.03 -0.38 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 3ffz s LEU 490 Cb -0.01 -2.09 0.08 0.00 0.02 0.00 0.00 46.19 44.20 3ffz s LEU 490 CO 0.03 -0.19 -0.08 1.07 0.02 0.00 0.00 176.35 177.19 3ffz n THR 491 N 5.06 0.00 0.00 5.49 5.66 -1.26 -5.00 114.28 124.23 3ffz n THR 491 Ca -0.13 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3ffz n THR 491 Cb 0.50 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 3ffz n THR 491 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3ffz n ILE 492 N -4.34 0.00 -3.12 1.09 -6.64 -1.26 -5.12 119.36 99.98 3ffz n ILE 492 Ca 0.01 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 60.80 3ffz n ILE 492 Cb 0.63 -0.59 0.01 0.00 -1.44 0.00 0.00 39.64 38.25 3ffz n ILE 492 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ffz s GLN 493 N -1.66 2.69 -0.45 6.28 0.00 -1.26 -5.08 119.66 120.18 3ffz s GLN 493 Ca 0.00 -1.37 0.07 0.00 -0.00 0.00 0.00 55.36 54.07 3ffz s GLN 493 Cb 0.00 -2.67 0.25 0.00 0.00 0.00 0.00 33.01 30.59 3ffz s GLN 493 CO 0.00 -0.36 0.56 -1.71 0.00 0.00 0.00 175.29 173.79 3ffz n ASN 494 N -1.86 0.95 -0.81 12.60 4.05 -1.26 -4.77 115.26 124.16 3ffz n ASN 494 Ca 0.08 -2.85 -0.00 0.00 0.45 0.00 0.00 54.58 52.27 3ffz n ASN 494 Cb 0.60 -0.64 0.05 0.00 1.23 0.00 0.00 39.78 41.02 3ffz n ASN 494 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3ffz n ASP 495 N 1.34 2.01 -4.97 1.20 3.85 -1.26 -4.89 116.55 113.83 3ffz n ASP 495 Ca 0.23 -2.16 -0.21 0.00 -0.71 0.00 0.00 54.79 51.95 3ffz n ASP 495 Cb 0.50 -0.53 -0.00 0.00 -1.35 0.00 0.00 41.12 39.74 3ffz n ASP 495 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ffz s ALA 496 N -1.07 3.98 0.00 2.12 0.00 -1.26 0.24 121.76 125.77 3ffz s ALA 496 Ca 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3ffz s ALA 496 Cb 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3ffz s ALA 496 CO 0.02 -0.13 0.00 0.98 0.00 0.00 0.00 175.76 176.64 3ffz n TYR 497 N -1.78 0.00 -4.54 0.00 4.19 -1.05 -4.01 117.16 109.96 3ffz n TYR 497 Ca -0.01 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.77 3ffz n TYR 497 Cb 0.58 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.33 3ffz n TYR 497 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28 3ffz n ILE 498 N 0.00 -0.02 -2.22 2.97 3.06 -1.26 -4.95 119.36 116.93 3ffz n ILE 498 Ca 0.00 -0.01 -0.08 0.00 -2.50 0.00 0.00 62.75 60.16 3ffz n ILE 498 Cb 0.00 -0.51 0.05 0.00 0.54 0.00 0.00 39.64 39.72 3ffz n ILE 498 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3ffz n PRO 499 N -4.07 0.25 -2.14 9.51 -0.04 -1.26 -4.79 135.00 132.46 3ffz n PRO 499 Ca 0.11 -0.91 -0.01 0.00 -0.04 0.00 0.00 63.50 62.64 3ffz n PRO 499 Cb 0.45 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 3ffz n PRO 499 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ffz n LYS 500 N -1.69 -1.59 -2.05 0.54 5.02 -1.25 -4.99 118.16 112.15 3ffz n LYS 500 Ca 0.06 1.56 -0.39 0.00 -2.02 0.00 0.00 58.31 57.52 3ffz n LYS 500 Cb 0.20 -3.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.84 3ffz n LYS 500 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3ffz s TYR 501 N -1.18 2.72 -0.53 2.13 5.04 0.03 -4.93 117.35 120.63 3ffz s TYR 501 Ca 0.04 1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 55.86 3ffz s TYR 501 Cb -0.01 -3.62 0.04 0.00 0.35 0.00 0.00 41.96 38.71 3ffz s TYR 501 CO 0.40 -2.11 0.97 0.34 -1.34 0.00 0.00 175.55 173.81 3ffz s ASP 502 N -0.95 6.39 -0.12 4.32 3.68 -1.26 -4.98 116.67 123.75 3ffz s ASP 502 Ca 0.62 -0.18 -0.29 0.00 2.13 0.00 0.00 52.55 54.82 3ffz s ASP 502 Cb -0.36 -2.45 -0.03 0.00 -1.45 0.00 0.00 42.92 38.63 3ffz s ASP 502 CO 0.45 -1.22 1.31 -0.55 0.13 0.00 0.00 175.17 175.29 3ffz s SER 503 N 2.72 6.92 -0.14 -0.34 0.15 -1.26 -4.89 113.70 116.86 3ffz s SER 503 Ca 0.34 1.82 0.16 0.00 0.70 0.00 0.00 55.95 58.96 3ffz s SER 503 Cb -0.11 -2.54 0.70 0.00 -1.71 0.00 0.00 66.02 62.35 3ffz s SER 503 CO 0.22 -0.74 1.59 -3.20 1.20 0.00 0.00 173.24 172.31 3ffz n ASN 504 N 6.29 4.75 -4.90 5.45 5.15 -1.26 -4.96 115.26 125.79 3ffz n ASN 504 Ca 0.14 -2.56 -0.31 0.00 -0.60 0.00 0.00 54.58 51.25 3ffz n ASN 504 Cb 0.45 -0.60 -0.05 0.00 -0.53 0.00 0.00 39.78 39.05 3ffz n ASN 504 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3ffz s GLY 505 N -0.81 2.20 0.25 8.20 0.00 -1.26 0.41 107.32 116.30 3ffz s GLY 505 Ca 0.48 -0.53 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 3ffz s GLY 505 CO 0.20 -0.44 0.47 -0.51 0.00 0.00 0.00 173.10 172.82 3ffz s THR 506 N -1.72 0.00 0.00 0.90 -4.23 0.52 -4.70 115.64 106.42 3ffz s THR 506 Ca 0.42 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3ffz s THR 506 Cb -0.12 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.52 3ffz s THR 506 CO 0.25 -0.00 0.75 -1.54 -0.54 0.00 0.00 174.62 173.53 3ffz n SER 507 N -0.38 1.27 -4.22 3.99 3.41 -1.26 0.11 113.62 116.54 3ffz n SER 507 Ca -0.02 -1.56 -0.38 0.00 -0.26 0.00 0.00 58.87 56.66 3ffz n SER 507 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 3ffz n SER 507 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3ffz s ASP 508 N -0.56 5.36 -0.04 4.04 -4.77 -1.26 -4.88 116.67 114.56 3ffz s ASP 508 Ca 0.00 -1.53 -0.30 0.00 -3.30 0.00 0.00 52.55 47.42 3ffz s ASP 508 Cb 0.00 -1.88 -0.03 0.00 -1.09 0.00 0.00 42.92 39.92 3ffz s ASP 508 CO 0.00 -0.45 1.17 -0.63 0.70 0.00 0.00 175.17 175.96 3ffz s ILE 509 N 1.32 4.29 0.25 2.11 1.01 -1.26 -4.98 121.20 123.94 3ffz s ILE 509 Ca 0.02 1.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.99 3ffz s ILE 509 Cb -0.22 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 3ffz s ILE 509 CO 0.00 0.03 1.58 -0.70 0.00 0.00 0.00 174.94 175.85 3ffz s GLU 510 N 1.96 4.16 0.02 2.79 2.12 -1.26 -4.91 118.70 123.58 3ffz s GLU 510 Ca 0.56 2.50 0.01 0.00 0.36 0.00 0.00 54.97 58.39 3ffz s GLU 510 Cb -0.25 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 3ffz s GLU 510 CO 0.23 -0.61 -0.04 -1.14 -0.54 0.00 0.00 175.26 173.16 3ffz s GLN 511 N 0.06 0.34 -0.04 4.30 0.74 -1.26 -0.45 119.66 123.35 3ffz s GLN 511 Ca 0.66 -0.43 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 3ffz s GLN 511 Cb -0.46 -0.15 0.03 0.00 1.10 0.00 0.00 33.01 33.53 3ffz s GLN 511 CO 0.42 0.03 0.02 -1.01 -0.55 0.00 0.00 175.29 174.20 3ffz s HIS 512 N -0.84 0.29 -0.24 1.67 3.76 0.17 -4.93 115.29 115.18 3ffz s HIS 512 Ca -0.07 0.06 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 3ffz s HIS 512 Cb -0.06 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 3ffz s HIS 512 CO -0.00 -0.19 0.58 -0.51 -0.85 0.00 0.00 174.74 173.77 3ffz s ASP 513 N 1.63 6.55 0.23 1.40 1.01 -1.26 -1.51 116.67 124.72 3ffz s ASP 513 Ca -0.01 0.67 0.11 0.00 0.71 0.00 0.00 52.55 54.03 3ffz s ASP 513 Cb -0.13 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 3ffz s ASP 513 CO -0.03 -0.31 -0.18 0.68 0.21 0.00 0.00 175.17 175.54 3ffz s VAL 514 N 2.24 2.62 -0.99 -1.27 -7.23 -0.27 -4.97 120.40 110.54 3ffz s VAL 514 Ca 0.25 -2.08 0.23 0.00 -1.81 0.00 0.00 61.98 58.57 3ffz s VAL 514 Cb -0.16 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.37 3ffz s VAL 514 CO 0.09 -0.23 1.19 0.59 -0.31 0.00 0.00 175.10 176.43 3ffz n ASN 515 N -0.16 0.71 -3.94 4.85 3.02 -1.26 -4.46 115.26 114.03 3ffz n ASN 515 Ca -0.09 -0.56 -0.13 0.00 -0.03 0.00 0.00 54.58 53.77 3ffz n ASN 515 Cb 0.57 0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 40.19 3ffz n ASN 515 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ffz s GLU 516 N -3.01 0.24 1.02 3.52 0.41 -1.26 -5.01 118.70 114.62 3ffz s GLU 516 Ca 0.10 -0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.29 3ffz s GLU 516 Cb 0.17 -0.13 0.20 0.00 -1.78 0.00 0.00 34.13 32.58 3ffz s GLU 516 CO 0.77 0.03 1.05 1.28 -0.49 0.00 0.00 175.26 177.90 3ffz n LEU 517 N 2.59 1.33 0.00 1.80 4.77 -1.26 -5.04 117.00 121.18 3ffz n LEU 517 Ca -0.16 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 3ffz n LEU 517 Cb 0.58 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 3ffz n LEU 517 CO 0.24 -2.65 0.04 -0.46 -1.33 0.00 0.00 177.39 173.23 3ffz n ASN 518 N -4.37 -0.98 -0.07 -1.43 0.23 -1.26 -5.04 115.26 102.35 3ffz n ASN 518 Ca 0.08 -2.87 0.06 0.00 -0.53 0.00 0.00 54.58 51.32 3ffz n ASN 518 Cb 0.53 1.97 0.42 0.00 -2.08 0.00 0.00 39.78 40.62 3ffz n ASN 518 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3ffz h VAL 519 N 1.96 1.04 -0.16 3.53 3.04 -1.88 -2.00 116.25 121.79 3ffz h VAL 519 Ca -0.23 -0.20 -0.09 0.00 -1.01 0.00 0.00 66.70 65.16 3ffz h VAL 519 Cb 1.10 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3ffz h VAL 519 CO 0.33 0.11 -0.30 -0.26 -1.01 0.00 0.00 177.57 176.44 3ffz h PHE 520 N 0.59 0.34 -0.48 3.17 0.04 -1.97 0.98 116.94 119.61 3ffz h PHE 520 Ca 0.22 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 3ffz h PHE 520 Cb 0.14 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3ffz h PHE 520 CO -0.00 0.57 -0.22 0.74 -0.60 0.00 0.00 178.31 178.80 3ffz h PHE 521 N 0.26 1.14 -0.59 -0.55 0.04 -1.78 -1.25 116.94 114.21 3ffz h PHE 521 Ca 0.04 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3ffz h PHE 521 Cb 0.67 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3ffz h PHE 521 CO 0.01 1.10 0.18 1.88 -0.60 0.00 0.00 178.31 180.89 3ffz h TYR 522 N 0.85 0.96 0.00 -0.55 0.05 -0.99 -1.71 116.97 115.57 3ffz h TYR 522 Ca 0.11 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 3ffz h TYR 522 Cb 0.80 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3ffz h TYR 522 CO 0.05 0.80 -0.52 -0.07 -1.05 0.00 0.00 178.16 177.37 3ffz h LEU 523 N 0.84 0.00 -0.28 3.88 3.38 -0.69 -3.13 115.31 119.30 3ffz h LEU 523 Ca 0.19 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 3ffz h LEU 523 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ffz h LEU 523 CO -0.01 0.52 -0.81 -0.78 0.09 0.00 0.00 178.44 177.46 3ffz h ASP 524 N 0.00 0.60 0.33 -0.43 3.58 -0.91 -3.08 116.42 116.50 3ffz h ASP 524 Ca -0.01 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 3ffz h ASP 524 Cb 0.93 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 3ffz h ASP 524 CO 0.07 1.19 -0.03 0.00 -2.88 0.00 0.00 179.24 177.58 3ffz h ALA 525 N 0.79 1.13 -0.01 -0.78 0.00 -1.27 -0.26 119.26 118.87 3ffz h ALA 525 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ffz h ALA 525 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ffz h ALA 525 CO 0.15 0.04 -0.14 1.04 0.00 0.00 0.00 179.25 180.33 3ffz n GLN 526 N -3.31 0.76 -3.22 0.00 6.02 -1.16 -2.31 117.38 114.16 3ffz n GLN 526 Ca -0.02 -0.32 -0.39 0.00 -0.01 0.00 0.00 57.00 56.26 3ffz n GLN 526 Cb 0.17 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3ffz n GLN 526 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3ffz s LYS 527 N -2.46 4.26 -0.13 -1.09 1.02 -0.11 -4.68 119.74 116.54 3ffz s LYS 527 Ca 0.28 0.80 -0.24 0.00 0.02 0.00 0.00 55.97 56.84 3ffz s LYS 527 Cb 0.20 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3ffz s LYS 527 CO 0.48 0.61 0.75 0.54 -0.92 0.00 0.00 175.35 176.81 3ffz s VAL 528 N -1.15 4.97 0.27 3.17 0.11 -1.26 -4.97 120.40 121.53 3ffz s VAL 528 Ca 0.31 1.49 -0.30 0.00 -2.93 0.00 0.00 61.98 60.55 3ffz s VAL 528 Cb -0.20 -4.07 -0.10 0.00 -1.53 0.00 0.00 36.38 30.48 3ffz s VAL 528 CO 0.20 0.13 1.39 -2.16 -3.33 0.00 0.00 175.10 171.32 3ffz s PRO 529 N 1.60 4.31 0.06 1.54 0.04 -1.26 -4.90 135.00 136.39 3ffz s PRO 529 Ca 0.36 2.25 -0.37 0.00 0.04 0.00 0.00 61.00 63.28 3ffz s PRO 529 Cb -0.17 -3.11 -0.19 0.00 0.04 0.00 0.00 34.50 31.07 3ffz s PRO 529 CO 0.14 -0.33 0.99 -1.91 0.04 0.00 0.00 177.00 175.93 3ffz n GLU 530 N 1.93 0.16 -3.16 4.56 4.07 -1.26 -2.90 120.64 124.03 3ffz n GLU 530 Ca 0.05 0.06 -0.05 0.00 -0.06 0.00 0.00 57.16 57.15 3ffz n GLU 530 Cb 0.41 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 3ffz n GLU 530 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ffz n GLY 531 N 1.70 -1.23 3.19 8.31 0.00 -1.26 -5.02 105.19 110.88 3ffz n GLY 531 Ca 0.19 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.81 3ffz n GLY 531 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffz s GLU 532 N -3.24 0.75 0.01 1.61 0.41 -1.14 -5.04 118.70 112.05 3ffz s GLU 532 Ca 0.03 -0.05 0.25 0.00 -0.41 0.00 0.00 54.97 54.79 3ffz s GLU 532 Cb -0.01 0.14 0.47 0.00 -1.78 0.00 0.00 34.13 32.95 3ffz s GLU 532 CO 0.78 -1.14 1.39 0.09 -0.49 0.00 0.00 175.26 175.88 3ffz n ASN 533 N 4.67 0.52 -4.06 -0.19 5.03 -1.26 -4.68 115.26 115.29 3ffz n ASN 533 Ca 0.09 -0.21 -0.33 0.00 0.87 0.00 0.00 54.58 55.00 3ffz n ASN 533 Cb 0.56 0.26 -0.14 0.00 -1.02 0.00 0.00 39.78 39.45 3ffz n ASN 533 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3ffz s ASN 534 N -3.16 4.93 0.26 6.41 3.84 -1.26 -4.60 114.94 121.36 3ffz s ASN 534 Ca 0.10 -2.06 0.05 0.00 0.21 0.00 0.00 52.86 51.16 3ffz s ASN 534 Cb 0.17 -1.70 -0.06 0.00 -0.55 0.00 0.00 41.25 39.12 3ffz s ASN 534 CO 0.71 -0.42 -0.03 0.68 -2.79 0.00 0.00 177.10 175.24 3ffz s VAL 535 N 1.00 1.38 -0.01 -5.21 -7.23 -1.26 -4.79 120.40 104.29 3ffz s VAL 535 Ca 0.09 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 3ffz s VAL 535 Cb -0.20 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 3ffz s VAL 535 CO -0.06 -0.30 -0.07 0.20 -0.31 0.00 0.00 175.10 174.56 3ffz s ASN 536 N -3.39 0.81 0.69 4.85 0.02 -0.51 -4.95 114.94 112.46 3ffz s ASN 536 Ca 0.29 -0.12 -0.12 0.00 -1.02 0.00 0.00 52.86 51.89 3ffz s ASN 536 Cb 0.05 -0.12 0.01 0.00 0.02 0.00 0.00 41.25 41.21 3ffz s ASN 536 CO 0.11 0.07 1.07 -0.76 0.02 0.00 0.00 177.10 177.61 3ffz s LEU 537 N -0.07 3.20 -0.27 0.60 1.02 -1.26 0.12 118.68 122.01 3ffz s LEU 537 Ca 0.01 1.73 -0.25 0.00 0.02 0.00 0.00 54.13 55.65 3ffz s LEU 537 Cb -0.04 -4.51 0.09 0.00 0.02 0.00 0.00 46.19 41.75 3ffz s LEU 537 CO -0.00 -1.55 0.82 0.28 0.02 0.00 0.00 176.35 175.92 3ffz s THR 538 N -2.85 0.00 -1.85 5.49 -1.32 -0.79 -4.74 115.64 109.59 3ffz s THR 538 Ca 0.60 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.39 3ffz s THR 538 Cb -0.16 -1.00 0.64 0.00 -1.51 0.00 0.00 72.50 70.48 3ffz s THR 538 CO 0.51 0.00 2.01 -1.54 -2.21 0.00 0.00 174.62 173.39 3ffz n SER 539 N 2.50 0.36 -4.70 8.08 3.41 -1.26 -2.36 113.62 119.66 3ffz n SER 539 Ca -0.14 -0.78 -0.37 0.00 -0.26 0.00 0.00 58.87 57.32 3ffz n SER 539 Cb 0.55 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 3ffz n SER 539 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ffz s SER 540 N -2.25 6.40 -0.03 4.04 0.15 -1.26 -4.92 113.70 115.82 3ffz s SER 540 Ca 0.37 0.46 -0.17 0.00 0.70 0.00 0.00 55.95 57.32 3ffz s SER 540 Cb 0.21 -2.19 -0.32 0.00 -1.71 0.00 0.00 66.02 62.00 3ffz s SER 540 CO 0.42 0.03 0.84 -0.29 1.20 0.00 0.00 173.24 175.43 3ffz h ILE 541 N 4.86 1.24 -0.97 6.45 6.09 -1.97 -2.85 117.51 130.35 3ffz h ILE 541 Ca -0.39 -2.57 0.07 0.00 -1.37 0.00 0.00 64.86 60.60 3ffz h ILE 541 Cb 1.16 2.98 -0.06 0.00 0.47 0.00 0.00 36.82 41.37 3ffz h ILE 541 CO 0.73 0.78 0.63 0.44 -3.07 0.00 0.00 178.15 177.66 3ffz h ASP 542 N -0.08 1.00 0.09 2.19 3.32 -1.98 0.39 116.42 121.36 3ffz h ASP 542 Ca -0.25 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.61 3ffz h ASP 542 Cb 1.95 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 41.32 3ffz h ASP 542 CO 0.19 0.64 -0.81 0.71 -1.72 0.00 0.00 179.24 178.25 3ffz h THR 543 N 1.13 1.45 -0.31 0.35 1.35 -1.99 -1.88 112.91 113.02 3ffz h THR 543 Ca 0.42 -2.37 0.05 0.00 -0.55 0.00 0.00 66.41 63.96 3ffz h THR 543 Cb 0.18 2.93 -0.02 0.00 -1.73 0.00 0.00 68.15 69.51 3ffz h THR 543 CO -0.17 0.68 0.21 0.00 -0.25 0.00 0.00 175.52 176.00 3ffz h ALA 544 N 0.19 2.04 0.01 6.62 0.00 -1.20 0.33 119.26 127.25 3ffz h ALA 544 Ca -0.13 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3ffz h ALA 544 Cb 1.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3ffz h ALA 544 CO 0.15 -0.10 -0.89 -0.07 0.00 0.00 0.00 179.25 178.34 3ffz h LEU 545 N 0.20 0.05 0.06 0.00 3.38 -0.18 -3.35 115.31 115.47 3ffz h LEU 545 Ca 0.14 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 3ffz h LEU 545 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3ffz h LEU 545 CO -0.02 0.92 -1.61 -0.07 0.09 0.00 0.00 178.44 177.75 3ffz h LEU 546 N 0.02 0.19 -8.44 1.67 3.38 -0.22 -3.45 115.31 108.46 3ffz h LEU 546 Ca -0.02 -0.33 -0.68 0.00 0.09 0.00 0.00 57.88 56.94 3ffz h LEU 546 Cb 1.56 -0.06 -0.25 0.00 0.09 0.00 0.00 40.66 42.01 3ffz h LEU 546 CO 0.12 1.28 -0.58 -1.61 0.09 0.00 0.00 178.44 177.74 3ffz s GLU 547 N -2.61 3.11 0.19 1.13 2.02 0.99 -5.01 118.70 118.52 3ffz s GLU 547 Ca -0.08 -0.86 -0.20 0.00 0.02 0.00 0.00 54.97 53.85 3ffz s GLU 547 Cb 0.08 -3.51 0.14 0.00 0.10 0.00 0.00 34.13 30.93 3ffz s GLU 547 CO 0.82 -0.49 1.59 1.96 0.02 0.00 0.00 175.26 179.17 3ffz h GLN 548 N 8.31 -0.14 0.00 1.61 4.20 -1.86 -1.68 115.11 125.56 3ffz h GLN 548 Ca -0.30 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3ffz h GLN 548 Cb 1.13 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3ffz h GLN 548 CO 0.62 -0.09 0.00 -1.00 -0.67 0.00 0.00 178.83 177.69 3ffz h PRO 549 N -0.14 0.00 -6.01 1.46 0.13 -1.92 -3.41 132.00 122.10 3ffz h PRO 549 Ca 0.24 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.81 3ffz h PRO 549 Cb 0.54 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.61 3ffz h PRO 549 CO -0.67 0.00 0.24 0.21 -0.23 0.00 0.00 178.00 177.55 3ffz s LYS 550 N -3.54 4.38 -0.14 0.86 2.47 -0.63 -1.43 119.74 121.71 3ffz s LYS 550 Ca 0.01 0.97 0.02 0.00 -1.56 0.00 0.00 55.97 55.40 3ffz s LYS 550 Cb 0.09 -3.51 0.01 0.00 -1.46 0.00 0.00 37.83 32.97 3ffz s LYS 550 CO 0.37 -0.12 -0.19 0.42 0.16 0.00 0.00 175.35 175.99 3ffz s ILE 551 N 1.42 1.83 0.08 5.43 1.01 0.32 -4.56 121.20 126.73 3ffz s ILE 551 Ca 0.39 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.90 3ffz s ILE 551 Cb -0.17 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.56 3ffz s ILE 551 CO 0.16 0.50 1.71 -0.47 0.00 0.00 0.00 174.94 176.85 3ffz s TYR 552 N 1.04 2.29 0.21 3.97 5.04 -0.98 -1.88 117.35 127.04 3ffz s TYR 552 Ca -0.03 0.19 0.11 0.00 -2.44 0.00 0.00 57.07 54.90 3ffz s TYR 552 Cb -0.15 -4.03 -0.05 0.00 0.35 0.00 0.00 41.96 38.09 3ffz s TYR 552 CO -0.05 -4.19 -0.21 -0.08 -1.34 0.00 0.00 175.55 169.67 3ffz s THR 553 N 2.79 2.25 -0.93 4.34 -1.32 -0.99 -4.31 115.64 117.47 3ffz s THR 553 Ca 0.76 -2.11 0.09 0.00 -1.21 0.00 0.00 61.69 59.22 3ffz s THR 553 Cb -0.41 -2.11 0.21 0.00 -1.51 0.00 0.00 72.50 68.67 3ffz s THR 553 CO 0.34 -0.25 1.09 2.22 -2.21 0.00 0.00 174.62 175.81 3ffz n PHE 554 N 0.02 0.28 -2.15 9.09 1.16 -1.26 -4.58 117.46 120.01 3ffz n PHE 554 Ca -0.11 -0.34 -0.27 0.00 -1.87 0.00 0.00 57.45 54.86 3ffz n PHE 554 Cb 0.57 -0.02 0.06 0.00 -1.61 0.00 0.00 39.48 38.48 3ffz n PHE 554 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3ffz s PHE 555 N -0.94 3.09 0.69 2.97 0.08 -1.26 -4.80 117.98 117.81 3ffz s PHE 555 Ca 0.17 0.66 -0.17 0.00 0.12 0.00 0.00 56.93 57.72 3ffz s PHE 555 Cb 0.10 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 3ffz s PHE 555 CO 0.13 -1.25 0.76 -1.13 -0.10 0.00 0.00 175.22 173.63 3ffz n SER 556 N -2.90 -0.24 0.25 1.36 3.41 -1.26 -4.83 113.62 109.41 3ffz n SER 556 Ca 0.07 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3ffz n SER 556 Cb 0.59 -1.31 0.67 0.00 -0.26 0.00 0.00 64.21 63.90 3ffz n SER 556 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ffz h SER 557 N -0.15 0.00 0.17 4.04 4.64 -1.99 -1.82 113.55 118.44 3ffz h SER 557 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3ffz h SER 557 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3ffz h SER 557 CO 0.46 0.12 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.13 3ffz h GLU 558 N 0.00 -0.22 -0.71 4.77 4.39 -1.95 -1.23 114.58 119.64 3ffz h GLU 558 Ca -0.00 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.88 3ffz h GLU 558 Cb 0.26 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3ffz h GLU 558 CO 0.02 0.02 0.49 0.35 -1.16 0.00 0.00 179.01 178.72 3ffz h PHE 559 N -0.43 0.28 -0.00 4.33 3.57 -1.69 -2.10 116.94 120.89 3ffz h PHE 559 Ca -0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3ffz h PHE 559 Cb 0.34 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3ffz h PHE 559 CO -0.00 0.10 -0.01 0.82 -2.23 0.00 0.00 178.31 176.98 3ffz h ILE 560 N 0.23 1.55 0.00 1.41 2.04 -1.08 -3.12 117.51 118.55 3ffz h ILE 560 Ca 0.34 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3ffz h ILE 560 Cb 1.02 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 3ffz h ILE 560 CO -0.07 0.43 0.00 0.59 0.00 0.00 0.00 178.15 179.09 3ffz n ASN 561 N -4.74 1.47 0.00 1.72 5.03 -0.49 -2.62 115.26 115.63 3ffz n ASN 561 Ca -0.09 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.39 3ffz n ASN 561 Cb 0.35 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 3ffz n ASN 561 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ffz n ASN 562 N 0.13 0.20 0.00 6.41 2.85 -0.91 -4.69 115.26 119.25 3ffz n ASN 562 Ca 0.00 -1.01 0.00 0.00 -0.11 0.00 0.00 54.58 53.46 3ffz n ASN 562 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 3ffz n ASN 562 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3ffz n VAL 563 N -0.01 0.00 0.17 3.44 3.14 -1.10 -4.66 118.33 119.31 3ffz n VAL 563 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 3ffz n VAL 563 Cb 0.22 -0.17 0.08 0.00 -1.06 0.00 0.00 33.84 32.92 3ffz n VAL 563 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 3ffz h ASN 564 N 0.00 0.00 -3.75 6.55 2.35 -1.79 -3.47 115.58 115.47 3ffz h ASN 564 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3ffz h ASN 564 Cb 0.37 0.00 0.18 0.00 0.05 0.00 0.00 38.32 38.92 3ffz h ASN 564 CO 0.00 0.16 0.10 2.29 -1.65 0.00 0.00 177.43 178.33 3ffz n LYS 565 N -3.04 0.54 -1.56 0.81 2.85 -1.26 -4.92 118.16 111.57 3ffz n LYS 565 Ca 0.02 0.24 -0.40 0.00 -1.05 0.00 0.00 58.31 57.12 3ffz n LYS 565 Cb 0.61 -2.21 0.03 0.00 -0.65 0.00 0.00 35.03 32.80 3ffz n LYS 565 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3ffz n PRO 566 N -1.77 0.99 -3.34 -1.58 -0.04 -1.26 -5.01 135.00 122.98 3ffz n PRO 566 Ca 0.13 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.58 3ffz n PRO 566 Cb 0.49 -1.94 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 3ffz n PRO 566 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ffz s VAL 567 N -1.44 4.83 -0.11 0.52 -7.23 -1.26 -5.09 120.40 110.62 3ffz s VAL 567 Ca 0.67 0.99 0.01 0.00 -1.81 0.00 0.00 61.98 61.84 3ffz s VAL 567 Cb -0.51 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 32.65 3ffz s VAL 567 CO 0.54 0.43 -0.11 -1.10 -0.31 0.00 0.00 175.10 174.55 3ffz s GLN 568 N -1.47 1.77 0.00 4.82 -1.52 -1.26 -5.08 119.66 116.92 3ffz s GLN 568 Ca 0.32 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.35 3ffz s GLN 568 Cb -0.17 -1.65 0.00 0.00 -0.22 0.00 0.00 33.01 30.96 3ffz s GLN 568 CO 0.18 -0.16 0.13 0.00 -0.25 0.00 0.00 175.29 175.19 3ffz n ALA 569 N 4.54 0.00 0.35 6.09 0.00 -1.26 -0.18 120.51 130.05 3ffz n ALA 569 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 3ffz n ALA 569 Cb 0.51 0.07 0.52 0.00 0.00 0.00 0.00 19.45 20.54 3ffz n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ffz h ALA 570 N -0.35 1.00 -0.12 0.00 0.00 -1.99 -2.91 119.26 114.90 3ffz h ALA 570 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ffz h ALA 570 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ffz h ALA 570 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3ffz n LEU 571 N -2.74 0.88 0.17 0.00 4.32 0.75 -4.31 117.00 116.08 3ffz n LEU 571 Ca 0.02 -0.40 -0.07 0.00 -0.02 0.00 0.00 56.01 55.55 3ffz n LEU 571 Cb 0.33 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.02 3ffz n LEU 571 CO 0.26 0.20 0.34 0.15 -1.22 0.00 0.00 177.39 177.12 3ffz h PHE 572 N 1.09 -0.41 0.00 -1.77 3.57 -1.14 0.81 116.94 119.08 3ffz h PHE 572 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3ffz h PHE 572 Cb 0.24 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3ffz h PHE 572 CO 0.08 -0.26 0.08 -0.39 -2.23 0.00 0.00 178.31 175.59 3ffz h VAL 573 N -0.62 0.00 0.01 1.41 -1.51 -1.83 -2.25 116.25 111.46 3ffz h VAL 573 Ca -0.05 0.00 -0.37 0.00 -1.23 0.00 0.00 66.70 65.05 3ffz h VAL 573 Cb 0.34 0.50 -0.05 0.00 -2.13 0.00 0.00 31.29 29.95 3ffz h VAL 573 CO 0.08 0.00 -2.07 -0.24 -1.23 0.00 0.00 177.57 174.11 3ffz n SER 574 N -2.33 1.95 -0.36 4.19 2.88 -1.21 -4.34 113.62 114.40 3ffz n SER 574 Ca -0.02 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3ffz n SER 574 Cb 0.11 -0.82 0.15 0.00 -0.75 0.00 0.00 64.21 62.91 3ffz n SER 574 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 3ffz h TRP 575 N -0.74 1.20 -0.18 0.66 7.01 -0.45 -0.64 115.95 122.81 3ffz h TRP 575 Ca -0.54 0.03 0.05 0.00 2.11 0.00 0.00 58.89 60.54 3ffz h TRP 575 Cb 1.60 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 3ffz h TRP 575 CO 0.01 0.71 0.17 -0.84 -2.79 0.00 0.00 178.44 175.70 3ffz h ILE 576 N 1.26 0.56 0.00 2.65 3.07 -1.64 -1.38 117.51 122.03 3ffz h ILE 576 Ca 0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.79 3ffz h ILE 576 Cb -0.03 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 3ffz h ILE 576 CO -0.11 0.00 -1.01 0.00 -1.05 0.00 0.00 178.15 175.98 3ffz n GLN 577 N -3.95 0.45 0.09 0.16 6.02 -0.28 -0.87 117.38 119.00 3ffz n GLN 577 Ca 0.01 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3ffz n GLN 577 Cb 0.30 -1.70 0.44 0.00 1.02 0.00 0.00 30.24 30.29 3ffz n GLN 577 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3ffz n GLN 578 N -2.31 0.22 -0.09 -1.09 -0.06 -0.55 -2.29 117.38 111.21 3ffz n GLN 578 Ca 0.01 0.20 -0.10 0.00 -2.00 0.00 0.00 57.00 55.10 3ffz n GLN 578 Cb 0.49 -1.77 -0.12 0.00 -4.06 0.00 0.00 30.24 24.79 3ffz n GLN 578 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 3ffz n VAL 579 N -2.16 1.18 0.44 1.69 0.24 -1.02 -3.14 118.33 115.56 3ffz n VAL 579 Ca 0.06 -0.64 0.08 0.00 -2.04 0.00 0.00 64.34 61.80 3ffz n VAL 579 Cb 0.41 -0.78 0.34 0.00 -1.47 0.00 0.00 33.84 32.33 3ffz n VAL 579 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3ffz n LEU 580 N -2.79 0.16 -0.02 1.34 -0.00 -0.05 -0.40 117.00 115.25 3ffz n LEU 580 Ca -0.31 0.54 0.01 0.00 -0.00 0.00 0.00 56.01 56.26 3ffz n LEU 580 Cb 1.00 -0.52 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 3ffz n LEU 580 CO 0.31 -0.35 -0.67 0.52 -0.00 0.00 0.00 177.39 177.20 3ffz n VAL 581 N -1.68 0.22 0.13 1.96 0.31 -0.97 -4.06 118.33 114.24 3ffz n VAL 581 Ca 0.03 -0.27 0.01 0.00 -0.01 0.00 0.00 64.34 64.10 3ffz n VAL 581 Cb 0.17 -0.11 0.02 0.00 -0.91 0.00 0.00 33.84 33.02 3ffz n VAL 581 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3ffz h ASP 582 N 0.00 0.00 -0.30 4.52 1.82 -1.39 -2.94 116.42 118.13 3ffz h ASP 582 Ca -0.09 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.49 3ffz h ASP 582 Cb 0.84 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.84 3ffz h ASP 582 CO 0.00 0.59 -0.05 0.15 -1.61 0.00 0.00 179.24 178.33 3ffz h PHE 583 N 0.00 0.62 -0.75 0.28 3.57 -0.92 -0.80 116.94 118.94 3ffz h PHE 583 Ca -0.01 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 3ffz h PHE 583 Cb 1.42 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 3ffz h PHE 583 CO 0.00 0.73 0.32 1.15 -2.23 0.00 0.00 178.31 178.29 3ffz h THR 584 N 0.33 1.25 0.00 4.41 2.02 -1.68 -1.58 112.91 117.65 3ffz h THR 584 Ca 0.08 -0.74 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 3ffz h THR 584 Cb 0.52 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3ffz h THR 584 CO 0.02 0.31 -0.64 0.71 0.37 0.00 0.00 175.52 176.29 3ffz h THR 585 N 1.07 1.00 0.09 3.16 1.35 -1.40 -1.54 112.91 116.64 3ffz h THR 585 Ca 0.25 -2.42 -0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3ffz h THR 585 Cb 0.17 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3ffz h THR 585 CO -0.03 0.57 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.44 3ffz h GLU 586 N 0.00 -0.11 0.14 4.72 4.39 -0.90 -3.04 114.58 119.77 3ffz h GLU 586 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ffz h GLU 586 Cb 1.47 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3ffz h GLU 586 CO 0.08 0.24 -0.07 0.00 -1.16 0.00 0.00 179.01 178.10 3ffz h ALA 587 N 0.38 -0.19 0.00 3.43 0.00 -1.38 -3.24 119.26 118.26 3ffz h ALA 587 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ffz h ALA 587 Cb 0.41 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ffz h ALA 587 CO 0.02 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.00 3ffz n ASN 588 N -4.96 0.00 -4.64 0.00 3.02 -0.58 -4.78 115.26 103.32 3ffz n ASN 588 Ca -0.09 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 3ffz n ASN 588 Cb 0.26 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 3ffz n ASN 588 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ffz s GLN 589 N -2.16 3.86 0.44 3.52 -2.07 -1.15 -4.96 119.66 117.15 3ffz s GLN 589 Ca 0.07 2.07 0.04 0.00 -1.82 0.00 0.00 55.36 55.72 3ffz s GLN 589 Cb 0.04 -4.11 -0.04 0.00 -1.09 0.00 0.00 33.01 27.81 3ffz s GLN 589 CO 0.07 -1.24 0.03 -1.59 -1.32 0.00 0.00 175.29 171.24 3ffz s LYS 590 N 4.74 2.02 -0.05 9.60 -2.85 -1.26 -4.33 119.74 127.62 3ffz s LYS 590 Ca 0.81 -2.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.25 3ffz s LYS 590 Cb -0.32 -1.37 0.11 0.00 -2.06 0.00 0.00 37.83 34.18 3ffz s LYS 590 CO 0.33 -0.26 0.95 -1.54 0.10 0.00 0.00 175.35 174.94 3ffz s SER 591 N -3.74 -0.33 0.32 0.03 1.04 -0.64 -4.96 113.70 105.42 3ffz s SER 591 Ca 0.21 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.69 3ffz s SER 591 Cb 0.05 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3ffz s SER 591 CO 0.11 -0.53 0.49 0.42 0.98 0.00 0.00 173.24 174.71 3ffz s THR 592 N -2.86 5.06 -0.13 2.02 -4.23 -1.26 -0.21 115.64 114.02 3ffz s THR 592 Ca 0.05 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 3ffz s THR 592 Cb -0.01 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 70.02 3ffz s THR 592 CO -0.08 -0.46 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.72 3ffz s VAL 593 N -2.22 1.46 -0.02 2.29 1.01 -1.25 -4.81 120.40 116.86 3ffz s VAL 593 Ca 0.39 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3ffz s VAL 593 Cb -0.09 -1.37 -0.13 0.00 0.00 0.00 0.00 36.38 34.79 3ffz s VAL 593 CO 0.34 0.44 0.17 0.47 0.00 0.00 0.00 175.10 176.51 3ffz n ASP 594 N 4.58 3.06 0.12 3.32 9.92 -1.26 -4.28 116.55 132.01 3ffz n ASP 594 Ca -0.17 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.20 3ffz n ASP 594 Cb 0.50 1.30 0.47 0.00 -0.64 0.00 0.00 41.12 42.75 3ffz n ASP 594 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3ffz n LYS 595 N -1.86 0.15 -4.09 -1.24 4.01 -1.26 -4.32 118.16 109.56 3ffz n LYS 595 Ca -0.03 0.45 -0.33 0.00 -0.51 0.00 0.00 58.31 57.89 3ffz n LYS 595 Cb 0.29 -1.83 -0.16 0.00 -0.51 0.00 0.00 35.03 32.82 3ffz n LYS 595 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3ffz s ILE 596 N -3.32 2.26 0.02 -0.18 1.01 -1.26 -5.03 121.20 114.71 3ffz s ILE 596 Ca 0.03 -0.88 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 3ffz s ILE 596 Cb 0.08 -1.97 -0.17 0.00 0.01 0.00 0.00 42.46 40.41 3ffz s ILE 596 CO 0.32 0.51 1.32 0.00 0.00 0.00 0.00 174.94 177.09 3ffz h ALA 597 N 7.96 -0.41 -0.12 9.38 0.00 -1.86 -3.28 119.26 130.94 3ffz h ALA 597 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ffz h ALA 597 Cb 1.14 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ffz h ALA 597 CO 0.63 -0.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 3ffz n ASP 598 N -5.15 0.95 -3.98 0.00 5.68 -1.26 -4.61 116.55 108.18 3ffz n ASP 598 Ca -0.10 -2.04 -0.31 0.00 -0.50 0.00 0.00 54.79 51.84 3ffz n ASP 598 Cb 0.25 -0.20 -0.15 0.00 -1.14 0.00 0.00 41.12 39.88 3ffz n ASP 598 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3ffz s ILE 599 N -1.69 1.82 -2.58 2.12 1.01 -1.24 -4.78 121.20 115.86 3ffz s ILE 599 Ca 0.08 -1.59 0.26 0.00 0.00 0.00 0.00 60.65 59.41 3ffz s ILE 599 Cb 0.05 -2.11 0.46 0.00 0.01 0.00 0.00 42.46 40.87 3ffz s ILE 599 CO 0.05 -0.23 1.61 -1.54 0.00 0.00 0.00 174.94 174.83 3ffz n SER 600 N 4.53 1.91 -3.63 3.58 3.41 -1.26 -3.93 113.62 118.22 3ffz n SER 600 Ca -0.09 -1.65 -0.12 0.00 -0.26 0.00 0.00 58.87 56.76 3ffz n SER 600 Cb 0.43 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 3ffz n SER 600 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3ffz s ILE 601 N -1.96 0.00 0.06 -1.33 2.07 -1.26 -4.32 121.20 114.47 3ffz s ILE 601 Ca 0.35 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.63 3ffz s ILE 601 Cb 0.20 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 3ffz s ILE 601 CO 0.32 0.00 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.54 3ffz s VAL 602 N 0.35 0.86 -0.40 4.00 1.01 0.70 -4.49 120.40 122.43 3ffz s VAL 602 Ca 0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 3ffz s VAL 602 Cb -0.05 -0.87 0.11 0.00 0.00 0.00 0.00 36.38 35.57 3ffz s VAL 602 CO -0.02 -0.30 0.19 -0.69 0.00 0.00 0.00 175.10 174.28 3ffz s VAL 603 N -1.33 3.21 0.41 2.92 1.01 -1.26 -1.63 120.40 123.73 3ffz s VAL 603 Ca -0.05 -2.07 0.23 0.00 0.00 0.00 0.00 61.98 60.09 3ffz s VAL 603 Cb -0.10 -3.21 0.43 0.00 0.00 0.00 0.00 36.38 33.50 3ffz s VAL 603 CO 0.01 -0.68 1.68 1.55 0.00 0.00 0.00 175.10 177.66 3ffz h PRO 604 N 8.02 0.22 -0.00 2.72 0.13 -1.93 -2.69 132.00 138.46 3ffz h PRO 604 Ca -0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3ffz h PRO 604 Cb 1.05 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ffz h PRO 604 CO 0.68 0.14 -0.00 2.48 -0.23 0.00 0.00 178.00 181.07 3ffz n TYR 605 N -4.74 0.00 0.03 1.56 0.18 -1.26 -3.91 117.16 109.03 3ffz n TYR 605 Ca 0.32 0.00 0.02 0.00 1.88 0.00 0.00 57.90 60.12 3ffz n TYR 605 Cb 1.17 -0.05 0.37 0.00 -0.38 0.00 0.00 39.34 40.45 3ffz n TYR 605 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 3ffz h ILE 606 N 0.17 1.15 -0.53 -3.48 2.04 -1.86 0.13 117.51 115.13 3ffz h ILE 606 Ca 0.00 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 3ffz h ILE 606 Cb 0.09 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3ffz h ILE 606 CO 0.00 0.20 -0.01 1.23 0.00 0.00 0.00 178.15 179.57 3ffz h GLY 607 N 0.69 0.98 1.19 5.37 0.00 -1.83 -1.22 103.07 108.25 3ffz h GLY 607 Ca 0.11 -0.69 -0.23 0.00 0.00 0.00 0.00 47.33 46.52 3ffz h GLY 607 CO -0.00 0.64 -0.82 1.41 0.00 0.00 0.00 176.54 177.76 3ffz h LEU 608 N 0.84 0.94 -0.65 3.11 3.38 -1.61 -0.97 115.31 120.34 3ffz h LEU 608 Ca 0.15 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ffz h LEU 608 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ffz h LEU 608 CO 0.03 1.44 0.39 0.00 0.09 0.00 0.00 178.44 180.39 3ffz h ALA 609 N 0.54 0.83 -0.13 1.53 0.00 -0.54 -3.32 119.26 118.17 3ffz h ALA 609 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ffz h ALA 609 Cb 1.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ffz h ALA 609 CO 0.17 0.31 0.00 1.28 0.00 0.00 0.00 179.25 181.01 3ffz n LEU 610 N -4.58 2.61 -3.45 0.00 4.77 -0.48 -4.70 117.00 111.17 3ffz n LEU 610 Ca 0.05 -2.41 -0.18 0.00 -0.03 0.00 0.00 56.01 53.45 3ffz n LEU 610 Cb 0.06 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3ffz n LEU 610 CO 0.37 0.63 0.07 -3.20 -1.33 0.00 0.00 177.39 173.93 3ffz n ASN 611 N -0.46 -2.59 -4.38 -1.43 5.15 -0.46 -4.28 115.26 106.81 3ffz n ASN 611 Ca 0.10 -0.67 -0.37 0.00 -0.60 0.00 0.00 54.58 53.04 3ffz n ASN 611 Cb 0.48 -4.96 -0.13 0.00 -0.53 0.00 0.00 39.78 34.64 3ffz n ASN 611 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ffz s ILE 612 N -3.41 4.02 0.00 -1.44 1.01 -0.66 -4.81 121.20 115.91 3ffz s ILE 612 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3ffz s ILE 612 Cb -0.01 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3ffz s ILE 612 CO 0.75 0.21 0.00 0.61 0.00 0.00 0.00 174.94 176.50 3ffz n GLY 613 N 4.88 0.79 3.92 6.18 0.00 -1.26 -4.49 105.19 115.21 3ffz n GLY 613 Ca -0.16 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 3ffz n GLY 613 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffz s ASN 614 N -1.13 2.89 0.15 1.61 2.20 -1.26 -4.56 114.94 114.84 3ffz s ASN 614 Ca 0.00 0.23 -0.19 0.00 -0.94 0.00 0.00 52.86 51.96 3ffz s ASN 614 Cb 0.00 -0.24 0.04 0.00 -2.00 0.00 0.00 41.25 39.05 3ffz s ASN 614 CO 0.00 -2.87 1.67 -0.33 -2.94 0.00 0.00 177.10 172.63 3ffz h GLU 615 N -1.74 -0.05 -0.58 3.55 3.07 -1.98 1.16 114.58 118.01 3ffz h GLU 615 Ca -0.44 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.52 3ffz h GLU 615 Cb 1.23 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 29.07 3ffz h GLU 615 CO 0.35 -0.03 0.15 0.00 -1.40 0.00 0.00 179.01 178.07 3ffz h ALA 616 N 1.21 0.70 -0.15 3.43 0.00 -2.00 -1.59 119.26 120.85 3ffz h ALA 616 Ca 0.15 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 3ffz h ALA 616 Cb 0.27 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ffz h ALA 616 CO -0.33 -0.28 -0.57 1.96 0.00 0.00 0.00 179.25 180.03 3ffz h GLN 617 N 0.29 0.49 -0.49 0.00 4.20 -1.45 -3.20 115.11 114.94 3ffz h GLN 617 Ca 0.30 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3ffz h GLN 617 Cb 0.42 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3ffz h GLN 617 CO -0.36 0.93 0.23 0.87 -0.67 0.00 0.00 178.83 179.82 3ffz h LYS 618 N 0.37 0.68 -0.00 1.46 1.57 0.23 -2.23 116.57 118.65 3ffz h LYS 618 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3ffz h LYS 618 Cb 1.11 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3ffz h LYS 618 CO 0.10 0.53 -0.47 0.41 -0.57 0.00 0.00 179.45 179.46 3ffz n GLY 619 N -1.22 -1.14 2.33 3.86 0.00 -0.98 -4.13 105.19 103.91 3ffz n GLY 619 Ca 0.04 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3ffz n GLY 619 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ffz n ASN 620 N -1.36 1.51 -0.06 1.61 4.05 -1.07 -4.98 115.26 114.95 3ffz n ASN 620 Ca 0.07 -3.13 -0.11 0.00 0.45 0.00 0.00 54.58 51.86 3ffz n ASN 620 Cb 0.34 -0.61 -0.05 0.00 1.23 0.00 0.00 39.78 40.69 3ffz n ASN 620 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 3ffz h PHE 621 N 3.04 0.35 -0.93 1.20 3.04 -1.56 -2.54 116.94 119.55 3ffz h PHE 621 Ca 0.11 -0.05 0.11 0.00 3.98 0.00 0.00 57.97 62.12 3ffz h PHE 621 Cb 0.88 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 39.22 3ffz h PHE 621 CO 0.53 0.46 0.59 -0.22 -2.02 0.00 0.00 178.31 177.65 3ffz h LYS 622 N 0.15 0.85 -0.42 1.11 3.64 -1.88 0.15 116.57 120.16 3ffz h LYS 622 Ca 0.06 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3ffz h LYS 622 Cb 0.29 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3ffz h LYS 622 CO 0.00 0.56 -0.26 0.22 -2.27 0.00 0.00 179.45 177.70 3ffz h ASP 623 N 0.87 0.97 -0.64 4.20 1.82 -1.92 -2.29 116.42 119.43 3ffz h ASP 623 Ca 0.45 -0.42 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 3ffz h ASP 623 Cb 0.51 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 3ffz h ASP 623 CO -0.21 1.18 0.09 0.00 -1.61 0.00 0.00 179.24 178.68 3ffz h ALA 624 N 0.82 0.92 0.33 -0.78 0.00 -0.79 -3.04 119.26 116.72 3ffz h ALA 624 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ffz h ALA 624 Cb 0.84 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ffz h ALA 624 CO 0.07 0.66 -0.16 1.25 0.00 0.00 0.00 179.25 181.08 3ffz h LEU 625 N 1.01 -0.38 -1.78 0.00 5.85 -0.62 -1.52 115.31 117.86 3ffz h LEU 625 Ca 0.20 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3ffz h LEU 625 Cb 0.46 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3ffz h LEU 625 CO 0.02 -0.24 0.04 -1.84 -0.34 0.00 0.00 178.44 176.08 3ffz n GLU 626 N -5.27 1.38 0.00 1.25 0.28 -0.87 0.42 120.64 117.83 3ffz n GLU 626 Ca -0.10 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 3ffz n GLU 626 Cb 0.21 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.67 3ffz n GLU 626 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3ffz n LEU 627 N 0.17 1.59 -0.00 -1.84 -0.00 -1.07 -4.78 117.00 111.08 3ffz n LEU 627 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.13 3ffz n LEU 627 Cb 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 3ffz n LEU 627 CO 0.06 0.26 -0.14 0.18 -0.00 0.00 0.00 177.39 177.76 3ffz n LEU 628 N -2.10 0.49 0.00 -1.96 4.77 -0.60 -5.11 117.00 112.50 3ffz n LEU 628 Ca 0.00 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3ffz n LEU 628 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3ffz n LEU 628 CO 0.00 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 3ffz n GLY 629 N 1.38 -1.30 0.33 -0.72 0.00 0.17 -4.21 105.19 100.83 3ffz n GLY 629 Ca 0.02 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 44.66 3ffz n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffz h ALA 630 N 0.00 1.44 0.00 4.61 0.00 -1.88 -1.90 119.26 121.53 3ffz h ALA 630 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ffz h ALA 630 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ffz h ALA 630 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3ffz n GLY 631 N -1.27 -0.52 0.24 0.00 0.00 -1.26 -1.18 105.19 101.20 3ffz n GLY 631 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3ffz n GLY 631 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ffz h ILE 632 N 0.00 0.34 0.00 -0.61 2.10 -1.55 -2.74 117.51 115.05 3ffz h ILE 632 Ca 0.00 -0.97 -0.15 0.00 1.08 0.00 0.00 64.86 64.82 3ffz h ILE 632 Cb 0.03 1.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.49 3ffz h ILE 632 CO 0.00 0.14 -0.70 -0.07 -1.08 0.00 0.00 178.15 176.44 3ffz h LEU 633 N 0.00 0.00 -9.98 2.19 4.07 -1.38 -3.44 115.31 106.77 3ffz h LEU 633 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3ffz h LEU 633 Cb 0.73 0.00 0.09 0.00 1.08 0.00 0.00 40.66 42.56 3ffz h LEU 633 CO 0.02 0.70 0.58 -0.76 -1.08 0.00 0.00 178.44 177.90 3ffz s LEU 634 N -6.96 4.10 0.02 1.67 1.43 -1.03 -4.94 118.68 112.96 3ffz s LEU 634 Ca 0.01 2.59 0.22 0.00 -1.03 0.00 0.00 54.13 55.92 3ffz s LEU 634 Cb 0.10 -4.05 -0.21 0.00 0.03 0.00 0.00 46.19 42.06 3ffz s LEU 634 CO 0.77 -1.01 0.72 1.21 0.23 0.00 0.00 176.35 178.27 3ffz n GLU 635 N -0.24 0.50 0.03 1.70 4.07 -1.26 -4.83 120.64 120.60 3ffz n GLU 635 Ca 0.06 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3ffz n GLU 635 Cb 0.45 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 3ffz n GLU 635 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3ffz n PHE 636 N -2.16 -0.18 -2.84 4.31 3.72 -1.26 -5.09 117.46 113.96 3ffz n PHE 636 Ca -0.01 0.03 -0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3ffz n PHE 636 Cb 0.51 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 3ffz n PHE 636 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ffz n GLU 637 N -2.94 -1.25 -2.48 -1.08 2.13 -1.26 -4.98 120.64 108.78 3ffz n GLU 637 Ca 0.00 1.43 -0.35 0.00 0.66 0.00 0.00 57.16 58.90 3ffz n GLU 637 Cb 0.00 -5.21 -0.03 0.00 0.27 0.00 0.00 31.44 26.47 3ffz n GLU 637 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3ffz s PRO 638 N -2.93 3.78 -0.59 5.31 0.02 -1.26 -4.95 135.00 134.38 3ffz s PRO 638 Ca 0.02 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.23 3ffz s PRO 638 Cb -0.01 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3ffz s PRO 638 CO 0.66 -0.46 1.36 -1.83 -0.33 0.00 0.00 177.00 176.39 3ffz s GLU 639 N -3.08 3.32 -0.62 5.54 1.03 -1.26 -4.94 118.70 118.69 3ffz s GLU 639 Ca 0.66 0.33 -0.24 0.00 0.03 0.00 0.00 54.97 55.75 3ffz s GLU 639 Cb -0.19 -4.11 0.05 0.00 -0.80 0.00 0.00 34.13 29.07 3ffz s GLU 639 CO 0.23 -1.93 1.00 -0.51 -1.33 0.00 0.00 175.26 172.72 3ffz s LEU 640 N 5.86 4.10 -0.11 1.83 1.43 -1.26 -5.01 118.68 125.52 3ffz s LEU 640 Ca 0.48 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3ffz s LEU 640 Cb -0.10 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3ffz s LEU 640 CO 0.24 -1.41 -0.12 -0.22 0.23 0.00 0.00 176.35 175.07 3ffz s LEU 641 N 4.24 2.80 -0.17 1.79 2.96 -1.26 -5.11 118.68 123.93 3ffz s LEU 641 Ca 0.27 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3ffz s LEU 641 Cb -0.14 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3ffz s LEU 641 CO 0.15 0.23 0.02 -0.63 -1.32 0.00 0.00 176.35 174.80 3ffz s ILE 642 N -0.01 4.44 0.99 6.68 1.01 -1.26 -5.11 121.20 127.94 3ffz s ILE 642 Ca -0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 3ffz s ILE 642 Cb -0.14 -2.97 0.19 0.00 0.01 0.00 0.00 42.46 39.54 3ffz s ILE 642 CO 0.04 0.48 1.09 -2.16 0.00 0.00 0.00 174.94 174.39 3ffz s PRO 643 N 0.29 0.47 0.10 2.79 0.04 -1.26 -4.94 135.00 132.49 3ffz s PRO 643 Ca 0.01 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3ffz s PRO 643 Cb -0.13 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3ffz s PRO 643 CO 0.01 -2.71 1.45 0.99 0.04 0.00 0.00 177.00 176.78 3ffz s THR 644 N -2.97 3.23 -0.32 1.26 2.01 -1.26 -4.92 115.64 112.67 3ffz s THR 644 Ca 0.65 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 3ffz s THR 644 Cb -0.18 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3ffz s THR 644 CO 0.57 0.05 1.07 -0.63 -0.69 0.00 0.00 174.62 175.00 3ffz s ILE 645 N 1.50 4.51 0.49 1.82 1.01 -1.26 -4.89 121.20 124.37 3ffz s ILE 645 Ca 0.66 1.73 -0.23 0.00 0.00 0.00 0.00 60.65 62.82 3ffz s ILE 645 Cb -0.37 -4.42 -0.06 0.00 0.01 0.00 0.00 42.46 37.61 3ffz s ILE 645 CO 0.30 -0.49 1.27 -0.76 0.00 0.00 0.00 174.94 175.26 3ffz s LEU 646 N 3.66 3.97 0.16 2.97 1.43 -1.26 -4.91 118.68 124.69 3ffz s LEU 646 Ca 0.45 2.55 0.04 0.00 -1.03 0.00 0.00 54.13 56.14 3ffz s LEU 646 Cb -0.12 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3ffz s LEU 646 CO 0.15 -1.19 0.23 0.68 0.23 0.00 0.00 176.35 176.46 3ffz s VAL 647 N -1.41 4.99 1.05 -1.59 -7.23 -1.26 -4.89 120.40 110.07 3ffz s VAL 647 Ca 0.66 -0.85 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 3ffz s VAL 647 Cb -0.35 -3.57 0.22 0.00 0.56 0.00 0.00 36.38 33.24 3ffz s VAL 647 CO 0.42 -0.11 1.07 0.72 -0.31 0.00 0.00 175.10 176.89 3ffz s PHE 648 N -1.76 1.78 0.37 2.82 -0.71 -1.26 -4.80 117.98 114.43 3ffz s PHE 648 Ca 0.33 1.17 0.08 0.00 -1.04 0.00 0.00 56.93 57.47 3ffz s PHE 648 Cb -0.11 -3.18 -0.06 0.00 -1.21 0.00 0.00 43.02 38.46 3ffz s PHE 648 CO 0.26 -3.23 0.05 0.95 -1.34 0.00 0.00 175.22 171.91 3ffz s THR 649 N -2.73 2.43 -0.02 -4.49 -4.23 -1.02 -5.01 115.64 100.57 3ffz s THR 649 Ca 0.66 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3ffz s THR 649 Cb -0.21 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3ffz s THR 649 CO 0.60 -0.12 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.92 3ffz s ILE 650 N -2.57 0.28 0.86 2.99 1.01 -1.26 -2.72 121.20 119.79 3ffz s ILE 650 Ca 0.36 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 3ffz s ILE 650 Cb 0.03 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.24 3ffz s ILE 650 CO 0.20 0.14 0.82 1.17 0.00 0.00 0.00 174.94 177.27 3ffz n LYS 651 N 3.74 -0.08 -0.00 2.79 4.81 -1.25 -4.96 118.16 123.21 3ffz n LYS 651 Ca -0.22 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.32 3ffz n LYS 651 Cb 0.53 -2.13 -0.09 0.00 0.02 0.00 0.00 35.03 33.35 3ffz n LYS 651 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3ffz n SER 652 N -2.33 1.71 -2.24 3.14 7.64 -1.26 -5.03 113.62 115.24 3ffz n SER 652 Ca 0.10 -0.21 -0.00 0.00 1.01 0.00 0.00 58.87 59.77 3ffz n SER 652 Cb 0.52 1.43 0.00 0.00 -1.01 0.00 0.00 64.21 65.14 3ffz n SER 652 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ffz n PHE 653 N -1.77 -2.39 -3.45 1.43 3.01 -1.26 -5.01 117.46 108.02 3ffz n PHE 653 Ca -0.01 1.05 -0.38 0.00 1.01 0.00 0.00 57.45 59.12 3ffz n PHE 653 Cb 0.29 -3.03 -0.06 0.00 -0.01 0.00 0.00 39.48 36.68 3ffz n PHE 653 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ffz s LEU 654 N -1.08 4.37 0.00 4.37 1.43 -1.26 -4.34 118.68 122.17 3ffz s LEU 654 Ca 0.01 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3ffz s LEU 654 Cb -0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3ffz s LEU 654 CO 0.47 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.85 3ffz n GLY 655 N 2.55 0.97 1.42 -3.19 0.00 -1.26 -5.08 105.19 100.60 3ffz n GLY 655 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3ffz n GLY 655 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ffz n SER 656 N 0.00 0.34 0.14 1.61 3.41 -1.26 -4.80 113.62 113.06 3ffz n SER 656 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3ffz n SER 656 Cb 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3ffz n SER 656 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ffz n SER 657 N 1.28 -1.63 0.00 4.04 7.64 -1.26 -5.12 113.62 118.57 3ffz n SER 657 Ca 0.11 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3ffz n SER 657 Cb -0.01 1.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.86 3ffz n SER 657 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3ffz n ASP 658 N -3.21 0.00 -2.21 6.43 8.00 -1.26 -5.02 116.55 119.29 3ffz n ASP 658 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 3ffz n ASP 658 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3ffz n ASP 658 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ffz n ASN 659 N -0.04 -2.11 0.27 -2.24 3.02 -1.26 -4.71 115.26 108.19 3ffz n ASN 659 Ca 0.00 0.32 0.18 0.00 -0.03 0.00 0.00 54.58 55.05 3ffz n ASN 659 Cb 0.00 -1.95 0.94 0.00 -0.61 0.00 0.00 39.78 38.17 3ffz n ASN 659 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ffz h LYS 660 N 0.00 0.00 0.00 3.52 3.11 -1.95 0.17 116.57 121.41 3ffz h LYS 660 Ca -0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 3ffz h LYS 660 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 3ffz h LYS 660 CO 0.15 0.00 0.00 -0.97 -2.81 0.00 0.00 179.45 175.82 3ffz h ASN 661 N 0.00 0.00 0.03 4.20 -0.00 -1.93 -3.10 115.58 114.78 3ffz h ASN 661 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.24 3ffz h ASN 661 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.39 3ffz h ASN 661 CO 0.00 0.00 -0.26 0.11 -0.00 0.00 0.00 177.43 177.28 3ffz h LYS 662 N 0.00 0.13 -0.69 6.67 1.57 -1.02 -3.11 116.57 120.12 3ffz h LYS 662 Ca 0.00 -0.18 0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3ffz h LYS 662 Cb 0.35 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3ffz h LYS 662 CO 0.00 1.01 0.46 -0.39 -0.57 0.00 0.00 179.45 179.96 3ffz h VAL 663 N -0.67 0.86 -0.33 0.50 -1.51 -1.67 0.64 116.25 114.06 3ffz h VAL 663 Ca -0.04 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 3ffz h VAL 663 Cb 1.13 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3ffz h VAL 663 CO 0.05 0.08 0.12 0.40 -1.23 0.00 0.00 177.57 176.99 3ffz h ILE 664 N 0.45 1.19 -0.16 7.19 1.08 -1.63 -1.31 117.51 124.32 3ffz h ILE 664 Ca 0.33 -0.61 -0.11 0.00 -0.39 0.00 0.00 64.86 64.08 3ffz h ILE 664 Cb 0.67 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 3ffz h ILE 664 CO -0.10 0.21 0.14 1.17 -0.69 0.00 0.00 178.15 178.87 3ffz n LYS 665 N -4.69 1.26 0.00 2.37 4.81 0.20 -2.67 118.16 119.44 3ffz n LYS 665 Ca -0.02 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.90 3ffz n LYS 665 Cb 0.15 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.99 3ffz n LYS 665 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ffz n ALA 666 N 0.90 2.22 0.31 3.14 0.00 -0.93 -4.58 120.51 121.57 3ffz n ALA 666 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.70 3ffz n ALA 666 Cb 0.57 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.72 3ffz n ALA 666 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3ffz h ILE 667 N 0.00 0.00 0.05 0.00 2.04 -1.03 0.28 117.51 118.86 3ffz h ILE 667 Ca 0.00 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.35 3ffz h ILE 667 Cb 0.00 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3ffz h ILE 667 CO 0.00 0.00 -1.10 0.78 0.00 0.00 0.00 178.15 177.83 3ffz h ASN 668 N 0.00 0.16 0.49 1.72 2.35 -1.78 -3.16 115.58 115.37 3ffz h ASN 668 Ca 0.00 -0.75 -0.05 0.00 -0.55 0.00 0.00 56.30 54.94 3ffz h ASN 668 Cb 0.34 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3ffz h ASN 668 CO 0.00 1.46 -0.26 0.78 -1.65 0.00 0.00 177.43 177.76 3ffz h ASN 669 N -0.69 0.00 -0.49 5.81 2.35 -1.71 -1.57 115.58 119.28 3ffz h ASN 669 Ca -0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.39 3ffz h ASN 669 Cb 1.45 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 3ffz h ASN 669 CO -0.05 0.26 -0.06 0.00 -1.65 0.00 0.00 177.43 175.92 3ffz h ALA 670 N 1.74 0.67 0.00 -0.83 0.00 -0.57 -0.14 119.26 120.14 3ffz h ALA 670 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3ffz h ALA 670 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ffz h ALA 670 CO 0.03 0.53 -0.32 -0.07 0.00 0.00 0.00 179.25 179.42 3ffz h LEU 671 N 0.76 0.00 -0.10 0.00 3.38 -1.36 -2.31 115.31 115.67 3ffz h LEU 671 Ca 0.13 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3ffz h LEU 671 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ffz h LEU 671 CO 0.04 0.32 -0.66 0.50 0.09 0.00 0.00 178.44 178.73 3ffz h LYS 672 N 0.00 0.63 -0.17 1.13 1.63 -0.87 -2.83 116.57 116.10 3ffz h LYS 672 Ca -0.00 -0.54 0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3ffz h LYS 672 Cb 0.78 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 3ffz h LYS 672 CO 0.04 1.16 0.12 1.49 -3.45 0.00 0.00 179.45 178.81 3ffz h GLU 673 N 0.28 0.14 -0.37 1.90 4.57 -0.72 0.71 114.58 121.09 3ffz h GLU 673 Ca -0.05 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 3ffz h GLU 673 Cb 1.31 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3ffz h GLU 673 CO 0.14 0.09 -0.30 -0.09 -1.18 0.00 0.00 179.01 177.67 3ffz h ARG 674 N 0.14 0.87 -0.28 1.92 1.12 -1.27 0.22 114.38 117.10 3ffz h ARG 674 Ca 0.07 -0.43 -0.14 0.00 -1.11 0.00 0.00 59.98 58.37 3ffz h ARG 674 Cb 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 3ffz h ARG 674 CO -0.01 1.07 -0.41 -0.44 -3.11 0.00 0.00 179.97 177.08 3ffz h ASP 675 N 0.67 0.71 0.37 -3.80 5.19 -1.03 -2.01 116.42 116.52 3ffz h ASP 675 Ca 0.07 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.10 3ffz h ASP 675 Cb 0.88 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 3ffz h ASP 675 CO 0.08 1.03 -0.29 -0.08 -3.12 0.00 0.00 179.24 176.86 3ffz h GLU 676 N 0.55 0.00 -0.07 3.56 4.22 -0.58 -1.20 114.58 121.05 3ffz h GLU 676 Ca 0.04 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.38 3ffz h GLU 676 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3ffz h GLU 676 CO 0.08 0.29 -0.45 -0.22 -2.18 0.00 0.00 179.01 176.53 3ffz h LYS 677 N 0.00 0.17 -0.29 1.92 1.63 0.13 -1.93 116.57 118.21 3ffz h LYS 677 Ca -0.00 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.62 3ffz h LYS 677 Cb 0.55 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 3ffz h LYS 677 CO 0.04 0.59 -0.19 -1.49 -3.45 0.00 0.00 179.45 174.95 3ffz h TRP 678 N 0.14 0.58 -0.34 1.91 4.06 -0.67 -2.59 115.95 119.05 3ffz h TRP 678 Ca 0.01 -0.11 -0.05 0.00 2.06 0.00 0.00 58.89 60.80 3ffz h TRP 678 Cb 0.85 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 3ffz h TRP 678 CO 0.01 0.69 0.02 0.87 -3.56 0.00 0.00 178.44 176.47 3ffz h LYS 679 N 0.48 0.58 -0.40 0.49 1.57 -0.73 -0.51 116.57 118.05 3ffz h LYS 679 Ca 0.08 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3ffz h LYS 679 Cb 0.60 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3ffz h LYS 679 CO 0.04 0.69 0.26 0.93 -0.57 0.00 0.00 179.45 180.80 3ffz h GLU 680 N 0.40 0.52 -0.01 3.15 5.08 -1.23 0.32 114.58 122.80 3ffz h GLU 680 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ffz h GLU 680 Cb 0.41 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ffz h GLU 680 CO 0.01 0.35 0.00 0.28 -1.00 0.00 0.00 179.01 178.65 3ffz h VAL 681 N 0.54 1.18 -0.49 3.13 2.07 -1.40 -0.50 116.25 120.77 3ffz h VAL 681 Ca 0.15 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.24 3ffz h VAL 681 Cb -0.06 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3ffz h VAL 681 CO -0.03 0.14 -0.02 1.88 0.02 0.00 0.00 177.57 179.55 3ffz h TYR 682 N -0.19 -0.08 -0.09 1.57 0.05 -0.85 0.24 116.97 117.62 3ffz h TYR 682 Ca 0.00 0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.72 3ffz h TYR 682 Cb 0.22 0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3ffz h TYR 682 CO -0.00 -0.13 -0.42 0.66 -1.05 0.00 0.00 178.16 177.22 3ffz h SER 683 N 0.09 0.21 -0.57 3.88 4.64 -0.79 -0.13 113.55 120.88 3ffz h SER 683 Ca 0.25 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 3ffz h SER 683 Cb 0.38 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3ffz h SER 683 CO -0.43 0.61 0.18 0.15 -0.87 0.00 0.00 176.83 176.47 3ffz h PHE 684 N 0.17 0.91 -0.26 4.77 3.57 0.09 0.66 116.94 126.84 3ffz h PHE 684 Ca 0.01 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3ffz h PHE 684 Cb 0.81 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3ffz h PHE 684 CO 0.01 0.76 0.01 0.82 -2.23 0.00 0.00 178.31 177.69 3ffz h ILE 685 N 0.79 1.25 -0.33 1.41 1.08 -0.54 -1.97 117.51 119.20 3ffz h ILE 685 Ca 0.18 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3ffz h ILE 685 Cb 0.27 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 3ffz h ILE 685 CO -0.01 0.28 0.07 0.58 -0.69 0.00 0.00 178.15 178.38 3ffz h VAL 686 N 0.24 1.16 -0.10 1.67 2.07 -0.80 -1.25 116.25 119.24 3ffz h VAL 686 Ca 0.08 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 3ffz h VAL 686 Cb 0.39 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3ffz h VAL 686 CO 0.01 0.21 -0.29 -1.28 0.02 0.00 0.00 177.57 176.24 3ffz h SER 687 N 0.48 0.43 -0.91 0.57 0.87 -0.69 -0.93 113.55 113.37 3ffz h SER 687 Ca 0.11 -0.60 0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3ffz h SER 687 Cb 0.21 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 3ffz h SER 687 CO -0.00 0.96 0.59 0.78 -0.53 0.00 0.00 176.83 178.62 3ffz h ASN 688 N -0.07 0.96 -0.52 6.23 2.35 -1.20 -0.84 115.58 122.50 3ffz h ASN 688 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ffz h ASN 688 Cb 0.91 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3ffz h ASN 688 CO 0.06 0.64 0.33 -0.25 -1.65 0.00 0.00 177.43 176.56 3ffz h TRP 689 N 1.11 0.66 -0.53 1.19 7.01 -1.15 0.44 115.95 124.68 3ffz h TRP 689 Ca 0.38 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.30 3ffz h TRP 689 Cb 0.07 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 3ffz h TRP 689 CO -0.02 0.44 -0.01 0.52 -2.79 0.00 0.00 178.44 176.58 3ffz h MET 690 N 0.70 0.90 0.00 2.65 2.86 -0.10 0.39 114.93 122.33 3ffz h MET 690 Ca 0.19 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3ffz h MET 690 Cb -0.05 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3ffz h MET 690 CO -0.04 0.90 -0.75 0.25 1.06 0.00 0.00 176.91 178.33 3ffz n THR 691 N -4.19 0.09 0.00 2.22 -2.24 -0.42 -4.03 114.28 105.70 3ffz n THR 691 Ca 0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3ffz n THR 691 Cb 0.33 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3ffz n THR 691 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ffz n LYS 692 N -1.70 2.52 -0.04 -0.78 5.02 0.14 -1.87 118.16 121.46 3ffz n LYS 692 Ca 0.04 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 3ffz n LYS 692 Cb 0.37 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 3ffz n LYS 692 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3ffz n ILE 693 N -0.94 0.44 0.21 -0.18 2.08 0.10 -4.52 119.36 116.55 3ffz n ILE 693 Ca 0.00 -0.09 0.07 0.00 0.56 0.00 0.00 62.75 63.29 3ffz n ILE 693 Cb 0.05 -1.61 0.60 0.00 -0.75 0.00 0.00 39.64 37.93 3ffz n ILE 693 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3ffz h ASN 694 N -0.27 0.08 -0.55 4.38 -1.24 -0.73 -1.83 115.58 115.42 3ffz h ASN 694 Ca -0.19 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 3ffz h ASN 694 Cb 1.14 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 3ffz h ASN 694 CO -0.11 0.06 0.30 0.71 -1.29 0.00 0.00 177.43 177.10 3ffz h THR 695 N 0.09 1.18 -0.66 -3.57 1.35 -1.78 -1.31 112.91 108.22 3ffz h THR 695 Ca 0.03 -0.47 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 3ffz h THR 695 Cb -0.00 0.49 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 3ffz h THR 695 CO -0.00 0.20 0.15 1.56 -0.25 0.00 0.00 175.52 177.18 3ffz h GLN 696 N 0.74 1.06 -0.15 4.72 4.20 -1.58 0.71 115.11 124.80 3ffz h GLN 696 Ca 0.19 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3ffz h GLN 696 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ffz h GLN 696 CO -0.03 0.94 -0.26 0.74 -0.67 0.00 0.00 178.83 179.55 3ffz h PHE 697 N 1.00 0.31 -0.03 2.96 0.04 -1.11 -1.72 116.94 118.39 3ffz h PHE 697 Ca 0.21 -0.06 -0.17 0.00 2.80 0.00 0.00 57.97 60.75 3ffz h PHE 697 Cb 0.37 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.45 3ffz h PHE 697 CO 0.03 0.53 -0.66 -0.91 -0.60 0.00 0.00 178.31 176.69 3ffz h ASN 698 N 0.25 0.64 -0.73 2.17 -0.26 -0.73 -2.92 115.58 114.00 3ffz h ASN 698 Ca 0.04 -0.72 0.13 0.00 -0.56 0.00 0.00 56.30 55.19 3ffz h ASN 698 Cb 0.61 -0.19 -0.05 0.00 -1.06 0.00 0.00 38.32 37.63 3ffz h ASN 698 CO 0.04 1.27 0.48 0.50 -1.06 0.00 0.00 177.43 178.67 3ffz h LYS 699 N 0.06 0.43 -0.11 0.81 1.63 -0.67 0.14 116.57 118.86 3ffz h LYS 699 Ca -0.07 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 3ffz h LYS 699 Cb 1.34 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 3ffz h LYS 699 CO 0.13 0.28 -0.35 0.00 -3.45 0.00 0.00 179.45 176.06 3ffz h ARG 700 N 0.44 0.22 -0.53 1.90 2.47 -1.17 0.22 114.38 117.94 3ffz h ARG 700 Ca 0.35 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.91 3ffz h ARG 700 Cb 0.76 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 3ffz h ARG 700 CO -0.11 0.55 0.06 0.87 0.56 0.00 0.00 179.97 181.90 3ffz h LYS 701 N 0.19 0.89 -0.18 0.04 1.57 -0.57 -0.41 116.57 118.11 3ffz h LYS 701 Ca 0.02 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3ffz h LYS 701 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3ffz h LYS 701 CO 0.05 0.89 -0.03 0.93 -0.57 0.00 0.00 179.45 180.72 3ffz h GLU 702 N 0.77 0.34 -0.57 3.15 5.08 -0.82 -2.23 114.58 120.31 3ffz h GLU 702 Ca 0.16 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3ffz h GLU 702 Cb 0.45 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3ffz h GLU 702 CO 0.02 0.60 0.28 1.96 -1.00 0.00 0.00 179.01 180.87 3ffz h GLN 703 N 0.06 0.52 -0.89 2.33 4.20 -0.45 -1.09 115.11 119.79 3ffz h GLN 703 Ca 0.05 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.76 3ffz h GLN 703 Cb 0.46 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 3ffz h GLN 703 CO 0.02 0.35 0.58 1.98 -0.67 0.00 0.00 178.83 181.09 3ffz h MET 704 N 0.54 1.08 -0.06 1.46 4.05 -0.91 -0.70 114.93 120.39 3ffz h MET 704 Ca 0.26 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3ffz h MET 704 Cb 0.18 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3ffz h MET 704 CO -0.18 0.72 0.00 -0.92 0.23 0.00 0.00 176.91 176.75 3ffz h TYR 705 N 1.11 0.11 -0.25 1.39 3.20 -0.70 -0.54 116.97 121.29 3ffz h TYR 705 Ca 0.35 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3ffz h TYR 705 Cb 0.01 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3ffz h TYR 705 CO -0.00 0.36 -0.06 1.96 -1.64 0.00 0.00 178.16 178.78 3ffz h GLN 706 N -0.18 0.00 -0.51 1.82 4.20 -0.86 -0.76 115.11 118.83 3ffz h GLN 706 Ca 0.02 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.82 3ffz h GLN 706 Cb 0.32 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 3ffz h GLN 706 CO 0.00 0.00 0.09 0.00 -0.67 0.00 0.00 178.83 178.25 3ffz h ALA 707 N 1.25 0.56 -0.29 3.87 0.00 -1.03 -0.40 119.26 123.22 3ffz h ALA 707 Ca 0.12 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ffz h ALA 707 Cb 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ffz h ALA 707 CO -0.26 -0.32 -0.18 -0.07 0.00 0.00 0.00 179.25 178.42 3ffz h LEU 708 N 0.22 0.52 -0.49 0.00 3.38 -0.35 -2.54 115.31 116.05 3ffz h LEU 708 Ca 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3ffz h LEU 708 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ffz h LEU 708 CO -0.35 0.72 -0.10 1.56 0.09 0.00 0.00 178.44 180.37 3ffz h GLN 709 N 0.48 0.93 -0.73 1.13 4.20 -0.40 -2.56 115.11 118.16 3ffz h GLN 709 Ca 0.08 -0.35 0.11 0.00 0.06 0.00 0.00 58.65 58.56 3ffz h GLN 709 Cb 0.59 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 3ffz h GLN 709 CO 0.04 1.01 0.34 -0.91 -0.67 0.00 0.00 178.83 178.63 3ffz h ASN 710 N 0.79 0.40 -0.57 1.46 2.35 -0.79 -0.04 115.58 119.17 3ffz h ASN 710 Ca 0.13 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3ffz h ASN 710 Cb 0.65 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3ffz h ASN 710 CO 0.04 0.20 0.30 1.56 -1.65 0.00 0.00 177.43 177.89 3ffz h GLN 711 N 0.55 0.81 -0.27 0.81 1.08 -1.24 0.73 115.11 117.58 3ffz h GLN 711 Ca 0.38 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3ffz h GLN 711 Cb 0.48 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 3ffz h GLN 711 CO -0.32 0.63 0.15 0.28 -0.95 0.00 0.00 178.83 178.62 3ffz h VAL 712 N 0.77 1.11 -0.06 -0.54 2.07 -0.88 -0.06 116.25 118.67 3ffz h VAL 712 Ca 0.20 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3ffz h VAL 712 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ffz h VAL 712 CO -0.03 0.11 -0.28 -1.13 0.02 0.00 0.00 177.57 176.26 3ffz h ASN 713 N 0.32 0.10 -0.18 0.57 -1.24 -0.79 0.40 115.58 114.76 3ffz h ASN 713 Ca 0.09 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 3ffz h ASN 713 Cb 0.04 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 3ffz h ASN 713 CO -0.02 0.38 -0.11 0.00 -1.29 0.00 0.00 177.43 176.39 3ffz h ALA 714 N 1.63 0.26 0.93 1.57 0.00 -0.47 -1.17 119.26 122.02 3ffz h ALA 714 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3ffz h ALA 714 Cb 0.54 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ffz h ALA 714 CO 0.04 0.11 -0.47 0.82 0.00 0.00 0.00 179.25 179.75 3ffz h ILE 715 N 0.08 0.04 -0.75 0.00 1.08 -0.46 -2.76 117.51 114.74 3ffz h ILE 715 Ca 0.04 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.66 3ffz h ILE 715 Cb 0.62 0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 34.27 3ffz h ILE 715 CO 0.03 0.00 -0.15 0.50 -0.69 0.00 0.00 178.15 177.84 3ffz h LYS 716 N -1.28 0.02 -0.20 2.37 3.64 -0.24 1.13 116.57 122.01 3ffz h LYS 716 Ca -0.13 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3ffz h LYS 716 Cb 0.99 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3ffz h LYS 716 CO 0.19 0.01 0.27 1.15 -2.27 0.00 0.00 179.45 178.81 3ffz h THR 717 N 0.02 0.33 0.00 1.00 2.02 -1.01 -0.35 112.91 114.92 3ffz h THR 717 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 3ffz h THR 717 Cb 0.59 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3ffz h THR 717 CO -0.75 0.00 -1.28 -0.38 0.37 0.00 0.00 175.52 173.48 3ffz n ILE 718 N -3.58 0.39 0.68 3.11 5.41 0.38 -2.51 119.36 123.25 3ffz n ILE 718 Ca 0.02 -0.50 0.08 0.00 1.00 0.00 0.00 62.75 63.35 3ffz n ILE 718 Cb 0.39 -0.18 0.22 0.00 -0.71 0.00 0.00 39.64 39.36 3ffz n ILE 718 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ffz n ILE 719 N -2.47 0.53 0.00 1.39 5.41 -0.19 -2.56 119.36 121.47 3ffz n ILE 719 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.18 3ffz n ILE 719 Cb 0.54 0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.80 3ffz n ILE 719 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ffz n GLU 720 N 0.74 2.62 -0.08 0.38 2.13 -0.92 -4.28 120.64 121.24 3ffz n GLU 720 Ca 0.15 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.83 3ffz n GLU 720 Cb 0.37 -0.77 -0.11 0.00 0.27 0.00 0.00 31.44 31.20 3ffz n GLU 720 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ffz h SER 721 N 0.00 0.00 -0.27 4.31 0.87 -1.43 -3.30 113.55 113.73 3ffz h SER 721 Ca 0.00 -0.74 0.02 0.00 -1.23 0.00 0.00 61.79 59.85 3ffz h SER 721 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3ffz h SER 721 CO 0.00 1.05 0.11 0.50 -0.53 0.00 0.00 176.83 177.97 3ffz h LYS 722 N -1.00 0.24 -0.07 2.24 1.63 -1.77 0.10 116.57 117.94 3ffz h LYS 722 Ca -0.08 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3ffz h LYS 722 Cb 0.95 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 3ffz h LYS 722 CO -0.05 0.16 0.00 0.98 -3.45 0.00 0.00 179.45 177.09 3ffz n TYR 723 N -5.01 0.00 -0.32 1.91 -0.00 -1.26 -0.76 117.16 111.73 3ffz n TYR 723 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 3ffz n TYR 723 Cb 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 3ffz n TYR 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3ffz n ASN 724 N -0.11 0.31 -1.37 2.98 4.13 0.33 -4.56 115.26 116.97 3ffz n ASN 724 Ca 0.00 -0.72 0.09 0.00 1.68 0.00 0.00 54.58 55.63 3ffz n ASN 724 Cb 0.02 0.18 0.31 0.00 -1.54 0.00 0.00 39.78 38.75 3ffz n ASN 724 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ffz n SER 725 N -0.18 4.01 -4.96 6.41 7.64 0.06 -4.92 113.62 121.67 3ffz n SER 725 Ca 0.00 -2.29 -0.18 0.00 1.01 0.00 0.00 58.87 57.41 3ffz n SER 725 Cb 0.08 -0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3ffz n SER 725 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ffz s TYR 726 N -1.64 2.71 0.26 1.43 2.02 -1.24 -5.10 117.35 115.79 3ffz s TYR 726 Ca 0.44 -0.45 0.08 0.00 -0.37 0.00 0.00 57.07 56.77 3ffz s TYR 726 Cb 0.27 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 3ffz s TYR 726 CO 0.24 -0.35 0.12 0.99 -1.57 0.00 0.00 175.55 174.98 3ffz s THR 727 N -2.41 4.01 0.58 -0.71 2.01 -1.26 -4.99 115.64 112.88 3ffz s THR 727 Ca 0.53 -1.60 0.28 0.00 0.31 0.00 0.00 61.69 61.21 3ffz s THR 727 Cb -0.07 -3.18 0.35 0.00 0.01 0.00 0.00 72.50 69.60 3ffz s THR 727 CO 0.31 -0.35 2.21 0.25 -0.69 0.00 0.00 174.62 176.35 3ffz h LEU 728 N 1.63 0.00 -4.63 4.42 6.46 -2.00 -1.26 115.31 119.92 3ffz h LEU 728 Ca -0.47 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 56.77 3ffz h LEU 728 Cb 1.24 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 41.00 3ffz h LEU 728 CO 0.61 0.00 0.55 -0.62 -0.62 0.00 0.00 178.44 178.36 3ffz n GLU 729 N -3.91 2.58 0.00 1.25 1.02 -1.26 -3.08 120.64 117.23 3ffz n GLU 729 Ca -0.02 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 3ffz n GLU 729 Cb 0.15 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3ffz n GLU 729 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ffz n GLU 730 N 0.90 0.00 0.15 3.49 1.02 -0.97 -4.92 120.64 120.31 3ffz n GLU 730 Ca 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 3ffz n GLU 730 Cb 0.52 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 32.40 3ffz n GLU 730 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3ffz n LYS 731 N -2.18 0.11 -2.74 3.49 4.81 -0.52 -4.10 118.16 117.03 3ffz n LYS 731 Ca 0.00 0.59 -0.43 0.00 -0.87 0.00 0.00 58.31 57.60 3ffz n LYS 731 Cb 0.00 -2.00 -0.00 0.00 0.02 0.00 0.00 35.03 33.05 3ffz n LYS 731 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3ffz s ASN 732 N -3.69 6.89 0.30 3.14 0.02 -1.21 -4.94 114.94 115.46 3ffz s ASN 732 Ca -0.02 -2.56 0.03 0.00 -1.02 0.00 0.00 52.86 49.29 3ffz s ASN 732 Cb 0.05 -2.50 -0.06 0.00 0.02 0.00 0.00 41.25 38.76 3ffz s ASN 732 CO 0.15 -1.03 0.07 -1.61 0.02 0.00 0.00 177.10 174.70 3ffz s GLU 733 N 3.19 1.58 -0.09 -0.60 0.41 -1.26 -5.06 118.70 116.88 3ffz s GLU 733 Ca 0.48 -1.87 0.13 0.00 -0.41 0.00 0.00 54.97 53.30 3ffz s GLU 733 Cb 0.01 -0.67 0.19 0.00 -1.78 0.00 0.00 34.13 31.88 3ffz s GLU 733 CO 0.03 -0.22 1.09 1.28 -0.49 0.00 0.00 175.26 176.94 3ffz n LEU 734 N -0.62 1.67 -3.23 1.80 4.77 -1.26 -4.84 117.00 115.30 3ffz n LEU 734 Ca -0.01 -2.43 -0.24 0.00 -0.03 0.00 0.00 56.01 53.30 3ffz n LEU 734 Cb 0.66 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3ffz n LEU 734 CO 0.41 0.56 -0.15 0.35 -1.33 0.00 0.00 177.39 177.23 3ffz n THR 735 N -0.99 0.49 -2.33 -5.08 -2.24 -1.26 -4.78 114.28 98.10 3ffz n THR 735 Ca 0.11 -4.55 -0.02 0.00 -2.27 0.00 0.00 64.05 57.31 3ffz n THR 735 Cb 0.63 -1.67 0.04 0.00 -2.10 0.00 0.00 70.33 67.23 3ffz n THR 735 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ffz n ASN 736 N 0.94 -0.82 0.10 3.42 5.15 -1.26 -4.80 115.26 117.99 3ffz n ASN 736 Ca 0.25 -1.59 0.15 0.00 -0.60 0.00 0.00 54.58 52.79 3ffz n ASN 736 Cb 0.51 0.35 0.37 0.00 -0.53 0.00 0.00 39.78 40.48 3ffz n ASN 736 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3ffz h LYS 737 N 0.41 0.00 0.00 1.20 6.56 -1.90 -3.43 116.57 119.40 3ffz h LYS 737 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 3ffz h LYS 737 Cb 1.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 3ffz h LYS 737 CO -0.14 0.00 0.00 0.98 -2.06 0.00 0.00 179.45 178.23 3ffz n TYR 738 N -2.98 0.00 0.04 -1.35 9.36 -1.26 -2.45 117.16 118.53 3ffz n TYR 738 Ca 0.09 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.28 3ffz n TYR 738 Cb 1.06 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.75 3ffz n TYR 738 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 3ffz h ASP 739 N 0.00 -0.15 0.00 2.98 3.58 -1.84 -0.45 116.42 120.53 3ffz h ASP 739 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3ffz h ASP 739 Cb 0.00 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ffz h ASP 739 CO 0.00 0.19 0.00 -0.38 -2.88 0.00 0.00 179.24 176.17 3ffz n ILE 740 N -4.13 0.00 -0.09 2.25 5.41 -1.03 -4.10 119.36 117.68 3ffz n ILE 740 Ca -0.02 0.96 -0.11 0.00 1.00 0.00 0.00 62.75 64.59 3ffz n ILE 740 Cb 0.07 -1.45 -0.10 0.00 -0.71 0.00 0.00 39.64 37.45 3ffz n ILE 740 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3ffz n LYS 741 N -0.99 1.00 -4.39 0.38 2.85 -1.26 -4.88 118.16 110.86 3ffz n LYS 741 Ca 0.00 0.05 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 3ffz n LYS 741 Cb 0.00 -1.39 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 3ffz n LYS 741 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ffz n GLN 742 N -2.82 0.79 0.00 -1.58 6.02 -1.26 -4.60 117.38 113.93 3ffz n GLN 742 Ca -0.30 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.17 3ffz n GLN 742 Cb 0.93 0.82 0.00 0.00 1.02 0.00 0.00 30.24 33.00 3ffz n GLN 742 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3ffz n ILE 743 N -1.35 0.00 0.00 5.09 -0.00 -1.25 -4.00 119.36 117.86 3ffz n ILE 743 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 3ffz n ILE 743 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.26 3ffz n ILE 743 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 3ffz n GLU 744 N 0.00 0.00 -0.29 0.38 4.07 -0.18 -2.24 120.64 122.39 3ffz n GLU 744 Ca 0.00 0.26 0.10 0.00 -0.06 0.00 0.00 57.16 57.46 3ffz n GLU 744 Cb 0.00 -1.23 0.23 0.00 -0.06 0.00 0.00 31.44 30.37 3ffz n GLU 744 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3ffz h ASN 745 N 0.00 -0.27 -0.15 4.31 4.21 -1.73 -1.86 115.58 120.08 3ffz h ASN 745 Ca 0.00 0.22 0.04 0.00 1.21 0.00 0.00 56.30 57.77 3ffz h ASN 745 Cb 0.00 0.35 -0.07 0.00 -1.12 0.00 0.00 38.32 37.49 3ffz h ASN 745 CO 0.00 -0.21 -0.47 -0.33 -1.29 0.00 0.00 177.43 175.13 3ffz h GLU 746 N 0.11 -0.50 -0.40 0.81 4.39 -1.81 0.13 114.58 117.33 3ffz h GLU 746 Ca 0.50 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.25 3ffz h GLU 746 Cb 0.96 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3ffz h GLU 746 CO -0.72 -0.33 0.24 -0.07 -1.16 0.00 0.00 179.01 176.97 3ffz h LEU 747 N -0.52 0.40 -1.56 1.33 3.38 -0.90 0.52 115.31 117.98 3ffz h LEU 747 Ca 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ffz h LEU 747 Cb 0.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3ffz h LEU 747 CO -0.43 0.29 0.30 0.78 0.09 0.00 0.00 178.44 179.48 3ffz h ASN 748 N 0.49 0.52 -0.13 -0.43 -0.26 -0.86 0.47 115.58 115.38 3ffz h ASN 748 Ca 0.15 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 3ffz h ASN 748 Cb -0.01 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 3ffz h ASN 748 CO -0.06 0.37 -0.25 1.56 -1.06 0.00 0.00 177.43 177.99 3ffz h GLN 749 N 0.61 0.39 -0.30 0.81 4.20 -0.16 -1.71 115.11 118.95 3ffz h GLN 749 Ca 0.17 -0.25 0.09 0.00 0.06 0.00 0.00 58.65 58.71 3ffz h GLN 749 Cb -0.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3ffz h GLN 749 CO -0.04 0.85 0.21 0.87 -0.67 0.00 0.00 178.83 180.06 3ffz h LYS 750 N -0.02 0.00 0.03 1.46 1.79 0.52 -1.32 116.57 119.03 3ffz h LYS 750 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 3ffz h LYS 750 Cb 0.84 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.51 3ffz h LYS 750 CO 0.06 0.00 -0.88 0.28 -1.08 0.00 0.00 179.45 177.83 3ffz h VAL 751 N 0.00 1.36 0.00 0.50 2.07 0.17 -2.69 116.25 117.66 3ffz h VAL 751 Ca 0.14 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 3ffz h VAL 751 Cb 0.57 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3ffz h VAL 751 CO -0.00 0.67 -0.13 0.77 0.02 0.00 0.00 177.57 178.90 3ffz h SER 752 N 0.11 0.00 -0.11 0.57 4.64 -0.51 0.62 113.55 118.87 3ffz h SER 752 Ca -0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3ffz h SER 752 Cb 1.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3ffz h SER 752 CO 0.17 0.13 -0.06 0.40 -0.87 0.00 0.00 176.83 176.60 3ffz h ILE 753 N 0.00 1.33 -0.76 0.95 1.08 -1.20 -2.92 117.51 115.99 3ffz h ILE 753 Ca -0.00 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 3ffz h ILE 753 Cb 0.31 1.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.87 3ffz h ILE 753 CO 0.02 0.32 0.39 0.00 -0.69 0.00 0.00 178.15 178.19 3ffz h ALA 754 N 0.63 1.26 -0.06 1.87 0.00 -1.02 -1.70 119.26 120.24 3ffz h ALA 754 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ffz h ALA 754 Cb 0.53 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ffz h ALA 754 CO 0.02 0.59 0.06 0.52 0.00 0.00 0.00 179.25 180.43 3ffz h MET 755 N 1.07 0.00 -0.52 0.00 2.86 -0.74 -0.65 114.93 116.96 3ffz h MET 755 Ca 0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.80 3ffz h MET 755 Cb 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3ffz h MET 755 CO -0.04 0.00 -0.10 -0.91 1.06 0.00 0.00 176.91 176.92 3ffz h ASN 756 N 0.00 0.97 -0.24 1.22 2.35 -1.13 -0.43 115.58 118.32 3ffz h ASN 756 Ca 0.03 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 3ffz h ASN 756 Cb 0.15 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3ffz h ASN 756 CO -0.00 1.08 -0.33 0.78 -1.65 0.00 0.00 177.43 177.30 3ffz h ASN 757 N 0.87 0.72 -0.59 5.81 2.35 -1.22 -2.73 115.58 120.79 3ffz h ASN 757 Ca 0.14 -0.51 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3ffz h ASN 757 Cb 0.65 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3ffz h ASN 757 CO 0.04 1.08 0.13 0.40 -1.65 0.00 0.00 177.43 177.44 3ffz h ILE 758 N 0.37 1.25 -0.19 2.81 2.04 -1.19 -2.11 117.51 120.48 3ffz h ILE 758 Ca 0.03 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3ffz h ILE 758 Cb 0.92 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3ffz h ILE 758 CO 0.08 0.35 -0.09 -0.78 0.00 0.00 0.00 178.15 177.71 3ffz h ASP 759 N 0.94 0.42 -0.32 1.72 1.82 -1.07 -1.43 116.42 118.49 3ffz h ASP 759 Ca 0.20 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 3ffz h ASP 759 Cb 0.36 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 3ffz h ASP 759 CO 0.00 0.73 0.21 -0.09 -1.61 0.00 0.00 179.24 178.48 3ffz h ARG 760 N 0.10 0.42 0.17 0.28 2.43 -1.45 0.72 114.38 117.04 3ffz h ARG 760 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ffz h ARG 760 Cb 0.57 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3ffz h ARG 760 CO 0.03 0.28 -0.21 0.35 -1.51 0.00 0.00 179.97 178.90 3ffz h PHE 761 N 0.43 -0.60 -0.97 2.20 3.57 -1.27 0.51 116.94 120.79 3ffz h PHE 761 Ca 0.12 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3ffz h PHE 761 Cb -0.05 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 3ffz h PHE 761 CO -0.05 -0.27 0.62 -0.07 -2.23 0.00 0.00 178.31 176.31 3ffz h LEU 762 N -0.39 0.92 0.58 0.59 3.38 -1.25 -0.80 115.31 118.35 3ffz h LEU 762 Ca -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ffz h LEU 762 Cb 0.35 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ffz h LEU 762 CO -0.05 0.53 -0.28 0.74 0.09 0.00 0.00 178.44 179.47 3ffz h THR 763 N 1.01 0.42 -0.68 0.22 2.02 -0.59 -0.01 112.91 115.31 3ffz h THR 763 Ca 0.46 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.72 3ffz h THR 763 Cb 0.39 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3ffz h THR 763 CO -0.22 0.01 0.45 -0.33 0.37 0.00 0.00 175.52 175.80 3ffz h GLU 764 N -0.80 0.43 0.02 6.66 5.08 -0.57 -1.28 114.58 124.11 3ffz h GLU 764 Ca -0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ffz h GLU 764 Cb 0.61 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ffz h GLU 764 CO 0.13 0.28 -0.01 0.77 -1.00 0.00 0.00 179.01 179.18 3ffz h SER 765 N 0.44 -0.02 -0.61 1.42 0.02 -0.60 0.20 113.55 114.40 3ffz h SER 765 Ca 0.32 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3ffz h SER 765 Cb 0.66 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 3ffz h SER 765 CO -0.10 0.17 0.34 -1.28 -1.14 0.00 0.00 176.83 174.82 3ffz h SER 766 N -0.22 0.51 -0.44 3.07 0.87 -0.07 0.68 113.55 117.95 3ffz h SER 766 Ca -0.00 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 3ffz h SER 766 Cb 0.21 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3ffz h SER 766 CO 0.00 0.34 -0.16 0.40 -0.53 0.00 0.00 176.83 176.88 3ffz h ILE 767 N 0.64 1.27 -0.88 2.23 1.08 -1.12 -1.80 117.51 118.93 3ffz h ILE 767 Ca 0.27 -1.30 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3ffz h ILE 767 Cb 0.14 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 3ffz h ILE 767 CO -0.16 0.45 0.58 -1.28 -0.69 0.00 0.00 178.15 177.05 3ffz h SER 768 N 0.81 1.00 -0.27 1.72 0.87 0.44 0.11 113.55 118.24 3ffz h SER 768 Ca 0.12 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3ffz h SER 768 Cb 0.70 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3ffz h SER 768 CO 0.05 0.71 -0.14 0.22 -0.53 0.00 0.00 176.83 177.15 3ffz h TYR 769 N 1.17 0.76 -0.50 2.24 3.20 -0.47 -1.42 116.97 121.96 3ffz h TYR 769 Ca 0.33 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3ffz h TYR 769 Cb -0.11 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3ffz h TYR 769 CO -0.00 0.79 0.18 1.25 -1.64 0.00 0.00 178.16 178.74 3ffz h LEU 770 N 0.63 0.71 -1.06 2.82 5.85 -0.25 -1.76 115.31 122.24 3ffz h LEU 770 Ca 0.11 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3ffz h LEU 770 Cb 0.59 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ffz h LEU 770 CO 0.04 0.71 -0.06 0.24 -0.34 0.00 0.00 178.44 179.03 3ffz h MET 771 N 0.67 0.60 -0.21 1.25 2.86 -0.54 0.11 114.93 119.67 3ffz h MET 771 Ca 0.16 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3ffz h MET 771 Cb 0.23 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3ffz h MET 771 CO -0.01 0.67 0.09 0.87 1.06 0.00 0.00 176.91 179.59 3ffz h LYS 772 N 0.56 0.31 -0.23 1.72 1.57 -0.87 0.27 116.57 119.91 3ffz h LYS 772 Ca 0.11 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3ffz h LYS 772 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3ffz h LYS 772 CO 0.02 0.36 -0.23 -0.84 -0.57 0.00 0.00 179.45 178.19 3ffz h ILE 773 N 0.20 1.25 -0.09 1.86 3.07 -0.92 0.68 117.51 123.56 3ffz h ILE 773 Ca 0.07 -1.20 -0.04 0.00 1.55 0.00 0.00 64.86 65.25 3ffz h ILE 773 Cb 0.16 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3ffz h ILE 773 CO -0.01 0.38 -0.10 0.40 -1.05 0.00 0.00 178.15 177.77 3ffz h ILE 774 N 0.38 1.37 -0.51 0.16 1.08 -0.51 -2.83 117.51 116.65 3ffz h ILE 774 Ca 0.06 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.24 3ffz h ILE 774 Cb 0.62 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 3ffz h ILE 774 CO 0.04 0.36 0.26 0.78 -0.69 0.00 0.00 178.15 178.90 3ffz h ASN 775 N -0.20 0.66 -0.65 1.72 2.35 -0.33 -2.66 115.58 116.47 3ffz h ASN 775 Ca 0.01 -0.12 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 3ffz h ASN 775 Cb 0.62 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.74 3ffz h ASN 775 CO 0.02 0.59 0.22 -0.08 -1.65 0.00 0.00 177.43 176.54 3ffz h GLU 776 N 0.68 0.37 0.00 0.81 4.81 -0.89 -2.22 114.58 118.14 3ffz h GLU 776 Ca 0.18 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 3ffz h GLU 776 Cb 0.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3ffz h GLU 776 CO -0.02 0.25 -0.68 -0.24 -0.73 0.00 0.00 179.01 177.58 3ffz h VAL 777 N 0.39 1.43 0.00 0.32 3.04 -1.23 -1.98 116.25 118.21 3ffz h VAL 777 Ca 0.34 -2.37 -0.01 0.00 -1.01 0.00 0.00 66.70 63.64 3ffz h VAL 777 Cb 0.46 2.30 -0.00 0.00 -2.01 0.00 0.00 31.29 32.04 3ffz h VAL 777 CO -0.35 0.67 -0.47 0.07 -1.01 0.00 0.00 177.57 176.47 3ffz h LYS 778 N 0.00 0.00 0.00 4.17 2.10 -1.21 -0.36 116.57 121.26 3ffz h LYS 778 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3ffz h LYS 778 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3ffz h LYS 778 CO 0.09 0.03 -0.33 0.82 -2.00 0.00 0.00 179.45 178.06 3ffz h ILE 779 N 0.00 0.00 0.00 0.07 2.04 -1.36 -3.00 117.51 115.26 3ffz h ILE 779 Ca -0.01 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3ffz h ILE 779 Cb 1.04 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3ffz h ILE 779 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95 3ffz n ASN 780 N -2.25 0.00 -0.30 1.72 2.85 -0.75 -4.71 115.26 111.82 3ffz n ASN 780 Ca 0.04 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.66 3ffz n ASN 780 Cb 0.44 0.00 0.39 0.00 1.24 0.00 0.00 39.78 41.85 3ffz n ASN 780 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3ffz h LYS 781 N 0.00 0.63 -0.01 1.20 1.79 -1.71 -1.72 116.57 116.75 3ffz h LYS 781 Ca 0.00 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.21 3ffz h LYS 781 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 3ffz h LYS 781 CO 0.00 0.42 -0.92 -0.07 -1.08 0.00 0.00 179.45 177.80 3ffz h LEU 782 N 0.65 0.52 0.23 2.94 3.38 -1.28 -2.37 115.31 119.38 3ffz h LEU 782 Ca 0.51 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ffz h LEU 782 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3ffz h LEU 782 CO -0.27 1.20 -0.19 -0.09 0.09 0.00 0.00 178.44 179.19 3ffz h ARG 783 N 0.23 -0.41 -0.98 1.13 2.43 -1.24 0.88 114.38 116.41 3ffz h ARG 783 Ca -0.07 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 3ffz h ARG 783 Cb 1.55 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 31.10 3ffz h ARG 783 CO 0.16 -0.28 0.60 1.49 -1.51 0.00 0.00 179.97 180.44 3ffz h GLU 784 N -0.43 0.87 -0.11 0.20 4.81 -1.35 -1.03 114.58 117.54 3ffz h GLU 784 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3ffz h GLU 784 Cb 0.38 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3ffz h GLU 784 CO -0.01 0.57 0.03 -0.92 -0.73 0.00 0.00 179.01 177.95 3ffz h TYR 785 N 0.89 0.18 -0.67 0.92 3.20 -0.77 -1.00 116.97 119.72 3ffz h TYR 785 Ca 0.51 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.41 3ffz h TYR 785 Cb 0.62 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3ffz h TYR 785 CO -0.01 0.33 0.39 -0.44 -1.64 0.00 0.00 178.16 176.79 3ffz h ASP 786 N -0.02 0.60 -0.90 -2.11 3.32 -0.08 0.78 116.42 118.00 3ffz h ASP 786 Ca 0.03 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3ffz h ASP 786 Cb 0.24 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 3ffz h ASP 786 CO -0.00 0.39 0.56 -0.33 -1.72 0.00 0.00 179.24 178.15 3ffz h GLU 787 N 0.73 0.97 -0.09 3.56 4.39 -0.97 -0.86 114.58 122.32 3ffz h GLU 787 Ca 0.29 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.77 3ffz h GLU 787 Cb 0.14 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3ffz h GLU 787 CO -0.16 0.64 -0.65 -0.91 -1.16 0.00 0.00 179.01 176.77 3ffz h ASN 788 N 1.00 0.40 -0.47 1.42 4.21 0.24 -1.88 115.58 120.49 3ffz h ASN 788 Ca 0.40 -0.24 -0.13 0.00 1.21 0.00 0.00 56.30 57.54 3ffz h ASN 788 Cb 0.23 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 3ffz h ASN 788 CO -0.19 0.94 -0.21 0.58 -1.29 0.00 0.00 177.43 177.26 3ffz h VAL 789 N 0.25 1.27 0.73 2.81 2.07 -0.33 -0.81 116.25 122.25 3ffz h VAL 789 Ca -0.01 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 3ffz h VAL 789 Cb 1.19 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3ffz h VAL 789 CO 0.11 0.47 -0.35 0.50 0.02 0.00 0.00 177.57 178.32 3ffz h LYS 790 N 0.82 -0.95 -0.76 1.57 3.64 -1.12 0.20 116.57 119.97 3ffz h LYS 790 Ca 0.11 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 3ffz h LYS 790 Cb 0.78 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.69 3ffz h LYS 790 CO 0.06 -0.62 -0.39 1.15 -2.27 0.00 0.00 179.45 177.38 3ffz h THR 791 N -1.03 0.08 0.23 1.00 2.02 -1.24 0.35 112.91 114.32 3ffz h THR 791 Ca -0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3ffz h THR 791 Cb 0.77 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3ffz h THR 791 CO 0.17 0.00 -0.19 0.22 0.37 0.00 0.00 175.52 176.09 3ffz h TYR 792 N -0.11 -0.49 -0.12 3.16 3.20 -0.97 -2.80 116.97 118.84 3ffz h TYR 792 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3ffz h TYR 792 Cb 0.56 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3ffz h TYR 792 CO -0.76 -0.28 0.08 -0.07 -1.64 0.00 0.00 178.16 175.48 3ffz h LEU 793 N -0.43 0.13 -0.98 2.82 3.38 0.94 -0.01 115.31 121.17 3ffz h LEU 793 Ca -0.01 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3ffz h LEU 793 Cb 0.38 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3ffz h LEU 793 CO -0.02 0.10 0.61 -0.07 0.09 0.00 0.00 178.44 179.14 3ffz h LEU 794 N 0.16 0.89 -0.66 1.67 4.07 -0.41 -0.85 115.31 120.17 3ffz h LEU 794 Ca 0.04 0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 3ffz h LEU 794 Cb -0.02 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3ffz h LEU 794 CO -0.01 0.47 -0.65 -1.13 -1.08 0.00 0.00 178.44 176.04 3ffz h ASN 795 N 0.96 0.09 -0.29 -0.43 -0.73 -1.17 -2.01 115.58 112.00 3ffz h ASN 795 Ca 0.48 -0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.52 3ffz h ASN 795 Cb 0.47 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 3ffz h ASN 795 CO -0.26 0.72 -0.10 0.22 -0.37 0.00 0.00 177.43 177.63 3ffz h TYR 796 N 0.06 0.66 0.08 0.67 3.20 -0.08 -2.10 116.97 119.46 3ffz h TYR 796 Ca -0.01 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3ffz h TYR 796 Cb 1.16 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 3ffz h TYR 796 CO 0.01 0.79 -0.05 0.82 -1.64 0.00 0.00 178.16 178.09 3ffz h ILE 797 N 0.34 0.89 -0.16 1.81 2.04 -1.09 -0.93 117.51 120.40 3ffz h ILE 797 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3ffz h ILE 797 Cb 0.60 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3ffz h ILE 797 CO 0.03 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.50 3ffz h ILE 798 N -0.13 0.72 -0.75 -0.67 2.04 -1.35 0.58 117.51 117.95 3ffz h ILE 798 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3ffz h ILE 798 Cb 0.11 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3ffz h ILE 798 CO 0.00 0.00 0.49 1.56 0.00 0.00 0.00 178.15 180.21 3ffz h GLN 799 N -0.08 0.59 -0.67 2.37 1.08 -1.06 0.13 115.11 117.47 3ffz h GLN 799 Ca 0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3ffz h GLN 799 Cb 0.22 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3ffz h GLN 799 CO -0.21 0.39 0.00 0.72 -0.95 0.00 0.00 178.83 178.78 3ffz n HIS 800 N -4.50 1.21 -0.61 2.96 8.25 -0.38 -4.63 115.22 117.52 3ffz n HIS 800 Ca 0.13 -0.56 -0.03 0.00 -0.26 0.00 0.00 57.72 57.00 3ffz n HIS 800 Cb 0.38 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 3ffz n HIS 800 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ffz n GLY 801 N 1.31 2.54 0.00 -1.41 0.00 0.20 -1.97 105.19 105.85 3ffz n GLY 801 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3ffz n GLY 801 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ffz n SER 802 N 1.81 0.00 -0.00 1.61 3.41 -1.26 -4.26 113.62 114.93 3ffz n SER 802 Ca 0.12 -1.00 -0.00 0.00 -0.26 0.00 0.00 58.87 57.72 3ffz n SER 802 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3ffz n SER 802 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ffz n ILE 803 N 0.00 0.06 0.04 -1.33 -0.00 -0.83 -4.67 119.36 112.63 3ffz n ILE 803 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 62.75 62.73 3ffz n ILE 803 Cb 0.35 -0.74 -0.04 0.00 -0.00 0.00 0.00 39.64 39.21 3ffz n ILE 803 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ffz n LEU 804 N -1.96 0.04 0.00 1.39 -0.00 -1.18 -4.67 117.00 110.62 3ffz n LEU 804 Ca -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 3ffz n LEU 804 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 3ffz n LEU 804 CO 0.02 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.03 3ffz n GLY 805 N 2.02 0.00 0.19 1.47 0.00 -1.26 -1.63 105.19 105.98 3ffz n GLY 805 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3ffz n GLY 805 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ffz h GLU 806 N 0.00 0.00 -0.15 1.61 5.08 -1.94 -3.08 114.58 116.09 3ffz h GLU 806 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ffz h GLU 806 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ffz h GLU 806 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 3ffz n SER 807 N -2.58 1.26 -0.24 1.42 7.64 -0.64 -4.32 113.62 116.15 3ffz n SER 807 Ca 0.01 -1.72 -0.08 0.00 1.01 0.00 0.00 58.87 58.10 3ffz n SER 807 Cb 0.25 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 3ffz n SER 807 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3ffz h GLN 808 N 1.59 1.06 -0.14 1.43 4.20 -1.78 -2.19 115.11 119.28 3ffz h GLN 808 Ca 0.00 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.48 3ffz h GLN 808 Cb 0.35 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ffz h GLN 808 CO 0.00 0.94 0.04 1.96 -0.67 0.00 0.00 178.83 181.10 3ffz h GLN 809 N 0.99 0.10 -0.12 1.46 4.20 -1.87 0.29 115.11 120.16 3ffz h GLN 809 Ca 0.21 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3ffz h GLN 809 Cb 0.35 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3ffz h GLN 809 CO 0.00 0.06 -0.29 1.49 -0.67 0.00 0.00 178.83 179.42 3ffz h GLU 810 N 0.10 0.22 -0.00 1.46 4.81 -1.85 0.62 114.58 119.95 3ffz h GLU 810 Ca 0.06 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3ffz h GLU 810 Cb 0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3ffz h GLU 810 CO -0.07 0.50 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.54 3ffz h LEU 811 N 0.20 0.09 -1.59 1.64 3.38 -0.92 0.30 115.31 118.41 3ffz h LEU 811 Ca 0.03 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 3ffz h LEU 811 Cb 0.63 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3ffz h LEU 811 CO 0.05 0.86 0.18 0.78 0.09 0.00 0.00 178.44 180.39 3ffz h ASN 812 N -0.68 0.40 0.18 -0.43 -0.26 -0.40 -0.81 115.58 113.58 3ffz h ASN 812 Ca -0.01 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 3ffz h ASN 812 Cb 0.88 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 3ffz h ASN 812 CO 0.02 0.33 -0.08 -1.28 -1.06 0.00 0.00 177.43 175.35 3ffz h SER 813 N 0.46 -0.20 -0.90 5.81 0.87 -0.81 -1.02 113.55 117.76 3ffz h SER 813 Ca 0.12 0.01 0.26 0.00 -1.23 0.00 0.00 61.79 60.94 3ffz h SER 813 Cb 0.02 0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 61.87 3ffz h SER 813 CO -0.02 -0.12 0.05 0.80 -0.53 0.00 0.00 176.83 177.01 3ffz n MET 814 N -2.79 -0.07 0.36 2.24 0.00 0.10 -0.03 117.12 116.94 3ffz n MET 814 Ca -0.03 1.34 -0.15 0.00 -0.00 0.00 0.00 57.70 58.86 3ffz n MET 814 Cb 0.09 -2.14 -0.07 0.00 0.00 0.00 0.00 33.22 31.10 3ffz n MET 814 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3ffz h VAL 815 N 0.00 0.00 -0.84 1.12 2.07 -1.14 -1.13 116.25 116.33 3ffz h VAL 815 Ca 0.56 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.94 3ffz h VAL 815 Cb 1.18 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3ffz h VAL 815 CO -0.83 0.00 0.45 0.74 0.02 0.00 0.00 177.57 177.94 3ffz h THR 816 N -1.22 0.77 0.00 2.57 2.02 0.04 -1.65 112.91 115.44 3ffz h THR 816 Ca -0.10 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ffz h THR 816 Cb 0.73 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3ffz h THR 816 CO 0.16 0.12 0.00 -0.67 0.37 0.00 0.00 175.52 175.50 3ffz n ASP 817 N -4.84 0.00 -0.36 4.18 -0.08 0.96 -3.10 116.55 113.31 3ffz n ASP 817 Ca 0.16 0.94 -0.05 0.00 -1.51 0.00 0.00 54.79 54.34 3ffz n ASP 817 Cb 0.40 -0.44 -0.01 0.00 2.34 0.00 0.00 41.12 43.41 3ffz n ASP 817 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3ffz h THR 818 N 0.00 0.02 0.00 5.18 2.02 -0.83 0.17 112.91 119.47 3ffz h THR 818 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ffz h THR 818 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3ffz h THR 818 CO 0.00 0.00 0.02 0.18 0.37 0.00 0.00 175.52 176.09 3ffz n LEU 819 N -5.41 0.00 -0.43 2.58 4.32 -0.65 -0.86 117.00 116.54 3ffz n LEU 819 Ca 0.07 0.16 0.13 0.00 -0.02 0.00 0.00 56.01 56.35 3ffz n LEU 819 Cb 0.36 -0.16 0.29 0.00 -1.62 0.00 0.00 43.42 42.29 3ffz n LEU 819 CO -0.12 -0.16 0.62 0.59 -1.22 0.00 0.00 177.39 177.09 3ffz n ASN 820 N -1.13 1.58 -4.33 -1.43 5.03 0.59 -4.88 115.26 110.69 3ffz n ASN 820 Ca 0.00 -1.29 -0.22 0.00 0.87 0.00 0.00 54.58 53.94 3ffz n ASN 820 Cb 0.02 0.17 -0.11 0.00 -1.02 0.00 0.00 39.78 38.83 3ffz n ASN 820 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3ffz s ASN 821 N -2.33 2.69 0.08 6.41 0.02 -0.04 -5.14 114.94 116.63 3ffz s ASN 821 Ca 0.26 -0.84 0.01 0.00 -1.02 0.00 0.00 52.86 51.27 3ffz s ASN 821 Cb 0.19 -0.16 -0.04 0.00 0.02 0.00 0.00 41.25 41.27 3ffz s ASN 821 CO 0.47 -0.02 -0.06 -0.94 0.02 0.00 0.00 177.10 176.57 3ffz s SER 822 N -2.57 0.95 0.29 -1.22 1.04 -1.26 -5.00 113.70 105.93 3ffz s SER 822 Ca 0.15 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 3ffz s SER 822 Cb -0.06 0.12 -0.13 0.00 0.10 0.00 0.00 66.02 66.05 3ffz s SER 822 CO 0.06 -0.48 1.34 -0.38 0.98 0.00 0.00 173.24 174.77 3ffz n ILE 823 N 0.13 1.51 -2.70 -1.02 2.08 -1.26 -4.95 119.36 113.15 3ffz n ILE 823 Ca -0.14 -0.38 -0.30 0.00 0.56 0.00 0.00 62.75 62.50 3ffz n ILE 823 Cb 0.60 -1.53 -0.02 0.00 -0.75 0.00 0.00 39.64 37.94 3ffz n ILE 823 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3ffz s PRO 824 N -1.18 3.73 -0.25 0.38 0.04 -1.26 -5.06 135.00 131.40 3ffz s PRO 824 Ca 0.61 0.47 0.03 0.00 0.04 0.00 0.00 61.00 62.15 3ffz s PRO 824 Cb -0.60 -2.35 0.06 0.00 0.04 0.00 0.00 34.50 31.65 3ffz s PRO 824 CO 0.56 -0.13 -0.12 0.12 0.04 0.00 0.00 177.00 177.48 3ffz s PHE 825 N -2.52 3.19 0.43 0.56 5.36 -1.26 -4.74 117.98 119.00 3ffz s PHE 825 Ca 0.51 -2.24 -0.26 0.00 -0.96 0.00 0.00 56.93 53.98 3ffz s PHE 825 Cb -0.10 -1.92 -0.09 0.00 -0.34 0.00 0.00 43.02 40.57 3ffz s PHE 825 CO 0.36 -0.87 1.44 0.15 -1.46 0.00 0.00 175.22 174.84 3ffz s LYS 826 N 1.13 3.81 -0.09 10.12 1.02 0.23 -4.99 119.74 130.96 3ffz s LYS 826 Ca -0.08 2.46 -0.15 0.00 0.02 0.00 0.00 55.97 58.22 3ffz s LYS 826 Cb -0.19 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 3ffz s LYS 826 CO -0.06 -0.74 0.39 -1.17 -0.92 0.00 0.00 175.35 172.85 3ffz s LEU 827 N -2.54 4.34 -0.41 3.17 2.96 -1.26 -4.87 118.68 120.06 3ffz s LEU 827 Ca 0.59 0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 55.11 3ffz s LEU 827 Cb -0.44 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 43.74 3ffz s LEU 827 CO 0.58 0.15 0.29 -0.44 -1.32 0.00 0.00 176.35 175.62 3ffz s SER 828 N -0.04 6.03 -0.19 3.68 0.01 -1.26 -5.08 113.70 116.85 3ffz s SER 828 Ca 0.22 -0.99 -0.08 0.00 1.31 0.00 0.00 55.95 56.41 3ffz s SER 828 Cb -0.15 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3ffz s SER 828 CO 0.09 -0.46 0.07 -0.94 0.41 0.00 0.00 173.24 172.41 3ffz s SER 829 N 1.78 5.68 0.80 2.44 1.04 -1.26 -5.04 113.70 119.14 3ffz s SER 829 Ca 0.04 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 3ffz s SER 829 Cb -0.20 -1.98 0.04 0.00 0.10 0.00 0.00 66.02 63.99 3ffz s SER 829 CO 0.09 0.17 0.95 0.00 0.98 0.00 0.00 173.24 175.42 3ffz n TYR 830 N 3.57 0.47 -3.77 5.02 9.36 -1.26 -3.29 117.16 127.27 3ffz n TYR 830 Ca -0.16 0.37 -0.31 0.00 3.32 0.00 0.00 57.90 61.12 3ffz n TYR 830 Cb 0.52 -2.03 0.02 0.00 -0.63 0.00 0.00 39.34 37.22 3ffz n TYR 830 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3ffz n THR 831 N -3.04 -4.65 -3.13 2.97 5.66 -1.26 -4.92 114.28 105.91 3ffz n THR 831 Ca 0.12 -0.53 -0.19 0.00 -3.05 0.00 0.00 64.05 60.40 3ffz n THR 831 Cb 0.50 -3.60 -0.03 0.00 -1.55 0.00 0.00 70.33 65.65 3ffz n THR 831 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ffz n ASP 832 N -2.42 0.13 0.00 1.09 -0.08 -1.21 -5.11 116.55 108.95 3ffz n ASP 832 Ca -0.15 -2.94 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 3ffz n ASP 832 Cb 0.60 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.75 3ffz n ASP 832 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3ffz n ASP 833 N 0.83 0.00 0.00 1.67 9.92 -1.26 -4.87 116.55 122.84 3ffz n ASP 833 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 3ffz n ASP 833 Cb 0.61 0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 3ffz n ASP 833 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3ffz n LYS 834 N -1.65 0.00 -3.59 -1.24 4.76 -1.26 -4.73 118.16 110.45 3ffz n LYS 834 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 3ffz n LYS 834 Cb 0.00 -0.40 -0.12 0.00 -1.84 0.00 0.00 35.03 32.67 3ffz n LYS 834 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ffz s ILE 835 N 0.00 1.00 0.00 -0.18 1.01 -1.26 -5.12 121.20 116.65 3ffz s ILE 835 Ca 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 60.65 58.06 3ffz s ILE 835 Cb 0.00 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3ffz s ILE 835 CO 0.00 -1.02 0.00 -0.11 0.00 0.00 0.00 174.94 173.81 3ffz n LEU 836 N 3.29 0.00 0.00 2.97 -0.00 -1.26 -4.98 117.00 117.02 3ffz n LEU 836 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 3ffz n LEU 836 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 3ffz n LEU 836 CO 0.18 -0.34 0.00 -0.38 -0.00 0.00 0.00 177.39 176.85 3ffz n ILE 837 N -0.88 0.00 0.00 1.96 2.08 -1.26 -4.82 119.36 116.44 3ffz n ILE 837 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3ffz n ILE 837 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3ffz n ILE 837 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3ffz n SER 838 N 0.00 0.00 0.00 4.38 2.88 -1.26 -5.07 113.62 114.55 3ffz n SER 838 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ffz n SER 838 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ffz n SER 838 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3ffz n TYR 839 N 0.00 -0.77 0.32 0.66 4.01 -1.26 -4.79 117.16 115.32 3ffz n TYR 839 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 3ffz n TYR 839 Cb 0.00 0.15 0.67 0.00 -0.31 0.00 0.00 39.34 39.86 3ffz n TYR 839 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3ffz h PHE 840 N 0.00 0.00 0.00 -0.72 3.57 -1.95 -2.26 116.94 115.58 3ffz h PHE 840 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ffz h PHE 840 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3ffz h PHE 840 CO 0.00 0.00 -0.17 0.09 -2.23 0.00 0.00 178.31 176.00 3ffz n ASN 841 N -2.67 1.86 -0.24 0.41 3.02 -1.26 -4.51 115.26 111.86 3ffz n ASN 841 Ca 0.00 -2.97 0.07 0.00 -0.03 0.00 0.00 54.58 51.65 3ffz n ASN 841 Cb 0.21 -0.40 0.33 0.00 -0.61 0.00 0.00 39.78 39.31 3ffz n ASN 841 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ffz h LYS 842 N 0.14 0.79 0.00 3.52 3.64 -1.71 -3.11 116.57 119.84 3ffz h LYS 842 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3ffz h LYS 842 Cb 1.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3ffz h LYS 842 CO 0.00 0.52 -1.82 1.19 -2.27 0.00 0.00 179.45 177.08 3ffz n PHE 843 N -4.51 0.00 -3.61 1.91 3.01 -1.26 -4.79 117.46 108.21 3ffz n PHE 843 Ca 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.57 3ffz n PHE 843 Cb 0.29 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 3ffz n PHE 843 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 3ffz s PHE 844 N -3.15 -0.07 0.32 1.38 -0.12 -1.17 -0.60 117.98 114.56 3ffz s PHE 844 Ca -0.06 0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.55 3ffz s PHE 844 Cb 0.11 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.91 3ffz s PHE 844 CO 0.72 -0.14 1.40 0.21 -0.05 0.00 0.00 175.22 177.37 3ffz s LYS 845 N -2.26 4.26 -0.08 1.99 2.47 -1.26 -4.27 119.74 120.59 3ffz s LYS 845 Ca 0.11 2.35 0.01 0.00 -1.56 0.00 0.00 55.97 56.88 3ffz s LYS 845 Cb 0.01 -3.05 0.02 0.00 -1.46 0.00 0.00 37.83 33.34 3ffz s LYS 845 CO -0.04 -0.36 -0.08 0.50 0.16 0.00 0.00 175.35 175.54 3ffz s ARG 846 N -1.43 1.33 0.00 4.03 3.52 -1.26 -5.04 118.95 120.09 3ffz s ARG 846 Ca 0.53 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 3ffz s ARG 846 Cb -0.42 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 3ffz s ARG 846 CO 0.53 -0.13 0.00 -0.89 -0.81 0.00 0.00 175.30 173.99 3ffz n ILE 847 N 4.40 0.00 0.00 4.11 -0.00 -1.26 -4.84 119.36 121.77 3ffz n ILE 847 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 3ffz n ILE 847 Cb 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 3ffz n ILE 847 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3ffz n LYS 848 N 0.82 0.00 0.00 0.38 3.00 -1.26 -5.09 118.16 116.00 3ffz n LYS 848 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ffz n LYS 848 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3ffz n LYS 848 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3ffz n SER 849 N 0.00 0.00 0.04 3.14 2.88 -1.26 -0.44 113.62 117.98 3ffz n SER 849 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 3ffz n SER 849 Cb 0.00 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.16 3ffz n SER 849 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3ffz h SER 850 N 0.00 0.00 -3.64 -3.46 4.64 -1.95 -3.42 113.55 105.72 3ffz h SER 850 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3ffz h SER 850 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3ffz h SER 850 CO 0.00 0.00 0.34 -0.44 -0.87 0.00 0.00 176.83 175.86 3ffz s SER 851 N -4.97 7.55 0.00 4.97 0.01 0.42 -0.81 113.70 120.87 3ffz s SER 851 Ca -0.04 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.06 3ffz s SER 851 Cb 0.15 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3ffz s SER 851 CO 0.53 0.05 0.00 0.52 0.41 0.00 0.00 173.24 174.75 3ffz n VAL 852 N 2.15 0.00 -3.64 3.43 0.31 -0.06 -4.88 118.33 115.65 3ffz n VAL 852 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3ffz n VAL 852 Cb 0.48 0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.62 3ffz n VAL 852 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3ffz s LEU 853 N -3.12 -0.68 -0.29 7.52 2.96 -1.23 -4.71 118.68 119.12 3ffz s LEU 853 Ca 0.00 1.25 -0.01 0.00 -0.22 0.00 0.00 54.13 55.15 3ffz s LEU 853 Cb 0.00 2.23 0.13 0.00 0.50 0.00 0.00 46.19 49.05 3ffz s LEU 853 CO 0.00 -0.21 0.26 0.20 -1.32 0.00 0.00 176.35 175.28 3ffz s ASN 854 N 0.63 2.09 -0.36 3.68 0.01 -1.26 -2.71 114.94 117.02 3ffz s ASN 854 Ca -0.02 -0.93 -0.29 0.00 -0.71 0.00 0.00 52.86 50.91 3ffz s ASN 854 Cb -0.05 0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.92 3ffz s ASN 854 CO -0.06 -0.39 1.41 -0.32 -1.51 0.00 0.00 177.10 176.23 3ffz s MET 855 N 2.25 3.69 0.23 -0.60 1.75 -0.96 -1.44 119.30 124.21 3ffz s MET 855 Ca 0.10 1.11 0.01 0.00 -1.25 0.00 0.00 55.69 55.66 3ffz s MET 855 Cb -0.15 -3.99 -0.05 0.00 2.84 0.00 0.00 34.83 33.49 3ffz s MET 855 CO -0.32 -1.42 0.07 1.03 -0.65 0.00 0.00 175.02 173.73 3ffz s ARG 856 N 4.71 1.31 -0.32 4.11 1.81 -0.30 -4.27 118.95 126.00 3ffz s ARG 856 Ca 0.61 -1.69 -0.10 0.00 -1.72 0.00 0.00 55.73 52.84 3ffz s ARG 856 Cb -0.16 -0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 3ffz s ARG 856 CO 0.29 -0.26 0.17 -0.47 -0.68 0.00 0.00 175.30 174.35 3ffz s TYR 857 N -3.76 3.19 -0.03 -0.53 5.04 -1.26 -0.75 117.35 119.24 3ffz s TYR 857 Ca 0.34 -0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 54.43 3ffz s TYR 857 Cb 0.07 -2.37 0.02 0.00 0.35 0.00 0.00 41.96 40.03 3ffz s TYR 857 CO 0.11 -0.44 0.06 0.15 -1.34 0.00 0.00 175.55 174.09 3ffz s LYS 858 N 1.63 0.05 -1.15 4.97 -0.14 -0.96 -4.91 119.74 119.23 3ffz s LYS 858 Ca 0.05 0.15 -0.24 0.00 -1.36 0.00 0.00 55.97 54.57 3ffz s LYS 858 Cb -0.17 -0.06 0.00 0.00 -1.68 0.00 0.00 37.83 35.92 3ffz s LYS 858 CO 0.07 -0.07 0.77 0.09 -0.76 0.00 0.00 175.35 175.46 3ffz n ASN 859 N 3.48 -5.14 -1.85 2.83 4.13 -1.26 -2.98 115.26 114.46 3ffz n ASN 859 Ca -0.18 -1.07 -0.16 0.00 1.68 0.00 0.00 54.58 54.86 3ffz n ASN 859 Cb 0.56 -3.04 -0.04 0.00 -1.54 0.00 0.00 39.78 35.72 3ffz n ASN 859 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3ffz n ASP 860 N -2.56 -4.37 -3.73 6.41 8.00 -1.26 -4.95 116.55 114.09 3ffz n ASP 860 Ca -0.10 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 3ffz n ASP 860 Cb 0.58 -3.85 -0.03 0.00 -0.02 0.00 0.00 41.12 37.81 3ffz n ASP 860 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ffz s LYS 861 N -4.03 1.52 -0.00 -1.24 -2.85 -1.16 -5.14 119.74 106.84 3ffz s LYS 861 Ca 0.00 -0.85 -0.24 0.00 -1.00 0.00 0.00 55.97 53.88 3ffz s LYS 861 Cb 0.00 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 3ffz s LYS 861 CO 0.00 -0.67 0.73 0.71 0.10 0.00 0.00 175.35 176.22 3ffz s TYR 862 N -3.87 3.67 0.08 1.78 1.51 -1.26 -2.27 117.35 116.98 3ffz s TYR 862 Ca 0.09 1.37 -0.08 0.00 -1.01 0.00 0.00 57.07 57.44 3ffz s TYR 862 Cb -0.03 -2.80 -0.00 0.00 -0.11 0.00 0.00 41.96 39.02 3ffz s TYR 862 CO -0.01 0.20 0.18 0.54 -1.11 0.00 0.00 175.55 175.35 3ffz s VAL 863 N 0.30 0.14 -0.06 0.71 0.11 0.07 -4.57 120.40 117.09 3ffz s VAL 863 Ca 0.38 -1.17 -0.21 0.00 -2.93 0.00 0.00 61.98 58.05 3ffz s VAL 863 Cb -0.19 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3ffz s VAL 863 CO 0.21 -0.65 0.59 -0.62 -3.33 0.00 0.00 175.10 171.30 3ffz s ASP 864 N -2.76 6.88 -0.05 3.54 2.15 -1.26 -1.15 116.67 124.03 3ffz s ASP 864 Ca 0.04 1.05 0.08 0.00 0.43 0.00 0.00 52.55 54.15 3ffz s ASP 864 Cb 0.04 -2.35 0.17 0.00 -0.30 0.00 0.00 42.92 40.48 3ffz s ASP 864 CO -0.10 -0.01 1.12 0.35 -0.17 0.00 0.00 175.17 176.36 3ffz n THR 865 N 3.40 1.33 -0.16 1.71 -2.24 -0.52 -4.72 114.28 113.07 3ffz n THR 865 Ca -0.05 -1.38 -0.03 0.00 -2.27 0.00 0.00 64.05 60.32 3ffz n THR 865 Cb 0.51 0.26 0.17 0.00 -2.10 0.00 0.00 70.33 69.17 3ffz n THR 865 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3ffz h SER 866 N 0.52 0.84 0.00 3.42 4.64 -1.88 -3.47 113.55 117.61 3ffz h SER 866 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3ffz h SER 866 Cb 0.74 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3ffz h SER 866 CO 0.02 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 3ffz n GLY 867 N -0.90 1.40 3.90 -0.77 0.00 -1.26 -4.77 105.19 102.79 3ffz n GLY 867 Ca 0.05 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3ffz n GLY 867 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ffz s TYR 868 N -0.26 3.54 -0.67 1.61 2.02 -1.26 -4.03 117.35 118.30 3ffz s TYR 868 Ca 0.00 0.82 0.04 0.00 -0.37 0.00 0.00 57.07 57.56 3ffz s TYR 868 Cb 0.00 -2.29 0.31 0.00 -0.40 0.00 0.00 41.96 39.57 3ffz s TYR 868 CO 0.00 -0.21 1.00 -0.25 -1.57 0.00 0.00 175.55 174.52 3ffz n ASP 869 N -2.02 4.64 -4.70 2.29 10.43 -1.26 -4.72 116.55 121.21 3ffz n ASP 869 Ca 0.00 -3.59 -0.42 0.00 2.57 0.00 0.00 54.79 53.35 3ffz n ASP 869 Cb 0.55 -0.70 -0.03 0.00 1.84 0.00 0.00 41.12 42.78 3ffz n ASP 869 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3ffz s SER 870 N -2.84 6.46 -0.04 -2.24 0.01 -1.26 -4.87 113.70 108.92 3ffz s SER 870 Ca 0.44 2.71 -0.30 0.00 1.31 0.00 0.00 55.95 60.11 3ffz s SER 870 Cb 0.21 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3ffz s SER 870 CO -0.08 -0.97 1.13 0.21 0.41 0.00 0.00 173.24 173.95 3ffz s ASN 871 N 2.35 7.13 0.01 2.44 2.47 -1.09 -4.15 114.94 124.10 3ffz s ASN 871 Ca 0.78 1.76 0.02 0.00 0.42 0.00 0.00 52.86 55.84 3ffz s ASN 871 Cb -0.45 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 36.75 3ffz s ASN 871 CO 0.35 -0.50 0.01 -0.63 -3.72 0.00 0.00 177.10 172.60 3ffz s ILE 872 N 1.88 4.19 0.07 -5.21 1.01 -1.26 -0.78 121.20 121.10 3ffz s ILE 872 Ca 0.54 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3ffz s ILE 872 Cb -0.24 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3ffz s ILE 872 CO 0.23 0.33 -0.10 0.20 0.00 0.00 0.00 174.94 175.60 3ffz s ASN 873 N -1.71 1.24 -0.07 3.58 -0.87 0.63 -4.93 114.94 112.80 3ffz s ASN 873 Ca 0.21 -0.69 0.03 0.00 -1.57 0.00 0.00 52.86 50.84 3ffz s ASN 873 Cb -0.12 0.02 0.01 0.00 -0.02 0.00 0.00 41.25 41.14 3ffz s ASN 873 CO 0.12 -0.22 -0.16 0.27 -2.57 0.00 0.00 177.10 174.54 3ffz s ILE 874 N -1.90 1.44 -0.05 0.60 -4.36 -1.26 -0.72 121.20 114.96 3ffz s ILE 874 Ca -0.02 -0.66 0.06 0.00 -0.26 0.00 0.00 60.65 59.77 3ffz s ILE 874 Cb -0.06 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 3ffz s ILE 874 CO 0.00 0.42 -0.23 0.20 0.24 0.00 0.00 174.94 175.57 3ffz s ASN 875 N 0.49 2.82 0.15 4.36 0.01 0.10 -4.98 114.94 117.89 3ffz s ASN 875 Ca -0.15 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 3ffz s ASN 875 Cb -0.16 -0.74 0.00 0.00 0.41 0.00 0.00 41.25 40.76 3ffz s ASN 875 CO 0.05 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.48 3ffz n GLY 876 N 2.96 0.52 3.33 0.66 0.00 -1.26 -0.75 105.19 110.66 3ffz n GLY 876 Ca -0.17 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.49 3ffz n GLY 876 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ffz s ASP 877 N -4.00 6.19 -0.23 1.61 -1.08 -0.40 -4.90 116.67 113.85 3ffz s ASP 877 Ca 0.00 -1.65 -0.03 0.00 -0.52 0.00 0.00 52.55 50.35 3ffz s ASP 877 Cb 0.00 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3ffz s ASP 877 CO 0.00 -0.90 -0.05 -0.69 0.52 0.00 0.00 175.17 174.05 3ffz s VAL 878 N 1.89 3.22 0.36 1.11 1.01 -1.26 -4.62 120.40 122.11 3ffz s VAL 878 Ca 0.05 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 3ffz s VAL 878 Cb -0.28 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 3ffz s VAL 878 CO 0.04 0.34 1.11 -0.47 0.00 0.00 0.00 175.10 176.13 3ffz s TYR 879 N 1.43 3.29 -0.11 5.22 5.04 -0.87 -4.86 117.35 126.50 3ffz s TYR 879 Ca 0.04 1.63 0.02 0.00 -2.44 0.00 0.00 57.07 56.32 3ffz s TYR 879 Cb -0.15 -3.28 0.01 0.00 0.35 0.00 0.00 41.96 38.90 3ffz s TYR 879 CO -0.04 -0.86 -0.16 0.15 -1.34 0.00 0.00 175.55 173.30 3ffz s LYS 880 N -2.08 2.27 -0.05 4.97 1.02 -1.26 -0.97 119.74 123.64 3ffz s LYS 880 Ca 0.53 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 3ffz s LYS 880 Cb -0.28 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 3ffz s LYS 880 CO 0.36 -0.05 1.48 0.71 -0.92 0.00 0.00 175.35 176.94 3ffz s TYR 881 N 0.94 2.50 0.31 3.18 2.02 -0.50 -4.87 117.35 120.93 3ffz s TYR 881 Ca -0.07 0.59 0.05 0.00 -0.37 0.00 0.00 57.07 57.26 3ffz s TYR 881 Cb -0.15 -3.75 0.51 0.00 -0.40 0.00 0.00 41.96 38.17 3ffz s TYR 881 CO -0.01 -2.92 1.77 -1.00 -1.57 0.00 0.00 175.55 171.82 3ffz h PRO 882 N 8.56 0.38 0.00 -1.71 0.13 -1.96 -0.40 132.00 137.00 3ffz h PRO 882 Ca -0.36 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ffz h PRO 882 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ffz h PRO 882 CO 0.94 0.60 0.00 -2.37 -0.23 0.00 0.00 178.00 176.94 3ffz n THR 883 N -4.14 0.05 -2.73 1.56 5.66 -1.26 -4.34 114.28 109.07 3ffz n THR 883 Ca -0.01 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 3ffz n THR 883 Cb 0.38 -0.57 0.02 0.00 -1.55 0.00 0.00 70.33 68.61 3ffz n THR 883 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3ffz s ASN 884 N -2.21 -0.31 0.66 1.09 3.84 -0.99 -4.93 114.94 112.09 3ffz s ASN 884 Ca 0.36 -0.23 0.35 0.00 0.21 0.00 0.00 52.86 53.55 3ffz s ASN 884 Cb 0.19 0.40 1.89 0.00 -0.55 0.00 0.00 41.25 43.18 3ffz s ASN 884 CO 0.36 -0.03 2.08 0.11 -2.79 0.00 0.00 177.10 176.84 3ffz h LYS 885 N 4.98 0.00 0.00 0.43 1.79 -1.27 -1.24 116.57 121.25 3ffz h LYS 885 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3ffz h LYS 885 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3ffz h LYS 885 CO -0.09 0.00 0.00 -0.91 -1.08 0.00 0.00 179.45 177.37 3ffz h ASN 886 N 0.00 0.00 -3.21 0.86 -0.26 -1.91 -3.41 115.58 107.65 3ffz h ASN 886 Ca 0.01 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.16 3ffz h ASN 886 Cb 0.45 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.63 3ffz h ASN 886 CO -0.00 0.00 -0.26 -1.10 -1.06 0.00 0.00 177.43 175.01 3ffz s GLN 887 N -3.83 4.17 0.09 0.81 -0.21 -0.47 -4.42 119.66 115.81 3ffz s GLN 887 Ca -0.03 0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.61 3ffz s GLN 887 Cb 0.10 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.69 3ffz s GLN 887 CO 0.35 0.33 -0.07 -0.59 -2.12 0.00 0.00 175.29 173.19 3ffz s PHE 888 N 0.13 0.88 0.15 0.91 -0.12 -1.05 -1.41 117.98 117.48 3ffz s PHE 888 Ca 0.20 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.31 3ffz s PHE 888 Cb -0.14 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 3ffz s PHE 888 CO 0.07 -0.13 -0.19 0.20 -0.05 0.00 0.00 175.22 175.13 3ffz s GLY 889 N -2.86 1.37 0.22 1.99 0.00 -0.15 -1.76 107.32 106.13 3ffz s GLY 889 Ca 0.09 -1.45 0.09 0.00 0.00 0.00 0.00 44.72 43.45 3ffz s GLY 889 CO -0.04 -1.49 -0.16 -0.42 0.00 0.00 0.00 173.10 170.99 3ffz s ILE 890 N -1.89 1.92 0.43 0.90 -1.09 -0.38 -2.04 121.20 119.04 3ffz s ILE 890 Ca 0.14 -2.21 0.03 0.00 -2.23 0.00 0.00 60.65 56.38 3ffz s ILE 890 Cb -0.06 -2.07 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 3ffz s ILE 890 CO 0.06 -0.51 0.10 -0.31 -1.23 0.00 0.00 174.94 173.05 3ffz s TYR 891 N -2.73 1.83 0.00 3.97 1.51 -1.26 -2.48 117.35 118.18 3ffz s TYR 891 Ca 0.23 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.11 3ffz s TYR 891 Cb -0.02 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 3ffz s TYR 891 CO 0.09 -0.15 0.37 0.27 -1.11 0.00 0.00 175.55 175.01 3ffz n ASN 892 N -1.26 0.28 -0.04 2.29 6.94 -1.19 -4.34 115.26 117.93 3ffz n ASN 892 Ca -0.09 -1.10 -0.03 0.00 -0.02 0.00 0.00 54.58 53.34 3ffz n ASN 892 Cb 0.65 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.99 3ffz n ASN 892 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3ffz n ASP 893 N -0.05 2.32 0.00 0.53 5.75 -1.26 -4.93 116.55 118.91 3ffz n ASP 893 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3ffz n ASP 893 Cb 0.35 0.92 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 3ffz n ASP 893 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ffz n LYS 894 N -2.30 0.00 -3.21 0.11 5.02 -1.26 -5.07 118.16 111.45 3ffz n LYS 894 Ca -0.15 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.14 3ffz n LYS 894 Cb 0.74 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.73 3ffz n LYS 894 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ffz s LEU 895 N 0.00 -1.27 -0.24 -0.35 1.02 -1.26 -5.09 118.68 111.49 3ffz s LEU 895 Ca 0.00 0.14 -0.19 0.00 0.02 0.00 0.00 54.13 54.10 3ffz s LEU 895 Cb 0.00 1.71 0.07 0.00 0.02 0.00 0.00 46.19 47.99 3ffz s LEU 895 CO 0.00 -0.31 0.63 -0.94 0.02 0.00 0.00 176.35 175.75 3ffz s SER 896 N 2.73 -0.73 -0.03 2.29 1.04 -1.26 -1.27 113.70 116.47 3ffz s SER 896 Ca 0.12 1.32 -0.30 0.00 0.48 0.00 0.00 55.95 57.57 3ffz s SER 896 Cb -0.12 1.28 0.11 0.00 0.10 0.00 0.00 66.02 67.38 3ffz s SER 896 CO -0.26 -0.22 0.96 -1.83 0.98 0.00 0.00 173.24 172.87 3ffz s GLU 897 N 0.83 0.74 -0.21 4.02 -1.05 0.07 -4.47 118.70 118.64 3ffz s GLU 897 Ca -0.04 -0.29 0.01 0.00 -0.15 0.00 0.00 54.97 54.50 3ffz s GLU 897 Cb -0.05 0.33 0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3ffz s GLU 897 CO -0.07 -0.33 -0.16 0.08 0.95 0.00 0.00 175.26 175.74 3ffz s VAL 898 N -2.99 2.18 -0.25 1.83 1.01 -1.05 0.02 120.40 121.16 3ffz s VAL 898 Ca 0.07 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 3ffz s VAL 898 Cb -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3ffz s VAL 898 CO -0.07 0.31 0.01 0.21 0.00 0.00 0.00 175.10 175.56 3ffz s ASN 899 N 1.23 4.67 -0.18 3.32 3.84 0.11 -0.43 114.94 127.50 3ffz s ASN 899 Ca -0.00 -0.56 -0.07 0.00 0.21 0.00 0.00 52.86 52.43 3ffz s ASN 899 Cb -0.16 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.71 3ffz s ASN 899 CO -0.09 -0.10 0.06 -0.63 -2.79 0.00 0.00 177.10 173.55 3ffz s ILE 900 N 1.47 4.81 -0.46 -5.21 1.01 -0.25 -0.27 121.20 122.30 3ffz s ILE 900 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 3ffz s ILE 900 Cb -0.16 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.23 3ffz s ILE 900 CO -0.01 0.46 0.36 -0.44 0.00 0.00 0.00 174.94 175.32 3ffz s SER 901 N 0.33 6.00 0.26 3.58 0.01 0.04 -0.90 113.70 123.02 3ffz s SER 901 Ca 0.03 -1.43 -0.29 0.00 1.31 0.00 0.00 55.95 55.57 3ffz s SER 901 Cb -0.12 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 3ffz s SER 901 CO 0.00 -0.63 1.29 -1.10 0.41 0.00 0.00 173.24 173.20 3ffz s GLN 902 N 1.57 4.41 0.60 12.44 -0.21 -0.69 -2.68 119.66 135.10 3ffz s GLN 902 Ca 0.04 2.09 -0.19 0.00 0.02 0.00 0.00 55.36 57.32 3ffz s GLN 902 Cb -0.24 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 3ffz s GLN 902 CO 0.05 -0.17 1.22 -1.71 -2.12 0.00 0.00 175.29 172.55 3ffz n ASN 903 N 1.72 1.86 -0.11 5.90 5.15 -1.26 -4.78 115.26 123.73 3ffz n ASN 903 Ca 0.03 0.87 0.00 0.00 -0.60 0.00 0.00 54.58 54.88 3ffz n ASN 903 Cb 0.42 -1.51 0.28 0.00 -0.53 0.00 0.00 39.78 38.44 3ffz n ASN 903 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3ffz h ASP 904 N 0.77 0.70 0.75 1.20 3.32 -1.96 -1.62 116.42 119.57 3ffz h ASP 904 Ca -0.50 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 3ffz h ASP 904 Cb 1.34 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3ffz h ASP 904 CO 0.54 0.59 -0.36 0.22 -1.72 0.00 0.00 179.24 178.51 3ffz h TYR 905 N 0.78 0.00 -0.02 4.55 3.20 -1.98 -3.23 116.97 120.27 3ffz h TYR 905 Ca 0.20 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.82 3ffz h TYR 905 Cb 0.08 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.36 3ffz h TYR 905 CO 0.01 0.36 -0.98 0.82 -1.64 0.00 0.00 178.16 176.73 3ffz h ILE 906 N 0.00 1.32 -2.06 1.81 1.08 -1.66 -3.46 117.51 114.54 3ffz h ILE 906 Ca -0.00 -2.28 -0.62 0.00 -0.39 0.00 0.00 64.86 61.57 3ffz h ILE 906 Cb 0.83 2.35 0.05 0.00 -3.07 0.00 0.00 36.82 36.98 3ffz h ILE 906 CO 0.05 0.70 0.74 -0.38 -0.69 0.00 0.00 178.15 178.57 3ffz n ILE 907 N -3.83 0.07 -2.51 -0.67 5.41 -0.96 -4.94 119.36 111.94 3ffz n ILE 907 Ca -0.09 -0.01 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 3ffz n ILE 907 Cb 0.85 -1.37 -0.04 0.00 -0.71 0.00 0.00 39.64 38.37 3ffz n ILE 907 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3ffz s TYR 908 N 1.23 3.60 0.00 1.39 6.14 -1.26 -4.99 117.35 123.46 3ffz s TYR 908 Ca 0.83 1.64 0.00 0.00 0.64 0.00 0.00 57.07 60.17 3ffz s TYR 908 Cb -0.77 -3.27 0.00 0.00 0.42 0.00 0.00 41.96 38.34 3ffz s TYR 908 CO 0.43 -0.56 0.00 -3.47 0.64 0.00 0.00 175.55 172.59 3ffz n ASP 909 N 1.98 0.00 -0.17 4.32 4.64 -1.23 -2.04 116.55 124.04 3ffz n ASP 909 Ca 0.01 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.44 3ffz n ASP 909 Cb 0.46 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.53 3ffz n ASP 909 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3ffz n ASN 910 N 0.00 -0.63 -0.72 1.67 0.23 -1.23 -4.53 115.26 110.04 3ffz n ASN 910 Ca 0.00 0.05 0.07 0.00 -0.53 0.00 0.00 54.58 54.17 3ffz n ASN 910 Cb 0.00 -0.92 0.15 0.00 -2.08 0.00 0.00 39.78 36.93 3ffz n ASN 910 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3ffz n LYS 911 N -0.97 2.17 -1.08 -3.83 2.85 -1.26 -2.43 118.16 113.61 3ffz n LYS 911 Ca 0.00 -1.89 -0.34 0.00 -1.05 0.00 0.00 58.31 55.02 3ffz n LYS 911 Cb 0.51 -1.32 0.10 0.00 -0.65 0.00 0.00 35.03 33.68 3ffz n LYS 911 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 3ffz n TYR 912 N 0.79 -0.30 -0.22 5.58 9.36 -1.26 -4.94 117.16 126.17 3ffz n TYR 912 Ca 0.12 0.34 -0.20 0.00 3.32 0.00 0.00 57.90 61.48 3ffz n TYR 912 Cb 0.43 -1.94 0.19 0.00 -0.63 0.00 0.00 39.34 37.39 3ffz n TYR 912 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3ffz n LYS 913 N -1.84 -3.72 0.00 2.98 5.02 -1.26 -4.83 118.16 114.51 3ffz n LYS 913 Ca 0.10 -0.95 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 3ffz n LYS 913 Cb 0.51 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3ffz n LYS 913 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ffz n ASN 914 N -4.76 0.00 -3.64 4.39 5.03 -1.24 -4.86 115.26 110.18 3ffz n ASN 914 Ca 0.09 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.48 3ffz n ASN 914 Cb 0.38 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.08 3ffz n ASN 914 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3ffz s PHE 915 N 0.00 -0.25 0.29 3.10 -0.12 -1.05 -3.61 117.98 116.33 3ffz s PHE 915 Ca 0.00 0.59 0.08 0.00 -0.05 0.00 0.00 56.93 57.55 3ffz s PHE 915 Cb 0.00 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.76 3ffz s PHE 915 CO 0.00 -0.14 -0.08 -1.12 -0.05 0.00 0.00 175.22 173.82 3ffz s SER 916 N -0.11 3.04 -0.05 1.98 0.01 0.14 -2.06 113.70 116.65 3ffz s SER 916 Ca 0.05 -1.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 3ffz s SER 916 Cb -0.04 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.01 3ffz s SER 916 CO -0.09 -0.27 0.10 -0.63 0.41 0.00 0.00 173.24 172.76 3ffz s ILE 917 N -2.88 -0.09 0.02 1.44 1.01 -0.61 -0.20 121.20 119.90 3ffz s ILE 917 Ca 0.30 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3ffz s ILE 917 Cb 0.02 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 3ffz s ILE 917 CO 0.13 0.10 -0.03 -0.94 0.00 0.00 0.00 174.94 174.20 3ffz s SER 918 N 1.39 0.24 0.21 3.58 1.04 0.03 -0.73 113.70 119.45 3ffz s SER 918 Ca -0.06 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 55.73 3ffz s SER 918 Cb -0.12 0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.15 3ffz s SER 918 CO -0.05 -0.24 0.98 0.72 0.98 0.00 0.00 173.24 175.62 3ffz s PHE 919 N -1.21 0.01 -0.04 5.02 -0.12 -0.75 0.15 117.98 121.04 3ffz s PHE 919 Ca -0.13 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.37 3ffz s PHE 919 Cb -0.08 0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 43.01 3ffz s PHE 919 CO -0.01 -0.99 -0.18 -1.58 -0.05 0.00 0.00 175.22 172.42 3ffz s TRP 920 N -2.55 1.75 0.12 3.49 0.52 -0.61 0.43 118.94 122.08 3ffz s TRP 920 Ca 0.18 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.88 3ffz s TRP 920 Cb -0.03 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 3ffz s TRP 920 CO 0.05 -0.16 -0.19 0.54 0.02 0.00 0.00 176.95 177.21 3ffz s VAL 921 N 0.01 1.68 -0.19 4.03 0.11 0.12 -1.43 120.40 124.72 3ffz s VAL 921 Ca -0.03 -1.66 -0.03 0.00 -2.93 0.00 0.00 61.98 57.33 3ffz s VAL 921 Cb -0.11 -1.61 0.06 0.00 -1.53 0.00 0.00 36.38 33.18 3ffz s VAL 921 CO 0.02 -0.18 0.03 -0.60 -3.33 0.00 0.00 175.10 171.05 3ffz s ARG 922 N -2.23 0.66 -0.47 1.54 3.52 0.79 0.57 118.95 123.33 3ffz s ARG 922 Ca 0.09 -0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.18 3ffz s ARG 922 Cb -0.08 -2.07 0.11 0.00 -1.56 0.00 0.00 34.95 31.35 3ffz s ARG 922 CO 0.05 -0.63 0.35 0.42 -0.81 0.00 0.00 175.30 174.68 3ffz s ILE 923 N 1.86 4.36 0.37 4.11 -1.09 -1.26 -1.41 121.20 128.14 3ffz s ILE 923 Ca -0.01 -1.68 -0.26 0.00 -2.23 0.00 0.00 60.65 56.48 3ffz s ILE 923 Cb -0.17 -3.83 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 3ffz s ILE 923 CO -0.08 -0.74 1.06 -2.16 -1.23 0.00 0.00 174.94 171.79 3ffz s PRO 924 N 1.41 4.29 -0.11 2.79 0.04 -1.26 -1.95 135.00 140.21 3ffz s PRO 924 Ca 0.05 1.60 0.12 0.00 0.04 0.00 0.00 61.00 62.81 3ffz s PRO 924 Cb -0.26 -2.72 -0.18 0.00 0.04 0.00 0.00 34.50 31.38 3ffz s PRO 924 CO 0.00 -0.05 0.11 0.09 0.04 0.00 0.00 177.00 177.19 3ffz n ASN 925 N 0.28 1.70 0.00 6.66 5.03 -1.20 -4.91 115.26 122.82 3ffz n ASN 925 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 3ffz n ASN 925 Cb 0.48 1.01 0.00 0.00 -1.02 0.00 0.00 39.78 40.25 3ffz n ASN 925 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3ffz n TYR 926 N -2.39 0.00 0.00 3.10 4.02 -0.26 -3.83 117.16 117.80 3ffz n TYR 926 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3ffz n TYR 926 Cb 0.81 -1.20 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 3ffz n TYR 926 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3ffz n ASP 927 N 0.00 0.00 -3.67 7.72 8.00 -1.26 -4.00 116.55 123.33 3ffz n ASP 927 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3ffz n ASP 927 Cb 0.00 -0.46 0.07 0.00 -0.02 0.00 0.00 41.12 40.72 3ffz n ASP 927 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ffz n ASN 928 N 0.00 -2.55 -0.26 -2.24 4.13 -1.25 -4.72 115.26 108.36 3ffz n ASN 928 Ca 0.00 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.06 3ffz n ASN 928 Cb 0.00 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 3ffz n ASN 928 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3ffz n LYS 929 N 0.19 0.91 -0.00 3.52 5.02 -1.26 -3.14 118.16 123.40 3ffz n LYS 929 Ca 0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 3ffz n LYS 929 Cb 0.20 -1.24 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 3ffz n LYS 929 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3ffz n ILE 930 N -0.21 1.47 0.30 -0.18 5.41 -1.26 -4.07 119.36 120.82 3ffz n ILE 930 Ca 0.00 -0.76 0.11 0.00 1.00 0.00 0.00 62.75 63.10 3ffz n ILE 930 Cb 0.12 -0.94 -0.15 0.00 -0.71 0.00 0.00 39.64 37.96 3ffz n ILE 930 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3ffz n VAL 931 N -2.99 0.01 -1.12 1.39 0.31 -1.19 -4.64 118.33 110.10 3ffz n VAL 931 Ca -0.15 -0.35 -0.33 0.00 -0.01 0.00 0.00 64.34 63.51 3ffz n VAL 931 Cb 0.98 0.30 -0.02 0.00 -0.91 0.00 0.00 33.84 34.18 3ffz n VAL 931 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3ffz n ASN 932 N -2.03 7.00 -4.12 4.52 5.15 -1.25 -4.62 115.26 119.90 3ffz n ASN 932 Ca -0.01 -2.50 -0.19 0.00 -0.60 0.00 0.00 54.58 51.28 3ffz n ASN 932 Cb 0.50 -1.39 -0.13 0.00 -0.53 0.00 0.00 39.78 38.23 3ffz n ASN 932 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ffz s VAL 933 N 2.74 1.00 -0.78 3.44 -7.23 -1.26 -5.02 120.40 113.29 3ffz s VAL 933 Ca 0.58 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.61 3ffz s VAL 933 Cb 0.15 -0.92 0.18 0.00 0.56 0.00 0.00 36.38 36.35 3ffz s VAL 933 CO -0.05 -0.05 0.79 0.21 -0.31 0.00 0.00 175.10 175.69 3ffz s ASN 934 N -1.16 6.61 -0.21 4.85 3.84 -1.26 -3.92 114.94 123.69 3ffz s ASN 934 Ca 0.00 -2.34 -0.10 0.00 0.21 0.00 0.00 52.86 50.63 3ffz s ASN 934 Cb -0.08 -2.25 0.08 0.00 -0.55 0.00 0.00 41.25 38.45 3ffz s ASN 934 CO 0.01 -0.75 0.49 0.21 -2.79 0.00 0.00 177.10 174.27 3ffz s ASN 935 N 2.74 -0.59 -0.40 -4.21 2.47 -1.26 -5.06 114.94 108.64 3ffz s ASN 935 Ca 0.18 1.09 -0.21 0.00 0.42 0.00 0.00 52.86 54.34 3ffz s ASN 935 Cb -0.13 1.14 0.01 0.00 -1.45 0.00 0.00 41.25 40.82 3ffz s ASN 935 CO -0.06 -0.21 0.65 -0.70 -3.72 0.00 0.00 177.10 173.06 3ffz s GLU 936 N 1.85 3.47 0.22 0.43 2.12 -1.26 -4.39 118.70 121.13 3ffz s GLU 936 Ca -0.08 -0.16 0.10 0.00 0.36 0.00 0.00 54.97 55.19 3ffz s GLU 936 Cb -0.09 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 3ffz s GLU 936 CO -0.15 -0.90 -0.09 1.52 -0.54 0.00 0.00 175.26 175.11 3ffz s TYR 937 N 2.81 2.59 0.03 5.30 -0.85 0.91 -4.91 117.35 123.23 3ffz s TYR 937 Ca 0.24 -0.24 -0.06 0.00 -0.52 0.00 0.00 57.07 56.49 3ffz s TYR 937 Cb -0.14 -1.22 -0.05 0.00 0.38 0.00 0.00 41.96 40.93 3ffz s TYR 937 CO 0.17 0.56 0.27 -0.08 -1.52 0.00 0.00 175.55 174.96 3ffz s THR 938 N -1.96 5.30 0.00 -3.49 -1.32 -0.83 0.89 115.64 114.24 3ffz s THR 938 Ca 0.27 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 3ffz s THR 938 Cb -0.08 -3.58 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 3ffz s THR 938 CO 0.16 0.31 0.00 2.30 -2.21 0.00 0.00 174.62 175.18 3ffz n ILE 939 N 0.91 0.00 -3.97 5.08 -5.35 -0.60 -1.14 119.36 114.29 3ffz n ILE 939 Ca -0.10 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.09 3ffz n ILE 939 Cb 0.52 -0.64 -0.16 0.00 -1.74 0.00 0.00 39.64 37.62 3ffz n ILE 939 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ffz s ILE 940 N -1.97 1.42 -0.15 7.28 1.01 -0.63 -1.88 121.20 126.28 3ffz s ILE 940 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3ffz s ILE 940 Cb 0.00 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3ffz s ILE 940 CO 0.00 0.34 -0.10 0.21 0.00 0.00 0.00 174.94 175.39 3ffz s ASN 941 N 1.53 4.18 -0.39 3.58 3.04 0.10 -0.32 114.94 126.66 3ffz s ASN 941 Ca 0.03 -0.31 0.11 0.00 0.04 0.00 0.00 52.86 52.72 3ffz s ASN 941 Cb -0.14 -1.66 0.34 0.00 -1.54 0.00 0.00 41.25 38.25 3ffz s ASN 941 CO -0.09 0.12 0.79 0.00 -3.04 0.00 0.00 177.10 174.88 3ffz s MET 943 N -1.90 0.42 0.27 0.00 -1.94 -1.24 -1.34 119.30 113.57 3ffz s MET 943 Ca 0.37 -0.09 0.10 0.00 -1.71 0.00 0.00 55.69 54.36 3ffz s MET 943 Cb 0.33 0.18 -0.05 0.00 2.01 0.00 0.00 34.83 37.30 3ffz s MET 943 CO -0.08 -0.09 -0.16 1.03 -0.01 0.00 0.00 175.02 175.71 3ffz s ARG 944 N -0.77 1.61 0.00 2.03 1.81 -1.18 -4.78 118.95 117.67 3ffz s ARG 944 Ca -0.09 -1.75 0.00 0.00 -1.72 0.00 0.00 55.73 52.17 3ffz s ARG 944 Cb -0.05 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.89 3ffz s ARG 944 CO 0.01 0.25 0.00 -0.25 -0.68 0.00 0.00 175.30 174.63 3ffz n ASP 945 N -0.59 0.00 -0.14 0.23 8.00 -1.26 0.13 116.55 122.92 3ffz n ASP 945 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3ffz n ASP 945 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3ffz n ASP 945 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ffz n ASN 946 N 0.00 0.23 -2.37 -2.24 3.02 -1.26 -4.80 115.26 107.84 3ffz n ASN 946 Ca 0.00 -1.65 -0.17 0.00 -0.03 0.00 0.00 54.58 52.73 3ffz n ASN 946 Cb 0.00 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 3ffz n ASN 946 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ffz n ASN 947 N -0.34 -4.96 -4.70 6.41 5.03 0.34 -4.92 115.26 112.12 3ffz n ASN 947 Ca 0.00 0.10 -0.42 0.00 0.87 0.00 0.00 54.58 55.13 3ffz n ASN 947 Cb 0.06 -4.18 -0.03 0.00 -1.02 0.00 0.00 39.78 34.61 3ffz n ASN 947 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ffz s SER 948 N -2.06 7.14 0.00 6.41 0.15 -1.15 -4.66 113.70 119.53 3ffz s SER 948 Ca 0.00 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.47 3ffz s SER 948 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3ffz s SER 948 CO 0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3ffz n GLY 949 N 3.20 0.34 3.23 9.45 0.00 0.31 -3.12 105.19 118.60 3ffz n GLY 949 Ca 0.09 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3ffz n GLY 949 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ffz s TRP 950 N -1.06 1.14 0.02 1.61 1.48 -0.45 0.36 118.94 122.04 3ffz s TRP 950 Ca 0.00 -0.89 -0.26 0.00 -1.06 0.00 0.00 56.10 53.89 3ffz s TRP 950 Cb 0.00 -0.63 0.06 0.00 -1.16 0.00 0.00 33.47 31.74 3ffz s TRP 950 CO 0.00 -0.08 0.58 -1.59 -4.06 0.00 0.00 176.95 171.80 3ffz s LYS 951 N -3.83 1.05 -0.18 3.25 -2.85 -0.65 -1.11 119.74 115.43 3ffz s LYS 951 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 55.97 55.09 3ffz s LYS 951 Cb 0.05 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 3ffz s LYS 951 CO 0.00 -0.36 -0.13 0.08 0.10 0.00 0.00 175.35 175.04 3ffz s VAL 952 N -1.99 2.78 0.25 1.79 1.01 0.56 -1.81 120.40 122.99 3ffz s VAL 952 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3ffz s VAL 952 Cb -0.01 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3ffz s VAL 952 CO 0.02 0.49 -0.03 -0.94 0.00 0.00 0.00 175.10 174.65 3ffz s SER 953 N 1.09 2.23 0.11 3.32 1.04 0.47 -1.55 113.70 120.41 3ffz s SER 953 Ca 0.00 -1.20 0.05 0.00 0.48 0.00 0.00 55.95 55.27 3ffz s SER 953 Cb -0.14 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 3ffz s SER 953 CO -0.04 -0.44 -0.12 -0.76 0.98 0.00 0.00 173.24 172.87 3ffz s LEU 954 N -3.36 2.41 0.30 2.42 1.43 0.26 0.84 118.68 122.97 3ffz s LEU 954 Ca 0.29 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3ffz s LEU 954 Cb 0.05 -0.41 -0.03 0.00 0.03 0.00 0.00 46.19 45.83 3ffz s LEU 954 CO 0.10 -0.22 0.24 0.21 0.23 0.00 0.00 176.35 176.91 3ffz s ASN 955 N -2.47 1.36 -0.32 2.29 3.84 -0.70 -0.06 114.94 118.87 3ffz s ASN 955 Ca 0.07 -1.67 -0.39 0.00 0.21 0.00 0.00 52.86 51.08 3ffz s ASN 955 Cb -0.04 0.51 -0.14 0.00 -0.55 0.00 0.00 41.25 41.03 3ffz s ASN 955 CO 0.01 -1.01 1.93 1.57 -2.79 0.00 0.00 177.10 176.82 3ffz n HIS 956 N -0.55 1.85 -3.86 0.43 -0.00 -1.25 -0.92 115.22 110.92 3ffz n HIS 956 Ca 0.06 0.45 -0.30 0.00 -0.00 0.00 0.00 57.72 57.93 3ffz n HIS 956 Cb 0.63 -2.48 -0.00 0.00 -0.00 0.00 0.00 29.99 28.14 3ffz n HIS 956 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3ffz n ASN 957 N 7.06 -4.01 -3.76 0.26 5.03 -1.26 -4.87 115.26 113.71 3ffz n ASN 957 Ca 0.34 -0.74 -0.13 0.00 0.87 0.00 0.00 54.58 54.91 3ffz n ASN 957 Cb 0.15 -3.26 -0.11 0.00 -1.02 0.00 0.00 39.78 35.55 3ffz n ASN 957 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3ffz s GLU 958 N -6.55 0.40 -0.14 3.52 2.12 -0.09 -1.65 118.70 116.31 3ffz s GLU 958 Ca 0.62 0.42 -0.04 0.00 0.36 0.00 0.00 54.97 56.32 3ffz s GLU 958 Cb -0.33 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.23 3ffz s GLU 958 CO 0.76 -0.05 0.02 0.42 -0.54 0.00 0.00 175.26 175.86 3ffz s ILE 959 N 0.08 4.40 -0.06 -3.70 1.01 0.06 -1.72 121.20 121.26 3ffz s ILE 959 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3ffz s ILE 959 Cb -0.02 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3ffz s ILE 959 CO 0.01 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 174.75 3ffz s ILE 960 N -0.14 0.96 -0.17 2.92 1.09 0.25 -1.08 121.20 125.02 3ffz s ILE 960 Ca 0.05 -0.36 -0.05 0.00 -1.10 0.00 0.00 60.65 59.19 3ffz s ILE 960 Cb -0.12 -0.91 -0.03 0.00 -1.06 0.00 0.00 42.46 40.34 3ffz s ILE 960 CO 0.02 0.32 -0.00 0.86 -0.10 0.00 0.00 174.94 176.04 3ffz s TRP 961 N 0.86 3.08 -0.09 3.97 -0.11 0.12 -0.39 118.94 126.38 3ffz s TRP 961 Ca -0.11 -0.26 0.00 0.00 1.22 0.00 0.00 56.10 56.95 3ffz s TRP 961 Cb -0.15 -2.02 0.02 0.00 -1.50 0.00 0.00 33.47 29.82 3ffz s TRP 961 CO 0.01 -0.06 -0.07 -0.08 -4.62 0.00 0.00 176.95 172.13 3ffz s THR 962 N 0.56 0.91 -0.20 5.86 -1.32 -0.75 -0.59 115.64 120.11 3ffz s THR 962 Ca -0.01 -0.26 -0.02 0.00 -1.21 0.00 0.00 61.69 60.19 3ffz s THR 962 Cb -0.14 -0.91 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 3ffz s THR 962 CO 0.02 0.33 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.45 3ffz s LEU 963 N 1.36 2.68 -0.07 9.08 2.96 -0.04 -1.64 118.68 133.01 3ffz s LEU 963 Ca -0.02 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3ffz s LEU 963 Cb -0.14 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3ffz s LEU 963 CO -0.04 0.01 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.32 3ffz s GLN 964 N 1.26 1.59 0.75 1.98 0.74 0.16 0.12 119.66 126.26 3ffz s GLN 964 Ca 0.03 -0.35 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 3ffz s GLN 964 Cb -0.14 -1.39 0.12 0.00 1.10 0.00 0.00 33.01 32.70 3ffz s GLN 964 CO -0.04 -0.04 1.05 0.16 -0.55 0.00 0.00 175.29 175.86 3ffz s ASP 965 N 0.90 4.26 0.37 6.67 1.47 -0.36 0.12 116.67 130.09 3ffz s ASP 965 Ca -0.10 -0.03 0.08 0.00 1.18 0.00 0.00 52.55 53.68 3ffz s ASP 965 Cb -0.15 -0.38 0.81 0.00 -0.34 0.00 0.00 42.92 42.86 3ffz s ASP 965 CO 0.01 -1.93 1.92 0.78 0.68 0.00 0.00 175.17 176.63 3ffz h ASN 966 N -0.73 0.62 0.68 2.11 4.21 -1.21 -2.98 115.58 118.28 3ffz h ASN 966 Ca -0.40 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.09 3ffz h ASN 966 Cb 1.27 -0.11 0.01 0.00 -1.12 0.00 0.00 38.32 38.37 3ffz h ASN 966 CO 0.45 0.36 -0.32 0.00 -1.29 0.00 0.00 177.43 176.63 3ffz h ALA 967 N 1.61 -1.16 0.00 -0.83 0.00 -1.95 -3.48 119.26 113.46 3ffz h ALA 967 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ffz h ALA 967 Cb 0.50 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ffz h ALA 967 CO -0.14 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.43 3ffz n GLY 968 N -1.19 0.15 3.70 0.00 0.00 -1.12 -5.13 105.19 101.60 3ffz n GLY 968 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3ffz n GLY 968 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ffz n ILE 969 N 0.00 1.48 -4.32 -0.61 5.41 -1.26 -4.72 119.36 115.33 3ffz n ILE 969 Ca 0.00 -0.37 -0.20 0.00 1.00 0.00 0.00 62.75 63.18 3ffz n ILE 969 Cb 0.00 -1.65 -0.07 0.00 -0.71 0.00 0.00 39.64 37.21 3ffz n ILE 969 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3ffz n ASN 970 N 1.45 -0.19 -3.68 4.38 0.23 -1.26 -1.23 115.26 114.96 3ffz n ASN 970 Ca 0.07 -3.08 -0.14 0.00 -0.53 0.00 0.00 54.58 50.90 3ffz n ASN 970 Cb 0.35 1.44 -0.08 0.00 -2.08 0.00 0.00 39.78 39.40 3ffz n ASN 970 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 3ffz s GLN 971 N -3.34 0.69 0.12 -3.83 2.00 0.12 -4.96 119.66 110.46 3ffz s GLN 971 Ca 0.33 0.39 0.07 0.00 -2.00 0.00 0.00 55.36 54.15 3ffz s GLN 971 Cb 0.02 0.33 -0.04 0.00 0.80 0.00 0.00 33.01 34.12 3ffz s GLN 971 CO 0.24 -0.15 -0.17 0.15 -0.50 0.00 0.00 175.29 174.86 3ffz s LYS 972 N -0.41 1.09 -0.05 1.67 1.02 -1.26 -0.86 119.74 120.94 3ffz s LYS 972 Ca -0.05 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 54.69 3ffz s LYS 972 Cb -0.03 -1.16 0.03 0.00 -0.52 0.00 0.00 37.83 36.15 3ffz s LYS 972 CO 0.03 0.25 0.10 -0.51 -0.92 0.00 0.00 175.35 174.30 3ffz s LEU 973 N -2.24 1.04 0.12 3.17 1.02 0.24 -4.89 118.68 117.14 3ffz s LEU 973 Ca 0.08 0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.47 3ffz s LEU 973 Cb -0.07 0.24 -0.04 0.00 0.02 0.00 0.00 46.19 46.33 3ffz s LEU 973 CO 0.04 -0.12 -0.09 0.00 0.02 0.00 0.00 176.35 176.21 3ffz s ALA 974 N 0.88 1.23 -0.09 4.21 0.00 -1.26 0.16 121.76 126.89 3ffz s ALA 974 Ca -0.07 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 3ffz s ALA 974 Cb -0.09 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.15 3ffz s ALA 974 CO -0.04 -0.14 0.04 0.12 0.00 0.00 0.00 175.76 175.74 3ffz s PHE 975 N -3.33 0.47 -0.23 0.00 5.36 -0.24 -4.79 117.98 115.23 3ffz s PHE 975 Ca 0.13 -0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3ffz s PHE 975 Cb 0.03 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.97 3ffz s PHE 975 CO -0.01 -0.35 -0.01 1.21 -1.46 0.00 0.00 175.22 174.60 3ffz s ASN 976 N 2.04 4.57 0.00 6.13 3.84 -1.26 -0.76 114.94 129.49 3ffz s ASN 976 Ca 0.04 -0.33 0.18 0.00 0.21 0.00 0.00 52.86 52.96 3ffz s ASN 976 Cb -0.13 -1.80 0.13 0.00 -0.55 0.00 0.00 41.25 38.90 3ffz s ASN 976 CO -0.05 -0.02 1.06 0.00 -2.79 0.00 0.00 177.10 175.30 3ffz n TYR 977 N 4.81 0.00 -4.16 0.43 0.18 -0.66 -5.02 117.16 112.73 3ffz n TYR 977 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3ffz n TYR 977 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 3ffz n TYR 977 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ffz n GLY 978 N 1.03 -0.14 0.09 -7.48 0.00 -1.22 -4.25 105.19 93.21 3ffz n GLY 978 Ca 0.10 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.38 3ffz n GLY 978 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ffz n ASN 979 N -3.17 1.09 -1.37 1.61 0.23 -1.26 -4.84 115.26 107.55 3ffz n ASN 979 Ca 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3ffz n ASN 979 Cb 0.00 0.90 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 3ffz n ASN 979 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ffz n ALA 980 N -1.18 -1.46 -2.83 -2.53 0.00 -1.26 -4.86 120.51 106.39 3ffz n ALA 980 Ca 0.04 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 3ffz n ALA 980 Cb 0.32 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 3ffz n ALA 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ffz s ASN 981 N -3.12 6.45 0.13 0.00 2.20 -1.26 -4.12 114.94 115.22 3ffz s ASN 981 Ca 0.00 0.53 0.00 0.00 -0.94 0.00 0.00 52.86 52.45 3ffz s ASN 981 Cb 0.00 -2.09 0.00 0.00 -2.00 0.00 0.00 41.25 37.16 3ffz s ASN 981 CO 0.00 0.40 0.00 0.61 -2.94 0.00 0.00 177.10 175.17 3ffz n GLY 982 N 1.95 1.00 3.31 0.45 0.00 0.22 -4.83 105.19 107.28 3ffz n GLY 982 Ca -0.19 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 3ffz n GLY 982 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ffz s ILE 983 N 0.00 2.42 0.04 -0.61 -4.36 -1.26 -0.20 121.20 117.23 3ffz s ILE 983 Ca 0.00 -0.92 -0.19 0.00 -0.26 0.00 0.00 60.65 59.28 3ffz s ILE 983 Cb 0.00 -1.93 -0.06 0.00 1.25 0.00 0.00 42.46 41.72 3ffz s ILE 983 CO 0.00 0.56 0.54 -0.55 0.24 0.00 0.00 174.94 175.73 3ffz s SER 984 N -0.05 6.99 0.00 4.36 0.15 -1.26 -4.98 113.70 118.90 3ffz s SER 984 Ca -0.06 1.17 0.23 0.00 0.70 0.00 0.00 55.95 58.00 3ffz s SER 984 Cb -0.14 -2.34 0.84 0.00 -1.71 0.00 0.00 66.02 62.66 3ffz s SER 984 CO 0.05 0.24 1.61 0.47 1.20 0.00 0.00 173.24 176.80 3ffz n ASP 985 N 2.00 1.68 0.01 5.45 8.00 -1.26 -4.54 116.55 127.90 3ffz n ASP 985 Ca -0.10 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3ffz n ASP 985 Cb 0.51 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3ffz n ASP 985 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ffz n TYR 986 N 0.32 -0.03 -1.70 1.24 4.01 -1.26 -4.88 117.16 114.86 3ffz n TYR 986 Ca 0.17 0.01 -0.55 0.00 -0.16 0.00 0.00 57.90 57.37 3ffz n TYR 986 Cb 0.35 0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 3ffz n TYR 986 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3ffz n ILE 987 N -3.10 0.36 -1.34 -0.72 5.41 -1.26 -1.11 119.36 117.59 3ffz n ILE 987 Ca 0.00 -0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 3ffz n ILE 987 Cb 0.36 -1.37 -0.05 0.00 -0.71 0.00 0.00 39.64 37.87 3ffz n ILE 987 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3ffz n ASN 988 N 5.52 -5.46 -4.67 4.38 5.15 -0.82 -4.97 115.26 114.38 3ffz n ASN 988 Ca 0.25 0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 54.28 3ffz n ASN 988 Cb 0.18 -4.00 -0.07 0.00 -0.53 0.00 0.00 39.78 35.36 3ffz n ASN 988 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ffz s LYS 989 N -2.93 2.40 0.06 1.20 1.02 -0.27 -4.84 119.74 116.38 3ffz s LYS 989 Ca 0.00 -1.26 -0.31 0.00 0.02 0.00 0.00 55.97 54.42 3ffz s LYS 989 Cb 0.00 -2.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 3ffz s LYS 989 CO 0.00 0.40 1.36 -1.58 -0.92 0.00 0.00 175.35 174.61 3ffz s TRP 990 N -2.08 3.14 -0.12 3.18 0.52 -0.51 -4.37 118.94 118.71 3ffz s TRP 990 Ca 0.30 0.97 0.02 0.00 0.02 0.00 0.00 56.10 57.41 3ffz s TRP 990 Cb -0.08 -3.63 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 3ffz s TRP 990 CO 0.20 -2.21 -0.18 0.42 0.02 0.00 0.00 176.95 175.20 3ffz s ILE 991 N 1.56 2.55 -0.22 2.03 1.01 0.19 -4.92 121.20 123.41 3ffz s ILE 991 Ca 0.63 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 3ffz s ILE 991 Cb -0.34 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3ffz s ILE 991 CO 0.29 0.54 0.68 0.12 0.00 0.00 0.00 174.94 176.56 3ffz s PHE 992 N 0.37 3.34 -0.05 3.97 5.36 -1.26 0.11 117.98 129.82 3ffz s PHE 992 Ca -0.15 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 3ffz s PHE 992 Cb -0.17 -2.86 -0.03 0.00 -0.34 0.00 0.00 43.02 39.62 3ffz s PHE 992 CO 0.07 -0.25 -0.05 0.08 -1.46 0.00 0.00 175.22 173.60 3ffz s VAL 993 N 2.23 3.82 -0.14 3.12 1.01 0.17 -0.78 120.40 129.84 3ffz s VAL 993 Ca 0.30 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3ffz s VAL 993 Cb -0.16 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.68 3ffz s VAL 993 CO 0.10 0.54 0.30 -0.89 0.00 0.00 0.00 175.10 175.14 3ffz s THR 994 N -0.89 -0.27 -0.23 3.92 2.01 -0.64 -1.81 115.64 117.73 3ffz s THR 994 Ca 0.14 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.36 3ffz s THR 994 Cb -0.11 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 71.97 3ffz s THR 994 CO 0.04 0.08 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.28 3ffz s ILE 995 N 1.94 2.11 0.13 1.82 1.01 0.09 0.93 121.20 129.24 3ffz s ILE 995 Ca -0.04 -1.41 -0.03 0.00 0.00 0.00 0.00 60.65 59.17 3ffz s ILE 995 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3ffz s ILE 995 CO -0.10 0.14 0.34 0.28 0.00 0.00 0.00 174.94 175.60 3ffz s THR 996 N 1.17 5.22 -0.27 2.92 -1.32 -0.15 -1.57 115.64 121.64 3ffz s THR 996 Ca -0.05 -0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 3ffz s THR 996 Cb -0.18 -3.64 0.10 0.00 -1.51 0.00 0.00 72.50 67.28 3ffz s THR 996 CO -0.07 0.04 0.17 0.20 -2.21 0.00 0.00 174.62 172.74 3ffz s ASN 997 N -2.53 2.77 -0.45 8.08 -0.87 -0.88 -1.69 114.94 119.38 3ffz s ASN 997 Ca 0.39 -0.99 -0.16 0.00 -1.57 0.00 0.00 52.86 50.54 3ffz s ASN 997 Cb -0.12 -0.08 0.04 0.00 -0.02 0.00 0.00 41.25 41.07 3ffz s ASN 997 CO 0.26 -0.41 0.40 -0.62 -2.57 0.00 0.00 177.10 174.16 3ffz s ASP 998 N 2.18 6.15 0.30 -1.22 2.15 -1.14 -2.54 116.67 122.55 3ffz s ASP 998 Ca 0.08 -1.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.05 3ffz s ASP 998 Cb -0.15 -2.19 0.51 0.00 -0.30 0.00 0.00 42.92 40.78 3ffz s ASP 998 CO -0.30 -0.59 1.92 0.03 -0.17 0.00 0.00 175.17 176.06 3ffz h ARG 999 N 8.73 1.03 -0.01 4.34 2.47 -1.88 0.03 114.38 129.09 3ffz h ARG 999 Ca -0.27 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 3ffz h ARG 999 Cb 1.11 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3ffz h ARG 999 CO 0.82 0.68 -0.09 1.28 0.56 0.00 0.00 179.97 183.22 3ffz n LEU 1000N -4.47 0.91 0.00 3.04 4.32 -1.26 -4.16 117.00 115.37 3ffz n LEU 1000Ca 0.13 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 3ffz n LEU 1000Cb 0.16 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3ffz n LEU 1000CO 0.34 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 3ffz n GLY 1001N 1.21 2.62 3.38 -0.72 0.00 -0.02 -4.93 105.19 106.73 3ffz n GLY 1001Ca 0.17 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3ffz n GLY 1001CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ffz s ASP 1002N 1.00 2.19 0.01 1.61 3.84 -1.13 -3.02 116.67 121.17 3ffz s ASP 1002Ca 0.00 -1.23 -0.18 0.00 -0.00 0.00 0.00 52.55 51.13 3ffz s ASP 1002Cb 0.00 -0.06 -0.06 0.00 -1.38 0.00 0.00 42.92 41.43 3ffz s ASP 1002CO 0.00 -0.48 0.52 -0.55 -0.00 0.00 0.00 175.17 174.67 3ffz s SER 1003N -3.37 6.93 -0.10 2.11 0.15 0.24 -2.91 113.70 116.76 3ffz s SER 1003Ca 0.30 1.11 0.03 0.00 0.70 0.00 0.00 55.95 58.08 3ffz s SER 1003Cb 0.06 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 3ffz s SER 1003CO 0.11 0.21 -0.17 -0.54 1.20 0.00 0.00 173.24 174.04 3ffz s LYS 1004N -0.65 2.37 -0.32 5.44 1.02 -0.68 -1.70 119.74 125.23 3ffz s LYS 1004Ca 0.28 -0.63 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 3ffz s LYS 1004Cb -0.18 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3ffz s LYS 1004CO 0.16 0.03 0.15 -1.17 -0.92 0.00 0.00 175.35 173.60 3ffz s LEU 1005N 0.71 4.19 0.02 3.17 1.98 -0.20 -0.98 118.68 127.58 3ffz s LEU 1005Ca -0.12 -0.63 0.01 0.00 -2.89 0.00 0.00 54.13 50.49 3ffz s LEU 1005Cb -0.16 -1.99 -0.04 0.00 0.66 0.00 0.00 46.19 44.66 3ffz s LEU 1005CO 0.03 -0.23 0.09 -0.31 -1.89 0.00 0.00 176.35 174.04 3ffz s TYR 1006N 1.59 3.28 -0.09 5.38 1.51 0.27 -2.75 117.35 126.53 3ffz s TYR 1006Ca 0.04 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 3ffz s TYR 1006Cb -0.17 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3ffz s TYR 1006CO 0.06 0.55 -0.07 0.42 -1.11 0.00 0.00 175.55 175.40 3ffz s ILE 1007N -1.27 0.86 -1.58 2.71 -1.09 -0.32 -1.61 121.20 118.89 3ffz s ILE 1007Ca 0.26 -0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 3ffz s ILE 1007Cb -0.12 -0.88 0.10 0.00 -1.58 0.00 0.00 42.46 39.98 3ffz s ILE 1007CO 0.17 0.33 0.83 0.59 -1.23 0.00 0.00 174.94 175.62 3ffz n ASN 1008N 4.67 -3.49 -0.56 3.58 3.02 0.04 -0.76 115.26 121.76 3ffz n ASN 1008Ca -0.15 -0.90 -0.07 0.00 -0.03 0.00 0.00 54.58 53.42 3ffz n ASN 1008Cb 0.50 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.31 3ffz n ASN 1008CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ffz n GLY 1009N -1.60 0.93 3.00 7.41 0.00 -1.26 -5.02 105.19 108.65 3ffz n GLY 1009Ca -0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 3ffz n GLY 1009CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ffz s ASN 1010N -2.92 2.23 -0.05 1.61 0.01 0.06 -4.85 114.94 111.03 3ffz s ASN 1010Ca 0.00 -0.37 -0.30 0.00 -0.71 0.00 0.00 52.86 51.49 3ffz s ASN 1010Cb 0.00 -0.96 -0.06 0.00 0.41 0.00 0.00 41.25 40.64 3ffz s ASN 1010CO 0.00 -0.03 1.66 -0.22 -1.51 0.00 0.00 177.10 177.00 3ffz s LEU 1011N 1.19 4.32 0.00 0.60 2.96 -1.26 -1.18 118.68 125.31 3ffz s LEU 1011Ca -0.04 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3ffz s LEU 1011Cb -0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3ffz s LEU 1011CO -0.03 -0.93 0.08 0.00 -1.32 0.00 0.00 176.35 174.15 3ffz n ILE 1012N 5.47 0.00 -3.65 6.68 0.13 -1.11 -4.98 119.36 121.90 3ffz n ILE 1012Ca 0.17 -0.23 -0.05 0.00 -1.10 0.00 0.00 62.75 61.54 3ffz n ILE 1012Cb 0.43 1.18 -0.06 0.00 -0.84 0.00 0.00 39.64 40.35 3ffz n ILE 1012CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3ffz s ASP 1013N -0.31 -0.99 -0.04 9.51 -1.08 -1.23 -5.06 116.67 117.48 3ffz s ASP 1013Ca 0.00 1.50 -0.03 0.00 -0.52 0.00 0.00 52.55 53.50 3ffz s ASP 1013Cb 0.00 1.72 0.01 0.00 -1.46 0.00 0.00 42.92 43.19 3ffz s ASP 1013CO 0.00 -0.23 0.10 0.00 0.52 0.00 0.00 175.17 175.56 3ffz s GLN 1014N 2.15 0.11 0.02 4.34 -2.07 -1.26 -1.04 119.66 121.91 3ffz s GLN 1014Ca -0.08 0.16 -0.06 0.00 -1.82 0.00 0.00 55.36 53.56 3ffz s GLN 1014Cb -0.08 0.03 -0.00 0.00 -1.09 0.00 0.00 33.01 31.87 3ffz s GLN 1014CO -0.19 -0.03 0.11 0.15 -1.32 0.00 0.00 175.29 174.01 3ffz s LYS 1015N 0.17 0.52 0.54 9.60 1.02 -0.69 -4.99 119.74 125.91 3ffz s LYS 1015Ca -0.01 -0.55 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 3ffz s LYS 1015Cb -0.02 0.21 -0.06 0.00 -0.52 0.00 0.00 37.83 37.44 3ffz s LYS 1015CO -0.00 -0.13 1.06 0.45 -0.92 0.00 0.00 175.35 175.81 3ffz s SER 1016N -1.69 6.02 -0.02 2.83 0.15 -1.26 0.83 113.70 120.56 3ffz s SER 1016Ca -0.11 1.90 0.03 0.00 0.70 0.00 0.00 55.95 58.47 3ffz s SER 1016Cb -0.05 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3ffz s SER 1016CO -0.01 -1.00 0.84 2.30 1.20 0.00 0.00 173.24 176.57 3ffz n ILE 1017N -1.49 0.62 -0.33 6.45 -5.35 -1.17 -4.72 119.36 113.38 3ffz n ILE 1017Ca 0.09 -0.67 0.08 0.00 -0.27 0.00 0.00 62.75 61.98 3ffz n ILE 1017Cb 0.52 0.57 0.24 0.00 -1.74 0.00 0.00 39.64 39.24 3ffz n ILE 1017CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3ffz h LEU 1018N 0.00 0.73 -1.31 7.28 3.38 -1.72 0.11 115.31 123.78 3ffz h LEU 1018Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ffz h LEU 1018Cb 0.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ffz h LEU 1018CO 0.00 0.34 0.00 -0.55 0.09 0.00 0.00 178.44 178.32 3ffz h ASN 1019N 0.80 0.00 -2.95 -0.43 -0.00 -1.91 -3.42 115.58 107.66 3ffz h ASN 1019Ca 0.49 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 56.23 3ffz h ASN 1019Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.91 3ffz h ASN 1019CO -0.32 0.00 0.83 -0.76 -0.00 0.00 0.00 177.43 177.18 3ffz s LEU 1020N -4.81 4.25 0.00 6.14 1.02 0.38 -4.98 118.68 120.69 3ffz s LEU 1020Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 54.13 56.00 3ffz s LEU 1020Cb 0.08 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.74 3ffz s LEU 1020CO 0.32 -0.70 0.00 0.61 0.02 0.00 0.00 176.35 176.60 3ffz n GLY 1021N 3.57 -0.14 3.62 -3.19 0.00 -1.26 -4.94 105.19 102.85 3ffz n GLY 1021Ca 0.13 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3ffz n GLY 1021CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ffz s ASN 1022N -1.48 5.59 -0.11 1.61 2.47 -1.26 -4.47 114.94 117.29 3ffz s ASN 1022Ca 0.00 0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.33 3ffz s ASN 1022Cb 0.00 -1.96 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 3ffz s ASN 1022CO 0.00 0.16 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.85 3ffz s ILE 1023N 0.43 3.68 -0.36 -5.21 1.01 -1.02 -0.67 121.20 119.06 3ffz s ILE 1023Ca 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3ffz s ILE 1023Cb -0.13 -2.55 0.11 0.00 0.01 0.00 0.00 42.46 39.91 3ffz s ILE 1023CO 0.00 0.55 0.14 -2.28 0.00 0.00 0.00 174.94 173.36 3ffz s HIS 1024N -0.25 2.14 1.02 3.97 2.46 -1.26 -3.50 115.29 119.87 3ffz s HIS 1024Ca 0.03 -2.19 -0.12 0.00 0.47 0.00 0.00 55.06 53.25 3ffz s HIS 1024Cb -0.13 -1.98 0.20 0.00 -0.13 0.00 0.00 32.58 30.54 3ffz s HIS 1024CO 0.03 -0.85 1.08 0.14 -2.47 0.00 0.00 174.74 172.66 3ffz s VAL 1025N 1.03 2.23 0.54 0.89 -7.23 -0.87 -4.03 120.40 112.96 3ffz s VAL 1025Ca 0.13 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.27 3ffz s VAL 1025Cb -0.20 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 3ffz s VAL 1025CO -0.13 -0.10 0.93 -0.94 -0.31 0.00 0.00 175.10 174.55 3ffz s SER 1026N -2.92 6.36 0.43 4.85 1.04 -1.23 -4.80 113.70 117.42 3ffz s SER 1026Ca 0.66 1.30 0.10 0.00 0.48 0.00 0.00 55.95 58.49 3ffz s SER 1026Cb -0.22 -2.41 0.96 0.00 0.10 0.00 0.00 66.02 64.46 3ffz s SER 1026CO 0.60 -0.68 2.07 0.44 0.98 0.00 0.00 173.24 176.65 3ffz h ASP 1027N 0.28 0.37 -2.13 7.02 5.19 -1.95 -3.44 116.42 121.75 3ffz h ASP 1027Ca -0.46 -0.01 -0.55 0.00 -0.62 0.00 0.00 57.03 55.40 3ffz h ASP 1027Cb 1.19 -0.09 -0.09 0.00 0.18 0.00 0.00 39.33 40.53 3ffz h ASP 1027CO 0.62 0.26 -0.61 0.20 -3.12 0.00 0.00 179.24 176.59 3ffz s ASN 1028N -6.70 4.66 -0.18 6.45 -0.87 -1.26 -1.70 114.94 115.35 3ffz s ASN 1028Ca -0.08 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.58 3ffz s ASN 1028Cb 0.18 -0.87 0.04 0.00 -0.02 0.00 0.00 41.25 40.57 3ffz s ASN 1028CO 0.72 -0.07 -0.09 -0.63 -2.57 0.00 0.00 177.10 174.46 3ffz s ILE 1029N -2.33 1.43 -0.18 0.60 1.01 -0.07 -4.57 121.20 117.10 3ffz s ILE 1029Ca 0.33 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3ffz s ILE 1029Cb -0.06 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3ffz s ILE 1029CO 0.21 0.21 0.10 -0.22 0.00 0.00 0.00 174.94 175.25 3ffz s LEU 1030N 1.50 4.08 -0.70 2.97 0.20 0.07 -1.09 118.68 125.72 3ffz s LEU 1030Ca 0.01 0.22 -0.06 0.00 0.69 0.00 0.00 54.13 54.99 3ffz s LEU 1030Cb -0.15 -2.03 0.18 0.00 -0.43 0.00 0.00 46.19 43.76 3ffz s LEU 1030CO -0.08 0.23 0.55 -0.36 -0.29 0.00 0.00 176.35 176.39 3ffz s PHE 1031N 0.07 3.52 -0.07 5.38 0.08 0.43 0.02 117.98 127.41 3ffz s PHE 1031Ca 0.08 -2.55 -0.07 0.00 0.12 0.00 0.00 56.93 54.51 3ffz s PHE 1031Cb -0.12 -3.37 0.02 0.00 -0.57 0.00 0.00 43.02 38.99 3ffz s PHE 1031CO -0.00 -0.87 0.20 0.21 -0.10 0.00 0.00 175.22 174.65 3ffz s LYS 1032N -0.10 0.24 -0.41 0.44 2.20 -0.79 -2.51 119.74 118.81 3ffz s LYS 1032Ca 0.18 0.25 -0.27 0.00 -0.36 0.00 0.00 55.97 55.77 3ffz s LYS 1032Cb -0.17 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 3ffz s LYS 1032CO -0.05 -0.03 1.00 0.42 -0.36 0.00 0.00 175.35 176.32 3ffz s ILE 1033N 0.05 4.46 -0.07 5.43 1.01 -1.26 -3.89 121.20 126.93 3ffz s ILE 1033Ca -0.01 1.16 0.05 0.00 0.00 0.00 0.00 60.65 61.85 3ffz s ILE 1033Cb -0.02 -4.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 3ffz s ILE 1033CO 0.00 -0.72 -0.21 -0.69 0.00 0.00 0.00 174.94 173.32 3ffz s VAL 1034N 3.80 1.80 -1.36 2.92 1.01 -0.29 -4.77 120.40 123.51 3ffz s VAL 1034Ca 0.41 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ffz s VAL 1034Cb -0.10 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3ffz s VAL 1034CO 0.23 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.43 3ffz n ASN 1035N 3.27 -4.59 -4.65 3.32 3.02 -1.26 -1.96 115.26 112.41 3ffz n ASN 1035Ca -0.19 0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 3ffz n ASN 1035Cb 0.52 -3.64 -0.06 0.00 -0.61 0.00 0.00 39.78 35.99 3ffz n ASN 1035CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ffz h SER 1037N 7.58 0.00 -3.07 0.00 4.64 -1.94 -3.44 113.55 117.32 3ffz h SER 1037Ca -0.31 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.48 3ffz h SER 1037Cb 1.14 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.07 3ffz h SER 1037CO 0.76 0.00 -0.76 -0.72 -0.87 0.00 0.00 176.83 175.24 3ffz s TYR 1038N -4.21 1.93 -0.23 4.77 -0.85 -1.26 -5.10 117.35 112.40 3ffz s TYR 1038Ca -0.05 -0.46 -0.29 0.00 -0.52 0.00 0.00 57.07 55.75 3ffz s TYR 1038Cb 0.13 -0.91 -0.01 0.00 0.38 0.00 0.00 41.96 41.55 3ffz s TYR 1038CO 0.41 0.45 1.37 0.95 -1.52 0.00 0.00 175.55 177.20 3ffz s THR 1039N -2.46 4.07 0.24 -3.49 -4.23 -1.26 -4.98 115.64 103.54 3ffz s THR 1039Ca 0.22 1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.95 3ffz s THR 1039Cb -0.04 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.83 3ffz s THR 1039CO 0.09 -0.30 0.37 -2.11 -0.54 0.00 0.00 174.62 172.12 3ffz n ARG 1040N 7.13 0.53 -4.00 3.99 1.85 -1.26 -5.06 116.66 119.84 3ffz n ARG 1040Ca 0.15 -1.84 -0.08 0.00 -1.00 0.00 0.00 57.85 55.09 3ffz n ARG 1040Cb 0.45 1.85 -0.09 0.00 -1.05 0.00 0.00 32.46 33.62 3ffz n ARG 1040CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 3ffz s TYR 1041N -3.73 0.37 -0.02 2.89 -0.85 -1.26 -3.20 117.35 111.55 3ffz s TYR 1041Ca 0.18 -0.85 -0.13 0.00 -0.52 0.00 0.00 57.07 55.75 3ffz s TYR 1041Cb -0.01 -0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.09 3ffz s TYR 1041CO 0.13 -0.43 0.28 0.96 -1.52 0.00 0.00 175.55 174.97 3ffz s ILE 1042N -3.76 0.06 0.05 -3.49 -4.36 -1.04 -4.35 121.20 104.32 3ffz s ILE 1042Ca 0.05 -0.48 0.08 0.00 -0.26 0.00 0.00 60.65 60.04 3ffz s ILE 1042Cb 0.06 -0.57 -0.03 0.00 1.25 0.00 0.00 42.46 43.17 3ffz s ILE 1042CO -0.10 -0.26 -0.21 -0.83 0.24 0.00 0.00 174.94 173.78 3ffz s GLY 1043N -1.23 1.54 0.14 6.27 0.00 -0.50 -1.25 107.32 112.30 3ffz s GLY 1043Ca -0.13 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.37 3ffz s GLY 1043CO 0.03 -1.14 -0.02 -0.26 0.00 0.00 0.00 173.10 171.72 3ffz s ILE 1044N -0.92 0.65 -0.04 0.90 -5.25 -0.72 -0.15 121.20 115.67 3ffz s ILE 1044Ca 0.14 -1.96 -0.29 0.00 -0.99 0.00 0.00 60.65 57.55 3ffz s ILE 1044Cb -0.10 -1.96 0.10 0.00 2.95 0.00 0.00 42.46 43.44 3ffz s ILE 1044CO 0.05 -0.61 0.83 0.00 -1.79 0.00 0.00 174.94 173.41 3ffz s ARG 1045N -3.89 0.88 -1.42 0.37 1.70 -0.52 -2.52 118.95 113.54 3ffz s ARG 1045Ca 0.20 -0.04 -0.04 0.00 -0.47 0.00 0.00 55.73 55.39 3ffz s ARG 1045Cb 0.06 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.87 3ffz s ARG 1045CO 0.01 -0.32 0.60 0.66 -1.08 0.00 0.00 175.30 175.17 3ffz n TYR 1046N 0.35 -1.81 -2.15 5.89 4.01 -1.26 -1.58 117.16 120.61 3ffz n TYR 1046Ca -0.13 0.80 -0.42 0.00 -0.16 0.00 0.00 57.90 57.98 3ffz n TYR 1046Cb 0.60 -3.88 -0.03 0.00 -0.31 0.00 0.00 39.34 35.72 3ffz n TYR 1046CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3ffz s PHE 1047N -3.73 2.35 0.17 -0.72 5.36 -1.26 -4.20 117.98 115.95 3ffz s PHE 1047Ca 0.16 0.51 0.07 0.00 -0.96 0.00 0.00 56.93 56.70 3ffz s PHE 1047Cb -0.08 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.79 3ffz s PHE 1047CO 0.86 -3.07 -0.14 -0.80 -1.46 0.00 0.00 175.22 170.62 3ffz s ASN 1048N 2.74 2.29 -0.03 6.13 0.02 0.41 -2.28 114.94 124.21 3ffz s ASN 1048Ca 0.67 -0.96 -0.00 0.00 -1.02 0.00 0.00 52.86 51.54 3ffz s ASN 1048Cb -0.30 -0.10 0.03 0.00 0.02 0.00 0.00 41.25 40.90 3ffz s ASN 1048CO 0.25 -0.19 0.03 -0.63 0.02 0.00 0.00 177.10 176.58 3ffz s ILE 1049N -2.80 -0.01 0.11 0.60 1.01 -1.10 -0.79 121.20 118.22 3ffz s ILE 1049Ca 0.18 0.23 0.08 0.00 0.00 0.00 0.00 60.65 61.14 3ffz s ILE 1049Cb -0.01 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 3ffz s ILE 1049CO 0.05 0.12 -0.15 -0.36 0.00 0.00 0.00 174.94 174.60 3ffz s PHE 1050N 1.30 2.61 -0.32 3.97 0.08 0.72 -0.88 117.98 125.46 3ffz s PHE 1050Ca -0.06 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.77 3ffz s PHE 1050Cb -0.13 -1.38 0.29 0.00 -0.57 0.00 0.00 43.02 41.23 3ffz s PHE 1050CO -0.03 0.39 1.83 -0.40 -0.10 0.00 0.00 175.22 176.91 3ffz n ASP 1051N 0.81 5.44 -3.62 1.36 3.85 0.01 -0.68 116.55 123.72 3ffz n ASP 1051Ca -0.15 -3.06 -0.03 0.00 -0.71 0.00 0.00 54.79 50.84 3ffz n ASP 1051Cb 0.52 -0.91 -0.01 0.00 -1.35 0.00 0.00 41.12 39.37 3ffz n ASP 1051CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3ffz s LYS 1052N -2.00 0.60 -0.28 0.11 -2.85 -1.24 -4.67 119.74 109.43 3ffz s LYS 1052Ca 0.34 -0.29 -0.27 0.00 -1.00 0.00 0.00 55.97 54.76 3ffz s LYS 1052Cb 0.27 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 3ffz s LYS 1052CO 0.02 -0.27 0.94 -2.00 0.10 0.00 0.00 175.35 174.14 3ffz s GLU 1053N -2.72 4.11 0.43 1.78 2.12 -1.26 -2.39 118.70 120.77 3ffz s GLU 1053Ca 0.11 0.99 -0.22 0.00 0.36 0.00 0.00 54.97 56.20 3ffz s GLU 1053Cb 0.01 -3.69 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 3ffz s GLU 1053CO -0.04 -0.70 1.03 -0.51 -0.54 0.00 0.00 175.26 174.50 3ffz s LEU 1054N 3.19 4.02 0.20 2.70 1.43 -1.26 -5.01 118.68 123.96 3ffz s LEU 1054Ca 0.39 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3ffz s LEU 1054Cb -0.14 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 3ffz s LEU 1054CO 0.11 -0.56 0.30 1.51 0.23 0.00 0.00 176.35 177.93 3ffz s ASP 1055N -1.79 6.17 0.34 2.29 1.47 -1.26 -4.92 116.67 118.97 3ffz s ASP 1055Ca 0.61 0.05 0.09 0.00 1.18 0.00 0.00 52.55 54.48 3ffz s ASP 1055Cb -0.18 -1.79 0.46 0.00 -0.34 0.00 0.00 42.92 41.07 3ffz s ASP 1055CO 0.23 -0.01 1.11 -0.33 0.68 0.00 0.00 175.17 176.84 3ffz h GLU 1056N 1.63 0.00 0.06 2.11 5.08 -1.98 -0.68 114.58 120.81 3ffz h GLU 1056Ca -0.50 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.61 3ffz h GLU 1056Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3ffz h GLU 1056CO 0.64 0.00 -1.35 1.15 -1.00 0.00 0.00 179.01 178.45 3ffz h THR 1057N 0.00 0.97 -0.08 1.13 2.02 -1.99 -2.96 112.91 112.01 3ffz h THR 1057Ca 0.00 -2.30 -0.06 0.00 0.77 0.00 0.00 66.41 64.82 3ffz h THR 1057Cb 0.95 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 3ffz h THR 1057CO 0.00 0.58 -0.25 -0.33 0.37 0.00 0.00 175.52 175.89 3ffz h GLU 1058N -0.56 0.13 -0.07 6.66 5.08 -1.47 0.31 114.58 124.66 3ffz h GLU 1058Ca -0.32 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3ffz h GLU 1058Cb 1.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 3ffz h GLU 1058CO -0.04 0.38 -0.05 0.82 -1.00 0.00 0.00 179.01 179.11 3ffz h ILE 1059N 0.12 1.36 -0.55 3.13 2.04 -1.52 -3.15 117.51 118.94 3ffz h ILE 1059Ca 0.02 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.73 3ffz h ILE 1059Cb 0.51 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3ffz h ILE 1059CO 0.04 0.32 0.37 1.56 0.00 0.00 0.00 178.15 180.43 3ffz h GLN 1060N -0.26 0.73 -3.35 2.37 1.08 -1.30 -1.55 115.11 112.84 3ffz h GLN 1060Ca 0.01 -0.04 -0.73 0.00 -1.45 0.00 0.00 58.65 56.43 3ffz h GLN 1060Cb 0.54 -0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 27.70 3ffz h GLN 1060CO 0.01 0.48 2.55 -2.37 -0.95 0.00 0.00 178.83 178.56 3ffz n THR 1061N -4.70 4.36 0.00 -0.54 5.66 0.07 -2.47 114.28 116.66 3ffz n THR 1061Ca 0.03 -3.89 0.00 0.00 -3.05 0.00 0.00 64.05 57.15 3ffz n THR 1061Cb 0.02 -2.38 0.00 0.00 -1.55 0.00 0.00 70.33 66.42 3ffz n THR 1061CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 3ffz n LEU 1062N 3.81 0.00 0.22 1.09 7.94 -1.14 -4.78 117.00 124.14 3ffz n LEU 1062Ca 0.52 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.51 3ffz n LEU 1062Cb 0.33 0.01 0.43 0.00 0.53 0.00 0.00 43.42 44.71 3ffz n LEU 1062CO 0.81 -0.01 0.78 0.22 -1.11 0.00 0.00 177.39 178.08 3ffz h TYR 1063N 0.00 0.00 0.00 1.96 3.20 -0.98 -1.12 116.97 120.03 3ffz h TYR 1063Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 3ffz h TYR 1063Cb 0.00 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3ffz h TYR 1063CO 0.00 0.24 -2.17 -1.13 -1.64 0.00 0.00 178.16 173.46 3ffz n SER 1064N -3.39 0.14 -0.03 -2.11 3.41 -1.03 -4.61 113.62 106.00 3ffz n SER 1064Ca 0.00 0.06 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 3ffz n SER 1064Cb 0.45 1.05 -0.13 0.00 -0.26 0.00 0.00 64.21 65.32 3ffz n SER 1064CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ffz n ASN 1065N -2.68 2.07 -0.37 4.04 5.03 -1.19 -4.40 115.26 117.76 3ffz n ASN 1065Ca -0.24 0.21 0.30 0.00 0.87 0.00 0.00 54.58 55.72 3ffz n ASN 1065Cb 1.00 -0.84 0.56 0.00 -1.02 0.00 0.00 39.78 39.49 3ffz n ASN 1065CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3ffz h GLU 1066N -0.13 0.20 -2.59 3.52 5.08 -1.46 -2.79 114.58 116.42 3ffz h GLU 1066Ca -0.43 -0.01 -0.78 0.00 -1.00 0.00 0.00 59.36 57.13 3ffz h GLU 1066Cb 1.90 -0.04 -0.21 0.00 0.50 0.00 0.00 28.75 30.90 3ffz h GLU 1066CO 0.01 0.13 1.58 -0.35 -1.00 0.00 0.00 179.01 179.39 3ffz n PRO 1067N -4.87 4.85 -0.83 2.33 -0.04 -1.26 -4.95 135.00 130.22 3ffz n PRO 1067Ca 0.34 -4.12 0.00 0.00 -0.04 0.00 0.00 63.50 59.67 3ffz n PRO 1067Cb 1.18 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3ffz n PRO 1067CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ffz n ASN 1068N 1.13 -1.10 0.29 3.54 4.13 -1.05 -4.72 115.26 117.48 3ffz n ASN 1068Ca 0.49 0.09 0.10 0.00 1.68 0.00 0.00 54.58 56.93 3ffz n ASN 1068Cb 0.27 -0.25 0.52 0.00 -1.54 0.00 0.00 39.78 38.79 3ffz n ASN 1068CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3ffz h THR 1069N 1.68 0.00 -0.23 3.41 1.35 -1.78 -1.79 112.91 115.55 3ffz h THR 1069Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ffz h THR 1069Cb 0.12 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 3ffz h THR 1069CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 3ffz n ASN 1070N -2.59 2.93 -4.47 5.36 3.02 -1.26 -4.86 115.26 113.40 3ffz n ASN 1070Ca -0.01 -1.92 -0.33 0.00 -0.03 0.00 0.00 54.58 52.28 3ffz n ASN 1070Cb 0.51 -0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 3ffz n ASN 1070CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ffz s ILE 1071N -1.72 3.35 0.97 2.41 1.01 -0.67 -1.31 121.20 125.24 3ffz s ILE 1071Ca 0.35 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3ffz s ILE 1071Cb 0.21 -2.39 0.17 0.00 0.01 0.00 0.00 42.46 40.46 3ffz s ILE 1071CO 0.31 0.55 1.12 -0.76 0.00 0.00 0.00 174.94 176.15 3ffz s LEU 1072N -0.15 1.75 0.17 2.97 1.02 0.31 -4.90 118.68 119.85 3ffz s LEU 1072Ca 0.00 1.05 0.07 0.00 0.02 0.00 0.00 54.13 55.27 3ffz s LEU 1072Cb -0.13 -3.28 -0.04 0.00 0.02 0.00 0.00 46.19 42.76 3ffz s LEU 1072CO 0.03 -2.90 -0.15 -0.54 0.02 0.00 0.00 176.35 172.82 3ffz s LYS 1073N -5.13 1.22 1.14 1.70 -0.14 -1.26 -0.88 119.74 116.39 3ffz s LYS 1073Ca 0.65 -1.45 -0.15 0.00 -1.36 0.00 0.00 55.97 53.65 3ffz s LYS 1073Cb -0.17 -1.07 0.26 0.00 -1.68 0.00 0.00 37.83 35.17 3ffz s LYS 1073CO 0.55 0.19 1.06 -0.51 -0.76 0.00 0.00 175.35 175.89 3ffz s ASP 1074N -2.96 1.38 0.42 2.83 1.01 0.70 -4.53 116.67 115.52 3ffz s ASP 1074Ca 0.17 1.09 0.28 0.00 0.71 0.00 0.00 52.55 54.80 3ffz s ASP 1074Cb -0.02 -1.66 0.98 0.00 1.01 0.00 0.00 42.92 43.22 3ffz s ASP 1074CO 0.05 -3.89 1.81 0.15 0.21 0.00 0.00 175.17 173.50 3ffz h PHE 1075N -2.41 0.00 0.00 4.23 3.57 -1.61 -2.96 116.94 117.76 3ffz h PHE 1075Ca -0.54 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.96 3ffz h PHE 1075Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3ffz h PHE 1075CO -0.61 0.00 -1.00 0.91 -2.23 0.00 0.00 178.31 175.38 3ffz n TRP 1076N -2.80 0.00 0.00 0.41 8.01 -1.26 -4.96 117.44 116.85 3ffz n TRP 1076Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3ffz n TRP 1076Cb 0.36 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 3ffz n TRP 1076CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ffz n GLY 1077N 1.50 0.91 3.61 6.99 0.00 -1.12 -1.42 105.19 115.66 3ffz n GLY 1077Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3ffz n GLY 1077CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ffz n ASN 1078N 0.00 -0.11 -4.74 1.61 3.02 -1.26 -4.68 115.26 109.10 3ffz n ASN 1078Ca 0.00 -1.42 -0.41 0.00 -0.03 0.00 0.00 54.58 52.72 3ffz n ASN 1078Cb 0.00 -0.96 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 3ffz n ASN 1078CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ffz s TYR 1079N -3.66 3.65 0.07 3.10 2.02 -1.26 -0.22 117.35 121.05 3ffz s TYR 1079Ca 0.71 1.66 -0.31 0.00 -0.37 0.00 0.00 57.07 58.77 3ffz s TYR 1079Cb -0.02 -3.23 -0.06 0.00 -0.40 0.00 0.00 41.96 38.24 3ffz s TYR 1079CO 0.50 -0.43 1.28 -1.17 -1.57 0.00 0.00 175.55 174.16 3ffz s LEU 1080N -0.62 4.36 0.00 -1.29 2.96 -0.05 -4.51 118.68 119.53 3ffz s LEU 1080Ca 0.47 2.12 0.04 0.00 -0.22 0.00 0.00 54.13 56.54 3ffz s LEU 1080Cb -0.29 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.86 3ffz s LEU 1080CO 0.35 -0.55 0.31 0.18 -1.32 0.00 0.00 176.35 175.32 3ffz n LEU 1081N 4.10 0.00 -4.58 -0.68 4.77 -1.26 -0.99 117.00 118.37 3ffz n LEU 1081Ca 0.10 -1.48 -0.25 0.00 -0.03 0.00 0.00 56.01 54.35 3ffz n LEU 1081Cb 0.45 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 3ffz n LEU 1081CO 0.57 -0.51 -0.39 -0.31 -1.33 0.00 0.00 177.39 175.41 3ffz s TYR 1082N -1.27 2.62 -1.53 -1.77 2.02 -0.49 -4.62 117.35 112.31 3ffz s TYR 1082Ca 0.23 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.69 3ffz s TYR 1082Cb -0.02 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 3ffz s TYR 1082CO 0.15 0.56 0.17 -3.47 -1.57 0.00 0.00 175.55 171.39 3ffz n ASP 1083N -0.27 -5.33 -4.17 2.29 4.64 -0.73 -4.97 116.55 108.01 3ffz n ASP 1083Ca -0.09 -0.05 -0.27 0.00 -1.38 0.00 0.00 54.79 53.00 3ffz n ASP 1083Cb 0.57 -4.42 -0.16 0.00 -1.04 0.00 0.00 41.12 36.07 3ffz n ASP 1083CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3ffz s LYS 1084N -5.26 1.78 -0.02 -0.67 2.47 -1.26 -5.02 119.74 111.75 3ffz s LYS 1084Ca 0.10 -0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 53.55 3ffz s LYS 1084Cb -0.04 -1.59 -0.03 0.00 -1.46 0.00 0.00 37.83 34.70 3ffz s LYS 1084CO 0.12 0.31 1.09 -1.21 0.16 0.00 0.00 175.35 175.82 3ffz s GLU 1085N -0.14 4.45 0.12 4.03 2.02 -1.26 -4.33 118.70 123.60 3ffz s GLU 1085Ca -0.00 1.55 0.04 0.00 0.02 0.00 0.00 54.97 56.58 3ffz s GLU 1085Cb -0.10 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 3ffz s GLU 1085CO 0.01 -0.25 -0.09 0.71 0.02 0.00 0.00 175.26 175.66 3ffz s TYR 1086N 1.53 1.12 0.14 1.61 2.02 -0.11 -4.63 117.35 119.03 3ffz s TYR 1086Ca 0.54 -0.76 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3ffz s TYR 1086Cb -0.23 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 3ffz s TYR 1086CO 0.25 0.01 0.12 0.71 -1.57 0.00 0.00 175.55 175.06 3ffz s TYR 1087N -3.11 3.16 0.04 2.71 2.02 0.38 -1.06 117.35 121.49 3ffz s TYR 1087Ca 0.12 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3ffz s TYR 1087Cb 0.01 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3ffz s TYR 1087CO -0.01 0.52 0.11 -0.51 -1.57 0.00 0.00 175.55 174.09 3ffz s LEU 1088N -2.90 3.98 -0.02 -1.29 1.43 -1.26 0.57 118.68 119.19 3ffz s LEU 1088Ca 0.30 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3ffz s LEU 1088Cb -0.11 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.64 3ffz s LEU 1088CO 0.23 0.22 0.02 -0.22 0.23 0.00 0.00 176.35 176.82 3ffz s LEU 1089N -2.13 1.20 -0.23 1.79 2.96 -0.89 -4.73 118.68 116.67 3ffz s LEU 1089Ca 0.28 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 3ffz s LEU 1089Cb -0.12 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 3ffz s LEU 1089CO 0.20 -0.11 0.13 0.21 -1.32 0.00 0.00 176.35 175.46 3ffz s ASN 1090N 0.94 5.98 0.20 3.68 3.84 -1.26 -0.80 114.94 127.51 3ffz s ASN 1090Ca -0.08 0.10 -0.10 0.00 0.21 0.00 0.00 52.86 52.98 3ffz s ASN 1090Cb -0.12 -2.07 0.19 0.00 -0.55 0.00 0.00 41.25 38.71 3ffz s ASN 1090CO -0.02 0.09 1.83 0.58 -2.79 0.00 0.00 177.10 176.79 3ffz h VAL 1091N 4.98 1.05 -0.47 -5.21 2.07 -1.33 -2.69 116.25 114.65 3ffz h VAL 1091Ca -0.38 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3ffz h VAL 1091Cb 1.17 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3ffz h VAL 1091CO 0.67 0.14 0.17 0.25 0.02 0.00 0.00 177.57 178.82 3ffz h LEU 1092N 0.77 0.66 -6.37 2.57 5.85 -1.78 -3.30 115.31 113.72 3ffz h LEU 1092Ca 0.28 -0.18 -0.71 0.00 0.84 0.00 0.00 57.88 58.10 3ffz h LEU 1092Cb 0.08 -0.17 -0.35 0.00 0.37 0.00 0.00 40.66 40.59 3ffz h LEU 1092CO -0.13 0.67 0.16 0.29 -0.34 0.00 0.00 178.44 179.09 3ffz n LYS 1093N -4.56 3.79 -0.30 1.25 5.02 -1.03 -4.90 118.16 117.43 3ffz n LYS 1093Ca 0.01 -4.66 0.29 0.00 -2.02 0.00 0.00 58.31 51.94 3ffz n LYS 1093Cb 0.17 -2.38 0.64 0.00 -0.02 0.00 0.00 35.03 33.44 3ffz n LYS 1093CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3ffz h PRO 1094N 4.51 0.16 -0.44 1.97 0.11 -1.59 -1.07 132.00 135.66 3ffz h PRO 1094Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3ffz h PRO 1094Cb 0.57 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3ffz h PRO 1094CO 1.08 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 179.07 3ffz n ASN 1095N -4.39 2.62 -4.64 -2.05 3.02 -1.26 -4.83 115.26 103.73 3ffz n ASN 1095Ca 0.25 -1.95 -0.24 0.00 -0.03 0.00 0.00 54.58 52.60 3ffz n ASN 1095Cb 1.05 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.85 3ffz n ASN 1095CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ffz s ASN 1096N -1.14 4.30 0.01 6.41 0.02 -0.41 0.02 114.94 124.15 3ffz s ASN 1096Ca 0.34 -0.90 -0.06 0.00 -1.02 0.00 0.00 52.86 51.23 3ffz s ASN 1096Cb 0.18 -0.61 -0.00 0.00 0.02 0.00 0.00 41.25 40.84 3ffz s ASN 1096CO 0.24 -0.19 0.10 0.72 0.02 0.00 0.00 177.10 177.99 3ffz s PHE 1097N -2.47 0.11 0.33 2.20 -0.12 -0.83 -4.70 117.98 112.50 3ffz s PHE 1097Ca 0.34 -0.26 -0.26 0.00 -0.05 0.00 0.00 56.93 56.70 3ffz s PHE 1097Cb -0.02 -0.09 -0.10 0.00 -0.63 0.00 0.00 43.02 42.19 3ffz s PHE 1097CO 0.20 -0.27 0.99 0.42 -0.05 0.00 0.00 175.22 176.50 3ffz s ILE 1098N -1.53 3.97 0.02 -4.49 1.09 -1.26 -4.08 121.20 114.93 3ffz s ILE 1098Ca -0.14 1.67 -0.06 0.00 -1.10 0.00 0.00 60.65 61.02 3ffz s ILE 1098Cb -0.08 -3.94 -0.01 0.00 -1.06 0.00 0.00 42.46 37.38 3ffz s ILE 1098CO 0.00 0.16 0.10 -0.62 -0.10 0.00 0.00 174.94 174.49 3ffz s ASP 1099N -1.47 0.13 0.41 3.58 -1.08 -0.19 -2.23 116.67 115.82 3ffz s ASP 1099Ca 0.51 -0.42 -0.24 0.00 -0.52 0.00 0.00 52.55 51.88 3ffz s ASP 1099Cb -0.22 0.21 -0.09 0.00 -1.46 0.00 0.00 42.92 41.36 3ffz s ASP 1099CO 0.28 -0.45 1.06 -0.60 0.52 0.00 0.00 175.17 175.97 3ffz s ARG 1100N -2.11 4.11 0.26 4.34 3.52 -1.26 -0.54 118.95 127.26 3ffz s ARG 1100Ca -0.09 1.52 0.10 0.00 -0.13 0.00 0.00 55.73 57.13 3ffz s ARG 1100Cb -0.04 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3ffz s ARG 1100CO -0.02 -0.19 -0.07 1.03 -0.81 0.00 0.00 175.30 175.24 3ffz s ARG 1101N -2.57 2.10 0.47 5.12 0.52 -0.44 -4.82 118.95 119.33 3ffz s ARG 1101Ca 0.59 -1.49 0.14 0.00 -0.52 0.00 0.00 55.73 54.45 3ffz s ARG 1101Cb -0.22 -2.06 1.11 0.00 0.52 0.00 0.00 34.95 34.30 3ffz s ARG 1101CO 0.27 0.37 2.08 0.87 0.02 0.00 0.00 175.30 178.91 3ffz h LYS 1102N 2.13 0.24 -0.75 3.54 1.57 -1.98 0.25 116.57 121.57 3ffz h LYS 1102Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ffz h LYS 1102Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3ffz h LYS 1102CO 0.59 0.16 0.00 -0.40 -0.57 0.00 0.00 179.45 179.23 3ffz n ASP 1103N -4.49 2.60 -1.65 0.86 5.68 -1.26 -4.89 116.55 113.41 3ffz n ASP 1103Ca 0.02 -2.30 -0.20 0.00 -0.50 0.00 0.00 54.79 51.81 3ffz n ASP 1103Cb 0.18 -0.51 -0.08 0.00 -1.14 0.00 0.00 41.12 39.57 3ffz n ASP 1103CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ffz n SER 1104N 0.26 -5.38 -4.69 -1.12 3.41 0.87 -4.91 113.62 102.06 3ffz n SER 1104Ca 0.10 0.47 -0.23 0.00 -0.26 0.00 0.00 58.87 58.95 3ffz n SER 1104Cb 0.55 -4.74 0.11 0.00 -0.26 0.00 0.00 64.21 59.87 3ffz n SER 1104CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3ffz s THR 1105N -2.74 2.02 -0.09 6.66 -4.23 -1.26 -0.96 115.64 115.04 3ffz s THR 1105Ca 0.00 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3ffz s THR 1105Cb 0.00 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 3ffz s THR 1105CO 0.00 0.00 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.08 3ffz s LEU 1106N -5.11 2.08 0.03 4.79 1.43 -1.21 -1.32 118.68 119.36 3ffz s LEU 1106Ca 0.67 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3ffz s LEU 1106Cb -0.04 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3ffz s LEU 1106CO 0.44 0.18 0.20 -0.94 0.23 0.00 0.00 176.35 176.46 3ffz s SER 1107N 0.23 6.37 -0.10 2.29 1.04 0.29 -0.96 113.70 122.86 3ffz s SER 1107Ca -0.15 0.30 0.13 0.00 0.48 0.00 0.00 55.95 56.71 3ffz s SER 1107Cb -0.17 -1.98 0.24 0.00 0.10 0.00 0.00 66.02 64.21 3ffz s SER 1107CO 0.08 0.21 1.12 0.00 0.98 0.00 0.00 173.24 175.63 3ffz n ILE 1108N 0.58 1.33 -1.56 -1.02 3.06 -0.40 -1.02 119.36 120.33 3ffz n ILE 1108Ca -0.08 -1.74 -0.30 0.00 -2.50 0.00 0.00 62.75 58.13 3ffz n ILE 1108Cb 0.52 0.03 0.07 0.00 0.54 0.00 0.00 39.64 40.79 3ffz n ILE 1108CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3ffz n ASN 1109N -0.90 6.51 -4.34 9.51 0.23 -1.26 -4.57 115.26 120.44 3ffz n ASN 1109Ca 0.12 -3.77 -0.34 0.00 -0.53 0.00 0.00 54.58 50.05 3ffz n ASN 1109Cb 0.69 -0.75 -0.14 0.00 -2.08 0.00 0.00 39.78 37.50 3ffz n ASN 1109CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3ffz s ASN 1110N -2.43 4.23 0.07 0.53 0.01 -1.26 -5.04 114.94 111.06 3ffz s ASN 1110Ca 0.59 -0.35 -0.25 0.00 -0.71 0.00 0.00 52.86 52.15 3ffz s ASN 1110Cb 0.47 -1.70 -0.06 0.00 0.41 0.00 0.00 41.25 40.38 3ffz s ASN 1110CO 0.01 0.06 0.75 0.27 -1.51 0.00 0.00 177.10 176.68 3ffz s ILE 1111N 1.02 4.67 0.09 0.60 -4.36 -1.26 -1.97 121.20 119.99 3ffz s ILE 1111Ca -0.00 1.61 -0.30 0.00 -0.26 0.00 0.00 60.65 61.70 3ffz s ILE 1111Cb -0.15 -4.10 -0.06 0.00 1.25 0.00 0.00 42.46 39.40 3ffz s ILE 1111CO -0.00 0.40 1.14 -0.13 0.24 0.00 0.00 174.94 176.58 3ffz s ARG 1112N -0.31 4.51 0.88 0.37 0.52 0.10 -4.92 118.95 120.10 3ffz s ARG 1112Ca 0.37 1.71 -0.12 0.00 -0.52 0.00 0.00 55.73 57.17 3ffz s ARG 1112Cb -0.21 -3.34 0.12 0.00 0.52 0.00 0.00 34.95 32.04 3ffz s ARG 1112CO 0.23 -0.11 1.10 -1.54 0.02 0.00 0.00 175.30 175.00 3ffz s SER 1113N 0.64 3.73 -0.04 0.23 1.04 -1.26 -4.75 113.70 113.29 3ffz s SER 1113Ca 0.54 1.27 0.02 0.00 0.48 0.00 0.00 55.95 58.27 3ffz s SER 1113Cb -0.28 -1.95 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 3ffz s SER 1113CO 0.31 -2.45 -0.08 0.28 0.98 0.00 0.00 173.24 172.28 3ffz s THR 1114N -3.09 3.57 -0.66 2.02 -1.32 -1.26 -1.54 115.64 113.36 3ffz s THR 1114Ca 0.63 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 3ffz s THR 1114Cb -0.16 -2.48 0.16 0.00 -1.51 0.00 0.00 72.50 68.51 3ffz s THR 1114CO 0.55 0.53 0.44 -0.51 -2.21 0.00 0.00 174.62 173.42 3ffz s ILE 1115N -0.86 2.85 -0.45 5.08 2.07 -0.74 -4.73 121.20 124.42 3ffz s ILE 1115Ca 0.14 -4.02 -0.02 0.00 -1.41 0.00 0.00 60.65 55.34 3ffz s ILE 1115Cb -0.11 -2.90 -0.03 0.00 0.13 0.00 0.00 42.46 39.56 3ffz s ILE 1115CO 0.03 -0.95 0.39 -0.11 -1.91 0.00 0.00 174.94 172.39 3ffz n LEU 1116N 2.28 -3.47 0.00 8.50 7.94 -1.26 -3.68 117.00 127.31 3ffz n LEU 1116Ca 0.16 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 3ffz n LEU 1116Cb 0.34 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.66 3ffz n LEU 1116CO 0.29 0.05 0.00 0.18 -1.11 0.00 0.00 177.39 176.81 3ffz n LEU 1117N -2.23 0.00 -4.61 -1.96 4.32 -1.26 -4.93 117.00 106.32 3ffz n LEU 1117Ca -0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.55 3ffz n LEU 1117Cb 0.55 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.27 3ffz n LEU 1117CO 0.25 0.00 0.27 0.00 -1.22 0.00 0.00 177.39 176.69 3ffz s ALA 1118N -0.80 3.58 0.52 -1.18 0.00 -1.24 0.71 121.76 123.34 3ffz s ALA 1118Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 3ffz s ALA 1118Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.10 3ffz s ALA 1118CO 0.00 -0.81 0.75 0.09 0.00 0.00 0.00 175.76 175.79 3ffz n ASN 1119N 5.60 -0.02 -4.71 0.00 3.02 0.72 -1.79 115.26 118.09 3ffz n ASN 1119Ca -0.03 0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 54.96 3ffz n ASN 1119Cb 0.49 -1.26 -0.04 0.00 -0.61 0.00 0.00 39.78 38.37 3ffz n ASN 1119CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ffz s ARG 1120N -2.14 4.51 -0.03 3.52 0.52 -0.59 -4.80 118.95 119.94 3ffz s ARG 1120Ca 0.68 1.21 0.13 0.00 -0.52 0.00 0.00 55.73 57.24 3ffz s ARG 1120Cb -0.49 -3.46 -0.21 0.00 0.52 0.00 0.00 34.95 31.31 3ffz s ARG 1120CO 0.54 -0.01 0.69 1.28 0.02 0.00 0.00 175.30 177.82 3ffz n LEU 1121N 3.86 0.88 -2.88 2.53 4.77 -1.26 -4.41 117.00 120.50 3ffz n LEU 1121Ca 0.03 0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 56.12 3ffz n LEU 1121Cb 0.51 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 3ffz n LEU 1121CO 0.50 0.35 2.53 -1.22 -1.33 0.00 0.00 177.39 178.22 3ffz n TYR 1122N -3.02 1.67 -4.26 -1.77 4.01 -1.26 -4.86 117.16 107.66 3ffz n TYR 1122Ca -0.16 -2.47 -0.22 0.00 -0.16 0.00 0.00 57.90 54.90 3ffz n TYR 1122Cb 1.02 -2.01 -0.12 0.00 -0.31 0.00 0.00 39.34 37.92 3ffz n TYR 1122CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3ffz s SER 1123N 1.62 2.32 0.00 7.72 0.01 -1.26 -5.10 113.70 119.01 3ffz s SER 1123Ca 0.65 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3ffz s SER 1123Cb 0.24 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3ffz s SER 1123CO -0.07 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3ffz n GLY 1124N 0.92 -1.80 3.82 3.44 0.00 -1.26 -4.70 105.19 105.61 3ffz n GLY 1124Ca -0.18 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3ffz n GLY 1124CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ffz s ILE 1125N 0.00 3.96 0.03 -0.61 -4.36 -0.95 -5.03 121.20 114.25 3ffz s ILE 1125Ca 0.00 0.64 0.07 0.00 -0.26 0.00 0.00 60.65 61.10 3ffz s ILE 1125Cb 0.00 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.28 3ffz s ILE 1125CO 0.00 -0.83 -0.19 -0.54 0.24 0.00 0.00 174.94 173.62 3ffz s LYS 1126N -5.07 2.06 0.30 0.37 1.02 -1.26 -4.26 119.74 112.90 3ffz s LYS 1126Ca 0.58 -0.98 0.07 0.00 0.02 0.00 0.00 55.97 55.66 3ffz s LYS 1126Cb -0.14 -2.17 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 3ffz s LYS 1126CO 0.55 0.54 -0.05 0.14 -0.92 0.00 0.00 175.35 175.61 3ffz s VAL 1127N -0.89 1.71 -0.05 3.17 -7.23 -0.22 -1.60 120.40 115.28 3ffz s VAL 1127Ca 0.14 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3ffz s VAL 1127Cb -0.10 -2.55 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3ffz s VAL 1127CO 0.04 -0.23 0.11 -0.54 -0.31 0.00 0.00 175.10 174.17 3ffz s LYS 1128N -3.73 0.07 0.03 4.82 1.02 -0.49 -0.94 119.74 120.52 3ffz s LYS 1128Ca 0.31 0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.56 3ffz s LYS 1128Cb 0.04 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 3ffz s LYS 1128CO 0.13 -0.14 0.23 0.42 -0.92 0.00 0.00 175.35 175.08 3ffz s ILE 1129N 0.96 5.36 0.02 2.17 1.01 -1.26 -0.20 121.20 129.25 3ffz s ILE 1129Ca -0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3ffz s ILE 1129Cb -0.10 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3ffz s ILE 1129CO -0.04 0.27 0.30 0.00 0.00 0.00 0.00 174.94 175.46 3ffz s GLN 1130N -2.08 0.73 0.24 2.79 -2.07 -0.52 -1.77 119.66 116.98 3ffz s GLN 1130Ca 0.30 -0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 53.18 3ffz s GLN 1130Cb -0.13 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 3ffz s GLN 1130CO 0.20 -0.22 1.17 1.03 -1.32 0.00 0.00 175.29 176.15 3ffz s ARG 1131N -1.97 4.54 -0.06 9.60 0.52 -1.26 -0.46 118.95 129.86 3ffz s ARG 1131Ca -0.09 1.88 -0.26 0.00 -0.52 0.00 0.00 55.73 56.74 3ffz s ARG 1131Cb -0.03 -3.20 -0.22 0.00 0.52 0.00 0.00 34.95 32.02 3ffz s ARG 1131CO 0.00 0.03 1.07 0.28 0.02 0.00 0.00 175.30 176.71 3ffz h VAL 1132N 3.40 1.54 -2.24 3.52 2.07 -1.87 -3.46 116.25 119.22 3ffz h VAL 1132Ca -0.46 -1.69 -0.52 0.00 0.82 0.00 0.00 66.70 64.85 3ffz h VAL 1132Cb 1.21 2.64 -0.06 0.00 -1.52 0.00 0.00 31.29 33.57 3ffz h VAL 1132CO 0.70 0.45 -0.55 0.20 0.02 0.00 0.00 177.57 178.39 3ffz s ASN 1133N -6.02 5.38 0.43 0.57 0.01 -1.26 -5.11 114.94 108.94 3ffz s ASN 1133Ca -0.17 -0.30 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 3ffz s ASN 1133Cb 0.00 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 3ffz s ASN 1133CO 0.70 -0.02 0.14 0.59 -1.51 0.00 0.00 177.10 177.00 3ffz n ASN 1134N -1.08 1.42 -3.17 -1.22 3.02 -1.26 -5.11 115.26 107.86 3ffz n ASN 1134Ca -0.08 -3.25 0.05 0.00 -0.03 0.00 0.00 54.58 51.27 3ffz n ASN 1134Cb 0.58 1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.73 3ffz n ASN 1134CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ffz s SER 1135N -3.62 -0.08 0.00 6.41 0.15 -1.26 -5.03 113.70 110.27 3ffz s SER 1135Ca 0.20 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3ffz s SER 1135Cb 0.01 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3ffz s SER 1135CO 0.14 -0.02 1.09 -1.20 1.20 0.00 0.00 173.24 174.45 3ffz n SER 1136N 4.95 2.95 -0.01 5.45 7.64 -1.26 -2.60 113.62 130.73 3ffz n SER 1136Ca -0.08 -1.73 -0.02 0.00 1.01 0.00 0.00 58.87 58.05 3ffz n SER 1136Cb 0.55 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 3ffz n SER 1136CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ffz n THR 1137N 1.55 0.13 -1.25 0.44 -2.24 -1.26 -5.10 114.28 106.54 3ffz n THR 1137Ca 0.00 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 3ffz n THR 1137Cb 0.30 -0.97 0.22 0.00 -2.10 0.00 0.00 70.33 67.78 3ffz n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ffz s ASN 1138N -4.63 1.48 0.96 3.42 6.03 -1.07 -5.04 114.94 116.09 3ffz s ASN 1138Ca -0.03 0.60 -0.12 0.00 -1.03 0.00 0.00 52.86 52.28 3ffz s ASN 1138Cb 0.01 -0.84 0.17 0.00 -3.03 0.00 0.00 41.25 37.56 3ffz s ASN 1138CO 0.05 -3.77 1.04 0.47 -2.03 0.00 0.00 177.10 172.86 3ffz n ASP 1139N -4.52 0.21 -1.32 3.54 8.00 -1.26 -4.98 116.55 116.22 3ffz n ASP 1139Ca 0.13 -1.45 -0.03 0.00 0.71 0.00 0.00 54.79 54.14 3ffz n ASP 1139Cb 0.59 -0.79 0.23 0.00 -0.02 0.00 0.00 41.12 41.13 3ffz n ASP 1139CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ffz n ASN 1140N -3.60 3.31 -4.58 -2.24 6.94 -1.26 -4.97 115.26 108.86 3ffz n ASN 1140Ca 0.13 -3.48 -0.35 0.00 -0.02 0.00 0.00 54.58 50.87 3ffz n ASN 1140Cb 0.47 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 37.13 3ffz n ASN 1140CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ffz s LEU 1141N -3.11 3.64 -0.29 -4.53 1.43 -1.26 -1.40 118.68 113.16 3ffz s LEU 1141Ca 0.47 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.31 3ffz s LEU 1141Cb 0.40 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3ffz s LEU 1141CO 0.05 0.14 0.89 -0.69 0.23 0.00 0.00 176.35 176.98 3ffz s VAL 1142N 0.55 4.72 0.29 -1.59 1.01 -0.16 -4.94 120.40 120.28 3ffz s VAL 1142Ca 0.02 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.53 3ffz s VAL 1142Cb -0.13 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 3ffz s VAL 1142CO 0.01 -0.27 0.37 -0.13 0.00 0.00 0.00 175.10 175.09 3ffz s ARG 1143N 3.13 3.16 0.61 2.72 0.52 -1.26 -0.53 118.95 127.30 3ffz s ARG 1143Ca 0.37 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3ffz s ARG 1143Cb -0.14 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3ffz s ARG 1143CO 0.12 0.24 0.93 1.17 0.02 0.00 0.00 175.30 177.77 3ffz n LYS 1144N -1.47 0.03 -0.97 3.54 3.00 -0.43 -1.96 118.16 119.90 3ffz n LYS 1144Ca -0.04 0.87 -0.00 0.00 -0.00 0.00 0.00 58.31 59.14 3ffz n LYS 1144Cb 0.58 -2.40 -0.01 0.00 0.00 0.00 0.00 35.03 33.20 3ffz n LYS 1144CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ffz n ASN 1145N -2.34 0.16 -4.77 3.14 3.02 -1.24 -3.92 115.26 109.31 3ffz n ASN 1145Ca 0.00 -1.85 -0.40 0.00 -0.03 0.00 0.00 54.58 52.30 3ffz n ASN 1145Cb 0.93 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 3ffz n ASN 1145CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ffz s ASP 1146N -1.21 6.66 -0.18 6.41 1.11 -0.83 -4.70 116.67 123.93 3ffz s ASP 1146Ca 0.12 2.67 -0.22 0.00 0.18 0.00 0.00 52.55 55.30 3ffz s ASP 1146Cb 0.14 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 3ffz s ASP 1146CO -0.06 -0.61 0.66 -1.10 1.18 0.00 0.00 175.17 175.24 3ffz s GLN 1147N -1.92 4.25 0.16 8.23 -0.21 -1.26 -1.99 119.66 126.92 3ffz s GLN 1147Ca 0.51 0.69 -0.02 0.00 0.02 0.00 0.00 55.36 56.56 3ffz s GLN 1147Cb -0.39 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 3ffz s GLN 1147CO 0.51 -0.22 0.12 0.14 -2.12 0.00 0.00 175.29 173.72 3ffz s VAL 1148N 1.82 0.06 -0.08 1.09 -7.23 0.19 -2.80 120.40 113.46 3ffz s VAL 1148Ca 0.31 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3ffz s VAL 1148Cb -0.16 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3ffz s VAL 1148CO 0.11 -0.28 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.19 3ffz s TYR 1149N -4.07 2.81 -0.40 2.82 2.02 0.39 -1.06 117.35 119.86 3ffz s TYR 1149Ca 0.28 -0.23 -0.10 0.00 -0.37 0.00 0.00 57.07 56.64 3ffz s TYR 1149Cb 0.07 -1.72 0.05 0.00 -0.40 0.00 0.00 41.96 39.96 3ffz s TYR 1149CO 0.05 0.12 0.23 0.42 -1.57 0.00 0.00 175.55 174.80 3ffz s ILE 1150N -0.43 4.44 -0.10 2.71 -1.09 -1.26 -1.44 121.20 124.03 3ffz s ILE 1150Ca 0.05 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.27 3ffz s ILE 1150Cb -0.12 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3ffz s ILE 1150CO 0.02 -0.36 0.24 0.20 -1.23 0.00 0.00 174.94 173.81 3ffz s ASN 1151N 1.83 6.51 -0.13 3.58 0.01 0.72 -2.26 114.94 125.20 3ffz s ASN 1151Ca 0.02 0.60 -0.27 0.00 -0.71 0.00 0.00 52.86 52.50 3ffz s ASN 1151Cb -0.21 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3ffz s ASN 1151CO 0.05 0.31 0.91 0.12 -1.51 0.00 0.00 177.10 176.98 3ffz s PHE 1152N -0.68 3.48 -0.20 2.20 5.36 0.16 -1.40 117.98 126.90 3ffz s PHE 1152Ca 0.17 1.43 -0.20 0.00 -0.96 0.00 0.00 56.93 57.37 3ffz s PHE 1152Cb -0.13 -3.08 -0.03 0.00 -0.34 0.00 0.00 43.02 39.43 3ffz s PHE 1152CO 0.06 -0.20 0.59 0.14 -1.46 0.00 0.00 175.22 174.36 3ffz s VAL 1153N 1.94 5.05 -0.10 3.12 -7.23 -0.63 -1.33 120.40 121.22 3ffz s VAL 1153Ca 0.43 1.11 0.21 0.00 -1.81 0.00 0.00 61.98 61.92 3ffz s VAL 1153Cb -0.18 -3.91 -0.25 0.00 0.56 0.00 0.00 36.38 32.60 3ffz s VAL 1153CO 0.16 0.13 0.52 0.00 -0.31 0.00 0.00 175.10 175.59 3ffz n ALA 1154N 5.00 2.40 -3.65 1.32 0.00 -0.82 -4.64 120.51 120.13 3ffz n ALA 1154Ca -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 3ffz n ALA 1154Cb 0.50 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 3ffz n ALA 1154CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ffz s SER 1155N -4.98 -0.13 0.00 0.00 1.04 -1.05 -4.94 113.70 103.64 3ffz s SER 1155Ca -0.07 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3ffz s SER 1155Cb 0.11 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.57 3ffz s SER 1155CO 0.87 -0.50 0.41 1.17 0.98 0.00 0.00 173.24 176.17 3ffz n LYS 1156N -0.41 0.34 0.00 4.02 4.81 -1.26 -2.49 118.16 123.17 3ffz n LYS 1156Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3ffz n LYS 1156Cb 0.61 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.62 3ffz n LYS 1156CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3ffz n THR 1157N -0.55 0.00 -4.68 3.15 -1.04 -1.26 -5.08 114.28 104.83 3ffz n THR 1157Ca 0.01 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.76 3ffz n THR 1157Cb 0.00 0.30 -0.16 0.00 -1.82 0.00 0.00 70.33 68.66 3ffz n THR 1157CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3ffz s HIS 1158N -0.48 1.39 0.10 -1.42 3.76 -1.04 -5.11 115.29 112.49 3ffz s HIS 1158Ca 0.00 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3ffz s HIS 1158Cb 0.00 -0.93 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 3ffz s HIS 1158CO 0.00 -0.10 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.23 3ffz s LEU 1159N -0.06 2.45 -0.00 0.89 1.43 -1.26 -1.94 118.68 120.18 3ffz s LEU 1159Ca -0.00 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3ffz s LEU 1159Cb -0.09 -0.03 -0.00 0.00 0.03 0.00 0.00 46.19 46.09 3ffz s LEU 1159CO 0.01 -0.50 0.05 -0.36 0.23 0.00 0.00 176.35 175.78 3ffz s PHE 1160N -3.67 0.07 1.04 0.29 0.40 -0.44 -4.93 117.98 110.73 3ffz s PHE 1160Ca 0.13 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 3ffz s PHE 1160Cb 0.06 -0.07 0.21 0.00 0.51 0.00 0.00 43.02 43.73 3ffz s PHE 1160CO -0.04 -0.15 1.07 -1.25 0.70 0.00 0.00 175.22 175.56 3ffz s PRO 1161N -0.80 0.09 -0.15 0.24 0.04 -1.26 0.36 135.00 133.52 3ffz s PRO 1161Ca -0.09 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.65 3ffz s PRO 1161Cb -0.05 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.82 3ffz s PRO 1161CO 0.00 -3.00 -0.21 -0.51 0.04 0.00 0.00 177.00 173.33 3ffz s LEU 1162N -6.68 2.06 0.09 -3.56 1.43 -0.96 -2.21 118.68 108.85 3ffz s LEU 1162Ca 0.66 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3ffz s LEU 1162Cb -0.21 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3ffz s LEU 1162CO 0.60 0.05 -0.10 -0.72 0.23 0.00 0.00 176.35 176.40 3ffz s TYR 1163N 0.98 1.04 0.03 0.29 -0.85 -0.72 -4.74 117.35 113.39 3ffz s TYR 1163Ca -0.03 -0.63 -0.23 0.00 -0.52 0.00 0.00 57.07 55.66 3ffz s TYR 1163Cb -0.15 -0.58 -0.06 0.00 0.38 0.00 0.00 41.96 41.56 3ffz s TYR 1163CO -0.05 -0.00 0.69 0.00 -1.52 0.00 0.00 175.55 174.67 3ffz s ALA 1164N -2.27 3.43 -0.91 9.51 0.00 -1.26 -1.17 121.76 129.08 3ffz s ALA 1164Ca 0.04 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 3ffz s ALA 1164Cb -0.04 -2.88 0.17 0.00 0.00 0.00 0.00 23.12 20.37 3ffz s ALA 1164CO 0.00 0.13 1.00 0.34 0.00 0.00 0.00 175.76 177.22 3ffz s ASP 1165N -0.19 6.72 0.00 0.00 2.15 0.11 -4.84 116.67 120.62 3ffz s ASP 1165Ca 0.35 -2.38 0.00 0.00 0.43 0.00 0.00 52.55 50.95 3ffz s ASP 1165Cb -0.20 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3ffz s ASP 1165CO 0.21 -0.83 0.72 0.35 -0.17 0.00 0.00 175.17 175.44 3ffz n THR 1166N 4.78 0.00 1.81 1.71 -2.24 -1.26 -3.47 114.28 115.60 3ffz n THR 1166Ca 0.20 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.13 3ffz n THR 1166Cb 0.48 -0.14 0.86 0.00 -2.10 0.00 0.00 70.33 69.42 3ffz n THR 1166CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ffz n ALA 1167N -0.46 2.58 -1.92 6.98 0.00 -1.26 -4.81 120.51 121.62 3ffz n ALA 1167Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 3ffz n ALA 1167Cb 0.01 -1.47 0.11 0.00 0.00 0.00 0.00 19.45 18.10 3ffz n ALA 1167CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ffz s THR 1168N -2.02 2.05 -0.63 0.00 2.01 -1.23 -4.99 115.64 110.83 3ffz s THR 1168Ca 0.43 -0.07 0.14 0.00 0.31 0.00 0.00 61.69 62.51 3ffz s THR 1168Cb 0.20 -2.98 -0.16 0.00 0.01 0.00 0.00 72.50 69.56 3ffz s THR 1168CO 0.34 0.00 0.59 0.35 -0.69 0.00 0.00 174.62 175.21 3ffz n THR 1169N -3.36 0.00 -2.61 -0.82 -2.24 -1.26 -4.99 114.28 99.00 3ffz n THR 1169Ca 0.10 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 3ffz n THR 1169Cb 0.60 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3ffz n THR 1169CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ffz s ASN 1170N -2.47 6.42 0.43 3.42 3.84 -1.26 -4.98 114.94 120.33 3ffz s ASN 1170Ca 0.05 1.16 0.21 0.00 0.21 0.00 0.00 52.86 54.48 3ffz s ASN 1170Cb 0.11 -2.34 0.97 0.00 -0.55 0.00 0.00 41.25 39.44 3ffz s ASN 1170CO 0.60 -0.54 1.88 0.07 -2.79 0.00 0.00 177.10 176.32 3ffz h LYS 1171N 0.71 0.00 -5.87 0.43 2.10 -1.97 -3.41 116.57 108.56 3ffz h LYS 1171Ca -0.47 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.60 3ffz h LYS 1171Cb 1.19 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.45 3ffz h LYS 1171CO 0.63 0.27 0.26 -1.21 -2.00 0.00 0.00 179.45 177.39 3ffz s GLU 1172N -3.95 4.29 -0.12 0.07 8.01 -1.26 -4.48 118.70 121.26 3ffz s GLU 1172Ca -0.02 0.87 -0.04 0.00 0.01 0.00 0.00 54.97 55.79 3ffz s GLU 1172Cb 0.12 -3.56 -0.04 0.00 -4.31 0.00 0.00 34.13 26.35 3ffz s GLU 1172CO 0.66 -0.24 0.03 0.15 0.01 0.00 0.00 175.26 175.87 3ffz s LYS 1173N 1.87 3.34 0.09 1.61 -0.14 -0.66 -4.94 119.74 120.92 3ffz s LYS 1173Ca 0.35 -0.36 -0.26 0.00 -1.36 0.00 0.00 55.97 54.35 3ffz s LYS 1173Cb -0.16 -2.96 -0.06 0.00 -1.68 0.00 0.00 37.83 32.96 3ffz s LYS 1173CO 0.13 0.58 0.80 0.99 -0.76 0.00 0.00 175.35 177.08 3ffz s THR 1174N -0.52 4.58 -0.09 2.17 2.01 -1.25 -0.44 115.64 122.10 3ffz s THR 1174Ca 0.10 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.57 3ffz s THR 1174Cb -0.12 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3ffz s THR 1174CO 0.02 0.41 0.78 -0.63 -0.69 0.00 0.00 174.62 174.51 3ffz s ILE 1175N -0.40 4.97 0.19 1.82 -1.09 -0.77 0.04 121.20 125.96 3ffz s ILE 1175Ca 0.39 1.59 0.07 0.00 -2.23 0.00 0.00 60.65 60.46 3ffz s ILE 1175Cb -0.22 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 3ffz s ILE 1175CO 0.25 0.16 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.46 3ffz s LYS 1176N 1.29 1.25 -0.21 2.79 1.02 -0.32 -3.34 119.74 122.21 3ffz s LYS 1176Ca 0.40 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.67 3ffz s LYS 1176Cb -0.18 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.14 3ffz s LYS 1176CO 0.18 0.14 0.42 0.42 -0.92 0.00 0.00 175.35 175.59 3ffz s ILE 1177N -3.09 5.17 -0.45 2.17 1.01 -0.13 -1.75 121.20 124.12 3ffz s ILE 1177Ca 0.21 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.31 3ffz s ILE 1177Cb 0.01 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3ffz s ILE 1177CO 0.05 0.22 1.10 -0.55 0.00 0.00 0.00 174.94 175.76 3ffz s SER 1178N 1.17 6.66 0.43 3.58 0.15 -0.94 -4.91 113.70 119.84 3ffz s SER 1178Ca 0.19 0.50 0.29 0.00 0.70 0.00 0.00 55.95 57.64 3ffz s SER 1178Cb -0.15 -2.54 1.17 0.00 -1.71 0.00 0.00 66.02 62.79 3ffz s SER 1178CO 0.08 -1.18 1.87 0.28 1.20 0.00 0.00 173.24 175.49 3ffz h SER 1179N 9.06 0.00 0.10 5.45 0.02 -1.93 -3.16 113.55 123.09 3ffz h SER 1179Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3ffz h SER 1179Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3ffz h SER 1179CO 1.10 0.00 -0.89 -1.54 -1.14 0.00 0.00 176.83 174.36 3ffz n SER 1180N -2.77 0.91 0.00 3.07 3.41 -1.26 -4.96 113.62 112.02 3ffz n SER 1180Ca 0.01 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 3ffz n SER 1180Cb 0.29 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 3ffz n SER 1180CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ffz n GLY 1181N 1.50 1.16 3.73 5.00 0.00 -1.19 -5.02 105.19 110.37 3ffz n GLY 1181Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ffz n GLY 1181CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ffz s ASN 1182N -2.98 6.83 0.09 1.61 2.47 -1.26 -4.75 114.94 116.94 3ffz s ASN 1182Ca 0.00 2.43 0.25 0.00 0.42 0.00 0.00 52.86 55.96 3ffz s ASN 1182Cb 0.00 -2.60 0.46 0.00 -1.45 0.00 0.00 41.25 37.66 3ffz s ASN 1182CO 0.00 -0.60 1.40 0.54 -3.72 0.00 0.00 177.10 174.72 3ffz n ARG 1183N 3.00 0.20 -3.20 0.43 5.12 -1.26 -4.84 116.66 116.12 3ffz n ARG 1183Ca 0.08 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.87 3ffz n ARG 1183Cb 0.42 -1.63 0.05 0.00 -1.16 0.00 0.00 32.46 30.14 3ffz n ARG 1183CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3ffz n PHE 1184N -1.93 -2.11 -4.04 -1.55 3.72 -1.26 -2.99 117.46 107.30 3ffz n PHE 1184Ca 0.04 0.68 -0.28 0.00 -0.05 0.00 0.00 57.45 57.84 3ffz n PHE 1184Cb 0.41 -4.24 -0.03 0.00 -0.94 0.00 0.00 39.48 34.68 3ffz n PHE 1184CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ffz n ASN 1185N -2.13 -0.83 -4.34 4.37 5.03 -1.26 -4.96 115.26 111.14 3ffz n ASN 1185Ca -0.04 -1.03 -0.21 0.00 0.87 0.00 0.00 54.58 54.17 3ffz n ASN 1185Cb 0.57 -2.87 -0.11 0.00 -1.02 0.00 0.00 39.78 36.36 3ffz n ASN 1185CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3ffz s GLN 1186N -6.71 1.31 0.08 3.52 -0.21 -1.16 -1.86 119.66 114.64 3ffz s GLN 1186Ca 0.16 -1.47 -0.09 0.00 0.02 0.00 0.00 55.36 53.98 3ffz s GLN 1186Cb -0.08 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.61 3ffz s GLN 1186CO 0.91 0.26 0.20 0.14 -2.12 0.00 0.00 175.29 174.67 3ffz s VAL 1187N -2.27 0.14 -0.04 1.09 -7.23 0.29 -4.85 120.40 107.54 3ffz s VAL 1187Ca 0.18 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3ffz s VAL 1187Cb -0.05 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.61 3ffz s VAL 1187CO 0.07 -0.61 -0.16 0.54 -0.31 0.00 0.00 175.10 174.63 3ffz s VAL 1188N -3.69 1.33 -0.17 1.32 0.11 -0.23 -0.76 120.40 118.32 3ffz s VAL 1188Ca 0.04 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 3ffz s VAL 1188Cb 0.04 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3ffz s VAL 1188CO -0.10 0.39 -0.02 0.54 -3.33 0.00 0.00 175.10 172.57 3ffz s VAL 1189N -0.00 3.96 0.56 2.04 0.11 0.40 0.57 120.40 128.03 3ffz s VAL 1189Ca -0.02 -0.33 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 3ffz s VAL 1189Cb -0.10 -2.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.94 3ffz s VAL 1189CO 0.02 0.47 0.98 -0.04 -3.33 0.00 0.00 175.10 173.20 3ffz s MET 1190N 0.54 3.73 -0.25 1.54 -1.94 -0.84 -1.46 119.30 120.62 3ffz s MET 1190Ca -0.02 0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 54.43 3ffz s MET 1190Cb -0.14 -2.14 0.17 0.00 2.01 0.00 0.00 34.83 34.73 3ffz s MET 1190CO 0.02 -0.41 1.25 1.21 -0.01 0.00 0.00 175.02 177.09 3ffz s ASN 1191N -3.73 -0.14 0.00 3.03 3.84 -1.17 -3.61 114.94 113.16 3ffz s ASN 1191Ca 0.56 0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.78 3ffz s ASN 1191Cb -0.11 0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 3ffz s ASN 1191CO 0.44 -0.13 0.00 -1.20 -2.79 0.00 0.00 177.10 173.42 3ffz n SER 1192N 0.58 1.59 -2.70 -4.21 7.64 -1.26 -0.86 113.62 114.41 3ffz n SER 1192Ca -0.03 -0.83 -0.06 0.00 1.01 0.00 0.00 58.87 58.96 3ffz n SER 1192Cb 0.59 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.88 3ffz n SER 1192CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3ffz n VAL 1193N 0.00 0.00 -1.37 0.44 3.14 -1.20 -4.94 118.33 114.40 3ffz n VAL 1193Ca 0.00 -1.06 0.00 0.00 -2.96 0.00 0.00 64.34 60.32 3ffz n VAL 1193Cb 0.00 1.28 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 3ffz n VAL 1193CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ffz n GLY 1194N 0.70 -4.63 2.08 7.55 0.00 -1.26 -4.31 105.19 105.31 3ffz n GLY 1194Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3ffz n GLY 1194CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ffz n ASN 1195N 0.97 0.00 -4.70 1.61 3.02 -1.26 -4.78 115.26 110.12 3ffz n ASN 1195Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 3ffz n ASN 1195Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3ffz n ASN 1195CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ffz s ASN 1196N 0.00 5.29 0.20 6.41 0.02 -1.26 -4.78 114.94 120.82 3ffz s ASN 1196Ca 0.00 0.13 0.07 0.00 -1.02 0.00 0.00 52.86 52.04 3ffz s ASN 1196Cb 0.00 -1.48 -0.04 0.00 0.02 0.00 0.00 41.25 39.75 3ffz s ASN 1196CO 0.00 0.35 0.08 0.00 0.02 0.00 0.00 177.10 177.55 3ffz s THR 1198N -1.88 1.38 -0.04 0.00 -4.23 -0.04 -0.91 115.64 109.93 3ffz s THR 1198Ca 0.30 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3ffz s THR 1198Cb -0.09 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.96 3ffz s THR 1198CO 0.21 -0.62 0.06 -0.04 -0.54 0.00 0.00 174.62 173.69 3ffz s MET 1199N -3.45 -0.04 -0.29 3.99 -1.94 -1.26 -3.05 119.30 113.25 3ffz s MET 1199Ca 0.16 0.31 -0.07 0.00 -1.71 0.00 0.00 55.69 54.38 3ffz s MET 1199Cb -0.00 -0.36 0.00 0.00 2.01 0.00 0.00 34.83 36.48 3ffz s MET 1199CO 0.03 -0.25 0.09 1.21 -0.01 0.00 0.00 175.02 176.09 3ffz s ASN 1200N 1.64 5.18 -0.02 3.03 2.47 -0.53 0.09 114.94 126.79 3ffz s ASN 1200Ca -0.02 -0.60 -0.24 0.00 0.42 0.00 0.00 52.86 52.42 3ffz s ASN 1200Cb -0.12 -1.91 -0.04 0.00 -1.45 0.00 0.00 41.25 37.73 3ffz s ASN 1200CO -0.03 -0.17 0.74 -0.36 -3.72 0.00 0.00 177.10 173.56 3ffz s PHE 1201N 1.54 3.64 0.09 0.43 0.08 0.45 -0.45 117.98 123.75 3ffz s PHE 1201Ca 0.04 1.36 -0.06 0.00 0.12 0.00 0.00 56.93 58.39 3ffz s PHE 1201Cb -0.17 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.44 3ffz s PHE 1201CO 0.03 0.15 0.13 0.15 -0.10 0.00 0.00 175.22 175.58 3ffz s LYS 1202N 0.50 0.83 0.23 0.44 1.02 0.06 0.11 119.74 122.93 3ffz s LYS 1202Ca 0.39 -1.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.18 3ffz s LYS 1202Cb -0.19 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.35 3ffz s LYS 1202CO 0.21 -0.24 0.55 1.21 -0.92 0.00 0.00 175.35 176.15 3ffz s ASN 1203N -2.91 6.62 0.65 2.83 3.84 -0.19 -0.55 114.94 125.23 3ffz s ASN 1203Ca 0.09 0.91 0.28 0.00 0.21 0.00 0.00 52.86 54.35 3ffz s ASN 1203Cb 0.06 -2.22 1.52 0.00 -0.55 0.00 0.00 41.25 40.06 3ffz s ASN 1203CO -0.08 -0.08 1.88 0.78 -2.79 0.00 0.00 177.10 176.81 3ffz h ASN 1204N 2.51 0.00 -0.01 -4.21 2.35 -1.70 0.13 115.58 114.65 3ffz h ASN 1204Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3ffz h ASN 1204Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3ffz h ASN 1204CO 0.69 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 176.01 3ffz n ASN 1205N -3.08 0.22 0.00 5.81 0.23 -1.26 -4.86 115.26 112.32 3ffz n ASN 1205Ca 0.01 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3ffz n ASN 1205Cb 0.48 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3ffz n ASN 1205CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ffz n GLY 1206N 0.43 2.46 3.70 4.83 0.00 0.44 -5.02 105.19 112.03 3ffz n GLY 1206Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3ffz n GLY 1206CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ffz n ASN 1207N 0.00 3.28 -4.55 1.61 5.15 -1.24 -4.77 115.26 114.74 3ffz n ASN 1207Ca 0.00 1.13 -0.42 0.00 -0.60 0.00 0.00 54.58 54.68 3ffz n ASN 1207Cb 0.00 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 37.69 3ffz n ASN 1207CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3ffz s ASN 1208N 0.55 6.41 -0.07 1.20 0.01 -1.26 -1.02 114.94 120.75 3ffz s ASN 1208Ca 0.69 -0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 52.60 3ffz s ASN 1208Cb -0.59 -2.35 -0.19 0.00 0.41 0.00 0.00 41.25 38.53 3ffz s ASN 1208CO 0.45 -0.73 0.91 0.40 -1.51 0.00 0.00 177.10 176.63 3ffz h ILE 1209N 5.80 1.26 0.00 0.60 1.08 0.46 -3.48 117.51 123.23 3ffz h ILE 1209Ca -0.26 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 3ffz h ILE 1209Cb 1.10 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 3ffz h ILE 1209CO 0.89 0.35 0.00 0.61 -0.69 0.00 0.00 178.15 179.31 3ffz n GLY 1210N 0.86 2.21 3.77 5.37 0.00 0.08 -4.01 105.19 113.48 3ffz n GLY 1210Ca -0.08 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3ffz n GLY 1210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ffz s LEU 1211N 0.00 4.49 -0.44 0.99 1.02 0.01 0.17 118.68 124.92 3ffz s LEU 1211Ca 0.00 1.41 -0.27 0.00 0.02 0.00 0.00 54.13 55.28 3ffz s LEU 1211Cb 0.00 -3.13 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 3ffz s LEU 1211CO 0.00 0.13 1.93 -0.22 0.02 0.00 0.00 176.35 178.20 3ffz s LEU 1212N -0.54 3.41 0.00 1.79 2.96 0.11 -1.61 118.68 124.80 3ffz s LEU 1212Ca 0.35 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 3ffz s LEU 1212Cb -0.21 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.45 3ffz s LEU 1212CO 0.22 -2.11 0.00 0.61 -1.32 0.00 0.00 176.35 173.75 3ffz n GLY 1213N 5.61 5.42 3.58 7.98 0.00 0.66 -4.51 105.19 123.93 3ffz n GLY 1213Ca 0.24 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 3ffz n GLY 1213CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ffz s PHE 1214N 2.72 -0.74 -0.20 1.61 -0.12 -1.26 -1.53 117.98 118.46 3ffz s PHE 1214Ca 0.00 1.81 -0.01 0.00 -0.05 0.00 0.00 56.93 58.68 3ffz s PHE 1214Cb 0.00 0.26 0.01 0.00 -0.63 0.00 0.00 43.02 42.66 3ffz s PHE 1214CO 0.00 -0.36 -0.13 0.21 -0.05 0.00 0.00 175.22 174.89 3ffz s LYS 1215N 0.38 3.14 4.60 1.99 2.36 -0.94 -4.89 119.74 126.37 3ffz s LYS 1215Ca -0.00 -0.75 0.00 0.00 -2.55 0.00 0.00 55.97 52.67 3ffz s LYS 1215Cb -0.05 -2.77 0.00 0.00 -1.05 0.00 0.00 37.83 33.96 3ffz s LYS 1215CO 0.01 -0.21 0.00 0.00 1.55 0.00 0.00 175.35 176.69 3ffz n ALA 1216N 4.69 0.00 -2.77 3.13 0.00 -1.26 -2.42 120.51 121.89 3ffz n ALA 1216Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ffz n ALA 1216Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.00 3ffz n ALA 1216CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ffz n ASP 1217N 9.01 1.26 -3.94 0.00 5.68 -1.26 -4.96 116.55 122.34 3ffz n ASP 1217Ca 0.00 -2.03 -0.19 0.00 -0.50 0.00 0.00 54.79 52.07 3ffz n ASP 1217Cb 0.00 -0.37 -0.16 0.00 -1.14 0.00 0.00 41.12 39.45 3ffz n ASP 1217CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3ffz s THR 1218N -2.96 0.58 0.14 2.12 -1.32 -1.02 -1.28 115.64 111.91 3ffz s THR 1218Ca 0.27 -0.21 -0.31 0.00 -1.21 0.00 0.00 61.69 60.22 3ffz s THR 1218Cb 0.33 -0.56 -0.09 0.00 -1.51 0.00 0.00 72.50 70.67 3ffz s THR 1218CO -0.06 0.21 1.54 -0.69 -2.21 0.00 0.00 174.62 173.40 3ffz s VAL 1219N 0.49 2.82 0.35 5.08 1.01 -0.13 -2.21 120.40 127.80 3ffz s VAL 1219Ca -0.07 0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.51 3ffz s VAL 1219Cb -0.10 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3ffz s VAL 1219CO 0.00 0.04 0.16 0.68 0.00 0.00 0.00 175.10 175.98 3ffz s VAL 1220N 1.33 0.41 -0.17 2.92 -7.23 -0.58 -1.84 120.40 115.24 3ffz s VAL 1220Ca 0.69 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 3ffz s VAL 1220Cb -0.42 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.10 3ffz s VAL 1220CO 0.31 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 175.00 3ffz s ALA 1221N -3.42 1.78 0.02 1.32 0.00 0.42 -0.25 121.76 121.63 3ffz s ALA 1221Ca 0.32 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3ffz s ALA 1221Cb 0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 3ffz s ALA 1221CO 0.18 -0.64 -0.12 0.45 0.00 0.00 0.00 175.76 175.63 3ffz s SER 1222N 1.51 1.37 0.14 0.00 0.15 -0.63 -1.65 113.70 114.58 3ffz s SER 1222Ca 0.02 -0.35 0.26 0.00 0.70 0.00 0.00 55.95 56.58 3ffz s SER 1222Cb -0.15 -0.10 0.72 0.00 -1.71 0.00 0.00 66.02 64.78 3ffz s SER 1222CO -0.09 0.05 1.64 0.35 1.20 0.00 0.00 173.24 176.39 3ffz n THR 1223N 2.26 0.39 -0.35 6.45 -2.24 -1.26 -0.81 114.28 118.72 3ffz n THR 1223Ca -0.17 -0.22 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 3ffz n THR 1223Cb 0.55 -0.38 0.28 0.00 -2.10 0.00 0.00 70.33 68.69 3ffz n THR 1223CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3ffz h TRP 1224N 0.00 1.10 0.00 4.78 7.01 -1.94 -2.14 115.95 124.76 3ffz h TRP 1224Ca 0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 3ffz h TRP 1224Cb 0.69 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3ffz h TRP 1224CO 0.00 0.36 -0.01 1.88 -2.79 0.00 0.00 178.44 177.89 3ffz h TYR 1225N 0.89 0.00 -0.77 2.65 0.05 -1.93 -2.95 116.97 114.91 3ffz h TYR 1225Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.31 3ffz h TYR 1225Cb 0.66 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 3ffz h TYR 1225CO -0.00 0.01 0.49 1.88 -1.05 0.00 0.00 178.16 179.48 3ffz h TYR 1226N 0.00 0.99 -0.44 4.88 0.99 -1.65 -0.06 116.97 121.68 3ffz h TYR 1226Ca -0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3ffz h TYR 1226Cb 0.05 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 37.45 3ffz h TYR 1226CO 0.00 0.64 0.00 0.25 -0.00 0.00 0.00 178.16 179.05 3ffz n THR 1227N -4.52 0.59 0.00 -2.88 -2.24 -1.12 -4.43 114.28 99.68 3ffz n THR 1227Ca 0.07 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3ffz n THR 1227Cb 0.04 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3ffz n THR 1227CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ffz n HIS 1228N 1.49 0.00 0.15 4.78 8.25 -1.17 -4.59 115.22 124.13 3ffz n HIS 1228Ca 0.20 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.67 3ffz n HIS 1228Cb 0.60 0.00 0.33 0.00 1.12 0.00 0.00 29.99 32.04 3ffz n HIS 1228CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ffz h MET 1229N 0.00 0.09 -6.08 -0.41 3.00 -1.22 -3.37 114.93 106.94 3ffz h MET 1229Ca 0.00 -0.04 -0.72 0.00 0.00 0.00 0.00 59.70 58.95 3ffz h MET 1229Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 31.60 31.59 3ffz h MET 1229CO 0.00 0.43 1.12 0.54 0.00 0.00 0.00 176.91 179.00 3ffz n ARG 1230N -4.11 1.04 0.00 -0.10 3.00 -1.26 -3.42 116.66 111.82 3ffz n ARG 1230Ca -0.02 0.35 0.00 0.00 -0.01 0.00 0.00 57.85 58.17 3ffz n ARG 1230Cb 0.40 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.69 3ffz n ARG 1230CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ffz n ASP 1231N 7.06 0.00 0.00 0.55 10.43 -1.26 -4.76 116.55 128.57 3ffz n ASP 1231Ca 0.34 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.70 3ffz n ASP 1231Cb 0.15 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.11 3ffz n ASP 1231CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ffz n HIS 1232N 0.00 0.00 -3.36 1.24 1.44 -1.22 -5.09 115.22 108.23 3ffz n HIS 1232Ca 0.00 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.50 3ffz n HIS 1232Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 3ffz n HIS 1232CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3ffz n THR 1233N 0.00 -6.52 0.00 0.61 -1.04 -1.26 -3.64 114.28 102.43 3ffz n THR 1233Ca 0.00 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3ffz n THR 1233Cb 0.00 -4.84 0.00 0.00 -1.82 0.00 0.00 70.33 63.67 3ffz n THR 1233CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ffz n ASN 1234N -1.18 0.00 -4.03 8.00 4.13 -1.26 -4.90 115.26 116.03 3ffz n ASN 1234Ca -0.09 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.85 3ffz n ASN 1234Cb 0.60 -0.08 -0.14 0.00 -1.54 0.00 0.00 39.78 38.62 3ffz n ASN 1234CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ffz s SER 1235N -0.22 4.78 -0.31 6.41 0.01 -1.24 -4.81 113.70 118.32 3ffz s SER 1235Ca 0.00 -2.33 0.08 0.00 1.31 0.00 0.00 55.95 55.01 3ffz s SER 1235Cb 0.00 -1.67 0.49 0.00 0.21 0.00 0.00 66.02 65.04 3ffz s SER 1235CO 0.00 -0.38 1.43 -3.20 0.41 0.00 0.00 173.24 171.50 3ffz n ASN 1236N 4.05 3.01 -0.07 2.44 5.15 -1.26 -4.58 115.26 124.00 3ffz n ASN 1236Ca 0.03 -3.81 0.15 0.00 -0.60 0.00 0.00 54.58 50.36 3ffz n ASN 1236Cb 0.40 -0.60 0.77 0.00 -0.53 0.00 0.00 39.78 39.81 3ffz n ASN 1236CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ffz n GLY 1237N -1.06 -0.99 0.89 8.20 0.00 -1.26 -3.48 105.19 107.49 3ffz n GLY 1237Ca 0.35 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3ffz n GLY 1237CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffz s PHE 1239N -1.60 3.37 0.17 0.00 2.99 -1.23 -4.38 117.98 117.29 3ffz s PHE 1239Ca 0.35 0.37 0.06 0.00 0.00 0.00 0.00 56.93 57.71 3ffz s PHE 1239Cb 0.20 -2.30 -0.04 0.00 0.00 0.00 0.00 43.02 40.88 3ffz s PHE 1239CO 0.28 0.13 -0.12 -1.58 -0.00 0.00 0.00 175.22 173.93 3ffz s TRP 1240N 0.86 1.47 0.09 0.36 0.52 -0.08 -1.01 118.94 121.15 3ffz s TRP 1240Ca 0.11 -0.65 0.08 0.00 0.02 0.00 0.00 56.10 55.65 3ffz s TRP 1240Cb -0.13 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 3ffz s TRP 1240CO 0.03 0.20 -0.20 -0.80 0.02 0.00 0.00 176.95 176.21 3ffz s ASN 1241N -3.13 2.47 -0.27 2.95 0.01 0.02 0.57 114.94 117.56 3ffz s ASN 1241Ca 0.18 -0.64 -0.07 0.00 -0.71 0.00 0.00 52.86 51.62 3ffz s ASN 1241Cb 0.00 -0.15 -0.00 0.00 0.41 0.00 0.00 41.25 41.51 3ffz s ASN 1241CO 0.03 0.08 0.07 -0.36 -1.51 0.00 0.00 177.10 175.41 3ffz s PHE 1242N -1.07 3.11 -0.16 2.20 0.08 -1.26 -2.08 117.98 118.79 3ffz s PHE 1242Ca 0.06 -0.80 -0.10 0.00 0.12 0.00 0.00 56.93 56.22 3ffz s PHE 1242Cb -0.10 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3ffz s PHE 1242CO 0.04 -0.51 0.18 0.42 -0.10 0.00 0.00 175.22 175.24 3ffz s ILE 1243N 1.54 5.40 -0.15 0.64 1.01 0.19 -1.53 121.20 128.30 3ffz s ILE 1243Ca 0.04 0.29 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3ffz s ILE 1243Cb -0.16 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3ffz s ILE 1243CO 0.02 0.49 -0.20 -0.94 0.00 0.00 0.00 174.94 174.31 3ffz s SER 1244N -0.09 3.28 -0.16 3.58 1.04 -1.26 0.14 113.70 120.23 3ffz s SER 1244Ca 0.12 -0.57 -0.33 0.00 0.48 0.00 0.00 55.95 55.66 3ffz s SER 1244Cb -0.12 -1.48 -0.10 0.00 0.10 0.00 0.00 66.02 64.42 3ffz s SER 1244CO 0.02 0.07 2.03 1.21 0.98 0.00 0.00 173.24 177.55 3ffz n GLU 1245N 4.12 1.96 -4.07 4.02 2.13 -1.26 -4.94 120.64 122.59 3ffz n GLU 1245Ca -0.20 0.66 -0.13 0.00 0.66 0.00 0.00 57.16 58.15 3ffz n GLU 1245Cb 0.51 -2.76 -0.11 0.00 0.27 0.00 0.00 31.44 29.35 3ffz n GLU 1245CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3ffz s GLU 1246N 5.04 0.56 0.50 5.31 2.02 -1.26 -5.04 118.70 125.83 3ffz s GLU 1246Ca 0.98 -0.81 0.23 0.00 0.02 0.00 0.00 54.97 55.39 3ffz s GLU 1246Cb -0.63 -0.29 1.31 0.00 0.10 0.00 0.00 34.13 34.62 3ffz s GLU 1246CO 0.47 0.04 1.97 1.25 0.02 0.00 0.00 175.26 179.01 3ffz h HIS 1247N 4.36 0.14 0.00 1.61 -0.00 -1.97 -2.13 115.15 117.15 3ffz h HIS 1247Ca -0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3ffz h HIS 1247Cb 1.20 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3ffz h HIS 1247CO 0.64 0.05 -0.02 0.78 -0.00 0.00 0.00 177.93 179.39 3ffz h GLY 1248N 0.12 0.00 -7.27 5.26 0.00 -1.98 -3.32 103.07 95.88 3ffz h GLY 1248Ca 0.30 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 47.00 3ffz h GLY 1248CO -0.04 0.00 -0.63 0.86 0.00 0.00 0.00 176.54 176.73 3ffz s TRP 1249N -4.81 3.11 0.00 5.60 -0.11 -0.80 -1.10 118.94 120.82 3ffz s TRP 1249Ca -0.05 -3.12 0.00 0.00 1.22 0.00 0.00 56.10 54.15 3ffz s TRP 1249Cb 0.16 -2.68 0.00 0.00 -1.50 0.00 0.00 33.47 29.45 3ffz s TRP 1249CO 0.61 -0.71 0.14 0.94 -4.62 0.00 0.00 176.95 173.32 3ffz n GLN 1250N 2.93 0.00 -3.69 5.86 -0.06 -1.25 -4.69 117.38 116.48 3ffz n GLN 1250Ca 0.08 0.14 -0.23 0.00 -2.00 0.00 0.00 57.00 55.00 3ffz n GLN 1250Cb 0.33 -0.64 0.03 0.00 -4.06 0.00 0.00 30.24 25.90 3ffz n GLN 1250CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3ffz n GLU 1251N -0.29 -4.02 0.00 3.69 2.13 -1.26 -5.04 120.64 115.85 3ffz n GLU 1251Ca 0.00 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3ffz n GLU 1251Cb 0.00 -5.01 0.00 0.00 0.27 0.00 0.00 31.44 26.70 3ffz n GLU 1251CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35