#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x54 s VAL 2 N 0.00 4.42 0.62 0.00 1.01 -1.26 -4.50 120.40 120.69 2x54 s VAL 2 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.62 2x54 s VAL 2 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2x54 s VAL 2 CO 0.00 -1.03 1.05 0.00 0.00 0.00 0.00 175.10 175.12 2x54 s ARG 3 N -5.20 3.27 -0.08 2.72 3.03 -1.26 -4.75 118.95 116.68 2x54 s ARG 3 Ca 0.56 1.09 0.01 0.00 2.03 0.00 0.00 55.73 59.42 2x54 s ARG 3 Cb -0.11 -2.03 0.02 0.00 -1.03 0.00 0.00 34.95 31.79 2x54 s ARG 3 CO 0.54 -0.84 -0.09 -0.65 -1.13 0.00 0.00 175.30 173.12 2x54 s GLN 4 N -4.39 1.52 -0.15 3.89 -1.52 0.42 -4.99 119.66 114.43 2x54 s GLN 4 Ca 0.61 -0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 53.68 2x54 s GLN 4 Cb -0.15 -1.41 -0.02 0.00 -0.22 0.00 0.00 33.01 31.21 2x54 s GLN 4 CO 0.42 -0.10 -0.06 0.71 -0.25 0.00 0.00 175.29 176.01 2x54 s TYR 5 N 1.11 2.98 -0.07 0.91 2.02 -1.26 -1.08 117.35 121.96 2x54 s TYR 5 Ca -0.06 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 2x54 s TYR 5 Cb -0.14 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.51 2x54 s TYR 5 CO -0.01 -0.09 0.05 0.15 -1.57 0.00 0.00 175.55 174.08 2x54 s LYS 6 N 0.39 0.09 -0.00 -0.62 1.02 -1.06 -2.33 119.74 117.23 2x54 s LYS 6 Ca -0.05 0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.91 2x54 s LYS 6 Cb -0.15 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2x54 s LYS 6 CO 0.03 -0.39 0.81 0.42 -0.92 0.00 0.00 175.35 175.31 2x54 s ILE 7 N 2.12 4.87 -0.12 2.17 -1.09 -0.67 -0.87 121.20 127.61 2x54 s ILE 7 Ca 0.04 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 2x54 s ILE 7 Cb -0.13 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2x54 s ILE 7 CO -0.04 0.27 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.72 2x54 s HIS 8 N 0.54 2.65 0.02 3.97 3.76 -0.36 -1.21 115.29 124.67 2x54 s HIS 8 Ca 0.42 -1.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.01 2x54 s HIS 8 Cb -0.20 -1.78 -0.17 0.00 1.11 0.00 0.00 32.58 31.55 2x54 s HIS 8 CO 0.23 -0.44 1.34 1.79 -0.85 0.00 0.00 174.74 176.80 2x54 h THR 9 N 5.69 0.68 -2.56 1.30 1.35 -1.57 -2.80 112.91 115.00 2x54 h THR 9 Ca -0.25 -0.46 -0.44 0.00 -0.55 0.00 0.00 66.41 64.71 2x54 h THR 9 Cb 1.22 0.91 -0.37 0.00 -1.73 0.00 0.00 68.15 68.17 2x54 h THR 9 CO 0.51 0.09 -0.72 0.21 -0.25 0.00 0.00 175.52 175.37 2x54 s ASN 10 N -4.99 2.72 0.61 5.36 2.47 -1.26 -4.67 114.94 115.17 2x54 s ASN 10 Ca -0.15 -1.02 -0.15 0.00 0.42 0.00 0.00 52.86 51.97 2x54 s ASN 10 Cb 0.03 -0.00 -0.03 0.00 -1.45 0.00 0.00 41.25 39.80 2x54 s ASN 10 CO 0.57 -0.41 1.05 -0.22 -3.72 0.00 0.00 177.10 174.37 2x54 s LEU 11 N 2.21 3.43 0.00 3.21 0.20 -1.26 -3.45 118.68 123.01 2x54 s LEU 11 Ca 0.09 1.74 0.00 0.00 0.69 0.00 0.00 54.13 56.65 2x54 s LEU 11 Cb -0.15 -4.52 0.00 0.00 -0.43 0.00 0.00 46.19 41.09 2x54 s LEU 11 CO -0.33 -1.16 0.00 -0.90 -0.29 0.00 0.00 176.35 173.66 2x54 n ASP 12 N -2.24 -3.64 -4.22 3.68 3.85 -1.26 -4.96 116.55 107.76 2x54 n ASP 12 Ca 0.08 0.00 -0.19 0.00 -0.71 0.00 0.00 54.79 53.97 2x54 n ASP 12 Cb 0.53 -1.99 -0.12 0.00 -1.35 0.00 0.00 41.12 38.19 2x54 n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2x54 s GLY 13 N -2.00 1.02 0.41 6.12 0.00 -1.22 -5.05 107.32 106.59 2x54 s GLY 13 Ca 0.00 -1.16 0.12 0.00 0.00 0.00 0.00 44.72 43.68 2x54 s GLY 13 CO 0.00 -1.19 1.95 -0.91 0.00 0.00 0.00 173.10 172.94 2x54 h THR 14 N 3.95 1.16 -0.59 0.90 1.35 -1.93 -2.98 112.91 114.76 2x54 h THR 14 Ca -0.41 -0.71 -0.33 0.00 -0.55 0.00 0.00 66.41 64.40 2x54 h THR 14 Cb 1.19 1.26 -0.18 0.00 -1.73 0.00 0.00 68.15 68.69 2x54 h THR 14 CO 0.44 0.22 0.42 -0.90 -0.25 0.00 0.00 175.52 175.45 2x54 n ASP 15 N -4.30 4.19 -4.78 5.36 5.68 -1.26 -4.97 116.55 116.47 2x54 n ASP 15 Ca -0.01 -3.01 -0.36 0.00 -0.50 0.00 0.00 54.79 50.90 2x54 n ASP 15 Cb 0.26 -0.78 -0.03 0.00 -1.14 0.00 0.00 41.12 39.42 2x54 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x54 s ASP 16 N -0.34 6.58 -0.05 -1.12 2.15 -1.13 -4.56 116.67 118.20 2x54 s ASP 16 Ca 0.35 2.04 -0.02 0.00 0.43 0.00 0.00 52.55 55.35 2x54 s ASP 16 Cb 0.29 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.36 2x54 s ASP 16 CO 0.05 -0.62 0.09 -0.75 -0.17 0.00 0.00 175.17 173.77 2x54 s LYS 17 N -2.71 -0.01 -0.10 4.34 2.20 -1.26 -4.95 119.74 117.25 2x54 s LYS 17 Ca 0.61 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2x54 s LYS 17 Cb -0.21 -0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 35.75 2x54 s LYS 17 CO 0.26 -0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 174.97 2x54 s VAL 18 N 1.72 3.31 -0.17 4.02 1.01 -1.26 -1.47 120.40 127.55 2x54 s VAL 18 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2x54 s VAL 18 Cb -0.12 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2x54 s VAL 18 CO -0.04 0.56 -0.09 0.26 0.00 0.00 0.00 175.10 175.78 2x54 s TRP 19 N -0.22 2.89 -0.48 5.22 0.52 -0.35 -5.01 118.94 121.51 2x54 s TRP 19 Ca 0.02 -0.80 -0.22 0.00 0.02 0.00 0.00 56.10 55.11 2x54 s TRP 19 Cb -0.13 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.26 2x54 s TRP 19 CO 0.03 -0.37 0.78 0.34 0.02 0.00 0.00 176.95 177.75 2x54 s ASP 20 N 0.87 6.35 0.00 2.95 -1.08 -1.26 -1.67 116.67 122.84 2x54 s ASP 20 Ca -0.02 -0.32 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 2x54 s ASP 20 Cb -0.15 -2.38 1.25 0.00 -1.46 0.00 0.00 42.92 40.18 2x54 s ASP 20 CO 0.00 -0.97 1.85 1.33 0.52 0.00 0.00 175.17 177.91 2x54 n VAL 21 N 6.04 0.01 -0.13 1.11 0.24 -0.99 -1.52 118.33 123.09 2x54 n VAL 21 Ca 0.00 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 2x54 n VAL 21 Cb 0.48 0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.97 2x54 n VAL 21 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2x54 n THR 22 N -0.12 1.52 -0.01 3.34 -1.04 -1.18 -0.36 114.28 116.42 2x54 n THR 22 Ca 0.20 -0.46 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 2x54 n THR 22 Cb 0.29 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.05 2x54 n THR 22 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x54 n ASN 23 N -3.81 3.07 -2.55 8.00 3.02 -1.25 -4.99 115.26 116.75 2x54 n ASN 23 Ca -0.50 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2x54 n ASN 23 Cb 0.93 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 41.30 2x54 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 24 N 2.15 -2.47 0.22 7.41 0.00 -0.58 -4.97 105.19 106.96 2x54 n GLY 24 Ca -0.05 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.49 2x54 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 h LYS 25 N 0.00 0.44 -4.87 1.61 1.79 -1.87 -3.42 116.57 110.25 2x54 h LYS 25 Ca 0.00 -0.21 -0.67 0.00 -2.18 0.00 0.00 60.65 57.59 2x54 h LYS 25 Cb 0.00 -0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.36 2x54 h LYS 25 CO 0.00 0.76 -0.69 0.54 -1.08 0.00 0.00 179.45 178.98 2x54 s VAL 26 N -4.24 3.43 0.05 0.50 0.11 -1.26 -0.65 120.40 118.33 2x54 s VAL 26 Ca -0.06 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.27 2x54 s VAL 26 Cb 0.13 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.22 2x54 s VAL 26 CO 0.80 0.18 -0.23 -0.13 -3.33 0.00 0.00 175.10 172.39 2x54 s ARG 27 N 1.42 1.91 -0.13 1.54 0.52 0.68 -4.01 118.95 120.88 2x54 s ARG 27 Ca 0.02 -1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 2x54 s ARG 27 Cb -0.17 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 2x54 s ARG 27 CO -0.01 0.52 0.27 -0.06 0.02 0.00 0.00 175.30 176.04 2x54 s PHE 28 N -0.87 3.53 0.03 -0.53 0.40 0.51 -0.91 117.98 120.15 2x54 s PHE 28 Ca 0.13 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 2x54 s PHE 28 Cb -0.10 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 2x54 s PHE 28 CO 0.04 0.41 -0.05 0.71 0.70 0.00 0.00 175.22 177.02 2x54 s TYR 29 N -0.11 0.47 -0.74 0.36 2.02 -1.19 -4.73 117.35 113.44 2x54 s TYR 29 Ca 0.17 -0.53 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2x54 s TYR 29 Cb -0.13 -0.30 0.01 0.00 -0.40 0.00 0.00 41.96 41.14 2x54 s TYR 29 CO 0.05 -0.14 0.64 1.04 -1.57 0.00 0.00 175.55 175.56 2x54 n GLN 30 N 1.48 -1.58 -1.76 -0.62 6.02 -1.26 -1.21 117.38 118.45 2x54 n GLN 30 Ca -0.23 1.11 -0.41 0.00 -0.01 0.00 0.00 57.00 57.45 2x54 n GLN 30 Cb 0.55 -3.34 -0.01 0.00 1.02 0.00 0.00 30.24 28.46 2x54 n GLN 30 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2x54 n PRO 31 N -1.97 2.68 0.30 -1.09 -0.04 -1.26 -4.57 135.00 129.05 2x54 n PRO 31 Ca -0.19 0.95 -0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2x54 n PRO 31 Cb 0.63 -2.71 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 2x54 n PRO 31 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2x54 h SER 32 N 4.02 -0.87 -3.35 3.54 4.64 -1.47 -3.45 113.55 116.61 2x54 h SER 32 Ca -0.48 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 2x54 h SER 32 Cb 1.23 0.25 -0.30 0.00 -0.31 0.00 0.00 62.40 63.27 2x54 h SER 32 CO 0.73 -0.53 -0.50 0.21 -0.87 0.00 0.00 176.83 175.87 2x54 s ASN 33 N -3.51 -0.22 0.00 4.97 2.47 -1.26 -4.99 114.94 112.40 2x54 s ASN 33 Ca -0.13 0.49 0.11 0.00 0.42 0.00 0.00 52.86 53.75 2x54 s ASN 33 Cb 0.02 0.38 0.02 0.00 -1.45 0.00 0.00 41.25 40.22 2x54 s ASN 33 CO 0.41 -0.17 0.72 0.18 -3.72 0.00 0.00 177.10 174.52 2x54 n LEU 34 N 4.25 1.46 0.00 3.21 4.77 -1.26 -4.65 117.00 124.79 2x54 n LEU 34 Ca -0.25 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 2x54 n LEU 34 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2x54 n LEU 34 CO 0.14 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2x54 n GLY 35 N 0.83 0.83 3.53 -0.72 0.00 -1.26 -4.85 105.19 103.55 2x54 n GLY 35 Ca 0.05 -1.38 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 2x54 n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2x54 s LEU 36 N 0.00 -0.59 -0.18 0.99 0.05 -1.26 -4.77 118.68 112.93 2x54 s LEU 36 Ca 0.00 0.91 -0.07 0.00 0.05 0.00 0.00 54.13 55.02 2x54 s LEU 36 Cb 0.00 2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 46.53 2x54 s LEU 36 CO 0.00 -0.48 0.06 -1.10 -0.55 0.00 0.00 176.35 174.28 2x54 s GLN 37 N -0.69 3.95 -0.04 1.48 1.11 -0.80 -5.01 119.66 119.67 2x54 s GLN 37 Ca -0.08 -0.34 0.07 0.00 0.01 0.00 0.00 55.36 55.02 2x54 s GLN 37 Cb -0.02 -3.20 -0.02 0.00 -1.01 0.00 0.00 33.01 28.76 2x54 s GLN 37 CO 0.07 0.30 -0.24 0.45 0.01 0.00 0.00 175.29 175.87 2x54 s SER 38 N 0.30 3.16 -0.35 5.90 0.15 -1.26 -0.01 113.70 121.59 2x54 s SER 38 Ca 0.03 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2x54 s SER 38 Cb -0.12 -0.57 0.10 0.00 -1.71 0.00 0.00 66.02 63.71 2x54 s SER 38 CO 0.00 0.30 0.07 0.28 1.20 0.00 0.00 173.24 175.09 2x54 s THR 39 N -0.46 2.51 -1.27 6.45 -1.32 -0.95 -4.98 115.64 115.62 2x54 s THR 39 Ca 0.05 -2.23 0.29 0.00 -1.21 0.00 0.00 61.69 58.59 2x54 s THR 39 Cb -0.11 -2.79 0.35 0.00 -1.51 0.00 0.00 72.50 68.44 2x54 s THR 39 CO 0.01 -0.58 1.90 0.59 -2.21 0.00 0.00 174.62 174.33 2x54 n ASN 40 N 4.34 0.15 -3.69 8.08 3.02 -1.26 -1.87 115.26 124.02 2x54 n ASN 40 Ca 0.01 -0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.33 2x54 n ASN 40 Cb 0.42 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 2x54 n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x54 n ASN 41 N -1.32 -2.34 -4.67 6.41 3.02 -1.26 -2.60 115.26 112.50 2x54 n ASN 41 Ca 0.11 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 2x54 n ASN 41 Cb 0.29 -4.26 -0.04 0.00 -0.61 0.00 0.00 39.78 35.17 2x54 n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x54 s ILE 42 N -3.53 4.89 -0.11 2.41 1.01 -1.26 -2.83 121.20 121.78 2x54 s ILE 42 Ca 0.17 1.63 0.03 0.00 0.00 0.00 0.00 60.65 62.47 2x54 s ILE 42 Cb -0.08 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 2x54 s ILE 42 CO 0.80 0.04 -0.21 0.86 0.00 0.00 0.00 174.94 176.43 2x54 s TRP 43 N 2.09 2.63 -0.18 3.97 -0.11 -0.39 -5.00 118.94 121.95 2x54 s TRP 43 Ca 0.38 -0.92 -0.05 0.00 1.22 0.00 0.00 56.10 56.74 2x54 s TRP 43 Cb -0.17 -1.75 -0.03 0.00 -1.50 0.00 0.00 33.47 30.03 2x54 s TRP 43 CO 0.13 -0.35 -0.00 -0.65 -4.62 0.00 0.00 176.95 171.45 2x54 s GLN 44 N 0.33 3.69 -0.20 5.86 -0.21 -1.26 -1.72 119.66 126.15 2x54 s GLN 44 Ca -0.16 -0.49 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 2x54 s GLN 44 Cb -0.17 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 2x54 s GLN 44 CO 0.08 0.12 -0.07 0.45 -2.12 0.00 0.00 175.29 173.75 2x54 s SER 45 N 0.71 4.13 -1.54 5.90 0.15 -0.25 -4.77 113.70 118.04 2x54 s SER 45 Ca -0.00 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.18 2x54 s SER 45 Cb -0.14 -1.69 0.05 0.00 -1.71 0.00 0.00 66.02 62.52 2x54 s SER 45 CO 0.02 0.01 0.41 -3.20 1.20 0.00 0.00 173.24 171.68 2x54 n ASN 46 N 4.62 -0.76 0.00 5.45 5.15 -1.26 -1.25 115.26 127.21 2x54 n ASN 46 Ca -0.19 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 2x54 n ASN 46 Cb 0.51 -2.55 0.00 0.00 -0.53 0.00 0.00 39.78 37.21 2x54 n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x54 n GLY 47 N -1.95 3.02 3.75 8.20 0.00 -1.26 -5.00 105.19 111.94 2x54 n GLY 47 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2x54 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x54 s ILE 48 N -1.27 4.52 -0.20 -0.61 1.01 -0.38 -5.05 121.20 119.21 2x54 s ILE 48 Ca 0.00 1.82 -0.08 0.00 0.00 0.00 0.00 60.65 62.39 2x54 s ILE 48 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2x54 s ILE 48 CO 0.00 0.40 0.07 -0.83 0.00 0.00 0.00 174.94 174.58 2x54 s GLY 49 N -0.37 1.88 -0.14 6.18 0.00 -1.26 -1.09 107.32 112.51 2x54 s GLY 49 Ca 0.41 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 2x54 s GLY 49 CO 0.27 0.19 -0.12 0.14 0.00 0.00 0.00 173.10 173.57 2x54 s VAL 50 N 0.71 3.02 -0.15 1.40 1.01 -0.70 -5.02 120.40 120.67 2x54 s VAL 50 Ca 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2x54 s VAL 50 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2x54 s VAL 50 CO 0.02 0.51 -0.07 -0.32 0.00 0.00 0.00 175.10 175.24 2x54 s MET 51 N 0.56 3.57 0.00 2.72 1.75 -1.26 -1.26 119.30 125.37 2x54 s MET 51 Ca -0.08 -0.57 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 2x54 s MET 51 Cb -0.16 -2.83 0.00 0.00 2.84 0.00 0.00 34.83 34.68 2x54 s MET 51 CO 0.04 0.21 0.00 0.41 -0.65 0.00 0.00 175.02 175.03 2x54 n GLY 52 N 3.59 0.85 3.38 2.11 0.00 -1.07 -5.00 105.19 109.06 2x54 n GLY 52 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2x54 n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x54 s THR 53 N 0.30 2.80 -0.34 2.61 -4.23 -1.23 -4.95 115.64 110.60 2x54 s THR 53 Ca 0.00 -0.78 -0.27 0.00 -1.18 0.00 0.00 61.69 59.46 2x54 s THR 53 Cb 0.00 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.74 2x54 s THR 53 CO 0.00 0.56 0.96 0.00 -0.54 0.00 0.00 174.62 175.59 2x54 s ARG 54 N -0.14 3.94 -0.54 3.99 1.70 -1.26 -4.34 118.95 122.30 2x54 s ARG 54 Ca -0.02 0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 55.81 2x54 s ARG 54 Cb -0.14 -3.77 0.10 0.00 -0.57 0.00 0.00 34.95 30.57 2x54 s ARG 54 CO 0.04 -0.89 0.58 -1.54 -1.08 0.00 0.00 175.30 172.40 2x54 s SER 55 N 1.77 6.19 -0.38 -2.89 1.04 -0.78 -4.92 113.70 113.72 2x54 s SER 55 Ca 0.40 -1.46 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 2x54 s SER 55 Cb -0.12 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.75 2x54 s SER 55 CO 0.17 -0.93 1.37 -0.63 0.98 0.00 0.00 173.24 174.20 2x54 s ILE 56 N 2.16 3.98 -0.17 -1.02 1.09 -1.26 -2.25 121.20 123.73 2x54 s ILE 56 Ca 0.08 1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 60.57 2x54 s ILE 56 Cb -0.25 -4.20 -0.05 0.00 -1.06 0.00 0.00 42.46 36.90 2x54 s ILE 56 CO 0.06 -0.68 0.16 -0.89 -0.10 0.00 0.00 174.94 173.50 2x54 s THR 57 N 5.07 5.41 -0.18 2.92 2.01 0.99 -5.01 115.64 126.84 2x54 s THR 57 Ca 0.59 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.78 2x54 s THR 57 Cb -0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2x54 s THR 57 CO 0.30 0.48 0.08 -1.10 -0.69 0.00 0.00 174.62 173.69 2x54 s GLN 58 N 0.01 3.98 0.23 4.92 -1.52 -1.26 -1.90 119.66 124.12 2x54 s GLN 58 Ca 0.11 -0.30 -0.02 0.00 -1.95 0.00 0.00 55.36 53.20 2x54 s GLN 58 Cb -0.12 -3.26 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 2x54 s GLN 58 CO 0.01 0.32 0.45 -1.25 -0.25 0.00 0.00 175.29 174.57 2x54 s PRO 59 N 0.25 3.57 0.21 2.91 0.04 -1.26 -4.84 135.00 135.88 2x54 s PRO 59 Ca 0.05 -0.20 -0.32 0.00 0.04 0.00 0.00 61.00 60.57 2x54 s PRO 59 Cb -0.12 -2.77 -0.13 0.00 0.04 0.00 0.00 34.50 31.52 2x54 s PRO 59 CO -0.00 0.34 1.58 1.04 0.04 0.00 0.00 177.00 179.99 2x54 n GLN 60 N -0.72 2.37 -3.36 4.56 6.02 -1.26 -4.78 117.38 120.21 2x54 n GLN 60 Ca -0.03 0.85 -0.38 0.00 -0.01 0.00 0.00 57.00 57.43 2x54 n GLN 60 Cb 0.54 -2.62 -0.06 0.00 1.02 0.00 0.00 30.24 29.12 2x54 n GLN 60 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2x54 s ILE 61 N 0.60 5.21 -0.24 5.09 1.01 -1.07 -4.56 121.20 127.23 2x54 s ILE 61 Ca 0.73 0.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 2x54 s ILE 61 Cb -0.60 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2x54 s ILE 61 CO 0.41 0.32 -0.05 -0.70 0.00 0.00 0.00 174.94 174.91 2x54 s GLU 62 N 0.77 2.97 0.61 2.79 2.12 -1.26 -1.06 118.70 125.64 2x54 s GLU 62 Ca 0.23 -0.89 0.06 0.00 0.36 0.00 0.00 54.97 54.73 2x54 s GLU 62 Cb -0.15 -3.00 0.11 0.00 0.26 0.00 0.00 34.13 31.35 2x54 s GLU 62 CO 0.09 -0.35 0.84 1.19 -0.54 0.00 0.00 175.26 176.48 2x54 n PHE 63 N 4.71 -2.55 -3.80 5.30 3.72 -0.08 -1.13 117.46 123.63 2x54 n PHE 63 Ca -0.17 -1.91 -0.28 0.00 -0.05 0.00 0.00 57.45 55.05 2x54 n PHE 63 Cb 0.48 -0.59 -0.11 0.00 -0.94 0.00 0.00 39.48 38.32 2x54 n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2x54 n LYS 64 N -2.41 1.67 -1.68 -1.08 4.81 -0.35 -2.97 118.16 116.15 2x54 n LYS 64 Ca 0.16 -4.33 -0.48 0.00 -0.87 0.00 0.00 58.31 52.79 2x54 n LYS 64 Cb 0.57 -2.20 -0.05 0.00 0.02 0.00 0.00 35.03 33.38 2x54 n LYS 64 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2x54 n LEU 65 N 1.99 3.32 -3.68 3.14 7.94 0.16 -3.15 117.00 126.71 2x54 n LEU 65 Ca 0.22 1.01 -0.18 0.00 -1.11 0.00 0.00 56.01 55.94 2x54 n LEU 65 Cb 0.37 -1.38 -0.17 0.00 0.53 0.00 0.00 43.42 42.77 2x54 n LEU 65 CO 0.25 -0.13 -0.30 -0.70 -1.11 0.00 0.00 177.39 175.40 2x54 s GLU 66 N 3.16 -0.03 -0.03 1.96 2.56 -0.09 -0.24 118.70 126.00 2x54 s GLU 66 Ca 0.89 0.42 -0.02 0.00 0.00 0.00 0.00 54.97 56.26 2x54 s GLU 66 Cb -0.70 -0.39 -0.04 0.00 2.00 0.00 0.00 34.13 35.01 2x54 s GLU 66 CO 0.48 -0.30 0.11 0.95 -0.56 0.00 0.00 175.26 175.94 2x54 s THR 67 N 2.06 4.95 -0.25 -1.70 -4.23 -1.04 -0.23 115.64 115.19 2x54 s THR 67 Ca 0.02 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2x54 s THR 67 Cb -0.12 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.53 2x54 s THR 67 CO -0.04 0.40 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.00 2x54 s PHE 68 N -1.18 2.92 -0.03 3.99 0.08 0.17 -4.12 117.98 119.82 2x54 s PHE 68 Ca 0.22 -2.12 -0.02 0.00 0.12 0.00 0.00 56.93 55.13 2x54 s PHE 68 Cb -0.12 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2x54 s PHE 68 CO 0.13 -0.84 0.07 0.20 -0.10 0.00 0.00 175.22 174.68 2x54 s GLY 69 N 1.22 -0.01 0.42 4.36 0.00 -1.26 -4.80 107.32 107.25 2x54 s GLY 69 Ca -0.07 0.29 0.16 0.00 0.00 0.00 0.00 44.72 45.10 2x54 s GLY 69 CO -0.06 0.41 1.90 0.83 0.00 0.00 0.00 173.10 176.19 2x54 h GLU 70 N 6.52 0.42 -4.62 2.90 5.08 -1.95 -3.45 114.58 119.48 2x54 h GLU 70 Ca -0.32 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.77 2x54 h GLU 70 Cb 1.18 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2x54 h GLU 70 CO 0.46 0.28 -0.65 -1.54 -1.00 0.00 0.00 179.01 176.56 2x54 s SER 71 N -5.87 0.77 0.33 1.42 1.04 -1.26 -4.86 113.70 105.27 2x54 s SER 71 Ca -0.08 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.16 2x54 s SER 71 Cb 0.21 0.21 0.55 0.00 0.10 0.00 0.00 66.02 67.09 2x54 s SER 71 CO 0.77 -0.66 1.95 -0.07 0.98 0.00 0.00 173.24 176.21 2x54 h LEU 72 N 2.76 0.74 -0.48 2.42 3.38 -1.75 -2.42 115.31 119.96 2x54 h LEU 72 Ca -0.36 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2x54 h LEU 72 Cb 1.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2x54 h LEU 72 CO 0.61 0.61 0.31 -0.08 0.09 0.00 0.00 178.44 179.97 2x54 h GLU 73 N 0.84 0.64 -0.17 1.13 4.81 -1.93 -2.47 114.58 117.44 2x54 h GLU 73 Ca 0.21 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2x54 h GLU 73 Cb 0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2x54 h GLU 73 CO -0.03 0.44 0.10 1.49 -0.73 0.00 0.00 179.01 180.28 2x54 h GLU 74 N 0.65 0.23 -0.01 1.92 4.81 -1.81 -2.12 114.58 118.25 2x54 h GLU 74 Ca 0.17 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2x54 h GLU 74 Cb -0.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2x54 h GLU 74 CO -0.04 0.21 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.01 2x54 h ASN 75 N 0.19 0.03 0.20 1.04 2.35 -1.43 -1.32 115.58 116.63 2x54 h ASN 75 Ca 0.06 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.65 2x54 h ASN 75 Cb 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2x54 h ASN 75 CO -0.01 0.56 -0.55 1.88 -1.65 0.00 0.00 177.43 177.66 2x54 h TYR 76 N 0.02 0.47 0.00 1.19 0.05 -1.39 -2.36 116.97 114.95 2x54 h TYR 76 Ca -0.00 -0.17 -0.12 0.00 0.05 0.00 0.00 58.73 58.48 2x54 h TYR 76 Cb 0.95 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 2x54 h TYR 76 CO 0.00 0.84 -0.59 0.37 -1.05 0.00 0.00 178.16 177.73 2x54 h GLN 77 N 0.29 0.00 -0.13 4.88 5.75 -1.07 -2.45 115.11 122.38 2x54 h GLN 77 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2x54 h GLN 77 Cb 1.06 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.62 2x54 h GLN 77 CO 0.09 0.59 -0.82 -0.07 -2.65 0.00 0.00 178.83 175.97 2x54 h LEU 78 N 0.00 0.95 -0.25 -2.39 3.38 -1.07 -2.51 115.31 113.42 2x54 h LEU 78 Ca -0.01 -0.65 -0.12 0.00 0.09 0.00 0.00 57.88 57.20 2x54 h LEU 78 Cb 1.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2x54 h LEU 78 CO 0.08 1.45 -0.32 0.24 0.09 0.00 0.00 178.44 179.98 2x54 h MET 79 N 0.52 0.65 -0.69 1.13 2.86 -1.42 -1.35 114.93 116.64 2x54 h MET 79 Ca -0.07 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 2x54 h MET 79 Cb 1.46 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.11 2x54 h MET 79 CO 0.17 0.98 0.21 -0.22 1.06 0.00 0.00 176.91 179.12 2x54 h LYS 80 N 0.37 1.07 0.43 1.72 3.64 -1.54 -2.87 116.57 119.39 2x54 h LYS 80 Ca 0.03 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2x54 h LYS 80 Cb 0.89 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2x54 h LYS 80 CO 0.08 0.92 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.53 2x54 h ASP 81 N 1.00 -0.49 -0.60 4.20 5.19 -1.43 -2.92 116.42 121.38 2x54 h ASP 81 Ca 0.22 0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.76 2x54 h ASP 81 Cb 0.30 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.85 2x54 h ASP 81 CO -0.01 -0.15 0.15 0.15 -3.12 0.00 0.00 179.24 176.26 2x54 h PHE 82 N -0.97 0.24 0.03 4.55 3.57 -1.35 -0.85 116.94 122.16 2x54 h PHE 82 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2x54 h PHE 82 Cb 0.44 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2x54 h PHE 82 CO 0.02 -0.01 -0.01 0.28 -2.23 0.00 0.00 178.31 176.36 2x54 h VAL 83 N 0.28 1.25 -0.92 1.41 2.07 -1.66 -2.70 116.25 115.98 2x54 h VAL 83 Ca 0.32 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 67.03 2x54 h VAL 83 Cb 0.46 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 2x54 h VAL 83 CO -0.39 0.23 0.57 0.78 0.02 0.00 0.00 177.57 178.78 2x54 h ASN 84 N -0.43 0.88 -0.35 0.57 4.21 -1.38 0.11 115.58 119.19 2x54 h ASN 84 Ca -0.00 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 2x54 h ASN 84 Cb 0.40 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 2x54 h ASN 84 CO 0.01 0.53 0.21 0.44 -1.29 0.00 0.00 177.43 177.33 2x54 h ASP 85 N 1.00 0.44 0.01 5.81 3.45 -1.13 0.89 116.42 126.89 2x54 h ASP 85 Ca 0.42 -0.02 -0.26 0.00 0.43 0.00 0.00 57.03 57.59 2x54 h ASP 85 Cb 0.27 -0.11 0.02 0.00 -0.56 0.00 0.00 39.33 38.95 2x54 h ASP 85 CO -0.21 0.35 -1.03 0.40 -1.57 0.00 0.00 179.24 177.18 2x54 h ILE 86 N 0.51 1.28 -0.19 0.35 2.04 -0.81 -3.30 117.51 117.38 2x54 h ILE 86 Ca 0.13 -2.25 -0.13 0.00 1.00 0.00 0.00 64.86 63.62 2x54 h ILE 86 Cb 0.00 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2x54 h ILE 86 CO -0.02 0.69 -0.43 -0.07 0.00 0.00 0.00 178.15 178.32 2x54 h LEU 87 N 0.36 0.50 -1.05 1.44 3.38 0.16 -3.27 115.31 116.83 2x54 h LEU 87 Ca -0.13 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2x54 h LEU 87 Cb 1.69 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 2x54 h LEU 87 CO 0.20 0.87 0.63 0.77 0.09 0.00 0.00 178.44 181.00 2x54 h SER 88 N 0.38 0.98 -2.69 -0.43 4.64 0.69 -3.41 113.55 113.71 2x54 h SER 88 Ca 0.03 0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.70 2x54 h SER 88 Cb 0.91 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 2x54 h SER 88 CO 0.08 0.61 -0.46 -0.54 -0.87 0.00 0.00 176.83 175.65 2x54 s LYS 89 N -5.98 3.48 0.57 4.77 -0.14 -1.23 -5.02 119.74 116.19 2x54 s LYS 89 Ca -0.12 -0.10 0.28 0.00 -1.36 0.00 0.00 55.97 54.67 2x54 s LYS 89 Cb 0.20 -3.18 1.71 0.00 -1.68 0.00 0.00 37.83 34.88 2x54 s LYS 89 CO 0.81 0.76 2.22 1.57 -0.76 0.00 0.00 175.35 179.95 2x54 h LYS 90 N 4.85 0.00 -2.82 1.68 2.10 -1.83 -3.44 116.57 117.12 2x54 h LYS 90 Ca -0.54 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 57.99 2x54 h LYS 90 Cb 1.23 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.34 2x54 h LYS 90 CO 0.59 0.02 -0.22 -0.59 -2.00 0.00 0.00 179.45 177.25 2x54 s PHE 91 N -4.64 -0.34 -0.08 0.07 -0.12 -1.26 -4.85 117.98 106.75 2x54 s PHE 91 Ca -0.05 0.69 0.04 0.00 -0.05 0.00 0.00 56.93 57.56 2x54 s PHE 91 Cb 0.15 0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.69 2x54 s PHE 91 CO 0.57 -0.34 -0.22 0.08 -0.05 0.00 0.00 175.22 175.26 2x54 s VAL 92 N -0.68 1.88 -0.33 -2.49 1.01 0.71 -4.86 120.40 115.63 2x54 s VAL 92 Ca -0.08 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 2x54 s VAL 92 Cb -0.04 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 2x54 s VAL 92 CO 0.03 0.52 0.60 -0.89 0.00 0.00 0.00 175.10 175.36 2x54 s THR 93 N 0.26 4.94 -0.22 3.92 2.01 -1.06 -0.05 115.64 125.45 2x54 s THR 93 Ca -0.14 0.63 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 2x54 s THR 93 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2x54 s THR 93 CO 0.07 -0.22 0.52 -0.22 -0.69 0.00 0.00 174.62 174.08 2x54 s LEU 94 N 2.58 4.12 -0.15 4.42 2.96 -0.08 -1.22 118.68 131.32 2x54 s LEU 94 Ca 0.23 0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 54.61 2x54 s LEU 94 Cb -0.15 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2x54 s LEU 94 CO 0.13 -0.21 0.42 -0.70 -1.32 0.00 0.00 176.35 174.68 2x54 s GLU 95 N 1.81 4.29 -0.25 1.98 2.12 -0.05 -0.73 118.70 127.87 2x54 s GLU 95 Ca 0.23 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.83 2x54 s GLU 95 Cb -0.15 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 2x54 s GLU 95 CO 0.09 0.13 0.02 -0.47 -0.54 0.00 0.00 175.26 174.49 2x54 s TYR 96 N 0.75 3.04 -0.02 5.30 5.04 0.46 -2.55 117.35 129.37 2x54 s TYR 96 Ca 0.23 -0.80 0.05 0.00 -2.44 0.00 0.00 57.07 54.10 2x54 s TYR 96 Cb -0.15 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.98 2x54 s TYR 96 CO 0.08 -0.50 -0.16 -1.14 -1.34 0.00 0.00 175.55 172.49 2x54 s GLN 97 N 1.52 1.44 0.33 4.97 0.74 -0.24 -1.32 119.66 127.10 2x54 s GLN 97 Ca 0.05 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 54.92 2x54 s GLN 97 Cb -0.15 -1.34 -0.01 0.00 1.10 0.00 0.00 33.01 32.60 2x54 s GLN 97 CO 0.00 0.31 0.36 0.25 -0.55 0.00 0.00 175.29 175.66 2x54 n THR 98 N 2.85 0.00 -0.30 -0.34 -2.24 -0.48 -0.44 114.28 113.33 2x54 n THR 98 Ca -0.16 -2.11 0.04 0.00 -2.27 0.00 0.00 64.05 59.56 2x54 n THR 98 Cb 0.54 1.14 0.25 0.00 -2.10 0.00 0.00 70.33 70.15 2x54 n THR 98 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x54 h GLU 99 N 0.00 0.98 0.00 -0.78 5.08 -1.85 -3.22 114.58 114.79 2x54 h GLU 99 Ca -0.24 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.77 2x54 h GLU 99 Cb 1.17 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2x54 h GLU 99 CO 0.34 0.65 -1.86 0.44 -1.00 0.00 0.00 179.01 177.59 2x54 n ILE 100 N -4.49 1.47 -4.10 3.13 -5.35 -1.26 -5.05 119.36 103.71 2x54 n ILE 100 Ca 0.14 -0.79 -0.09 0.00 -0.27 0.00 0.00 62.75 61.73 2x54 n ILE 100 Cb 0.21 -0.83 -0.09 0.00 -1.74 0.00 0.00 39.64 37.18 2x54 n ILE 100 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 2x54 s PHE 101 N -2.63 0.72 -0.45 4.28 -0.12 -1.22 -5.10 117.98 113.46 2x54 s PHE 101 Ca -0.06 -1.10 0.07 0.00 -0.05 0.00 0.00 56.93 55.79 2x54 s PHE 101 Cb 0.08 -0.37 0.25 0.00 -0.63 0.00 0.00 43.02 42.34 2x54 s PHE 101 CO 0.83 -0.56 0.57 0.94 -0.05 0.00 0.00 175.22 176.95 2x54 n GLN 102 N -0.11 1.12 -2.06 1.99 7.27 -1.26 -1.39 117.38 122.95 2x54 n GLN 102 Ca -0.07 -3.57 -0.28 0.00 0.07 0.00 0.00 57.00 53.15 2x54 n GLN 102 Cb 0.63 -1.48 0.05 0.00 2.41 0.00 0.00 30.24 31.86 2x54 n GLN 102 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2x54 s VAL 103 N -1.44 3.13 0.03 1.69 -7.23 -0.44 -4.65 120.40 111.50 2x54 s VAL 103 Ca 0.36 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.73 2x54 s VAL 103 Cb 0.16 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 2x54 s VAL 103 CO -0.09 -0.40 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.92 2x54 s TYR 104 N -3.28 0.54 -0.04 2.82 2.02 -0.48 -0.40 117.35 118.51 2x54 s TYR 104 Ca 0.58 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.92 2x54 s TYR 104 Cb -0.11 -0.33 0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2x54 s TYR 104 CO 0.49 -0.08 -0.12 0.00 -1.57 0.00 0.00 175.55 174.27 2x54 s ALA 105 N -1.04 1.19 -0.29 3.71 0.00 0.09 -0.60 121.76 124.81 2x54 s ALA 105 Ca -0.08 -0.46 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 2x54 s ALA 105 Cb -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2x54 s ALA 105 CO 0.00 0.17 0.83 -0.51 0.00 0.00 0.00 175.76 176.25 2x54 s ASP 106 N 0.30 6.73 0.20 0.00 1.01 -0.51 -0.90 116.67 123.50 2x54 s ASP 106 Ca -0.07 0.79 0.11 0.00 0.71 0.00 0.00 52.55 54.09 2x54 s ASP 106 Cb -0.12 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2x54 s ASP 106 CO 0.02 -0.62 -0.23 -0.76 0.21 0.00 0.00 175.17 173.79 2x54 s LEU 107 N 3.00 2.46 -0.03 1.23 1.43 0.93 -1.34 118.68 126.35 2x54 s LEU 107 Ca 0.34 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2x54 s LEU 107 Cb -0.14 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 2x54 s LEU 107 CO 0.11 0.10 -0.14 0.00 0.23 0.00 0.00 176.35 176.65 2x54 s ALA 108 N -1.82 1.29 -0.17 4.21 0.00 -0.77 -0.21 121.76 124.28 2x54 s ALA 108 Ca 0.22 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2x54 s ALA 108 Cb -0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2x54 s ALA 108 CO 0.10 0.24 1.83 -1.17 0.00 0.00 0.00 175.76 176.76 2x54 s LEU 109 N 0.01 3.90 -0.20 0.00 1.98 -1.26 -0.12 118.68 122.99 2x54 s LEU 109 Ca -0.02 1.89 -0.17 0.00 -2.89 0.00 0.00 54.13 52.94 2x54 s LEU 109 Cb -0.10 -3.53 -0.20 0.00 0.66 0.00 0.00 46.19 43.03 2x54 s LEU 109 CO 0.01 -1.38 0.18 0.00 -1.89 0.00 0.00 176.35 173.27 2x54 n ALA 110 N 9.03 0.86 -3.63 5.97 0.00 -0.55 -4.84 120.51 127.35 2x54 n ALA 110 Ca 0.22 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 2x54 n ALA 110 Cb 0.44 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 2x54 n ALA 110 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x54 s ASP 111 N -6.95 -0.76 -0.01 0.00 2.15 -0.83 -4.99 116.67 105.27 2x54 s ASP 111 Ca -0.29 1.44 0.03 0.00 0.43 0.00 0.00 52.55 54.16 2x54 s ASP 111 Cb 0.07 1.44 -0.00 0.00 -0.30 0.00 0.00 42.92 44.13 2x54 s ASP 111 CO 0.62 -0.25 -0.08 0.54 -0.17 0.00 0.00 175.17 175.83 2x54 s VAL 112 N 0.53 0.68 -0.00 1.11 0.11 -1.26 0.10 120.40 121.66 2x54 s VAL 112 Ca -0.01 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2x54 s VAL 112 Cb -0.05 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2x54 s VAL 112 CO -0.02 0.20 -0.10 0.42 -3.33 0.00 0.00 175.10 172.27 2x54 s THR 113 N -0.11 3.40 -0.12 5.04 -4.23 -1.12 -5.04 115.64 113.47 2x54 s THR 113 Ca 0.02 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 2x54 s THR 113 Cb -0.04 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.39 2x54 s THR 113 CO -0.00 0.42 0.01 -0.75 -0.54 0.00 0.00 174.62 173.75 2x54 s LYS 114 N -1.29 0.72 0.27 3.99 2.20 -1.26 -4.66 119.74 119.70 2x54 s LYS 114 Ca 0.16 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.70 2x54 s LYS 114 Cb -0.11 -1.44 -0.06 0.00 -1.51 0.00 0.00 37.83 34.72 2x54 s LYS 114 CO 0.06 -0.42 -0.02 0.95 -0.36 0.00 0.00 175.35 175.56 2x54 s THR 115 N 1.91 1.35 -0.36 3.43 -4.23 -1.26 -5.08 115.64 111.40 2x54 s THR 115 Ca 0.03 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 2x54 s THR 115 Cb -0.14 -2.47 0.66 0.00 1.34 0.00 0.00 72.50 71.90 2x54 s THR 115 CO -0.06 -0.26 1.66 -0.62 -0.54 0.00 0.00 174.62 174.80 2x54 n GLU 116 N -0.54 3.54 -3.09 3.99 1.02 -1.26 -4.75 120.64 119.55 2x54 n GLU 116 Ca -0.05 -2.69 -0.44 0.00 -0.02 0.00 0.00 57.16 53.96 2x54 n GLU 116 Cb 0.64 -2.11 -0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2x54 n GLU 116 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2x54 s GLY 117 N -0.79 2.69 0.01 0.62 0.00 -1.26 -5.01 107.32 103.58 2x54 s GLY 117 Ca 0.48 -3.52 -0.14 0.00 0.00 0.00 0.00 44.72 41.54 2x54 s GLY 117 CO 0.12 1.79 0.41 -0.19 0.00 0.00 0.00 173.10 175.24 2x54 s TYR 118 N 0.61 3.71 0.00 1.90 1.51 -1.26 -4.66 117.35 119.16 2x54 s TYR 118 Ca 0.38 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.42 2x54 s TYR 118 Cb -0.05 -2.28 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 2x54 s TYR 118 CO -0.03 0.63 0.00 0.41 -1.11 0.00 0.00 175.55 175.45 2x54 n GLY 119 N 1.70 0.80 3.71 0.71 0.00 -1.06 -4.82 105.19 106.23 2x54 n GLY 119 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2x54 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 s LYS 120 N 0.75 4.20 -1.41 1.61 -0.14 -1.26 -3.94 119.74 119.56 2x54 s LYS 120 Ca 0.00 -0.00 -0.04 0.00 -1.36 0.00 0.00 55.97 54.57 2x54 s LYS 120 Cb 0.00 -3.46 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 2x54 s LYS 120 CO 0.00 0.17 0.50 0.09 -0.76 0.00 0.00 175.35 175.35 2x54 n ASN 121 N 3.83 -5.62 -3.04 2.83 3.02 -1.26 -3.73 115.26 111.29 2x54 n ASN 121 Ca -0.12 -0.24 -0.06 0.00 -0.03 0.00 0.00 54.58 54.13 2x54 n ASN 121 Cb 0.52 -4.47 0.03 0.00 -0.61 0.00 0.00 39.78 35.25 2x54 n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 122 N -1.41 -1.11 3.57 7.41 0.00 -1.25 -2.44 105.19 109.95 2x54 n GLY 122 Ca -0.11 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 2x54 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x54 s THR 123 N -3.17 4.82 0.40 2.61 -4.23 -1.24 -4.60 115.64 110.23 2x54 s THR 123 Ca 0.20 -0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 2x54 s THR 123 Cb -0.03 -3.23 -0.09 0.00 1.34 0.00 0.00 72.50 70.50 2x54 s THR 123 CO 0.70 0.37 1.09 -0.36 -0.54 0.00 0.00 174.62 175.88 2x54 s PHE 124 N 1.11 3.20 -0.39 3.99 0.08 -1.26 -2.55 117.98 122.17 2x54 s PHE 124 Ca 0.05 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.75 2x54 s PHE 124 Cb -0.14 -3.23 0.16 0.00 -0.57 0.00 0.00 43.02 39.23 2x54 s PHE 124 CO 0.04 -0.89 0.35 0.45 -0.10 0.00 0.00 175.22 175.07 2x54 s SER 125 N -1.38 1.53 0.37 1.36 0.15 -1.26 -2.50 113.70 111.98 2x54 s SER 125 Ca 0.57 -2.11 0.05 0.00 0.70 0.00 0.00 55.95 55.16 2x54 s SER 125 Cb -0.26 0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 64.16 2x54 s SER 125 CO 0.32 -0.24 0.04 -1.61 1.20 0.00 0.00 173.24 172.96 2x54 s GLU 126 N 0.97 1.82 -0.20 5.44 0.41 0.67 -4.99 118.70 122.82 2x54 s GLU 126 Ca 0.22 -2.04 -0.05 0.00 -0.41 0.00 0.00 54.97 52.69 2x54 s GLU 126 Cb -0.12 -1.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.05 2x54 s GLU 126 CO -0.05 -0.18 -0.01 0.15 -0.49 0.00 0.00 175.26 174.68 2x54 s LYS 127 N -3.82 3.60 -0.29 1.61 1.02 -1.26 0.40 119.74 121.01 2x54 s LYS 127 Ca 0.33 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 2x54 s LYS 127 Cb 0.08 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2x54 s LYS 127 CO 0.15 0.03 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.10 2x54 s ILE 128 N 0.95 3.00 -0.13 2.17 2.07 -1.16 -2.77 121.20 125.32 2x54 s ILE 128 Ca 0.01 -1.26 -0.07 0.00 -1.41 0.00 0.00 60.65 57.92 2x54 s ILE 128 Cb -0.14 -2.66 -0.04 0.00 0.13 0.00 0.00 42.46 39.74 2x54 s ILE 128 CO 0.02 -0.02 0.11 -0.89 -1.91 0.00 0.00 174.94 172.25 2x54 s THR 129 N 1.28 5.28 0.06 4.00 2.01 0.11 -0.90 115.64 127.49 2x54 s THR 129 Ca -0.04 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.17 2x54 s THR 129 Cb -0.19 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2x54 s THR 129 CO -0.02 0.58 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.91 2x54 s PHE 130 N -0.67 1.88 -0.07 4.92 0.40 -0.22 -1.47 117.98 122.74 2x54 s PHE 130 Ca 0.13 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 2x54 s PHE 130 Cb -0.12 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 2x54 s PHE 130 CO 0.02 0.12 0.27 -0.51 0.70 0.00 0.00 175.22 175.83 2x54 s ASP 131 N -1.35 6.58 -0.18 1.36 1.01 0.82 -2.61 116.67 122.31 2x54 s ASP 131 Ca 0.08 0.69 -0.27 0.00 0.71 0.00 0.00 52.55 53.76 2x54 s ASP 131 Cb -0.09 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 2x54 s ASP 131 CO 0.02 0.34 0.93 -0.63 0.21 0.00 0.00 175.17 176.04 2x54 s ILE 132 N -0.89 4.80 -0.11 0.77 -1.09 -1.26 -1.85 121.20 121.57 2x54 s ILE 132 Ca 0.19 1.82 -0.08 0.00 -2.23 0.00 0.00 60.65 60.35 2x54 s ILE 132 Cb -0.14 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 2x54 s ILE 132 CO 0.08 -0.04 -0.16 -0.38 -1.23 0.00 0.00 174.94 173.21 2x54 n ILE 133 N 4.89 1.04 -3.79 2.92 5.41 -0.45 -4.95 119.36 124.43 2x54 n ILE 133 Ca 0.07 0.28 -0.21 0.00 1.00 0.00 0.00 62.75 63.89 2x54 n ILE 133 Cb 0.48 -2.14 -0.17 0.00 -0.71 0.00 0.00 39.64 37.09 2x54 n ILE 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2x54 s THR 134 N -2.01 0.27 -0.22 1.39 2.01 -1.19 -4.99 115.64 110.88 2x54 s THR 134 Ca -0.13 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 2x54 s THR 134 Cb 0.02 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 2x54 s THR 134 CO 0.19 0.23 0.24 -0.75 -0.69 0.00 0.00 174.62 173.85 2x54 s LYS 135 N 1.84 4.11 -0.05 4.92 2.20 -1.26 -1.42 119.74 130.08 2x54 s LYS 135 Ca 0.02 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 2x54 s LYS 135 Cb -0.12 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2x54 s LYS 135 CO -0.04 0.04 0.09 0.91 -0.36 0.00 0.00 175.35 175.98 2x54 n TRP 136 N 4.31 -3.68 -3.94 4.03 5.03 -1.11 -4.50 117.44 117.58 2x54 n TRP 136 Ca -0.13 2.17 -0.10 0.00 3.03 0.00 0.00 57.50 62.47 2x54 n TRP 136 Cb 0.52 -3.25 -0.12 0.00 -1.03 0.00 0.00 31.31 27.43 2x54 n TRP 136 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 2x54 s TYR 137 N -0.49 0.16 -0.30 -5.99 -0.85 0.23 -0.40 117.35 109.71 2x54 s TYR 137 Ca -0.10 -0.33 -0.13 0.00 -0.52 0.00 0.00 57.07 55.99 2x54 s TYR 137 Cb 0.01 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 2x54 s TYR 137 CO 0.27 -0.15 0.26 0.95 -1.52 0.00 0.00 175.55 175.35 2x54 s THR 138 N -1.06 5.26 -0.54 -3.49 -4.23 0.58 -1.38 115.64 110.77 2x54 s THR 138 Ca -0.12 0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.34 2x54 s THR 138 Cb -0.07 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.22 2x54 s THR 138 CO -0.00 0.13 0.62 -0.47 -0.54 0.00 0.00 174.62 174.36 2x54 s TYR 139 N 1.84 3.07 0.21 3.99 5.04 -1.26 -2.30 117.35 127.94 2x54 s TYR 139 Ca 0.09 -0.85 0.06 0.00 -2.44 0.00 0.00 57.07 53.92 2x54 s TYR 139 Cb -0.16 -3.74 -0.05 0.00 0.35 0.00 0.00 41.96 38.36 2x54 s TYR 139 CO 0.11 -1.12 -0.08 -1.21 -1.34 0.00 0.00 175.55 171.90 2x54 s GLU 140 N 2.44 1.32 -0.21 4.97 2.02 -0.24 -4.99 118.70 124.00 2x54 s GLU 140 Ca 0.11 -1.62 -0.22 0.00 0.02 0.00 0.00 54.97 53.26 2x54 s GLU 140 Cb -0.23 -0.90 -0.02 0.00 0.10 0.00 0.00 34.13 33.08 2x54 s GLU 140 CO 0.08 0.06 0.70 1.21 0.02 0.00 0.00 175.26 177.33 2x54 s ASN 141 N -3.31 6.73 -0.26 -0.19 3.84 -1.26 0.26 114.94 120.75 2x54 s ASN 141 Ca 0.24 0.89 -0.11 0.00 0.21 0.00 0.00 52.86 54.09 2x54 s ASN 141 Cb 0.02 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.30 2x54 s ASN 141 CO 0.07 -0.36 0.18 -0.22 -2.79 0.00 0.00 177.10 173.98 2x54 s LEU 142 N 2.25 4.06 0.09 3.21 1.98 -0.16 -4.88 118.68 125.24 2x54 s LEU 142 Ca 0.31 0.05 0.05 0.00 -2.89 0.00 0.00 54.13 51.65 2x54 s LEU 142 Cb -0.16 -2.12 -0.03 0.00 0.66 0.00 0.00 46.19 44.54 2x54 s LEU 142 CO 0.10 0.00 -0.14 -0.89 -1.89 0.00 0.00 176.35 173.53 2x54 s THR 143 N 1.44 1.18 0.84 3.68 2.01 -1.26 -3.69 115.64 119.84 2x54 s THR 143 Ca 0.07 -1.45 -0.11 0.00 0.31 0.00 0.00 61.69 60.51 2x54 s THR 143 Cb -0.15 -1.24 0.09 0.00 0.01 0.00 0.00 72.50 71.22 2x54 s THR 143 CO 0.08 -0.29 1.09 0.72 -0.69 0.00 0.00 174.62 175.53 2x54 s PHE 144 N -1.59 2.48 0.02 4.92 -0.71 -1.26 -4.63 117.98 117.22 2x54 s PHE 144 Ca 0.02 1.36 0.07 0.00 -1.04 0.00 0.00 56.93 57.34 2x54 s PHE 144 Cb -0.08 -3.11 -0.03 0.00 -1.21 0.00 0.00 43.02 38.59 2x54 s PHE 144 CO 0.02 -2.10 -0.20 -0.51 -1.34 0.00 0.00 175.22 171.10 2x54 s ASP 145 N -3.46 3.63 0.06 1.98 1.01 0.37 -4.94 116.67 115.32 2x54 s ASP 145 Ca 0.62 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.47 2x54 s ASP 145 Cb -0.17 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.17 2x54 s ASP 145 CO 0.56 0.27 0.08 -0.75 0.21 0.00 0.00 175.17 175.55 2x54 s LYS 146 N -1.23 2.95 -0.16 8.23 2.47 -1.26 -2.10 119.74 128.64 2x54 s LYS 146 Ca 0.13 -0.63 -0.03 0.00 -1.56 0.00 0.00 55.97 53.89 2x54 s LYS 146 Cb -0.10 -2.77 -0.02 0.00 -1.46 0.00 0.00 37.83 33.47 2x54 s LYS 146 CO 0.03 0.59 -0.06 0.42 0.16 0.00 0.00 175.35 176.50 2x54 s ILE 147 N -1.34 3.63 -0.01 5.43 -1.09 -1.25 -5.04 121.20 121.54 2x54 s ILE 147 Ca 0.28 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 2x54 s ILE 147 Cb -0.12 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 2x54 s ILE 147 CO 0.20 0.48 -0.12 -1.10 -1.23 0.00 0.00 174.94 173.17 2x54 s GLN 148 N 0.58 2.42 0.26 2.79 -0.21 -1.26 -4.59 119.66 119.65 2x54 s GLN 148 Ca -0.04 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 2x54 s GLN 148 Cb -0.15 -2.38 -0.10 0.00 1.00 0.00 0.00 33.01 31.38 2x54 s GLN 148 CO 0.03 0.60 1.40 -0.80 -2.12 0.00 0.00 175.29 174.40 2x54 s ASN 149 N -1.16 6.69 0.57 5.90 0.01 -1.26 -5.02 114.94 120.67 2x54 s ASN 149 Ca 0.14 2.65 -0.18 0.00 -0.71 0.00 0.00 52.86 54.77 2x54 s ASN 149 Cb -0.11 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 2x54 s ASN 149 CO 0.04 -0.66 1.09 -0.83 -1.51 0.00 0.00 177.10 175.23 2x54 s GLY 150 N 0.19 2.38 0.54 0.66 0.00 -0.79 -4.98 107.32 105.32 2x54 s GLY 150 Ca 0.57 0.61 -0.20 0.00 0.00 0.00 0.00 44.72 45.70 2x54 s GLY 150 CO 0.45 0.95 1.17 0.54 0.00 0.00 0.00 173.10 176.20 2x54 s LYS 151 N -3.64 3.33 -0.19 2.90 1.02 -1.26 -4.47 119.74 117.42 2x54 s LYS 151 Ca 0.68 1.72 -0.21 0.00 0.02 0.00 0.00 55.97 58.18 2x54 s LYS 151 Cb -0.19 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2x54 s LYS 151 CO 0.31 -0.90 0.66 0.08 -0.92 0.00 0.00 175.35 174.58 2x54 s VAL 152 N -1.66 5.00 -0.06 3.17 1.01 -1.26 -4.86 120.40 121.74 2x54 s VAL 152 Ca 0.72 1.25 0.05 0.00 0.00 0.00 0.00 61.98 64.00 2x54 s VAL 152 Cb -0.27 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2x54 s VAL 152 CO 0.31 0.11 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 2x54 s ILE 153 N 1.89 1.78 0.04 2.22 1.01 -1.26 -5.03 121.20 121.86 2x54 s ILE 153 Ca 0.30 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 2x54 s ILE 153 Cb -0.16 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.71 2x54 s ILE 153 CO 0.11 0.50 1.56 0.00 0.00 0.00 0.00 174.94 177.11 2x54 s ALA 154 N 0.09 3.65 0.00 9.38 0.00 -1.26 -1.15 121.76 132.47 2x54 s ALA 154 Ca -0.08 1.09 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2x54 s ALA 154 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2x54 s ALA 154 CO 0.04 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.19 2x54 n GLY 155 N 3.86 2.73 0.13 0.00 0.00 -1.26 -4.79 105.19 105.87 2x54 n GLY 155 Ca 0.15 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2x54 n GLY 155 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2x54 h MET 156 N 0.00 0.27 -6.32 1.61 2.07 -1.68 -3.43 114.93 107.46 2x54 h MET 156 Ca 0.00 -0.46 -0.53 0.00 -2.07 0.00 0.00 59.70 56.64 2x54 h MET 156 Cb 0.00 0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 2x54 h MET 156 CO 0.00 1.17 -0.26 -1.12 1.07 0.00 0.00 176.91 177.77 2x54 s SER 157 N -7.01 6.41 -0.75 1.22 0.01 -0.30 -0.40 113.70 112.89 2x54 s SER 157 Ca -0.19 0.52 -0.26 0.00 1.31 0.00 0.00 55.95 57.33 2x54 s SER 157 Cb 0.06 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.25 2x54 s SER 157 CO 0.80 -0.09 1.40 -0.75 0.41 0.00 0.00 173.24 175.01 2x54 s LYS 158 N -3.37 3.12 0.01 12.44 2.20 -1.22 -4.78 119.74 128.14 2x54 s LYS 158 Ca 0.41 -0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 55.70 2x54 s LYS 158 Cb -0.11 -4.35 0.02 0.00 -1.51 0.00 0.00 37.83 31.88 2x54 s LYS 158 CO 0.29 -2.28 0.26 0.96 -0.36 0.00 0.00 175.35 174.23 2x54 s ILE 159 N 6.30 0.08 -0.84 5.43 -4.36 -1.26 -4.91 121.20 121.64 2x54 s ILE 159 Ca 0.42 -0.63 -0.11 0.00 -0.26 0.00 0.00 60.65 60.07 2x54 s ILE 159 Cb -0.08 -0.72 0.22 0.00 1.25 0.00 0.00 42.46 43.13 2x54 s ILE 159 CO 0.13 -0.35 0.77 -0.31 0.24 0.00 0.00 174.94 175.42 2x54 s TYR 160 N -1.85 3.79 0.12 1.37 2.02 -1.26 -4.12 117.35 117.42 2x54 s TYR 160 Ca -0.10 -2.27 0.01 0.00 -0.37 0.00 0.00 57.07 54.33 2x54 s TYR 160 Cb -0.04 -3.69 0.01 0.00 -0.40 0.00 0.00 41.96 37.84 2x54 s TYR 160 CO 0.01 -0.95 0.05 0.41 -1.57 0.00 0.00 175.55 173.50 2x54 n GLY 161 N 3.61 3.43 7.00 0.71 0.00 -1.24 -4.44 105.19 114.25 2x54 n GLY 161 Ca 0.15 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2x54 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x54 n GLY 162 N 3.61 2.71 3.73 -0.02 0.00 -1.26 -2.26 105.19 111.70 2x54 n GLY 162 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2x54 n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x54 s THR 163 N 0.00 2.79 0.41 2.61 -4.23 -1.26 -4.75 115.64 111.22 2x54 s THR 163 Ca 0.00 0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 60.85 2x54 s THR 163 Cb 0.00 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 2x54 s THR 163 CO 0.00 0.07 1.39 0.00 -0.54 0.00 0.00 174.62 175.53 2x54 s ALA 164 N 0.67 3.33 -0.79 3.99 0.00 -1.26 -1.73 121.76 125.96 2x54 s ALA 164 Ca 0.64 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.97 2x54 s ALA 164 Cb -0.41 -3.55 0.20 0.00 0.00 0.00 0.00 23.12 19.36 2x54 s ALA 164 CO 0.36 -1.00 2.34 -0.35 0.00 0.00 0.00 175.76 177.10 2x54 n PRO 165 N 0.12 3.27 0.00 0.00 -0.04 -1.26 -5.05 135.00 132.04 2x54 n PRO 165 Ca 0.03 -3.23 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 2x54 n PRO 165 Cb 0.42 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2x54 n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x54 n GLY 166 N 0.39 -0.85 3.64 0.55 0.00 -0.71 -4.94 105.19 103.27 2x54 n GLY 166 Ca 0.52 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 2x54 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 s ASN 167 N -2.83 -0.74 -0.10 1.61 2.20 -0.96 -4.78 114.94 109.34 2x54 s ASN 167 Ca 0.00 1.21 0.01 0.00 -0.94 0.00 0.00 52.86 53.14 2x54 s ASN 167 Cb 0.00 1.29 0.02 0.00 -2.00 0.00 0.00 41.25 40.56 2x54 s ASN 167 CO 0.00 -0.19 -0.10 -0.72 -2.94 0.00 0.00 177.10 173.14 2x54 s TYR 168 N 1.35 1.55 -0.13 1.54 -0.85 -1.26 -3.68 117.35 115.87 2x54 s TYR 168 Ca -0.08 -0.71 -0.07 0.00 -0.52 0.00 0.00 57.07 55.69 2x54 s TYR 168 Cb -0.04 -1.21 -0.04 0.00 0.38 0.00 0.00 41.96 41.05 2x54 s TYR 168 CO -0.16 -0.43 0.12 0.15 -1.52 0.00 0.00 175.55 173.71 2x54 s LYS 169 N 1.24 3.55 -0.46 -3.49 1.02 -1.26 -5.07 119.74 115.27 2x54 s LYS 169 Ca -0.03 -0.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 2x54 s LYS 169 Cb -0.14 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2x54 s LYS 169 CO -0.03 0.67 0.95 0.71 -0.92 0.00 0.00 175.35 176.72 2x54 s TYR 170 N -0.71 2.91 0.22 3.18 2.02 -1.26 -4.37 117.35 119.34 2x54 s TYR 170 Ca 0.13 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.28 2x54 s TYR 170 Cb -0.12 -4.03 0.02 0.00 -0.40 0.00 0.00 41.96 37.43 2x54 s TYR 170 CO 0.03 -1.12 0.15 -0.89 -1.57 0.00 0.00 175.55 172.15 2x54 n ILE 171 N 6.47 0.00 -3.73 2.71 5.41 -1.26 -4.95 119.36 124.01 2x54 n ILE 171 Ca 0.07 -0.90 -0.37 0.00 1.00 0.00 0.00 62.75 62.54 2x54 n ILE 171 Cb 0.49 -0.25 -0.11 0.00 -0.71 0.00 0.00 39.64 39.05 2x54 n ILE 171 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2x54 s LYS 172 N -2.90 2.13 0.00 0.38 2.47 -1.26 -4.19 119.74 116.37 2x54 s LYS 172 Ca 0.11 -1.78 0.00 0.00 -1.56 0.00 0.00 55.97 52.74 2x54 s LYS 172 Cb -0.01 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 2x54 s LYS 172 CO 0.07 -1.08 0.00 0.41 0.16 0.00 0.00 175.35 174.91 2x54 n GLY 173 N 4.67 3.01 0.14 5.54 0.00 -1.26 -4.77 105.19 112.53 2x54 n GLY 173 Ca -0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 2x54 n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x54 h THR 174 N 0.00 0.95 0.00 2.61 1.35 -1.98 -3.48 112.91 112.36 2x54 h THR 174 Ca 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2x54 h THR 174 Cb 0.00 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2x54 h THR 174 CO 0.00 0.84 0.00 -0.24 -0.25 0.00 0.00 175.52 175.87 2x54 n SER 175 N -3.64 0.00 -3.93 5.36 2.88 -1.26 -4.54 113.62 108.49 2x54 n SER 175 Ca -0.25 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.04 2x54 n SER 175 Cb 1.05 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.34 2x54 n SER 175 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2x54 s TYR 176 N 0.00 1.38 -0.12 0.66 -0.85 -1.26 -4.27 117.35 112.89 2x54 s TYR 176 Ca 0.00 -0.62 0.03 0.00 -0.52 0.00 0.00 57.07 55.96 2x54 s TYR 176 Cb 0.00 -1.13 0.01 0.00 0.38 0.00 0.00 41.96 41.22 2x54 s TYR 176 CO 0.00 -0.42 -0.21 0.95 -1.52 0.00 0.00 175.55 174.35 2x54 s THR 177 N 1.39 1.92 0.26 -3.49 -4.23 0.46 -4.89 115.64 107.06 2x54 s THR 177 Ca -0.01 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.27 2x54 s THR 177 Cb -0.13 -1.70 -0.12 0.00 1.34 0.00 0.00 72.50 71.89 2x54 s THR 177 CO -0.04 0.53 1.64 -1.22 -0.54 0.00 0.00 174.62 174.99 2x54 n TYR 178 N 3.90 2.79 0.08 3.99 4.01 -1.26 -3.46 117.16 127.22 2x54 n TYR 178 Ca -0.20 0.17 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 2x54 n TYR 178 Cb 0.52 -2.63 -0.08 0.00 -0.31 0.00 0.00 39.34 36.85 2x54 n TYR 178 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2x54 h TYR 179 N 5.59 -0.12 0.00 -0.72 -0.00 -1.89 -3.48 116.97 116.34 2x54 h TYR 179 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2x54 h TYR 179 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 36.73 37.99 2x54 h TYR 179 CO 0.61 -0.03 0.00 0.41 -0.00 0.00 0.00 178.16 179.15 2x54 n GLY 180 N -1.00 2.16 2.97 0.10 0.00 -1.26 -1.89 105.19 106.27 2x54 n GLY 180 Ca -0.08 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2x54 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x54 s GLU 181 N 4.55 0.42 0.07 1.61 2.02 -1.26 -5.03 118.70 121.08 2x54 s GLU 181 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 54.97 54.40 2x54 s GLU 181 Cb 0.00 -0.36 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 2x54 s GLU 181 CO 0.00 0.09 1.73 -1.54 0.02 0.00 0.00 175.26 175.56 2x54 s SER 182 N -0.40 6.55 -0.75 -0.19 1.04 -1.26 -2.88 113.70 115.81 2x54 s SER 182 Ca -0.01 2.55 -0.01 0.00 0.48 0.00 0.00 55.95 58.96 2x54 s SER 182 Cb -0.03 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2x54 s SER 182 CO -0.00 -0.93 0.70 -0.67 0.98 0.00 0.00 173.24 173.31 2x54 n ASP 183 N 5.93 -7.12 0.06 7.02 2.03 -1.26 -4.92 116.55 118.28 2x54 n ASP 183 Ca 0.17 -0.21 0.12 0.00 0.52 0.00 0.00 54.79 55.40 2x54 n ASP 183 Cb 0.40 -4.97 0.48 0.00 -0.72 0.00 0.00 41.12 36.31 2x54 n ASP 183 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2x54 n ILE 184 N -2.04 0.47 0.38 5.18 0.13 -1.14 -3.59 119.36 118.75 2x54 n ILE 184 Ca -0.02 -0.05 0.09 0.00 -1.10 0.00 0.00 62.75 61.68 2x54 n ILE 184 Cb 0.53 -0.69 0.40 0.00 -0.84 0.00 0.00 39.64 39.04 2x54 n ILE 184 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2x54 n ASP 185 N -1.90 0.36 0.09 9.51 -0.08 -1.26 -2.65 116.55 120.61 2x54 n ASP 185 Ca 0.05 0.60 -0.07 0.00 -1.51 0.00 0.00 54.79 53.86 2x54 n ASP 185 Cb 0.34 -0.67 0.03 0.00 2.34 0.00 0.00 41.12 43.15 2x54 n ASP 185 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2x54 h ARG 186 N 0.00 0.19 -6.18 -0.67 0.11 -1.94 -3.44 114.38 102.45 2x54 h ARG 186 Ca 0.00 -0.19 -0.57 0.00 0.10 0.00 0.00 59.98 59.32 2x54 h ARG 186 Cb 0.26 0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.35 2x54 h ARG 186 CO 0.00 0.90 0.80 -0.51 0.10 0.00 0.00 179.97 181.26 2x54 s LEU 187 N -7.54 4.19 -0.08 0.08 2.01 -1.09 -5.03 118.68 111.23 2x54 s LEU 187 Ca -0.03 1.63 -0.05 0.00 0.01 0.00 0.00 54.13 55.69 2x54 s LEU 187 Cb 0.11 -3.54 0.03 0.00 0.01 0.00 0.00 46.19 42.79 2x54 s LEU 187 CO 0.82 -0.67 0.20 -0.94 1.01 0.00 0.00 176.35 176.77 2x54 s SER 188 N 1.59 -0.20 -0.14 2.29 1.04 -1.26 -3.90 113.70 113.12 2x54 s SER 188 Ca 0.52 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.36 2x54 s SER 188 Cb -0.20 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.28 2x54 s SER 188 CO 0.15 -0.12 -0.14 -0.60 0.98 0.00 0.00 173.24 173.50 2x54 s ARG 189 N 0.76 2.26 -1.13 4.02 3.52 -0.89 -4.93 118.95 122.56 2x54 s ARG 189 Ca -0.05 -0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 54.87 2x54 s ARG 189 Cb -0.07 -2.05 0.20 0.00 -1.56 0.00 0.00 34.95 31.47 2x54 s ARG 189 CO -0.04 -0.20 1.27 -1.58 -0.81 0.00 0.00 175.30 173.93 2x54 s TRP 190 N 1.40 3.72 0.14 5.12 0.52 -1.26 -0.48 118.94 128.11 2x54 s TRP 190 Ca 0.03 -2.23 -0.31 0.00 0.02 0.00 0.00 56.10 53.61 2x54 s TRP 190 Cb -0.13 -4.14 -0.08 0.00 -1.15 0.00 0.00 33.47 27.97 2x54 s TRP 190 CO -0.09 -1.25 1.38 0.34 0.02 0.00 0.00 176.95 177.35 2x54 s ASP 191 N 2.41 6.83 -0.29 2.95 -1.08 -1.26 -2.08 116.67 124.14 2x54 s ASP 191 Ca 0.37 2.37 -0.01 0.00 -0.52 0.00 0.00 52.55 54.76 2x54 s ASP 191 Cb -0.06 -2.59 0.05 0.00 -1.46 0.00 0.00 42.92 38.86 2x54 s ASP 191 CO -0.04 -0.63 -0.03 -0.63 0.52 0.00 0.00 175.17 174.36 2x54 s ILE 192 N 0.84 2.80 -0.17 4.11 1.01 -0.22 -4.99 121.20 124.59 2x54 s ILE 192 Ca 0.63 -1.44 0.16 0.00 0.00 0.00 0.00 60.65 60.00 2x54 s ILE 192 Cb -0.37 -2.61 -0.24 0.00 0.01 0.00 0.00 42.46 39.24 2x54 s ILE 192 CO 0.33 -0.08 0.19 0.29 0.00 0.00 0.00 174.94 175.66 2x54 n LYS 193 N 4.58 0.68 -4.28 2.79 5.02 -1.26 -1.98 118.16 123.70 2x54 n LYS 193 Ca -0.13 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 2x54 n LYS 193 Cb 0.43 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 2x54 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2x54 s GLU 194 N -2.51 1.14 -0.00 1.97 0.41 -1.26 -4.86 118.70 113.59 2x54 s GLU 194 Ca -0.10 -1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 52.85 2x54 s GLU 194 Cb 0.07 -1.11 -0.07 0.00 -1.78 0.00 0.00 34.13 31.23 2x54 s GLU 194 CO 0.82 0.22 1.74 -2.00 -0.49 0.00 0.00 175.26 175.55 2x54 s GLU 195 N -2.71 4.17 0.06 1.61 2.12 -1.26 -4.73 118.70 117.96 2x54 s GLU 195 Ca 0.12 2.33 0.02 0.00 0.36 0.00 0.00 54.97 57.80 2x54 s GLU 195 Cb -0.05 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2x54 s GLU 195 CO 0.05 -0.85 0.10 0.96 -0.54 0.00 0.00 175.26 174.98 2x54 s ILE 196 N 3.82 4.72 -0.07 -3.70 -5.25 -0.93 -4.71 121.20 115.08 2x54 s ILE 196 Ca 0.77 -0.63 0.15 0.00 -0.99 0.00 0.00 60.65 59.95 2x54 s ILE 196 Cb -0.37 -3.26 -0.22 0.00 2.95 0.00 0.00 42.46 41.56 2x54 s ILE 196 CO 0.33 0.17 0.24 2.22 -1.79 0.00 0.00 174.94 176.11 2x54 n PHE 197 N 0.57 0.00 -3.45 1.37 -0.00 -1.18 -2.18 117.46 112.59 2x54 n PHE 197 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.24 2x54 n PHE 197 Cb 0.52 -0.50 -0.03 0.00 -0.00 0.00 0.00 39.48 39.47 2x54 n PHE 197 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2x54 s SER 198 N -4.19 -0.55 0.04 5.98 1.04 -1.21 -4.56 113.70 110.25 2x54 s SER 198 Ca -0.06 0.11 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 2x54 s SER 198 Cb 0.08 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2x54 s SER 198 CO 0.64 -0.85 0.45 0.72 0.98 0.00 0.00 173.24 175.18 2x54 s PHE 199 N -3.24 -0.33 -0.52 5.02 -0.71 -1.26 -2.14 117.98 114.81 2x54 s PHE 199 Ca -0.00 0.34 0.04 0.00 -1.04 0.00 0.00 56.93 56.27 2x54 s PHE 199 Cb -0.01 0.26 0.13 0.00 -1.21 0.00 0.00 43.02 42.19 2x54 s PHE 199 CO -0.09 -0.59 0.26 1.41 -1.34 0.00 0.00 175.22 174.87 2x54 s MET 200 N -2.37 1.93 -0.02 1.99 1.75 -0.71 -1.11 119.30 120.76 2x54 s MET 200 Ca -0.06 -2.59 -0.10 0.00 -1.25 0.00 0.00 55.69 51.69 2x54 s MET 200 Cb -0.01 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.36 2x54 s MET 200 CO -0.01 -1.12 0.30 0.20 -0.65 0.00 0.00 175.02 173.74 2x54 s GLY 201 N -0.26 2.32 -0.41 2.11 0.00 -0.64 -2.77 107.32 107.68 2x54 s GLY 201 Ca 0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2x54 s GLY 201 CO -0.00 -0.15 0.17 -0.42 0.00 0.00 0.00 173.10 172.70 2x54 s ILE 202 N -1.14 2.99 -0.17 0.90 1.09 0.60 -1.43 121.20 124.02 2x54 s ILE 202 Ca 0.23 -2.25 -0.12 0.00 -1.10 0.00 0.00 60.65 57.41 2x54 s ILE 202 Cb -0.14 -3.08 -0.05 0.00 -1.06 0.00 0.00 42.46 38.13 2x54 s ILE 202 CO 0.12 -0.68 0.22 -0.76 -0.10 0.00 0.00 174.94 173.74 2x54 s LEU 203 N 0.94 4.23 -0.35 2.97 1.43 -0.58 -1.25 118.68 126.07 2x54 s LEU 203 Ca 0.10 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 2x54 s LEU 203 Cb -0.22 -2.25 0.05 0.00 0.03 0.00 0.00 46.19 43.80 2x54 s LEU 203 CO -0.05 0.14 0.13 -0.31 0.23 0.00 0.00 176.35 176.49 2x54 s TYR 204 N 0.38 3.28 0.65 0.29 2.02 -0.41 0.56 117.35 124.12 2x54 s TYR 204 Ca 0.13 -1.44 -0.14 0.00 -0.37 0.00 0.00 57.07 55.25 2x54 s TYR 204 Cb -0.12 -2.41 -0.01 0.00 -0.40 0.00 0.00 41.96 39.02 2x54 s TYR 204 CO 0.01 -0.75 1.07 -2.14 -1.57 0.00 0.00 175.55 172.18 2x54 s PRO 205 N 1.41 3.02 -0.01 -1.71 0.02 -1.26 -1.34 135.00 135.12 2x54 s PRO 205 Ca -0.00 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.17 2x54 s PRO 205 Cb -0.20 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 2x54 s PRO 205 CO 0.03 -1.04 -0.02 1.63 -0.33 0.00 0.00 177.00 177.26 2x54 n LYS 206 N -2.53 0.04 -4.37 5.54 5.02 0.80 -4.57 118.16 118.09 2x54 n LYS 206 Ca 0.09 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 2x54 n LYS 206 Cb 0.53 -0.63 -0.10 0.00 -0.02 0.00 0.00 35.03 34.80 2x54 n LYS 206 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x54 s LEU 207 N -5.09 3.48 0.39 -0.35 1.43 -1.26 -5.00 118.68 112.28 2x54 s LEU 207 Ca -0.02 0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2x54 s LEU 207 Cb 0.00 -1.81 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 2x54 s LEU 207 CO 0.03 0.30 0.97 -2.16 0.23 0.00 0.00 176.35 175.72 2x54 s PRO 208 N -0.41 4.33 0.00 1.29 0.04 -1.26 -3.73 135.00 135.25 2x54 s PRO 208 Ca 0.07 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2x54 s PRO 208 Cb -0.12 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2x54 s PRO 208 CO 0.02 0.04 0.00 1.63 0.04 0.00 0.00 177.00 178.73 2x54 n LYS 209 N -0.09 -0.05 -4.39 4.56 5.02 -0.33 -4.99 118.16 117.90 2x54 n LYS 209 Ca 0.05 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 2x54 n LYS 209 Cb 0.52 -2.85 -0.13 0.00 -0.02 0.00 0.00 35.03 32.55 2x54 n LYS 209 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x54 s THR 210 N -3.26 3.68 -0.14 -0.18 2.01 -1.24 -4.90 115.64 111.61 2x54 s THR 210 Ca 0.00 -0.43 -0.37 0.00 0.31 0.00 0.00 61.69 61.20 2x54 s THR 210 Cb 0.00 -2.61 -0.14 0.00 0.01 0.00 0.00 72.50 69.75 2x54 s THR 210 CO 0.00 0.48 1.72 -0.81 -0.69 0.00 0.00 174.62 175.32 2x54 n PRO 211 N 3.74 1.54 -5.25 4.92 -0.04 -1.26 -4.74 135.00 133.90 2x54 n PRO 211 Ca -0.18 0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 63.53 2x54 n PRO 211 Cb 0.52 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.52 2x54 n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x54 s ALA 212 N 3.06 2.17 0.00 0.55 0.00 0.79 -4.29 121.76 124.04 2x54 s ALA 212 Ca 0.93 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2x54 s ALA 212 Cb -0.91 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2x54 s ALA 212 CO 0.57 0.37 0.00 0.41 0.00 0.00 0.00 175.76 177.10 2x54 n GLY 213 N 3.18 -0.51 3.35 0.00 0.00 -0.31 0.01 105.19 110.91 2x54 n GLY 213 Ca -0.18 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2x54 n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x54 s VAL 214 N -3.59 2.07 0.02 1.61 -7.23 0.71 -0.31 120.40 113.68 2x54 s VAL 214 Ca 0.00 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2x54 s VAL 214 Cb 0.00 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 2x54 s VAL 214 CO 0.00 0.09 -0.14 0.00 -0.31 0.00 0.00 175.10 174.74 2x54 s ARG 215 N -1.87 1.00 -0.12 4.82 1.70 -0.86 -0.75 118.95 122.88 2x54 s ARG 215 Ca 0.11 -0.68 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 2x54 s ARG 215 Cb -0.10 -1.00 -0.01 0.00 -0.57 0.00 0.00 34.95 33.27 2x54 s ARG 215 CO 0.05 0.26 -0.17 -0.06 -1.08 0.00 0.00 175.30 174.30 2x54 s PHE 216 N -0.69 2.72 0.05 5.89 0.08 -0.64 -0.38 117.98 125.01 2x54 s PHE 216 Ca 0.03 -0.75 0.06 0.00 0.12 0.00 0.00 56.93 56.40 2x54 s PHE 216 Cb -0.07 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2x54 s PHE 216 CO 0.01 -0.26 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.21 2x54 s LEU 217 N 0.28 2.78 0.00 -0.37 1.43 -0.27 -2.47 118.68 120.06 2x54 s LEU 217 Ca -0.12 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2x54 s LEU 217 Cb -0.16 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.52 2x54 s LEU 217 CO 0.06 0.25 0.47 -0.90 0.23 0.00 0.00 176.35 176.46 2x54 n ASP 218 N 1.40 0.18 0.32 2.29 3.85 0.02 -2.18 116.55 122.43 2x54 n ASP 218 Ca -0.16 -1.26 0.19 0.00 -0.71 0.00 0.00 54.79 52.86 2x54 n ASP 218 Cb 0.52 -0.35 1.05 0.00 -1.35 0.00 0.00 41.12 41.00 2x54 n ASP 218 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2x54 h ASP 219 N -0.54 0.00 -0.39 -1.12 -0.00 -1.88 -2.30 116.42 110.20 2x54 h ASP 219 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 2x54 h ASP 219 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 2x54 h ASP 219 CO 0.12 0.01 0.00 2.30 -0.00 0.00 0.00 179.24 181.67 2x54 n ILE 220 N -3.39 0.59 -1.79 4.15 -5.35 -1.26 -4.98 119.36 107.33 2x54 n ILE 220 Ca -0.03 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 2x54 n ILE 220 Cb 0.10 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 2x54 n ILE 220 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x54 n GLY 221 N 1.30 0.46 3.56 3.28 0.00 -0.86 -5.07 105.19 107.85 2x54 n GLY 221 Ca 0.18 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2x54 n GLY 221 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x54 s ASN 222 N -2.94 4.82 0.08 1.61 0.01 -1.26 -4.84 114.94 112.42 2x54 s ASN 222 Ca 0.00 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.80 2x54 s ASN 222 Cb 0.00 -1.54 -0.06 0.00 0.41 0.00 0.00 41.25 40.06 2x54 s ASN 222 CO 0.00 0.26 1.16 -0.70 -1.51 0.00 0.00 177.10 176.31 2x54 s GLU 223 N -0.21 4.48 -0.07 -0.60 2.12 -1.26 -0.80 118.70 122.36 2x54 s GLU 223 Ca 0.04 1.73 0.08 0.00 0.36 0.00 0.00 54.97 57.17 2x54 s GLU 223 Cb -0.13 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 2x54 s GLU 223 CO 0.02 -0.17 0.06 2.48 -0.54 0.00 0.00 175.26 177.12 2x54 n TYR 224 N 3.59 0.00 -3.58 5.30 0.18 -1.03 -4.97 117.16 116.65 2x54 n TYR 224 Ca 0.07 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.72 2x54 n TYR 224 Cb 0.47 -0.37 -0.05 0.00 -0.38 0.00 0.00 39.34 39.00 2x54 n TYR 224 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2x54 s THR 225 N -2.28 0.04 -0.29 -3.48 -1.32 -1.26 -4.35 115.64 102.70 2x54 s THR 225 Ca -0.04 -0.30 -0.13 0.00 -1.21 0.00 0.00 61.69 60.00 2x54 s THR 225 Cb 0.03 -1.01 0.10 0.00 -1.51 0.00 0.00 72.50 70.11 2x54 s THR 225 CO 0.35 -0.17 0.67 0.00 -2.21 0.00 0.00 174.62 173.26 2x54 s ALA 226 N -2.88 -1.94 -0.48 11.08 0.00 -0.47 -1.63 121.76 125.45 2x54 s ALA 226 Ca -0.03 2.38 -0.15 0.00 0.00 0.00 0.00 51.96 54.16 2x54 s ALA 226 Cb -0.00 -1.57 0.08 0.00 0.00 0.00 0.00 23.12 21.63 2x54 s ALA 226 CO -0.05 -0.61 0.41 0.42 0.00 0.00 0.00 175.76 175.92 2x54 s ILE 227 N 2.18 5.19 0.01 0.00 -1.09 0.07 -2.22 121.20 125.33 2x54 s ILE 227 Ca -0.08 -1.14 0.02 0.00 -2.23 0.00 0.00 60.65 57.22 2x54 s ILE 227 Cb -0.08 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2x54 s ILE 227 CO -0.19 -0.62 -0.07 0.54 -1.23 0.00 0.00 174.94 173.37 2x54 s VAL 228 N 1.63 0.50 -0.02 2.92 0.11 -1.26 -0.21 120.40 124.06 2x54 s VAL 228 Ca 0.04 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2x54 s VAL 228 Cb -0.25 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2x54 s VAL 228 CO 0.06 -0.05 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.29 2x54 s PHE 229 N -0.58 1.28 -0.68 1.54 0.08 0.10 -1.50 117.98 118.23 2x54 s PHE 229 Ca -0.02 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 56.70 2x54 s PHE 229 Cb -0.05 -0.86 0.17 0.00 -0.57 0.00 0.00 43.02 41.72 2x54 s PHE 229 CO 0.00 -0.08 0.51 -1.59 -0.10 0.00 0.00 175.22 173.95 2x54 s LYS 230 N -0.08 2.72 0.31 0.44 -2.85 -1.22 -0.15 119.74 118.91 2x54 s LYS 230 Ca 0.00 -2.67 -0.08 0.00 -1.00 0.00 0.00 55.97 52.23 2x54 s LYS 230 Cb -0.08 -3.78 -0.06 0.00 -2.06 0.00 0.00 37.83 31.85 2x54 s LYS 230 CO 0.00 -1.20 0.62 0.95 0.10 0.00 0.00 175.35 175.83 2x54 s THR 231 N -0.30 4.93 0.11 3.79 -4.23 -1.26 -4.94 115.64 113.74 2x54 s THR 231 Ca 0.19 0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 2x54 s THR 231 Cb -0.18 -3.71 -0.17 0.00 1.34 0.00 0.00 72.50 69.79 2x54 s THR 231 CO -0.05 -0.33 1.30 -0.33 -0.54 0.00 0.00 174.62 174.68 2x54 h GLU 232 N 1.74 0.66 -6.08 3.99 3.07 -1.96 -0.86 114.58 115.14 2x54 h GLU 232 Ca -0.47 -0.59 -0.58 0.00 -0.50 0.00 0.00 59.36 57.21 2x54 h GLU 232 Cb 1.18 0.14 -0.14 0.00 -0.84 0.00 0.00 28.75 29.10 2x54 h GLU 232 CO 0.66 1.20 -0.75 -0.65 -1.40 0.00 0.00 179.01 178.07 2x54 s GLN 233 N -3.57 1.63 -0.21 2.33 1.11 -1.26 -4.34 119.66 115.35 2x54 s GLN 233 Ca -0.09 -1.75 -0.29 0.00 0.01 0.00 0.00 55.36 53.24 2x54 s GLN 233 Cb 0.09 -1.65 -0.03 0.00 -1.01 0.00 0.00 33.01 30.41 2x54 s GLN 233 CO 0.89 0.29 1.58 0.08 0.01 0.00 0.00 175.29 178.14 2x54 s VAL 234 N -2.60 3.75 0.40 1.09 1.01 -1.26 -4.81 120.40 117.97 2x54 s VAL 234 Ca 0.29 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 2x54 s VAL 234 Cb -0.04 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2x54 s VAL 234 CO 0.14 -0.28 0.98 -1.10 0.00 0.00 0.00 175.10 174.84 2x54 s GLN 235 N 4.53 4.26 0.25 2.72 -1.52 -1.26 -4.95 119.66 123.68 2x54 s GLN 235 Ca 0.70 1.29 -0.05 0.00 -1.95 0.00 0.00 55.36 55.35 2x54 s GLN 235 Cb -0.25 -2.41 0.28 0.00 -0.22 0.00 0.00 33.01 30.40 2x54 s GLN 235 CO 0.28 -0.02 1.80 -0.44 -0.25 0.00 0.00 175.29 176.66 2x54 h ASP 236 N 2.33 0.95 -4.45 5.90 5.19 -0.62 -3.38 116.42 122.34 2x54 h ASP 236 Ca -0.48 -0.16 0.05 0.00 -0.62 0.00 0.00 57.03 55.82 2x54 h ASP 236 Cb 1.20 -0.25 -0.20 0.00 0.18 0.00 0.00 39.33 40.26 2x54 h ASP 236 CO 0.62 0.87 0.44 -0.72 -3.12 0.00 0.00 179.24 177.33 2x54 s TYR 237 N -5.39 -0.44 -0.33 4.55 1.13 -1.01 -4.52 117.35 111.34 2x54 s TYR 237 Ca -0.11 0.67 -0.04 0.00 -1.41 0.00 0.00 57.07 56.18 2x54 s TYR 237 Cb 0.16 0.46 0.05 0.00 -1.10 0.00 0.00 41.96 41.52 2x54 s TYR 237 CO 0.82 -0.46 0.06 0.42 -2.51 0.00 0.00 175.55 173.89 2x54 s ILE 238 N -1.56 3.40 -0.35 -3.49 1.01 0.19 0.06 121.20 120.46 2x54 s ILE 238 Ca -0.03 -1.30 -0.21 0.00 0.00 0.00 0.00 60.65 59.11 2x54 s ILE 238 Cb -0.00 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2x54 s ILE 238 CO 0.01 -0.18 0.66 -0.22 0.00 0.00 0.00 174.94 175.22 2x54 s LEU 239 N 1.32 4.22 -0.08 2.97 0.20 0.13 -1.52 118.68 125.92 2x54 s LEU 239 Ca -0.03 0.23 0.05 0.00 0.69 0.00 0.00 54.13 55.07 2x54 s LEU 239 Cb -0.20 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 2x54 s LEU 239 CO 0.01 -0.60 -0.24 0.27 -0.29 0.00 0.00 176.35 175.49 2x54 s ILE 240 N 2.77 2.04 -0.12 6.68 -5.25 -0.52 -1.31 121.20 125.49 2x54 s ILE 240 Ca 0.26 -1.04 0.01 0.00 -0.99 0.00 0.00 60.65 58.89 2x54 s ILE 240 Cb -0.14 -1.75 0.02 0.00 2.95 0.00 0.00 42.46 43.54 2x54 s ILE 240 CO 0.15 0.56 -0.14 0.21 -1.79 0.00 0.00 174.94 173.93 2x54 s ASN 241 N 0.10 2.52 0.00 4.36 3.84 0.20 -1.62 114.94 124.34 2x54 s ASN 241 Ca -0.11 -0.44 0.28 0.00 0.21 0.00 0.00 52.86 52.79 2x54 s ASN 241 Cb -0.16 -1.11 1.03 0.00 -0.55 0.00 0.00 41.25 40.46 2x54 s ASN 241 CO 0.06 -0.02 1.73 0.35 -2.79 0.00 0.00 177.10 176.43 2x54 n THR 242 N 4.48 0.00 -1.66 -5.21 -2.24 -0.26 -1.92 114.28 107.46 2x54 n THR 242 Ca -0.18 -0.14 -0.46 0.00 -2.27 0.00 0.00 64.05 61.00 2x54 n THR 242 Cb 0.51 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 2x54 n THR 242 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x54 n ASP 243 N -0.47 2.81 -0.15 3.42 -0.08 -1.26 -4.77 116.55 116.06 2x54 n ASP 243 Ca 0.16 1.11 -0.08 0.00 -1.51 0.00 0.00 54.79 54.46 2x54 n ASP 243 Cb 0.32 -1.40 0.00 0.00 2.34 0.00 0.00 41.12 42.38 2x54 n ASP 243 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2x54 h VAL 244 N 3.38 1.17 -0.51 5.18 -1.51 -1.94 -2.01 116.25 120.00 2x54 h VAL 244 Ca -0.45 -0.46 -0.04 0.00 -1.23 0.00 0.00 66.70 64.52 2x54 h VAL 244 Cb 1.27 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 2x54 h VAL 244 CO 0.83 0.18 0.15 0.78 -1.23 0.00 0.00 177.57 178.28 2x54 h ASN 245 N 0.57 0.76 -2.08 4.19 2.35 -2.00 -3.33 115.58 116.03 2x54 h ASN 245 Ca 0.15 -0.21 -0.57 0.00 -0.55 0.00 0.00 56.30 55.12 2x54 h ASN 245 Cb 0.09 -0.20 -0.40 0.00 0.05 0.00 0.00 38.32 37.85 2x54 h ASN 245 CO -0.02 0.77 -0.93 -0.90 -1.65 0.00 0.00 177.43 174.70 2x54 n ASP 246 N -4.47 1.59 -4.71 5.81 5.75 -1.23 -5.10 116.55 114.19 2x54 n ASP 246 Ca 0.02 -3.01 -0.42 0.00 -0.01 0.00 0.00 54.79 51.37 2x54 n ASP 246 Cb 0.20 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 2x54 n ASP 246 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2x54 s GLU 247 N -1.81 4.16 -0.06 0.11 2.12 -0.76 -4.69 118.70 117.77 2x54 s GLU 247 Ca 0.38 2.52 0.01 0.00 0.36 0.00 0.00 54.97 58.24 2x54 s GLU 247 Cb 0.18 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.29 2x54 s GLU 247 CO -0.08 -0.74 -0.08 0.99 -0.54 0.00 0.00 175.26 174.81 2x54 s THR 248 N 1.79 0.81 -0.49 -1.70 2.01 -0.81 -4.98 115.64 112.28 2x54 s THR 248 Ca 0.75 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.54 2x54 s THR 248 Cb -0.46 -0.80 0.20 0.00 0.01 0.00 0.00 72.50 71.45 2x54 s THR 248 CO 0.33 0.29 0.46 -1.22 -0.69 0.00 0.00 174.62 173.80 2x54 n TYR 249 N 4.11 0.53 -5.21 4.92 4.01 -1.26 0.59 117.16 124.84 2x54 n TYR 249 Ca -0.22 -3.66 -0.31 0.00 -0.16 0.00 0.00 57.90 53.55 2x54 n TYR 249 Cb 0.51 -0.15 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 2x54 n TYR 249 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2x54 s GLN 250 N -0.84 2.26 -0.05 -0.72 -2.07 -0.43 -0.15 119.66 117.66 2x54 s GLN 250 Ca 0.33 -0.87 -0.06 0.00 -1.82 0.00 0.00 55.36 52.94 2x54 s GLN 250 Cb 0.07 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.82 2x54 s GLN 250 CO -0.15 0.55 0.19 0.20 -1.32 0.00 0.00 175.29 174.76 2x54 s GLY 251 N -0.57 2.20 -0.07 2.60 0.00 0.11 0.22 107.32 111.80 2x54 s GLY 251 Ca 0.09 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.19 2x54 s GLY 251 CO -0.00 -0.46 -0.21 -0.98 0.00 0.00 0.00 173.10 171.45 2x54 s TRP 252 N -1.20 2.17 -0.18 1.90 0.52 0.11 -0.18 118.94 122.08 2x54 s TRP 252 Ca 0.22 -0.78 -0.04 0.00 0.02 0.00 0.00 56.10 55.53 2x54 s TRP 252 Cb -0.13 -1.46 0.06 0.00 -1.15 0.00 0.00 33.47 30.79 2x54 s TRP 252 CO 0.12 -0.30 0.05 0.21 0.02 0.00 0.00 176.95 177.05 2x54 s LYS 253 N 0.23 0.44 7.36 4.98 2.20 -0.80 0.21 119.74 134.37 2x54 s LYS 253 Ca -0.12 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2x54 s LYS 253 Cb -0.15 -2.01 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2x54 s LYS 253 CO 0.06 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 2x54 n GLY 254 N 5.13 2.78 0.63 5.54 0.00 -1.26 -1.86 105.19 116.14 2x54 n GLY 254 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.95 2x54 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x54 n THR 255 N 0.00 0.17 -3.52 2.61 -2.24 -1.26 -4.98 114.28 105.05 2x54 n THR 255 Ca 0.00 -0.58 -0.37 0.00 -2.27 0.00 0.00 64.05 60.83 2x54 n THR 255 Cb 0.00 1.17 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 2x54 n THR 255 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x54 s THR 256 N -1.18 5.29 -0.22 4.28 2.01 -0.78 -5.09 115.64 119.96 2x54 s THR 256 Ca 0.19 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.65 2x54 s THR 256 Cb 0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2x54 s THR 256 CO 0.19 0.36 0.08 0.00 -0.69 0.00 0.00 174.62 174.56 2x54 s ALA 257 N 0.68 3.33 -0.08 7.40 0.00 -1.26 -1.90 121.76 129.93 2x54 s ALA 257 Ca 0.16 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2x54 s ALA 257 Cb -0.13 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2x54 s ALA 257 CO 0.04 -0.13 -0.20 -1.17 0.00 0.00 0.00 175.76 174.30 2x54 s LEU 258 N 0.96 2.34 -0.22 0.00 2.96 0.75 -4.99 118.68 120.48 2x54 s LEU 258 Ca 0.04 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.24 2x54 s LEU 258 Cb -0.14 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.09 2x54 s LEU 258 CO 0.03 0.23 1.09 0.21 -1.32 0.00 0.00 176.35 176.59 2x54 s ASN 259 N -0.07 7.06 0.00 3.68 2.47 -1.26 0.10 114.94 126.91 2x54 s ASN 259 Ca -0.05 1.41 0.23 0.00 0.42 0.00 0.00 52.86 54.88 2x54 s ASN 259 Cb -0.14 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.57 2x54 s ASN 259 CO 0.04 -0.71 1.41 0.18 -3.72 0.00 0.00 177.10 174.31 2x54 n LEU 260 N 6.43 3.16 -0.14 3.21 4.77 0.78 -4.64 117.00 130.57 2x54 n LEU 260 Ca 0.12 -1.32 -0.04 0.00 -0.03 0.00 0.00 56.01 54.75 2x54 n LEU 260 Cb 0.46 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 2x54 n LEU 260 CO 0.53 0.66 0.87 0.15 -1.33 0.00 0.00 177.39 178.27 2x54 h PHE 261 N 4.20 0.04 0.00 -1.77 3.57 -1.91 -2.70 116.94 118.36 2x54 h PHE 261 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2x54 h PHE 261 Cb 0.92 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 2x54 h PHE 261 CO 0.20 -0.06 -0.11 -1.35 -2.23 0.00 0.00 178.31 174.76 2x54 h PRO 262 N 0.15 0.00 0.00 6.41 0.11 -1.95 -3.01 132.00 133.72 2x54 h PRO 262 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2x54 h PRO 262 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2x54 h PRO 262 CO -0.33 0.11 -0.09 -0.24 -0.21 0.00 0.00 178.00 177.23 2x54 h VAL 263 N 0.00 0.00 -4.13 3.15 3.04 -1.82 -3.47 116.25 113.02 2x54 h VAL 263 Ca -0.00 -0.84 -0.54 0.00 -1.01 0.00 0.00 66.70 64.30 2x54 h VAL 263 Cb 0.60 1.79 0.14 0.00 -2.01 0.00 0.00 31.29 31.82 2x54 h VAL 263 CO 0.01 0.00 0.46 -0.32 -1.01 0.00 0.00 177.57 176.72 2x54 s MET 264 N -3.19 2.52 -0.46 4.17 0.00 -1.10 -3.38 119.30 117.87 2x54 s MET 264 Ca 0.07 1.89 -0.25 0.00 0.00 0.00 0.00 55.69 57.41 2x54 s MET 264 Cb 0.08 -1.86 0.03 0.00 0.00 0.00 0.00 34.83 33.07 2x54 s MET 264 CO 0.66 -1.57 0.89 0.34 0.00 0.00 0.00 175.02 175.34 2x54 s ASP 265 N -1.68 6.48 0.31 1.11 3.68 -0.56 -4.93 116.67 121.09 2x54 s ASP 265 Ca 0.78 0.07 0.16 0.00 2.13 0.00 0.00 52.55 55.70 2x54 s ASP 265 Cb -0.33 -2.43 0.34 0.00 -1.45 0.00 0.00 42.92 39.05 2x54 s ASP 265 CO 0.40 -1.01 1.57 -0.26 0.13 0.00 0.00 175.17 175.99 2x54 h PHE 266 N 9.04 0.00 -0.17 -5.34 0.04 -1.92 -3.27 116.94 115.32 2x54 h PHE 266 Ca -0.24 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.45 2x54 h PHE 266 Cb 1.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 2x54 h PHE 266 CO 0.85 0.47 -0.21 1.49 -0.60 0.00 0.00 178.31 180.32 2x54 h GLU 267 N 0.00 0.44 -0.30 1.51 4.81 -1.95 -3.31 114.58 115.78 2x54 h GLU 267 Ca -0.00 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2x54 h GLU 267 Cb 1.18 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2x54 h GLU 267 CO 0.06 0.82 -0.33 0.00 -0.73 0.00 0.00 179.01 178.83 2x54 h ARG 268 N 0.08 0.66 -5.83 1.92 3.08 -1.82 -3.38 114.38 109.09 2x54 h ARG 268 Ca 0.02 -0.31 -0.59 0.00 0.07 0.00 0.00 59.98 59.17 2x54 h ARG 268 Cb 0.76 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.73 2x54 h ARG 268 CO 0.05 0.90 1.85 -0.47 -1.07 0.00 0.00 179.97 181.24 2x54 s TYR 269 N -4.39 2.57 -0.06 3.04 6.14 -0.94 -1.37 117.35 122.33 2x54 s TYR 269 Ca -0.08 -1.07 -0.08 0.00 0.64 0.00 0.00 57.07 56.47 2x54 s TYR 269 Cb 0.13 -4.59 -0.29 0.00 0.42 0.00 0.00 41.96 37.62 2x54 s TYR 269 CO 0.83 -1.72 0.63 -0.09 0.64 0.00 0.00 175.55 175.83 2x54 h ARG 270 N 8.41 0.34 -4.16 4.97 2.43 -1.76 -3.47 114.38 121.14 2x54 h ARG 270 Ca 0.36 -0.58 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 2x54 h ARG 270 Cb 0.91 0.22 -0.15 0.00 -0.42 0.00 0.00 29.97 30.53 2x54 h ARG 270 CO 1.41 1.25 -0.62 -0.08 -1.51 0.00 0.00 179.97 180.42 2x54 s THR 271 N -2.58 0.20 -0.18 0.20 -1.32 -1.26 -5.06 115.64 105.65 2x54 s THR 271 Ca -0.16 -1.69 0.11 0.00 -1.21 0.00 0.00 61.69 58.74 2x54 s THR 271 Cb 0.06 -1.50 -0.23 0.00 -1.51 0.00 0.00 72.50 69.32 2x54 s THR 271 CO 0.84 -0.92 0.13 -1.14 -2.21 0.00 0.00 174.62 171.32 2x54 n ARG 272 N 0.07 0.68 -2.17 7.08 0.63 -1.26 -4.82 116.66 116.87 2x54 n ARG 272 Ca -0.14 0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.47 2x54 n ARG 272 Cb 0.61 -1.59 -0.02 0.00 0.45 0.00 0.00 32.46 31.91 2x54 n ARG 272 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x54 s ILE 273 N -2.52 3.75 -0.14 5.15 -1.09 -1.26 -4.70 121.20 120.39 2x54 s ILE 273 Ca -0.16 0.82 -0.20 0.00 -2.23 0.00 0.00 60.65 58.88 2x54 s ILE 273 Cb 0.07 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2x54 s ILE 273 CO 0.77 -0.41 0.55 -0.63 -1.23 0.00 0.00 174.94 173.99 2x54 s ILE 274 N 5.43 5.12 0.43 2.92 -1.09 -0.93 -5.01 121.20 128.07 2x54 s ILE 274 Ca 0.69 1.08 0.06 0.00 -2.23 0.00 0.00 60.65 60.25 2x54 s ILE 274 Cb -0.22 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 2x54 s ILE 274 CO 0.30 0.24 0.60 -1.61 -1.23 0.00 0.00 174.94 173.24 2x54 s GLU 275 N 1.09 2.84 0.08 2.79 0.41 -1.26 -2.20 118.70 122.45 2x54 s GLU 275 Ca 0.28 -1.07 -0.31 0.00 -0.41 0.00 0.00 54.97 53.46 2x54 s GLU 275 Cb -0.16 -2.71 -0.10 0.00 -1.78 0.00 0.00 34.13 29.38 2x54 s GLU 275 CO 0.11 -0.30 1.89 1.63 -0.49 0.00 0.00 175.26 178.11 2x54 n LYS 276 N -1.92 2.79 0.00 1.61 5.02 -1.26 -4.75 118.16 119.65 2x54 n LYS 276 Ca 0.06 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 2x54 n LYS 276 Cb 0.59 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 2x54 n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x54 n GLY 277 N 4.36 -0.57 3.24 0.72 0.00 -0.84 -3.06 105.19 109.04 2x54 n GLY 277 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2x54 n GLY 277 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x54 s GLN 278 N -0.83 1.14 -0.03 1.61 -2.07 -0.92 -1.05 119.66 117.49 2x54 s GLN 278 Ca 0.00 -1.56 0.06 0.00 -1.82 0.00 0.00 55.36 52.04 2x54 s GLN 278 Cb 0.00 -0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 31.74 2x54 s GLN 278 CO 0.00 -0.19 -0.23 1.41 -1.32 0.00 0.00 175.29 174.96 2x54 s MET 279 N -3.97 2.05 0.15 9.60 -2.45 -0.88 -1.12 119.30 122.68 2x54 s MET 279 Ca 0.27 -0.82 0.08 0.00 -1.25 0.00 0.00 55.69 53.96 2x54 s MET 279 Cb 0.07 -1.88 -0.04 0.00 1.25 0.00 0.00 34.83 34.23 2x54 s MET 279 CO 0.06 0.43 -0.06 -1.21 1.05 0.00 0.00 175.02 175.29 2x54 s GLU 280 N -0.36 2.21 -0.33 4.11 2.02 0.49 -4.06 118.70 122.78 2x54 s GLU 280 Ca 0.04 -1.12 -0.10 0.00 0.02 0.00 0.00 54.97 53.82 2x54 s GLU 280 Cb -0.11 -2.29 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2x54 s GLU 280 CO 0.01 0.47 0.16 -0.51 0.02 0.00 0.00 175.26 175.41 2x54 s LEU 281 N -2.64 4.29 -0.30 1.80 1.43 -1.26 -2.02 118.68 119.98 2x54 s LEU 281 Ca 0.25 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 2x54 s LEU 281 Cb -0.10 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2x54 s LEU 281 CO 0.16 -0.26 0.55 -0.63 0.23 0.00 0.00 176.35 176.40 2x54 s ILE 282 N 1.57 5.01 -1.36 -0.59 1.01 0.58 -4.35 121.20 123.07 2x54 s ILE 282 Ca 0.03 0.75 -0.09 0.00 0.00 0.00 0.00 60.65 61.35 2x54 s ILE 282 Cb -0.18 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.44 2x54 s ILE 282 CO 0.06 -0.06 0.56 -3.20 0.00 0.00 0.00 174.94 172.30 2x54 n ASN 283 N 5.70 -4.26 -4.44 3.58 5.15 -1.26 -1.16 115.26 118.56 2x54 n ASN 283 Ca -0.03 -0.41 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 2x54 n ASN 283 Cb 0.49 -3.49 -0.14 0.00 -0.53 0.00 0.00 39.78 36.11 2x54 n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x54 s LEU 284 N -6.60 2.68 -0.10 1.20 1.43 -1.26 -0.14 118.68 115.89 2x54 s LEU 284 Ca 0.41 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2x54 s LEU 284 Cb -0.21 -1.55 -0.24 0.00 0.03 0.00 0.00 46.19 44.21 2x54 s LEU 284 CO 0.50 0.30 0.46 -1.54 0.23 0.00 0.00 176.35 176.30 2x54 n SER 285 N 2.59 1.49 -3.78 2.29 3.41 -0.45 -4.83 113.62 114.33 2x54 n SER 285 Ca -0.17 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.59 2x54 n SER 285 Cb 0.52 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 2x54 n SER 285 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2x54 s LYS 286 N -2.57 0.68 -0.15 4.33 2.20 -1.23 -5.06 119.74 117.94 2x54 s LYS 286 Ca -0.15 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 2x54 s LYS 286 Cb 0.07 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2x54 s LYS 286 CO 0.79 -0.19 0.40 0.00 -0.36 0.00 0.00 175.35 175.99 2x54 s ALA 287 N -1.75 -1.00 -0.16 3.13 0.00 -1.26 -1.29 121.76 119.43 2x54 s ALA 287 Ca -0.11 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2x54 s ALA 287 Cb -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2x54 s ALA 287 CO 0.01 -0.20 -0.12 -1.21 0.00 0.00 0.00 175.76 174.24 2x54 s GLU 288 N 0.46 2.13 0.01 0.00 2.02 -0.38 -4.99 118.70 117.95 2x54 s GLU 288 Ca -0.02 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.41 2x54 s GLU 288 Cb -0.04 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2x54 s GLU 288 CO -0.02 -0.31 -0.24 -0.06 0.02 0.00 0.00 175.26 174.65 2x54 s PHE 289 N 1.48 2.40 -0.23 1.61 0.08 -1.24 -0.29 117.98 121.78 2x54 s PHE 289 Ca 0.03 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2x54 s PHE 289 Cb -0.14 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.91 2x54 s PHE 289 CO -0.10 0.09 -0.05 0.15 -0.10 0.00 0.00 175.22 175.21 2x54 s LYS 290 N -0.99 1.64 -0.21 0.44 -0.14 -1.12 -0.98 119.74 118.37 2x54 s LYS 290 Ca 0.12 -1.00 -0.10 0.00 -1.36 0.00 0.00 55.97 53.63 2x54 s LYS 290 Cb -0.10 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.41 2x54 s LYS 290 CO 0.01 -0.60 0.13 0.42 -0.76 0.00 0.00 175.35 174.56 2x54 s ILE 291 N 1.39 5.35 -0.22 2.17 1.01 0.14 -1.74 121.20 129.30 2x54 s ILE 291 Ca -0.06 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2x54 s ILE 291 Cb -0.19 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 2x54 s ILE 291 CO -0.06 0.42 -0.05 -1.59 0.00 0.00 0.00 174.94 173.65 2x54 s LYS 292 N 0.54 3.28 -0.08 2.79 -2.85 -0.91 -1.08 119.74 121.44 2x54 s LYS 292 Ca 0.08 -0.68 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 2x54 s LYS 292 Cb -0.12 -2.98 0.01 0.00 -2.06 0.00 0.00 37.83 32.68 2x54 s LYS 292 CO -0.00 -0.23 -0.18 0.50 0.10 0.00 0.00 175.35 175.54 2x54 s ARG 293 N 1.45 2.39 0.48 1.78 3.52 -0.97 -3.08 118.95 124.52 2x54 s ARG 293 Ca 0.05 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 54.80 2x54 s ARG 293 Cb -0.14 -1.86 -0.09 0.00 -1.56 0.00 0.00 34.95 31.30 2x54 s ARG 293 CO -0.04 0.10 1.02 0.21 -0.81 0.00 0.00 175.30 175.79 2x54 s LYS 294 N 0.50 3.85 -0.06 5.12 2.20 -1.26 -0.31 119.74 129.78 2x54 s LYS 294 Ca -0.17 1.31 -0.03 0.00 -0.36 0.00 0.00 55.97 56.73 2x54 s LYS 294 Cb -0.17 -2.11 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2x54 s LYS 294 CO 0.06 -0.38 0.10 0.00 -0.36 0.00 0.00 175.35 174.77 2x54 s ALA 295 N -2.04 0.08 0.05 3.13 0.00 0.46 -4.91 121.76 118.53 2x54 s ALA 295 Ca 0.66 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 2x54 s ALA 295 Cb -0.15 -0.71 -0.17 0.00 0.00 0.00 0.00 23.12 22.09 2x54 s ALA 295 CO 0.20 -0.54 1.55 -0.44 0.00 0.00 0.00 175.76 176.53 2x54 h ASP 296 N 8.41 -0.11 -3.52 0.00 5.19 -1.80 -3.37 116.42 121.22 2x54 h ASP 296 Ca -0.12 -0.14 -0.55 0.00 -0.62 0.00 0.00 57.03 55.59 2x54 h ASP 296 Cb 1.12 0.03 -0.33 0.00 0.18 0.00 0.00 39.33 40.33 2x54 h ASP 296 CO 0.15 0.08 -0.83 0.12 -3.12 0.00 0.00 179.24 175.64 2x54 s PHE 297 N -5.50 1.67 0.00 4.55 2.19 -1.26 -4.81 117.98 114.82 2x54 s PHE 297 Ca -0.14 -0.60 0.00 0.00 0.33 0.00 0.00 56.93 56.52 2x54 s PHE 297 Cb 0.04 -1.18 0.00 0.00 -1.31 0.00 0.00 43.02 40.58 2x54 s PHE 297 CO 0.65 -0.27 0.00 0.28 1.83 0.00 0.00 175.22 177.71