#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 5 N 0.00 0.91 3.81 -1.39 0.00 -1.26 -5.10 105.19 102.16 1t60 n GLY 5 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1t60 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t60 s PHE 6 N -1.75 3.43 0.12 1.61 0.40 -1.19 -4.93 117.98 115.66 1t60 s PHE 6 Ca 0.00 1.59 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1t60 s PHE 6 Cb 0.00 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1t60 s PHE 6 CO 0.00 0.01 -0.17 -0.51 0.70 0.00 0.00 175.22 175.26 1t60 s LEU 7 N -2.82 2.37 -0.07 -0.37 1.43 -1.26 0.17 118.68 118.13 1t60 s LEU 7 Ca 0.57 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1t60 s LEU 7 Cb -0.12 -0.70 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1t60 s LEU 7 CO 0.17 -0.06 0.16 0.54 0.23 0.00 0.00 176.35 177.39 1t60 s VAL 8 N -1.75 -0.02 -0.07 -1.59 0.11 0.05 -4.89 120.40 112.23 1t60 s VAL 8 Ca 0.08 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1t60 s VAL 8 Cb -0.07 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1t60 s VAL 8 CO 0.04 0.04 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.95 1t60 s THR 9 N 0.65 4.21 -0.04 5.04 2.01 -1.03 -0.41 115.64 126.07 1t60 s THR 9 Ca -0.05 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 61.69 1t60 s THR 9 Cb -0.06 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1t60 s THR 9 CO -0.03 0.57 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.65 1t60 s ARG 10 N -0.97 2.09 -0.17 4.92 3.52 -0.31 -4.74 118.95 123.29 1t60 s ARG 10 Ca 0.14 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1t60 s ARG 10 Cb -0.11 -1.87 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1t60 s ARG 10 CO 0.03 0.39 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.78 1t60 s HIS 11 N -0.25 2.85 0.18 5.12 3.76 -1.26 -1.24 115.29 124.43 1t60 s HIS 11 Ca 0.01 -1.01 0.12 0.00 -0.15 0.00 0.00 55.06 54.02 1t60 s HIS 11 Cb -0.11 -1.95 0.26 0.00 1.11 0.00 0.00 32.58 31.88 1t60 s HIS 11 CO 0.02 -0.49 1.54 0.66 -0.85 0.00 0.00 174.74 175.62 1t60 h SER 12 N 7.53 0.00 -1.59 1.40 4.64 -1.52 -3.46 113.55 120.56 1t60 h SER 12 Ca -0.36 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.61 1t60 h SER 12 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 1t60 h SER 12 CO 0.59 0.65 -0.38 0.00 -0.87 0.00 0.00 176.83 176.82 1t60 n GLN 13 N -3.59 -1.30 -4.15 4.77 6.02 -1.26 -4.95 117.38 112.92 1t60 n GLN 13 Ca -0.00 0.99 -0.15 0.00 -0.01 0.00 0.00 57.00 57.83 1t60 n GLN 13 Cb 0.68 -5.34 -0.06 0.00 1.02 0.00 0.00 30.24 26.54 1t60 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 14 N -2.75 0.00 -1.70 5.09 -4.23 -1.26 -4.10 115.64 106.69 1t60 s THR 14 Ca 0.00 -1.75 0.31 0.00 -1.18 0.00 0.00 61.69 59.06 1t60 s THR 14 Cb 0.00 -2.53 0.67 0.00 1.34 0.00 0.00 72.50 71.98 1t60 s THR 14 CO 0.00 0.00 2.10 0.35 -0.54 0.00 0.00 174.62 176.53 1t60 n THR 15 N -0.51 0.00 -3.59 3.99 -2.24 -1.26 -2.02 114.28 108.66 1t60 n THR 15 Ca 0.03 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1t60 n THR 15 Cb 0.63 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.36 1t60 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t60 s ASP 16 N -2.32 6.68 0.30 3.42 1.01 -1.26 -4.83 116.67 119.67 1t60 s ASP 16 Ca 0.37 0.82 -0.30 0.00 0.71 0.00 0.00 52.55 54.15 1t60 s ASP 16 Cb 0.21 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.84 1t60 s ASP 16 CO 0.42 0.27 1.53 -1.81 0.21 0.00 0.00 175.17 175.79 1t60 s ASP 17 N -1.37 6.46 0.60 0.27 1.01 -1.26 -4.54 116.67 117.83 1t60 s ASP 17 Ca 0.27 2.88 -0.10 0.00 0.71 0.00 0.00 52.55 56.31 1t60 s ASP 17 Cb -0.15 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 1t60 s ASP 17 CO 0.14 -0.84 0.99 -2.16 0.21 0.00 0.00 175.17 173.51 1t60 s PRO 18 N -0.76 3.56 -0.06 8.23 0.04 -1.26 -5.00 135.00 139.75 1t60 s PRO 18 Ca 0.60 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1t60 s PRO 18 Cb -0.46 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1t60 s PRO 18 CO 0.49 -0.52 0.12 -0.65 0.04 0.00 0.00 177.00 176.47 1t60 s GLN 19 N -5.11 3.28 0.33 4.56 -1.52 -1.26 -4.73 119.66 115.22 1t60 s GLN 19 Ca 0.54 -0.30 -0.29 0.00 -1.95 0.00 0.00 55.36 53.36 1t60 s GLN 19 Cb -0.11 -3.03 -0.10 0.00 -0.22 0.00 0.00 33.01 29.55 1t60 s GLN 19 CO 0.52 0.71 1.30 0.00 -0.25 0.00 0.00 175.29 177.58 1t60 s PRO 21 N -1.73 2.76 0.32 0.00 0.02 -1.26 -4.90 135.00 130.22 1t60 s PRO 21 Ca 0.49 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 63.00 1t60 s PRO 21 Cb -0.39 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.10 1t60 s PRO 21 CO 0.52 -1.36 1.50 -2.30 -0.33 0.00 0.00 177.00 175.03 1t60 n PRO 22 N -1.91 2.54 0.00 5.54 -0.02 -1.26 -1.78 135.00 138.11 1t60 n PRO 22 Ca 0.13 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1t60 n PRO 22 Cb 0.50 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t60 n GLY 23 N 1.40 0.33 3.30 -1.23 0.00 -1.26 -4.98 105.19 102.75 1t60 n GLY 23 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1t60 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 24 N -2.00 1.41 0.02 2.61 -4.23 -0.74 -4.26 115.64 108.46 1t60 s THR 24 Ca 0.00 -2.12 0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1t60 s THR 24 Cb 0.00 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1t60 s THR 24 CO 0.00 -0.65 -0.15 -1.59 -0.54 0.00 0.00 174.62 171.69 1t60 s LYS 25 N -3.71 1.08 0.41 3.99 -2.85 -0.37 -4.73 119.74 113.56 1t60 s LYS 25 Ca 0.20 -0.72 -0.26 0.00 -1.00 0.00 0.00 55.97 54.19 1t60 s LYS 25 Cb 0.01 -1.09 -0.09 0.00 -2.06 0.00 0.00 37.83 34.60 1t60 s LYS 25 CO 0.04 0.28 1.35 -1.50 0.10 0.00 0.00 175.35 175.62 1t60 s ILE 26 N -0.69 2.42 -0.07 3.79 1.10 -1.26 0.13 121.20 126.63 1t60 s ILE 26 Ca 0.04 0.39 -0.01 0.00 -0.51 0.00 0.00 60.65 60.55 1t60 s ILE 26 Cb -0.07 -3.23 -0.04 0.00 0.15 0.00 0.00 42.46 39.27 1t60 s ILE 26 CO 0.01 0.06 -0.07 0.18 -2.11 0.00 0.00 174.94 173.01 1t60 n LEU 27 N 0.13 1.80 -3.57 8.50 4.77 0.08 -4.83 117.00 123.88 1t60 n LEU 27 Ca 0.03 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 1t60 n LEU 27 Cb 0.42 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1t60 n LEU 27 CO 0.58 0.39 0.92 -0.72 -1.33 0.00 0.00 177.39 177.22 1t60 s TYR 28 N -2.13 -0.20 0.32 -1.77 -0.85 -1.23 -5.02 117.35 106.48 1t60 s TYR 28 Ca -0.09 0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.69 1t60 s TYR 28 Cb 0.03 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1t60 s TYR 28 CO 0.14 -0.29 0.15 -1.01 -1.52 0.00 0.00 175.55 173.01 1t60 s HIS 29 N -2.44 2.77 0.00 -3.49 3.76 -1.26 -1.32 115.29 113.30 1t60 s HIS 29 Ca 0.07 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1t60 s HIS 29 Cb -0.01 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1t60 s HIS 29 CO -0.05 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.61 1t60 n GLY 30 N -1.15 1.86 3.64 -2.22 0.00 -0.41 -4.54 105.19 102.37 1t60 n GLY 30 Ca -0.04 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1t60 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 31 N -2.27 2.98 -0.79 1.61 2.02 0.16 -0.67 117.35 120.39 1t60 s TYR 31 Ca 0.00 0.02 -0.26 0.00 -0.37 0.00 0.00 57.07 56.47 1t60 s TYR 31 Cb 0.00 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1t60 s TYR 31 CO 0.00 0.42 1.55 -1.12 -1.57 0.00 0.00 175.55 174.83 1t60 s SER 32 N -1.47 5.88 -0.21 2.29 0.01 -0.53 -1.69 113.70 117.99 1t60 s SER 32 Ca 0.18 -0.52 -0.22 0.00 1.31 0.00 0.00 55.95 56.70 1t60 s SER 32 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 32 CO 0.09 -2.02 0.68 -0.22 0.41 0.00 0.00 173.24 172.18 1t60 s LEU 33 N 6.96 4.13 -0.19 2.44 2.96 0.29 -0.81 118.68 134.46 1t60 s LEU 33 Ca 0.50 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 55.13 1t60 s LEU 33 Cb -0.07 -2.97 -0.13 0.00 0.50 0.00 0.00 46.19 43.52 1t60 s LEU 33 CO 0.09 -0.33 0.03 -0.11 -1.32 0.00 0.00 176.35 174.70 1t60 n LEU 34 N 5.28 1.85 -3.76 -0.68 7.94 0.02 -4.49 117.00 123.15 1t60 n LEU 34 Ca 0.00 0.50 -0.03 0.00 -1.11 0.00 0.00 56.01 55.37 1t60 n LEU 34 Cb 0.49 -0.92 -0.01 0.00 0.53 0.00 0.00 43.42 43.51 1t60 n LEU 34 CO 0.45 -0.00 0.77 -0.72 -1.11 0.00 0.00 177.39 176.78 1t60 s TYR 35 N -2.34 -0.08 0.26 1.96 1.13 -1.10 -1.84 117.35 115.34 1t60 s TYR 35 Ca -0.24 -0.22 0.04 0.00 -1.41 0.00 0.00 57.07 55.24 1t60 s TYR 35 Cb 0.05 0.64 -0.06 0.00 -1.10 0.00 0.00 41.96 41.49 1t60 s TYR 35 CO 0.44 -0.79 0.00 0.14 -2.51 0.00 0.00 175.55 172.83 1t60 s VAL 36 N -3.00 1.19 -0.14 -3.49 -7.23 -0.55 -0.20 120.40 106.98 1t60 s VAL 36 Ca 0.14 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1t60 s VAL 36 Cb -0.01 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1t60 s VAL 36 CO 0.02 -0.24 0.10 -1.58 -0.31 0.00 0.00 175.10 173.09 1t60 s GLN 37 N -3.84 0.04 -0.09 4.82 0.74 -0.30 -1.31 119.66 119.72 1t60 s GLN 37 Ca 0.31 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.84 1t60 s GLN 37 Cb 0.06 -1.38 0.00 0.00 1.10 0.00 0.00 33.01 32.79 1t60 s GLN 37 CO 0.11 -0.57 -0.21 0.20 -0.55 0.00 0.00 175.29 174.27 1t60 s GLY 38 N 2.17 1.20 -1.48 2.59 0.00 -0.50 -1.27 107.32 110.03 1t60 s GLY 38 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.80 1t60 s GLY 38 CO -0.08 -0.24 0.93 -2.01 0.00 0.00 0.00 173.10 171.70 1t60 n ASN 39 N 3.55 -5.16 0.00 1.64 4.05 -1.26 -1.34 115.26 116.74 1t60 n ASN 39 Ca -0.20 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.19 1t60 n ASN 39 Cb 0.53 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.41 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t60 n GLU 40 N -4.58 -0.66 -4.11 1.20 1.02 -1.26 -5.00 120.64 107.26 1t60 n GLU 40 Ca 0.02 0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1t60 n GLU 40 Cb 0.54 -3.80 -0.12 0.00 -0.02 0.00 0.00 31.44 28.04 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t60 s ARG 41 N -0.81 3.71 0.19 3.49 6.06 -0.45 -5.01 118.95 126.14 1t60 s ARG 41 Ca 0.00 -0.48 -0.14 0.00 -2.50 0.00 0.00 55.73 52.61 1t60 s ARG 41 Cb 0.00 -3.10 -0.07 0.00 0.06 0.00 0.00 34.95 31.84 1t60 s ARG 41 CO 0.00 0.10 0.59 0.00 -2.50 0.00 0.00 175.30 173.49 1t60 s ALA 42 N 0.78 3.53 -0.15 6.12 0.00 -1.26 -1.41 121.76 129.37 1t60 s ALA 42 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 1t60 s ALA 42 Cb -0.14 -2.57 0.08 0.00 0.00 0.00 0.00 23.12 20.49 1t60 s ALA 42 CO 0.02 0.44 0.24 -1.58 0.00 0.00 0.00 175.76 174.88 1t60 s HIS 43 N -1.61 -0.36 0.47 0.00 2.46 -0.42 -4.92 115.29 110.90 1t60 s HIS 43 Ca 0.42 0.66 0.08 0.00 0.47 0.00 0.00 55.06 56.70 1t60 s HIS 43 Cb -0.14 -0.17 0.03 0.00 -0.13 0.00 0.00 32.58 32.17 1t60 s HIS 43 CO 0.20 -0.45 0.64 0.20 -2.47 0.00 0.00 174.74 172.86 1t60 s GLY 44 N 2.38 1.89 -0.17 1.59 0.00 -1.26 -1.49 107.32 110.25 1t60 s GLY 44 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1t60 s GLY 44 CO -0.10 -1.52 -0.09 1.20 0.00 0.00 0.00 173.10 172.60 1t60 s GLN 45 N -4.46 1.82 -0.06 2.90 -1.52 -0.76 -4.96 119.66 112.62 1t60 s GLN 45 Ca 0.57 -0.64 -0.36 0.00 -1.95 0.00 0.00 55.36 52.99 1t60 s GLN 45 Cb -0.09 -2.16 -0.14 0.00 -0.22 0.00 0.00 33.01 30.41 1t60 s GLN 45 CO 0.35 -0.39 1.72 -3.47 -0.25 0.00 0.00 175.29 173.25 1t60 n ASP 46 N 4.79 2.93 0.12 5.90 2.03 -1.26 -4.62 116.55 126.43 1t60 n ASP 46 Ca -0.14 1.04 0.08 0.00 0.52 0.00 0.00 54.79 56.28 1t60 n ASP 46 Cb 0.48 -1.31 0.41 0.00 -0.72 0.00 0.00 41.12 39.97 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t60 n LEU 47 N 5.19 0.39 -0.03 -2.67 4.77 -1.26 -1.07 117.00 122.31 1t60 n LEU 47 Ca 0.22 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.97 1t60 n LEU 47 Cb 0.24 -0.68 0.26 0.00 -2.33 0.00 0.00 43.42 40.91 1t60 n LEU 47 CO 0.72 -0.78 0.47 0.61 -1.33 0.00 0.00 177.39 177.07 1t60 n GLY 48 N -1.33 -1.16 3.92 -0.72 0.00 -1.26 -4.47 105.19 100.16 1t60 n GLY 48 Ca -0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1t60 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 49 N -2.93 4.74 0.33 2.61 -4.23 -0.23 -2.48 115.64 113.44 1t60 s THR 49 Ca 0.13 -1.16 0.38 0.00 -1.18 0.00 0.00 61.69 59.86 1t60 s THR 49 Cb 0.18 -3.61 0.41 0.00 1.34 0.00 0.00 72.50 70.81 1t60 s THR 49 CO 0.68 -0.31 2.14 0.00 -0.54 0.00 0.00 174.62 176.60 1t60 h ALA 50 N 1.25 1.00 0.00 3.99 0.00 -1.91 -2.35 119.26 121.24 1t60 h ALA 50 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t60 h ALA 50 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t60 h ALA 50 CO 0.60 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 180.62 1t60 h GLY 51 N 1.02 0.00 -0.74 0.00 0.00 -1.95 -0.84 103.07 100.55 1t60 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 52 N -3.13 1.45 -3.85 0.19 3.41 -0.88 -4.62 113.62 106.20 1t60 n SER 52 Ca -0.02 -1.76 -0.30 0.00 -0.26 0.00 0.00 58.87 56.53 1t60 n SER 52 Cb 0.17 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 0.85 4.38 0.32 0.00 1.43 -0.68 -4.78 118.68 120.19 1t60 s LEU 54 Ca 0.13 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1t60 s LEU 54 Cb -0.21 -2.62 0.54 0.00 0.03 0.00 0.00 46.19 43.93 1t60 s LEU 54 CO -0.11 0.17 1.95 0.03 0.23 0.00 0.00 176.35 178.62 1t60 h ARG 55 N 5.68 0.85 -5.83 1.70 3.08 -1.88 0.45 114.38 118.42 1t60 h ARG 55 Ca -0.46 -0.09 -0.64 0.00 0.07 0.00 0.00 59.98 58.86 1t60 h ARG 55 Cb 1.20 -0.17 -0.31 0.00 0.08 0.00 0.00 29.97 30.77 1t60 h ARG 55 CO 0.68 0.63 -0.87 0.15 -1.07 0.00 0.00 179.97 179.50 1t60 s LYS 56 N -5.56 2.17 0.31 0.04 1.02 -1.26 -4.63 119.74 111.83 1t60 s LYS 56 Ca -0.10 -0.79 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 1t60 s LYS 56 Cb 0.17 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1t60 s LYS 56 CO 0.78 0.36 0.54 0.12 -0.92 0.00 0.00 175.35 176.22 1t60 s PHE 57 N -0.17 3.49 -0.25 3.18 2.19 -1.26 -4.92 117.98 120.24 1t60 s PHE 57 Ca -0.01 0.49 -0.27 0.00 0.33 0.00 0.00 56.93 57.46 1t60 s PHE 57 Cb -0.12 -1.99 0.14 0.00 -1.31 0.00 0.00 43.02 39.74 1t60 s PHE 57 CO 0.02 0.16 1.14 0.45 1.83 0.00 0.00 175.22 178.83 1t60 s SER 58 N -3.55 -0.30 0.58 6.13 0.15 -1.26 -5.00 113.70 110.45 1t60 s SER 58 Ca 0.42 0.49 0.36 0.00 0.70 0.00 0.00 55.95 57.92 1t60 s SER 58 Cb -0.10 0.46 1.63 0.00 -1.71 0.00 0.00 66.02 66.30 1t60 s SER 58 CO 0.33 -0.17 2.08 0.71 1.20 0.00 0.00 173.24 177.39 1t60 h THR 59 N 3.01 0.02 -2.66 6.45 1.35 -1.94 -3.31 112.91 115.83 1t60 h THR 59 Ca -0.23 -0.40 -0.59 0.00 -0.55 0.00 0.00 66.41 64.64 1t60 h THR 59 Cb 1.18 1.39 -0.39 0.00 -1.73 0.00 0.00 68.15 68.59 1t60 h THR 59 CO 0.19 0.01 -0.84 -0.32 -0.25 0.00 0.00 175.52 174.31 1t60 s MET 60 N -3.80 1.03 0.00 4.72 -2.45 -1.26 -4.17 119.30 113.37 1t60 s MET 60 Ca -0.00 -1.94 0.07 0.00 -1.25 0.00 0.00 55.69 52.57 1t60 s MET 60 Cb 0.10 -1.80 0.28 0.00 1.25 0.00 0.00 34.83 34.66 1t60 s MET 60 CO 0.51 -1.26 1.20 -0.35 1.05 0.00 0.00 175.02 176.17 1t60 n PRO 61 N 3.34 1.31 -4.15 4.11 -0.04 -1.25 -4.90 135.00 133.43 1t60 n PRO 61 Ca 0.18 -0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 63.03 1t60 n PRO 61 Cb 0.40 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -1.83 1.03 0.17 0.54 -0.71 -1.26 -5.09 117.98 110.83 1t60 s PHE 62 Ca 0.13 -1.25 -0.04 0.00 -1.04 0.00 0.00 56.93 54.73 1t60 s PHE 62 Cb 0.07 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1t60 s PHE 62 CO 0.09 -0.79 0.16 -0.48 -1.34 0.00 0.00 175.22 172.87 1t60 s LEU 63 N -3.16 1.29 0.12 -1.99 0.05 -1.26 -4.53 118.68 109.20 1t60 s LEU 63 Ca 0.35 -1.18 0.06 0.00 0.05 0.00 0.00 54.13 53.42 1t60 s LEU 63 Cb 0.04 0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 1t60 s LEU 63 CO 0.14 -0.83 -0.15 0.72 -0.55 0.00 0.00 176.35 175.67 1t60 s PHE 64 N -4.07 1.49 0.18 3.48 -0.12 -0.79 -4.99 117.98 113.17 1t60 s PHE 64 Ca 0.27 -0.51 0.05 0.00 -0.05 0.00 0.00 56.93 56.69 1t60 s PHE 64 Cb 0.06 -0.78 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 1t60 s PHE 64 CO 0.05 0.17 -0.09 0.00 -0.05 0.00 0.00 175.22 175.30 1t60 s ASN 66 N -3.23 1.74 0.17 0.00 2.47 -0.79 -5.00 114.94 110.30 1t60 s ASN 66 Ca 0.21 -1.31 0.14 0.00 0.42 0.00 0.00 52.86 52.31 1t60 s ASN 66 Cb 0.03 0.04 0.69 0.00 -1.45 0.00 0.00 41.25 40.56 1t60 s ASN 66 CO 0.04 -0.61 1.42 2.30 -3.72 0.00 0.00 177.10 176.53 1t60 n ILE 67 N -0.50 1.34 1.72 -5.21 -5.35 -1.26 -0.71 119.36 109.40 1t60 n ILE 67 Ca -0.03 0.55 0.09 0.00 -0.27 0.00 0.00 62.75 63.09 1t60 n ILE 67 Cb 0.65 -1.52 0.45 0.00 -1.74 0.00 0.00 39.64 37.49 1t60 n ILE 67 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1t60 n ASN 68 N -1.92 0.58 -3.18 7.28 6.94 -1.26 -4.88 115.26 118.81 1t60 n ASN 68 Ca -0.00 -1.56 -0.22 0.00 -0.02 0.00 0.00 54.58 52.78 1t60 n ASN 68 Cb 0.06 -0.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.50 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1t60 n ASN 69 N -0.38 -5.97 -4.15 0.53 3.02 0.11 -5.01 115.26 103.41 1t60 n ASN 69 Ca 0.14 -0.43 -0.28 0.00 -0.03 0.00 0.00 54.58 53.98 1t60 n ASN 69 Cb 0.15 -4.65 -0.16 0.00 -0.61 0.00 0.00 39.78 34.51 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t60 s VAL 70 N -3.25 1.59 0.03 2.41 1.01 -1.25 -4.98 120.40 115.97 1t60 s VAL 70 Ca 0.47 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1t60 s VAL 70 Cb -0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1t60 s VAL 70 CO 0.58 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.93 1t60 s ASN 72 N -1.33 2.49 -0.15 0.00 0.01 0.61 -4.99 114.94 111.58 1t60 s ASN 72 Ca 0.14 -0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 51.83 1t60 s ASN 72 Cb -0.10 -1.13 -0.01 0.00 0.41 0.00 0.00 41.25 40.42 1t60 s ASN 72 CO 0.04 0.05 -0.11 0.12 -1.51 0.00 0.00 177.10 175.70 1t60 s PHE 73 N 0.78 2.86 -1.36 2.20 5.36 -1.26 -1.88 117.98 124.68 1t60 s PHE 73 Ca -0.11 -0.74 -0.13 0.00 -0.96 0.00 0.00 56.93 55.00 1t60 s PHE 73 Cb -0.16 -1.91 0.11 0.00 -0.34 0.00 0.00 43.02 40.72 1t60 s PHE 73 CO 0.01 -0.30 0.55 0.00 -1.46 0.00 0.00 175.22 174.02 1t60 n ALA 74 N 3.87 -1.13 -1.82 11.12 0.00 -1.26 -4.86 120.51 126.43 1t60 n ALA 74 Ca -0.18 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1t60 n ALA 74 Cb 0.52 -2.80 0.09 0.00 0.00 0.00 0.00 19.45 17.26 1t60 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 75 N -2.35 4.12 0.00 0.00 7.64 -1.26 -4.87 113.62 116.90 1t60 n SER 75 Ca 0.03 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1t60 n SER 75 Cb 0.51 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 76 N -0.86 0.00 -2.72 1.43 0.63 -1.26 -5.08 116.66 108.80 1t60 n ARG 76 Ca 0.38 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.22 1t60 n ARG 76 Cb 0.89 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.84 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 0.83 -4.97 6.15 5.03 -1.26 -4.94 115.26 116.09 1t60 n ASN 77 Ca 0.00 -2.72 -0.21 0.00 0.87 0.00 0.00 54.58 52.52 1t60 n ASN 77 Cb 0.00 -0.27 0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t60 s ASP 78 N -2.74 5.37 0.23 6.41 -0.00 -1.26 -4.89 116.67 119.79 1t60 s ASP 78 Ca 0.27 -0.02 0.05 0.00 -0.00 0.00 0.00 52.55 52.85 1t60 s ASP 78 Cb 0.44 -0.92 -0.05 0.00 -0.00 0.00 0.00 42.92 42.39 1t60 s ASP 78 CO 0.01 -1.06 -0.05 -0.31 -0.00 0.00 0.00 175.17 173.76 1t60 s TYR 79 N -2.70 1.66 -0.05 4.23 1.51 -0.39 -1.73 117.35 119.87 1t60 s TYR 79 Ca 0.56 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1t60 s TYR 79 Cb -0.10 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1t60 s TYR 79 CO 0.38 0.12 0.16 -1.54 -1.11 0.00 0.00 175.55 173.56 1t60 s SER 80 N -3.33 -0.13 -0.05 2.29 1.04 -0.66 -1.15 113.70 111.71 1t60 s SER 80 Ca 0.26 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1t60 s SER 80 Cb 0.04 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 1t60 s SER 80 CO 0.08 -0.12 -0.18 -0.31 0.98 0.00 0.00 173.24 173.70 1t60 s TYR 81 N -0.21 1.76 0.05 5.02 2.02 0.72 -0.53 117.35 126.18 1t60 s TYR 81 Ca -0.03 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1t60 s TYR 81 Cb -0.02 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 1t60 s TYR 81 CO 0.00 -0.18 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.07 1t60 s TRP 82 N 0.07 1.28 0.45 2.71 0.52 -0.84 -0.80 118.94 122.34 1t60 s TRP 82 Ca -0.05 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.44 1t60 s TRP 82 Cb -0.12 -0.75 -0.08 0.00 -1.15 0.00 0.00 33.47 31.38 1t60 s TRP 82 CO 0.03 0.05 1.34 -0.51 0.02 0.00 0.00 176.95 177.87 1t60 s LEU 83 N -1.32 4.09 0.51 2.99 1.43 0.01 -0.95 118.68 125.43 1t60 s LEU 83 Ca 0.01 2.72 0.05 0.00 -1.03 0.00 0.00 54.13 55.88 1t60 s LEU 83 Cb -0.09 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.12 1t60 s LEU 83 CO 0.02 -1.11 0.25 -0.94 0.23 0.00 0.00 176.35 174.80 1t60 s SER 84 N -0.78 4.46 0.58 2.29 1.04 -0.30 -1.50 113.70 119.49 1t60 s SER 84 Ca 0.62 -1.31 0.07 0.00 0.48 0.00 0.00 55.95 55.81 1t60 s SER 84 Cb -0.39 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1t60 s SER 84 CO 0.49 -0.91 0.59 0.42 0.98 0.00 0.00 173.24 174.81 1t60 s THR 85 N -2.76 1.71 -1.23 2.02 -4.23 -0.75 -4.53 115.64 105.88 1t60 s THR 85 Ca 0.28 -1.29 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1t60 s THR 85 Cb 0.00 -2.00 0.27 0.00 1.34 0.00 0.00 72.50 72.11 1t60 s THR 85 CO 0.17 0.00 1.65 -2.65 -0.54 0.00 0.00 174.62 173.24 1t60 n PRO 86 N -2.02 0.15 -1.67 3.99 -0.02 -1.26 -4.86 135.00 129.32 1t60 n PRO 86 Ca 0.06 0.12 -0.62 0.00 -2.02 0.00 0.00 63.50 61.03 1t60 n PRO 86 Cb 0.63 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.53 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t60 n GLU 87 N -1.39 0.34 -2.04 -0.52 4.07 -1.26 -4.87 120.64 114.97 1t60 n GLU 87 Ca 0.07 0.12 -0.33 0.00 -0.06 0.00 0.00 57.16 56.97 1t60 n GLU 87 Cb 0.20 -1.67 0.01 0.00 -0.06 0.00 0.00 31.44 29.92 1t60 n GLU 87 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1t60 s PRO 88 N 2.23 3.23 0.52 5.31 0.04 -1.26 -5.00 135.00 140.06 1t60 s PRO 88 Ca 0.99 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 63.13 1t60 s PRO 88 Cb -1.31 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1t60 s PRO 88 CO 0.70 -0.89 1.21 1.41 0.04 0.00 0.00 177.00 179.46 1t60 s MET 89 N -3.91 3.42 0.56 4.56 1.75 -1.26 -4.96 119.30 119.47 1t60 s MET 89 Ca 0.66 1.85 -0.21 0.00 -1.25 0.00 0.00 55.69 56.75 1t60 s MET 89 Cb -0.18 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.22 1t60 s MET 89 CO 0.35 -0.85 1.23 -2.30 -0.65 0.00 0.00 175.02 172.80 1t60 n PRO 90 N -0.93 1.39 -0.27 4.11 -0.02 -1.26 -4.88 135.00 133.14 1t60 n PRO 90 Ca 0.10 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.17 1t60 n PRO 90 Cb 0.48 -2.43 0.30 0.00 -0.02 0.00 0.00 33.50 31.83 1t60 n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t60 h MET 91 N 1.08 0.85 0.00 -0.52 4.05 -1.97 0.25 114.93 118.66 1t60 h MET 91 Ca -0.50 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.84 1t60 h MET 91 Cb 1.33 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1t60 h MET 91 CO 0.55 0.56 -0.15 0.66 0.23 0.00 0.00 176.91 178.76 1t60 h SER 92 N 0.87 0.00 -0.66 1.39 4.64 -2.03 -3.46 113.55 114.30 1t60 h SER 92 Ca 0.40 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.43 1t60 h SER 92 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.35 1t60 h SER 92 CO -0.16 0.15 -0.26 0.23 -0.87 0.00 0.00 176.83 175.92 1t60 n MET 93 N -3.46 -1.05 -3.46 4.77 0.00 0.07 -5.00 117.12 109.00 1t60 n MET 93 Ca -0.01 0.98 -0.23 0.00 0.00 0.00 0.00 57.70 58.44 1t60 n MET 93 Cb 0.32 -5.10 -0.01 0.00 0.00 0.00 0.00 33.22 28.43 1t60 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t60 s ALA 94 N -2.47 3.78 0.36 3.04 0.00 -1.26 -5.00 121.76 120.21 1t60 s ALA 94 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 1t60 s ALA 94 Cb 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.99 1t60 s ALA 94 CO 0.00 -0.01 1.07 -2.30 0.00 0.00 0.00 175.76 174.52 1t60 n PRO 95 N -1.73 1.53 -3.56 0.00 -0.02 -1.26 -4.85 135.00 125.11 1t60 n PRO 95 Ca -0.05 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 1t60 n PRO 95 Cb 0.57 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1t60 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t60 s ILE 96 N -1.16 5.07 0.14 4.25 1.09 0.17 -4.86 121.20 125.90 1t60 s ILE 96 Ca 0.60 0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 60.56 1t60 s ILE 96 Cb -0.61 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 1t60 s ILE 96 CO 0.59 0.21 0.04 0.42 -0.10 0.00 0.00 174.94 176.10 1t60 s THR 97 N -1.48 0.25 0.00 2.92 -4.23 -1.26 -1.12 115.64 110.72 1t60 s THR 97 Ca 0.36 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1t60 s THR 97 Cb -0.13 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1t60 s THR 97 CO 0.19 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1t60 n GLY 98 N -0.12 1.24 0.34 3.99 0.00 -1.26 -2.09 105.19 107.29 1t60 n GLY 98 Ca -0.06 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.59 1t60 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.39 -1.99 0.31 114.58 118.89 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 99 CO 0.00 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.94 1t60 h ASN 100 N 0.00 0.00 -0.04 1.42 2.35 -1.83 -2.55 115.58 114.93 1t60 h ASN 100 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 1t60 h ASN 100 Cb 0.50 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1t60 h ASN 100 CO 0.00 0.00 -0.76 0.40 -1.65 0.00 0.00 177.43 175.42 1t60 h ILE 101 N 0.00 1.30 -1.00 2.81 2.04 -1.00 -3.36 117.51 118.31 1t60 h ILE 101 Ca 0.00 -2.01 0.26 0.00 1.00 0.00 0.00 64.86 64.11 1t60 h ILE 101 Cb 0.21 2.00 -0.19 0.00 -0.74 0.00 0.00 36.82 38.10 1t60 h ILE 101 CO 0.00 0.63 -0.03 -0.09 0.00 0.00 0.00 178.15 178.65 1t60 h ARG 102 N 0.47 0.00 0.00 2.37 9.65 -1.62 0.13 114.38 125.39 1t60 h ARG 102 Ca -0.04 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1t60 h ARG 102 Cb 1.37 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 1t60 h ARG 102 CO 0.15 0.00 0.00 -1.35 2.80 0.00 0.00 179.97 181.57 1t60 h PRO 103 N 0.00 0.00 0.00 0.20 0.11 -1.77 -2.90 132.00 127.64 1t60 h PRO 103 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1t60 h PRO 103 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1t60 h PRO 103 CO -0.95 0.00 -0.87 1.19 -0.21 0.00 0.00 178.00 177.15 1t60 n PHE 104 N -2.57 0.10 -3.40 0.65 3.01 0.46 -4.60 117.46 111.12 1t60 n PHE 104 Ca -0.02 0.03 -0.38 0.00 1.01 0.00 0.00 57.45 58.10 1t60 n PHE 104 Cb 0.08 -0.26 -0.07 0.00 -0.01 0.00 0.00 39.48 39.22 1t60 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t60 s ILE 105 N -3.09 5.21 0.56 4.37 -1.09 -1.10 -1.81 121.20 124.26 1t60 s ILE 105 Ca 0.07 0.71 -0.19 0.00 -2.23 0.00 0.00 60.65 59.01 1t60 s ILE 105 Cb 0.16 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1t60 s ILE 105 CO 0.79 0.27 1.15 -0.55 -1.23 0.00 0.00 174.94 175.37 1t60 s SER 106 N 0.98 5.56 0.27 3.58 0.15 -0.56 -4.43 113.70 119.24 1t60 s SER 106 Ca 0.19 2.23 0.07 0.00 0.70 0.00 0.00 55.95 59.13 1t60 s SER 106 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1t60 s SER 106 CO 0.08 -1.33 0.25 -0.13 1.20 0.00 0.00 173.24 173.31 1t60 s ARG 107 N -3.33 3.00 0.15 5.44 1.81 -0.85 -1.45 118.95 123.72 1t60 s ARG 107 Ca 0.74 -1.03 -0.04 0.00 -1.72 0.00 0.00 55.73 53.67 1t60 s ARG 107 Cb -0.25 -2.62 -0.03 0.00 -0.45 0.00 0.00 34.95 31.59 1t60 s ARG 107 CO 0.29 0.34 0.15 0.00 -0.68 0.00 0.00 175.30 175.40 1t60 s ALA 109 N -4.03 0.30 -0.28 0.00 0.00 -0.38 -1.29 121.76 116.09 1t60 s ALA 109 Ca 0.23 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 1t60 s ALA 109 Cb 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1t60 s ALA 109 CO 0.02 -0.02 0.16 0.08 0.00 0.00 0.00 175.76 176.01 1t60 s VAL 110 N 0.59 5.01 -0.04 0.00 1.01 -0.44 -1.16 120.40 125.38 1t60 s VAL 110 Ca -0.06 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1t60 s VAL 110 Cb -0.09 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1t60 s VAL 110 CO -0.01 0.25 -0.21 0.00 0.00 0.00 0.00 175.10 175.14 1t60 s GLU 112 N -0.61 4.30 0.21 0.00 2.12 0.12 -0.77 118.70 124.07 1t60 s GLU 112 Ca 0.09 0.69 0.11 0.00 0.36 0.00 0.00 54.97 56.22 1t60 s GLU 112 Cb -0.11 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1t60 s GLU 112 CO 0.00 0.35 -0.21 0.00 -0.54 0.00 0.00 175.26 174.86 1t60 s ALA 113 N -0.12 2.63 0.02 6.30 0.00 0.13 -1.24 121.76 129.48 1t60 s ALA 113 Ca 0.30 -1.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.34 1t60 s ALA 113 Cb -0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 23.12 22.40 1t60 s ALA 113 CO 0.16 0.40 1.31 -1.35 0.00 0.00 0.00 175.76 176.29 1t60 h PRO 114 N 2.96 -0.34 0.00 0.00 0.11 -1.85 -3.15 132.00 129.72 1t60 h PRO 114 Ca -0.45 0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.21 1t60 h PRO 114 Cb 1.22 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 114 CO 0.51 -0.04 -0.36 0.00 -0.21 0.00 0.00 178.00 177.91 1t60 n ALA 115 N -2.42 0.36 -1.53 -0.75 0.00 -1.26 -4.57 120.51 110.33 1t60 n ALA 115 Ca -0.09 -1.66 -0.39 0.00 0.00 0.00 0.00 53.44 51.30 1t60 n ALA 115 Cb 0.24 0.97 0.03 0.00 0.00 0.00 0.00 19.45 20.70 1t60 n ALA 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t60 n MET 116 N -0.87 0.79 -4.77 0.00 2.81 -1.26 -4.56 117.12 109.26 1t60 n MET 116 Ca -0.12 0.30 -0.25 0.00 -1.81 0.00 0.00 57.70 55.82 1t60 n MET 116 Cb 0.47 -1.87 -0.16 0.00 -0.71 0.00 0.00 33.22 30.95 1t60 n MET 116 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1t60 s VAL 117 N -1.55 1.30 0.29 2.03 1.01 -1.26 -0.44 120.40 121.80 1t60 s VAL 117 Ca 0.69 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1t60 s VAL 117 Cb -0.48 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1t60 s VAL 117 CO 0.53 0.37 0.39 0.00 0.00 0.00 0.00 175.10 176.39 1t60 s MET 118 N -0.15 1.68 0.10 2.72 0.23 0.68 -4.78 119.30 119.79 1t60 s MET 118 Ca 0.01 -1.65 0.09 0.00 -1.03 0.00 0.00 55.69 53.11 1t60 s MET 118 Cb -0.09 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1t60 s MET 118 CO 0.01 -0.67 -0.23 0.00 -2.03 0.00 0.00 175.02 172.09 1t60 s ALA 119 N -3.51 2.04 0.03 3.16 0.00 -0.61 0.32 121.76 123.18 1t60 s ALA 119 Ca 0.32 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1t60 s ALA 119 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1t60 s ALA 119 CO 0.17 0.44 -0.12 0.14 0.00 0.00 0.00 175.76 176.39 1t60 s VAL 120 N -1.06 0.96 -0.02 0.00 -7.23 -0.57 -4.50 120.40 107.97 1t60 s VAL 120 Ca 0.10 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1t60 s VAL 120 Cb -0.10 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 1t60 s VAL 120 CO 0.04 -0.02 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.58 1t60 s HIS 121 N -0.81 2.10 -0.08 2.82 3.76 -1.26 -1.51 115.29 120.31 1t60 s HIS 121 Ca 0.00 -0.40 0.15 0.00 -0.15 0.00 0.00 55.06 54.66 1t60 s HIS 121 Cb -0.07 -1.35 -0.15 0.00 1.11 0.00 0.00 32.58 32.11 1t60 s HIS 121 CO 0.01 -0.04 0.86 0.66 -0.85 0.00 0.00 174.74 175.38 1t60 h SER 122 N 5.57 0.00 -1.81 1.40 4.64 -1.43 -3.48 113.55 118.44 1t60 h SER 122 Ca -0.41 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.58 1t60 h SER 122 Cb 1.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1t60 h SER 122 CO 0.47 0.74 -0.38 0.00 -0.87 0.00 0.00 176.83 176.79 1t60 n GLN 123 N -3.00 -1.24 -4.14 4.77 6.02 -1.26 -4.94 117.38 113.58 1t60 n GLN 123 Ca -0.10 0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 57.63 1t60 n GLN 123 Cb 0.91 -5.22 -0.06 0.00 1.02 0.00 0.00 30.24 26.89 1t60 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 124 N -2.74 0.00 -2.10 5.09 -4.23 -1.26 -0.46 115.64 109.94 1t60 s THR 124 Ca 0.00 -1.72 0.25 0.00 -1.18 0.00 0.00 61.69 59.04 1t60 s THR 124 Cb 0.00 -2.54 0.65 0.00 1.34 0.00 0.00 72.50 71.95 1t60 s THR 124 CO 0.00 0.00 1.87 2.30 -0.54 0.00 0.00 174.62 178.25 1t60 n ILE 125 N -0.51 0.03 -3.54 2.99 -5.35 -1.26 -2.11 119.36 109.61 1t60 n ILE 125 Ca 0.02 -0.08 -0.30 0.00 -0.27 0.00 0.00 62.75 62.12 1t60 n ILE 125 Cb 0.62 -0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.31 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t60 s GLN 126 N -1.97 3.64 -0.09 6.28 -0.21 -1.26 -4.84 119.66 121.20 1t60 s GLN 126 Ca 0.37 -0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.40 1t60 s GLN 126 Cb 0.18 -2.76 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 1t60 s GLN 126 CO 0.29 0.36 1.09 0.42 -2.12 0.00 0.00 175.29 175.33 1t60 s ILE 127 N -1.84 4.56 0.35 1.08 -1.09 -1.26 -4.42 121.20 118.58 1t60 s ILE 127 Ca 0.42 1.85 -0.26 0.00 -2.23 0.00 0.00 60.65 60.43 1t60 s ILE 127 Cb -0.11 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1t60 s ILE 127 CO 0.26 -0.01 1.08 -2.16 -1.23 0.00 0.00 174.94 172.88 1t60 s PRO 128 N 2.19 4.35 0.38 2.79 0.04 -1.26 -5.01 135.00 138.48 1t60 s PRO 128 Ca 0.51 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 1t60 s PRO 128 Cb -0.21 -2.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1t60 s PRO 128 CO 0.19 -0.01 1.01 -0.65 0.04 0.00 0.00 177.00 177.58 1t60 s GLN 129 N -2.04 4.30 0.67 4.56 -0.21 -1.26 -4.56 119.66 121.11 1t60 s GLN 129 Ca 0.52 1.43 -0.16 0.00 0.02 0.00 0.00 55.36 57.17 1t60 s GLN 129 Cb -0.27 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.15 1t60 s GLN 129 CO 0.34 -0.00 1.19 0.00 -2.12 0.00 0.00 175.29 174.70 1t60 n PRO 131 N -2.25 0.36 -1.67 0.00 -0.02 -1.26 -4.84 135.00 125.32 1t60 n PRO 131 Ca 0.13 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1t60 n PRO 131 Cb 0.50 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1t60 n PRO 131 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1t60 n THR 132 N -3.04 0.65 -0.06 3.45 -1.04 -1.26 -1.59 114.28 111.39 1t60 n THR 132 Ca 0.14 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1t60 n THR 132 Cb 0.50 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 4.46 0.92 3.25 3.41 0.00 -1.26 -5.07 105.19 110.90 1t60 n GLY 133 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1t60 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 134 N -2.01 1.89 0.13 1.61 0.52 -0.62 -1.49 118.94 118.96 1t60 s TRP 134 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1t60 s TRP 134 Cb 0.00 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1t60 s TRP 134 CO 0.00 0.05 0.24 -1.12 0.02 0.00 0.00 176.95 176.14 1t60 s SER 135 N -0.92 6.19 0.17 2.95 0.01 0.10 -4.70 113.70 117.51 1t60 s SER 135 Ca 0.08 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.20 1t60 s SER 135 Cb -0.09 -1.84 -0.08 0.00 0.21 0.00 0.00 66.02 64.23 1t60 s SER 135 CO 0.01 0.08 0.89 -0.55 0.41 0.00 0.00 173.24 174.08 1t60 s SER 136 N -3.04 7.51 -0.15 2.44 0.15 -1.26 0.01 113.70 119.36 1t60 s SER 136 Ca 0.34 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1t60 s SER 136 Cb -0.11 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.54 1t60 s SER 136 CO 0.27 0.11 -0.14 0.18 1.20 0.00 0.00 173.24 174.87 1t60 n LEU 137 N 1.93 2.84 -3.61 3.45 4.77 0.89 -4.88 117.00 122.39 1t60 n LEU 137 Ca -0.02 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 1t60 n LEU 137 Cb 0.48 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1t60 n LEU 137 CO 0.49 0.72 0.96 -1.66 -1.33 0.00 0.00 177.39 176.56 1t60 s TRP 138 N -2.29 -0.12 0.35 -1.77 -2.14 -1.18 -4.86 118.94 106.93 1t60 s TRP 138 Ca -0.20 0.02 0.09 0.00 2.66 0.00 0.00 56.10 58.67 1t60 s TRP 138 Cb 0.05 0.54 -0.06 0.00 -3.10 0.00 0.00 33.47 30.91 1t60 s TRP 138 CO 0.34 -0.34 -0.01 0.96 -2.66 0.00 0.00 176.95 175.23 1t60 s ILE 139 N -2.60 2.48 0.00 0.66 -4.36 -1.26 -0.08 121.20 116.03 1t60 s ILE 139 Ca 0.11 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1t60 s ILE 139 Cb 0.01 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.95 1t60 s ILE 139 CO -0.04 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.56 1t60 n GLY 140 N -0.92 1.35 3.43 6.27 0.00 0.12 -4.40 105.19 111.05 1t60 n GLY 140 Ca -0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -1.64 2.55 -0.75 1.61 1.51 0.14 -1.33 117.35 119.43 1t60 s TYR 141 Ca 0.00 -0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 55.54 1t60 s TYR 141 Cb 0.00 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1t60 s TYR 141 CO 0.00 0.18 1.86 -1.12 -1.11 0.00 0.00 175.55 175.37 1t60 s SER 142 N -1.11 5.28 -0.29 2.29 0.01 -0.43 -1.80 113.70 117.66 1t60 s SER 142 Ca 0.13 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1t60 s SER 142 Cb -0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 142 CO 0.03 -2.49 0.22 0.12 0.41 0.00 0.00 173.24 171.53 1t60 s PHE 143 N 9.27 3.22 -0.11 2.43 5.36 0.13 -1.37 117.98 136.92 1t60 s PHE 143 Ca 0.67 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.78 1t60 s PHE 143 Cb -0.09 -2.42 -0.08 0.00 -0.34 0.00 0.00 43.02 40.09 1t60 s PHE 143 CO 0.10 -0.19 -0.08 1.55 -1.46 0.00 0.00 175.22 175.14 1t60 n VAL 144 N 5.08 0.62 -3.82 3.12 3.14 -0.50 -4.24 118.33 121.74 1t60 n VAL 144 Ca -0.13 -0.25 -0.09 0.00 -2.96 0.00 0.00 64.34 60.91 1t60 n VAL 144 Cb 0.52 -0.87 0.02 0.00 -1.06 0.00 0.00 33.84 32.44 1t60 n VAL 144 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1t60 s MET 145 N -2.22 2.18 0.14 1.45 0.23 -1.14 0.03 119.30 119.97 1t60 s MET 145 Ca -0.14 -1.38 -0.24 0.00 -1.03 0.00 0.00 55.69 52.90 1t60 s MET 145 Cb 0.04 0.62 0.07 0.00 -1.53 0.00 0.00 34.83 34.03 1t60 s MET 145 CO 0.26 -1.02 0.61 -3.38 -2.03 0.00 0.00 175.02 169.46 1t60 s HIS 146 N -2.53 -0.55 0.04 3.16 -3.43 -0.46 -0.36 115.29 111.16 1t60 s HIS 146 Ca 0.15 0.40 -0.08 0.00 -0.80 0.00 0.00 55.06 54.73 1t60 s HIS 146 Cb -0.05 0.55 -0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1t60 s HIS 146 CO 0.11 -0.83 0.16 0.95 -2.00 0.00 0.00 174.74 173.13 1t60 s THR 147 N -3.53 0.12 0.00 -5.38 -4.23 -0.77 -2.68 115.64 99.17 1t60 s THR 147 Ca -0.00 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1t60 s THR 147 Cb -0.01 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1t60 s THR 147 CO -0.11 -0.55 0.00 -0.24 -0.54 0.00 0.00 174.62 173.18 1t60 n SER 148 N 0.63 0.00 -4.64 3.99 2.88 -0.17 -0.75 113.62 115.57 1t60 n SER 148 Ca -0.18 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.88 1t60 n SER 148 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 0.38 -1.02 -1.46 0.00 -1.26 -0.46 120.51 113.68 1t60 n ALA 149 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1t60 n ALA 149 Cb 0.00 -2.21 -0.00 0.00 0.00 0.00 0.00 19.45 17.24 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 2.62 0.17 2.46 0.00 0.00 -1.26 -1.81 105.19 107.37 1t60 n GLY 150 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.01 -0.28 -2.02 4.61 0.00 0.39 -4.99 120.51 119.24 1t60 n ALA 151 Ca -0.01 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.40 1t60 n ALA 151 Cb 0.39 -1.74 0.03 0.00 0.00 0.00 0.00 19.45 18.13 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -3.54 3.08 0.00 0.00 0.41 -0.75 -4.68 118.70 113.22 1t60 s GLU 152 Ca 0.00 0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 1t60 s GLU 152 Cb 0.00 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1t60 s GLU 152 CO 0.00 -0.72 0.00 0.41 -0.49 0.00 0.00 175.26 174.46 1t60 n GLY 153 N -2.70 -0.63 0.59 -1.39 0.00 -1.26 -1.00 105.19 98.80 1t60 n GLY 153 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 1t60 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 154 N 0.32 -0.36 -1.47 1.61 3.41 -1.09 -4.71 113.62 111.33 1t60 n SER 154 Ca 0.00 -1.25 -0.03 0.00 -0.26 0.00 0.00 58.87 57.33 1t60 n SER 154 Cb 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1t60 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t60 n GLY 155 N -0.08 2.04 3.56 5.00 0.00 -1.26 -1.36 105.19 113.09 1t60 n GLY 155 Ca -0.01 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1t60 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t60 s GLN 156 N -2.07 2.07 0.08 1.61 -1.52 0.10 -4.74 119.66 115.19 1t60 s GLN 156 Ca 0.05 -1.10 -0.30 0.00 -1.95 0.00 0.00 55.36 52.06 1t60 s GLN 156 Cb -0.01 -2.25 -0.05 0.00 -0.22 0.00 0.00 33.01 30.48 1t60 s GLN 156 CO 0.04 0.49 1.04 0.00 -0.25 0.00 0.00 175.29 176.61 1t60 s ALA 157 N -1.32 3.27 -1.05 6.09 0.00 -1.26 -4.87 121.76 122.63 1t60 s ALA 157 Ca 0.22 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.93 1t60 s ALA 157 Cb -0.10 -3.35 0.35 0.00 0.00 0.00 0.00 23.12 20.02 1t60 s ALA 157 CO 0.14 -0.21 1.24 1.28 0.00 0.00 0.00 175.76 178.21 1t60 n LEU 158 N 3.27 0.00 -0.70 0.00 4.77 -1.26 -1.02 117.00 122.06 1t60 n LEU 158 Ca 0.05 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1t60 n LEU 158 Cb 0.49 -0.47 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1t60 n LEU 158 CO 0.53 -0.35 0.54 0.00 -1.33 0.00 0.00 177.39 176.78 1t60 n ALA 159 N -1.47 2.44 -2.36 -1.18 0.00 -1.26 -4.64 120.51 112.03 1t60 n ALA 159 Ca 0.02 -0.73 -0.35 0.00 0.00 0.00 0.00 53.44 52.38 1t60 n ALA 159 Cb 0.09 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -1.29 6.82 0.65 0.00 0.15 -0.19 -1.57 113.70 118.27 1t60 s SER 160 Ca 0.21 1.08 0.39 0.00 0.70 0.00 0.00 55.95 58.33 1t60 s SER 160 Cb 0.14 -2.29 2.17 0.00 -1.71 0.00 0.00 66.02 64.33 1t60 s SER 160 CO 0.21 0.10 2.29 -0.65 1.20 0.00 0.00 173.24 176.38 1t60 h PRO 161 N 3.55 0.00 0.00 5.44 0.11 -1.85 -1.33 132.00 137.92 1t60 h PRO 161 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t60 h PRO 161 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t60 h PRO 161 CO 0.66 0.00 -0.02 0.78 -0.21 0.00 0.00 178.00 179.21 1t60 h GLY 162 N 0.00 0.00 -0.80 -0.55 0.00 -1.86 -1.51 103.07 98.35 1t60 h GLY 162 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1t60 h GLY 162 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.16 1.38 -3.78 0.19 3.41 -0.50 -4.53 113.62 106.62 1t60 n SER 163 Ca -0.01 -1.87 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 1t60 n SER 163 Cb 0.20 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1t60 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 165 N -0.08 4.41 0.38 0.00 1.43 -0.75 -4.73 118.68 119.35 1t60 s LEU 165 Ca 0.19 1.50 0.14 0.00 -1.03 0.00 0.00 54.13 54.93 1t60 s LEU 165 Cb -0.20 -3.34 0.76 0.00 0.03 0.00 0.00 46.19 43.44 1t60 s LEU 165 CO -0.03 -0.09 1.84 -0.33 0.23 0.00 0.00 176.35 177.96 1t60 h GLU 166 N 6.16 0.00 -4.78 1.70 5.08 -1.88 0.40 114.58 121.26 1t60 h GLU 166 Ca -0.42 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.34 1t60 h GLU 166 Cb 1.21 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 1t60 h GLU 166 CO 0.73 0.35 -0.84 -1.21 -1.00 0.00 0.00 179.01 177.04 1t60 s GLU 167 N -4.19 2.33 0.21 2.33 2.02 -1.26 -4.69 118.70 115.46 1t60 s GLU 167 Ca -0.03 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 1t60 s GLU 167 Cb 0.14 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.28 1t60 s GLU 167 CO 0.72 -0.10 1.15 0.12 0.02 0.00 0.00 175.26 177.16 1t60 s PHE 168 N 1.10 3.51 -0.06 1.61 2.19 -1.26 -4.97 117.98 120.08 1t60 s PHE 168 Ca -0.04 1.54 -0.04 0.00 0.33 0.00 0.00 56.93 58.73 1t60 s PHE 168 Cb -0.14 -3.35 0.03 0.00 -1.31 0.00 0.00 43.02 38.24 1t60 s PHE 168 CO -0.04 -0.87 0.15 1.03 1.83 0.00 0.00 175.22 177.31 1t60 s ARG 169 N -0.58 0.13 0.31 10.12 1.81 -1.26 -5.02 118.95 124.45 1t60 s ARG 169 Ca 0.50 0.31 0.08 0.00 -1.72 0.00 0.00 55.73 54.90 1t60 s ARG 169 Cb -0.32 -0.07 0.49 0.00 -0.45 0.00 0.00 34.95 34.60 1t60 s ARG 169 CO 0.37 -0.11 1.71 0.66 -0.68 0.00 0.00 175.30 177.26 1t60 h SER 170 N 6.73 0.16 -3.08 0.23 4.64 -1.99 -3.31 113.55 116.92 1t60 h SER 170 Ca -0.36 -0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.28 1t60 h SER 170 Cb 1.16 -0.04 -0.41 0.00 -0.31 0.00 0.00 62.40 62.80 1t60 h SER 170 CO 0.42 0.58 -0.66 0.00 -0.87 0.00 0.00 176.83 176.30 1t60 s ALA 171 N -4.06 3.27 -1.74 5.18 0.00 -1.26 -4.43 121.76 118.72 1t60 s ALA 171 Ca -0.04 -3.49 0.31 0.00 0.00 0.00 0.00 51.96 48.74 1t60 s ALA 171 Cb 0.13 -2.05 1.63 0.00 0.00 0.00 0.00 23.12 22.83 1t60 s ALA 171 CO 0.76 -2.07 2.09 -0.35 0.00 0.00 0.00 175.76 176.19 1t60 n PRO 172 N 2.28 0.75 -4.01 0.00 -0.04 -1.25 -4.87 135.00 127.87 1t60 n PRO 172 Ca 0.20 -0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1t60 n PRO 172 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1t60 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 173 N -2.30 0.35 0.13 0.54 -0.71 -1.26 -1.15 117.98 113.58 1t60 s PHE 173 Ca 0.37 -0.77 0.10 0.00 -1.04 0.00 0.00 56.93 55.60 1t60 s PHE 173 Cb 0.21 -0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1t60 s PHE 173 CO 0.42 -0.35 -0.26 -1.50 -1.34 0.00 0.00 175.22 172.20 1t60 s ILE 174 N -3.03 2.16 -0.19 -4.49 2.07 -0.12 -4.81 121.20 112.79 1t60 s ILE 174 Ca -0.01 -1.74 -0.09 0.00 -1.41 0.00 0.00 60.65 57.40 1t60 s ILE 174 Cb 0.01 -1.93 -0.05 0.00 0.13 0.00 0.00 42.46 40.63 1t60 s ILE 174 CO -0.07 0.05 0.11 -0.70 -1.91 0.00 0.00 174.94 172.42 1t60 s GLU 175 N -2.08 4.07 0.18 3.50 2.12 -0.93 -1.98 118.70 123.58 1t60 s GLU 175 Ca 0.13 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.30 1t60 s GLU 175 Cb -0.10 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1t60 s GLU 175 CO 0.06 0.34 -0.17 0.00 -0.54 0.00 0.00 175.26 174.95 1t60 s HIS 177 N -2.30 1.81 0.62 0.00 0.09 0.78 -1.65 115.29 114.65 1t60 s HIS 177 Ca 0.18 -0.69 0.34 0.00 -0.00 0.00 0.00 55.06 54.89 1t60 s HIS 177 Cb -0.04 -0.98 1.93 0.00 -0.00 0.00 0.00 32.58 33.49 1t60 s HIS 177 CO 0.07 0.26 2.20 0.78 -0.00 0.00 0.00 174.74 178.06 1t60 h GLY 178 N 2.40 0.00 1.04 -2.22 0.00 -1.52 -1.14 103.07 101.63 1t60 h GLY 178 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t60 h GLY 178 CO 0.65 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.23 1t60 n ARG 179 N -3.50 0.94 -0.17 4.80 1.85 -1.26 -4.83 116.66 114.49 1t60 n ARG 179 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1t60 n ARG 179 Cb 0.19 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1t60 n ARG 179 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t60 n GLY 180 N 0.98 0.71 3.90 2.89 0.00 -0.43 -5.08 105.19 108.14 1t60 n GLY 180 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1t60 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 181 N -2.22 5.12 0.03 2.61 -4.23 -1.25 -4.15 115.64 111.55 1t60 s THR 181 Ca 0.00 -0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1t60 s THR 181 Cb 0.00 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 1t60 s THR 181 CO 0.00 -0.02 -0.02 0.00 -0.54 0.00 0.00 174.62 174.05 1t60 s ASN 183 N -1.99 -0.05 0.14 0.00 2.47 0.31 0.46 114.94 116.28 1t60 s ASN 183 Ca -0.07 -0.05 -0.06 0.00 0.42 0.00 0.00 52.86 53.10 1t60 s ASN 183 Cb -0.03 0.08 -0.06 0.00 -1.45 0.00 0.00 41.25 39.79 1t60 s ASN 183 CO -0.04 -0.15 0.38 -0.31 -3.72 0.00 0.00 177.10 173.27 1t60 s TYR 184 N -2.23 3.48 0.10 0.43 1.51 -1.26 -2.18 117.35 117.20 1t60 s TYR 184 Ca 0.13 0.60 0.06 0.00 -1.01 0.00 0.00 57.07 56.85 1t60 s TYR 184 Cb 0.03 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1t60 s TYR 184 CO -0.05 0.44 -0.15 0.71 -1.11 0.00 0.00 175.55 175.39 1t60 s TYR 185 N -1.63 1.37 0.55 2.71 1.51 -1.26 -5.03 117.35 115.57 1t60 s TYR 185 Ca 0.40 -0.49 0.23 0.00 -1.01 0.00 0.00 57.07 56.20 1t60 s TYR 185 Cb -0.12 -0.74 1.49 0.00 -0.11 0.00 0.00 41.96 42.47 1t60 s TYR 185 CO 0.24 0.11 2.13 0.00 -1.11 0.00 0.00 175.55 176.92 1t60 h ALA 186 N 3.95 1.95 -0.47 3.71 0.00 -2.03 -2.25 119.26 124.12 1t60 h ALA 186 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1t60 h ALA 186 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 186 CO 0.44 -0.18 0.00 0.27 0.00 0.00 0.00 179.25 179.78 1t60 n ASN 187 N -4.21 4.10 -4.54 0.00 6.94 -1.26 -4.81 115.26 111.49 1t60 n ASN 187 Ca 0.00 -2.49 -0.42 0.00 -0.02 0.00 0.00 54.58 51.65 1t60 n ASN 187 Cb 0.23 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -2.00 2.99 -0.10 -2.53 0.00 -0.85 -4.11 121.76 115.16 1t60 s ALA 188 Ca 0.40 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1t60 s ALA 188 Cb 0.28 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1t60 s ALA 188 CO 0.16 -2.79 0.04 0.71 0.00 0.00 0.00 175.76 173.88 1t60 s TYR 189 N 4.77 3.28 -0.11 0.00 4.12 0.08 -4.94 117.35 124.55 1t60 s TYR 189 Ca 0.34 0.27 0.03 0.00 0.02 0.00 0.00 57.07 57.72 1t60 s TYR 189 Cb -0.10 -1.85 -0.01 0.00 -1.52 0.00 0.00 41.96 38.48 1t60 s TYR 189 CO 0.18 0.51 -0.20 -1.54 0.02 0.00 0.00 175.55 174.53 1t60 s SER 190 N -0.82 3.46 -0.12 2.29 1.04 -1.26 -1.84 113.70 116.45 1t60 s SER 190 Ca 0.13 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 1t60 s SER 190 Cb -0.12 -1.43 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1t60 s SER 190 CO 0.03 0.17 -0.03 -0.36 0.98 0.00 0.00 173.24 174.03 1t60 s PHE 191 N 0.27 3.05 0.08 5.02 0.40 0.51 -4.99 117.98 122.32 1t60 s PHE 191 Ca -0.14 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1t60 s PHE 191 Cb -0.17 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.47 1t60 s PHE 191 CO 0.07 0.19 -0.13 -1.58 0.70 0.00 0.00 175.22 174.48 1t60 s TRP 192 N -0.24 1.15 0.26 0.36 0.52 -1.26 -1.41 118.94 118.32 1t60 s TRP 192 Ca 0.05 -0.50 -0.30 0.00 0.02 0.00 0.00 56.10 55.37 1t60 s TRP 192 Cb -0.13 -0.64 -0.10 0.00 -1.15 0.00 0.00 33.47 31.45 1t60 s TRP 192 CO 0.02 0.04 1.40 -0.51 0.02 0.00 0.00 176.95 177.92 1t60 s LEU 193 N -1.89 4.40 0.54 2.99 1.43 -0.47 -4.91 118.68 120.78 1t60 s LEU 193 Ca -0.01 2.64 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1t60 s LEU 193 Cb -0.09 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1t60 s LEU 193 CO 0.02 -0.65 0.80 0.00 0.23 0.00 0.00 176.35 176.75 1t60 s ALA 194 N -0.24 3.60 0.09 4.21 0.00 -1.26 -1.04 121.76 127.12 1t60 s ALA 194 Ca 0.57 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1t60 s ALA 194 Cb -0.41 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1t60 s ALA 194 CO 0.45 -0.70 0.77 0.95 0.00 0.00 0.00 175.76 177.24 1t60 s THR 195 N -2.81 4.60 -0.08 0.00 -4.23 -0.58 -4.41 115.64 108.14 1t60 s THR 195 Ca 0.53 1.66 0.01 0.00 -1.18 0.00 0.00 61.69 62.72 1t60 s THR 195 Cb -0.10 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.63 1t60 s THR 195 CO 0.41 0.42 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.19 1t60 s ILE 196 N -0.43 0.97 0.03 2.99 -1.09 0.39 -4.96 121.20 119.10 1t60 s ILE 196 Ca 0.38 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 1t60 s ILE 196 Cb -0.21 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 1t60 s ILE 196 CO 0.24 0.34 0.96 -1.61 -1.23 0.00 0.00 174.94 173.64 1t60 s GLU 197 N 1.12 4.59 0.51 2.79 0.41 -1.26 -4.82 118.70 122.04 1t60 s GLU 197 Ca -0.06 1.40 0.32 0.00 -0.41 0.00 0.00 54.97 56.22 1t60 s GLU 197 Cb -0.14 -3.43 1.45 0.00 -1.78 0.00 0.00 34.13 30.22 1t60 s GLU 197 CO -0.01 0.03 1.80 -0.09 -0.49 0.00 0.00 175.26 176.50 1t60 h ARG 198 N 6.43 0.08 0.00 1.61 2.43 -2.00 0.50 114.38 123.44 1t60 h ARG 198 Ca -0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1t60 h ARG 198 Cb 1.22 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1t60 h ARG 198 CO 0.74 0.06 -0.17 -1.13 -1.51 0.00 0.00 179.97 177.96 1t60 n SER 199 N -4.29 0.78 -0.72 -3.80 3.41 -1.26 -3.42 113.62 104.31 1t60 n SER 199 Ca 0.25 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1t60 n SER 199 Cb 1.14 -0.54 0.11 0.00 -0.26 0.00 0.00 64.21 64.67 1t60 n SER 199 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t60 n GLU 200 N -2.21 1.80 -0.26 4.33 -0.58 0.17 -4.58 120.64 119.32 1t60 n GLU 200 Ca 0.05 -1.45 0.02 0.00 -0.42 0.00 0.00 57.16 55.36 1t60 n GLU 200 Cb 0.43 -1.47 0.10 0.00 -0.57 0.00 0.00 31.44 29.93 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1t60 h MET 201 N 3.54 0.02 -1.09 3.49 2.86 -1.51 -1.53 114.93 120.70 1t60 h MET 201 Ca 0.00 -0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 1t60 h MET 201 Cb 0.85 -0.00 -0.34 0.00 0.06 0.00 0.00 31.60 32.16 1t60 h MET 201 CO 0.00 0.01 0.24 1.19 1.06 0.00 0.00 176.91 179.41 1t60 n PHE 202 N -5.46 3.07 -4.30 -0.22 3.01 -1.26 -4.96 117.46 107.34 1t60 n PHE 202 Ca 0.11 -2.70 -0.22 0.00 1.01 0.00 0.00 57.45 55.65 1t60 n PHE 202 Cb 0.40 -0.96 -0.12 0.00 -0.01 0.00 0.00 39.48 38.79 1t60 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t60 s LYS 203 N -3.77 1.17 0.23 -1.08 -0.14 -0.58 -5.10 119.74 110.47 1t60 s LYS 203 Ca 0.58 -1.29 -0.32 0.00 -1.36 0.00 0.00 55.97 53.58 1t60 s LYS 203 Cb 0.46 -1.25 -0.12 0.00 -1.68 0.00 0.00 37.83 35.23 1t60 s LYS 203 CO -0.06 0.27 1.65 1.17 -0.76 0.00 0.00 175.35 177.62 1t60 n LYS 204 N 0.61 2.65 -1.84 1.68 4.81 -1.26 -4.91 118.16 119.91 1t60 n LYS 204 Ca -0.16 0.95 -0.39 0.00 -0.87 0.00 0.00 58.31 57.85 1t60 n LYS 204 Cb 0.56 -2.76 0.03 0.00 0.02 0.00 0.00 35.03 32.87 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1t60 s PRO 205 N 0.52 3.40 -0.38 1.64 0.02 -1.26 -4.97 135.00 133.97 1t60 s PRO 205 Ca 0.72 2.25 -0.19 0.00 0.02 0.00 0.00 61.00 63.80 1t60 s PRO 205 Cb -0.53 -2.42 0.01 0.00 0.02 0.00 0.00 34.50 31.58 1t60 s PRO 205 CO 0.39 -0.99 0.55 0.99 -0.33 0.00 0.00 177.00 177.61 1t60 s THR 206 N -1.29 4.96 0.62 0.99 2.01 -1.26 -5.04 115.64 116.64 1t60 s THR 206 Ca 0.67 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.71 1t60 s THR 206 Cb -0.40 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 1t60 s THR 206 CO 0.49 -0.35 0.83 -2.65 -0.69 0.00 0.00 174.62 172.25 1t60 n PRO 207 N 5.89 0.71 -3.68 4.92 -0.02 -1.26 -5.02 135.00 136.54 1t60 n PRO 207 Ca -0.04 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1t60 n PRO 207 Cb 0.48 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1t60 n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 208 N -1.30 -0.63 -0.24 2.55 0.15 -1.26 -5.13 113.70 107.85 1t60 s SER 208 Ca 0.74 1.08 -0.03 0.00 0.70 0.00 0.00 55.95 58.44 1t60 s SER 208 Cb -0.41 1.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1t60 s SER 208 CO 0.49 -0.21 -0.03 -0.89 1.20 0.00 0.00 173.24 173.80 1t60 s THR 209 N 1.59 3.26 -0.12 6.45 2.01 -1.26 -5.10 115.64 122.47 1t60 s THR 209 Ca -0.09 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1t60 s THR 209 Cb -0.08 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1t60 s THR 209 CO -0.15 0.30 0.03 -0.76 -0.69 0.00 0.00 174.62 173.35 1t60 s LEU 210 N 1.43 3.72 0.36 4.42 1.43 -1.26 -5.11 118.68 123.66 1t60 s LEU 210 Ca 0.03 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1t60 s LEU 210 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1t60 s LEU 210 CO -0.03 0.32 0.34 -0.54 0.23 0.00 0.00 176.35 176.67 1t60 s LYS 211 N -0.55 2.72 0.13 1.70 1.02 -1.26 -4.84 119.74 118.66 1t60 s LYS 211 Ca 0.10 -1.32 -0.35 0.00 0.02 0.00 0.00 55.97 54.42 1t60 s LYS 211 Cb -0.12 -2.49 -0.15 0.00 -0.52 0.00 0.00 37.83 34.55 1t60 s LYS 211 CO 0.02 0.02 1.49 0.00 -0.92 0.00 0.00 175.35 175.96 1t60 n ALA 212 N -1.45 0.46 0.00 5.17 0.00 -1.26 -1.43 120.51 122.00 1t60 n ALA 212 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1t60 n ALA 212 Cb 0.60 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1t60 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 213 N 3.08 2.54 0.00 0.00 0.00 -1.26 -4.85 105.19 104.69 1t60 n GLY 213 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1t60 n GLY 213 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1t60 n GLU 214 N -0.72 -0.29 -0.11 1.61 0.28 -0.51 -4.83 120.64 116.08 1t60 n GLU 214 Ca 0.00 -0.44 0.09 0.00 -0.16 0.00 0.00 57.16 56.65 1t60 n GLU 214 Cb 0.00 -0.83 0.44 0.00 1.43 0.00 0.00 31.44 32.48 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1t60 h LEU 215 N 0.00 0.49 0.00 -1.84 3.38 -1.86 -1.54 115.31 113.93 1t60 h LEU 215 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1t60 h LEU 215 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1t60 h LEU 215 CO 0.00 0.31 0.00 0.54 0.09 0.00 0.00 178.44 179.38 1t60 n ARG 216 N -4.48 0.32 0.27 1.13 1.74 -1.26 -3.58 116.66 110.80 1t60 n ARG 216 Ca 0.09 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 1t60 n ARG 216 Cb 0.28 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 30.96 1t60 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t60 h THR 217 N 0.00 0.68 -0.17 0.55 1.35 -1.64 -2.70 112.91 110.98 1t60 h THR 217 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1t60 h THR 217 Cb 0.27 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1t60 h THR 217 CO 0.00 0.09 0.00 1.41 -0.25 0.00 0.00 175.52 176.77 1t60 n HIS 218 N -3.86 0.33 -3.52 4.73 8.25 -1.23 -4.89 115.22 115.01 1t60 n HIS 218 Ca -0.02 -0.64 -0.37 0.00 -0.26 0.00 0.00 57.72 56.43 1t60 n HIS 218 Cb 0.19 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.12 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -1.60 5.29 0.50 1.59 1.01 -1.02 -1.52 120.40 124.64 1t60 s VAL 219 Ca 0.20 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.47 1t60 s VAL 219 Cb 0.14 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1t60 s VAL 219 CO 0.07 0.34 1.26 -0.55 0.00 0.00 0.00 175.10 176.22 1t60 s SER 220 N 0.77 5.71 0.29 3.32 0.15 -0.21 -4.54 113.70 119.19 1t60 s SER 220 Ca 0.15 2.53 0.06 0.00 0.70 0.00 0.00 55.95 59.40 1t60 s SER 220 Cb -0.14 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 220 CO 0.05 -1.25 0.34 -0.13 1.20 0.00 0.00 173.24 173.45 1t60 s ARG 221 N -2.81 3.07 0.17 5.44 1.81 -0.90 -1.31 118.95 124.43 1t60 s ARG 221 Ca 0.68 -1.02 -0.12 0.00 -1.72 0.00 0.00 55.73 53.55 1t60 s ARG 221 Cb -0.34 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 1t60 s ARG 221 CO 0.41 0.25 0.36 0.00 -0.68 0.00 0.00 175.30 175.63 1t60 s GLN 223 N -3.94 0.03 -0.17 0.00 0.74 -0.57 -0.71 119.66 115.05 1t60 s GLN 223 Ca 0.14 0.03 -0.13 0.00 0.05 0.00 0.00 55.36 55.46 1t60 s GLN 223 Cb 0.02 -0.11 -0.05 0.00 1.10 0.00 0.00 33.01 33.98 1t60 s GLN 223 CO -0.01 -0.04 0.27 0.08 -0.55 0.00 0.00 175.29 175.04 1t60 s VAL 224 N 0.29 5.32 0.12 1.34 1.01 0.88 -1.51 120.40 127.85 1t60 s VAL 224 Ca -0.02 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1t60 s VAL 224 Cb -0.04 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1t60 s VAL 224 CO -0.01 0.38 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 1t60 s MET 226 N -2.51 2.15 0.16 0.00 -2.45 0.10 -0.23 119.30 116.53 1t60 s MET 226 Ca 0.09 -0.81 -0.31 0.00 -1.25 0.00 0.00 55.69 53.41 1t60 s MET 226 Cb -0.06 -1.91 -0.09 0.00 1.25 0.00 0.00 34.83 34.02 1t60 s MET 226 CO 0.04 0.39 1.45 0.50 1.05 0.00 0.00 175.02 178.45 1t60 s ARG 227 N -0.24 4.28 0.00 4.11 3.00 0.42 0.00 118.95 130.52 1t60 s ARG 227 Ca 0.01 2.20 0.26 0.00 -1.00 0.00 0.00 55.73 57.19 1t60 s ARG 227 Cb -0.12 -3.19 1.54 0.00 0.00 0.00 0.00 34.95 33.18 1t60 s ARG 227 CO 0.02 -0.47 1.89 0.54 0.00 0.00 0.00 175.30 177.28