#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhe s LEU 76 N 0.00 4.37 0.07 0.99 1.43 -0.04 -4.67 118.68 120.83 1jhe s LEU 76 Ca 0.00 2.49 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 1jhe s LEU 76 Cb 0.00 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 1jhe s LEU 76 CO 0.00 -0.92 0.78 -2.16 0.23 0.00 0.00 176.35 174.28 1jhe s PRO 77 N 3.04 4.52 -0.28 1.29 0.04 -1.26 0.40 135.00 142.75 1jhe s PRO 77 Ca 0.76 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1jhe s PRO 77 Cb -0.40 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1jhe s PRO 77 CO 0.33 0.34 0.29 -1.17 0.04 0.00 0.00 177.00 176.83 1jhe s LEU 78 N -0.27 4.09 -0.03 -3.56 2.96 0.24 0.07 118.68 122.18 1jhe s LEU 78 Ca 0.38 0.09 0.12 0.00 -0.22 0.00 0.00 54.13 54.50 1jhe s LEU 78 Cb -0.21 -2.28 0.35 0.00 0.50 0.00 0.00 46.19 44.54 1jhe s LEU 78 CO 0.24 -0.15 1.29 1.33 -1.32 0.00 0.00 176.35 177.74 1jhe n VAL 79 N 5.11 1.19 0.00 1.68 0.24 -0.84 -0.03 118.33 125.67 1jhe n VAL 79 Ca -0.11 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1jhe n VAL 79 Cb 0.51 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 1jhe n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhe n GLY 80 N 0.41 0.77 3.92 7.63 0.00 -1.26 -1.21 105.19 115.45 1jhe n GLY 80 Ca 0.13 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 1jhe n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jhe s ARG 81 N -1.38 3.31 -0.08 1.61 0.52 -1.26 -0.50 118.95 121.17 1jhe s ARG 81 Ca 0.00 -0.04 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 1jhe s ARG 81 Cb 0.00 -2.42 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1jhe s ARG 81 CO 0.00 -0.28 0.21 0.54 0.02 0.00 0.00 175.30 175.80 1jhe s VAL 82 N -2.71 0.00 -0.20 3.52 0.11 -0.24 -4.75 120.40 116.12 1jhe s VAL 82 Ca 0.48 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.37 1jhe s VAL 82 Cb -0.10 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1jhe s VAL 82 CO 0.43 -0.00 0.39 0.00 -3.33 0.00 0.00 175.10 172.58 1jhe s ALA 83 N 0.10 3.56 -1.14 1.54 0.00 -1.15 -1.50 121.76 123.18 1jhe s ALA 83 Ca -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 1jhe s ALA 83 Cb -0.02 -2.63 0.27 0.00 0.00 0.00 0.00 23.12 20.75 1jhe s ALA 83 CO 0.00 -0.31 1.57 0.00 0.00 0.00 0.00 175.76 177.02 1jhe n ALA 84 N 4.50 5.16 0.00 0.00 0.00 0.10 -1.50 120.51 128.77 1jhe n ALA 84 Ca -0.09 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1jhe n ALA 84 Cb 0.51 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1jhe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jhe n GLY 85 N 1.82 -0.57 3.68 0.00 0.00 -1.26 -1.42 105.19 107.44 1jhe n GLY 85 Ca 0.30 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1jhe n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jhe s GLU 86 N -1.70 4.17 -0.22 1.61 2.12 -1.26 -4.79 118.70 118.63 1jhe s GLU 86 Ca 0.00 2.46 -0.41 0.00 0.36 0.00 0.00 54.97 57.38 1jhe s GLU 86 Cb 0.00 -3.69 -0.17 0.00 0.26 0.00 0.00 34.13 30.53 1jhe s GLU 86 CO 0.00 -0.81 1.58 -2.30 -0.54 0.00 0.00 175.26 173.19 1jhe n PRO 87 N 5.97 0.87 -4.13 4.30 -0.02 -1.26 -4.78 135.00 135.95 1jhe n PRO 87 Ca 0.17 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 1jhe n PRO 87 Cb 0.40 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1jhe n PRO 87 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1jhe s LEU 88 N 2.52 3.59 0.23 2.45 0.05 -0.38 -4.68 118.68 122.46 1jhe s LEU 88 Ca 0.96 -0.22 -0.30 0.00 0.05 0.00 0.00 54.13 54.62 1jhe s LEU 88 Cb -1.13 -2.23 -0.10 0.00 -2.05 0.00 0.00 46.19 40.68 1jhe s LEU 88 CO 0.64 0.10 1.39 -2.16 -0.55 0.00 0.00 176.35 175.76 1jhe s PRO 89 N -2.90 4.32 -0.30 1.48 0.04 -1.26 -0.79 135.00 135.58 1jhe s PRO 89 Ca 0.29 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 1jhe s PRO 89 Cb -0.10 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.48 1jhe s PRO 89 CO 0.21 -0.35 0.61 0.00 0.04 0.00 0.00 177.00 177.51 1jhe s ALA 90 N 0.05 -2.30 -0.66 8.56 0.00 -1.26 -4.92 121.76 121.22 1jhe s ALA 90 Ca 0.58 1.83 -0.23 0.00 0.00 0.00 0.00 51.96 54.14 1jhe s ALA 90 Cb -0.40 -2.18 0.06 0.00 0.00 0.00 0.00 23.12 20.60 1jhe s ALA 90 CO 0.41 -1.34 1.02 -0.65 0.00 0.00 0.00 175.76 175.21 1jhe s GLN 91 N 2.86 3.14 0.36 0.00 -1.52 -1.26 -4.92 119.66 118.33 1jhe s GLN 91 Ca 0.20 -0.68 -0.28 0.00 -1.95 0.00 0.00 55.36 52.65 1jhe s GLN 91 Cb -0.15 -4.20 -0.11 0.00 -0.22 0.00 0.00 33.01 28.33 1jhe s GLN 91 CO -0.21 -1.85 1.45 -1.58 -0.25 0.00 0.00 175.29 172.85 1jhe s TRP 92 N 4.36 2.72 -0.21 0.91 0.51 -1.26 -4.97 118.94 121.00 1jhe s TRP 92 Ca 0.25 1.20 -0.24 0.00 -2.12 0.00 0.00 56.10 55.19 1jhe s TRP 92 Cb -0.15 -3.94 0.06 0.00 -0.81 0.00 0.00 33.47 28.64 1jhe s TRP 92 CO 0.12 -2.75 0.66 -1.58 -0.51 0.00 0.00 176.95 172.88 1jhe s HIS 93 N -1.02 -0.70 -0.33 -1.98 2.46 -0.35 -5.03 115.29 108.34 1jhe s HIS 93 Ca 0.53 1.62 -0.28 0.00 0.47 0.00 0.00 55.06 57.40 1jhe s HIS 93 Cb -0.45 0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.23 1jhe s HIS 93 CO 0.59 -0.40 2.16 0.42 -2.47 0.00 0.00 174.74 175.05 1jhe s ILE 94 N 0.04 3.12 -0.19 0.89 -1.09 -1.26 -4.09 121.20 118.62 1jhe s ILE 94 Ca -0.02 0.11 0.22 0.00 -2.23 0.00 0.00 60.65 58.73 1jhe s ILE 94 Cb -0.04 -3.20 -0.28 0.00 -1.58 0.00 0.00 42.46 37.37 1jhe s ILE 94 CO 0.03 -0.15 0.62 -0.62 -1.23 0.00 0.00 174.94 173.59 1jhe n GLU 95 N 8.79 0.56 -3.82 2.79 1.02 0.95 -5.00 120.64 125.93 1jhe n GLU 95 Ca 0.30 -0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1jhe n GLU 95 Cb 0.48 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1jhe n GLU 95 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jhe s GLY 96 N -4.28 -0.34 -0.03 0.62 0.00 -1.20 -4.96 107.32 97.12 1jhe s GLY 96 Ca -0.05 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.21 1jhe s GLY 96 CO 0.89 3.76 -0.08 0.30 0.00 0.00 0.00 173.10 177.96 1jhe s HIS 97 N -2.03 0.89 -0.17 1.90 3.76 -1.26 -0.59 115.29 117.80 1jhe s HIS 97 Ca 0.24 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1jhe s HIS 97 Cb 0.03 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 33.05 1jhe s HIS 97 CO -0.04 -0.12 -0.10 0.71 -0.85 0.00 0.00 174.74 174.33 1jhe s TYR 98 N 0.37 2.87 -1.00 1.40 2.02 0.16 -4.89 117.35 118.28 1jhe s TYR 98 Ca -0.06 -0.81 -0.23 0.00 -0.37 0.00 0.00 57.07 55.60 1jhe s TYR 98 Cb -0.10 -1.94 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1jhe s TYR 98 CO 0.01 -0.36 1.63 -0.65 -1.57 0.00 0.00 175.55 174.60 1jhe s GLN 99 N 0.81 3.25 -0.15 -0.62 -1.52 -1.26 -0.86 119.66 119.31 1jhe s GLN 99 Ca -0.04 -0.90 -0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1jhe s GLN 99 Cb -0.15 -5.27 0.06 0.00 -0.22 0.00 0.00 33.01 27.43 1jhe s GLN 99 CO 0.01 -2.63 0.14 0.08 -0.25 0.00 0.00 175.29 172.65 1jhe s VAL 100 N 6.71 -0.21 -0.17 1.09 1.01 -1.26 -5.01 120.40 122.56 1jhe s VAL 100 Ca 0.55 0.04 -0.41 0.00 0.00 0.00 0.00 61.98 62.15 1jhe s VAL 100 Cb -0.02 -0.49 -0.18 0.00 0.00 0.00 0.00 36.38 35.68 1jhe s VAL 100 CO -0.06 -0.11 1.40 -0.67 0.00 0.00 0.00 175.10 175.67 1jhe n ASP 101 N 5.31 1.15 0.28 3.32 4.64 -1.26 -4.51 116.55 125.47 1jhe n ASP 101 Ca -0.06 1.14 0.17 0.00 -1.38 0.00 0.00 54.79 54.67 1jhe n ASP 101 Cb 0.49 -1.01 0.70 0.00 -1.04 0.00 0.00 41.12 40.26 1jhe n ASP 101 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1jhe h PRO 102 N 4.70 0.00 0.00 -0.67 0.11 -1.97 -2.70 132.00 131.47 1jhe h PRO 102 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jhe h PRO 102 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1jhe h PRO 102 CO 0.83 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 179.07 1jhe n SER 103 N -3.06 0.47 0.23 -2.05 2.88 -1.26 -2.57 113.62 108.27 1jhe n SER 103 Ca 0.01 0.62 0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1jhe n SER 103 Cb 0.30 -0.72 0.73 0.00 -0.75 0.00 0.00 64.21 63.77 1jhe n SER 103 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1jhe h LEU 104 N 0.00 0.00 -9.41 2.46 3.38 -1.85 -3.44 115.31 106.46 1jhe h LEU 104 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1jhe h LEU 104 Cb 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 1jhe h LEU 104 CO 0.00 0.00 -0.69 -0.36 0.09 0.00 0.00 178.44 177.48 1jhe s PHE 105 N -3.66 2.58 -0.19 1.13 0.40 -1.16 -5.09 117.98 112.00 1jhe s PHE 105 Ca 0.00 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1jhe s PHE 105 Cb 0.09 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.50 1jhe s PHE 105 CO 0.42 0.61 -0.04 0.21 0.70 0.00 0.00 175.22 177.13 1jhe s LYS 106 N -3.40 1.36 1.05 0.44 2.20 -1.26 -3.04 119.74 117.09 1jhe s LYS 106 Ca 0.29 -0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 55.13 1jhe s LYS 106 Cb -0.07 -2.17 0.21 0.00 -1.51 0.00 0.00 37.83 34.30 1jhe s LYS 106 CO 0.17 -0.51 1.12 -2.14 -0.36 0.00 0.00 175.35 173.64 1jhe s PRO 107 N 1.61 0.00 0.43 4.03 0.02 -1.26 -4.96 135.00 134.87 1jhe s PRO 107 Ca -0.01 0.19 -0.24 0.00 0.02 0.00 0.00 61.00 60.96 1jhe s PRO 107 Cb -0.16 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1jhe s PRO 107 CO -0.07 -2.95 1.01 0.09 -0.33 0.00 0.00 177.00 174.75 1jhe n ASN 108 N -4.27 1.26 -4.78 2.53 5.03 -1.17 -4.82 115.26 109.04 1jhe n ASN 108 Ca 0.09 1.02 -0.39 0.00 0.87 0.00 0.00 54.58 56.17 1jhe n ASN 108 Cb 0.59 -1.36 -0.06 0.00 -1.02 0.00 0.00 39.78 37.93 1jhe n ASN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jhe s ALA 109 N -1.29 3.46 -0.04 5.41 0.00 -1.06 -4.29 121.76 123.95 1jhe s ALA 109 Ca 0.64 0.28 0.15 0.00 0.00 0.00 0.00 51.96 53.03 1jhe s ALA 109 Cb -0.55 -2.90 -0.23 0.00 0.00 0.00 0.00 23.12 19.44 1jhe s ALA 109 CO 0.56 0.27 0.30 -0.25 0.00 0.00 0.00 175.76 176.64 1jhe n ASP 110 N 1.88 1.40 -3.70 0.00 9.92 0.15 -4.74 116.55 121.46 1jhe n ASP 110 Ca -0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.17 1jhe n ASP 110 Cb 0.49 1.58 -0.01 0.00 -0.64 0.00 0.00 41.12 42.54 1jhe n ASP 110 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1jhe s PHE 111 N -2.98 -0.13 0.21 1.24 -0.71 -1.06 -4.47 117.98 110.09 1jhe s PHE 111 Ca -0.06 -0.11 0.10 0.00 -1.04 0.00 0.00 56.93 55.82 1jhe s PHE 111 Cb 0.09 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.47 1jhe s PHE 111 CO 0.65 -0.68 -0.15 -0.51 -1.34 0.00 0.00 175.22 173.19 1jhe s LEU 112 N -2.89 2.76 0.04 -1.99 1.43 0.11 -1.35 118.68 116.80 1jhe s LEU 112 Ca 0.12 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1jhe s LEU 112 Cb -0.00 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 1jhe s LEU 112 CO -0.00 0.08 -0.10 -0.76 0.23 0.00 0.00 176.35 175.80 1jhe s LEU 113 N -3.01 2.21 -0.20 1.79 1.43 -0.87 -1.98 118.68 118.06 1jhe s LEU 113 Ca 0.25 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1jhe s LEU 113 Cb -0.08 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 1jhe s LEU 113 CO 0.14 -0.10 0.52 -0.60 0.23 0.00 0.00 176.35 176.54 1jhe s ARG 114 N -1.35 4.19 0.22 1.70 6.06 0.34 -1.08 118.95 129.03 1jhe s ARG 114 Ca -0.04 0.41 -0.29 0.00 -2.50 0.00 0.00 55.73 53.30 1jhe s ARG 114 Cb -0.09 -3.56 -0.09 0.00 0.06 0.00 0.00 34.95 31.28 1jhe s ARG 114 CO 0.01 -0.14 0.92 0.08 -2.50 0.00 0.00 175.30 173.67 1jhe s VAL 115 N 1.62 4.14 -0.17 7.11 1.01 0.29 -1.08 120.40 133.31 1jhe s VAL 115 Ca 0.24 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 64.24 1jhe s VAL 115 Cb -0.15 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 31.97 1jhe s VAL 115 CO 0.10 0.49 0.02 -0.55 0.00 0.00 0.00 175.10 175.15 1jhe s SER 116 N -1.09 2.74 0.00 3.32 0.15 -0.56 -0.28 113.70 117.98 1jhe s SER 116 Ca 0.41 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1jhe s SER 116 Cb -0.25 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1jhe s SER 116 CO 0.31 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1jhe n GLY 117 N 5.03 2.53 0.64 9.45 0.00 -1.26 0.01 105.19 121.59 1jhe n GLY 117 Ca -0.09 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.91 1jhe n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jhe n MET 118 N -0.52 2.77 0.28 1.61 2.81 -1.15 -3.19 117.12 119.72 1jhe n MET 118 Ca 0.00 -2.40 0.11 0.00 -1.81 0.00 0.00 57.70 53.61 1jhe n MET 118 Cb 0.00 -1.52 0.77 0.00 -0.71 0.00 0.00 33.22 31.76 1jhe n MET 118 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1jhe h SER 119 N 1.57 0.00 -0.74 7.83 4.64 -1.57 -2.42 113.55 122.87 1jhe h SER 119 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1jhe h SER 119 Cb 1.05 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.88 1jhe h SER 119 CO 0.10 0.00 0.21 0.23 -0.87 0.00 0.00 176.83 176.50 1jhe n MET 120 N -4.21 2.48 -0.04 4.77 2.00 -1.26 0.20 117.12 121.05 1jhe n MET 120 Ca -0.03 -3.36 -0.07 0.00 0.00 0.00 0.00 57.70 54.24 1jhe n MET 120 Cb 0.09 -2.11 0.10 0.00 0.00 0.00 0.00 33.22 31.30 1jhe n MET 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1jhe h LYS 121 N 1.49 0.66 0.00 0.03 2.10 -1.39 -2.14 116.57 117.32 1jhe h LYS 121 Ca 0.45 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1jhe h LYS 121 Cb 1.66 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1jhe h LYS 121 CO 0.95 0.89 0.00 -0.25 -2.00 0.00 0.00 179.45 179.03 1jhe n ASP 122 N -4.08 0.00 -0.18 7.07 8.00 0.60 -1.05 116.55 126.92 1jhe n ASP 122 Ca -0.01 0.26 0.08 0.00 0.71 0.00 0.00 54.79 55.83 1jhe n ASP 122 Cb 0.47 -0.30 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 1jhe n ASP 122 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1jhe n ILE 123 N -1.30 1.51 -0.76 0.53 -5.35 -1.17 -4.99 119.36 107.82 1jhe n ILE 123 Ca 0.01 -1.83 0.00 0.00 -0.27 0.00 0.00 62.75 60.66 1jhe n ILE 123 Cb 0.02 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1jhe n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhe n GLY 124 N -1.13 0.66 3.46 3.28 0.00 -0.21 -5.02 105.19 106.23 1jhe n GLY 124 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1jhe n GLY 124 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhe s ILE 125 N -2.26 4.82 0.10 -0.61 1.01 -0.81 -5.01 121.20 118.44 1jhe s ILE 125 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.33 1jhe s ILE 125 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1jhe s ILE 125 CO 0.00 -0.82 0.07 -0.04 0.00 0.00 0.00 174.94 174.15 1jhe s MET 126 N 2.79 2.80 0.27 2.79 -1.94 -1.26 -3.41 119.30 121.34 1jhe s MET 126 Ca 0.17 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 53.11 1jhe s MET 126 Cb -0.18 -2.66 -0.15 0.00 2.01 0.00 0.00 34.83 33.85 1jhe s MET 126 CO 0.13 0.54 0.89 -3.47 -0.01 0.00 0.00 175.02 173.10 1jhe n ASP 127 N 0.32 0.67 0.00 3.03 2.03 -1.19 -1.20 116.55 120.21 1jhe n ASP 127 Ca -0.09 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1jhe n ASP 127 Cb 0.52 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1jhe n ASP 127 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhe n GLY 128 N 1.41 3.22 3.75 0.27 0.00 0.62 -4.97 105.19 109.49 1jhe n GLY 128 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1jhe n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jhe s ASP 129 N -0.84 5.33 -0.23 1.61 1.11 -0.34 -4.59 116.67 118.71 1jhe s ASP 129 Ca 0.00 2.51 -0.16 0.00 0.18 0.00 0.00 52.55 55.07 1jhe s ASP 129 Cb 0.00 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1jhe s ASP 129 CO 0.00 -1.51 0.43 -0.76 1.18 0.00 0.00 175.17 174.51 1jhe s LEU 130 N -3.76 4.10 -0.28 1.23 1.43 0.49 -0.55 118.68 121.34 1jhe s LEU 130 Ca 0.74 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1jhe s LEU 130 Cb -0.34 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1jhe s LEU 130 CO 0.38 -0.17 0.18 -0.22 0.23 0.00 0.00 176.35 176.76 1jhe s LEU 131 N 1.79 4.01 0.36 1.79 2.96 -0.24 -0.65 118.68 128.70 1jhe s LEU 131 Ca 0.19 -0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.76 1jhe s LEU 131 Cb -0.15 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 1jhe s LEU 131 CO 0.09 -0.07 0.98 0.00 -1.32 0.00 0.00 176.35 176.03 1jhe s ALA 132 N 1.74 3.15 -0.03 5.97 0.00 0.65 -2.05 121.76 131.19 1jhe s ALA 132 Ca 0.07 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1jhe s ALA 132 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1jhe s ALA 132 CO 0.10 0.05 0.07 0.08 0.00 0.00 0.00 175.76 176.06 1jhe s VAL 133 N -1.70 -0.02 -0.20 0.00 1.01 -0.46 -2.15 120.40 116.88 1jhe s VAL 133 Ca 0.54 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1jhe s VAL 133 Cb -0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1jhe s VAL 133 CO 0.24 0.03 0.11 -2.28 0.00 0.00 0.00 175.10 173.20 1jhe s HIS 134 N 0.47 3.31 -0.33 5.22 5.65 -0.54 0.31 115.29 129.38 1jhe s HIS 134 Ca -0.04 0.17 -0.27 0.00 0.25 0.00 0.00 55.06 55.17 1jhe s HIS 134 Cb -0.05 -2.16 0.01 0.00 -1.18 0.00 0.00 32.58 29.20 1jhe s HIS 134 CO -0.02 0.15 0.99 0.21 -0.65 0.00 0.00 174.74 175.42 1jhe s LYS 135 N 0.59 3.99 0.00 2.88 2.20 -1.26 -1.72 119.74 126.42 1jhe s LYS 135 Ca 0.06 0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 56.25 1jhe s LYS 135 Cb -0.12 -3.75 0.08 0.00 -1.51 0.00 0.00 37.83 32.53 1jhe s LYS 135 CO 0.01 -0.87 0.73 -0.08 -0.36 0.00 0.00 175.35 174.78 1jhe s THR 136 N 3.48 0.00 -0.13 3.43 -1.32 -1.22 -5.00 115.64 114.88 1jhe s THR 136 Ca 0.41 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.97 1jhe s THR 136 Cb -0.12 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.63 1jhe s THR 136 CO 0.16 0.00 0.32 1.67 -2.21 0.00 0.00 174.62 174.55 1jhe n GLN 137 N 0.33 0.68 -3.00 7.08 7.27 -1.26 -3.59 117.38 124.89 1jhe n GLN 137 Ca -0.16 0.19 -0.44 0.00 0.07 0.00 0.00 57.00 56.66 1jhe n GLN 137 Cb 0.60 -1.67 -0.02 0.00 2.41 0.00 0.00 30.24 31.56 1jhe n GLN 137 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1jhe s ASP 138 N -6.20 6.65 0.07 1.69 -0.00 -1.26 -4.81 116.67 112.81 1jhe s ASP 138 Ca -0.14 -2.16 0.08 0.00 -0.00 0.00 0.00 52.55 50.33 1jhe s ASP 138 Cb 0.07 -2.36 -0.03 0.00 -0.00 0.00 0.00 42.92 40.60 1jhe s ASP 138 CO 0.78 -0.97 -0.20 -0.69 -0.00 0.00 0.00 175.17 174.09 1jhe s VAL 139 N 2.21 2.68 0.25 -1.27 1.01 -1.26 -5.07 120.40 118.95 1jhe s VAL 139 Ca 0.30 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1jhe s VAL 139 Cb -0.06 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1jhe s VAL 139 CO -0.09 0.24 0.24 0.00 0.00 0.00 0.00 175.10 175.49 1jhe s ARG 140 N -1.70 3.05 0.20 2.72 1.70 -1.26 -5.04 118.95 118.62 1jhe s ARG 140 Ca 0.15 -0.99 -0.31 0.00 -0.47 0.00 0.00 55.73 54.12 1jhe s ARG 140 Cb -0.10 -2.64 -0.16 0.00 -0.57 0.00 0.00 34.95 31.47 1jhe s ARG 140 CO 0.06 0.40 0.89 0.09 -1.08 0.00 0.00 175.30 175.67 1jhe n ASN 141 N -1.24 0.28 0.00 -2.89 4.13 -1.26 -1.76 115.26 112.53 1jhe n ASN 141 Ca -0.08 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.33 1jhe n ASN 141 Cb 0.58 -1.11 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 1jhe n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jhe n GLY 142 N 1.74 3.32 3.89 7.41 0.00 0.11 -4.99 105.19 116.68 1jhe n GLY 142 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1jhe n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jhe s GLN 143 N -0.68 3.57 -0.22 1.61 -0.21 -0.72 -4.70 119.66 118.31 1jhe s GLN 143 Ca 0.00 0.42 -0.21 0.00 0.02 0.00 0.00 55.36 55.59 1jhe s GLN 143 Cb 0.00 -2.26 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1jhe s GLN 143 CO 0.00 -0.35 0.64 0.08 -2.12 0.00 0.00 175.29 173.54 1jhe s VAL 144 N -2.91 5.00 0.42 1.09 1.01 -1.26 -0.97 120.40 122.78 1jhe s VAL 144 Ca 0.50 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1jhe s VAL 144 Cb -0.11 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1jhe s VAL 144 CO 0.48 0.07 0.01 0.68 0.00 0.00 0.00 175.10 176.34 1jhe s VAL 145 N 2.19 1.86 -0.22 2.92 -7.23 0.11 -1.35 120.40 118.67 1jhe s VAL 145 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1jhe s VAL 145 Cb -0.16 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.94 1jhe s VAL 145 CO 0.09 0.00 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.08 1jhe s VAL 146 N -2.75 2.61 0.18 1.32 1.01 -0.53 -2.11 120.40 120.13 1jhe s VAL 146 Ca 0.30 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.43 1jhe s VAL 146 Cb 0.09 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1jhe s VAL 146 CO 0.16 0.36 -0.17 0.00 0.00 0.00 0.00 175.10 175.44 1jhe s ALA 147 N 1.32 2.04 -0.01 5.51 0.00 -0.44 -0.65 121.76 129.53 1jhe s ALA 147 Ca 0.02 -1.57 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1jhe s ALA 147 Cb -0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1jhe s ALA 147 CO -0.08 0.17 -0.21 0.50 0.00 0.00 0.00 175.76 176.15 1jhe s ARG 148 N -3.14 1.66 -0.11 0.00 3.52 0.16 -1.78 118.95 119.26 1jhe s ARG 148 Ca 0.19 -0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 54.93 1jhe s ARG 148 Cb -0.04 -1.63 0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1jhe s ARG 148 CO 0.07 0.44 0.27 0.42 -0.81 0.00 0.00 175.30 175.70 1jhe s ILE 149 N -0.53 -0.01 -1.60 4.11 1.01 -0.12 -1.72 121.20 122.34 1jhe s ILE 149 Ca 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1jhe s ILE 149 Cb -0.08 -0.40 0.08 0.00 0.01 0.00 0.00 42.46 42.07 1jhe s ILE 149 CO -0.00 0.02 0.38 -0.90 0.00 0.00 0.00 174.94 174.43 1jhe n ASP 150 N 3.36 -0.74 0.00 3.58 5.75 -1.26 0.38 116.55 127.62 1jhe n ASP 150 Ca -0.17 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1jhe n ASP 150 Cb 0.57 -2.22 0.00 0.00 -1.03 0.00 0.00 41.12 38.43 1jhe n ASP 150 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1jhe n ASP 151 N -2.79 -1.88 -4.74 -1.12 8.00 -1.26 -4.98 116.55 107.78 1jhe n ASP 151 Ca -0.16 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.99 1jhe n ASP 151 Cb 0.61 -2.41 -0.08 0.00 -0.02 0.00 0.00 41.12 39.21 1jhe n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jhe s ALA 152 N -1.37 3.45 0.11 2.24 0.00 0.16 -4.14 121.76 122.21 1jhe s ALA 152 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1jhe s ALA 152 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1jhe s ALA 152 CO 0.00 0.63 0.14 0.14 0.00 0.00 0.00 175.76 176.67 1jhe s VAL 153 N -1.02 4.74 0.20 0.00 -7.23 0.03 -0.94 120.40 116.17 1jhe s VAL 153 Ca 0.17 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 1jhe s VAL 153 Cb -0.12 -3.34 0.02 0.00 0.56 0.00 0.00 36.38 33.50 1jhe s VAL 153 CO 0.07 0.04 0.47 0.28 -0.31 0.00 0.00 175.10 175.65 1jhe s THR 154 N -1.55 0.03 -0.04 5.32 -1.32 -0.73 -1.25 115.64 116.11 1jhe s THR 154 Ca 0.31 -0.98 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1jhe s THR 154 Cb -0.12 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 69.17 1jhe s THR 154 CO 0.24 -0.14 -0.13 0.54 -2.21 0.00 0.00 174.62 172.92 1jhe s VAL 155 N -3.91 1.09 0.12 5.08 0.11 -0.56 -1.32 120.40 121.01 1jhe s VAL 155 Ca 0.12 -0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 1jhe s VAL 155 Cb -0.00 -0.95 0.08 0.00 -1.53 0.00 0.00 36.38 33.98 1jhe s VAL 155 CO -0.01 0.33 1.08 0.00 -3.33 0.00 0.00 175.10 173.17 1jhe n ALA 156 N 3.26 -2.91 -2.33 1.54 0.00 -0.90 -4.57 120.51 114.60 1jhe n ALA 156 Ca -0.18 -0.94 -0.39 0.00 0.00 0.00 0.00 53.44 51.92 1jhe n ALA 156 Cb 0.53 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 1jhe n ALA 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1jhe s ARG 157 N -2.04 4.37 0.05 0.00 3.52 0.56 -0.72 118.95 124.69 1jhe s ARG 157 Ca 0.25 0.88 -0.16 0.00 -0.13 0.00 0.00 55.73 56.56 1jhe s ARG 157 Cb -0.02 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 30.00 1jhe s ARG 157 CO 0.04 0.44 0.49 -1.17 -0.81 0.00 0.00 175.30 174.29 1jhe s LEU 158 N -0.52 4.48 -0.41 -0.88 2.96 -0.15 -0.60 118.68 123.56 1jhe s LEU 158 Ca 0.33 1.10 0.06 0.00 -0.22 0.00 0.00 54.13 55.40 1jhe s LEU 158 Cb -0.20 -2.79 0.17 0.00 0.50 0.00 0.00 46.19 43.87 1jhe s LEU 158 CO 0.20 0.28 0.55 -0.75 -1.32 0.00 0.00 176.35 175.31 1jhe s LYS 159 N -1.20 0.79 -0.28 1.98 2.20 -1.03 0.08 119.74 122.28 1jhe s LYS 159 Ca 0.28 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 1jhe s LYS 159 Cb -0.18 -0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 35.91 1jhe s LYS 159 CO 0.16 -1.21 0.11 0.21 -0.36 0.00 0.00 175.35 174.27 1jhe s LYS 160 N 1.59 3.55 -0.27 4.03 2.20 -1.26 -1.22 119.74 128.36 1jhe s LYS 160 Ca 0.18 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1jhe s LYS 160 Cb -0.07 -3.45 0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1jhe s LYS 160 CO -0.06 -0.28 -0.07 -0.65 -0.36 0.00 0.00 175.35 173.93 1jhe s GLN 161 N 1.63 2.05 7.80 4.03 -0.21 -0.27 -4.99 119.66 129.69 1jhe s GLN 161 Ca 0.06 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1jhe s GLN 161 Cb -0.16 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.93 1jhe s GLN 161 CO 0.05 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 172.99 1jhe n GLY 162 N 4.41 3.39 2.00 3.09 0.00 -1.26 -1.92 105.19 114.91 1jhe n GLY 162 Ca -0.10 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1jhe n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jhe n ASN 163 N 6.00 4.36 -3.98 1.61 6.94 -1.26 -4.81 115.26 124.12 1jhe n ASN 163 Ca 0.00 -3.24 -0.29 0.00 -0.02 0.00 0.00 54.58 51.03 1jhe n ASN 163 Cb 0.00 -0.76 -0.16 0.00 -2.36 0.00 0.00 39.78 36.50 1jhe n ASN 163 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1jhe s LYS 164 N -2.88 2.01 -0.15 -3.83 2.20 -0.81 -0.43 119.74 115.85 1jhe s LYS 164 Ca 0.52 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1jhe s LYS 164 Cb 0.42 -2.06 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1jhe s LYS 164 CO 0.12 -0.30 -0.11 0.08 -0.36 0.00 0.00 175.35 174.78 1jhe s VAL 165 N 1.53 3.16 -0.08 4.02 1.01 0.55 -1.11 120.40 129.46 1jhe s VAL 165 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1jhe s VAL 165 Cb -0.14 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1jhe s VAL 165 CO -0.09 0.51 0.02 -1.61 0.00 0.00 0.00 175.10 173.92 1jhe s GLU 166 N 0.57 3.03 -0.28 2.72 2.02 -0.36 -0.80 118.70 125.60 1jhe s GLU 166 Ca -0.07 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1jhe s GLU 166 Cb -0.15 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.29 1jhe s GLU 166 CO 0.03 0.71 -0.05 -0.51 0.02 0.00 0.00 175.26 175.46 1jhe s LEU 167 N -0.95 3.68 0.04 1.80 1.43 0.29 -2.46 118.68 122.50 1jhe s LEU 167 Ca 0.14 -1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 51.86 1jhe s LEU 167 Cb -0.11 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1jhe s LEU 167 CO 0.03 -0.23 0.30 -0.76 0.23 0.00 0.00 176.35 175.92 1jhe s LEU 168 N 1.19 4.36 0.00 1.79 1.43 0.23 -1.09 118.68 126.59 1jhe s LEU 168 Ca -0.07 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1jhe s LEU 168 Cb -0.20 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1jhe s LEU 168 CO -0.03 0.22 0.09 -0.81 0.23 0.00 0.00 176.35 176.05 1jhe n PRO 169 N 0.94 0.84 -2.93 1.29 -0.04 -1.26 -0.32 135.00 133.52 1jhe n PRO 169 Ca -0.10 -0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 62.87 1jhe n PRO 169 Cb 0.53 -0.04 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1jhe n PRO 169 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jhe n GLU 170 N -1.15 1.56 -3.15 0.54 -0.58 0.13 -4.81 120.64 113.17 1jhe n GLU 170 Ca 0.02 -3.65 0.05 0.00 -0.42 0.00 0.00 57.16 53.16 1jhe n GLU 170 Cb 0.06 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.23 1jhe n GLU 170 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1jhe s ASN 171 N -2.88 -0.78 0.63 1.62 3.84 -1.08 -0.29 114.94 116.00 1jhe s ASN 171 Ca 0.38 0.50 0.24 0.00 0.21 0.00 0.00 52.86 54.19 1jhe s ASN 171 Cb 0.38 1.66 1.24 0.00 -0.55 0.00 0.00 41.25 43.98 1jhe s ASN 171 CO -0.06 -0.15 1.70 0.28 -2.79 0.00 0.00 177.10 176.08 1jhe h SER 172 N 8.00 0.00 0.73 -4.21 0.02 -1.94 -0.20 113.55 115.95 1jhe h SER 172 Ca -0.17 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1jhe h SER 172 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1jhe h SER 172 CO 0.03 0.00 -0.34 -0.08 -1.14 0.00 0.00 176.83 175.30 1jhe h GLU 173 N 0.00 0.00 -6.32 3.45 4.57 -1.97 -3.45 114.58 110.86 1jhe h GLU 173 Ca 0.13 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.82 1jhe h GLU 173 Cb 1.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1jhe h GLU 173 CO -0.00 0.34 -0.31 -0.06 -1.18 0.00 0.00 179.01 177.79 1jhe s PHE 174 N -3.75 3.48 0.22 0.92 0.08 -0.09 -5.12 117.98 113.72 1jhe s PHE 174 Ca -0.01 0.23 0.07 0.00 0.12 0.00 0.00 56.93 57.34 1jhe s PHE 174 Cb 0.12 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1jhe s PHE 174 CO 0.68 0.30 0.10 0.15 -0.10 0.00 0.00 175.22 176.35 1jhe s LYS 175 N -3.90 2.66 0.53 0.44 1.02 -1.26 -4.91 119.74 114.32 1jhe s LYS 175 Ca 0.38 -1.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1jhe s LYS 175 Cb -0.10 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.70 1jhe s LYS 175 CO 0.32 0.42 1.01 -1.25 -0.92 0.00 0.00 175.35 174.92 1jhe s PRO 176 N -3.48 3.78 -0.15 -1.68 0.04 -1.26 -4.74 135.00 127.50 1jhe s PRO 176 Ca 0.31 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1jhe s PRO 176 Cb -0.08 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1jhe s PRO 176 CO 0.22 -0.42 0.06 0.42 0.04 0.00 0.00 177.00 177.32 1jhe s ILE 177 N -2.52 4.76 -0.10 0.56 1.01 -0.25 -4.94 121.20 119.73 1jhe s ILE 177 Ca 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 1jhe s ILE 177 Cb -0.12 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1jhe s ILE 177 CO 0.31 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 175.01 1jhe s VAL 178 N -0.07 3.69 -0.07 2.92 1.01 -1.26 -0.55 120.40 126.07 1jhe s VAL 178 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1jhe s VAL 178 Cb -0.12 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1jhe s VAL 178 CO 0.01 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.93 1jhe s VAL 179 N -0.35 0.72 -0.42 2.92 1.01 0.02 -5.00 120.40 119.31 1jhe s VAL 179 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1jhe s VAL 179 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1jhe s VAL 179 CO 0.02 0.29 0.45 -0.62 0.00 0.00 0.00 175.10 175.25 1jhe s ASP 180 N 1.29 6.21 0.31 3.32 -1.08 -1.26 -0.33 116.67 125.12 1jhe s ASP 180 Ca -0.04 -0.60 0.19 0.00 -0.52 0.00 0.00 52.55 51.58 1jhe s ASP 180 Cb -0.14 -2.23 1.03 0.00 -1.46 0.00 0.00 42.92 40.12 1jhe s ASP 180 CO -0.02 -0.58 1.55 0.18 0.52 0.00 0.00 175.17 176.82 1jhe n LEU 181 N 5.65 0.49 0.07 -1.34 4.77 0.42 -0.08 117.00 126.99 1jhe n LEU 181 Ca -0.07 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.67 1jhe n LEU 181 Cb 0.48 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1jhe n LEU 181 CO 0.46 -0.87 -0.08 0.03 -1.33 0.00 0.00 177.39 175.60 1jhe h ARG 182 N 0.00 0.00 0.14 3.23 3.08 -1.93 -3.36 114.38 115.54 1jhe h ARG 182 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1jhe h ARG 182 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1jhe h ARG 182 CO 0.00 0.19 -1.29 1.96 -1.07 0.00 0.00 179.97 179.76 1jhe h GLN 183 N 0.00 0.29 -3.41 0.04 1.08 -0.86 -3.49 115.11 108.76 1jhe h GLN 183 Ca -0.08 -0.50 -0.10 0.00 -1.45 0.00 0.00 58.65 56.52 1jhe h GLN 183 Cb 1.33 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.91 1jhe h GLN 183 CO 0.03 1.23 0.10 1.14 -0.95 0.00 0.00 178.83 180.37 1jhe s GLN 184 N -2.65 2.07 0.24 1.46 -2.07 -1.03 -5.07 119.66 112.61 1jhe s GLN 184 Ca -0.05 -1.51 -0.30 0.00 -1.82 0.00 0.00 55.36 51.69 1jhe s GLN 184 Cb 0.07 0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 32.46 1jhe s GLN 184 CO 0.89 -0.93 0.93 -1.12 -1.32 0.00 0.00 175.29 173.74 1jhe s SER 185 N -3.11 7.63 -0.13 12.60 0.01 -1.26 -4.65 113.70 124.79 1jhe s SER 185 Ca 0.20 1.93 -0.02 0.00 1.31 0.00 0.00 55.95 59.37 1jhe s SER 185 Cb -0.03 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1jhe s SER 185 CO 0.14 0.16 0.03 0.12 0.41 0.00 0.00 173.24 174.10 1jhe s PHE 186 N -1.18 0.69 -0.13 2.43 2.19 -1.26 -4.50 117.98 116.22 1jhe s PHE 186 Ca 0.41 -0.40 -0.02 0.00 0.33 0.00 0.00 56.93 57.25 1jhe s PHE 186 Cb -0.26 -0.84 -0.03 0.00 -1.31 0.00 0.00 43.02 40.58 1jhe s PHE 186 CO 0.32 -0.44 -0.05 0.99 1.83 0.00 0.00 175.22 177.86 1jhe s THR 187 N 1.97 3.79 -0.44 0.12 2.01 -0.70 -4.98 115.64 117.41 1jhe s THR 187 Ca 0.03 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1jhe s THR 187 Cb -0.14 -2.62 0.08 0.00 0.01 0.00 0.00 72.50 69.82 1jhe s THR 187 CO -0.07 0.53 0.31 -0.63 -0.69 0.00 0.00 174.62 174.07 1jhe s ILE 188 N 0.01 4.53 0.01 1.82 1.01 -1.26 0.36 121.20 127.68 1jhe s ILE 188 Ca -0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 1jhe s ILE 188 Cb -0.13 -3.77 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 1jhe s ILE 188 CO 0.03 -0.56 1.31 -0.33 0.00 0.00 0.00 174.94 175.39 1jhe h GLU 189 N 8.52 0.19 -2.10 2.79 4.39 -1.13 -3.40 114.58 123.85 1jhe h GLU 189 Ca -0.24 -0.10 0.37 0.00 0.34 0.00 0.00 59.36 59.73 1jhe h GLU 189 Cb 1.09 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.67 1jhe h GLU 189 CO 0.81 0.62 0.95 0.20 -1.16 0.00 0.00 179.01 180.43 1jhe s GLY 190 N -3.32 -0.15 -0.12 -3.84 0.00 -1.16 -3.42 107.32 95.30 1jhe s GLY 190 Ca -0.15 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 1jhe s GLY 190 CO 0.72 6.22 0.32 -2.27 0.00 0.00 0.00 173.10 178.08 1jhe s LEU 191 N -3.88 4.31 -0.08 0.66 2.96 -0.70 -1.46 118.68 120.49 1jhe s LEU 191 Ca 0.31 0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 54.54 1jhe s LEU 191 Cb -0.00 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 1jhe s LEU 191 CO -0.01 0.17 1.05 0.00 -1.32 0.00 0.00 176.35 176.23 1jhe s ALA 192 N 0.03 3.39 -0.02 5.97 0.00 -0.46 -1.47 121.76 129.20 1jhe s ALA 192 Ca 0.19 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1jhe s ALA 192 Cb -0.14 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1jhe s ALA 192 CO 0.06 -0.58 0.83 1.33 0.00 0.00 0.00 175.76 177.40 1jhe n VAL 193 N 4.46 0.62 0.00 0.00 0.24 -0.91 -4.76 118.33 117.97 1jhe n VAL 193 Ca 0.09 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1jhe n VAL 193 Cb 0.48 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1jhe n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhe n GLY 194 N -0.37 1.17 2.89 7.63 0.00 -1.24 -4.60 105.19 110.67 1jhe n GLY 194 Ca 0.02 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 1jhe n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhe s VAL 195 N -2.00 0.02 -0.07 1.61 1.01 -1.26 -0.26 120.40 119.46 1jhe s VAL 195 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1jhe s VAL 195 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.34 1jhe s VAL 195 CO 0.00 -0.09 -0.08 -0.63 0.00 0.00 0.00 175.10 174.30 1jhe s ILE 196 N -0.25 0.87 -0.18 2.22 1.01 0.18 -4.97 121.20 120.08 1jhe s ILE 196 Ca -0.03 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1jhe s ILE 196 Cb -0.02 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.63 1jhe s ILE 196 CO -0.00 0.31 -0.17 -0.60 0.00 0.00 0.00 174.94 174.48 1jhe s ARG 197 N 1.01 2.65 0.00 2.79 3.52 -1.26 -0.38 118.95 127.28 1jhe s ARG 197 Ca -0.09 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1jhe s ARG 197 Cb -0.15 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1jhe s ARG 197 CO -0.00 -0.28 0.02 0.27 -0.81 0.00 0.00 175.30 174.50