#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3her n GLY 126 N 0.00 0.00 0.03 -0.72 0.00 -1.26 -5.11 105.19 98.14 3her n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3her n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3her n GLY 127 N 0.00 -0.89 3.16 -0.02 0.00 -1.26 -4.92 105.19 101.27 3her n GLY 127 Ca 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3her n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3her s TYR 128 N -0.44 0.95 0.01 1.61 1.51 -1.26 -4.42 117.35 115.31 3her s TYR 128 Ca 0.00 -0.75 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 3her s TYR 128 Cb 0.00 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 3her s TYR 128 CO 0.00 -0.07 -0.21 0.08 -1.11 0.00 0.00 175.55 174.24 3her s VAL 129 N -2.84 1.67 -0.32 0.71 1.01 -0.18 -4.90 120.40 115.55 3her s VAL 129 Ca 0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3her s VAL 129 Cb -0.00 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.98 3her s VAL 129 CO -0.02 0.35 1.08 -0.22 0.00 0.00 0.00 175.10 176.29 3her s LEU 130 N -0.81 3.93 0.97 3.92 2.96 -1.26 -1.43 118.68 126.96 3her s LEU 130 Ca 0.08 1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 54.91 3her s LEU 130 Cb -0.08 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.23 3her s LEU 130 CO 0.00 -0.89 1.12 -0.83 -1.32 0.00 0.00 176.35 174.44 3her s GLY 131 N 1.68 1.57 0.58 7.98 0.00 0.22 -4.99 107.32 114.36 3her s GLY 131 Ca 0.46 -0.51 -0.17 0.00 0.00 0.00 0.00 44.72 44.50 3her s GLY 131 CO 0.16 0.09 1.07 -0.56 0.00 0.00 0.00 173.10 173.86 3her s SER 132 N -3.82 5.75 0.52 1.64 0.01 -1.26 -4.56 113.70 111.97 3her s SER 132 Ca 0.65 1.90 -0.21 0.00 1.31 0.00 0.00 55.95 59.60 3her s SER 132 Cb -0.16 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 3her s SER 132 CO 0.55 -1.19 0.95 0.00 0.41 0.00 0.00 173.24 173.96 3her n ALA 133 N -1.85 0.09 -2.31 1.44 0.00 -1.26 -4.71 120.51 111.91 3her n ALA 133 Ca 0.09 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 3her n ALA 133 Cb 0.52 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 3her n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3her s MET 134 N -2.35 1.40 0.36 0.00 0.23 -0.24 -5.00 119.30 113.70 3her s MET 134 Ca 0.69 -1.76 -0.26 0.00 -1.03 0.00 0.00 55.69 53.33 3her s MET 134 Cb -0.48 -0.23 -0.09 0.00 -1.53 0.00 0.00 34.83 32.50 3her s MET 134 CO 0.52 -0.30 1.09 -1.54 -2.03 0.00 0.00 175.02 172.76 3her s SER 135 N -3.30 6.87 0.12 -1.18 1.04 -1.26 -4.84 113.70 111.15 3her s SER 135 Ca 0.38 2.18 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 3her s SER 135 Cb 0.08 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 3her s SER 135 CO 0.14 -0.42 1.07 -0.13 0.98 0.00 0.00 173.24 174.88 3her s ARG 136 N -2.11 4.59 0.64 4.02 0.52 -1.26 -5.00 118.95 120.35 3her s ARG 136 Ca 0.53 1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 57.22 3her s ARG 136 Cb -0.27 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3her s ARG 136 CO 0.34 0.05 1.08 -1.25 0.02 0.00 0.00 175.30 175.54 3her s PRO 137 N 0.09 3.01 -0.28 3.54 0.04 -1.26 -5.01 135.00 135.13 3her s PRO 137 Ca 0.50 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 3her s PRO 137 Cb -0.27 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3her s PRO 137 CO 0.32 -1.07 0.49 0.42 0.04 0.00 0.00 177.00 177.20 3her s ILE 138 N -2.46 5.08 -0.05 0.56 1.01 -1.26 -5.03 121.20 119.04 3her s ILE 138 Ca 0.65 0.70 -0.07 0.00 0.00 0.00 0.00 60.65 61.93 3her s ILE 138 Cb -0.18 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3her s ILE 138 CO 0.41 0.03 0.21 -0.63 0.00 0.00 0.00 174.94 174.97 3her s ILE 139 N 2.29 5.39 -0.04 2.92 -1.09 -1.26 -5.09 121.20 124.31 3her s ILE 139 Ca 0.19 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.87 3her s ILE 139 Cb -0.16 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 3her s ILE 139 CO 0.10 0.49 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.11 3her s HIS 140 N -1.16 2.56 0.08 3.97 3.76 -1.26 -4.88 115.29 118.36 3her s HIS 140 Ca 0.22 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 3her s HIS 140 Cb -0.13 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 3her s HIS 140 CO 0.11 0.06 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.79 3her s PHE 141 N -0.60 1.84 -0.07 1.40 0.08 -1.26 -5.04 117.98 114.33 3her s PHE 141 Ca 0.09 -0.40 0.17 0.00 0.12 0.00 0.00 56.93 56.91 3her s PHE 141 Cb -0.11 -1.04 0.29 0.00 -0.57 0.00 0.00 43.02 41.60 3her s PHE 141 CO 0.00 0.18 1.55 0.78 -0.10 0.00 0.00 175.22 177.63 3her h GLY 142 N 4.33 0.00 -4.69 4.36 0.00 -1.99 -3.42 103.07 101.66 3her h GLY 142 Ca -0.45 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 3her h GLY 142 CO 0.41 0.00 0.60 -0.45 0.00 0.00 0.00 176.54 177.09 3her s SER 143 N -6.41 7.17 0.34 0.19 0.15 -1.26 -4.95 113.70 108.92 3her s SER 143 Ca 0.03 1.71 0.05 0.00 0.70 0.00 0.00 55.95 58.43 3her s SER 143 Cb 0.08 -2.56 0.62 0.00 -1.71 0.00 0.00 66.02 62.45 3her s SER 143 CO 0.72 -0.48 1.88 0.44 1.20 0.00 0.00 173.24 177.00 3her h ASP 144 N 7.18 0.48 0.15 5.45 3.32 -2.00 -1.06 116.42 129.93 3her h ASP 144 Ca -0.34 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3her h ASP 144 Cb 1.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3her h ASP 144 CO 0.85 0.55 -0.07 0.22 -1.72 0.00 0.00 179.24 179.06 3her h TYR 145 N 0.49 -0.18 -0.33 4.55 3.20 -1.96 -2.40 116.97 120.34 3her h TYR 145 Ca 0.11 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3her h TYR 145 Cb 0.32 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3her h TYR 145 CO 0.01 0.02 -0.28 0.93 -1.64 0.00 0.00 178.16 177.20 3her h GLU 146 N -0.35 0.68 -0.64 1.82 5.08 -1.90 -0.18 114.58 119.08 3her h GLU 146 Ca -0.02 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3her h GLU 146 Cb 0.28 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3her h GLU 146 CO 0.03 0.88 0.42 0.22 -1.00 0.00 0.00 179.01 179.56 3her h ASP 147 N 0.58 0.75 0.19 1.42 -0.00 -1.16 -1.43 116.42 116.77 3her h ASP 147 Ca 0.07 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.03 56.86 3her h ASP 147 Cb 0.77 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 3her h ASP 147 CO 0.06 0.55 -0.85 -0.09 -0.00 0.00 0.00 179.24 178.92 3her h ARG 148 N 0.87 0.50 -0.42 0.28 2.43 -1.15 -2.92 114.38 113.98 3her h ARG 148 Ca 0.23 -0.47 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3her h ARG 148 Cb -0.08 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3her h ARG 148 CO -0.05 1.11 0.20 -0.92 -1.51 0.00 0.00 179.97 178.80 3her h TYR 149 N 0.32 0.38 -0.22 2.20 3.20 -0.68 -0.59 116.97 121.58 3her h TYR 149 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3her h TYR 149 Cb 1.46 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 3her h TYR 149 CO 0.06 0.19 0.14 -0.92 -1.64 0.00 0.00 178.16 175.99 3her h TYR 150 N 0.41 0.27 -0.79 -3.82 3.20 -1.27 -0.62 116.97 114.36 3her h TYR 150 Ca 0.18 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3her h TYR 150 Cb 0.10 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3her h TYR 150 CO -0.11 0.18 0.44 0.00 -1.64 0.00 0.00 178.16 177.03 3her h ARG 151 N 0.28 0.71 0.00 1.82 3.08 -1.18 -0.45 114.38 118.65 3her h ARG 151 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3her h ARG 151 Cb -0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3her h ARG 151 CO -0.02 0.47 -0.12 0.93 -1.07 0.00 0.00 179.97 180.17 3her h GLU 152 N 0.74 0.00 0.00 0.04 5.08 -0.64 -3.37 114.58 116.43 3her h GLU 152 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3her h GLU 152 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3her h GLU 152 CO -0.25 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 177.97 3her n ASN 153 N -3.15 1.26 0.24 1.42 3.02 -0.28 -4.75 115.26 113.02 3her n ASN 153 Ca 0.03 -1.37 0.09 0.00 -0.03 0.00 0.00 54.58 53.29 3her n ASN 153 Cb 0.52 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.29 3her n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3her h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -1.27 -2.00 114.93 115.18 3her h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3her h MET 154 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 3her h MET 154 CO 0.00 0.16 0.00 -2.39 -0.00 0.00 0.00 176.91 174.68 3her n HIS 155 N -3.99 0.01 1.09 -0.10 1.44 -1.26 -2.05 115.22 110.35 3her n HIS 155 Ca -0.02 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 3her n HIS 155 Cb 0.25 -0.51 0.13 0.00 0.12 0.00 0.00 29.99 29.98 3her n HIS 155 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3her n ARG 156 N -1.51 1.21 -3.10 -1.40 1.74 -0.75 -4.93 116.66 107.91 3her n ARG 156 Ca 0.02 -0.93 -0.22 0.00 -0.77 0.00 0.00 57.85 55.95 3her n ARG 156 Cb 0.08 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3her n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3her s TYR 157 N -2.43 3.16 0.82 -1.55 1.51 -0.87 -5.06 117.35 112.92 3her s TYR 157 Ca 0.21 0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 56.25 3her s TYR 157 Cb 0.19 -2.25 0.08 0.00 -0.11 0.00 0.00 41.96 39.87 3her s TYR 157 CO 0.53 -0.30 1.10 -1.25 -1.11 0.00 0.00 175.55 174.52 3her s PRO 158 N -4.46 1.87 -0.16 -1.71 0.04 -1.26 -4.95 135.00 124.37 3her s PRO 158 Ca 0.48 1.16 0.15 0.00 0.04 0.00 0.00 61.00 62.83 3her s PRO 158 Cb -0.10 -1.85 0.35 0.00 0.04 0.00 0.00 34.50 32.93 3her s PRO 158 CO 0.36 -1.91 1.18 0.27 0.04 0.00 0.00 177.00 176.94 3her n ASN 159 N -3.70 1.91 -3.94 6.66 0.23 -1.26 -4.99 115.26 110.16 3her n ASN 159 Ca 0.09 -3.39 -0.09 0.00 -0.53 0.00 0.00 54.58 50.66 3her n ASN 159 Cb 0.53 -0.46 -0.10 0.00 -2.08 0.00 0.00 39.78 37.67 3her n ASN 159 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3her s GLN 160 N -2.82 0.53 0.11 -3.83 -0.21 -1.26 -1.07 119.66 111.10 3her s GLN 160 Ca 0.34 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 55.06 3her s GLN 160 Cb 0.32 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 34.50 3her s GLN 160 CO -0.03 -0.12 -0.14 0.14 -2.12 0.00 0.00 175.29 173.02 3her s VAL 161 N -2.34 1.27 0.02 1.09 -7.23 -1.26 -4.96 120.40 107.00 3her s VAL 161 Ca -0.07 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 3her s VAL 161 Cb -0.03 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.43 3her s VAL 161 CO -0.03 -0.37 0.48 -0.31 -0.31 0.00 0.00 175.10 174.56 3her s TYR 162 N -1.92 3.74 0.09 2.82 1.51 -1.26 -0.61 117.35 121.71 3her s TYR 162 Ca 0.06 1.10 -0.08 0.00 -1.01 0.00 0.00 57.07 57.15 3her s TYR 162 Cb -0.06 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 3her s TYR 162 CO 0.03 0.58 0.17 1.52 -1.11 0.00 0.00 175.55 176.74 3her s TYR 163 N -0.95 0.20 -0.18 2.71 -0.85 -0.51 -4.35 117.35 113.42 3her s TYR 163 Ca 0.26 -0.64 -0.25 0.00 -0.52 0.00 0.00 57.07 55.92 3her s TYR 163 Cb -0.18 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 3her s TYR 163 CO 0.15 -0.53 0.81 0.50 -1.52 0.00 0.00 175.55 174.97 3her s ARG 164 N -3.87 4.28 0.54 -3.49 3.52 -1.26 -1.01 118.95 117.65 3her s ARG 164 Ca 0.05 0.97 -0.21 0.00 -0.13 0.00 0.00 55.73 56.41 3her s ARG 164 Cb 0.05 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 3her s ARG 164 CO -0.11 -0.34 1.11 -2.30 -0.81 0.00 0.00 175.30 172.86 3her n PRO 165 N 5.28 1.30 -2.43 5.12 -0.02 -1.26 -4.87 135.00 138.12 3her n PRO 165 Ca 0.04 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3her n PRO 165 Cb 0.49 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3her n PRO 165 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3her s MET 166 N -2.61 4.44 0.00 -0.52 -1.94 -1.26 -4.97 119.30 112.45 3her s MET 166 Ca 0.71 1.77 0.00 0.00 -1.71 0.00 0.00 55.69 56.46 3her s MET 166 Cb -0.45 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.05 3her s MET 166 CO 0.50 -0.23 0.00 -0.40 -0.01 0.00 0.00 175.02 174.88 3her n ASP 167 N 3.79 0.00 0.29 3.03 5.68 -1.26 -5.03 116.55 123.06 3her n ASP 167 Ca 0.08 -0.14 0.18 0.00 -0.50 0.00 0.00 54.79 54.42 3her n ASP 167 Cb 0.46 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.28 3her n ASP 167 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3her h GLU 168 N 0.00 0.00 -0.01 0.11 3.07 -2.05 -1.65 114.58 114.05 3her h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3her h GLU 168 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3her h GLU 168 CO 0.00 0.02 -0.27 0.66 -1.40 0.00 0.00 179.01 178.02 3her n TYR 169 N -3.14 0.00 -2.76 4.33 4.02 -1.26 -4.91 117.16 113.44 3her n TYR 169 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3her n TYR 169 Cb 0.24 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 3her n TYR 169 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3her s SER 170 N -2.55 7.61 0.24 7.72 0.01 -0.62 -4.99 113.70 121.11 3her s SER 170 Ca 0.23 1.91 -0.04 0.00 1.31 0.00 0.00 55.95 59.36 3her s SER 170 Cb 0.19 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 3her s SER 170 CO 0.54 0.13 0.30 0.54 0.41 0.00 0.00 173.24 175.15 3her s ASN 171 N -0.98 0.30 0.36 2.44 2.20 -1.26 -4.90 114.94 113.10 3her s ASN 171 Ca 0.42 -1.29 0.04 0.00 -0.94 0.00 0.00 52.86 51.09 3her s ASN 171 Cb -0.25 0.50 0.69 0.00 -2.00 0.00 0.00 41.25 40.18 3her s ASN 171 CO 0.31 -1.01 1.99 -0.61 -2.94 0.00 0.00 177.10 174.84 3her h GLN 172 N 2.40 0.70 0.38 3.55 4.15 -1.98 0.12 115.11 124.42 3her h GLN 172 Ca -0.31 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.03 3her h GLN 172 Cb 1.25 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3her h GLN 172 CO 0.44 0.50 -0.18 -0.97 -1.93 0.00 0.00 178.83 176.69 3her h ASN 173 N 0.71 -0.43 1.27 -0.69 -1.24 -2.00 -2.52 115.58 110.67 3her h ASN 173 Ca 0.19 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 57.03 3her h ASN 173 Cb -0.00 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 3her h ASN 173 CO -0.03 -0.17 -0.39 -0.55 -1.29 0.00 0.00 177.43 175.00 3her h ASN 174 N -0.70 0.00 -0.08 1.15 7.08 -1.89 -1.81 115.58 119.34 3her h ASN 174 Ca -0.05 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.16 3her h ASN 174 Cb 0.49 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.73 3her h ASN 174 CO 0.09 0.39 0.02 0.15 -2.08 0.00 0.00 177.43 176.00 3her h PHE 175 N 0.00 0.12 -0.30 4.14 3.57 -0.79 -0.21 116.94 123.48 3her h PHE 175 Ca -0.00 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 3her h PHE 175 Cb 1.13 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 3her h PHE 175 CO 0.00 0.29 -0.53 0.28 -2.23 0.00 0.00 178.31 176.12 3her h VAL 176 N -0.08 1.27 -0.21 1.41 2.07 -1.44 -0.83 116.25 118.44 3her h VAL 176 Ca 0.02 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.88 3her h VAL 176 Cb 0.23 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3her h VAL 176 CO -0.00 0.56 -0.12 -0.74 0.02 0.00 0.00 177.57 177.29 3her h HIS 177 N 0.68 -0.28 -0.43 1.57 -0.00 -1.27 -0.12 115.15 115.30 3her h HIS 177 Ca 0.02 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 3her h HIS 177 Cb 1.14 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 3her h HIS 177 CO 0.07 -0.18 0.01 -0.44 -0.00 0.00 0.00 177.93 177.39 3her h ASP 178 N -0.10 0.73 -0.40 3.26 3.32 -0.88 -2.13 116.42 120.22 3her h ASP 178 Ca 0.12 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3her h ASP 178 Cb 0.28 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3her h ASP 178 CO -0.28 0.85 0.25 0.00 -1.72 0.00 0.00 179.24 178.35 3her h VAL 180 N 0.53 1.26 0.05 0.00 2.07 -0.90 -0.84 116.25 118.43 3her h VAL 180 Ca 0.15 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3her h VAL 180 Cb -0.01 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3her h VAL 180 CO -0.03 0.34 -0.03 0.78 0.02 0.00 0.00 177.57 178.65 3her h ASN 181 N 0.57 -0.06 0.05 0.57 2.35 -1.20 -1.73 115.58 116.13 3her h ASN 181 Ca 0.12 -0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 3her h ASN 181 Cb 0.46 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3her h ASN 181 CO 0.02 0.05 -0.79 -0.29 -1.65 0.00 0.00 177.43 174.77 3her h ILE 182 N -0.17 1.32 -0.34 2.81 6.09 -1.18 -2.36 117.51 123.70 3her h ILE 182 Ca -0.01 -2.09 0.00 0.00 -1.37 0.00 0.00 64.86 61.40 3her h ILE 182 Cb 0.15 2.08 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 3her h ILE 182 CO 0.01 0.64 0.22 0.74 -3.07 0.00 0.00 178.15 176.70 3her h THR 183 N 0.41 1.08 -0.21 2.19 2.02 -1.15 0.27 112.91 117.52 3her h THR 183 Ca -0.05 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3her h THR 183 Cb 1.40 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3her h THR 183 CO 0.15 0.08 0.13 0.40 0.37 0.00 0.00 175.52 176.66 3her h ILE 184 N 0.45 1.07 -0.32 3.11 2.04 -1.29 -1.34 117.51 121.21 3her h ILE 184 Ca 0.12 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3her h ILE 184 Cb -0.05 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3her h ILE 184 CO -0.03 0.06 0.01 0.11 0.00 0.00 0.00 178.15 178.30 3her h LYS 185 N 0.27 0.10 -0.22 2.37 1.57 -1.29 -2.43 116.57 116.94 3her h LYS 185 Ca 0.08 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3her h LYS 185 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3her h LYS 185 CO -0.02 0.07 -0.13 1.96 -0.57 0.00 0.00 179.45 180.77 3her h GLN 186 N 0.10 0.35 -0.04 3.15 1.08 -0.80 -2.19 115.11 116.77 3her h GLN 186 Ca 0.15 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 3her h GLN 186 Cb 0.20 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3her h GLN 186 CO -0.25 0.49 -0.54 1.25 -0.95 0.00 0.00 178.83 178.82 3her h HIS 187 N 0.33 0.16 -0.35 2.96 2.76 -0.91 0.18 115.15 120.28 3her h HIS 187 Ca 0.07 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 3her h HIS 187 Cb 0.43 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3her h HIS 187 CO 0.01 0.64 0.15 1.15 -1.30 0.00 0.00 177.93 178.58 3her h THR 188 N 0.10 1.18 -0.45 6.26 2.02 -0.96 -0.14 112.91 120.92 3her h THR 188 Ca -0.00 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 3her h THR 188 Cb 0.99 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3her h THR 188 CO 0.08 0.20 0.14 -0.37 0.37 0.00 0.00 175.52 175.94 3her h VAL 189 N 0.42 1.22 -0.51 3.16 -1.51 -1.09 -2.85 116.25 115.09 3her h VAL 189 Ca 0.12 -0.73 -0.11 0.00 -1.23 0.00 0.00 66.70 64.75 3her h VAL 189 Cb 0.17 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 30.16 3her h VAL 189 CO -0.01 0.26 -0.13 0.74 -1.23 0.00 0.00 177.57 177.20 3her h THR 190 N 0.59 1.27 0.00 7.19 2.02 -0.58 -2.05 112.91 121.35 3her h THR 190 Ca 0.15 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3her h THR 190 Cb 0.26 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3her h THR 190 CO -0.01 0.45 0.00 1.07 0.37 0.00 0.00 175.52 177.40 3her n THR 191 N -4.14 0.17 0.00 3.16 5.66 -0.07 -5.09 114.28 113.98 3her n THR 191 Ca 0.01 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 3her n THR 191 Cb 0.41 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 3her n THR 191 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3her n THR 192 N -1.18 0.00 0.00 1.09 -1.04 -0.78 -5.06 114.28 107.31 3her n THR 192 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3her n THR 192 Cb 0.15 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 3her n THR 192 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3her n SER 198 N 0.12 0.00 -4.82 8.00 2.88 -1.26 -4.54 113.62 114.00 3her n SER 198 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3her n SER 198 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 3her n SER 198 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3her s THR 199 N 0.00 3.61 0.30 2.46 -4.23 -1.26 -4.84 115.64 111.67 3her s THR 199 Ca 0.00 0.52 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 3her s THR 199 Cb 0.00 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.82 3her s THR 199 CO 0.00 -0.68 1.84 -0.08 -0.54 0.00 0.00 174.62 175.16 3her h GLU 200 N -0.84 0.89 -0.30 3.99 4.81 -2.06 -0.98 114.58 120.09 3her h GLU 200 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 3her h GLU 200 Cb 1.24 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3her h GLU 200 CO 0.59 0.59 0.13 1.15 -0.73 0.00 0.00 179.01 180.74 3her h THR 201 N 0.92 1.18 -0.40 0.32 2.02 -2.00 -2.25 112.91 112.70 3her h THR 201 Ca 0.49 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 3her h THR 201 Cb 0.55 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3her h THR 201 CO -0.26 0.18 -0.07 0.44 0.37 0.00 0.00 175.52 176.19 3her h ASP 202 N 0.35 0.65 -0.09 4.18 3.45 -1.66 -1.79 116.42 121.51 3her h ASP 202 Ca 0.10 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 3her h ASP 202 Cb 0.17 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3her h ASP 202 CO -0.01 0.77 0.05 0.58 -1.57 0.00 0.00 179.24 179.05 3her h VAL 203 N 0.63 1.10 -0.35 -1.35 2.07 -1.06 0.23 116.25 117.52 3her h VAL 203 Ca 0.12 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3her h VAL 203 Cb 0.49 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3her h VAL 203 CO 0.03 0.08 0.08 0.50 0.02 0.00 0.00 177.57 178.28 3her h LYS 204 N 0.04 0.20 -0.10 1.57 3.64 -1.27 -1.92 116.57 118.73 3her h LYS 204 Ca 0.03 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 3her h LYS 204 Cb 0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3her h LYS 204 CO -0.00 0.13 -0.66 0.52 -2.27 0.00 0.00 179.45 177.18 3her h MET 205 N 0.21 0.39 -0.37 1.90 2.86 -1.16 -2.89 114.93 115.87 3her h MET 205 Ca 0.16 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3her h MET 205 Cb 0.17 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3her h MET 205 CO -0.20 0.91 0.21 1.98 1.06 0.00 0.00 176.91 180.87 3her h MET 206 N 0.28 0.42 -0.43 1.72 1.85 -0.71 -1.52 114.93 116.54 3her h MET 206 Ca -0.02 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 3her h MET 206 Cb 1.20 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.12 3her h MET 206 CO 0.11 0.28 0.06 1.49 -0.40 0.00 0.00 176.91 178.45 3her h GLU 207 N 0.43 0.66 -0.21 0.39 4.81 -1.21 -1.30 114.58 118.15 3her h GLU 207 Ca 0.15 -0.14 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 3her h GLU 207 Cb 0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3her h GLU 207 CO -0.07 0.64 -0.59 0.00 -0.73 0.00 0.00 179.01 178.26 3her h ARG 208 N 0.63 0.77 -0.22 1.92 3.08 -1.27 -1.88 114.38 117.41 3her h ARG 208 Ca 0.14 -0.55 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 3her h ARG 208 Cb 0.31 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3her h ARG 208 CO 0.01 1.17 -0.46 -0.24 -1.07 0.00 0.00 179.97 179.38 3her h VAL 209 N 0.51 1.31 -0.54 2.04 3.04 -1.05 -2.53 116.25 119.03 3her h VAL 209 Ca -0.01 -1.66 -0.05 0.00 -1.01 0.00 0.00 66.70 63.97 3her h VAL 209 Cb 1.21 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.10 3her h VAL 209 CO 0.13 0.52 0.15 0.58 -1.01 0.00 0.00 177.57 177.94 3her h VAL 210 N 0.46 1.24 -0.37 1.51 2.07 -1.23 -0.45 116.25 119.48 3her h VAL 210 Ca 0.03 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3her h VAL 210 Cb 0.98 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3her h VAL 210 CO 0.09 0.31 0.22 -0.08 0.02 0.00 0.00 177.57 178.13 3her h GLU 211 N 0.76 0.44 -0.69 1.57 4.81 -1.19 0.32 114.58 120.60 3her h GLU 211 Ca 0.17 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3her h GLU 211 Cb 0.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3her h GLU 211 CO -0.00 0.29 0.22 1.96 -0.73 0.00 0.00 179.01 180.75 3her h GLN 212 N 0.46 1.05 -0.20 1.92 4.20 -1.09 -2.10 115.11 119.36 3her h GLN 212 Ca 0.14 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3her h GLN 212 Cb -0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3her h GLN 212 CO -0.06 0.89 -0.23 0.52 -0.67 0.00 0.00 178.83 179.29 3her h MET 213 N 1.02 0.35 -0.19 1.46 2.86 -0.73 -2.43 114.93 117.28 3her h MET 213 Ca 0.23 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3her h MET 213 Cb 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3her h MET 213 CO -0.01 0.57 -0.40 0.00 1.06 0.00 0.00 176.91 178.12 3her h ILE 215 N 0.36 1.22 -0.62 0.00 2.04 -1.20 0.80 117.51 120.10 3her h ILE 215 Ca 0.03 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3her h ILE 215 Cb 0.87 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3her h ILE 215 CO 0.07 0.23 0.33 0.74 0.00 0.00 0.00 178.15 179.52 3her h THR 216 N 0.18 0.95 -0.57 -0.27 2.02 -1.08 -1.93 112.91 112.21 3her h THR 216 Ca 0.07 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3her h THR 216 Cb 0.30 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3her h THR 216 CO 0.00 0.11 0.21 -0.61 0.37 0.00 0.00 175.52 175.61 3her h GLN 217 N 0.62 0.83 -0.70 6.66 5.75 -0.16 -0.57 115.11 127.54 3her h GLN 217 Ca 0.28 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3her h GLN 217 Cb 0.19 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 3her h GLN 217 CO -0.19 0.70 0.35 -0.92 -2.65 0.00 0.00 178.83 176.12 3her h TYR 218 N 0.82 0.99 -0.70 3.99 3.20 -0.31 0.12 116.97 125.09 3her h TYR 218 Ca 0.19 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3her h TYR 218 Cb 0.19 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3her h TYR 218 CO 0.01 0.73 0.23 0.93 -1.64 0.00 0.00 178.16 178.41 3her h GLU 219 N 0.97 1.07 -0.21 1.82 5.08 -0.58 0.12 114.58 122.84 3her h GLU 219 Ca 0.24 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3her h GLU 219 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3her h GLU 219 CO -0.03 0.91 0.07 0.00 -1.00 0.00 0.00 179.01 178.96 3her h ARG 220 N 1.03 0.32 -0.00 2.33 3.08 -0.63 -1.48 114.38 119.03 3her h ARG 220 Ca 0.23 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.05 3her h ARG 220 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3her h ARG 220 CO -0.01 0.40 -0.79 0.93 -1.07 0.00 0.00 179.97 179.43 3her h GLU 221 N 0.17 0.01 0.01 0.04 4.39 -0.40 -3.19 114.58 115.61 3her h GLU 221 Ca 0.07 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 3her h GLU 221 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3her h GLU 221 CO -0.00 0.80 -1.39 0.66 -1.16 0.00 0.00 179.01 177.91 3her h SER 222 N 0.01 0.04 -0.09 1.42 4.64 -0.80 -2.16 113.55 116.61 3her h SER 222 Ca -0.01 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3her h SER 222 Cb 1.40 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 3her h SER 222 CO 0.10 1.05 0.03 0.00 -0.87 0.00 0.00 176.83 177.14 3her n GLN 223 N -3.22 1.34 0.00 4.77 6.02 -0.56 -2.75 117.38 122.99 3her n GLN 223 Ca -0.10 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 3her n GLN 223 Cb 1.00 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.85 3her n GLN 223 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3her n ALA 224 N 0.17 0.21 -0.06 -1.58 0.00 -1.18 -4.94 120.51 113.12 3her n ALA 224 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 3her n ALA 224 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3her n ALA 224 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3her h TYR 225 N 0.00 0.00 0.00 0.00 3.20 -1.20 -3.51 116.97 115.47 3her h TYR 225 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3her h TYR 225 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3her h TYR 225 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18