#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhh s GLU 125 N 0.00 1.72 0.26 0.54 0.41 -1.26 -5.02 118.70 115.34 1bhh s GLU 125 Ca 0.00 -0.39 0.21 0.00 -0.41 0.00 0.00 54.97 54.38 1bhh s GLU 125 Cb 0.00 -1.52 0.99 0.00 -1.78 0.00 0.00 34.13 31.83 1bhh s GLU 125 CO 0.00 -0.06 1.65 -0.35 -0.49 0.00 0.00 175.26 176.00 1bhh n PRO 126 N 4.17 0.16 -0.26 0.39 -0.04 -1.26 -2.45 135.00 135.70 1bhh n PRO 126 Ca -0.20 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1bhh n PRO 126 Cb 0.51 -1.87 0.24 0.00 -0.04 0.00 0.00 33.50 32.34 1bhh n PRO 126 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bhh n TRP 127 N -2.18 0.69 -3.97 0.54 4.27 -1.26 -4.63 117.44 110.90 1bhh n TRP 127 Ca 0.01 -0.44 -0.35 0.00 -3.89 0.00 0.00 57.50 52.83 1bhh n TRP 127 Cb 0.14 -0.01 -0.10 0.00 -1.36 0.00 0.00 31.31 29.98 1bhh n TRP 127 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1bhh s PHE 128 N -1.07 3.23 -0.05 -2.67 5.36 -1.03 -0.77 117.98 120.98 1bhh s PHE 128 Ca 0.37 0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.36 1bhh s PHE 128 Cb 0.20 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.75 1bhh s PHE 128 CO 0.26 0.09 -0.05 1.19 -1.46 0.00 0.00 175.22 175.25 1bhh n PHE 129 N 3.73 0.00 0.00 10.12 3.01 -0.71 -4.95 117.46 128.66 1bhh n PHE 129 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1bhh n PHE 129 Cb 0.52 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1bhh n PHE 129 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bhh n LYS 130 N -2.83 0.00 -1.29 -1.08 4.81 -1.25 -4.50 118.16 112.02 1bhh n LYS 130 Ca -0.09 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.13 1bhh n LYS 130 Cb 0.59 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.53 1bhh n LYS 130 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bhh n ASN 131 N 3.12 6.24 -4.28 3.14 3.02 -1.26 -1.45 115.26 123.79 1bhh n ASN 131 Ca 0.00 -2.81 -0.27 0.00 -0.03 0.00 0.00 54.58 51.47 1bhh n ASN 131 Cb 0.00 -1.36 -0.15 0.00 -0.61 0.00 0.00 39.78 37.67 1bhh n ASN 131 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bhh s LEU 132 N -0.95 2.15 0.26 3.41 2.96 -1.26 -5.09 118.68 120.16 1bhh s LEU 132 Ca 0.63 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 1bhh s LEU 132 Cb 0.32 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 1bhh s LEU 132 CO -0.10 0.21 0.37 -0.94 -1.32 0.00 0.00 176.35 174.57 1bhh s SER 133 N -1.10 6.17 0.20 3.68 1.04 -1.26 -4.73 113.70 117.70 1bhh s SER 133 Ca 0.09 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1bhh s SER 133 Cb -0.09 -1.68 0.23 0.00 0.10 0.00 0.00 66.02 64.58 1bhh s SER 133 CO 0.01 -0.15 1.74 -0.09 0.98 0.00 0.00 173.24 175.74 1bhh h ARG 134 N 1.14 0.36 -0.25 4.02 2.43 -1.99 0.60 114.38 120.69 1bhh h ARG 134 Ca -0.50 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 1bhh h ARG 134 Cb 1.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1bhh h ARG 134 CO 0.59 0.24 -0.20 0.87 -1.51 0.00 0.00 179.97 179.97 1bhh h LYS 135 N 0.37 0.45 -0.02 0.20 1.79 -2.00 -2.98 116.57 114.38 1bhh h LYS 135 Ca 0.28 -0.15 -0.20 0.00 -2.18 0.00 0.00 60.65 58.40 1bhh h LYS 135 Cb 0.33 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1bhh h LYS 135 CO -0.29 0.63 -0.84 -0.44 -1.08 0.00 0.00 179.45 177.44 1bhh h ASP 136 N 0.41 0.37 -0.89 0.86 3.32 -1.50 -1.36 116.42 117.63 1bhh h ASP 136 Ca 0.07 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1bhh h ASP 136 Cb 0.57 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1bhh h ASP 136 CO 0.04 1.05 0.58 0.00 -1.72 0.00 0.00 179.24 179.19 1bhh h ALA 137 N 0.93 1.15 -0.04 3.45 0.00 0.27 -1.40 119.26 123.62 1bhh h ALA 137 Ca -0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bhh h ALA 137 Cb 1.44 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bhh h ALA 137 CO 0.14 0.48 -0.24 0.93 0.00 0.00 0.00 179.25 180.56 1bhh h GLU 138 N 1.16 0.23 -0.77 0.00 5.08 -1.39 0.35 114.58 119.23 1bhh h GLU 138 Ca 0.34 -0.19 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1bhh h GLU 138 Cb -0.07 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.13 1bhh h GLU 138 CO -0.09 0.86 0.33 0.00 -1.00 0.00 0.00 179.01 179.10 1bhh h ARG 139 N -0.35 0.46 0.42 2.33 3.08 -1.15 0.22 114.38 119.38 1bhh h ARG 139 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1bhh h ARG 139 Cb 0.91 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1bhh h ARG 139 CO 0.05 0.30 -0.20 0.37 -1.07 0.00 0.00 179.97 179.42 1bhh h GLN 140 N 0.47 -0.54 -0.72 0.04 5.75 -1.22 -3.21 115.11 115.69 1bhh h GLN 140 Ca 0.43 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.98 1bhh h GLN 140 Cb 0.64 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 1bhh h GLN 140 CO -0.40 -0.24 0.47 -0.07 -2.65 0.00 0.00 178.83 175.95 1bhh h LEU 141 N -0.99 0.81 0.00 -2.39 3.38 0.10 -2.76 115.31 113.46 1bhh h LEU 141 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1bhh h LEU 141 Cb 0.55 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1bhh h LEU 141 CO 0.09 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.38 1bhh n LEU 142 N -4.43 0.00 -4.82 1.67 4.77 0.72 -4.69 117.00 110.22 1bhh n LEU 142 Ca 0.08 0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 56.13 1bhh n LEU 142 Cb 0.05 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1bhh n LEU 142 CO 0.36 -0.01 0.70 0.00 -1.33 0.00 0.00 177.39 177.10 1bhh s ALA 143 N -2.79 2.91 0.26 -1.18 0.00 -1.04 -4.98 121.76 114.94 1bhh s ALA 143 Ca 0.20 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1bhh s ALA 143 Cb 0.19 -3.19 -0.14 0.00 0.00 0.00 0.00 23.12 19.99 1bhh s ALA 143 CO 0.48 -0.42 1.26 -0.35 0.00 0.00 0.00 175.76 176.74 1bhh n PRO 144 N -1.53 1.77 0.00 0.00 -0.04 -1.26 -2.78 135.00 131.16 1bhh n PRO 144 Ca 0.08 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1bhh n PRO 144 Cb 0.53 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1bhh n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bhh n GLY 145 N 1.65 2.00 3.76 0.55 0.00 -1.26 -5.00 105.19 106.90 1bhh n GLY 145 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1bhh n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bhh s ASN 146 N -1.78 5.40 0.37 1.61 0.01 -1.12 -4.78 114.94 114.66 1bhh s ASN 146 Ca 0.00 -0.09 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 1bhh s ASN 146 Cb 0.00 -1.40 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 1bhh s ASN 146 CO 0.00 0.14 0.22 -0.89 -1.51 0.00 0.00 177.10 175.06 1bhh s THR 147 N -1.49 0.22 0.55 1.60 2.01 -1.26 -4.95 115.64 112.31 1bhh s THR 147 Ca 0.29 -2.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.10 1bhh s THR 147 Cb -0.11 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1bhh s THR 147 CO 0.22 0.00 1.12 -1.38 -0.69 0.00 0.00 174.62 173.88 1bhh s HIS 148 N -3.31 2.71 0.00 4.92 -3.43 -1.26 -2.19 115.29 112.73 1bhh s HIS 148 Ca 0.33 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 56.13 1bhh s HIS 148 Cb 0.02 -3.25 0.00 0.00 -1.43 0.00 0.00 32.58 27.92 1bhh s HIS 148 CO 0.22 -1.50 0.00 0.41 -2.00 0.00 0.00 174.74 171.88 1bhh n GLY 149 N 0.02 3.26 3.76 -1.38 0.00 0.72 -4.82 105.19 106.75 1bhh n GLY 149 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1bhh n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhh s SER 150 N -1.07 6.68 0.30 1.61 0.01 -0.93 0.51 113.70 120.81 1bhh s SER 150 Ca 0.00 2.72 -0.08 0.00 1.31 0.00 0.00 55.95 59.90 1bhh s SER 150 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1bhh s SER 150 CO 0.00 -0.64 0.49 0.72 0.41 0.00 0.00 173.24 174.22 1bhh s PHE 151 N -0.68 0.67 -0.04 2.43 -0.71 -0.75 -0.23 117.98 118.66 1bhh s PHE 151 Ca 0.53 -1.00 -0.29 0.00 -1.04 0.00 0.00 56.93 55.14 1bhh s PHE 151 Cb -0.41 0.11 0.10 0.00 -1.21 0.00 0.00 43.02 41.60 1bhh s PHE 151 CO 0.50 -1.10 0.81 -0.48 -1.34 0.00 0.00 175.22 173.62 1bhh s LEU 152 N -3.12 -0.49 -0.04 -1.99 0.05 -0.32 -1.95 118.68 110.83 1bhh s LEU 152 Ca 0.26 0.35 0.06 0.00 0.05 0.00 0.00 54.13 54.84 1bhh s LEU 152 Cb -0.01 2.22 -0.02 0.00 -2.05 0.00 0.00 46.19 46.33 1bhh s LEU 152 CO 0.14 -0.58 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.53 1bhh s ILE 153 N -1.99 2.55 0.15 1.48 1.01 0.05 -0.22 121.20 124.23 1bhh s ILE 153 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1bhh s ILE 153 Cb -0.01 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1bhh s ILE 153 CO -0.00 0.58 0.01 0.00 0.00 0.00 0.00 174.94 175.53 1bhh s ARG 154 N -0.64 1.03 -0.02 2.79 1.70 -0.30 -1.74 118.95 121.77 1bhh s ARG 154 Ca 0.10 -1.49 -0.20 0.00 -0.47 0.00 0.00 55.73 53.67 1bhh s ARG 154 Cb -0.11 -0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.08 1bhh s ARG 154 CO -0.00 -0.15 0.57 -2.00 -1.08 0.00 0.00 175.30 172.64 1bhh s GLU 155 N -3.94 4.29 0.05 3.89 2.12 -0.53 -2.16 118.70 122.43 1bhh s GLU 155 Ca 0.22 0.68 -0.31 0.00 0.36 0.00 0.00 54.97 55.93 1bhh s GLU 155 Cb 0.06 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1bhh s GLU 155 CO 0.02 0.36 1.32 -1.54 -0.54 0.00 0.00 175.26 174.89 1bhh s SER 156 N -0.15 6.93 0.39 -1.70 1.04 -0.71 -4.49 113.70 115.01 1bhh s SER 156 Ca 0.30 2.13 0.10 0.00 0.48 0.00 0.00 55.95 58.96 1bhh s SER 156 Cb -0.18 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.15 1bhh s SER 156 CO 0.16 -0.61 1.91 -0.33 0.98 0.00 0.00 173.24 175.35 1bhh h GLU 157 N 7.16 0.21 -0.02 4.02 5.08 -1.86 -2.63 114.58 126.54 1bhh h GLU 157 Ca -0.40 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1bhh h GLU 157 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1bhh h GLU 157 CO 0.86 0.37 -0.14 -1.13 -1.00 0.00 0.00 179.01 177.97 1bhh n SER 158 N -4.26 2.55 -3.12 1.42 3.41 -1.26 -4.65 113.62 107.71 1bhh n SER 158 Ca -0.01 -1.79 -0.20 0.00 -0.26 0.00 0.00 58.87 56.61 1bhh n SER 158 Cb 0.28 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1bhh n SER 158 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1bhh n THR 159 N 0.81 -0.63 -1.57 6.66 -1.04 -1.00 -5.12 114.28 112.39 1bhh n THR 159 Ca 0.13 -3.16 -0.50 0.00 -2.04 0.00 0.00 64.05 58.48 1bhh n THR 159 Cb 0.54 -1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.00 1bhh n THR 159 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bhh n ALA 160 N 1.91 -1.04 0.00 2.41 0.00 -1.18 -1.08 120.51 121.53 1bhh n ALA 160 Ca 0.21 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1bhh n ALA 160 Cb 0.54 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1bhh n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhh n GLY 161 N 2.16 1.37 3.57 0.00 0.00 -1.26 -5.04 105.19 105.99 1bhh n GLY 161 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1bhh n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bhh s SER 162 N -2.05 4.53 0.28 1.61 1.04 -0.24 -4.94 113.70 113.92 1bhh s SER 162 Ca 0.00 -0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1bhh s SER 162 Cb 0.00 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.00 1bhh s SER 162 CO 0.00 0.32 -0.05 -0.36 0.98 0.00 0.00 173.24 174.13 1bhh s PHE 163 N -0.89 1.94 0.01 5.02 0.40 -1.25 -1.74 117.98 121.46 1bhh s PHE 163 Ca 0.14 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1bhh s PHE 163 Cb -0.11 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 1bhh s PHE 163 CO 0.04 0.26 -0.05 -1.12 0.70 0.00 0.00 175.22 175.06 1bhh s SER 164 N -3.44 0.53 -0.22 1.36 0.01 -0.92 -0.23 113.70 110.79 1bhh s SER 164 Ca 0.30 -0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.31 1bhh s SER 164 Cb 0.04 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1bhh s SER 164 CO 0.12 -0.01 0.07 -0.22 0.41 0.00 0.00 173.24 173.61 1bhh s LEU 165 N -0.40 3.64 -0.10 2.44 2.96 0.64 -1.15 118.68 126.71 1bhh s LEU 165 Ca -0.01 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1bhh s LEU 165 Cb -0.03 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1bhh s LEU 165 CO -0.00 0.06 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.50 1bhh s SER 166 N 1.04 3.89 -0.01 3.68 0.01 0.69 -0.28 113.70 122.72 1bhh s SER 166 Ca 0.04 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1bhh s SER 166 Cb -0.14 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.71 1bhh s SER 166 CO 0.03 0.21 -0.05 0.54 0.41 0.00 0.00 173.24 174.38 1bhh s VAL 167 N 0.07 0.41 -0.12 3.43 0.11 0.81 -1.17 120.40 123.94 1bhh s VAL 167 Ca -0.06 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1bhh s VAL 167 Cb -0.15 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1bhh s VAL 167 CO 0.05 0.12 1.17 -0.60 -3.33 0.00 0.00 175.10 172.51 1bhh s ARG 168 N -0.04 4.32 0.03 1.54 3.52 0.68 -0.59 118.95 128.41 1bhh s ARG 168 Ca 0.01 1.59 0.05 0.00 -0.13 0.00 0.00 55.73 57.24 1bhh s ARG 168 Cb -0.03 -3.63 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1bhh s ARG 168 CO -0.00 -0.53 -0.13 0.34 -0.81 0.00 0.00 175.30 174.17 1bhh s ASP 169 N 1.53 1.59 -0.20 -2.12 2.15 0.14 -0.20 116.67 119.55 1bhh s ASP 169 Ca 0.53 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 53.11 1bhh s ASP 169 Cb -0.22 -0.11 0.03 0.00 -0.30 0.00 0.00 42.92 42.32 1bhh s ASP 169 CO 0.17 0.05 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.70 1bhh s PHE 170 N -0.74 2.76 0.55 -5.34 0.40 -1.26 0.14 117.98 114.49 1bhh s PHE 170 Ca 0.02 -1.74 0.06 0.00 -0.60 0.00 0.00 56.93 54.67 1bhh s PHE 170 Cb -0.07 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.66 1bhh s PHE 170 CO 0.01 -0.80 0.46 -0.51 0.70 0.00 0.00 175.22 175.08 1bhh s ASP 171 N 1.29 4.68 0.00 1.36 1.11 -1.21 -4.90 116.67 119.00 1bhh s ASP 171 Ca 0.01 -1.21 -0.20 0.00 0.18 0.00 0.00 52.55 51.33 1bhh s ASP 171 Cb -0.15 0.44 -0.06 0.00 1.07 0.00 0.00 42.92 44.23 1bhh s ASP 171 CO -0.10 -1.16 0.56 -1.10 1.18 0.00 0.00 175.17 174.56 1bhh s GLN 172 N -4.34 4.27 -1.27 8.23 1.11 -1.26 0.02 119.66 126.41 1bhh s GLN 172 Ca 0.37 0.68 -0.01 0.00 0.01 0.00 0.00 55.36 56.42 1bhh s GLN 172 Cb -0.03 -3.32 0.00 0.00 -1.01 0.00 0.00 33.01 28.65 1bhh s GLN 172 CO 0.23 0.43 0.10 -1.71 0.01 0.00 0.00 175.29 174.35 1bhh n ASN 173 N 2.55 -4.68 0.00 5.90 5.15 -1.26 -4.74 115.26 118.18 1bhh n ASN 173 Ca -0.08 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1bhh n ASN 173 Cb 0.51 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 36.01 1bhh n ASN 173 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bhh n GLN 174 N -2.62 0.00 0.00 1.20 10.64 -1.24 -5.19 117.38 120.17 1bhh n GLN 174 Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 1bhh n GLN 174 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.01 1bhh n GLN 174 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bhh n GLY 175 N -1.11 -1.35 1.22 2.61 0.00 0.10 -4.94 105.19 101.72 1bhh n GLY 175 Ca 0.00 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 1bhh n GLY 175 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bhh n GLU 176 N 0.00 0.00 -3.98 1.61 1.02 -1.26 -3.29 120.64 114.74 1bhh n GLU 176 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1bhh n GLU 176 Cb 0.00 -0.53 -0.15 0.00 -0.02 0.00 0.00 31.44 30.74 1bhh n GLU 176 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1bhh s VAL 177 N 1.72 0.21 -0.38 2.62 1.01 0.37 -4.94 120.40 121.00 1bhh s VAL 177 Ca 0.40 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 1bhh s VAL 177 Cb -0.53 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1bhh s VAL 177 CO 0.26 0.11 0.26 -0.69 0.00 0.00 0.00 175.10 175.04 1bhh s VAL 178 N 0.51 5.14 0.03 2.92 1.01 -1.26 0.23 120.40 128.98 1bhh s VAL 178 Ca -0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1bhh s VAL 178 Cb -0.08 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1bhh s VAL 178 CO -0.01 -0.19 0.43 -0.54 0.00 0.00 0.00 175.10 174.79 1bhh s LYS 179 N 1.67 3.91 -0.05 2.72 -0.14 0.24 -4.89 119.74 123.20 1bhh s LYS 179 Ca 0.05 0.39 0.05 0.00 -1.36 0.00 0.00 55.97 55.10 1bhh s LYS 179 Cb -0.18 -3.15 -0.00 0.00 -1.68 0.00 0.00 37.83 32.81 1bhh s LYS 179 CO 0.10 0.64 -0.19 -1.01 -0.76 0.00 0.00 175.35 174.13 1bhh s HIS 180 N -1.18 1.88 -0.04 3.18 3.76 -1.26 -0.13 115.29 121.50 1bhh s HIS 180 Ca 0.27 -0.55 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1bhh s HIS 180 Cb -0.16 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.27 1bhh s HIS 180 CO 0.15 -0.18 -0.13 0.71 -0.85 0.00 0.00 174.74 174.44 1bhh s TYR 181 N -0.01 1.37 -0.10 1.40 1.51 0.61 -4.98 117.35 117.15 1bhh s TYR 181 Ca -0.04 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1bhh s TYR 181 Cb -0.12 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1bhh s TYR 181 CO 0.03 -0.14 0.98 0.21 -1.11 0.00 0.00 175.55 175.51 1bhh s LYS 182 N 0.13 4.42 -0.18 -0.62 2.47 -1.26 -0.26 119.74 124.44 1bhh s LYS 182 Ca -0.04 1.34 -0.21 0.00 -1.56 0.00 0.00 55.97 55.49 1bhh s LYS 182 Cb -0.10 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 1bhh s LYS 182 CO 0.01 -0.29 0.65 0.42 0.16 0.00 0.00 175.35 176.31 1bhh s ILE 183 N 1.92 5.02 -0.04 5.43 1.01 0.67 -4.43 121.20 130.78 1bhh s ILE 183 Ca 0.47 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 62.36 1bhh s ILE 183 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1bhh s ILE 183 CO 0.18 0.13 0.06 -0.13 0.00 0.00 0.00 174.94 175.17 1bhh s ARG 184 N 1.74 3.04 0.14 2.79 0.52 0.16 -3.78 118.95 123.57 1bhh s ARG 184 Ca 0.31 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.78 1bhh s ARG 184 Cb -0.16 -2.85 -0.07 0.00 0.52 0.00 0.00 34.95 32.39 1bhh s ARG 184 CO 0.11 0.67 0.91 -0.80 0.02 0.00 0.00 175.30 176.21 1bhh s ASN 185 N -1.42 7.49 0.33 0.23 0.01 -1.26 -0.57 114.94 119.74 1bhh s ASN 185 Ca 0.19 1.77 -0.00 0.00 -0.71 0.00 0.00 52.86 54.11 1bhh s ASN 185 Cb -0.12 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1bhh s ASN 185 CO 0.09 0.04 0.54 -0.76 -1.51 0.00 0.00 177.10 175.50 1bhh s LEU 186 N -0.46 4.03 -1.13 0.60 1.43 -0.40 -4.94 118.68 117.82 1bhh s LEU 186 Ca 0.43 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1bhh s LEU 186 Cb -0.24 -3.33 0.23 0.00 0.03 0.00 0.00 46.19 42.88 1bhh s LEU 186 CO 0.29 -0.26 1.21 1.51 0.23 0.00 0.00 176.35 179.32 1bhh s ASP 187 N -3.86 7.18 0.00 2.29 -4.77 -1.26 -2.63 116.67 113.63 1bhh s ASP 187 Ca 0.40 -3.29 0.00 0.00 -3.30 0.00 0.00 52.55 46.37 1bhh s ASP 187 Cb -0.10 -2.28 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 1bhh s ASP 187 CO 0.35 -0.49 0.00 -0.46 0.70 0.00 0.00 175.17 175.27 1bhh n ASN 188 N 3.94 0.00 0.00 2.11 6.94 -1.26 -5.08 115.26 121.91 1bhh n ASN 188 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 1bhh n ASN 188 Cb 0.41 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1bhh n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bhh n GLY 189 N 0.00 -1.04 0.00 4.83 0.00 -1.08 -5.10 105.19 102.80 1bhh n GLY 189 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1bhh n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhh n GLY 190 N -0.74 2.66 3.36 -0.02 0.00 -1.26 -4.41 105.19 104.78 1bhh n GLY 190 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1bhh n GLY 190 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhh s PHE 191 N -2.34 0.49 -0.15 1.61 0.40 -0.50 -1.27 117.98 116.22 1bhh s PHE 191 Ca 0.00 -0.83 -0.30 0.00 -0.60 0.00 0.00 56.93 55.19 1bhh s PHE 191 Cb 0.00 -0.08 0.12 0.00 0.51 0.00 0.00 43.02 43.57 1bhh s PHE 191 CO 0.00 -0.75 0.98 1.52 0.70 0.00 0.00 175.22 177.66 1bhh s TYR 192 N -4.00 -0.38 -0.19 0.36 1.13 0.26 -1.92 117.35 112.61 1bhh s TYR 192 Ca 0.21 0.62 -0.05 0.00 -1.41 0.00 0.00 57.07 56.44 1bhh s TYR 192 Cb 0.03 0.45 -0.10 0.00 -1.10 0.00 0.00 41.96 41.24 1bhh s TYR 192 CO 0.03 -0.36 -0.21 -0.89 -2.51 0.00 0.00 175.55 171.60 1bhh n ILE 193 N 0.67 1.07 -4.24 -3.49 2.08 -1.26 0.38 119.36 114.57 1bhh n ILE 193 Ca -0.10 -0.33 -0.34 0.00 0.56 0.00 0.00 62.75 62.53 1bhh n ILE 193 Cb 0.58 -1.48 -0.14 0.00 -0.75 0.00 0.00 39.64 37.85 1bhh n ILE 193 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1bhh s SER 194 N -6.31 4.25 0.60 4.38 0.01 -1.26 -4.90 113.70 110.47 1bhh s SER 194 Ca -0.26 -0.34 0.28 0.00 1.31 0.00 0.00 55.95 56.94 1bhh s SER 194 Cb 0.09 -1.70 1.39 0.00 0.21 0.00 0.00 66.02 66.01 1bhh s SER 194 CO 0.38 0.06 1.80 -0.65 0.41 0.00 0.00 173.24 175.25 1bhh h PRO 195 N 7.49 0.00 -0.43 12.44 0.11 -2.00 -1.99 132.00 147.62 1bhh h PRO 195 Ca -0.35 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.88 1bhh h PRO 195 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1bhh h PRO 195 CO 0.59 0.00 0.34 0.07 -0.21 0.00 0.00 178.00 178.80 1bhh h ARG 196 N 0.00 0.00 -2.68 1.05 0.11 -2.02 -3.41 114.38 107.43 1bhh h ARG 196 Ca 0.24 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.20 1bhh h ARG 196 Cb 1.41 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 32.23 1bhh h ARG 196 CO -0.00 0.00 -0.29 -1.50 0.10 0.00 0.00 179.97 178.28 1bhh s ILE 197 N -4.90 -0.02 0.38 0.08 2.07 -0.75 -5.17 121.20 112.90 1bhh s ILE 197 Ca -0.05 0.07 0.08 0.00 -1.41 0.00 0.00 60.65 59.34 1bhh s ILE 197 Cb 0.18 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 1bhh s ILE 197 CO 0.67 0.03 0.24 0.42 -1.91 0.00 0.00 174.94 174.40 1bhh s THR 198 N 1.12 2.86 -0.05 4.00 -4.23 -1.26 -4.58 115.64 113.49 1bhh s THR 198 Ca -0.07 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1bhh s THR 198 Cb -0.07 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1bhh s THR 198 CO -0.09 -0.09 0.12 -0.36 -0.54 0.00 0.00 174.62 173.65 1bhh s PHE 199 N -2.45 -0.12 0.50 3.99 0.08 -0.81 -5.01 117.98 114.16 1bhh s PHE 199 Ca 0.42 0.34 0.21 0.00 0.12 0.00 0.00 56.93 58.02 1bhh s PHE 199 Cb -0.02 -0.01 1.27 0.00 -0.57 0.00 0.00 43.02 43.69 1bhh s PHE 199 CO 0.25 -0.09 1.99 -1.35 -0.10 0.00 0.00 175.22 175.92 1bhh h PRO 200 N 6.38 0.13 -3.41 0.24 0.11 -1.93 -1.33 132.00 132.19 1bhh h PRO 200 Ca -0.31 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 1bhh h PRO 200 Cb 1.18 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1bhh h PRO 200 CO 0.44 0.09 0.07 0.20 -0.21 0.00 0.00 178.00 178.59 1bhh s GLY 201 N -3.95 0.60 0.40 -0.55 0.00 -1.26 -4.08 107.32 98.48 1bhh s GLY 201 Ca -0.06 -0.89 0.10 0.00 0.00 0.00 0.00 44.72 43.86 1bhh s GLY 201 CO 0.73 -0.51 1.95 1.41 0.00 0.00 0.00 173.10 176.69 1bhh h LEU 202 N 2.08 0.24 -0.02 0.66 3.38 -1.98 -2.12 115.31 117.55 1bhh h LEU 202 Ca -0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1bhh h LEU 202 Cb 1.25 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1bhh h LEU 202 CO 0.36 0.35 0.01 0.45 0.09 0.00 0.00 178.44 179.71 1bhh h HIS 203 N 0.26 0.03 -0.22 1.13 -0.00 -1.98 -0.68 115.15 113.69 1bhh h HIS 203 Ca 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.31 1bhh h HIS 203 Cb 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1bhh h HIS 203 CO 0.00 0.04 -0.35 0.93 -0.00 0.00 0.00 177.93 178.56 1bhh h GLU 204 N 0.00 0.46 -0.28 2.45 3.07 -1.89 -1.49 114.58 116.90 1bhh h GLU 204 Ca 0.01 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1bhh h GLU 204 Cb 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1bhh h GLU 204 CO -0.00 0.75 0.13 1.25 -1.40 0.00 0.00 179.01 179.73 1bhh h LEU 205 N 0.39 0.38 -1.06 1.33 6.46 -1.17 -1.20 115.31 120.44 1bhh h LEU 205 Ca 0.04 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.59 1bhh h LEU 205 Cb 0.79 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1bhh h LEU 205 CO 0.06 0.41 -0.21 0.58 -0.62 0.00 0.00 178.44 178.66 1bhh h VAL 206 N 0.32 1.25 -0.39 1.05 2.07 -0.82 -2.23 116.25 117.49 1bhh h VAL 206 Ca 0.10 -1.14 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 1bhh h VAL 206 Cb 0.14 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1bhh h VAL 206 CO -0.01 0.36 -0.34 0.03 0.02 0.00 0.00 177.57 177.63 1bhh h ARG 207 N 0.38 0.90 -0.30 1.57 3.08 -1.10 -2.24 114.38 116.67 1bhh h ARG 207 Ca 0.06 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1bhh h ARG 207 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1bhh h ARG 207 CO 0.04 1.10 0.06 1.25 -1.07 0.00 0.00 179.97 181.34 1bhh h HIS 208 N 0.75 0.53 0.00 3.04 2.76 -1.05 -3.05 115.15 118.13 1bhh h HIS 208 Ca 0.07 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1bhh h HIS 208 Cb 0.91 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1bhh h HIS 208 CO 0.06 0.58 -0.31 1.88 -1.30 0.00 0.00 177.93 178.83 1bhh h TYR 209 N 0.32 0.00 -0.16 5.26 0.05 -1.35 -2.27 116.97 118.83 1bhh h TYR 209 Ca 0.09 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.69 1bhh h TYR 209 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1bhh h TYR 209 CO 0.02 0.31 -0.66 1.15 -1.05 0.00 0.00 178.16 177.93 1bhh h THR 210 N 0.00 1.32 -0.00 -2.88 2.02 -1.46 -2.04 112.91 109.87 1bhh h THR 210 Ca -0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1bhh h THR 210 Cb 1.02 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1bhh h THR 210 CO 0.04 0.60 -0.29 0.59 0.37 0.00 0.00 175.52 176.83 1bhh n ASN 211 N -3.92 0.44 -3.64 4.18 3.02 -1.15 -4.45 115.26 109.74 1bhh n ASN 211 Ca -0.05 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.25 1bhh n ASN 211 Cb 0.67 0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 1bhh n ASN 211 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bhh s ALA 212 N -2.86 -2.07 0.11 5.41 0.00 -0.86 -5.05 121.76 116.44 1bhh s ALA 212 Ca 0.16 2.15 -0.15 0.00 0.00 0.00 0.00 51.96 54.12 1bhh s ALA 212 Cb 0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 1bhh s ALA 212 CO 0.60 -0.32 1.53 0.66 0.00 0.00 0.00 175.76 178.23 1bhh h SER 213 N 5.67 0.66 -6.85 0.00 4.64 -1.84 -3.34 113.55 112.49 1bhh h SER 213 Ca -0.29 -0.34 -0.57 0.00 -0.47 0.00 0.00 61.79 60.12 1bhh h SER 213 Cb 1.19 -0.18 -0.17 0.00 -0.31 0.00 0.00 62.40 62.94 1bhh h SER 213 CO 0.15 0.85 -0.92 -0.67 -0.87 0.00 0.00 176.83 175.37 1bhh n ASP 214 N -4.44 -0.08 0.00 4.97 2.03 -1.26 -0.04 116.55 117.74 1bhh n ASP 214 Ca -0.02 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.14 1bhh n ASP 214 Cb 0.31 -2.23 0.00 0.00 -0.72 0.00 0.00 41.12 38.48 1bhh n ASP 214 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhh n GLY 215 N -2.15 2.08 3.80 0.27 0.00 -1.26 -5.05 105.19 102.89 1bhh n GLY 215 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1bhh n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhh s LEU 216 N 0.00 4.21 0.50 0.99 1.43 0.95 -4.91 118.68 121.84 1bhh s LEU 216 Ca 0.00 1.66 0.34 0.00 -1.03 0.00 0.00 54.13 55.10 1bhh s LEU 216 Cb 0.00 -4.08 1.46 0.00 0.03 0.00 0.00 46.19 43.61 1bhh s LEU 216 CO 0.00 -0.14 1.73 0.00 0.23 0.00 0.00 176.35 178.17 1bhh s THR 218 N -5.11 0.00 0.31 0.00 -1.32 -1.26 -5.08 115.64 103.19 1bhh s THR 218 Ca -0.06 -0.35 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 1bhh s THR 218 Cb 0.25 -1.64 -0.10 0.00 -1.51 0.00 0.00 72.50 69.51 1bhh s THR 218 CO 0.82 0.00 1.28 -0.13 -2.21 0.00 0.00 174.62 174.38 1bhh s ARG 219 N -3.02 4.40 0.05 7.08 0.52 -1.26 -4.70 118.95 122.02 1bhh s ARG 219 Ca 0.10 2.15 -0.31 0.00 -0.52 0.00 0.00 55.73 57.15 1bhh s ARG 219 Cb -0.00 -3.10 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 1bhh s ARG 219 CO -0.02 -0.13 1.35 -0.51 0.02 0.00 0.00 175.30 176.00 1bhh s LEU 220 N -1.62 4.35 0.00 2.53 1.43 -0.77 -4.51 118.68 120.09 1bhh s LEU 220 Ca 0.49 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1bhh s LEU 220 Cb -0.38 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1bhh s LEU 220 CO 0.50 -0.64 0.00 -1.54 0.23 0.00 0.00 176.35 174.90 1bhh n SER 221 N 4.56 0.00 -4.94 2.29 3.41 0.18 -4.25 113.62 114.87 1bhh n SER 221 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.49 1bhh n SER 221 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1bhh n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1bhh s ARG 222 N 2.06 3.12 0.61 4.33 0.52 -1.25 -4.87 118.95 123.46 1bhh s ARG 222 Ca 0.00 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1bhh s ARG 222 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1bhh s ARG 222 CO 0.00 -0.31 1.03 -2.14 0.02 0.00 0.00 175.30 173.90 1bhh s PRO 223 N -4.63 3.55 0.21 3.54 0.02 -1.26 -1.81 135.00 134.62 1bhh s PRO 223 Ca 0.49 0.86 -0.32 0.00 0.02 0.00 0.00 61.00 62.05 1bhh s PRO 223 Cb -0.10 -2.07 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 1bhh s PRO 223 CO 0.40 -0.60 1.42 0.00 -0.33 0.00 0.00 177.00 177.89 1bhh s GLN 225 N -0.12 4.56 0.00 0.00 -1.52 -1.26 -4.97 119.66 116.35 1bhh s GLN 225 Ca 0.71 1.56 0.16 0.00 -1.95 0.00 0.00 55.36 55.84 1bhh s GLN 225 Cb -0.68 -3.39 0.13 0.00 -0.22 0.00 0.00 33.01 28.85 1bhh s GLN 225 CO 0.47 -0.03 1.01 0.25 -0.25 0.00 0.00 175.29 176.74