#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2t s PHE 150 N 0.00 2.95 0.59 5.64 0.40 -1.26 -1.13 117.98 125.17 1t2t s PHE 150 Ca 0.00 0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.28 1t2t s PHE 150 Cb 0.00 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 1t2t s PHE 150 CO 0.00 0.38 0.92 0.00 0.70 0.00 0.00 175.22 177.22 1t2t h LYS 152 N -0.18 0.38 0.00 0.00 2.10 -1.91 0.89 116.57 117.86 1t2t h LYS 152 Ca -0.46 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1t2t h LYS 152 Cb 1.24 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1t2t h LYS 152 CO 0.61 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 178.32 1t2t n GLY 154 N 0.41 1.78 3.77 0.00 0.00 0.31 -5.10 105.19 106.36 1t2t n GLY 154 Ca 0.03 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1t2t n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t2t s VAL 155 N -0.87 3.17 -0.10 1.61 -7.23 -1.26 -4.42 120.40 111.30 1t2t s VAL 155 Ca 0.00 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 60.52 1t2t s VAL 155 Cb 0.00 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 1t2t s VAL 155 CO 0.00 -0.24 0.97 0.00 -0.31 0.00 0.00 175.10 175.52 1t2t s ARG 156 N -3.65 4.43 0.38 4.82 1.70 -1.26 0.41 118.95 125.78 1t2t s ARG 156 Ca 0.70 1.33 0.08 0.00 -0.47 0.00 0.00 55.73 57.38 1t2t s ARG 156 Cb -0.23 -3.53 -0.07 0.00 -0.57 0.00 0.00 34.95 30.55 1t2t s ARG 156 CO 0.34 -0.27 -0.03 0.96 -1.08 0.00 0.00 175.30 175.22 1t2t s ILE 157 N 1.86 2.15 0.34 4.99 -4.36 -0.28 -4.90 121.20 121.00 1t2t s ILE 157 Ca 0.47 -2.07 -0.28 0.00 -0.26 0.00 0.00 60.65 58.51 1t2t s ILE 157 Cb -0.18 -2.84 -0.10 0.00 1.25 0.00 0.00 42.46 40.58 1t2t s ILE 157 CO 0.19 -0.09 1.29 0.00 0.24 0.00 0.00 174.94 176.56 1t2t s GLN 158 N -3.68 4.32 0.47 0.37 -2.07 -1.26 -3.66 119.66 114.15 1t2t s GLN 158 Ca 0.34 2.17 0.28 0.00 -1.82 0.00 0.00 55.36 56.34 1t2t s GLN 158 Cb 0.06 -3.03 1.35 0.00 -1.09 0.00 0.00 33.01 30.30 1t2t s GLN 158 CO 0.18 -0.20 1.76 1.79 -1.32 0.00 0.00 175.29 177.50 1t2t h THR 159 N 2.95 0.40 0.00 3.63 1.35 -2.00 0.39 112.91 119.64 1t2t h THR 159 Ca -0.49 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.28 1t2t h THR 159 Cb 1.23 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1t2t h THR 159 CO 0.65 0.03 -0.16 0.77 -0.25 0.00 0.00 175.52 176.57 1t2t h SER 160 N 0.18 0.00 -3.10 5.36 4.64 -2.02 -3.45 113.55 115.16 1t2t h SER 160 Ca 0.63 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.41 1t2t h SER 160 Cb 2.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1t2t h SER 160 CO -0.19 0.16 0.66 0.00 -0.87 0.00 0.00 176.83 176.58 1t2t s ALA 161 N -3.20 3.47 -0.29 5.18 0.00 0.14 -4.92 121.76 122.14 1t2t s ALA 161 Ca 0.05 0.83 0.27 0.00 0.00 0.00 0.00 51.96 53.12 1t2t s ALA 161 Cb 0.06 -3.50 0.83 0.00 0.00 0.00 0.00 23.12 20.52 1t2t s ALA 161 CO 0.68 -0.61 1.78 -0.92 0.00 0.00 0.00 175.76 176.68 1t2t h TYR 162 N 7.14 0.00 -1.99 0.00 3.20 -1.88 -3.45 116.97 119.99 1t2t h TYR 162 Ca -0.39 0.00 0.17 0.00 3.14 0.00 0.00 58.73 61.64 1t2t h TYR 162 Cb 1.20 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.30 1t2t h TYR 162 CO 0.70 0.00 0.61 0.99 -1.64 0.00 0.00 178.16 178.81 1t2t s THR 163 N -3.37 0.00 0.92 1.81 2.01 -1.26 -4.91 115.64 110.83 1t2t s THR 163 Ca 0.05 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 1t2t s THR 163 Cb 0.08 -1.06 0.14 0.00 0.01 0.00 0.00 72.50 71.67 1t2t s THR 163 CO 0.59 0.00 1.09 0.00 -0.69 0.00 0.00 174.62 175.61 1t2t h SER 165 N -1.66 0.00 0.89 0.00 4.64 -2.00 -2.45 113.55 112.97 1t2t h SER 165 Ca -0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 1t2t h SER 165 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1t2t h SER 165 CO 0.53 0.16 -0.58 0.50 -0.87 0.00 0.00 176.83 176.57 1t2t h LYS 166 N 0.00 0.00 0.00 4.77 1.63 -2.05 -3.24 116.57 117.68 1t2t h LYS 166 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1t2t h LYS 166 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1t2t h LYS 166 CO 0.02 0.58 -1.05 0.00 -3.45 0.00 0.00 179.45 175.55 1t2t n ARG 168 N -2.07 1.27 -2.90 0.00 0.63 -0.97 -4.92 116.66 107.70 1t2t n ARG 168 Ca 0.01 0.47 -0.41 0.00 -0.92 0.00 0.00 57.85 57.00 1t2t n ARG 168 Cb 0.46 -2.17 -0.04 0.00 0.45 0.00 0.00 32.46 31.16 1t2t n ARG 168 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1t2t s ASN 169 N 3.60 7.12 -0.06 6.15 3.84 -1.26 -4.91 114.94 129.43 1t2t s ASN 169 Ca 0.98 1.36 0.08 0.00 0.21 0.00 0.00 52.86 55.49 1t2t s ASN 169 Cb -1.03 -2.47 0.12 0.00 -0.55 0.00 0.00 41.25 37.32 1t2t s ASN 169 CO 0.64 -0.21 1.01 0.54 -2.79 0.00 0.00 177.10 176.29 1t2t n ARG 170 N 4.02 1.08 -3.82 0.43 1.74 -1.26 -4.59 116.66 114.25 1t2t n ARG 170 Ca 0.02 -1.70 -0.33 0.00 -0.77 0.00 0.00 57.85 55.07 1t2t n ARG 170 Cb 0.51 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.89 1t2t n ARG 170 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1t2t s SER 171 N -1.68 6.43 1.01 0.55 0.01 -1.26 -3.47 113.70 115.29 1t2t s SER 171 Ca 0.14 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1t2t s SER 171 Cb 0.12 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1t2t s SER 171 CO 0.01 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1t2t n GLY 172 N 0.82 2.90 0.15 3.44 0.00 -1.26 -1.36 105.19 109.88 1t2t n GLY 172 Ca -0.09 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1t2t n GLY 172 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1t2t n GLU 173 N 14.00 0.10 0.06 1.61 0.28 -1.26 -1.43 120.64 134.00 1t2t n GLU 173 Ca 0.00 0.57 0.13 0.00 -0.16 0.00 0.00 57.16 57.70 1t2t n GLU 173 Cb 0.00 -1.99 0.33 0.00 1.43 0.00 0.00 31.44 31.21 1t2t n GLU 173 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1t2t n ASN 174 N -2.05 0.63 -4.75 -1.84 3.02 -0.46 -4.87 115.26 104.93 1t2t n ASN 174 Ca -0.01 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.44 1t2t n ASN 174 Cb 0.19 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1t2t n ASN 174 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1t2t s ASN 175 N -4.04 7.05 0.06 6.41 3.84 -0.51 -4.46 114.94 123.28 1t2t s ASN 175 Ca 0.09 2.39 0.10 0.00 0.21 0.00 0.00 52.86 55.65 1t2t s ASN 175 Cb 0.14 -2.63 0.44 0.00 -0.55 0.00 0.00 41.25 38.66 1t2t s ASN 175 CO 0.65 -0.35 1.30 -1.20 -2.79 0.00 0.00 177.10 174.71 1t2t n SER 176 N 1.58 0.13 -0.09 -4.21 7.64 -1.26 -1.60 113.62 115.80 1t2t n SER 176 Ca 0.01 0.55 0.08 0.00 1.01 0.00 0.00 58.87 60.51 1t2t n SER 176 Cb 0.44 -0.57 0.11 0.00 -1.01 0.00 0.00 64.21 63.18 1t2t n SER 176 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t2t n PHE 177 N -1.65 0.04 -2.06 1.43 7.35 -1.26 -5.01 117.46 116.28 1t2t n PHE 177 Ca 0.01 -0.88 -0.40 0.00 -0.76 0.00 0.00 57.45 55.43 1t2t n PHE 177 Cb 0.08 -0.13 -0.01 0.00 0.35 0.00 0.00 39.48 39.77 1t2t n PHE 177 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1t2t s PHE 178 N -2.43 2.89 0.00 -5.13 5.36 -0.63 -2.80 117.98 115.25 1t2t s PHE 178 Ca 0.25 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1t2t s PHE 178 Cb 0.22 -3.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.20 1t2t s PHE 178 CO 0.03 -2.05 0.00 0.09 -1.46 0.00 0.00 175.22 171.83 1t2t n ASN 179 N 0.41 -3.96 -4.92 6.13 5.03 -1.26 -4.98 115.26 111.70 1t2t n ASN 179 Ca 0.02 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.21 1t2t n ASN 179 Cb 0.43 -2.61 0.03 0.00 -1.02 0.00 0.00 39.78 36.60 1t2t n ASN 179 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1t2t s HIS 180 N -1.33 3.22 0.08 3.10 3.76 -1.12 -5.10 115.29 117.90 1t2t s HIS 180 Ca 0.00 0.56 0.08 0.00 -0.15 0.00 0.00 55.06 55.55 1t2t s HIS 180 Cb 0.00 -2.72 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1t2t s HIS 180 CO 0.00 -0.81 -0.21 0.15 -0.85 0.00 0.00 174.74 173.03 1t2t s LYS 181 N -4.95 1.20 0.20 1.40 -0.14 -1.26 -5.14 119.74 111.06 1t2t s LYS 181 Ca 0.54 -1.09 -0.12 0.00 -1.36 0.00 0.00 55.97 53.94 1t2t s LYS 181 Cb -0.10 -1.41 -0.07 0.00 -1.68 0.00 0.00 37.83 34.56 1t2t s LYS 181 CO 0.44 0.34 0.56 -1.01 -0.76 0.00 0.00 175.35 174.92 1t2t s HIS 182 N -1.05 3.49 0.73 3.18 3.76 -1.26 -5.08 115.29 119.07 1t2t s HIS 182 Ca 0.07 0.97 -0.12 0.00 -0.15 0.00 0.00 55.06 55.83 1t2t s HIS 182 Cb -0.10 -2.32 0.03 0.00 1.11 0.00 0.00 32.58 31.30 1t2t s HIS 182 CO 0.03 0.32 1.11 -1.54 -0.85 0.00 0.00 174.74 173.81 1t2t s SER 183 N -2.10 5.20 0.52 1.40 1.04 -1.26 -4.86 113.70 113.64 1t2t s SER 183 Ca 0.44 1.11 0.26 0.00 0.48 0.00 0.00 55.95 58.24 1t2t s SER 183 Cb -0.13 -1.86 1.43 0.00 0.10 0.00 0.00 66.02 65.57 1t2t s SER 183 CO 0.20 -1.50 2.08 0.44 0.98 0.00 0.00 173.24 175.44 1t2t h ASP 184 N -0.76 0.00 0.45 7.02 5.19 -1.98 0.32 116.42 126.65 1t2t h ASP 184 Ca -0.45 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 1t2t h ASP 184 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1t2t h ASP 184 CO 0.64 0.12 -0.21 0.40 -3.12 0.00 0.00 179.24 177.06 1t2t h ILE 185 N 0.00 0.04 -0.78 0.35 2.04 -1.99 -1.31 117.51 115.86 1t2t h ILE 185 Ca -0.00 -0.57 0.14 0.00 1.00 0.00 0.00 64.86 65.43 1t2t h ILE 185 Cb 0.30 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.35 1t2t h ILE 185 CO 0.02 0.01 0.35 0.74 0.00 0.00 0.00 178.15 179.26 1t2t h THR 186 N -1.15 0.70 -0.28 -0.27 2.02 -1.87 0.22 112.91 112.29 1t2t h THR 186 Ca -0.06 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1t2t h THR 186 Cb 0.47 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1t2t h THR 186 CO 0.10 0.09 0.10 0.11 0.37 0.00 0.00 175.52 176.29 1t2t h LYS 187 N 0.52 0.22 -0.88 6.66 1.57 -0.97 -1.35 116.57 122.34 1t2t h LYS 187 Ca 0.42 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1t2t h LYS 187 Cb 0.61 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1t2t h LYS 187 CO -0.37 0.15 0.58 1.03 -0.57 0.00 0.00 179.45 180.26 1t2t h SER 188 N 0.23 1.01 0.89 0.86 0.87 0.30 -0.53 113.55 117.17 1t2t h SER 188 Ca 0.12 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1t2t h SER 188 Cb 0.09 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1t2t h SER 188 CO -0.13 0.73 -0.48 0.11 -0.53 0.00 0.00 176.83 176.54 1t2t h LYS 189 N 1.19 -1.22 -0.64 2.24 1.57 -0.08 -1.74 116.57 117.89 1t2t h LYS 189 Ca 0.32 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 59.31 1t2t h LYS 189 Cb -0.13 0.28 -0.12 0.00 0.08 0.00 0.00 32.23 32.34 1t2t h LYS 189 CO -0.07 -0.81 -0.12 0.82 -0.57 0.00 0.00 179.45 178.70 1t2t h ILE 190 N -1.26 0.39 -0.44 1.86 2.04 -1.15 -1.49 117.51 117.46 1t2t h ILE 190 Ca -0.12 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1t2t h ILE 190 Cb 0.99 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1t2t h ILE 190 CO 0.16 0.00 -0.40 -1.28 0.00 0.00 0.00 178.15 176.64 1t2t h SER 191 N 0.02 -1.33 -0.64 1.72 0.87 -0.77 -2.00 113.55 111.41 1t2t h SER 191 Ca 0.31 0.22 0.05 0.00 -1.23 0.00 0.00 61.79 61.14 1t2t h SER 191 Cb 0.49 0.60 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 1t2t h SER 191 CO -0.63 -0.35 0.43 -0.33 -0.53 0.00 0.00 176.83 175.42 1t2t h GLU 192 N -0.29 0.66 0.00 2.24 4.39 -0.37 -1.98 114.58 119.23 1t2t h GLU 192 Ca 0.16 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1t2t h GLU 192 Cb 0.57 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1t2t h GLU 192 CO -0.59 0.44 -0.15 1.63 -1.16 0.00 0.00 179.01 179.18 1t2t n LYS 193 N -4.47 0.08 0.01 2.33 5.02 -0.82 -3.35 118.16 116.96 1t2t n LYS 193 Ca 0.09 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1t2t n LYS 193 Cb 0.20 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1t2t n LYS 193 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1t2t n MET 194 N -1.70 0.34 -1.96 1.97 2.81 -0.78 -4.89 117.12 112.90 1t2t n MET 194 Ca 0.06 -0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 1t2t n MET 194 Cb 0.37 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1t2t n MET 194 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t2t s LYS 195 N -3.25 4.23 0.00 0.03 1.02 -0.96 -2.74 119.74 118.07 1t2t s LYS 195 Ca 0.01 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.35 1t2t s LYS 195 Cb 0.14 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1t2t s LYS 195 CO 0.85 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1t2t n GLY 196 N 2.70 1.81 3.92 -3.33 0.00 -1.26 -5.05 105.19 103.98 1t2t n GLY 196 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1t2t n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2t s LYS 197 N -0.87 2.40 -0.04 1.61 1.02 -1.11 -5.10 119.74 117.66 1t2t s LYS 197 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 55.97 55.88 1t2t s LYS 197 Cb 0.00 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1t2t s LYS 197 CO 0.00 -1.10 -0.16 0.15 -0.92 0.00 0.00 175.35 173.31 1t2t s LYS 198 N -5.20 1.75 0.98 1.68 1.02 -1.26 -5.13 119.74 113.58 1t2t s LYS 198 Ca 0.58 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 1t2t s LYS 198 Cb -0.11 -1.51 0.18 0.00 -0.52 0.00 0.00 37.83 35.87 1t2t s LYS 198 CO 0.45 0.22 1.08 -1.25 -0.92 0.00 0.00 175.35 174.93 1t2t s PRO 199 N 0.10 0.55 0.11 -1.68 0.04 -1.26 -4.92 135.00 127.95 1t2t s PRO 199 Ca -0.05 0.96 0.27 0.00 0.04 0.00 0.00 61.00 62.22 1t2t s PRO 199 Cb -0.12 -1.72 1.00 0.00 0.04 0.00 0.00 34.50 33.71 1t2t s PRO 199 CO 0.02 -2.76 1.83 -1.13 0.04 0.00 0.00 177.00 175.00 1t2t n SER 200 N -4.26 0.43 -2.07 6.66 3.41 -1.26 -3.85 113.62 112.68 1t2t n SER 200 Ca 0.07 0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 58.98 1t2t n SER 200 Cb 0.54 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.93 1t2t n SER 200 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1t2t n ASN 201 N -1.90 5.78 -4.79 4.04 6.94 -1.26 -4.96 115.26 119.11 1t2t n ASN 201 Ca 0.06 -3.38 -0.26 0.00 -0.02 0.00 0.00 54.58 50.98 1t2t n ASN 201 Cb 0.38 -0.92 0.09 0.00 -2.36 0.00 0.00 39.78 36.97 1t2t n ASN 201 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1t2t s ILE 202 N -3.26 2.24 -0.06 1.53 -4.36 -1.25 -5.09 121.20 110.94 1t2t s ILE 202 Ca 0.48 -0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.54 1t2t s ILE 202 Cb 0.38 -2.93 0.03 0.00 1.25 0.00 0.00 42.46 41.19 1t2t s ILE 202 CO 0.03 0.00 0.03 -0.54 0.24 0.00 0.00 174.94 174.70 1t2t s LYS 203 N -5.29 0.28 0.43 0.37 1.02 -1.26 -5.06 119.74 110.23 1t2t s LYS 203 Ca 0.63 0.21 -0.25 0.00 0.02 0.00 0.00 55.97 56.57 1t2t s LYS 203 Cb -0.09 -0.83 -0.08 0.00 -0.52 0.00 0.00 37.83 36.31 1t2t s LYS 203 CO 0.45 -0.34 1.30 0.15 -0.92 0.00 0.00 175.35 176.00 1t2t s LYS 204 N 2.06 3.82 0.08 1.68 1.02 -1.21 -3.51 119.74 123.68 1t2t s LYS 204 Ca 0.05 2.14 0.02 0.00 0.02 0.00 0.00 55.97 58.20 1t2t s LYS 204 Cb -0.12 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1t2t s LYS 204 CO -0.04 -0.61 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.20 1t2t s ILE 205 N -1.30 0.70 -0.18 2.17 2.07 -0.69 -0.31 121.20 123.67 1t2t s ILE 205 Ca 0.60 -1.64 -0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1t2t s ILE 205 Cb -0.37 -1.33 0.04 0.00 0.13 0.00 0.00 42.46 40.93 1t2t s ILE 205 CO 0.47 -0.68 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.22 1t2t s SER 206 N -2.53 2.99 -0.82 4.50 0.15 -0.52 -0.80 113.70 116.68 1t2t s SER 206 Ca 0.05 -0.74 -0.18 0.00 0.70 0.00 0.00 55.95 55.78 1t2t s SER 206 Cb -0.01 -0.96 0.15 0.00 -1.71 0.00 0.00 66.02 63.49 1t2t s SER 206 CO -0.02 -0.19 0.93 0.00 1.20 0.00 0.00 173.24 175.15 1t2t n ASP 208 N 5.83 -1.97 0.00 0.00 4.64 -0.15 -1.40 116.55 123.50 1t2t n ASP 208 Ca 0.13 -1.08 0.00 0.00 -1.38 0.00 0.00 54.79 52.46 1t2t n ASP 208 Cb 0.47 -1.71 0.00 0.00 -1.04 0.00 0.00 41.12 38.84 1t2t n ASP 208 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1t2t n GLY 209 N -1.06 3.54 3.64 0.27 0.00 -1.26 -5.07 105.19 105.25 1t2t n GLY 209 Ca 0.10 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1t2t n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t2t s VAL 210 N 0.00 4.25 0.08 1.61 1.01 -0.49 -5.00 120.40 121.86 1t2t s VAL 210 Ca 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.40 1t2t s VAL 210 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1t2t s VAL 210 CO 0.00 -0.42 0.26 0.27 0.00 0.00 0.00 175.10 175.21 1t2t s ILE 211 N 4.06 5.32 0.09 2.22 -4.36 -1.26 0.47 121.20 127.74 1t2t s ILE 211 Ca 0.53 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1t2t s ILE 211 Cb -0.16 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1t2t s ILE 211 CO 0.20 0.12 -0.07 -0.36 0.24 0.00 0.00 174.94 175.07 1t2t s PHE 212 N -1.54 0.91 0.34 1.37 0.40 0.02 -4.98 117.98 114.50 1t2t s PHE 212 Ca 0.36 -0.82 0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1t2t s PHE 212 Cb -0.13 -0.52 0.62 0.00 0.51 0.00 0.00 43.02 43.50 1t2t s PHE 212 CO 0.26 -0.11 1.80 -0.44 0.70 0.00 0.00 175.22 177.43 1t2t h ASP 213 N 3.23 0.20 -5.19 1.36 3.32 -1.88 -1.85 116.42 115.60 1t2t h ASP 213 Ca -0.36 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 1t2t h ASP 213 Cb 1.17 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.56 1t2t h ASP 213 CO 0.60 0.50 -0.15 0.00 -1.72 0.00 0.00 179.24 178.48 1t2t h ALA 215 N 2.35 1.56 -0.55 0.00 0.00 -1.89 -2.21 119.26 118.51 1t2t h ALA 215 Ca -0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1t2t h ALA 215 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1t2t h ALA 215 CO 0.41 0.39 0.29 0.00 0.00 0.00 0.00 179.25 180.34 1t2t h ALA 216 N 1.62 1.48 -0.19 0.00 0.00 -1.95 0.33 119.26 120.54 1t2t h ALA 216 Ca 0.20 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1t2t h ALA 216 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1t2t h ALA 216 CO -0.04 0.43 -0.36 -0.44 0.00 0.00 0.00 179.25 178.84 1t2t h ASP 217 N 0.77 0.65 -0.63 0.00 3.32 -1.82 0.32 116.42 119.01 1t2t h ASP 217 Ca 0.20 -0.54 0.07 0.00 0.02 0.00 0.00 57.03 56.77 1t2t h ASP 217 Cb 0.04 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1t2t h ASP 217 CO -0.03 1.07 0.33 0.00 -1.72 0.00 0.00 179.24 178.89 1t2t h ALA 218 N 0.60 0.84 -0.07 3.45 0.00 -0.84 0.25 119.26 123.49 1t2t h ALA 218 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1t2t h ALA 218 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1t2t h ALA 218 CO 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 1t2t h ALA 219 N 1.36 0.10 -0.25 0.00 0.00 -0.20 -1.55 119.26 118.71 1t2t h ALA 219 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1t2t h ALA 219 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1t2t h ALA 219 CO -0.21 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 178.97 1t2t h ARG 220 N -0.22 0.35 0.07 0.00 3.08 -0.08 0.42 114.38 118.01 1t2t h ARG 220 Ca 0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1t2t h ARG 220 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1t2t h ARG 220 CO 0.01 0.30 -0.04 1.25 -1.07 0.00 0.00 179.97 180.42 1t2t h HIS 221 N 0.35 -0.09 0.00 3.04 2.76 -0.34 -3.15 115.15 117.73 1t2t h HIS 221 Ca 0.09 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1t2t h HIS 221 Cb 0.08 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1t2t h HIS 221 CO 0.00 0.35 0.00 1.19 -1.30 0.00 0.00 177.93 178.18 1t2t n PHE 222 N -4.91 0.87 -2.50 5.26 3.01 -0.60 -4.94 117.46 113.65 1t2t n PHE 222 Ca -0.08 0.28 -0.08 0.00 1.01 0.00 0.00 57.45 58.57 1t2t n PHE 222 Cb 0.25 -0.96 0.04 0.00 -0.01 0.00 0.00 39.48 38.80 1t2t n PHE 222 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1t2t n LYS 223 N -2.24 -1.78 -4.27 -1.08 4.76 0.14 -5.07 118.16 108.62 1t2t n LYS 223 Ca 0.04 0.45 -0.14 0.00 -2.87 0.00 0.00 58.31 55.79 1t2t n LYS 223 Cb 0.36 -3.89 -0.10 0.00 -1.84 0.00 0.00 35.03 29.56 1t2t n LYS 223 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1t2t s ILE 224 N -3.20 0.50 0.53 -0.18 -4.36 -0.46 -5.03 121.20 109.01 1t2t s ILE 224 Ca 0.17 -1.99 -0.19 0.00 -0.26 0.00 0.00 60.65 58.39 1t2t s ILE 224 Cb -0.02 -2.41 -0.06 0.00 1.25 0.00 0.00 42.46 41.21 1t2t s ILE 224 CO 0.38 -0.19 1.07 -0.94 0.24 0.00 0.00 174.94 175.51 1t2t s SER 225 N -3.23 5.99 0.54 4.36 1.04 -1.26 -4.49 113.70 116.65 1t2t s SER 225 Ca 0.33 1.97 0.27 0.00 0.48 0.00 0.00 55.95 59.00 1t2t s SER 225 Cb 0.07 -2.56 1.53 0.00 0.10 0.00 0.00 66.02 65.16 1t2t s SER 225 CO 0.09 -1.02 2.12 0.28 0.98 0.00 0.00 173.24 175.69 1t2t h SER 226 N 1.13 0.00 0.79 7.02 0.02 -1.94 -1.73 113.55 118.84 1t2t h SER 226 Ca -0.49 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1t2t h SER 226 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1t2t h SER 226 CO 0.58 0.09 -0.47 1.23 -1.14 0.00 0.00 176.83 177.12 1t2t h GLY 227 N 0.59 0.00 2.00 -3.77 0.00 -2.00 -2.75 103.07 97.14 1t2t h GLY 227 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1t2t h GLY 227 CO 0.01 0.00 -0.52 -2.00 0.00 0.00 0.00 176.54 174.03 1t2t h LEU 228 N 0.00 0.00 -0.25 3.11 5.85 -1.68 -1.75 115.31 120.58 1t2t h LEU 228 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1t2t h LEU 228 Cb 0.99 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1t2t h LEU 228 CO 0.06 0.52 0.09 0.58 -0.34 0.00 0.00 178.44 179.35 1t2t h VAL 229 N 0.00 1.18 -0.49 1.05 2.07 -1.43 -1.13 116.25 117.50 1t2t h VAL 229 Ca -0.01 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1t2t h VAL 229 Cb 1.00 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1t2t h VAL 229 CO 0.07 0.18 0.24 0.74 0.02 0.00 0.00 177.57 178.83 1t2t h THR 230 N 0.25 0.95 -0.15 2.57 2.02 -1.39 -1.09 112.91 116.08 1t2t h THR 230 Ca 0.08 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1t2t h THR 230 Cb 0.20 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1t2t h THR 230 CO -0.01 0.09 -0.19 0.22 0.37 0.00 0.00 175.52 176.01 1t2t h TYR 231 N 0.48 -0.48 -0.38 3.16 3.20 -0.87 -2.55 116.97 119.52 1t2t h TYR 231 Ca 0.21 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 1t2t h TYR 231 Cb 0.13 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1t2t h TYR 231 CO -0.10 -0.26 0.07 0.00 -1.64 0.00 0.00 178.16 176.22 1t2t h ARG 232 N -0.22 0.63 -0.05 1.82 3.08 -0.85 0.14 114.38 118.93 1t2t h ARG 232 Ca 0.11 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1t2t h ARG 232 Cb 0.38 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1t2t h ARG 232 CO -0.28 0.68 0.11 0.28 -1.07 0.00 0.00 179.97 179.69 1t2t h VAL 233 N 0.47 0.23 0.00 2.04 2.07 -1.03 0.07 116.25 120.11 1t2t h VAL 233 Ca 0.12 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 1t2t h VAL 233 Cb 0.36 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1t2t h VAL 233 CO 0.01 0.00 -2.07 0.29 0.02 0.00 0.00 177.57 175.81 1t2t n LYS 234 N -3.40 0.67 -2.21 1.57 5.02 -0.92 -4.76 118.16 114.13 1t2t n LYS 234 Ca -0.02 -0.15 -0.40 0.00 -2.02 0.00 0.00 58.31 55.73 1t2t n LYS 234 Cb 0.19 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1t2t n LYS 234 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1t2t s SER 235 N -4.70 6.72 0.00 4.39 0.15 0.46 -4.89 113.70 115.83 1t2t s SER 235 Ca -0.08 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.40 1t2t s SER 235 Cb 0.12 -2.64 1.55 0.00 -1.71 0.00 0.00 66.02 63.35 1t2t s SER 235 CO 0.87 -0.55 2.04 -0.90 1.20 0.00 0.00 173.24 175.90 1t2t n ASP 236 N 0.59 0.37 0.01 5.45 5.75 -1.26 -3.15 116.55 124.30 1t2t n ASP 236 Ca 0.01 -0.88 0.12 0.00 -0.01 0.00 0.00 54.79 54.04 1t2t n ASP 236 Cb 0.44 -0.05 0.28 0.00 -1.03 0.00 0.00 41.12 40.76 1t2t n ASP 236 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1t2t n LYS 237 N -0.82 0.04 -4.35 0.11 5.02 -1.26 -4.91 118.16 112.00 1t2t n LYS 237 Ca 0.20 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 1t2t n LYS 237 Cb 0.21 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 1t2t n LYS 237 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1t2t s TRP 238 N -3.03 2.04 -1.01 2.13 0.52 -1.19 -5.04 118.94 113.37 1t2t s TRP 238 Ca 0.11 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 1t2t s TRP 238 Cb 0.17 -1.08 0.32 0.00 -1.15 0.00 0.00 33.47 31.73 1t2t s TRP 238 CO 0.68 0.31 1.88 -1.71 0.02 0.00 0.00 176.95 178.14 1t2t n ASN 239 N 0.78 7.41 -4.26 2.95 5.15 -1.26 -4.88 115.26 121.15 1t2t n ASN 239 Ca -0.17 -3.69 -0.34 0.00 -0.60 0.00 0.00 54.58 49.78 1t2t n ASN 239 Cb 0.54 -1.16 -0.15 0.00 -0.53 0.00 0.00 39.78 38.48 1t2t n ASN 239 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1t2t s TRP 240 N -4.20 2.84 0.05 1.20 0.52 -1.26 -0.98 118.94 117.11 1t2t s TRP 240 Ca 0.41 -1.08 -0.03 0.00 0.02 0.00 0.00 56.10 55.43 1t2t s TRP 240 Cb 0.23 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1t2t s TRP 240 CO -0.17 -0.53 0.02 -0.59 0.02 0.00 0.00 176.95 175.70 1t2t s PHE 241 N 1.06 0.40 -0.08 -1.98 -0.12 -1.14 -4.26 117.98 111.87 1t2t s PHE 241 Ca -0.00 -0.89 -0.21 0.00 -0.05 0.00 0.00 56.93 55.78 1t2t s PHE 241 Cb -0.15 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 1t2t s PHE 241 CO -0.03 -0.39 0.60 0.71 -0.05 0.00 0.00 175.22 176.06 1t2t s TYR 242 N -3.59 3.57 0.20 3.49 4.12 -1.26 -1.44 117.35 122.43 1t2t s TYR 242 Ca 0.04 1.11 -0.30 0.00 0.02 0.00 0.00 57.07 57.94 1t2t s TYR 242 Cb 0.05 -2.69 -0.08 0.00 -1.52 0.00 0.00 41.96 37.73 1t2t s TYR 242 CO -0.09 0.15 1.05 0.42 0.02 0.00 0.00 175.55 177.10 1t2t s ILE 243 N 0.61 3.93 0.00 2.71 1.01 0.58 -4.96 121.20 125.08 1t2t s ILE 243 Ca 0.32 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.73 1t2t s ILE 243 Cb -0.17 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1t2t s ILE 243 CO 0.15 0.34 0.00 0.59 0.00 0.00 0.00 174.94 176.02