#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3md1 s PHE 162 N 0.00 1.25 -0.06 1.09 0.08 -0.05 -4.99 117.98 115.30 3md1 s PHE 162 Ca 0.00 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.52 3md1 s PHE 162 Cb 0.00 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 3md1 s PHE 162 CO 0.00 -0.43 -0.16 -0.80 -0.10 0.00 0.00 175.22 173.73 3md1 s ASN 163 N 1.64 2.09 -0.14 1.36 -0.87 -1.26 -1.17 114.94 116.59 3md1 s ASN 163 Ca 0.03 -0.35 -0.11 0.00 -1.57 0.00 0.00 52.86 50.85 3md1 s ASN 163 Cb -0.13 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.25 40.27 3md1 s ASN 163 CO -0.06 0.10 0.23 -0.76 -2.57 0.00 0.00 177.10 174.04 3md1 s LEU 164 N 0.33 4.30 -0.25 0.60 1.43 0.70 -0.93 118.68 124.87 3md1 s LEU 164 Ca -0.10 0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 3md1 s LEU 164 Cb -0.14 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 3md1 s LEU 164 CO 0.04 0.22 0.52 0.12 0.23 0.00 0.00 176.35 177.48 3md1 s PHE 165 N -0.12 3.29 -0.33 0.29 2.19 0.63 -1.45 117.98 122.48 3md1 s PHE 165 Ca 0.15 0.68 -0.05 0.00 0.33 0.00 0.00 56.93 58.03 3md1 s PHE 165 Cb -0.13 -2.71 0.04 0.00 -1.31 0.00 0.00 43.02 38.91 3md1 s PHE 165 CO 0.03 -0.24 0.09 0.08 1.83 0.00 0.00 175.22 177.01 3md1 s VAL 166 N 2.17 3.61 0.57 3.12 1.01 0.55 -1.36 120.40 130.07 3md1 s VAL 166 Ca 0.22 -1.21 0.08 0.00 0.00 0.00 0.00 61.98 61.06 3md1 s VAL 166 Cb -0.16 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.23 3md1 s VAL 166 CO 0.09 -0.18 0.61 -0.83 0.00 0.00 0.00 175.10 174.79 3md1 s GLY 167 N 1.40 2.04 -1.49 4.51 0.00 0.15 -0.97 107.32 112.96 3md1 s GLY 167 Ca -0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 44.72 42.94 3md1 s GLY 167 CO 0.02 -1.82 0.72 1.34 0.00 0.00 0.00 173.10 173.35 3md1 n ASP 168 N -2.03 -6.11 -4.74 1.64 2.03 -1.15 -1.76 116.55 104.43 3md1 n ASP 168 Ca 0.07 -0.33 -0.41 0.00 0.52 0.00 0.00 54.79 54.64 3md1 n ASP 168 Cb 0.63 -4.89 -0.04 0.00 -0.72 0.00 0.00 41.12 36.10 3md1 n ASP 168 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3md1 s LEU 169 N -6.67 4.51 0.25 -2.67 1.43 -0.14 -4.57 118.68 110.82 3md1 s LEU 169 Ca 0.36 1.96 -0.31 0.00 -1.03 0.00 0.00 54.13 55.10 3md1 s LEU 169 Cb -0.16 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 3md1 s LEU 169 CO 0.44 -0.11 1.41 -3.20 0.23 0.00 0.00 176.35 175.12 3md1 n ASN 170 N 2.41 2.80 0.30 2.29 2.85 -1.26 -4.50 115.26 120.14 3md1 n ASN 170 Ca 0.02 1.15 0.17 0.00 -0.11 0.00 0.00 54.58 55.81 3md1 n ASN 170 Cb 0.47 -1.44 0.93 0.00 1.24 0.00 0.00 39.78 40.98 3md1 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3md1 h VAL 171 N 3.03 0.00 -0.05 3.44 -1.51 -1.95 -0.53 116.25 118.69 3md1 h VAL 171 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3md1 h VAL 171 Cb 1.27 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 3md1 h VAL 171 CO 0.75 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.63 3md1 n ASN 172 N -2.80 0.93 -4.64 4.19 0.23 -1.26 -4.65 115.26 107.25 3md1 n ASN 172 Ca -0.02 -1.42 -0.42 0.00 -0.53 0.00 0.00 54.58 52.18 3md1 n ASN 172 Cb 0.18 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 3md1 n ASN 172 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3md1 s VAL 173 N -1.95 4.72 0.51 3.53 1.01 -0.21 -5.03 120.40 122.99 3md1 s VAL 173 Ca 0.37 1.67 0.07 0.00 0.00 0.00 0.00 61.98 64.09 3md1 s VAL 173 Cb 0.19 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.40 3md1 s VAL 173 CO 0.30 -0.21 0.56 -0.90 0.00 0.00 0.00 175.10 174.84 3md1 n ASP 174 N 6.30 2.24 -0.22 3.32 5.68 -1.26 -4.93 116.55 127.67 3md1 n ASP 174 Ca 0.08 -2.55 -0.01 0.00 -0.50 0.00 0.00 54.79 51.81 3md1 n ASP 174 Cb 0.47 -0.22 0.10 0.00 -1.14 0.00 0.00 41.12 40.34 3md1 n ASP 174 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3md1 h ASP 175 N 0.33 0.48 -0.37 -1.12 3.32 -1.92 -1.00 116.42 116.13 3md1 h ASP 175 Ca -0.28 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3md1 h ASP 175 Cb 1.14 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3md1 h ASP 175 CO 0.42 0.31 0.22 -0.08 -1.72 0.00 0.00 179.24 178.39 3md1 h GLU 176 N 0.62 0.43 -0.17 3.56 4.81 -1.96 0.16 114.58 122.04 3md1 h GLU 176 Ca 0.30 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3md1 h GLU 176 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3md1 h GLU 176 CO -0.21 0.29 0.09 1.15 -0.73 0.00 0.00 179.01 179.60 3md1 h THR 177 N 0.45 1.10 -0.12 0.32 2.02 -1.80 -0.72 112.91 114.16 3md1 h THR 177 Ca 0.15 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3md1 h THR 177 Cb 0.01 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3md1 h THR 177 CO -0.07 0.10 0.05 0.25 0.37 0.00 0.00 175.52 176.22 3md1 h LEU 178 N 0.17 0.16 -0.76 2.58 5.85 -0.97 -2.84 115.31 119.51 3md1 h LEU 178 Ca 0.06 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3md1 h LEU 178 Cb 0.08 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3md1 h LEU 178 CO -0.01 0.28 0.47 0.03 -0.34 0.00 0.00 178.44 178.87 3md1 h ARG 179 N 0.03 0.87 -0.32 1.25 3.08 -0.62 -2.02 114.38 116.66 3md1 h ARG 179 Ca 0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3md1 h ARG 179 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3md1 h ARG 179 CO -0.00 0.58 0.21 -0.91 -1.07 0.00 0.00 179.97 178.77 3md1 h ASN 180 N 0.90 0.31 1.20 7.04 2.35 -1.01 0.15 115.58 126.51 3md1 h ASN 180 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3md1 h ASN 180 Cb 0.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3md1 h ASN 180 CO -0.14 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3md1 h ALA 181 N 1.81 1.00 0.00 -0.83 0.00 -1.12 -3.35 119.26 116.77 3md1 h ALA 181 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3md1 h ALA 181 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3md1 h ALA 181 CO -0.03 0.00 -0.19 1.19 0.00 0.00 0.00 179.25 180.22 3md1 n PHE 182 N -3.05 0.00 0.30 0.00 3.01 -0.74 -4.87 117.46 112.12 3md1 n PHE 182 Ca 0.01 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.65 3md1 n PHE 182 Cb 0.35 0.00 0.79 0.00 -0.01 0.00 0.00 39.48 40.60 3md1 n PHE 182 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3md1 h LYS 183 N 0.00 0.00 -0.00 -1.08 2.10 -0.87 -1.97 116.57 114.74 3md1 h LYS 183 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3md1 h LYS 183 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3md1 h LYS 183 CO 0.00 0.00 -0.32 -0.25 -2.00 0.00 0.00 179.45 176.88 3md1 n ASP 184 N -2.98 0.68 -4.77 7.07 8.00 -1.26 -4.84 116.55 118.46 3md1 n ASP 184 Ca -0.00 -0.51 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 3md1 n ASP 184 Cb 0.24 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3md1 n ASP 184 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3md1 s PHE 185 N -2.73 3.26 0.30 1.24 0.08 -0.74 -4.98 117.98 114.41 3md1 s PHE 185 Ca 0.19 1.58 -0.29 0.00 0.12 0.00 0.00 56.93 58.52 3md1 s PHE 185 Cb 0.19 -3.42 -0.13 0.00 -0.57 0.00 0.00 43.02 39.09 3md1 s PHE 185 CO 0.59 -1.15 1.35 -2.30 -0.10 0.00 0.00 175.22 173.61 3md1 n PRO 186 N 0.67 2.11 -0.94 0.24 -0.02 -1.26 -2.59 135.00 133.21 3md1 n PRO 186 Ca 0.01 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3md1 n PRO 186 Cb 0.45 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3md1 n PRO 186 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3md1 n SER 187 N 1.42 -3.00 -4.73 2.55 7.64 -1.26 -4.70 113.62 111.53 3md1 n SER 187 Ca 0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 3md1 n SER 187 Cb 0.34 -1.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.00 3md1 n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3md1 n TYR 188 N -2.42 2.70 -0.02 1.43 9.36 -1.07 -1.21 117.16 125.94 3md1 n TYR 188 Ca 0.00 0.36 -0.05 0.00 3.32 0.00 0.00 57.90 61.53 3md1 n TYR 188 Cb 0.15 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.30 3md1 n TYR 188 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3md1 n LEU 189 N 1.66 1.36 -3.70 2.98 4.77 0.22 -4.87 117.00 119.41 3md1 n LEU 189 Ca 0.07 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3md1 n LEU 189 Cb 0.36 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3md1 n LEU 189 CO 0.63 -0.43 0.35 -0.94 -1.33 0.00 0.00 177.39 175.68 3md1 s SER 190 N -5.98 -0.33 -0.06 -1.43 1.04 -1.20 -5.00 113.70 100.76 3md1 s SER 190 Ca -0.13 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.77 3md1 s SER 190 Cb 0.02 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3md1 s SER 190 CO 0.18 -1.12 0.27 -0.83 0.98 0.00 0.00 173.24 172.73 3md1 s GLY 191 N -2.86 -0.15 -0.03 7.32 0.00 -1.26 -1.13 107.32 109.21 3md1 s GLY 191 Ca 0.08 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.26 3md1 s GLY 191 CO -0.02 0.32 0.07 0.30 0.00 0.00 0.00 173.10 173.77 3md1 s HIS 192 N -0.62 -0.05 -0.12 1.90 3.76 0.16 -4.86 115.29 115.45 3md1 s HIS 192 Ca -0.07 0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.89 3md1 s HIS 192 Cb -0.04 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.50 3md1 s HIS 192 CO 0.02 -0.09 0.46 0.08 -0.85 0.00 0.00 174.74 174.36 3md1 s VAL 193 N 0.74 5.20 0.21 -0.90 1.01 -1.26 -0.69 120.40 124.71 3md1 s VAL 193 Ca -0.06 0.91 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 3md1 s VAL 193 Cb -0.08 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3md1 s VAL 193 CO -0.03 0.33 0.87 -0.04 0.00 0.00 0.00 175.10 176.24 3md1 s MET 194 N 0.60 4.73 0.04 2.72 -1.94 0.01 -4.95 119.30 120.52 3md1 s MET 194 Ca 0.25 1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 55.55 3md1 s MET 194 Cb -0.15 -3.25 -0.02 0.00 2.01 0.00 0.00 34.83 33.42 3md1 s MET 194 CO 0.10 0.53 0.04 1.67 -0.01 0.00 0.00 175.02 177.35 3md1 s TRP 195 N -1.18 0.31 -0.38 -0.03 1.48 -1.26 -0.47 118.94 117.41 3md1 s TRP 195 Ca 0.39 -0.69 -0.29 0.00 -1.06 0.00 0.00 56.10 54.45 3md1 s TRP 195 Cb -0.25 -0.22 0.02 0.00 -1.16 0.00 0.00 33.47 31.86 3md1 s TRP 195 CO 0.29 -0.35 1.15 0.34 -4.06 0.00 0.00 176.95 174.32 3md1 s ASP 196 N -2.31 6.76 0.00 -2.66 -1.08 0.32 -4.86 116.67 112.84 3md1 s ASP 196 Ca -0.02 0.85 0.19 0.00 -0.52 0.00 0.00 52.55 53.05 3md1 s ASP 196 Cb 0.01 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 40.08 3md1 s ASP 196 CO -0.06 -1.07 1.55 0.23 0.52 0.00 0.00 175.17 176.34 3md1 n MET 197 N 7.35 0.64 0.00 4.34 2.81 -1.26 -0.11 117.12 130.89 3md1 n MET 197 Ca 0.13 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.11 3md1 n MET 197 Cb 0.48 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.51 3md1 n MET 197 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3md1 n GLN 198 N -0.97 1.50 0.00 0.03 6.02 -1.26 -4.74 117.38 117.95 3md1 n GLN 198 Ca 0.15 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 3md1 n GLN 198 Cb 0.07 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3md1 n GLN 198 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3md1 n THR 199 N -0.11 0.00 0.00 5.09 -2.24 -0.43 -5.03 114.28 111.57 3md1 n THR 199 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3md1 n THR 199 Cb 0.39 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3md1 n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3md1 n GLY 200 N 0.32 1.60 3.72 3.38 0.00 0.84 -5.02 105.19 110.03 3md1 n GLY 200 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3md1 n GLY 200 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3md1 s SER 201 N -2.70 7.41 0.31 1.61 0.15 -1.25 -4.69 113.70 114.54 3md1 s SER 201 Ca 0.00 1.82 -0.29 0.00 0.70 0.00 0.00 55.95 58.18 3md1 s SER 201 Cb 0.00 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.60 3md1 s SER 201 CO 0.00 -0.16 1.26 -0.24 1.20 0.00 0.00 173.24 175.30 3md1 n SER 202 N 3.08 2.49 -0.12 5.45 2.88 -1.26 -0.52 113.62 125.62 3md1 n SER 202 Ca 0.04 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.91 3md1 n SER 202 Cb 0.49 -1.44 0.60 0.00 -0.75 0.00 0.00 64.21 63.11 3md1 n SER 202 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3md1 n ARG 203 N 0.85 0.68 -1.61 -1.46 1.74 0.38 -4.81 116.66 112.42 3md1 n ARG 203 Ca 0.07 -0.24 -0.03 0.00 -0.77 0.00 0.00 57.85 56.88 3md1 n ARG 203 Cb 0.34 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 3md1 n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3md1 n GLY 204 N 1.29 0.41 3.54 -0.13 0.00 -1.26 -4.98 105.19 104.06 3md1 n GLY 204 Ca 0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3md1 n GLY 204 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3md1 s TYR 205 N -2.14 -0.00 0.10 1.61 1.13 -1.26 -0.97 117.35 115.82 3md1 s TYR 205 Ca 0.00 -0.36 -0.04 0.00 -1.41 0.00 0.00 57.07 55.26 3md1 s TYR 205 Cb 0.00 0.34 0.02 0.00 -1.10 0.00 0.00 41.96 41.22 3md1 s TYR 205 CO 0.00 -0.93 0.22 0.41 -2.51 0.00 0.00 175.55 172.73 3md1 n GLY 206 N -0.34 1.66 3.08 5.49 0.00 -0.15 -0.81 105.19 114.12 3md1 n GLY 206 Ca -0.08 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 3md1 n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3md1 s PHE 207 N -6.94 1.00 -0.07 1.61 0.08 0.13 -0.33 117.98 113.46 3md1 s PHE 207 Ca 0.04 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.85 3md1 s PHE 207 Cb -0.01 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 3md1 s PHE 207 CO 0.03 -0.00 -0.13 0.08 -0.10 0.00 0.00 175.22 175.10 3md1 s VAL 208 N -0.56 1.17 0.05 -0.44 1.01 -0.53 -0.67 120.40 120.43 3md1 s VAL 208 Ca 0.02 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3md1 s VAL 208 Cb -0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3md1 s VAL 208 CO 0.00 0.36 -0.12 -0.44 0.00 0.00 0.00 175.10 174.91 3md1 s SER 209 N 0.65 4.26 0.04 3.32 0.01 -0.28 -0.21 113.70 121.49 3md1 s SER 209 Ca -0.15 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.79 3md1 s SER 209 Cb -0.16 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 3md1 s SER 209 CO 0.04 0.24 -0.05 -0.36 0.41 0.00 0.00 173.24 173.52 3md1 s PHE 210 N -1.04 0.53 0.14 2.43 0.40 -0.32 -0.61 117.98 119.50 3md1 s PHE 210 Ca 0.18 -0.67 0.11 0.00 -0.60 0.00 0.00 56.93 55.94 3md1 s PHE 210 Cb -0.11 -0.34 0.13 0.00 0.51 0.00 0.00 43.02 43.21 3md1 s PHE 210 CO 0.09 -0.18 1.47 1.79 0.70 0.00 0.00 175.22 179.09 3md1 h THR 211 N 4.09 1.39 -4.40 0.64 1.35 -1.44 -0.09 112.91 114.46 3md1 h THR 211 Ca -0.34 -2.58 -0.63 0.00 -0.55 0.00 0.00 66.41 62.32 3md1 h THR 211 Cb 1.19 2.44 -0.30 0.00 -1.73 0.00 0.00 68.15 69.75 3md1 h THR 211 CO 0.49 0.71 -0.86 -0.55 -0.25 0.00 0.00 175.52 175.05 3md1 s SER 212 N -6.68 2.58 0.08 5.36 0.15 -1.26 -4.64 113.70 109.29 3md1 s SER 212 Ca 0.01 -0.40 -0.22 0.00 0.70 0.00 0.00 55.95 56.04 3md1 s SER 212 Cb 0.11 -0.35 -0.12 0.00 -1.71 0.00 0.00 66.02 63.94 3md1 s SER 212 CO 0.77 0.26 1.62 -0.61 1.20 0.00 0.00 173.24 176.48 3md1 h GLN 213 N 5.68 0.16 -0.68 5.44 4.15 -1.93 -1.23 115.11 126.70 3md1 h GLN 213 Ca -0.39 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.05 3md1 h GLN 213 Cb 1.14 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.75 3md1 h GLN 213 CO 0.48 0.26 0.40 -0.44 -1.93 0.00 0.00 178.83 177.60 3md1 h ASP 214 N 0.02 0.63 -0.51 -0.69 5.19 -1.99 -0.79 116.42 118.28 3md1 h ASP 214 Ca 0.04 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 3md1 h ASP 214 Cb 0.16 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3md1 h ASP 214 CO -0.00 0.42 -0.13 0.44 -3.12 0.00 0.00 179.24 176.85 3md1 h ASP 215 N 0.76 0.99 -0.52 6.45 3.32 -1.84 -0.83 116.42 124.76 3md1 h ASP 215 Ca 0.29 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3md1 h ASP 215 Cb 0.11 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3md1 h ASP 215 CO -0.15 1.13 0.28 0.00 -1.72 0.00 0.00 179.24 178.79 3md1 h ALA 216 N 0.90 0.66 -0.70 3.45 0.00 -0.87 -1.81 119.26 120.89 3md1 h ALA 216 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3md1 h ALA 216 Cb 0.70 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3md1 h ALA 216 CO 0.05 -0.04 0.21 0.37 0.00 0.00 0.00 179.25 179.84 3md1 h GLN 217 N 0.56 1.10 -0.72 0.00 4.15 -0.81 -1.46 115.11 117.93 3md1 h GLN 217 Ca 0.22 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3md1 h GLN 217 Cb 0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 3md1 h GLN 217 CO -0.13 0.95 0.45 -0.91 -1.93 0.00 0.00 178.83 177.26 3md1 h ASN 218 N 1.04 0.86 -0.65 -0.69 2.35 -0.93 -1.57 115.58 115.99 3md1 h ASN 218 Ca 0.23 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3md1 h ASN 218 Cb 0.32 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3md1 h ASN 218 CO -0.00 0.66 0.22 0.00 -1.65 0.00 0.00 177.43 176.65 3md1 h ALA 219 N 1.24 0.85 -0.44 -0.83 0.00 -1.08 -2.19 119.26 116.81 3md1 h ALA 219 Ca 0.26 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3md1 h ALA 219 Cb -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3md1 h ALA 219 CO -0.05 0.51 0.13 1.98 0.00 0.00 0.00 179.25 181.82 3md1 h MET 220 N 0.93 0.28 -0.41 0.00 1.85 -0.96 -2.22 114.93 114.41 3md1 h MET 220 Ca 0.21 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.28 3md1 h MET 220 Cb 0.27 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 3md1 h MET 220 CO -0.01 0.19 0.24 -0.44 -0.40 0.00 0.00 176.91 176.49 3md1 h ASP 221 N 0.29 0.49 -0.35 1.39 3.32 -1.06 -1.30 116.42 119.19 3md1 h ASP 221 Ca 0.21 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3md1 h ASP 221 Cb 0.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3md1 h ASP 221 CO -0.23 0.41 0.08 0.28 -1.72 0.00 0.00 179.24 178.05 3md1 h SER 222 N 0.54 0.61 0.07 6.45 0.02 -1.19 -3.19 113.55 116.84 3md1 h SER 222 Ca 0.15 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3md1 h SER 222 Cb 0.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3md1 h SER 222 CO -0.03 0.63 -0.80 0.23 -1.14 0.00 0.00 176.83 175.72 3md1 n MET 223 N -4.29 0.29 -1.68 3.45 2.81 -0.85 -4.86 117.12 111.99 3md1 n MET 223 Ca 0.03 -0.23 -0.43 0.00 -1.81 0.00 0.00 57.70 55.25 3md1 n MET 223 Cb 0.22 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 3md1 n MET 223 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3md1 n GLN 224 N -1.15 2.74 -0.86 0.03 -0.06 -0.50 -1.61 117.38 115.97 3md1 n GLN 224 Ca 0.06 1.00 0.00 0.00 -2.00 0.00 0.00 57.00 56.06 3md1 n GLN 224 Cb 0.36 -2.92 0.00 0.00 -4.06 0.00 0.00 30.24 23.63 3md1 n GLN 224 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3md1 n GLY 225 N 4.37 0.71 3.78 1.69 0.00 0.74 -4.95 105.19 111.53 3md1 n GLY 225 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3md1 n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3md1 s GLN 226 N -0.29 4.37 0.23 1.61 -1.52 -0.64 -4.34 119.66 119.08 3md1 s GLN 226 Ca 0.00 1.47 -0.30 0.00 -1.95 0.00 0.00 55.36 54.58 3md1 s GLN 226 Cb 0.00 -2.69 -0.09 0.00 -0.22 0.00 0.00 33.01 30.01 3md1 s GLN 226 CO 0.00 0.05 1.12 -0.51 -0.25 0.00 0.00 175.29 175.70 3md1 s ASP 227 N -1.53 7.23 -0.10 5.90 1.01 -1.26 -0.59 116.67 127.33 3md1 s ASP 227 Ca 0.54 2.20 -0.01 0.00 0.71 0.00 0.00 52.55 55.99 3md1 s ASP 227 Cb -0.21 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.13 3md1 s ASP 227 CO 0.27 -0.22 -0.03 -0.22 0.21 0.00 0.00 175.17 175.19 3md1 s LEU 228 N -0.83 0.86 -1.64 1.23 2.96 -0.27 -4.81 118.68 116.20 3md1 s LEU 228 Ca 0.48 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.03 3md1 s LEU 228 Cb -0.31 -0.61 0.12 0.00 0.50 0.00 0.00 46.19 45.89 3md1 s LEU 228 CO 0.38 -0.17 0.74 0.59 -1.32 0.00 0.00 176.35 176.56 3md1 n ASN 229 N 5.06 -2.89 0.00 3.68 4.13 -1.26 -1.93 115.26 122.05 3md1 n ASN 229 Ca -0.09 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.18 3md1 n ASN 229 Cb 0.50 -2.91 0.00 0.00 -1.54 0.00 0.00 39.78 35.83 3md1 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3md1 n GLY 230 N -1.54 0.77 3.12 7.41 0.00 -1.26 -4.80 105.19 108.88 3md1 n GLY 230 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3md1 n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3md1 s ARG 231 N -0.27 2.16 0.12 1.61 1.81 -0.81 -5.04 118.95 118.53 3md1 s ARG 231 Ca 0.00 -0.63 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 3md1 s ARG 231 Cb 0.00 -1.75 -0.09 0.00 -0.45 0.00 0.00 34.95 32.66 3md1 s ARG 231 CO 0.00 0.15 1.54 -1.25 -0.68 0.00 0.00 175.30 175.06 3md1 s PRO 232 N 0.35 4.24 0.07 3.54 0.04 -1.26 -1.11 135.00 140.87 3md1 s PRO 232 Ca -0.12 2.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 3md1 s PRO 232 Cb -0.15 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 31.00 3md1 s PRO 232 CO 0.05 -0.60 1.54 -0.51 0.04 0.00 0.00 177.00 177.52 3md1 s LEU 233 N 1.60 4.35 -0.37 -3.56 1.43 0.24 -4.68 118.68 117.70 3md1 s LEU 233 Ca 0.70 2.39 -0.07 0.00 -1.03 0.00 0.00 54.13 56.12 3md1 s LEU 233 Cb -0.41 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.30 3md1 s LEU 233 CO 0.31 -0.81 0.16 -0.13 0.23 0.00 0.00 176.35 176.12 3md1 s ARG 234 N 2.16 2.56 -0.12 1.70 3.00 -0.72 -0.19 118.95 127.35 3md1 s ARG 234 Ca 0.70 -1.33 0.01 0.00 0.00 0.00 0.00 55.73 55.11 3md1 s ARG 234 Cb -0.38 -3.58 -0.01 0.00 0.00 0.00 0.00 34.95 30.99 3md1 s ARG 234 CO 0.30 -0.80 -0.17 0.42 0.00 0.00 0.00 175.30 175.06 3md1 s ILE 235 N 1.39 2.68 0.29 1.52 1.01 -1.26 0.30 121.20 127.12 3md1 s ILE 235 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.91 3md1 s ILE 235 Cb -0.21 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3md1 s ILE 235 CO 0.02 0.54 0.28 -0.46 0.00 0.00 0.00 174.94 175.32 3md1 n ASN 236 N 3.51 -0.73 -4.75 3.58 2.04 -0.47 -5.00 115.26 113.45 3md1 n ASN 236 Ca -0.18 -2.83 -0.41 0.00 -0.44 0.00 0.00 54.58 50.71 3md1 n ASN 236 Cb 0.53 1.60 -0.04 0.00 -2.53 0.00 0.00 39.78 39.34 3md1 n ASN 236 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 3md1 s TRP 237 N -3.17 3.44 0.30 -2.53 0.52 -1.26 -0.26 118.94 115.98 3md1 s TRP 237 Ca 0.32 1.52 -0.29 0.00 0.02 0.00 0.00 56.10 57.67 3md1 s TRP 237 Cb 0.01 -3.40 -0.11 0.00 -1.15 0.00 0.00 33.47 28.82 3md1 s TRP 237 CO 0.23 -1.04 1.48 0.00 0.02 0.00 0.00 176.95 177.64 3md1 s ALA 238 N -0.56 3.63 0.00 0.98 0.00 -0.11 -4.54 121.76 121.16 3md1 s ALA 238 Ca 0.49 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.90 3md1 s ALA 238 Cb -0.33 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3md1 s ALA 238 CO 0.40 -0.87 0.24 0.00 0.00 0.00 0.00 175.76 175.53