#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 n GLN 161 N 0.00 0.00 -2.79 -0.99 6.02 -1.26 -4.85 117.38 113.51 1ny9 n GLN 161 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1ny9 n GLN 161 Cb 0.00 -4.36 -0.03 0.00 1.02 0.00 0.00 30.24 26.87 1ny9 n GLN 161 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ny9 s ARG 162 N -0.74 3.61 -0.12 -1.09 1.81 -1.26 -4.82 118.95 116.34 1ny9 s ARG 162 Ca 0.00 -1.55 0.02 0.00 -1.72 0.00 0.00 55.73 52.48 1ny9 s ARG 162 Cb 0.00 -5.09 0.22 0.00 -0.45 0.00 0.00 34.95 29.63 1ny9 s ARG 162 CO 0.00 -1.94 1.16 0.44 -0.68 0.00 0.00 175.30 174.28 1ny9 n ILE 163 N 5.99 1.42 -0.02 1.52 -5.35 -1.26 -3.91 119.36 117.74 1ny9 n ILE 163 Ca 0.28 -0.54 -0.05 0.00 -0.27 0.00 0.00 62.75 62.17 1ny9 n ILE 163 Cb 0.50 -0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 37.67 1ny9 n ILE 163 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ny9 n GLN 164 N 0.06 0.10 -0.08 6.28 6.02 -1.26 -4.58 117.38 123.92 1ny9 n GLN 164 Ca 0.15 0.04 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 1ny9 n GLN 164 Cb 0.76 -0.68 0.45 0.00 1.02 0.00 0.00 30.24 31.80 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ny9 h ASP 165 N -0.17 0.46 -0.34 1.08 3.32 -2.00 -2.18 116.42 116.60 1ny9 h ASP 165 Ca -0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ny9 h ASP 165 Cb 1.11 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1ny9 h ASP 165 CO -0.07 0.29 0.19 -0.33 -1.72 0.00 0.00 179.24 177.60 1ny9 h GLU 166 N 0.52 0.46 -0.92 3.56 5.08 -1.83 -1.71 114.58 119.74 1ny9 h GLU 166 Ca 0.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1ny9 h GLU 166 Cb 0.32 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1ny9 h GLU 166 CO -0.07 0.37 0.55 0.00 -1.00 0.00 0.00 179.01 178.86 1ny9 h ALA 167 N 1.07 1.24 -0.03 3.43 0.00 -1.66 -1.35 119.26 121.95 1ny9 h ALA 167 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ny9 h ALA 167 Cb 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ny9 h ALA 167 CO -0.02 0.65 -0.05 -0.44 0.00 0.00 0.00 179.25 179.39 1ny9 h ASP 168 N 1.27 0.04 -0.27 0.00 5.19 -0.88 -0.97 116.42 120.80 1ny9 h ASP 168 Ca 0.33 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.71 1ny9 h ASP 168 Cb -0.05 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1ny9 h ASP 168 CO -0.06 0.09 0.11 -0.33 -3.12 0.00 0.00 179.24 175.93 1ny9 h GLU 169 N 0.04 0.47 -0.22 3.56 5.08 -0.40 -2.66 114.58 120.46 1ny9 h GLU 169 Ca 0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1ny9 h GLU 169 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ny9 h GLU 169 CO 0.01 0.42 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.35 1ny9 h LEU 170 N 0.47 0.39 -0.09 1.33 -0.00 -1.13 -0.76 115.31 115.52 1ny9 h LEU 170 Ca 0.11 -0.32 0.04 0.00 -0.00 0.00 0.00 57.88 57.71 1ny9 h LEU 170 Cb 0.14 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.64 1ny9 h LEU 170 CO -0.01 0.62 -0.27 0.74 -0.00 0.00 0.00 178.44 179.52 1ny9 h THR 171 N 0.15 0.38 -0.91 0.22 2.02 -1.33 1.15 112.91 114.58 1ny9 h THR 171 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.32 1ny9 h THR 171 Cb 0.42 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1ny9 h THR 171 CO 0.01 0.00 0.59 -0.09 0.37 0.00 0.00 175.52 176.41 1ny9 h ARG 172 N -0.36 0.96 -0.09 6.66 2.43 -1.46 1.02 114.38 123.54 1ny9 h ARG 172 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ny9 h ARG 172 Cb 0.49 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ny9 h ARG 172 CO -0.29 0.63 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.71 1ny9 h ARG 173 N 0.99 0.17 -0.19 0.20 9.65 0.84 0.46 114.38 126.49 1ny9 h ARG 173 Ca 0.41 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.21 1ny9 h ARG 173 Cb 0.29 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1ny9 h ARG 173 CO -0.17 0.44 0.02 0.74 2.80 0.00 0.00 179.97 183.80 1ny9 h PHE 174 N -0.12 0.34 -0.97 2.20 0.04 0.22 -2.67 116.94 115.98 1ny9 h PHE 174 Ca 0.03 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ny9 h PHE 174 Cb 0.36 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.37 1ny9 h PHE 174 CO 0.04 0.49 0.61 0.28 -0.60 0.00 0.00 178.31 179.12 1ny9 h VAL 175 N 0.10 1.26 -0.76 -0.55 2.07 0.11 0.12 116.25 118.60 1ny9 h VAL 175 Ca 0.06 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1ny9 h VAL 175 Cb 0.33 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1ny9 h VAL 175 CO 0.01 0.27 0.50 0.00 0.02 0.00 0.00 177.57 178.36 1ny9 h ALA 176 N 1.34 1.84 -0.50 1.67 0.00 0.18 0.19 119.26 123.98 1ny9 h ALA 176 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1ny9 h ALA 176 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ny9 h ALA 176 CO -0.07 0.00 0.16 -0.07 0.00 0.00 0.00 179.25 179.27 1ny9 h LEU 177 N 0.65 0.73 -0.76 0.00 3.38 -0.46 -1.99 115.31 116.86 1ny9 h LEU 177 Ca 0.35 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1ny9 h LEU 177 Cb 0.50 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1ny9 h LEU 177 CO -0.13 0.74 0.45 0.24 0.09 0.00 0.00 178.44 179.83 1ny9 h MET 178 N 0.68 0.79 -0.71 1.13 2.86 -0.00 0.29 114.93 119.97 1ny9 h MET 178 Ca 0.16 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1ny9 h MET 178 Cb 0.27 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 1ny9 h MET 178 CO -0.01 0.52 0.31 0.22 1.06 0.00 0.00 176.91 179.02 1ny9 h ASP 179 N 0.82 0.36 1.31 1.22 3.58 -0.34 1.10 116.42 124.47 1ny9 h ASP 179 Ca 0.34 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.87 1ny9 h ASP 179 Cb 0.19 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1ny9 h ASP 179 CO -0.18 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 1ny9 h ALA 180 N 1.46 1.00 -5.58 -0.78 0.00 -0.96 -3.46 119.26 110.94 1ny9 h ALA 180 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.91 1ny9 h ALA 180 Cb 0.45 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.38 1ny9 h ALA 180 CO -0.32 0.00 -0.67 0.41 0.00 0.00 0.00 179.25 178.67 1ny9 n GLY 181 N 0.87 -0.44 3.74 0.00 0.00 0.38 -4.96 105.19 104.79 1ny9 n GLY 181 Ca 0.04 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1ny9 n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ny9 s GLU 182 N -6.00 1.15 -0.11 1.61 -1.05 -1.01 -4.96 118.70 108.32 1ny9 s GLU 182 Ca 0.41 0.56 -0.30 0.00 -0.15 0.00 0.00 54.97 55.50 1ny9 s GLU 182 Cb -0.18 -1.82 -0.02 0.00 -0.44 0.00 0.00 34.13 31.67 1ny9 s GLU 182 CO 0.69 -2.25 1.21 -1.25 0.95 0.00 0.00 175.26 174.61 1ny9 s PRO 183 N -5.07 4.30 0.38 -4.83 0.04 -1.26 -4.84 135.00 123.71 1ny9 s PRO 183 Ca 0.64 1.64 0.15 0.00 0.04 0.00 0.00 61.00 63.46 1ny9 s PRO 183 Cb -0.17 -3.64 0.82 0.00 0.04 0.00 0.00 34.50 31.55 1ny9 s PRO 183 CO 0.56 -0.56 1.37 0.00 0.04 0.00 0.00 177.00 178.42 1ny9 h ALA 184 N 7.74 1.24 -0.36 8.56 0.00 -1.93 2.44 119.26 136.95 1ny9 h ALA 184 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ny9 h ALA 184 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ny9 h ALA 184 CO 0.92 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.46 1ny9 n ASP 185 N -2.18 3.28 -4.71 0.00 -0.08 -1.26 -3.98 116.55 107.63 1ny9 n ASP 185 Ca -0.01 -2.38 -0.42 0.00 -1.51 0.00 0.00 54.79 50.47 1ny9 n ASP 185 Cb 0.35 -0.51 -0.03 0.00 2.34 0.00 0.00 41.12 43.27 1ny9 n ASP 185 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ny9 s SER 186 N -0.60 6.85 0.30 1.67 0.15 0.82 -4.70 113.70 118.18 1ny9 s SER 186 Ca 0.30 2.24 0.05 0.00 0.70 0.00 0.00 55.95 59.24 1ny9 s SER 186 Cb 0.21 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.73 1ny9 s SER 186 CO 0.12 -0.66 1.66 -0.08 1.20 0.00 0.00 173.24 175.48 1ny9 h GLU 187 N 7.13 0.27 -0.20 5.44 4.57 -1.90 4.03 114.58 133.92 1ny9 h GLU 187 Ca -0.41 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1ny9 h GLU 187 Cb 1.20 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1ny9 h GLU 187 CO 0.87 0.18 0.06 0.78 -1.18 0.00 0.00 179.01 179.72 1ny9 h GLY 188 N 0.28 0.34 0.68 1.92 0.00 -1.95 2.68 103.07 107.02 1ny9 h GLY 188 Ca 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1ny9 h GLY 188 CO -0.61 0.19 -0.12 0.00 0.00 0.00 0.00 176.54 175.99 1ny9 h ALA 189 N 0.88 -0.33 -0.76 3.60 0.00 0.34 0.61 119.26 123.60 1ny9 h ALA 189 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ny9 h ALA 189 Cb 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ny9 h ALA 189 CO -0.00 -0.53 0.50 0.52 0.00 0.00 0.00 179.25 179.74 1ny9 h MET 190 N -0.66 0.99 -0.60 0.00 2.07 0.74 0.55 114.93 118.02 1ny9 h MET 190 Ca -0.03 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1ny9 h MET 190 Cb 0.46 -0.22 -0.04 0.00 -1.87 0.00 0.00 31.60 29.93 1ny9 h MET 190 CO 0.06 0.65 0.40 0.22 1.07 0.00 0.00 176.91 179.31 1ny9 h ASP 191 N 1.02 0.51 -0.58 1.22 3.58 0.49 0.95 116.42 123.60 1ny9 h ASP 191 Ca 0.29 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 1ny9 h ASP 191 Cb -0.09 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1ny9 h ASP 191 CO -0.07 0.33 0.19 0.00 -2.88 0.00 0.00 179.24 176.82 1ny9 h ALA 192 N 1.67 0.76 -0.60 -0.78 0.00 0.23 0.27 119.26 120.81 1ny9 h ALA 192 Ca 0.26 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ny9 h ALA 192 Cb 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1ny9 h ALA 192 CO -0.08 0.41 0.28 0.00 0.00 0.00 0.00 179.25 179.86 1ny9 h ALA 193 N 1.06 0.79 -0.30 0.00 0.00 0.46 2.25 119.26 123.52 1ny9 h ALA 193 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ny9 h ALA 193 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ny9 h ALA 193 CO -0.01 -0.10 0.14 1.49 0.00 0.00 0.00 179.25 180.77 1ny9 h GLU 194 N 0.51 0.29 -0.28 0.00 4.57 0.14 0.27 114.58 120.07 1ny9 h GLU 194 Ca 0.29 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1ny9 h GLU 194 Cb 0.28 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1ny9 h GLU 194 CO -0.24 0.19 0.16 0.22 -1.18 0.00 0.00 179.01 178.17 1ny9 h ASP 195 N 0.29 0.35 -0.02 1.04 1.82 0.18 0.13 116.42 120.21 1ny9 h ASP 195 Ca 0.13 -0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1ny9 h ASP 195 Cb 0.06 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 39.92 1ny9 h ASP 195 CO -0.10 0.32 -0.52 -0.74 -1.61 0.00 0.00 179.24 176.58 1ny9 h HIS 196 N 0.35 -1.54 -0.64 0.28 2.76 0.47 0.14 115.15 116.97 1ny9 h HIS 196 Ca 0.10 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1ny9 h HIS 196 Cb 0.04 0.68 -0.06 0.00 1.55 0.00 0.00 27.41 29.61 1ny9 h HIS 196 CO -0.04 -0.55 0.30 -0.09 -1.30 0.00 0.00 177.93 176.25 1ny9 h ARG 197 N -0.64 0.52 -0.40 5.26 2.43 -0.31 -0.35 114.38 120.89 1ny9 h ARG 197 Ca 0.01 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ny9 h ARG 197 Cb 0.69 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1ny9 h ARG 197 CO -0.36 0.34 0.22 0.37 -1.51 0.00 0.00 179.97 179.03 1ny9 h GLN 198 N 0.54 0.43 -0.40 0.20 -0.00 0.32 0.21 115.11 116.41 1ny9 h GLN 198 Ca 0.31 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.83 1ny9 h GLN 198 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1ny9 h GLN 198 CO -0.25 0.29 -0.16 0.78 0.00 0.00 0.00 178.83 179.48 1ny9 h GLY 199 N 0.44 0.89 0.78 2.39 0.00 -0.20 0.70 103.07 108.09 1ny9 h GLY 199 Ca 0.17 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1ny9 h GLY 199 CO -0.10 0.71 -0.34 -2.22 0.00 0.00 0.00 176.54 174.60 1ny9 h ILE 200 N 0.64 0.12 -0.76 2.60 2.04 -0.77 -2.46 117.51 118.92 1ny9 h ILE 200 Ca 0.09 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.81 1ny9 h ILE 200 Cb 0.71 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1ny9 h ILE 200 CO 0.05 0.01 0.50 0.00 0.00 0.00 0.00 178.15 178.72 1ny9 h ALA 201 N -1.07 1.95 -0.72 1.87 0.00 -0.62 -1.28 119.26 119.39 1ny9 h ALA 201 Ca -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ny9 h ALA 201 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1ny9 h ALA 201 CO 0.16 -0.14 0.24 -0.09 0.00 0.00 0.00 179.25 179.41 1ny9 h ARG 202 N 0.54 1.09 -0.97 0.00 9.65 -0.67 -2.30 114.38 121.73 1ny9 h ARG 202 Ca 0.36 -0.22 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1ny9 h ARG 202 Cb 0.66 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 1ny9 h ARG 202 CO -0.13 0.92 0.62 -0.91 2.80 0.00 0.00 179.97 183.27 1ny9 h ASN 203 N 1.06 1.00 -4.99 -3.80 -0.26 -0.75 -3.45 115.58 104.38 1ny9 h ASN 203 Ca 0.23 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1ny9 h ASN 203 Cb 0.28 -0.21 -0.10 0.00 -1.06 0.00 0.00 38.32 37.22 1ny9 h ASN 203 CO -0.01 0.65 0.22 -1.00 -1.06 0.00 0.00 177.43 176.23 1ny9 s HIS 204 N -6.06 -0.45 0.00 1.19 3.76 -0.86 -5.13 115.29 107.74 1ny9 s HIS 204 Ca -0.13 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1ny9 s HIS 204 Cb 0.19 0.59 0.00 0.00 1.11 0.00 0.00 32.58 34.48 1ny9 s HIS 204 CO 0.81 -0.93 0.00 0.66 -0.85 0.00 0.00 174.74 174.43 1ny9 n TYR 205 N -0.40 -0.82 0.00 1.40 4.01 -1.25 -4.33 117.16 115.78 1ny9 n TYR 205 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1ny9 n TYR 205 Cb 0.64 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 1ny9 n TYR 205 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1ny9 n ASP 206 N -3.07 3.09 -4.58 7.72 5.68 -1.26 -4.63 116.55 119.50 1ny9 n ASP 206 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 54.79 53.78 1ny9 n ASP 206 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ny9 n GLY 208 N 2.26 -1.39 0.41 0.00 0.00 -1.26 -4.98 105.19 100.22 1ny9 n GLY 208 Ca 0.17 0.83 0.20 0.00 0.00 0.00 0.00 46.02 47.23 1ny9 n GLY 208 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ny9 h TYR 209 N 2.77 0.34 -0.09 1.61 0.05 -1.99 0.12 116.97 119.78 1ny9 h TYR 209 Ca -0.26 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 1ny9 h TYR 209 Cb 1.20 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1ny9 h TYR 209 CO -0.12 0.10 0.02 0.93 -1.05 0.00 0.00 178.16 178.04 1ny9 h GLU 210 N 0.27 0.14 -0.16 4.88 5.08 -1.99 -1.23 114.58 121.57 1ny9 h GLU 210 Ca 0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1ny9 h GLU 210 Cb 1.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ny9 h GLU 210 CO -0.10 0.34 0.10 0.52 -1.00 0.00 0.00 179.01 178.88 1ny9 h MET 211 N -0.08 0.20 -0.47 2.33 2.86 -1.21 0.29 114.93 118.84 1ny9 h MET 211 Ca 0.03 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1ny9 h MET 211 Cb 0.27 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1ny9 h MET 211 CO 0.00 0.14 0.07 1.25 1.06 0.00 0.00 176.91 179.43 1ny9 h HIS 212 N 0.21 0.84 -0.39 -0.22 6.17 -0.57 -2.07 115.15 119.13 1ny9 h HIS 212 Ca 0.06 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 60.99 1ny9 h HIS 212 Cb -0.02 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.66 1ny9 h HIS 212 CO -0.00 0.78 0.12 1.15 0.71 0.00 0.00 177.93 180.69 1ny9 h THR 213 N 0.65 1.16 -0.78 6.26 2.02 0.17 -2.33 112.91 120.08 1ny9 h THR 213 Ca 0.14 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1ny9 h THR 213 Cb 0.40 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1ny9 h THR 213 CO 0.01 0.21 0.43 0.00 0.37 0.00 0.00 175.52 176.53 1ny9 h LEU 215 N 1.08 0.65 -1.39 0.00 4.07 -1.05 -1.95 115.31 116.72 1ny9 h LEU 215 Ca 0.27 -0.13 0.25 0.00 0.08 0.00 0.00 57.88 58.36 1ny9 h LEU 215 Cb 0.03 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 41.52 1ny9 h LEU 215 CO -0.04 0.69 0.66 1.23 -1.08 0.00 0.00 178.44 179.90 1ny9 h GLY 216 N 0.92 1.15 0.91 0.83 0.00 -1.06 0.17 103.07 106.00 1ny9 h GLY 216 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1ny9 h GLY 216 CO 0.01 -0.11 -0.28 0.83 0.00 0.00 0.00 176.54 176.99 1ny9 h GLU 217 N 0.41 -0.71 -0.20 4.80 4.39 -1.31 -2.21 114.58 119.74 1ny9 h GLU 217 Ca 0.57 0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.33 1ny9 h GLU 217 Cb 1.43 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 1ny9 h GLU 217 CO -0.27 -0.47 0.13 0.52 -1.16 0.00 0.00 179.01 177.76 1ny9 h MET 218 N -0.73 0.23 0.00 2.33 2.86 -1.09 4.48 114.93 123.01 1ny9 h MET 218 Ca -0.06 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1ny9 h MET 218 Cb 0.59 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ny9 h MET 218 CO 0.07 0.15 0.00 0.66 1.06 0.00 0.00 176.91 178.86 1ny9 n TYR 219 N -4.51 0.00 0.00 -0.22 4.01 -0.61 -2.97 117.16 112.86 1ny9 n TYR 219 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ny9 n TYR 219 Cb 0.10 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1ny9 n TYR 219 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1ny9 n VAL 220 N -1.36 0.00 -1.68 -0.72 0.24 0.23 -4.33 118.33 110.71 1ny9 n VAL 220 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1ny9 n VAL 220 Cb 0.00 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.56 1ny9 n VAL 220 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ny9 s SER 221 N -1.62 2.71 -0.04 -1.34 1.04 1.45 -4.66 113.70 111.24 1ny9 s SER 221 Ca 0.00 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 56.89 1ny9 s SER 221 Cb 0.00 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1ny9 s SER 221 CO 0.00 -3.00 0.01 0.47 0.98 0.00 0.00 173.24 171.70 1ny9 n ASP 222 N -3.98 -6.74 0.15 7.02 9.92 -1.26 -3.73 116.55 117.93 1ny9 n ASP 222 Ca 0.13 0.65 0.04 0.00 -0.53 0.00 0.00 54.79 55.08 1ny9 n ASP 222 Cb 0.60 -2.09 0.22 0.00 -0.64 0.00 0.00 41.12 39.21 1ny9 n ASP 222 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ny9 n GLU 223 N 1.47 0.06 0.01 -1.24 4.71 -1.26 -0.90 120.64 123.49 1ny9 n GLU 223 Ca -0.01 0.50 -0.13 0.00 -0.01 0.00 0.00 57.16 57.51 1ny9 n GLU 223 Cb 0.36 -2.11 -0.09 0.00 -1.01 0.00 0.00 31.44 28.58 1ny9 n GLU 223 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ny9 h ARG 224 N 0.00 -0.04 0.01 3.49 3.08 -1.96 -2.56 114.38 116.40 1ny9 h ARG 224 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ny9 h ARG 224 Cb 0.84 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1ny9 h ARG 224 CO 0.00 0.34 -0.00 0.74 -1.07 0.00 0.00 179.97 179.98 1ny9 h PHE 225 N -0.42 -0.01 -0.66 3.04 -1.00 -1.24 -3.28 116.94 113.37 1ny9 h PHE 225 Ca -0.00 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1ny9 h PHE 225 Cb 0.40 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.84 1ny9 h PHE 225 CO 0.06 0.85 -0.32 1.15 -1.61 0.00 0.00 178.31 178.44 1ny9 h THR 226 N -0.94 0.16 -1.00 -1.55 2.02 -1.37 0.20 112.91 110.43 1ny9 h THR 226 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1ny9 h THR 226 Cb 0.86 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 1ny9 h THR 226 CO 0.00 0.00 0.62 0.03 0.37 0.00 0.00 175.52 176.54 1ny9 h ARG 227 N -0.12 0.87 -0.03 6.66 2.47 -1.58 -1.81 114.38 120.84 1ny9 h ARG 227 Ca 0.26 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1ny9 h ARG 227 Cb 0.55 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1ny9 h ARG 227 CO -0.73 0.58 -0.27 -0.91 0.56 0.00 0.00 179.97 179.20 1ny9 h ASN 228 N 0.90 0.28 0.81 7.04 -0.26 -1.05 -2.97 115.58 120.34 1ny9 h ASN 228 Ca 0.53 -0.71 -0.04 0.00 -0.56 0.00 0.00 56.30 55.52 1ny9 h ASN 228 Cb 0.65 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1ny9 h ASN 228 CO -0.31 0.95 -0.40 0.40 -1.06 0.00 0.00 177.43 177.01 1ny9 h ILE 229 N -0.36 0.00 0.00 2.81 2.04 -1.03 -2.86 117.51 118.10 1ny9 h ILE 229 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ny9 h ILE 229 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1ny9 h ILE 229 CO 0.05 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.53 1ny9 n ASP 230 N -4.99 0.08 0.06 1.72 2.03 -0.71 -2.74 116.55 112.01 1ny9 n ASP 230 Ca -0.14 0.53 0.10 0.00 0.52 0.00 0.00 54.79 55.80 1ny9 n ASP 230 Cb 0.44 -0.54 0.56 0.00 -0.72 0.00 0.00 41.12 40.85 1ny9 n ASP 230 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ny9 h ALA 231 N 2.21 2.02 -0.00 -1.67 0.00 -1.33 -0.05 119.26 120.43 1ny9 h ALA 231 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 231 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ny9 h ALA 231 CO 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.15 1ny9 n ALA 232 N -2.54 2.60 -3.56 0.00 0.00 -1.11 -4.81 120.51 111.11 1ny9 n ALA 232 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1ny9 n ALA 232 Cb 0.24 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1ny9 n ALA 232 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ny9 s LYS 233 N -2.32 0.02 0.18 0.00 -0.14 -0.03 -5.11 119.74 112.33 1ny9 s LYS 233 Ca 0.36 0.03 -0.30 0.00 -1.36 0.00 0.00 55.97 54.71 1ny9 s LYS 233 Cb 0.21 0.01 -0.08 0.00 -1.68 0.00 0.00 37.83 36.29 1ny9 s LYS 233 CO 0.42 -0.00 1.16 -1.25 -0.76 0.00 0.00 175.35 174.92 1ny9 s PRO 234 N 1.21 4.53 0.00 -1.68 0.04 -1.24 -3.30 135.00 134.56 1ny9 s PRO 234 Ca -0.06 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ny9 s PRO 234 Cb -0.02 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1ny9 s PRO 234 CO -0.11 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1ny9 n GLY 235 N 2.17 2.80 0.36 0.56 0.00 -1.26 -4.85 105.19 104.97 1ny9 n GLY 235 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1ny9 n GLY 235 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ny9 h LEU 236 N 0.00 0.79 0.39 0.99 8.10 -1.88 -1.10 115.31 122.59 1ny9 h LEU 236 Ca 0.00 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1ny9 h LEU 236 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 1ny9 h LEU 236 CO 0.00 0.47 -0.31 0.00 -4.11 0.00 0.00 178.44 174.48 1ny9 h ALA 237 N 1.56 -0.71 -0.78 0.17 0.00 -1.82 0.21 119.26 117.88 1ny9 h ALA 237 Ca 0.41 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1ny9 h ALA 237 Cb 0.41 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1ny9 h ALA 237 CO -0.17 -0.93 0.48 0.00 0.00 0.00 0.00 179.25 178.63 1ny9 h ALA 238 N -0.20 1.05 -0.34 0.00 0.00 -1.59 -1.98 119.26 116.19 1ny9 h ALA 238 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ny9 h ALA 238 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ny9 h ALA 238 CO -0.02 0.24 0.06 -0.92 0.00 0.00 0.00 179.25 178.62 1ny9 h TYR 239 N 0.91 0.60 -0.45 0.00 5.03 -0.84 -2.99 116.97 119.23 1ny9 h TYR 239 Ca 0.33 -0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.61 1ny9 h TYR 239 Cb 0.11 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.17 1ny9 h TYR 239 CO -0.04 0.62 0.19 0.52 -1.32 0.00 0.00 178.16 178.13 1ny9 h MET 240 N 0.40 0.37 -0.77 1.82 2.86 -0.03 -0.52 114.93 119.06 1ny9 h MET 240 Ca 0.11 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.89 1ny9 h MET 240 Cb 0.34 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.80 1ny9 h MET 240 CO 0.01 0.24 0.21 -0.09 1.06 0.00 0.00 176.91 178.34 1ny9 h ARG 241 N 0.38 0.28 -0.87 1.72 1.12 -1.24 0.63 114.38 116.40 1ny9 h ARG 241 Ca 0.21 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 1ny9 h ARG 241 Cb 0.17 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.02 1ny9 h ARG 241 CO -0.19 0.19 0.52 -0.44 -3.11 0.00 0.00 179.97 176.94 1ny9 h ASP 242 N 0.29 1.04 -0.23 -3.80 3.32 -1.00 -2.86 116.42 113.18 1ny9 h ASP 242 Ca 0.44 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1ny9 h ASP 242 Cb 0.76 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ny9 h ASP 242 CO -0.52 0.80 0.13 0.00 -1.72 0.00 0.00 179.24 177.93 1ny9 h ALA 243 N 1.38 0.29 0.48 3.45 0.00 0.12 -2.83 119.26 122.16 1ny9 h ALA 243 Ca 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ny9 h ALA 243 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ny9 h ALA 243 CO -0.06 -0.18 -0.29 0.82 0.00 0.00 0.00 179.25 179.54 1ny9 h ILE 244 N 0.27 0.41 -0.57 0.00 2.04 -0.90 -2.82 117.51 115.94 1ny9 h ILE 244 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ny9 h ILE 244 Cb 0.05 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1ny9 h ILE 244 CO -0.01 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.41 1ny9 h LEU 245 N -0.73 0.69 -0.05 1.44 3.38 -1.59 0.43 115.31 118.88 1ny9 h LEU 245 Ca -0.06 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ny9 h LEU 245 Cb 0.59 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ny9 h LEU 245 CO 0.07 0.55 -0.03 0.00 0.09 0.00 0.00 178.44 179.11 1ny9 h ALA 246 N 1.17 0.02 -0.31 1.53 0.00 -1.46 2.16 119.26 122.37 1ny9 h ALA 246 Ca 0.21 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ny9 h ALA 246 Cb -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ny9 h ALA 246 CO -0.04 -0.51 0.19 -0.97 0.00 0.00 0.00 179.25 177.92 1ny9 h ASN 247 N -0.03 0.32 -0.21 0.00 -0.73 -1.36 -1.14 115.58 112.43 1ny9 h ASN 247 Ca 0.03 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1ny9 h ASN 247 Cb 0.08 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1ny9 h ASN 247 CO -0.08 0.24 0.10 0.00 -0.37 0.00 0.00 177.43 177.32 1ny9 h ALA 248 N 1.13 0.27 -0.59 1.57 0.00 -0.17 -2.96 119.26 118.51 1ny9 h ALA 248 Ca 0.12 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ny9 h ALA 248 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ny9 h ALA 248 CO -0.04 -0.17 0.32 0.28 0.00 0.00 0.00 179.25 179.64 1ny9 h VAL 249 N 0.21 0.98 0.00 0.00 2.07 0.39 2.51 116.25 122.41 1ny9 h VAL 249 Ca 0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ny9 h VAL 249 Cb 0.12 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ny9 h VAL 249 CO -0.01 0.11 0.00 0.08 0.02 0.00 0.00 177.57 177.77 1ny9 h ARG 250 N 0.61 0.00 0.02 1.57 0.11 -1.07 -2.34 114.38 113.29 1ny9 h ARG 250 Ca 0.26 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.95 1ny9 h ARG 250 Cb 0.14 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.17 1ny9 h ARG 250 CO -0.16 0.00 -2.23 0.72 0.10 0.00 0.00 179.97 178.40 1ny9 n HIS 251 N -2.71 0.38 -3.23 4.08 8.25 0.43 -4.95 115.22 117.47 1ny9 n HIS 251 Ca -0.01 0.12 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1ny9 n HIS 251 Cb 0.13 -1.04 -0.04 0.00 1.12 0.00 0.00 29.99 30.15 1ny9 n HIS 251 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ny9 s THR 252 N -2.50 -0.84 -2.00 1.59 2.01 0.82 -5.10 115.64 109.62 1ny9 s THR 252 Ca -0.33 -0.03 0.30 0.00 0.31 0.00 0.00 61.69 61.94 1ny9 s THR 252 Cb 0.10 -0.93 0.85 0.00 0.01 0.00 0.00 72.50 72.53 1ny9 s THR 252 CO 0.59 -0.05 2.11 -0.81 -0.69 0.00 0.00 174.62 175.77