#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 h GLN 161 N 0.00 0.07 -6.15 -2.67 4.20 -2.08 -3.31 115.11 105.17 1ny9 h GLN 161 Ca 0.00 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1ny9 h GLN 161 Cb 0.00 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.67 1ny9 h GLN 161 CO 0.00 0.05 1.03 1.03 -0.67 0.00 0.00 178.83 180.27 1ny9 s ARG 162 N -6.19 3.24 -0.02 1.46 0.52 -1.26 -4.85 118.95 111.86 1ny9 s ARG 162 Ca -0.14 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1ny9 s ARG 162 Cb 0.14 -4.36 0.02 0.00 0.52 0.00 0.00 34.95 31.27 1ny9 s ARG 162 CO 0.71 -2.10 1.47 0.44 0.02 0.00 0.00 175.30 175.84 1ny9 n ILE 163 N 6.35 1.52 -0.02 1.52 -6.64 -1.25 -3.66 119.36 117.17 1ny9 n ILE 163 Ca 0.06 -0.30 -0.05 0.00 -1.77 0.00 0.00 62.75 60.70 1ny9 n ILE 163 Cb 0.49 -1.21 -0.02 0.00 -1.44 0.00 0.00 39.64 37.46 1ny9 n ILE 163 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1ny9 n GLN 164 N 0.88 0.10 -0.12 6.28 0.00 -1.26 -4.55 117.38 118.71 1ny9 n GLN 164 Ca 0.02 0.04 0.08 0.00 -0.00 0.00 0.00 57.00 57.14 1ny9 n GLN 164 Cb 0.52 -0.70 0.41 0.00 0.00 0.00 0.00 30.24 30.48 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1ny9 h ASP 165 N -0.16 0.54 -0.24 1.69 5.19 -1.99 -1.54 116.42 119.91 1ny9 h ASP 165 Ca -0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1ny9 h ASP 165 Cb 1.11 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1ny9 h ASP 165 CO -0.07 0.34 0.13 -0.33 -3.12 0.00 0.00 179.24 176.19 1ny9 h GLU 166 N 0.61 0.33 -0.49 3.56 5.08 -1.83 0.49 114.58 122.32 1ny9 h GLU 166 Ca 0.28 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1ny9 h GLU 166 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1ny9 h GLU 166 CO -0.09 0.31 0.26 0.00 -1.00 0.00 0.00 179.01 178.49 1ny9 h ALA 167 N 1.00 0.63 -0.14 3.43 0.00 -1.65 -2.14 119.26 120.40 1ny9 h ALA 167 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ny9 h ALA 167 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ny9 h ALA 167 CO -0.01 0.16 0.03 -0.44 0.00 0.00 0.00 179.25 178.99 1ny9 h ASP 168 N 0.65 0.17 -0.29 0.00 5.19 -0.84 0.10 116.42 121.40 1ny9 h ASP 168 Ca 0.17 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1ny9 h ASP 168 Cb 0.07 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1ny9 h ASP 168 CO -0.03 0.18 0.14 -0.08 -3.12 0.00 0.00 179.24 176.34 1ny9 h GLU 169 N 0.20 0.47 -0.43 3.56 4.81 -0.23 -2.13 114.58 120.83 1ny9 h GLU 169 Ca 0.05 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1ny9 h GLU 169 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ny9 h GLU 169 CO -0.00 0.39 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.45 1ny9 h LEU 170 N 0.47 0.87 -0.06 1.64 3.38 -0.83 -2.13 115.31 118.66 1ny9 h LEU 170 Ca 0.12 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1ny9 h LEU 170 Cb 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ny9 h LEU 170 CO -0.01 1.06 -0.28 0.74 0.09 0.00 0.00 178.44 180.03 1ny9 h THR 171 N 0.68 0.37 -0.72 0.22 2.02 -1.08 0.58 112.91 114.98 1ny9 h THR 171 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1ny9 h THR 171 Cb 0.70 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1ny9 h THR 171 CO 0.05 0.00 0.47 -0.09 0.37 0.00 0.00 175.52 176.33 1ny9 h ARG 172 N -0.39 0.65 -0.14 6.66 2.43 -1.49 0.51 114.38 122.61 1ny9 h ARG 172 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 172 Cb 0.51 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ny9 h ARG 172 CO -0.28 0.43 0.02 -0.09 -1.51 0.00 0.00 179.97 178.54 1ny9 h ARG 173 N 0.67 0.23 -0.13 0.20 9.65 0.06 0.41 114.38 125.47 1ny9 h ARG 173 Ca 0.32 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1ny9 h ARG 173 Cb 0.39 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1ny9 h ARG 173 CO -0.11 0.43 0.02 0.74 2.80 0.00 0.00 179.97 183.85 1ny9 h PHE 174 N -0.00 0.23 -0.98 2.20 -1.00 0.13 -2.66 116.94 114.85 1ny9 h PHE 174 Ca 0.04 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1ny9 h PHE 174 Cb 0.31 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 1ny9 h PHE 174 CO 0.02 0.40 0.64 0.28 -1.61 0.00 0.00 178.31 178.04 1ny9 h VAL 175 N -0.01 1.26 -0.79 -0.55 2.07 0.01 0.15 116.25 118.38 1ny9 h VAL 175 Ca 0.04 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.18 1ny9 h VAL 175 Cb 0.29 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 1ny9 h VAL 175 CO 0.00 0.25 0.52 0.00 0.02 0.00 0.00 177.57 178.36 1ny9 h ALA 176 N 1.35 1.78 -0.43 1.67 0.00 0.03 0.14 119.26 123.80 1ny9 h ALA 176 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ny9 h ALA 176 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1ny9 h ALA 176 CO -0.08 0.06 0.13 -0.07 0.00 0.00 0.00 179.25 179.30 1ny9 h LEU 177 N 0.71 0.63 -0.79 0.00 3.38 -0.40 -2.08 115.31 116.76 1ny9 h LEU 177 Ca 0.37 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1ny9 h LEU 177 Cb 0.47 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1ny9 h LEU 177 CO -0.14 0.67 0.47 0.24 0.09 0.00 0.00 178.44 179.77 1ny9 h MET 178 N 0.56 0.82 -0.73 1.13 2.86 0.04 0.29 114.93 119.91 1ny9 h MET 178 Ca 0.14 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1ny9 h MET 178 Cb 0.27 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1ny9 h MET 178 CO -0.00 0.55 0.34 0.22 1.06 0.00 0.00 176.91 179.07 1ny9 h ASP 179 N 0.85 0.41 1.32 1.22 1.82 -0.36 1.20 116.42 122.88 1ny9 h ASP 179 Ca 0.36 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.07 1ny9 h ASP 179 Cb 0.21 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1ny9 h ASP 179 CO -0.19 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 177.65 1ny9 h ALA 180 N 1.47 1.00 -5.41 -0.78 0.00 -0.91 -3.46 119.26 111.17 1ny9 h ALA 180 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 1ny9 h ALA 180 Cb 0.46 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.39 1ny9 h ALA 180 CO -0.31 0.00 -0.65 0.41 0.00 0.00 0.00 179.25 178.69 1ny9 n GLY 181 N 0.86 -0.38 3.73 0.00 0.00 0.41 -4.96 105.19 104.85 1ny9 n GLY 181 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ny9 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ny9 s GLU 182 N -5.87 0.97 -0.13 1.61 2.02 -1.01 -4.96 118.70 111.33 1ny9 s GLU 182 Ca 0.35 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.53 1ny9 s GLU 182 Cb -0.16 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 1ny9 s GLU 182 CO 0.67 -2.36 1.20 -1.25 0.02 0.00 0.00 175.26 173.54 1ny9 s PRO 183 N -5.09 4.29 0.38 0.39 0.04 -1.26 -4.84 135.00 128.90 1ny9 s PRO 183 Ca 0.64 1.61 0.15 0.00 0.04 0.00 0.00 61.00 63.44 1ny9 s PRO 183 Cb -0.17 -3.66 0.80 0.00 0.04 0.00 0.00 34.50 31.52 1ny9 s PRO 183 CO 0.56 -0.58 1.36 0.00 0.04 0.00 0.00 177.00 178.38 1ny9 h ALA 184 N 7.77 1.24 -0.34 8.56 0.00 -1.93 2.52 119.26 137.07 1ny9 h ALA 184 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ny9 h ALA 184 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ny9 h ALA 184 CO 0.93 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.47 1ny9 n ASP 185 N -2.17 3.13 -4.71 0.00 -0.08 -1.26 -4.01 116.55 107.45 1ny9 n ASP 185 Ca -0.01 -2.35 -0.42 0.00 -1.51 0.00 0.00 54.79 50.50 1ny9 n ASP 185 Cb 0.35 -0.50 -0.03 0.00 2.34 0.00 0.00 41.12 43.29 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 6.87 0.30 1.67 0.15 0.85 -4.72 113.70 118.23 1ny9 s SER 186 Ca 0.29 2.24 0.06 0.00 0.70 0.00 0.00 55.95 59.24 1ny9 s SER 186 Cb 0.20 -2.58 0.82 0.00 -1.71 0.00 0.00 66.02 62.75 1ny9 s SER 186 CO 0.12 -0.63 1.68 -0.33 1.20 0.00 0.00 173.24 175.28 1ny9 h GLU 187 N 6.94 0.35 -0.14 5.44 4.39 -1.90 3.55 114.58 133.20 1ny9 h GLU 187 Ca -0.41 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1ny9 h GLU 187 Cb 1.21 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ny9 h GLU 187 CO 0.86 0.23 0.05 0.78 -1.16 0.00 0.00 179.01 179.77 1ny9 h GLY 188 N 0.36 0.24 0.68 -3.84 0.00 -1.95 2.60 103.07 101.16 1ny9 h GLY 188 Ca 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1ny9 h GLY 188 CO -0.57 0.13 -0.12 0.00 0.00 0.00 0.00 176.54 175.98 1ny9 h ALA 189 N 0.87 -0.35 -0.80 3.60 0.00 -0.04 0.72 119.26 123.25 1ny9 h ALA 189 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ny9 h ALA 189 Cb 0.21 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ny9 h ALA 189 CO -0.00 -0.53 0.53 0.52 0.00 0.00 0.00 179.25 179.76 1ny9 h MET 190 N -0.67 1.03 -0.81 0.00 2.07 0.63 0.79 114.93 117.98 1ny9 h MET 190 Ca -0.04 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.59 1ny9 h MET 190 Cb 0.47 -0.23 -0.05 0.00 -1.87 0.00 0.00 31.60 29.91 1ny9 h MET 190 CO 0.06 0.68 0.53 0.22 1.07 0.00 0.00 176.91 179.47 1ny9 h ASP 191 N 1.06 0.79 -0.53 1.22 3.58 0.47 0.93 116.42 123.94 1ny9 h ASP 191 Ca 0.30 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.71 1ny9 h ASP 191 Cb -0.08 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1ny9 h ASP 191 CO -0.08 0.52 0.16 0.00 -2.88 0.00 0.00 179.24 176.96 1ny9 h ALA 192 N 1.55 0.70 -0.55 -0.78 0.00 0.22 0.43 119.26 120.83 1ny9 h ALA 192 Ca 0.34 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1ny9 h ALA 192 Cb 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1ny9 h ALA 192 CO -0.12 0.36 0.23 0.00 0.00 0.00 0.00 179.25 179.73 1ny9 h ALA 193 N 1.03 0.70 -0.36 0.00 0.00 0.55 2.08 119.26 123.26 1ny9 h ALA 193 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ny9 h ALA 193 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ny9 h ALA 193 CO -0.00 -0.15 0.18 1.49 0.00 0.00 0.00 179.25 180.77 1ny9 h GLU 194 N 0.44 0.37 -0.39 0.00 4.57 0.20 0.02 114.58 119.79 1ny9 h GLU 194 Ca 0.26 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1ny9 h GLU 194 Cb 0.26 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1ny9 h GLU 194 CO -0.23 0.24 0.23 0.22 -1.18 0.00 0.00 179.01 178.29 1ny9 h ASP 195 N 0.38 0.48 -0.10 1.04 1.82 0.23 -0.04 116.42 120.23 1ny9 h ASP 195 Ca 0.15 -0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1ny9 h ASP 195 Cb 0.05 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 39.88 1ny9 h ASP 195 CO -0.10 0.42 -0.49 -0.74 -1.61 0.00 0.00 179.24 176.72 1ny9 h HIS 196 N 0.51 -1.43 -0.79 0.28 2.76 0.42 0.24 115.15 117.15 1ny9 h HIS 196 Ca 0.14 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.46 1ny9 h HIS 196 Cb 0.03 0.64 -0.07 0.00 1.55 0.00 0.00 27.41 29.55 1ny9 h HIS 196 CO -0.03 -0.53 0.43 -0.09 -1.30 0.00 0.00 177.93 176.41 1ny9 h ARG 197 N -0.57 0.69 -0.84 5.26 2.43 -0.78 -0.04 114.38 120.52 1ny9 h ARG 197 Ca 0.05 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1ny9 h ARG 197 Cb 0.67 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1ny9 h ARG 197 CO -0.40 0.46 0.55 0.37 -1.51 0.00 0.00 179.97 179.44 1ny9 h GLN 198 N 0.71 1.01 -0.75 0.20 -0.00 0.87 -1.28 115.11 115.87 1ny9 h GLN 198 Ca 0.39 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 58.94 1ny9 h GLN 198 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 27.48 27.60 1ny9 h GLN 198 CO -0.26 0.67 0.35 0.78 0.00 0.00 0.00 178.83 180.37 1ny9 h GLY 199 N 1.04 1.16 0.80 2.39 0.00 0.13 0.15 103.07 108.75 1ny9 h GLY 199 Ca 0.33 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1ny9 h GLY 199 CO -0.10 0.54 -0.29 -2.22 0.00 0.00 0.00 176.54 174.48 1ny9 h ILE 200 N 1.07 0.30 -0.75 2.60 2.04 -0.85 -2.80 117.51 119.12 1ny9 h ILE 200 Ca 0.26 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1ny9 h ILE 200 Cb 0.12 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1ny9 h ILE 200 CO -0.03 0.03 0.50 0.00 0.00 0.00 0.00 178.15 178.65 1ny9 h ALA 201 N -0.77 2.09 0.00 1.87 0.00 -1.17 -1.05 119.26 120.23 1ny9 h ALA 201 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ny9 h ALA 201 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ny9 h ALA 201 CO 0.14 -0.29 -0.05 -0.09 0.00 0.00 0.00 179.25 178.96 1ny9 h ARG 202 N 0.43 0.00 -0.21 0.00 9.65 -0.42 2.47 114.38 126.30 1ny9 h ARG 202 Ca 0.37 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 59.12 1ny9 h ARG 202 Cb 0.82 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1ny9 h ARG 202 CO -0.12 0.05 -0.36 -0.91 2.80 0.00 0.00 179.97 181.43 1ny9 h ASN 203 N 0.00 0.68 -0.03 -3.80 2.35 -1.14 -3.41 115.58 110.23 1ny9 h ASN 203 Ca -0.00 -0.53 -0.17 0.00 -0.55 0.00 0.00 56.30 55.05 1ny9 h ASN 203 Cb 0.15 -0.19 -0.17 0.00 0.05 0.00 0.00 38.32 38.15 1ny9 h ASN 203 CO 0.01 1.08 -0.35 1.41 -1.65 0.00 0.00 177.43 177.93 1ny9 n HIS 204 N -4.27 -1.40 -3.04 1.19 8.25 -0.99 -5.14 115.22 109.82 1ny9 n HIS 204 Ca -0.06 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.91 1ny9 n HIS 204 Cb 0.51 1.20 0.00 0.00 1.12 0.00 0.00 29.99 32.82 1ny9 n HIS 204 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ny9 n TYR 205 N -1.15 -0.43 -2.75 4.41 4.01 0.83 -4.95 117.16 117.12 1ny9 n TYR 205 Ca -0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.53 1ny9 n TYR 205 Cb 0.85 0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.95 1ny9 n TYR 205 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1ny9 n ASP 206 N -3.39 -2.85 -3.65 7.72 -0.08 -1.26 -4.53 116.55 108.51 1ny9 n ASP 206 Ca 0.00 1.23 -0.05 0.00 -1.51 0.00 0.00 54.79 54.46 1ny9 n ASP 206 Cb 0.00 -4.02 -0.07 0.00 2.34 0.00 0.00 41.12 39.38 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ny9 s GLY 208 N 2.09 0.74 0.49 0.00 0.00 -1.26 -5.00 107.32 104.38 1ny9 s GLY 208 Ca -0.08 -0.67 0.24 0.00 0.00 0.00 0.00 44.72 44.21 1ny9 s GLY 208 CO -0.19 -0.57 1.90 -0.97 0.00 0.00 0.00 173.10 173.27 1ny9 h TYR 209 N 5.65 0.22 0.04 1.90 0.05 -1.99 0.21 116.97 123.06 1ny9 h TYR 209 Ca -0.35 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 1ny9 h TYR 209 Cb 1.16 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1ny9 h TYR 209 CO 0.42 0.06 -0.02 0.93 -1.05 0.00 0.00 178.16 178.50 1ny9 h GLU 210 N 0.17 -0.06 -0.22 4.88 5.08 -1.99 0.12 114.58 122.56 1ny9 h GLU 210 Ca 0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1ny9 h GLU 210 Cb 1.33 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1ny9 h GLU 210 CO -0.07 0.19 0.10 0.52 -1.00 0.00 0.00 179.01 178.74 1ny9 h MET 211 N -0.30 0.31 -0.61 2.33 2.86 -1.10 0.33 114.93 118.75 1ny9 h MET 211 Ca -0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1ny9 h MET 211 Cb 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1ny9 h MET 211 CO 0.01 0.25 0.08 1.25 1.06 0.00 0.00 176.91 179.56 1ny9 h HIS 212 N 0.31 1.11 -0.32 -0.22 6.17 -0.28 -2.10 115.15 119.82 1ny9 h HIS 212 Ca 0.08 -0.16 -0.03 0.00 0.71 0.00 0.00 60.37 60.97 1ny9 h HIS 212 Cb 0.05 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.67 1ny9 h HIS 212 CO 0.00 0.95 0.08 1.15 0.71 0.00 0.00 177.93 180.83 1ny9 h THR 213 N 0.94 1.15 -0.67 6.26 2.02 0.13 -2.24 112.91 120.50 1ny9 h THR 213 Ca 0.18 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ny9 h THR 213 Cb 0.46 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1ny9 h THR 213 CO 0.02 0.19 0.37 0.00 0.37 0.00 0.00 175.52 176.46 1ny9 h LEU 215 N 0.93 0.70 -1.07 0.00 4.07 -1.28 -2.02 115.31 116.64 1ny9 h LEU 215 Ca 0.24 -0.11 0.20 0.00 0.08 0.00 0.00 57.88 58.29 1ny9 h LEU 215 Cb 0.02 -0.18 -0.11 0.00 1.08 0.00 0.00 40.66 41.47 1ny9 h LEU 215 CO -0.04 0.68 0.61 1.23 -1.08 0.00 0.00 178.44 179.84 1ny9 h GLY 216 N 0.92 1.71 0.98 0.83 0.00 -1.20 -1.02 103.07 105.29 1ny9 h GLY 216 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1ny9 h GLY 216 CO -0.01 -0.09 -0.28 0.83 0.00 0.00 0.00 176.54 176.99 1ny9 h GLU 217 N 0.69 -0.74 -0.35 4.80 4.39 -1.36 -2.50 114.58 119.51 1ny9 h GLU 217 Ca 0.58 0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.35 1ny9 h GLU 217 Cb 1.01 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1ny9 h GLU 217 CO -0.38 -0.49 0.23 0.52 -1.16 0.00 0.00 179.01 177.74 1ny9 h MET 218 N -0.77 0.40 0.00 2.33 2.86 -1.31 4.23 114.93 122.67 1ny9 h MET 218 Ca -0.07 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ny9 h MET 218 Cb 0.60 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ny9 h MET 218 CO 0.11 0.26 0.00 0.66 1.06 0.00 0.00 176.91 179.01 1ny9 n TYR 219 N -4.49 0.00 0.00 -0.22 4.02 -0.49 -3.06 117.16 112.92 1ny9 n TYR 219 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1ny9 n TYR 219 Cb 0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 1ny9 n TYR 219 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ny9 n VAL 220 N -1.23 0.00 0.33 -0.72 0.31 0.71 -4.62 118.33 113.12 1ny9 n VAL 220 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1ny9 n VAL 220 Cb 0.00 0.00 0.34 0.00 -0.91 0.00 0.00 33.84 33.27 1ny9 n VAL 220 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ny9 h SER 221 N 0.00 0.00 -4.32 4.52 4.64 0.80 -3.40 113.55 115.79 1ny9 h SER 221 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ny9 h SER 221 Cb 0.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.68 1ny9 h SER 221 CO 0.00 0.00 -0.64 -1.81 -0.87 0.00 0.00 176.83 173.51 1ny9 s ASP 222 N -5.60 4.33 0.36 4.97 1.11 -1.17 -4.93 116.67 115.74 1ny9 s ASP 222 Ca 0.07 -2.95 0.11 0.00 0.18 0.00 0.00 52.55 49.95 1ny9 s ASP 222 Cb 0.08 -1.63 0.60 0.00 1.07 0.00 0.00 42.92 43.03 1ny9 s ASP 222 CO 0.61 -0.24 1.21 1.05 1.18 0.00 0.00 175.17 178.98 1ny9 h GLU 223 N 6.57 0.00 0.05 8.23 4.11 -1.83 0.16 114.58 131.87 1ny9 h GLU 223 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1ny9 h GLU 223 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ny9 h GLU 223 CO 0.68 0.00 -0.02 -0.09 0.07 0.00 0.00 179.01 179.64 1ny9 h ARG 224 N 0.00 -0.06 0.00 1.06 9.65 -1.91 -2.50 114.38 120.62 1ny9 h ARG 224 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ny9 h ARG 224 Cb 0.85 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1ny9 h ARG 224 CO 0.00 0.36 -0.00 0.74 2.80 0.00 0.00 179.97 183.87 1ny9 h PHE 225 N -0.50 -0.00 -0.65 2.20 -1.00 -0.97 -3.23 116.94 112.79 1ny9 h PHE 225 Ca -0.01 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.88 1ny9 h PHE 225 Cb 0.45 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.89 1ny9 h PHE 225 CO 0.07 0.87 -0.35 1.15 -1.61 0.00 0.00 178.31 178.44 1ny9 h THR 226 N -0.96 0.14 -0.81 -1.55 2.02 -1.35 0.18 112.91 110.58 1ny9 h THR 226 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1ny9 h THR 226 Cb 0.87 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 1ny9 h THR 226 CO 0.00 0.00 0.43 0.03 0.37 0.00 0.00 175.52 176.35 1ny9 h ARG 227 N -0.14 0.65 -0.02 6.66 3.08 -1.57 0.06 114.38 123.09 1ny9 h ARG 227 Ca 0.25 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1ny9 h ARG 227 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ny9 h ARG 227 CO -0.72 0.43 -0.20 -0.91 -1.07 0.00 0.00 179.97 177.50 1ny9 h ASN 228 N 0.67 0.21 0.79 7.04 4.21 -0.91 -2.60 115.58 124.98 1ny9 h ASN 228 Ca 0.42 -0.70 -0.04 0.00 1.21 0.00 0.00 56.30 57.18 1ny9 h ASN 228 Cb 0.50 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1ny9 h ASN 228 CO -0.31 0.88 -0.38 0.40 -1.29 0.00 0.00 177.43 176.74 1ny9 h ILE 229 N -0.45 0.00 0.00 2.81 2.04 -0.51 -2.90 117.51 118.51 1ny9 h ILE 229 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ny9 h ILE 229 Cb 0.89 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1ny9 h ILE 229 CO 0.04 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.52 1ny9 n ASP 230 N -4.85 0.18 0.03 1.72 2.03 -0.01 -2.70 116.55 112.95 1ny9 n ASP 230 Ca -0.13 0.56 0.10 0.00 0.52 0.00 0.00 54.79 55.84 1ny9 n ASP 230 Cb 0.42 -0.60 0.53 0.00 -0.72 0.00 0.00 41.12 40.75 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 1.97 -0.00 -1.67 0.00 -1.24 -0.04 119.26 120.49 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 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ny9 h ALA 231 CO 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1ny9 n ALA 232 N -2.52 2.58 -3.65 0.00 0.00 -1.10 -4.81 120.51 111.01 1ny9 n ALA 232 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1ny9 n ALA 232 Cb 0.24 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.35 0.01 0.17 0.00 -0.14 -0.03 -5.11 119.74 112.28 1ny9 s LYS 233 Ca 0.36 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 1ny9 s LYS 233 Cb 0.21 0.00 -0.07 0.00 -1.68 0.00 0.00 37.83 36.29 1ny9 s LYS 233 CO 0.43 -0.00 1.13 -1.25 -0.76 0.00 0.00 175.35 174.90 1ny9 s PRO 234 N 0.99 4.55 0.00 -1.68 0.04 -1.24 -3.35 135.00 134.31 1ny9 s PRO 234 Ca -0.08 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1ny9 s PRO 234 Cb -0.02 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1ny9 s PRO 234 CO -0.09 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1ny9 n GLY 235 N 2.19 2.20 0.37 0.56 0.00 -1.26 -4.85 105.19 104.40 1ny9 n GLY 235 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 0.95 0.32 0.99 8.10 -1.88 -0.72 115.31 123.07 1ny9 h LEU 236 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ny9 h LEU 236 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.04 1ny9 h LEU 236 CO 0.00 0.56 -0.25 0.00 -4.11 0.00 0.00 178.44 174.64 1ny9 h ALA 237 N 1.51 -0.56 -0.91 0.17 0.00 -1.89 0.19 119.26 117.77 1ny9 h ALA 237 Ca 0.45 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1ny9 h ALA 237 Cb 0.34 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1ny9 h ALA 237 CO -0.21 -0.84 0.58 0.00 0.00 0.00 0.00 179.25 178.78 1ny9 h ALA 238 N 0.05 1.25 -0.12 0.00 0.00 -1.66 0.18 119.26 118.96 1ny9 h ALA 238 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ny9 h ALA 238 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ny9 h ALA 238 CO -0.01 0.35 0.03 -0.92 0.00 0.00 0.00 179.25 178.70 1ny9 h TYR 239 N 1.06 0.21 -0.47 0.00 5.03 -0.66 -1.55 116.97 120.58 1ny9 h TYR 239 Ca 0.39 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.73 1ny9 h TYR 239 Cb 0.16 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.33 1ny9 h TYR 239 CO -0.02 0.35 0.20 0.52 -1.32 0.00 0.00 178.16 177.89 1ny9 h MET 240 N 0.00 0.38 -0.67 1.82 2.86 0.12 0.17 114.93 119.61 1ny9 h MET 240 Ca 0.04 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1ny9 h MET 240 Cb 0.24 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.71 1ny9 h MET 240 CO -0.00 0.25 0.08 -0.09 1.06 0.00 0.00 176.91 178.21 1ny9 h ARG 241 N 0.39 0.18 -0.95 1.72 1.12 -0.32 0.74 114.38 117.27 1ny9 h ARG 241 Ca 0.21 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.07 1ny9 h ARG 241 Cb 0.18 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.05 1ny9 h ARG 241 CO -0.19 0.12 0.59 -0.44 -3.11 0.00 0.00 179.97 176.94 1ny9 h ASP 242 N 0.19 1.12 -0.33 -3.80 3.32 0.08 -2.68 116.42 114.31 1ny9 h ASP 242 Ca 0.36 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1ny9 h ASP 242 Cb 0.61 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1ny9 h ASP 242 CO -0.52 0.85 0.19 0.00 -1.72 0.00 0.00 179.24 178.04 1ny9 h ALA 243 N 1.35 0.43 0.48 3.45 0.00 0.30 -2.68 119.26 122.59 1ny9 h ALA 243 Ca 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ny9 h ALA 243 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ny9 h ALA 243 CO -0.07 -0.07 -0.30 0.82 0.00 0.00 0.00 179.25 179.64 1ny9 h ILE 244 N 0.43 0.39 -0.54 0.00 1.08 -0.24 -2.49 117.51 116.13 1ny9 h ILE 244 Ca 0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1ny9 h ILE 244 Cb 0.03 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.14 1ny9 h ILE 244 CO -0.02 0.00 0.33 -0.07 -0.69 0.00 0.00 178.15 177.70 1ny9 h LEU 245 N -0.74 0.65 -0.06 1.44 4.07 -1.56 -0.10 115.31 119.01 1ny9 h LEU 245 Ca -0.06 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.87 1ny9 h LEU 245 Cb 0.61 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1ny9 h LEU 245 CO 0.06 0.51 -0.02 0.00 -1.08 0.00 0.00 178.44 177.90 1ny9 h ALA 246 N 1.17 0.03 -0.36 1.53 0.00 -1.40 1.33 119.26 121.56 1ny9 h ALA 246 Ca 0.20 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ny9 h ALA 246 Cb -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ny9 h ALA 246 CO -0.04 -0.50 0.22 -0.97 0.00 0.00 0.00 179.25 177.96 1ny9 h ASN 247 N -0.01 0.36 -0.18 0.00 -1.24 -1.29 -1.35 115.58 111.87 1ny9 h ASN 247 Ca 0.03 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1ny9 h ASN 247 Cb 0.06 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1ny9 h ASN 247 CO -0.07 0.26 0.08 0.00 -1.29 0.00 0.00 177.43 176.41 1ny9 h ALA 248 N 1.16 0.23 -0.49 1.57 0.00 -0.36 -2.76 119.26 118.60 1ny9 h ALA 248 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ny9 h ALA 248 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 248 CO -0.06 -0.20 0.25 0.28 0.00 0.00 0.00 179.25 179.51 1ny9 h VAL 249 N 0.15 0.95 0.00 0.00 2.07 0.20 1.94 116.25 121.57 1ny9 h VAL 249 Ca 0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ny9 h VAL 249 Cb 0.13 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ny9 h VAL 249 CO -0.01 0.09 0.00 0.08 0.02 0.00 0.00 177.57 177.75 1ny9 h ARG 250 N 0.48 0.00 0.00 1.57 0.11 -1.12 -3.16 114.38 112.26 1ny9 h ARG 250 Ca 0.22 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.26 1ny9 h ARG 250 Cb 0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1ny9 h ARG 250 CO -0.16 0.00 -0.91 0.72 0.10 0.00 0.00 179.97 179.72 1ny9 n HIS 251 N -2.89 0.41 -3.16 4.08 8.25 0.34 -5.04 115.22 117.20 1ny9 n HIS 251 Ca -0.01 0.18 -0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1ny9 n HIS 251 Cb 0.15 -0.66 0.01 0.00 1.12 0.00 0.00 29.99 30.61 1ny9 n HIS 251 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ny9 n THR 252 N -4.51 -4.29 1.96 1.59 -1.04 0.63 -5.09 114.28 103.53 1ny9 n THR 252 Ca -0.15 0.66 0.16 0.00 -2.04 0.00 0.00 64.05 62.68 1ny9 n THR 252 Cb 0.45 -3.89 0.92 0.00 -1.82 0.00 0.00 70.33 65.99 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62