#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 -1.59 -3.51 5.87 10.64 -1.26 -5.09 117.38 122.44 1ny9 n GLN 161 Ca 0.00 -0.65 -0.14 0.00 -1.83 0.00 0.00 57.00 54.37 1ny9 n GLN 161 Cb 0.00 -0.58 -0.05 0.00 -0.86 0.00 0.00 30.24 28.75 1ny9 n GLN 161 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1ny9 s ARG 162 N -3.93 0.96 -0.45 2.61 3.52 -1.26 -5.03 118.95 115.38 1ny9 s ARG 162 Ca 0.26 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1ny9 s ARG 162 Cb -0.02 0.45 0.40 0.00 -1.56 0.00 0.00 34.95 34.22 1ny9 s ARG 162 CO 0.20 -0.34 1.91 0.44 -0.81 0.00 0.00 175.30 176.69 1ny9 n ILE 163 N 0.50 3.03 -0.02 4.11 -6.64 -1.26 -4.24 119.36 114.84 1ny9 n ILE 163 Ca -0.15 -2.01 -0.05 0.00 -1.77 0.00 0.00 62.75 58.77 1ny9 n ILE 163 Cb 0.59 -1.00 -0.02 0.00 -1.44 0.00 0.00 39.64 37.77 1ny9 n ILE 163 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ny9 n GLN 164 N -0.49 0.10 -0.31 6.28 1.13 -1.26 -4.49 117.38 118.34 1ny9 n GLN 164 Ca 0.47 0.04 -0.01 0.00 -1.94 0.00 0.00 57.00 55.56 1ny9 n GLN 164 Cb 0.91 -0.72 0.12 0.00 0.11 0.00 0.00 30.24 30.66 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1ny9 h ASP 165 N -0.14 0.88 -0.16 1.08 3.32 -1.99 0.50 116.42 119.91 1ny9 h ASP 165 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ny9 h ASP 165 Cb 1.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1ny9 h ASP 165 CO -0.06 0.59 0.09 -0.33 -1.72 0.00 0.00 179.24 177.81 1ny9 h GLU 166 N 1.03 0.23 -0.47 3.56 5.08 -1.84 0.83 114.58 122.99 1ny9 h GLU 166 Ca 0.35 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1ny9 h GLU 166 Cb 0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1ny9 h GLU 166 CO -0.13 0.24 0.25 0.00 -1.00 0.00 0.00 179.01 178.36 1ny9 h ALA 167 N 0.98 0.60 -0.13 3.43 0.00 -1.71 -2.10 119.26 120.32 1ny9 h ALA 167 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ny9 h ALA 167 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 167 CO -0.01 0.13 0.04 -0.44 0.00 0.00 0.00 179.25 178.98 1ny9 h ASP 168 N 0.61 0.16 -0.32 0.00 5.19 -0.48 0.22 116.42 121.81 1ny9 h ASP 168 Ca 0.16 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1ny9 h ASP 168 Cb 0.07 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1ny9 h ASP 168 CO -0.02 0.16 0.15 -0.08 -3.12 0.00 0.00 179.24 176.32 1ny9 h GLU 169 N 0.18 0.52 -0.44 3.56 4.22 -0.14 -2.19 114.58 120.29 1ny9 h GLU 169 Ca 0.05 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.31 1ny9 h GLU 169 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ny9 h GLU 169 CO -0.00 0.43 -0.17 -0.07 -2.18 0.00 0.00 179.01 177.02 1ny9 h LEU 170 N 0.52 0.91 -0.09 1.64 3.38 -0.79 -2.03 115.31 118.84 1ny9 h LEU 170 Ca 0.13 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1ny9 h LEU 170 Cb 0.11 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1ny9 h LEU 170 CO -0.01 1.09 -0.25 0.74 0.09 0.00 0.00 178.44 180.09 1ny9 h THR 171 N 0.72 0.40 -0.76 0.22 2.02 -1.05 0.74 112.91 115.20 1ny9 h THR 171 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.37 1ny9 h THR 171 Cb 0.73 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1ny9 h THR 171 CO 0.06 0.00 0.50 -0.09 0.37 0.00 0.00 175.52 176.35 1ny9 h ARG 172 N -0.34 0.68 -0.14 6.66 2.43 -1.46 0.73 114.38 122.94 1ny9 h ARG 172 Ca 0.09 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 172 Cb 0.47 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1ny9 h ARG 172 CO -0.29 0.45 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.52 1ny9 h ARG 173 N 0.70 0.25 -0.12 0.20 9.65 0.24 0.65 114.38 125.96 1ny9 h ARG 173 Ca 0.34 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1ny9 h ARG 173 Cb 0.41 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1ny9 h ARG 173 CO -0.12 0.50 0.02 0.74 2.80 0.00 0.00 179.97 183.91 1ny9 h PHE 174 N -0.02 0.21 -0.94 2.20 -1.00 0.16 -2.40 116.94 115.15 1ny9 h PHE 174 Ca 0.04 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1ny9 h PHE 174 Cb 0.39 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.85 1ny9 h PHE 174 CO 0.04 0.39 0.60 0.28 -1.61 0.00 0.00 178.31 178.00 1ny9 h VAL 175 N -0.04 1.25 -0.71 -0.55 2.07 0.47 0.21 116.25 118.95 1ny9 h VAL 175 Ca 0.04 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1ny9 h VAL 175 Cb 0.29 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1ny9 h VAL 175 CO 0.00 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.31 1ny9 h ALA 176 N 1.38 1.86 -0.44 1.67 0.00 0.65 0.16 119.26 124.54 1ny9 h ALA 176 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ny9 h ALA 176 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ny9 h ALA 176 CO -0.07 -0.01 0.15 -0.07 0.00 0.00 0.00 179.25 179.24 1ny9 h LEU 177 N 0.60 0.63 -0.76 0.00 3.38 -0.12 -2.09 115.31 116.95 1ny9 h LEU 177 Ca 0.33 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1ny9 h LEU 177 Cb 0.48 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1ny9 h LEU 177 CO -0.11 0.66 0.45 0.24 0.09 0.00 0.00 178.44 179.77 1ny9 h MET 178 N 0.57 0.80 -0.75 1.13 2.86 -0.05 0.16 114.93 119.65 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 0.25 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 1ny9 h MET 178 CO -0.01 0.53 0.37 0.22 1.06 0.00 0.00 176.91 179.08 1ny9 h ASP 179 N 0.83 0.46 1.33 1.22 1.82 -0.40 0.90 116.42 122.58 1ny9 h ASP 179 Ca 0.34 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1ny9 h ASP 179 Cb 0.18 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1ny9 h ASP 179 CO -0.18 0.24 0.00 0.00 -1.61 0.00 0.00 179.24 177.69 1ny9 h ALA 180 N 1.47 1.00 -3.56 -0.78 0.00 -0.93 -3.46 119.26 113.00 1ny9 h ALA 180 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 1ny9 h ALA 180 Cb 0.45 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.32 1ny9 h ALA 180 CO -0.30 0.00 -0.36 0.41 0.00 0.00 0.00 179.25 179.00 1ny9 n GLY 181 N 0.83 0.16 3.78 0.00 0.00 0.31 -4.98 105.19 105.28 1ny9 n GLY 181 Ca 0.04 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.45 3.03 -0.08 1.61 0.41 -0.66 -4.97 118.70 112.58 1ny9 s GLU 182 Ca 0.23 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.85 1ny9 s GLU 182 Cb -0.10 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.23 1ny9 s GLU 182 CO 0.37 -1.06 1.28 -1.25 -0.49 0.00 0.00 175.26 174.11 1ny9 s PRO 183 N -3.99 4.29 0.39 0.39 0.04 -1.26 -4.83 135.00 130.03 1ny9 s PRO 183 Ca 0.67 1.75 0.15 0.00 0.04 0.00 0.00 61.00 63.60 1ny9 s PRO 183 Cb -0.19 -3.66 0.81 0.00 0.04 0.00 0.00 34.50 31.50 1ny9 s PRO 183 CO 0.38 -0.58 1.36 0.00 0.04 0.00 0.00 177.00 178.20 1ny9 h ALA 184 N 7.91 1.26 -0.38 8.56 0.00 -1.93 2.30 119.26 136.97 1ny9 h ALA 184 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ny9 h ALA 184 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ny9 h ALA 184 CO 0.92 -0.26 0.00 -3.47 0.00 0.00 0.00 179.25 176.44 1ny9 n ASP 185 N -2.19 3.19 -4.71 0.00 -0.08 -1.26 -4.02 116.55 107.48 1ny9 n ASP 185 Ca -0.01 -2.32 -0.42 0.00 -1.51 0.00 0.00 54.79 50.53 1ny9 n ASP 185 Cb 0.37 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 43.32 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 -0.68 6.87 0.29 1.67 0.15 0.77 -4.69 113.70 118.08 1ny9 s SER 186 Ca 0.31 2.25 0.03 0.00 0.70 0.00 0.00 55.95 59.25 1ny9 s SER 186 Cb 0.21 -2.58 0.75 0.00 -1.71 0.00 0.00 66.02 62.68 1ny9 s SER 186 CO 0.14 -0.63 1.66 -0.33 1.20 0.00 0.00 173.24 175.27 1ny9 h GLU 187 N 6.93 0.25 -0.24 5.44 3.07 -1.91 4.25 114.58 132.37 1ny9 h GLU 187 Ca -0.42 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 1ny9 h GLU 187 Cb 1.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1ny9 h GLU 187 CO 0.86 0.16 0.07 0.78 -1.40 0.00 0.00 179.01 179.49 1ny9 h GLY 188 N 0.26 0.41 0.70 -3.84 0.00 -1.95 2.70 103.07 101.35 1ny9 h GLY 188 Ca 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1ny9 h GLY 188 CO -0.62 0.23 -0.15 0.00 0.00 0.00 0.00 176.54 176.00 1ny9 h ALA 189 N 0.89 -0.42 -0.83 3.60 0.00 0.25 0.13 119.26 122.89 1ny9 h ALA 189 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ny9 h ALA 189 Cb 0.25 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1ny9 h ALA 189 CO -0.00 -0.58 0.54 0.52 0.00 0.00 0.00 179.25 179.73 1ny9 h MET 190 N -0.72 1.06 -0.77 0.00 2.07 0.79 0.65 114.93 118.01 1ny9 h MET 190 Ca -0.04 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.58 1ny9 h MET 190 Cb 0.49 -0.24 -0.05 0.00 -1.87 0.00 0.00 31.60 29.93 1ny9 h MET 190 CO 0.07 0.70 0.50 0.22 1.07 0.00 0.00 176.91 179.48 1ny9 h ASP 191 N 1.09 0.74 -0.54 1.22 3.58 0.49 0.93 116.42 123.93 1ny9 h ASP 191 Ca 0.31 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.72 1ny9 h ASP 191 Cb -0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1ny9 h ASP 191 CO -0.08 0.49 0.18 0.00 -2.88 0.00 0.00 179.24 176.94 1ny9 h ALA 192 N 1.58 0.71 -0.57 -0.78 0.00 0.25 0.51 119.26 120.95 1ny9 h ALA 192 Ca 0.33 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.12 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 -0.11 0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.76 1ny9 h ALA 193 N 1.04 0.74 -0.11 0.00 0.00 0.54 2.24 119.26 123.72 1ny9 h ALA 193 Ca 0.18 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ny9 h ALA 193 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ny9 h ALA 193 CO -0.01 -0.11 0.01 1.49 0.00 0.00 0.00 179.25 180.63 1ny9 h GLU 194 N 0.49 0.05 -0.39 0.00 4.57 0.22 0.35 114.58 119.88 1ny9 h GLU 194 Ca 0.27 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1ny9 h GLU 194 Cb 0.25 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1ny9 h GLU 194 CO -0.22 0.04 0.22 0.22 -1.18 0.00 0.00 179.01 178.08 1ny9 h ASP 195 N 0.06 0.47 -0.07 1.04 1.82 0.15 0.17 116.42 120.06 1ny9 h ASP 195 Ca 0.05 -0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.65 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 -0.07 0.41 -0.50 -0.74 -1.61 0.00 0.00 179.24 176.73 1ny9 h HIS 196 N 0.50 -1.45 -0.68 0.28 2.76 0.45 0.34 115.15 117.36 1ny9 h HIS 196 Ca 0.14 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.44 1ny9 h HIS 196 Cb 0.03 0.64 -0.07 0.00 1.55 0.00 0.00 27.41 29.57 1ny9 h HIS 196 CO -0.03 -0.54 0.34 -0.09 -1.30 0.00 0.00 177.93 176.31 1ny9 h ARG 197 N -0.59 0.57 -0.27 5.26 2.43 0.00 -1.23 114.38 120.56 1ny9 h ARG 197 Ca 0.04 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1ny9 h ARG 197 Cb 0.68 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1ny9 h ARG 197 CO -0.39 0.38 0.11 0.37 -1.51 0.00 0.00 179.97 178.93 1ny9 h GLN 198 N 0.59 0.24 -0.63 0.20 5.75 0.58 0.15 115.11 121.98 1ny9 h GLN 198 Ca 0.33 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.73 1ny9 h GLN 198 Cb 0.31 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1ny9 h GLN 198 CO -0.25 0.16 0.09 0.78 -2.65 0.00 0.00 178.83 176.96 1ny9 h GLY 199 N 0.24 1.13 0.77 2.39 0.00 -0.51 0.65 103.07 107.73 1ny9 h GLY 199 Ca 0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1ny9 h GLY 199 CO -0.11 0.69 -0.34 -2.22 0.00 0.00 0.00 176.54 174.57 1ny9 h ILE 200 N 0.98 0.09 -0.76 2.60 2.04 -0.72 -2.74 117.51 119.00 1ny9 h ILE 200 Ca 0.19 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1ny9 h ILE 200 Cb 0.44 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1ny9 h ILE 200 CO 0.01 0.01 0.50 0.00 0.00 0.00 0.00 178.15 178.68 1ny9 h ALA 201 N -1.13 1.94 0.00 1.87 0.00 -0.70 0.24 119.26 121.48 1ny9 h ALA 201 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ny9 h ALA 201 Cb 0.75 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ny9 h ALA 201 CO 0.16 -0.12 -0.16 -0.09 0.00 0.00 0.00 179.25 179.04 1ny9 h ARG 202 N 0.56 0.00 0.00 0.00 2.43 -0.71 0.65 114.38 117.32 1ny9 h ARG 202 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1ny9 h ARG 202 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1ny9 h ARG 202 CO -0.13 0.16 0.00 -1.71 -1.51 0.00 0.00 179.97 176.78 1ny9 n ASN 203 N -4.17 0.29 0.00 -3.80 4.05 0.07 -4.86 115.26 106.85 1ny9 n ASN 203 Ca -0.02 0.55 0.00 0.00 0.45 0.00 0.00 54.58 55.56 1ny9 n ASN 203 Cb 0.23 -0.62 0.00 0.00 1.23 0.00 0.00 39.78 40.62 1ny9 n ASN 203 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1ny9 n HIS 204 N -1.80 0.00 0.00 1.20 -0.00 0.22 -5.13 115.22 109.70 1ny9 n HIS 204 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1ny9 n HIS 204 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 1ny9 n HIS 204 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1ny9 n TYR 205 N 0.00 0.00 -2.47 1.57 9.36 -1.20 -4.91 117.16 119.51 1ny9 n TYR 205 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ny9 n TYR 205 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ny9 n TYR 205 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1ny9 n ASP 206 N 0.00 0.00 -3.50 2.98 8.00 -1.26 -4.62 116.55 118.15 1ny9 n ASP 206 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ny9 n ASP 206 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ny9 n GLY 208 N 2.48 -1.09 0.33 0.00 0.00 -1.26 -4.82 105.19 100.82 1ny9 n GLY 208 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 0.90 0.15 1.61 0.05 -1.97 0.36 116.97 118.06 1ny9 h TYR 209 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1ny9 h TYR 209 Cb 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1ny9 h TYR 209 CO 0.00 0.24 -0.07 0.93 -1.05 0.00 0.00 178.16 178.21 1ny9 h GLU 210 N 0.72 -0.20 -0.24 4.88 5.08 -1.98 0.45 114.58 123.29 1ny9 h GLU 210 Ca 0.49 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1ny9 h GLU 210 Cb 0.68 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1ny9 h GLU 210 CO -0.35 0.08 0.06 1.98 -1.00 0.00 0.00 179.01 179.79 1ny9 h MET 211 N -0.48 0.34 -0.18 2.33 4.05 -1.71 0.14 114.93 119.41 1ny9 h MET 211 Ca -0.02 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1ny9 h MET 211 Cb 0.37 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1ny9 h MET 211 CO 0.03 0.31 -0.18 1.25 0.23 0.00 0.00 176.91 178.56 1ny9 h HIS 212 N 0.34 0.53 -0.28 1.39 6.17 0.04 -2.84 115.15 120.49 1ny9 h HIS 212 Ca 0.08 -0.16 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 1ny9 h HIS 212 Cb 0.12 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 1ny9 h HIS 212 CO 0.00 0.81 0.10 1.15 0.71 0.00 0.00 177.93 180.70 1ny9 h THR 213 N 0.10 1.12 -0.62 6.26 2.02 0.97 -1.47 112.91 121.30 1ny9 h THR 213 Ca 0.03 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ny9 h THR 213 Cb 0.72 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1ny9 h THR 213 CO 0.04 0.15 0.35 0.00 0.37 0.00 0.00 175.52 176.43 1ny9 h LEU 215 N 0.85 0.45 -1.26 0.00 4.07 -1.12 -2.46 115.31 115.84 1ny9 h LEU 215 Ca 0.22 -0.11 0.27 0.00 0.08 0.00 0.00 57.88 58.33 1ny9 h LEU 215 Cb 0.00 -0.12 -0.10 0.00 1.08 0.00 0.00 40.66 41.52 1ny9 h LEU 215 CO -0.04 0.60 0.65 1.23 -1.08 0.00 0.00 178.44 179.81 1ny9 h GLY 216 N 0.90 1.43 0.93 0.83 0.00 -0.95 0.62 103.07 106.83 1ny9 h GLY 216 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1ny9 h GLY 216 CO 0.03 -0.18 -0.29 0.83 0.00 0.00 0.00 176.54 176.93 1ny9 h GLU 217 N 0.44 -0.74 0.00 4.80 4.39 -1.48 -1.94 114.58 120.06 1ny9 h GLU 217 Ca 0.62 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.36 1ny9 h GLU 217 Cb 1.45 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1ny9 h GLU 217 CO -0.35 -0.49 -0.01 0.52 -1.16 0.00 0.00 179.01 177.51 1ny9 h MET 218 N -0.77 0.00 0.00 2.33 2.86 -1.04 4.50 114.93 122.81 1ny9 h MET 218 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1ny9 h MET 218 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1ny9 h MET 218 CO 0.09 0.01 0.00 0.66 1.06 0.00 0.00 176.91 178.73 1ny9 n TYR 219 N -4.16 0.61 0.00 -0.22 4.01 -0.39 -2.63 117.16 114.38 1ny9 n TYR 219 Ca -0.03 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1ny9 n TYR 219 Cb 0.10 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.23 1ny9 n TYR 219 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1ny9 n VAL 220 N -2.06 0.00 -1.70 -0.72 3.14 -0.09 -3.77 118.33 113.12 1ny9 n VAL 220 Ca 0.02 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.11 1ny9 n VAL 220 Cb 0.20 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.16 1ny9 n VAL 220 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ny9 s SER 221 N -2.12 2.86 -0.07 6.55 0.15 1.46 -4.66 113.70 117.87 1ny9 s SER 221 Ca 0.00 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.14 1ny9 s SER 221 Cb 0.00 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1ny9 s SER 221 CO 0.00 -2.91 0.01 0.47 1.20 0.00 0.00 173.24 172.01 1ny9 n ASP 222 N -3.93 -6.71 0.08 5.45 9.92 -1.26 -4.14 116.55 115.96 1ny9 n ASP 222 Ca 0.13 0.74 0.02 0.00 -0.53 0.00 0.00 54.79 55.15 1ny9 n ASP 222 Cb 0.60 -2.51 0.13 0.00 -0.64 0.00 0.00 41.12 38.70 1ny9 n ASP 222 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ny9 n GLU 223 N 1.39 0.04 -0.00 -1.24 0.28 -1.26 -1.67 120.64 118.16 1ny9 n GLU 223 Ca -0.02 0.38 -0.13 0.00 -0.16 0.00 0.00 57.16 57.23 1ny9 n GLU 223 Cb 0.33 -1.96 -0.09 0.00 1.43 0.00 0.00 31.44 31.15 1ny9 n GLU 223 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1ny9 h ARG 224 N 0.00 0.01 0.01 3.44 0.11 -1.95 -2.69 114.38 113.30 1ny9 h ARG 224 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1ny9 h ARG 224 Cb 0.70 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1ny9 h ARG 224 CO 0.00 0.37 -0.05 0.74 0.10 0.00 0.00 179.97 181.14 1ny9 h PHE 225 N -0.36 0.03 -0.69 4.08 0.04 -1.56 -3.27 116.94 115.22 1ny9 h PHE 225 Ca 0.00 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.87 1ny9 h PHE 225 Cb 0.37 -0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.39 1ny9 h PHE 225 CO 0.05 0.99 -0.32 1.15 -0.60 0.00 0.00 178.31 179.58 1ny9 h THR 226 N -0.93 0.15 -0.83 -1.55 2.02 -1.42 0.66 112.91 111.02 1ny9 h THR 226 Ca -0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1ny9 h THR 226 Cb 1.01 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 1ny9 h THR 226 CO 0.01 0.00 0.45 0.03 0.37 0.00 0.00 175.52 176.37 1ny9 h ARG 227 N -0.11 0.67 -0.04 6.66 2.47 -1.60 -1.64 114.38 120.79 1ny9 h ARG 227 Ca 0.27 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.86 1ny9 h ARG 227 Cb 0.56 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1ny9 h ARG 227 CO -0.75 0.44 -0.34 -0.91 0.56 0.00 0.00 179.97 178.98 1ny9 h ASN 228 N 0.69 0.37 0.86 7.04 4.21 -0.99 -3.04 115.58 124.72 1ny9 h ASN 228 Ca 0.43 -0.69 -0.04 0.00 1.21 0.00 0.00 56.30 57.21 1ny9 h ASN 228 Cb 0.52 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1ny9 h ASN 228 CO -0.31 1.00 -0.47 0.40 -1.29 0.00 0.00 177.43 176.77 1ny9 h ILE 229 N -0.24 0.05 0.00 2.81 2.04 -0.89 -2.66 117.51 118.62 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 1.02 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1ny9 h ILE 229 CO 0.07 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.55 1ny9 n ASP 230 N -5.63 0.04 -0.08 1.72 2.03 -0.63 -2.84 116.55 111.16 1ny9 n ASP 230 Ca -0.15 0.51 0.07 0.00 0.52 0.00 0.00 54.79 55.74 1ny9 n ASP 230 Cb 0.50 -0.52 0.42 0.00 -0.72 0.00 0.00 41.12 40.80 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 2.22 1.78 -0.00 -1.67 0.00 -1.34 -0.78 119.26 119.47 1ny9 h ALA 231 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ny9 h ALA 231 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ny9 h ALA 231 CO 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 1ny9 n ALA 232 N -2.48 2.45 -3.65 0.00 0.00 -1.13 -4.84 120.51 110.87 1ny9 n ALA 232 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ny9 n ALA 232 Cb 0.19 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.70 0.03 0.10 0.00 1.02 -0.30 -5.10 119.74 112.79 1ny9 s LYS 233 Ca 0.24 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 1ny9 s LYS 233 Cb 0.20 0.01 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1ny9 s LYS 233 CO 0.48 -0.00 1.16 -1.25 -0.92 0.00 0.00 175.35 174.82 1ny9 s PRO 234 N 0.44 4.49 0.00 -1.68 0.04 -1.24 -3.18 135.00 133.87 1ny9 s PRO 234 Ca 0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1ny9 s PRO 234 Cb -0.04 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1ny9 s PRO 234 CO -0.13 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1ny9 n GLY 235 N 2.78 1.94 0.21 0.56 0.00 -1.26 -4.86 105.19 104.57 1ny9 n GLY 235 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.32 0.26 0.99 8.10 -1.87 0.19 115.31 123.30 1ny9 h LEU 236 Ca 0.00 0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 1ny9 h LEU 236 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.19 1ny9 h LEU 236 CO 0.00 0.22 -0.22 0.00 -4.11 0.00 0.00 178.44 174.33 1ny9 h ALA 237 N 1.31 -0.47 -0.96 0.17 0.00 -1.82 -0.00 119.26 117.49 1ny9 h ALA 237 Ca 0.25 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1ny9 h ALA 237 Cb 0.20 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1ny9 h ALA 237 CO -0.20 -0.79 0.62 0.00 0.00 0.00 0.00 179.25 178.88 1ny9 h ALA 238 N 0.19 1.47 -0.19 0.00 0.00 -1.52 -0.19 119.26 119.01 1ny9 h ALA 238 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ny9 h ALA 238 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ny9 h ALA 238 CO -0.03 0.39 0.05 -0.92 0.00 0.00 0.00 179.25 178.74 1ny9 h TYR 239 N 1.09 0.31 -0.45 0.00 3.20 -0.06 -2.11 116.97 118.96 1ny9 h TYR 239 Ca 0.42 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.31 1ny9 h TYR 239 Cb 0.20 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1ny9 h TYR 239 CO -0.00 0.42 0.17 0.52 -1.64 0.00 0.00 178.16 177.62 1ny9 h MET 240 N 0.12 0.34 -0.65 1.82 2.86 -0.09 -0.20 114.93 119.12 1ny9 h MET 240 Ca 0.06 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.82 1ny9 h MET 240 Cb 0.26 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.74 1ny9 h MET 240 CO 0.00 0.22 0.06 -0.09 1.06 0.00 0.00 176.91 178.16 1ny9 h ARG 241 N 0.35 0.16 -0.89 1.72 1.12 -0.77 0.56 114.38 116.63 1ny9 h ARG 241 Ca 0.21 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.10 1ny9 h ARG 241 Cb 0.20 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.07 1ny9 h ARG 241 CO -0.21 0.11 0.59 -0.44 -3.11 0.00 0.00 179.97 176.91 1ny9 h ASP 242 N 0.17 0.99 -0.42 -3.80 5.19 -0.42 -2.36 116.42 115.77 1ny9 h ASP 242 Ca 0.35 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1ny9 h ASP 242 Cb 0.58 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1ny9 h ASP 242 CO -0.52 0.69 0.26 0.00 -3.12 0.00 0.00 179.24 176.56 1ny9 h ALA 243 N 1.46 0.53 0.54 3.45 0.00 0.15 -2.98 119.26 122.43 1ny9 h ALA 243 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ny9 h ALA 243 Cb -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ny9 h ALA 243 CO -0.09 0.01 -0.33 0.82 0.00 0.00 0.00 179.25 179.66 1ny9 h ILE 244 N 0.56 0.33 -0.68 0.00 1.08 -0.46 -2.75 117.51 115.58 1ny9 h ILE 244 Ca 0.15 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1ny9 h ILE 244 Cb -0.02 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 1ny9 h ILE 244 CO -0.03 0.00 0.42 -0.07 -0.69 0.00 0.00 178.15 177.78 1ny9 h LEU 245 N -0.83 0.81 -0.07 1.44 4.07 -1.58 -1.41 115.31 117.74 1ny9 h LEU 245 Ca -0.07 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ny9 h LEU 245 Cb 0.67 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1ny9 h LEU 245 CO 0.07 0.62 -0.01 0.00 -1.08 0.00 0.00 178.44 178.05 1ny9 h ALA 246 N 1.22 0.05 -0.31 1.53 0.00 -1.47 0.57 119.26 120.85 1ny9 h ALA 246 Ca 0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ny9 h ALA 246 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ny9 h ALA 246 CO -0.05 -0.48 0.18 -0.97 0.00 0.00 0.00 179.25 177.93 1ny9 h ASN 247 N 0.01 0.29 -0.20 0.00 -1.24 -1.33 -1.47 115.58 111.64 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 0.04 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 1ny9 h ASN 247 CO -0.06 0.21 0.09 0.00 -1.29 0.00 0.00 177.43 176.38 1ny9 h ALA 248 N 1.14 0.26 -0.48 1.57 0.00 -0.86 -2.79 119.26 118.10 1ny9 h ALA 248 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ny9 h ALA 248 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 248 CO -0.06 -0.17 0.23 0.28 0.00 0.00 0.00 179.25 179.53 1ny9 h VAL 249 N 0.18 0.95 0.00 0.00 2.07 0.41 2.45 116.25 122.30 1ny9 h VAL 249 Ca 0.07 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ny9 h VAL 249 Cb 0.14 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ny9 h VAL 249 CO -0.01 0.08 -0.00 0.08 0.02 0.00 0.00 177.57 177.75 1ny9 h ARG 250 N 0.46 0.00 0.00 1.57 0.11 -1.16 -3.21 114.38 112.15 1ny9 h ARG 250 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1ny9 h ARG 250 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1ny9 h ARG 250 CO -0.16 0.00 -0.77 0.72 0.10 0.00 0.00 179.97 179.87 1ny9 n HIS 251 N -3.09 0.35 -1.32 4.08 8.25 0.14 -5.10 115.22 118.54 1ny9 n HIS 251 Ca -0.02 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1ny9 n HIS 251 Cb 0.16 -0.58 -0.00 0.00 1.12 0.00 0.00 29.99 30.68 1ny9 n HIS 251 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1ny9 n THR 252 N -4.42 -1.54 1.21 1.59 5.66 0.80 -5.09 114.28 112.48 1ny9 n THR 252 Ca -0.11 0.79 0.10 0.00 -3.05 0.00 0.00 64.05 61.77 1ny9 n THR 252 Cb 0.40 -1.30 0.57 0.00 -1.55 0.00 0.00 70.33 68.45 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21