#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hko n VAL 174 N 0.00 -0.23 -0.11 1.61 0.31 -1.26 0.72 118.33 119.38 2hko n VAL 174 Ca 0.00 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2hko n VAL 174 Cb 0.00 -1.75 0.27 0.00 -0.91 0.00 0.00 33.84 31.46 2hko n VAL 174 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hko h GLU 175 N 0.00 0.76 0.00 5.55 4.39 -1.97 -1.96 114.58 121.35 2hko h GLU 175 Ca 0.36 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2hko h GLU 175 Cb 0.82 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2hko h GLU 175 CO -0.48 0.61 0.00 0.78 -1.16 0.00 0.00 179.01 178.75 2hko h GLY 176 N 0.87 0.00 0.51 -3.84 0.00 -0.13 -3.08 103.07 97.41 2hko h GLY 176 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2hko h GLY 176 CO -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.36 2hko h ALA 177 N 2.11 -0.43 -0.96 3.60 0.00 -1.32 -1.03 119.26 121.22 2hko h ALA 177 Ca 0.00 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.96 2hko h ALA 177 Cb 0.52 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 2hko h ALA 177 CO 0.00 -0.50 0.64 0.00 0.00 0.00 0.00 179.25 179.39 2hko h ALA 178 N -0.54 2.29 0.23 0.00 0.00 -1.53 -0.31 119.26 119.40 2hko h ALA 178 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hko h ALA 178 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2hko h ALA 178 CO 0.07 -0.61 -0.11 0.35 0.00 0.00 0.00 179.25 178.95 2hko h PHE 179 N 0.37 -0.28 0.00 0.00 3.57 -1.44 0.30 116.94 119.45 2hko h PHE 179 Ca 0.51 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.01 2hko h PHE 179 Cb 1.36 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.19 2hko h PHE 179 CO -0.00 0.06 0.00 0.94 -2.23 0.00 0.00 178.31 177.08 2hko n GLN 180 N -5.07 0.00 -0.23 1.11 -0.06 -0.25 -0.47 117.38 112.41 2hko n GLN 180 Ca -0.09 0.49 0.07 0.00 -2.00 0.00 0.00 57.00 55.47 2hko n GLN 180 Cb 0.25 -1.50 0.19 0.00 -4.06 0.00 0.00 30.24 25.11 2hko n GLN 180 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2hko n SER 181 N -1.49 3.18 -3.71 1.69 7.64 -0.48 -4.48 113.62 115.96 2hko n SER 181 Ca 0.00 -2.10 -0.27 0.00 1.01 0.00 0.00 58.87 57.51 2hko n SER 181 Cb 0.00 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 62.95 2hko n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hko n ARG 182 N 0.57 -6.22 -4.63 1.43 1.74 0.38 -4.97 116.66 104.95 2hko n ARG 182 Ca 0.14 0.69 -0.24 0.00 -0.77 0.00 0.00 57.85 57.68 2hko n ARG 182 Cb 0.50 -5.64 -0.14 0.00 -1.02 0.00 0.00 32.46 26.16 2hko n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2hko s LEU 183 N -7.22 2.13 0.32 0.55 1.02 0.10 -5.03 118.68 110.55 2hko s LEU 183 Ca 0.60 -0.45 -0.29 0.00 0.02 0.00 0.00 54.13 54.02 2hko s LEU 183 Cb -0.29 -0.87 -0.10 0.00 0.02 0.00 0.00 46.19 44.95 2hko s LEU 183 CO 0.74 0.15 1.30 -2.84 0.02 0.00 0.00 176.35 175.72 2hko s PRO 184 N -0.94 4.37 0.00 1.29 0.02 -1.26 -4.01 135.00 134.46 2hko s PRO 184 Ca 0.06 2.20 0.21 0.00 0.02 0.00 0.00 61.00 63.49 2hko s PRO 184 Cb -0.08 -3.08 0.60 0.00 0.02 0.00 0.00 34.50 31.96 2hko s PRO 184 CO 0.01 -0.18 1.47 -2.39 -0.33 0.00 0.00 177.00 175.58 2hko n HIS 185 N 0.92 0.33 -0.78 6.54 1.44 -1.26 -4.17 115.22 118.23 2hko n HIS 185 Ca 0.00 -0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2hko n HIS 185 Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2hko n HIS 185 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2hko n ASP 186 N 0.81 0.10 -4.41 4.39 5.75 -1.26 -4.99 116.55 116.93 2hko n ASP 186 Ca 0.17 -0.89 -0.21 0.00 -0.01 0.00 0.00 54.79 53.86 2hko n ASP 186 Cb 0.44 0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.44 2hko n ASP 186 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2hko s ARG 187 N -0.01 1.52 -0.10 0.11 0.52 -1.26 -5.07 118.95 114.67 2hko s ARG 187 Ca 0.00 -1.78 -0.02 0.00 -0.52 0.00 0.00 55.73 53.41 2hko s ARG 187 Cb 0.00 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.41 2hko s ARG 187 CO 0.00 -0.01 0.00 -1.64 0.02 0.00 0.00 175.30 173.67 2hko s MET 188 N -3.77 3.09 0.77 3.54 -1.94 -1.26 -4.64 119.30 115.09 2hko s MET 188 Ca 0.30 -0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 2hko s MET 188 Cb 0.05 -2.83 0.05 0.00 2.01 0.00 0.00 34.83 34.11 2hko s MET 188 CO 0.12 0.65 1.09 0.99 -0.01 0.00 0.00 175.02 177.85 2hko s THR 189 N -0.72 3.35 0.22 2.05 2.01 -1.26 -4.85 115.64 116.45 2hko s THR 189 Ca 0.11 0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 2hko s THR 189 Cb -0.12 -3.18 0.17 0.00 0.01 0.00 0.00 72.50 69.39 2hko s THR 189 CO 0.02 -0.57 1.76 0.28 -0.69 0.00 0.00 174.62 175.42 2hko h SER 190 N -0.99 0.37 0.06 3.53 0.02 -1.99 -1.28 113.55 113.27 2hko h SER 190 Ca -0.46 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2hko h SER 190 Cb 1.25 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2hko h SER 190 CO 0.58 0.20 -0.06 1.56 -1.14 0.00 0.00 176.83 177.98 2hko h GLN 191 N 0.52 -0.12 -1.29 3.45 4.20 -2.00 -2.27 115.11 117.60 2hko h GLN 191 Ca 0.34 0.01 0.37 0.00 0.06 0.00 0.00 58.65 59.44 2hko h GLN 191 Cb 0.41 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 2hko h GLN 191 CO -0.30 -0.08 1.00 0.93 -0.67 0.00 0.00 178.83 179.71 2hko h GLU 192 N -0.12 0.00 0.00 1.46 5.08 -1.87 1.19 114.58 120.31 2hko h GLU 192 Ca -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2hko h GLU 192 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2hko h GLU 192 CO -0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 179.01 177.35 2hko h ALA 193 N 1.22 0.80 0.03 3.43 0.00 -0.83 -1.96 119.26 121.95 2hko h ALA 193 Ca 0.61 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2hko h ALA 193 Cb 2.60 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 20.31 2hko h ALA 193 CO -0.01 0.82 -0.82 0.00 0.00 0.00 0.00 179.25 179.24 2hko h ALA 194 N 1.35 0.05 0.00 0.00 0.00 0.20 -2.48 119.26 118.37 2hko h ALA 194 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2hko h ALA 194 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hko h ALA 194 CO 0.08 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2hko n PHE 196 N -3.02 2.70 0.28 0.00 3.01 -0.74 -4.87 117.46 114.82 2hko n PHE 196 Ca 0.03 -3.22 0.14 0.00 1.01 0.00 0.00 57.45 55.42 2hko n PHE 196 Cb 0.46 -0.24 0.77 0.00 -0.01 0.00 0.00 39.48 40.45 2hko n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2hko h PRO 197 N 2.78 0.00 0.00 -1.08 0.13 -1.51 -1.61 132.00 130.71 2hko h PRO 197 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2hko h PRO 197 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2hko h PRO 197 CO 0.73 0.00 -0.00 0.38 -0.23 0.00 0.00 178.00 178.88 2hko h ASP 198 N 0.00 -0.00 0.19 1.44 2.03 -1.89 -2.99 116.42 115.19 2hko h ASP 198 Ca 0.00 -0.93 -0.03 0.00 -0.73 0.00 0.00 57.03 55.34 2hko h ASP 198 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2hko h ASP 198 CO 0.00 0.94 -0.12 0.40 -1.03 0.00 0.00 179.24 179.43 2hko h ILE 199 N -0.96 0.87 -0.15 4.15 2.04 -1.66 0.97 117.51 122.77 2hko h ILE 199 Ca -0.00 -0.45 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 2hko h ILE 199 Cb 0.93 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2hko h ILE 199 CO 0.00 0.12 -0.52 -0.29 0.00 0.00 0.00 178.15 177.46 2hko h ILE 200 N 0.00 1.33 0.00 -0.67 2.10 -1.54 -3.12 117.51 115.61 2hko h ILE 200 Ca -0.00 -1.79 0.00 0.00 1.08 0.00 0.00 64.86 64.15 2hko h ILE 200 Cb 0.25 2.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2hko h ILE 200 CO 0.02 0.55 -0.25 0.77 -1.08 0.00 0.00 178.15 178.16 2hko h SER 201 N 0.27 0.00 -4.09 2.19 4.64 -1.27 -3.45 113.55 111.84 2hko h SER 201 Ca -0.02 -0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 2hko h SER 201 Cb 1.15 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.38 2hko h SER 201 CO 0.11 0.00 0.26 -0.83 -0.87 0.00 0.00 176.83 175.50 2hko s GLY 202 N -4.22 1.61 0.00 -0.77 0.00 0.33 -5.04 107.32 99.22 2hko s GLY 202 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2hko s GLY 202 CO 0.70 0.35 0.00 -1.05 0.00 0.00 0.00 173.10 173.10 2hko n PRO 203 N -3.85 1.56 -0.03 2.90 -0.02 -1.26 -4.91 135.00 129.39 2hko n PRO 203 Ca 0.07 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.52 2hko n PRO 203 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2hko n PRO 203 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2hko n GLN 204 N -0.23 0.19 -0.23 -0.52 7.27 -1.26 -4.11 117.38 118.49 2hko n GLN 204 Ca 0.00 0.11 0.02 0.00 0.07 0.00 0.00 57.00 57.20 2hko n GLN 204 Cb 0.00 -0.88 0.06 0.00 2.41 0.00 0.00 30.24 31.83 2hko n GLN 204 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2hko n GLN 205 N -3.22 -0.10 -0.06 3.69 -0.06 -1.26 0.19 117.38 116.57 2hko n GLN 205 Ca -0.05 0.97 -0.09 0.00 -2.00 0.00 0.00 57.00 55.83 2hko n GLN 205 Cb 0.18 -1.45 -0.03 0.00 -4.06 0.00 0.00 30.24 24.89 2hko n GLN 205 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2hko h THR 206 N 0.00 0.29 0.05 1.69 2.02 -1.96 0.76 112.91 115.76 2hko h THR 206 Ca 0.26 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.47 2hko h THR 206 Cb 0.42 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2hko h THR 206 CO -0.63 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.39 2hko h GLN 207 N -0.30 -0.59 -1.10 6.66 4.20 0.19 0.42 115.11 124.58 2hko h GLN 207 Ca 0.14 0.04 0.33 0.00 0.06 0.00 0.00 58.65 59.21 2hko h GLN 207 Cb 0.52 0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.31 2hko h GLN 207 CO -0.43 -0.39 0.68 0.87 -0.67 0.00 0.00 178.83 178.89 2hko h LYS 208 N -0.61 0.29 -0.13 1.46 1.57 -0.03 0.92 116.57 120.04 2hko h LYS 208 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2hko h LYS 208 Cb 0.67 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2hko h LYS 208 CO -0.29 0.19 -0.01 0.28 -0.57 0.00 0.00 179.45 179.06 2hko h VAL 209 N 0.30 1.26 0.08 0.50 2.07 0.87 -2.19 116.25 119.14 2hko h VAL 209 Ca 0.70 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2hko h VAL 209 Cb 1.84 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 33.14 2hko h VAL 209 CO -0.44 0.25 -0.52 0.15 0.02 0.00 0.00 177.57 177.02 2hko h PHE 210 N -0.05 -1.52 -0.96 1.57 3.04 0.27 -0.62 116.94 118.67 2hko h PHE 210 Ca 0.04 0.04 0.23 0.00 3.98 0.00 0.00 57.97 62.25 2hko h PHE 210 Cb 0.38 0.65 -0.07 0.00 2.56 0.00 0.00 35.95 39.47 2hko h PHE 210 CO 0.04 -0.58 0.63 -0.07 -2.02 0.00 0.00 178.31 176.31 2hko h LEU 211 N -0.72 0.41 0.34 0.59 3.38 -0.65 0.18 115.31 118.84 2hko h LEU 211 Ca -0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2hko h LEU 211 Cb 0.74 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2hko h LEU 211 CO -0.30 0.14 -0.16 0.15 0.09 0.00 0.00 178.44 178.35 2hko h PHE 212 N 0.39 -0.42 -0.37 1.13 3.57 -0.58 0.81 116.94 121.47 2hko h PHE 212 Ca 0.51 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.08 2hko h PHE 212 Cb 1.30 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 40.10 2hko h PHE 212 CO -0.00 -0.08 -0.16 0.82 -2.23 0.00 0.00 178.31 176.66 2hko h ILE 213 N -0.85 0.50 -0.01 1.41 2.04 -0.14 0.60 117.51 121.07 2hko h ILE 213 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2hko h ILE 213 Cb 0.53 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2hko h ILE 213 CO 0.08 0.00 -0.42 -0.09 0.00 0.00 0.00 178.15 177.72 2hko h ARG 214 N -0.09 -0.55 -0.33 2.37 1.12 -0.65 0.82 114.38 117.06 2hko h ARG 214 Ca 0.18 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.12 2hko h ARG 214 Cb 0.37 0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.42 2hko h ARG 214 CO -0.43 -0.37 0.13 -0.91 -3.11 0.00 0.00 179.97 175.29 2hko h ASN 215 N -0.57 0.16 -0.05 -3.80 2.35 0.13 -2.45 115.58 111.35 2hko h ASN 215 Ca 0.05 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2hko h ASN 215 Cb 0.65 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 2hko h ASN 215 CO -0.32 0.13 -0.14 0.03 -1.65 0.00 0.00 177.43 175.47 2hko h ARG 216 N 0.28 -0.21 -0.98 0.81 2.47 0.55 -1.29 114.38 116.01 2hko h ARG 216 Ca 0.15 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 59.00 2hko h ARG 216 Cb 0.10 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 2hko h ARG 216 CO -0.14 -0.14 0.62 1.15 0.56 0.00 0.00 179.97 182.03 2hko h THR 217 N -0.21 0.91 -0.32 2.04 2.02 -0.65 0.04 112.91 116.74 2hko h THR 217 Ca 0.06 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 2hko h THR 217 Cb 0.30 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2hko h THR 217 CO -0.17 0.17 -0.37 -0.07 0.37 0.00 0.00 175.52 175.45 2hko h LEU 218 N 0.95 0.78 0.09 2.58 3.38 -1.02 -2.16 115.31 119.92 2hko h LEU 218 Ca 0.48 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2hko h LEU 218 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2hko h LEU 218 CO -0.25 1.07 -0.13 -0.61 0.09 0.00 0.00 178.44 178.61 2hko h GLN 219 N 0.61 -0.26 -0.58 1.13 4.15 0.12 0.54 115.11 120.83 2hko h GLN 219 Ca 0.06 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.59 2hko h GLN 219 Cb 0.91 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.59 2hko h GLN 219 CO 0.08 -0.17 0.19 -0.07 -1.93 0.00 0.00 178.83 176.93 2hko h LEU 220 N -0.27 0.15 -0.16 -2.39 3.38 -1.03 0.87 115.31 115.87 2hko h LEU 220 Ca 0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2hko h LEU 220 Cb 0.28 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2hko h LEU 220 CO -0.06 0.10 -0.03 -0.25 0.09 0.00 0.00 178.44 178.29 2hko h TRP 221 N 0.35 0.33 -0.18 1.13 2.91 -1.04 -2.99 115.95 116.47 2hko h TRP 221 Ca 0.29 -0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.20 2hko h TRP 221 Cb 0.37 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 2hko h TRP 221 CO -0.19 0.56 -0.10 -0.07 -1.03 0.00 0.00 178.44 177.61 2hko h LEU 222 N 0.00 0.26 -0.97 0.65 3.38 0.86 -1.92 115.31 117.58 2hko h LEU 222 Ca 0.04 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2hko h LEU 222 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2hko h LEU 222 CO 0.01 0.39 -0.21 0.44 0.09 0.00 0.00 178.44 179.17 2hko h ASP 223 N 0.26 0.51 -1.90 -0.43 3.32 0.85 -3.38 116.42 115.65 2hko h ASP 223 Ca 0.06 -0.16 -0.41 0.00 0.02 0.00 0.00 57.03 56.53 2hko h ASP 223 Cb 0.35 -0.14 -0.30 0.00 0.22 0.00 0.00 39.33 39.45 2hko h ASP 223 CO 0.02 0.72 -0.77 0.21 -1.72 0.00 0.00 179.24 177.70 2hko s ASN 224 N -6.79 0.63 -0.07 6.45 3.04 -1.01 -5.00 114.94 112.19 2hko s ASN 224 Ca -0.07 -2.28 0.04 0.00 0.04 0.00 0.00 52.86 50.59 2hko s ASN 224 Cb 0.14 0.46 0.24 0.00 -1.54 0.00 0.00 41.25 40.55 2hko s ASN 224 CO 0.79 -0.17 0.88 -0.81 -3.04 0.00 0.00 177.10 174.76 2hko n PRO 225 N 3.29 2.12 -0.08 0.43 -0.04 -0.75 -3.75 135.00 136.22 2hko n PRO 225 Ca 0.21 -0.92 0.11 0.00 -0.04 0.00 0.00 63.50 62.86 2hko n PRO 225 Cb 0.49 -1.71 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2hko n PRO 225 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2hko n LYS 226 N 0.18 2.21 -3.86 0.54 5.02 -1.26 -4.60 118.16 116.38 2hko n LYS 226 Ca 0.09 -1.98 -0.12 0.00 -2.02 0.00 0.00 58.31 54.28 2hko n LYS 226 Cb 0.54 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 2hko n LYS 226 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2hko s ILE 227 N -1.66 0.03 0.46 -0.18 -4.36 -1.25 -2.06 121.20 112.19 2hko s ILE 227 Ca 0.30 -0.22 -0.24 0.00 -0.26 0.00 0.00 60.65 60.23 2hko s ILE 227 Cb 0.20 -0.19 -0.08 0.00 1.25 0.00 0.00 42.46 43.64 2hko s ILE 227 CO 0.28 -0.12 1.32 1.67 0.24 0.00 0.00 174.94 178.33 2hko n GLN 228 N 2.62 1.92 -3.67 0.37 7.27 0.35 -4.78 117.38 121.46 2hko n GLN 228 Ca -0.15 0.69 -0.38 0.00 0.07 0.00 0.00 57.00 57.22 2hko n GLN 228 Cb 0.58 -2.48 -0.10 0.00 2.41 0.00 0.00 30.24 30.65 2hko n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2hko s LEU 229 N -2.33 5.47 0.47 1.69 2.96 -1.26 -4.92 118.68 120.76 2hko s LEU 229 Ca 0.64 -2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.41 2hko s LEU 229 Cb -0.47 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 2hko s LEU 229 CO 0.56 -0.60 0.82 0.42 -1.32 0.00 0.00 176.35 176.23 2hko s THR 230 N 1.13 4.83 0.19 3.68 -4.23 -1.26 -4.93 115.64 115.05 2hko s THR 230 Ca 0.08 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 2hko s THR 230 Cb -0.24 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 69.91 2hko s THR 230 CO -0.03 -0.77 1.69 0.15 -0.54 0.00 0.00 174.62 175.12 2hko h PHE 231 N 0.52 0.01 -0.37 3.99 3.57 -1.98 0.07 116.94 122.76 2hko h PHE 231 Ca -0.47 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.12 2hko h PHE 231 Cb 1.20 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 2hko h PHE 231 CO 0.60 -0.09 0.09 1.49 -2.23 0.00 0.00 178.31 178.17 2hko h GLU 232 N 0.14 0.22 -0.64 1.11 4.81 -2.01 -1.47 114.58 116.74 2hko h GLU 232 Ca 0.25 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2hko h GLU 232 Cb 0.37 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2hko h GLU 232 CO -0.40 0.15 0.30 0.00 -0.73 0.00 0.00 179.01 178.33 2hko h ALA 233 N 1.26 1.33 0.00 2.92 0.00 -1.67 -1.12 119.26 121.98 2hko h ALA 233 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hko h ALA 233 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2hko h ALA 233 CO -0.21 0.52 0.00 2.41 0.00 0.00 0.00 179.25 181.97 2hko n THR 234 N -4.34 0.73 -0.04 0.00 -1.04 -0.09 -3.15 114.28 106.34 2hko n THR 234 Ca 0.06 0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 62.04 2hko n THR 234 Cb 0.14 -0.95 -0.13 0.00 -1.82 0.00 0.00 70.33 67.56 2hko n THR 234 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hko n LEU 235 N -1.34 2.56 0.13 -4.42 4.77 -0.43 -4.33 117.00 113.95 2hko n LEU 235 Ca 0.06 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2hko n LEU 235 Cb 0.12 -1.05 0.19 0.00 -2.33 0.00 0.00 43.42 40.35 2hko n LEU 235 CO 0.11 0.77 0.54 -0.61 -1.33 0.00 0.00 177.39 176.88 2hko h GLN 236 N -0.15 0.00 -0.98 3.23 5.75 -1.61 -3.23 115.11 118.12 2hko h GLN 236 Ca -0.46 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2hko h GLN 236 Cb 1.88 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.43 2hko h GLN 236 CO -0.01 0.00 0.00 1.04 -2.65 0.00 0.00 178.83 177.21 2hko n GLN 237 N -2.57 1.23 -4.28 1.69 6.02 -1.19 -4.88 117.38 113.40 2hko n GLN 237 Ca 0.03 -0.20 -0.23 0.00 -0.01 0.00 0.00 57.00 56.59 2hko n GLN 237 Cb 0.49 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 2hko n GLN 237 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2hko s LEU 238 N -0.18 3.15 0.00 1.08 1.43 -1.22 -5.05 118.68 117.89 2hko s LEU 238 Ca 0.03 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 2hko s LEU 238 Cb 0.03 -1.64 0.35 0.00 0.03 0.00 0.00 46.19 44.96 2hko s LEU 238 CO 0.01 -0.07 0.91 1.21 0.23 0.00 0.00 176.35 178.64 2hko n GLU 239 N -0.93 -4.34 0.00 1.70 4.07 -1.26 -4.78 120.64 115.10 2hko n GLU 239 Ca -0.06 -1.50 0.12 0.00 -0.06 0.00 0.00 57.16 55.66 2hko n GLU 239 Cb 0.60 -1.78 0.17 0.00 -0.06 0.00 0.00 31.44 30.37 2hko n GLU 239 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hko n ALA 240 N -5.50 3.77 0.78 4.31 0.00 -1.26 -2.96 120.51 119.65 2hko n ALA 240 Ca -0.19 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 52.91 2hko n ALA 240 Cb 0.58 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 2hko n ALA 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2hko n PRO 241 N -1.35 0.81 -0.09 0.00 -0.04 -1.26 -4.50 135.00 128.56 2hko n PRO 241 Ca 0.06 -0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2hko n PRO 241 Cb 0.34 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 2hko n PRO 241 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hko n TYR 242 N -1.52 0.53 0.00 0.54 4.01 -1.26 -4.17 117.16 115.29 2hko n TYR 242 Ca 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2hko n TYR 242 Cb 0.31 -1.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 2hko n TYR 242 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2hko n ASN 243 N -3.84 0.00 -0.08 7.72 0.23 -1.15 -1.59 115.26 116.54 2hko n ASN 243 Ca -0.42 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.56 2hko n ASN 243 Cb 0.91 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.45 2hko n ASN 243 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2hko n SER 244 N -0.72 0.21 -4.42 0.53 3.41 -1.26 -4.63 113.62 106.73 2hko n SER 244 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 2hko n SER 244 Cb 0.00 1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 65.06 2hko n SER 244 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hko s ASP 245 N -5.25 7.03 0.18 4.04 -1.08 -0.62 -4.81 116.67 116.16 2hko s ASP 245 Ca -0.09 -2.94 -0.17 0.00 -0.52 0.00 0.00 52.55 48.82 2hko s ASP 245 Cb 0.07 -2.34 0.14 0.00 -1.46 0.00 0.00 42.92 39.32 2hko s ASP 245 CO 0.81 -0.68 1.63 0.71 0.52 0.00 0.00 175.17 178.16 2hko h THR 246 N 4.65 0.41 -0.05 1.71 1.35 -1.82 -2.74 112.91 116.43 2hko h THR 246 Ca 0.24 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.14 2hko h THR 246 Cb 0.91 0.41 -0.04 0.00 -1.73 0.00 0.00 68.15 67.70 2hko h THR 246 CO 1.13 0.00 -0.21 0.58 -0.25 0.00 0.00 175.52 176.77 2hko h VAL 247 N -0.08 0.50 -0.04 6.82 2.07 -1.98 -1.58 116.25 121.97 2hko h VAL 247 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2hko h VAL 247 Cb 0.43 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2hko h VAL 247 CO -0.53 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.24 2hko h LEU 248 N -0.31 -0.21 -0.48 2.57 5.85 -1.94 -0.89 115.31 119.91 2hko h LEU 248 Ca 0.07 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2hko h LEU 248 Cb 0.41 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 2hko h LEU 248 CO -0.22 -0.10 -0.20 0.58 -0.34 0.00 0.00 178.44 178.16 2hko h VAL 249 N -0.10 0.39 -0.12 1.05 2.07 -1.27 0.19 116.25 118.45 2hko h VAL 249 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2hko h VAL 249 Cb 0.16 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2hko h VAL 249 CO -0.10 0.00 -0.11 -0.74 0.02 0.00 0.00 177.57 176.64 2hko h HIS 250 N -0.09 -0.26 -0.11 1.57 -0.00 -0.83 0.61 115.15 116.03 2hko h HIS 250 Ca 0.23 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.66 2hko h HIS 250 Cb 0.44 0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 2hko h HIS 250 CO -0.47 -0.16 -0.37 0.00 -0.00 0.00 0.00 177.93 176.93 2hko h ARG 251 N -0.12 -0.44 -0.20 5.26 3.08 -0.07 0.13 114.38 122.02 2hko h ARG 251 Ca 0.08 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2hko h ARG 251 Cb 0.24 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2hko h ARG 251 CO -0.20 -0.30 -0.02 0.28 -1.07 0.00 0.00 179.97 178.67 2hko h VAL 252 N -0.46 0.84 -0.45 2.04 2.07 -0.21 -0.85 116.25 119.24 2hko h VAL 252 Ca 0.08 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2hko h VAL 252 Cb 0.59 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2hko h VAL 252 CO -0.36 0.01 0.12 -0.74 0.02 0.00 0.00 177.57 176.62 2hko h HIS 253 N 0.04 0.20 -0.57 1.57 -0.00 0.93 -0.03 115.15 117.30 2hko h HIS 253 Ca 0.09 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 2hko h HIS 253 Cb 0.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2hko h HIS 253 CO -0.19 0.04 0.15 0.66 -0.00 0.00 0.00 177.93 178.60 2hko h SER 254 N 0.26 0.85 0.00 3.26 4.64 -0.51 -0.30 113.55 121.75 2hko h SER 254 Ca 0.22 -0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2hko h SER 254 Cb 0.26 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 2hko h SER 254 CO -0.26 0.85 -0.23 0.22 -0.87 0.00 0.00 176.83 176.54 2hko h TYR 255 N 0.81 -0.62 -0.49 4.77 3.20 -0.38 0.35 116.97 124.60 2hko h TYR 255 Ca 0.18 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2hko h TYR 255 Cb 0.32 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 2hko h TYR 255 CO 0.02 -0.32 0.32 -0.07 -1.64 0.00 0.00 178.16 176.47 2hko h LEU 256 N -0.37 0.54 -0.35 2.82 3.38 -0.84 -2.39 115.31 118.12 2hko h LEU 256 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2hko h LEU 256 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2hko h LEU 256 CO -0.21 0.39 0.11 -0.08 0.09 0.00 0.00 178.44 178.74 2hko h GLU 257 N 0.65 0.54 -0.49 1.13 4.81 -0.62 -1.12 114.58 119.47 2hko h GLU 257 Ca 0.19 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2hko h GLU 257 Cb -0.05 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 2hko h GLU 257 CO -0.05 0.56 0.16 -0.09 -0.73 0.00 0.00 179.01 178.86 2hko h ARG 258 N 0.41 0.31 -0.03 1.92 9.65 -0.13 -2.42 114.38 124.09 2hko h ARG 258 Ca 0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2hko h ARG 258 Cb 0.25 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2hko h ARG 258 CO -0.00 0.21 0.00 0.72 2.80 0.00 0.00 179.97 183.69 2hko n HIS 259 N -5.03 0.04 -1.43 2.20 8.25 -0.91 -4.44 115.22 113.90 2hko n HIS 259 Ca 0.05 -0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.45 2hko n HIS 259 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 2hko n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hko n GLY 260 N 0.89 0.54 0.08 -1.41 0.00 -0.91 -4.71 105.19 99.68 2hko n GLY 260 Ca 0.16 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.47 2hko n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hko h LEU 261 N 0.00 0.00 -1.09 0.99 3.38 -1.44 -3.41 115.31 113.73 2hko h LEU 261 Ca -0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2hko h LEU 261 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2hko h LEU 261 CO 0.12 0.08 -0.04 2.30 0.09 0.00 0.00 178.44 181.00 2hko n ILE 262 N -2.27 0.01 -2.80 1.22 -5.35 -1.20 -4.97 119.36 104.00 2hko n ILE 262 Ca 0.02 -0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.42 2hko n ILE 262 Cb 0.47 0.96 0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2hko n ILE 262 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2hko n ASN 263 N -0.00 -2.89 -4.22 7.28 3.02 -1.26 -4.67 115.26 112.52 2hko n ASN 263 Ca 0.00 -3.11 -0.13 0.00 -0.03 0.00 0.00 54.58 51.32 2hko n ASN 263 Cb 0.51 1.61 -0.10 0.00 -0.61 0.00 0.00 39.78 41.20 2hko n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2hko s PHE 264 N 0.65 1.19 0.00 3.10 -0.71 -1.26 -4.91 117.98 116.03 2hko s PHE 264 Ca 0.31 -1.30 0.00 0.00 -1.04 0.00 0.00 56.93 54.91 2hko s PHE 264 Cb 0.14 -0.62 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 2hko s PHE 264 CO -0.17 -0.54 0.00 0.41 -1.34 0.00 0.00 175.22 173.58 2hko n GLY 265 N -0.28 0.46 3.12 1.99 0.00 -1.26 -4.67 105.19 104.56 2hko n GLY 265 Ca -0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 2hko n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hko s ILE 266 N 0.00 2.43 0.24 -0.61 1.01 -1.26 -5.01 121.20 117.99 2hko s ILE 266 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.31 2hko s ILE 266 Cb 0.00 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 2hko s ILE 266 CO 0.00 0.10 0.07 -0.72 0.00 0.00 0.00 174.94 174.39 2hko s TYR 267 N 1.20 1.47 -0.13 3.97 -0.85 -1.26 -4.78 117.35 116.97 2hko s TYR 267 Ca -0.04 -1.13 -0.21 0.00 -0.52 0.00 0.00 57.07 55.16 2hko s TYR 267 Cb -0.18 -0.86 -0.03 0.00 0.38 0.00 0.00 41.96 41.27 2hko s TYR 267 CO -0.06 -0.30 0.62 0.21 -1.52 0.00 0.00 175.55 174.51 2hko s LYS 268 N -4.00 4.33 0.27 -3.49 2.20 -0.88 -4.86 119.74 113.32 2hko s LYS 268 Ca 0.34 0.68 -0.23 0.00 -0.36 0.00 0.00 55.97 56.41 2hko s LYS 268 Cb 0.07 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 2hko s LYS 268 CO 0.11 -0.03 0.83 1.03 -0.36 0.00 0.00 175.35 176.94 2hko s ARG 269 N 1.18 4.41 -0.02 4.03 0.52 -1.26 -0.50 118.95 127.31 2hko s ARG 269 Ca 0.31 1.09 0.21 0.00 -0.52 0.00 0.00 55.73 56.82 2hko s ARG 269 Cb -0.16 -2.83 -0.31 0.00 0.52 0.00 0.00 34.95 32.17 2hko s ARG 269 CO 0.13 0.33 0.51 0.44 0.02 0.00 0.00 175.30 176.73 2hko n ILE 270 N 0.62 0.00 -3.89 1.52 -0.00 -1.26 -4.83 119.36 111.52 2hko n ILE 270 Ca -0.00 -0.41 -0.30 0.00 -0.00 0.00 0.00 62.75 62.04 2hko n ILE 270 Cb 0.51 0.16 -0.16 0.00 -0.00 0.00 0.00 39.64 40.14 2hko n ILE 270 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2hko s LYS 271 N -3.36 1.41 0.79 6.28 -2.85 -1.26 -5.12 119.74 115.62 2hko s LYS 271 Ca -0.06 -0.83 -0.17 0.00 -1.00 0.00 0.00 55.97 53.91 2hko s LYS 271 Cb 0.13 -2.44 -0.14 0.00 -2.06 0.00 0.00 37.83 33.32 2hko s LYS 271 CO 0.85 -0.59 -0.48 -2.30 0.10 0.00 0.00 175.35 172.93 2hko n PRO 272 N 4.77 0.00 -2.46 1.78 -0.02 -1.26 -4.89 135.00 132.92 2hko n PRO 272 Ca -0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.98 2hko n PRO 272 Cb 0.45 -1.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 2hko n PRO 272 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2hko s LEU 273 N 6.44 4.41 0.37 2.45 2.96 -1.26 -4.95 118.68 129.09 2hko s LEU 273 Ca 0.48 2.23 -0.24 0.00 -0.22 0.00 0.00 54.13 56.38 2hko s LEU 273 Cb -0.31 -3.81 -0.14 0.00 0.50 0.00 0.00 46.19 42.44 2hko s LEU 273 CO 0.75 -0.29 0.58 -0.81 -1.32 0.00 0.00 176.35 175.26 2hko n PRO 274 N 0.75 0.57 0.13 0.98 -0.04 -1.26 -4.85 135.00 131.28 2hko n PRO 274 Ca 0.01 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 2hko n PRO 274 Cb 0.46 -1.45 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 2hko n PRO 274 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2hko h THR 275 N 0.99 1.36 -2.32 0.52 1.35 -2.00 -3.44 112.91 109.36 2hko h THR 275 Ca -0.38 -1.76 -0.60 0.00 -0.55 0.00 0.00 66.41 63.12 2hko h THR 275 Cb 1.40 1.90 -0.13 0.00 -1.73 0.00 0.00 68.15 69.59 2hko h THR 275 CO 0.53 0.51 -0.73 -0.54 -0.25 0.00 0.00 175.52 175.04 2hko s LYS 276 N -3.90 1.86 -0.07 4.72 3.01 -1.26 -5.14 119.74 118.96 2hko s LYS 276 Ca -0.03 -1.63 0.01 0.00 -1.01 0.00 0.00 55.97 53.31 2hko s LYS 276 Cb 0.13 -1.91 0.02 0.00 -1.01 0.00 0.00 37.83 35.07 2hko s LYS 276 CO 0.76 0.35 -0.08 0.15 0.51 0.00 0.00 175.35 177.05 2hko s LYS 277 N -3.46 1.25 0.00 1.68 1.02 -1.26 -4.96 119.74 114.01 2hko s LYS 277 Ca 0.29 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.05 2hko s LYS 277 Cb -0.06 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2hko s LYS 277 CO 0.16 -0.09 0.00 2.41 -0.92 0.00 0.00 175.35 176.91 2hko n THR 278 N 4.18 0.00 -2.04 2.17 -1.04 -0.66 -4.70 114.28 112.19 2hko n THR 278 Ca -0.21 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.58 2hko n THR 278 Cb 0.51 -0.65 0.15 0.00 -1.82 0.00 0.00 70.33 68.52 2hko n THR 278 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hko n GLY 279 N 0.00 -0.73 2.93 3.41 0.00 -1.26 -4.82 105.19 104.72 2hko n GLY 279 Ca 0.00 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 2hko n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hko s LYS 280 N -5.19 1.52 -0.00 1.61 2.47 -1.26 -0.76 119.74 118.12 2hko s LYS 280 Ca 0.61 -0.28 0.05 0.00 -1.56 0.00 0.00 55.97 54.79 2hko s LYS 280 Cb -0.02 -1.49 -0.01 0.00 -1.46 0.00 0.00 37.83 34.84 2hko s LYS 280 CO 0.42 -0.19 -0.16 0.08 0.16 0.00 0.00 175.35 175.66 2hko s VAL 281 N 1.42 1.26 -0.14 4.02 1.01 0.20 -0.79 120.40 127.39 2hko s VAL 281 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2hko s VAL 281 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2hko s VAL 281 CO -0.05 0.30 -0.15 -0.63 0.00 0.00 0.00 175.10 174.58 2hko s ILE 282 N -0.46 2.84 -0.16 2.22 1.01 -0.27 -2.78 121.20 123.60 2hko s ILE 282 Ca 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2hko s ILE 282 Cb -0.06 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2hko s ILE 282 CO -0.00 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.78 2hko s ILE 283 N 0.54 3.74 -0.49 2.92 1.01 -0.17 -0.50 121.20 128.26 2hko s ILE 283 Ca -0.09 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 2hko s ILE 283 Cb -0.16 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.73 2hko s ILE 283 CO 0.04 0.48 0.53 -0.63 0.00 0.00 0.00 174.94 175.36 2hko s ILE 284 N 0.53 5.02 0.00 2.92 1.01 -0.38 -1.21 121.20 129.09 2hko s ILE 284 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2hko s ILE 284 Cb -0.14 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2hko s ILE 284 CO 0.03 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.89 2hko n GLY 285 N 5.18 2.83 2.49 6.18 0.00 0.14 -2.58 105.19 119.43 2hko n GLY 285 Ca -0.09 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 2hko n GLY 285 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hko n SER 286 N 0.00 7.63 -2.87 1.61 2.88 -1.26 -4.32 113.62 117.28 2hko n SER 286 Ca 0.00 -3.80 -0.12 0.00 -1.33 0.00 0.00 58.87 53.62 2hko n SER 286 Cb 0.00 -1.00 0.08 0.00 -0.75 0.00 0.00 64.21 62.54 2hko n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hko n GLY 287 N -0.81 -0.74 0.28 0.46 0.00 -1.26 -0.99 105.19 102.11 2hko n GLY 287 Ca 0.60 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 2hko n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hko h VAL 288 N -1.09 1.23 -0.27 1.61 2.07 -1.94 0.39 116.25 118.24 2hko h VAL 288 Ca -0.17 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.26 2hko h VAL 288 Cb 0.50 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2hko h VAL 288 CO 0.13 0.32 -0.44 0.77 0.02 0.00 0.00 177.57 178.38 2hko h SER 289 N 0.62 0.74 0.72 0.57 4.64 -1.91 -0.88 113.55 118.05 2hko h SER 289 Ca 0.12 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2hko h SER 289 Cb 0.42 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2hko h SER 289 CO 0.02 1.08 -0.35 1.23 -0.87 0.00 0.00 176.83 177.94 2hko h GLY 290 N 0.95 -1.01 0.56 -0.77 0.00 -1.61 -2.29 103.07 98.90 2hko h GLY 290 Ca 0.04 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.82 2hko h GLY 290 CO 0.09 -0.37 0.41 1.41 0.00 0.00 0.00 176.54 178.08 2hko h LEU 291 N -1.20 0.58 0.03 3.11 3.38 -0.99 -0.15 115.31 120.07 2hko h LEU 291 Ca -0.10 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hko h LEU 291 Cb 0.76 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2hko h LEU 291 CO 0.16 0.34 -0.16 0.00 0.09 0.00 0.00 178.44 178.88 2hko h ALA 292 N 1.42 -0.21 -0.32 1.53 0.00 -1.15 -0.39 119.26 120.13 2hko h ALA 292 Ca 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2hko h ALA 292 Cb 0.31 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2hko h ALA 292 CO -0.23 -0.66 0.02 0.00 0.00 0.00 0.00 179.25 178.38 2hko h ALA 293 N 0.63 0.43 -0.43 0.00 0.00 -1.09 -2.39 119.26 116.41 2hko h ALA 293 Ca 0.04 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2hko h ALA 293 Cb 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2hko h ALA 293 CO -0.13 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.43 2hko h ALA 294 N 0.86 0.51 -0.90 0.00 0.00 -0.89 0.92 119.26 119.77 2hko h ALA 294 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2hko h ALA 294 Cb 0.41 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2hko h ALA 294 CO 0.01 -0.25 0.59 -0.09 0.00 0.00 0.00 179.25 179.51 2hko h ARG 295 N 0.31 1.01 0.10 0.00 2.43 -0.95 0.94 114.38 118.21 2hko h ARG 295 Ca 0.20 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2hko h ARG 295 Cb 0.20 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2hko h ARG 295 CO -0.22 0.67 -0.05 1.96 -1.51 0.00 0.00 179.97 180.83 2hko h GLN 296 N 1.04 -0.13 -1.00 0.20 1.08 -0.73 -2.97 115.11 112.61 2hko h GLN 296 Ca 0.38 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.71 2hko h GLN 296 Cb 0.17 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.54 2hko h GLN 296 CO -0.14 0.31 0.63 -0.07 -0.95 0.00 0.00 178.83 178.61 2hko h LEU 297 N -0.61 0.93 -0.96 1.46 3.38 -0.49 -1.14 115.31 117.88 2hko h LEU 297 Ca -0.01 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2hko h LEU 297 Cb 0.49 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2hko h LEU 297 CO 0.02 0.50 0.37 -0.61 0.09 0.00 0.00 178.44 178.81 2hko h GLN 298 N 1.00 1.12 0.00 1.13 4.15 -0.82 -0.79 115.11 120.90 2hko h GLN 298 Ca 0.49 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.75 2hko h GLN 298 Cb 0.47 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2hko h GLN 298 CO -0.26 0.86 0.00 0.66 -1.93 0.00 0.00 178.83 178.16 2hko h SER 299 N 1.11 0.00 -0.01 -0.69 4.64 -1.15 -2.64 113.55 114.81 2hko h SER 299 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2hko h SER 299 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2hko h SER 299 CO -0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 2hko n PHE 300 N -2.77 0.01 -0.69 4.77 3.72 -0.52 -4.89 117.46 117.09 2hko n PHE 300 Ca 0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2hko n PHE 300 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2hko n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hko n GLY 301 N 1.04 0.60 3.96 1.37 0.00 -1.00 -4.95 105.19 106.21 2hko n GLY 301 Ca 0.22 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2hko n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hko s MET 302 N -1.04 2.91 -0.32 1.61 -1.94 -0.37 -1.65 119.30 118.50 2hko s MET 302 Ca 0.00 -0.60 -0.13 0.00 -1.71 0.00 0.00 55.69 53.24 2hko s MET 302 Cb 0.00 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 2hko s MET 302 CO 0.00 -0.39 0.29 0.34 -0.01 0.00 0.00 175.02 175.25 2hko s ASP 303 N -4.28 6.11 0.09 3.03 -1.08 0.07 -4.40 116.67 116.21 2hko s ASP 303 Ca 0.51 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.44 2hko s ASP 303 Cb -0.10 -2.16 -0.03 0.00 -1.46 0.00 0.00 42.92 39.16 2hko s ASP 303 CO 0.38 -0.22 -0.25 -0.69 0.52 0.00 0.00 175.17 174.91 2hko s VAL 304 N 1.87 2.02 -0.02 1.11 1.01 -1.26 -0.63 120.40 124.50 2hko s VAL 304 Ca 0.09 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.51 2hko s VAL 304 Cb -0.17 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2hko s VAL 304 CO 0.11 0.16 0.12 -0.89 0.00 0.00 0.00 175.10 174.60 2hko s THR 305 N -0.96 0.04 -0.05 3.92 2.01 -1.12 -4.40 115.64 115.09 2hko s THR 305 Ca 0.11 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2hko s THR 305 Cb -0.10 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 2hko s THR 305 CO 0.04 -0.19 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.81 2hko s LEU 306 N -0.61 1.99 -0.21 4.42 1.02 0.15 -1.00 118.68 124.44 2hko s LEU 306 Ca -0.07 -0.43 -0.04 0.00 0.02 0.00 0.00 54.13 53.61 2hko s LEU 306 Cb -0.04 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.98 2hko s LEU 306 CO 0.01 0.19 -0.04 -0.76 0.02 0.00 0.00 176.35 175.77 2hko s LEU 307 N -0.03 2.97 -0.10 1.79 1.43 -0.35 0.65 118.68 125.04 2hko s LEU 307 Ca -0.05 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2hko s LEU 307 Cb -0.13 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2hko s LEU 307 CO 0.03 0.01 -0.19 -0.70 0.23 0.00 0.00 176.35 175.73 2hko s GLU 308 N 1.31 2.52 0.28 1.70 2.56 0.14 -0.69 118.70 126.53 2hko s GLU 308 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 54.97 54.35 2hko s GLU 308 Cb -0.14 -2.02 0.41 0.00 2.00 0.00 0.00 34.13 34.37 2hko s GLU 308 CO -0.01 0.04 1.71 0.00 -0.56 0.00 0.00 175.26 176.44 2hko h ALA 309 N 7.08 1.09 -3.75 6.30 0.00 -1.81 0.35 119.26 128.52 2hko h ALA 309 Ca -0.27 -0.35 -0.41 0.00 0.00 0.00 0.00 54.91 53.87 2hko h ALA 309 Cb 1.20 -0.12 0.18 0.00 0.00 0.00 0.00 17.79 19.05 2hko h ALA 309 CO 0.49 0.56 0.35 0.54 0.00 0.00 0.00 179.25 181.20 2hko n ARG 310 N -4.11 -1.63 -0.68 0.00 1.74 -1.26 -3.72 116.66 107.00 2hko n ARG 310 Ca -0.01 -1.95 0.08 0.00 -0.77 0.00 0.00 57.85 55.21 2hko n ARG 310 Cb 0.42 -1.39 0.34 0.00 -1.02 0.00 0.00 32.46 30.81 2hko n ARG 310 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2hko n ASP 311 N -4.03 4.89 -3.79 0.55 5.75 -1.26 0.40 116.55 119.06 2hko n ASP 311 Ca 0.16 -2.83 -0.09 0.00 -0.01 0.00 0.00 54.79 52.02 2hko n ASP 311 Cb 0.57 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 2hko n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hko s ARG 312 N -2.55 1.72 0.42 0.11 1.70 -1.26 -4.93 118.95 114.16 2hko s ARG 312 Ca 0.49 -1.23 0.06 0.00 -0.47 0.00 0.00 55.73 54.58 2hko s ARG 312 Cb 0.37 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 35.33 2hko s ARG 312 CO 0.15 -0.75 0.49 1.33 -1.08 0.00 0.00 175.30 175.44 2hko n VAL 313 N -0.44 0.00 0.00 4.99 0.24 -1.26 -4.72 118.33 117.14 2hko n VAL 313 Ca -0.03 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 2hko n VAL 313 Cb 0.61 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2hko n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hko n GLY 314 N -0.12 2.87 7.00 7.63 0.00 -0.17 -4.95 105.19 117.46 2hko n GLY 314 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2hko n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hko n GLY 315 N 0.00 1.55 0.30 -0.02 0.00 -1.26 -3.18 105.19 102.58 2hko n GLY 315 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2hko n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hko n ARG 316 N 0.00 1.38 -3.91 1.61 1.74 -1.26 -4.22 116.66 112.00 2hko n ARG 316 Ca 0.00 -0.59 -0.33 0.00 -0.77 0.00 0.00 57.85 56.16 2hko n ARG 316 Cb 0.00 -1.15 -0.13 0.00 -1.02 0.00 0.00 32.46 30.16 2hko n ARG 316 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hko s VAL 317 N -1.79 2.75 -0.03 1.55 0.11 -1.19 -1.91 120.40 119.89 2hko s VAL 317 Ca 0.13 -2.52 0.04 0.00 -2.93 0.00 0.00 61.98 56.69 2hko s VAL 317 Cb 0.07 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 2hko s VAL 317 CO 0.09 -0.69 -0.14 0.00 -3.33 0.00 0.00 175.10 171.03 2hko s ALA 318 N 0.63 2.70 -0.11 1.54 0.00 -1.26 -4.64 121.76 120.62 2hko s ALA 318 Ca 0.12 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2hko s ALA 318 Cb -0.21 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 21.96 2hko s ALA 318 CO -0.05 0.56 -0.12 0.99 0.00 0.00 0.00 175.76 177.14 2hko s THR 319 N -0.78 1.30 0.10 0.00 2.01 -1.26 -1.69 115.64 115.31 2hko s THR 319 Ca 0.12 -0.50 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 2hko s THR 319 Cb -0.11 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 2hko s THR 319 CO 0.02 0.41 0.73 0.12 -0.69 0.00 0.00 174.62 175.21 2hko s PHE 320 N 1.30 3.81 -0.25 4.92 5.36 0.34 -4.90 117.98 128.55 2hko s PHE 320 Ca -0.01 1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 57.43 2hko s PHE 320 Cb -0.14 -2.74 0.14 0.00 -0.34 0.00 0.00 43.02 39.94 2hko s PHE 320 CO -0.05 0.42 0.44 0.50 -1.46 0.00 0.00 175.22 175.07 2hko s ARG 321 N -0.65 0.40 0.01 10.12 3.52 -1.26 -0.36 118.95 130.73 2hko s ARG 321 Ca 0.36 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.68 2hko s ARG 321 Cb -0.21 -0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.05 2hko s ARG 321 CO 0.23 -0.59 -0.03 0.21 -0.81 0.00 0.00 175.30 174.31 2hko s LYS 322 N 2.64 0.28 1.76 5.12 2.20 -0.39 -4.99 119.74 126.34 2hko s LYS 322 Ca 0.13 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2hko s LYS 322 Cb -0.15 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 2hko s LYS 322 CO -0.17 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2hko n GLY 323 N 2.38 1.95 0.25 5.54 0.00 -1.26 0.81 105.19 114.87 2hko n GLY 323 Ca -0.17 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.70 2hko n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hko n ASN 324 N -0.48 0.76 -4.79 1.61 3.02 -1.26 -4.87 115.26 109.24 2hko n ASN 324 Ca 0.00 -1.55 -0.39 0.00 -0.03 0.00 0.00 54.58 52.61 2hko n ASN 324 Cb 0.00 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 2hko n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2hko s TYR 325 N -1.91 3.85 -0.21 3.10 2.02 0.24 -5.07 117.35 119.37 2hko s TYR 325 Ca 0.30 1.48 -0.11 0.00 -0.37 0.00 0.00 57.07 58.37 2hko s TYR 325 Cb 0.15 -2.65 0.07 0.00 -0.40 0.00 0.00 41.96 39.13 2hko s TYR 325 CO 0.24 0.53 0.50 0.14 -1.57 0.00 0.00 175.55 175.38 2hko s VAL 326 N -1.17 -0.17 0.06 0.71 -7.23 -1.26 -1.27 120.40 110.08 2hko s VAL 326 Ca 0.34 0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.49 2hko s VAL 326 Cb -0.21 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 35.99 2hko s VAL 326 CO 0.23 0.03 0.19 0.00 -0.31 0.00 0.00 175.10 175.24 2hko s ALA 327 N 1.74 -0.29 -0.40 1.32 0.00 0.52 -4.97 121.76 119.68 2hko s ALA 327 Ca -0.08 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 2hko s ALA 327 Cb -0.08 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2hko s ALA 327 CO -0.15 -0.42 0.26 -0.51 0.00 0.00 0.00 175.76 174.94 2hko s ASP 328 N -2.42 5.94 0.11 0.00 1.01 -1.26 0.13 116.67 120.18 2hko s ASP 328 Ca -0.01 -0.99 0.27 0.00 0.71 0.00 0.00 52.55 52.53 2hko s ASP 328 Cb 0.02 -2.10 0.95 0.00 1.01 0.00 0.00 42.92 42.80 2hko s ASP 328 CO -0.07 -0.44 1.80 0.18 0.21 0.00 0.00 175.17 176.86 2hko n LEU 329 N 5.08 0.47 0.00 1.23 4.77 -0.68 -4.79 117.00 123.08 2hko n LEU 329 Ca -0.11 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2hko n LEU 329 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2hko n LEU 329 CO 0.39 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2hko n GLY 330 N 1.39 1.83 3.62 -0.72 0.00 -1.17 -4.85 105.19 105.29 2hko n GLY 330 Ca 0.06 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 2hko n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hko n ALA 331 N -3.00 0.23 0.00 4.61 0.00 -0.80 -4.86 120.51 116.68 2hko n ALA 331 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2hko n ALA 331 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2hko n ALA 331 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2hko n MET 332 N 1.33 1.32 -4.40 0.00 1.56 -1.26 -4.77 117.12 110.90 2hko n MET 332 Ca 0.11 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 57.29 2hko n MET 332 Cb 0.31 -0.77 -0.11 0.00 2.15 0.00 0.00 33.22 34.79 2hko n MET 332 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2hko s VAL 333 N -1.54 2.18 -0.31 1.12 -7.23 -1.26 -3.47 120.40 109.89 2hko s VAL 333 Ca 0.00 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 2hko s VAL 333 Cb 0.00 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2hko s VAL 333 CO 0.00 -0.19 0.14 -0.69 -0.31 0.00 0.00 175.10 174.05 2hko s VAL 334 N -1.83 4.47 -1.37 1.32 1.01 -0.81 -4.96 120.40 118.22 2hko s VAL 334 Ca 0.19 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2hko s VAL 334 Cb -0.07 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2hko s VAL 334 CO 0.09 0.04 2.24 0.35 0.00 0.00 0.00 175.10 177.82 2hko n THR 335 N 4.96 3.28 0.00 3.92 -2.24 -1.26 -0.88 114.28 122.06 2hko n THR 335 Ca -0.14 -2.77 0.00 0.00 -2.27 0.00 0.00 64.05 58.87 2hko n THR 335 Cb 0.49 -2.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 2hko n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hko n GLY 336 N 4.11 -1.82 0.00 3.38 0.00 -1.25 -4.22 105.19 105.39 2hko n GLY 336 Ca 0.54 -1.46 0.04 0.00 0.00 0.00 0.00 46.02 45.14 2hko n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hko n LEU 337 N -1.44 0.38 -4.56 0.99 4.77 -1.25 -4.58 117.00 111.31 2hko n LEU 337 Ca 0.00 -0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 55.29 2hko n LEU 337 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2hko n LEU 337 CO 0.00 0.09 1.40 -0.83 -1.33 0.00 0.00 177.39 176.72 2hko s GLY 338 N -1.83 -0.50 0.00 -0.72 0.00 -0.57 -1.17 107.32 102.54 2hko s GLY 338 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2hko s GLY 338 CO 0.34 4.02 0.00 0.61 0.00 0.00 0.00 173.10 178.07 2hko n GLY 339 N 6.63 0.75 3.56 0.20 0.00 -1.26 -2.88 105.19 112.18 2hko n GLY 339 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2hko n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hko s ASN 340 N -2.52 6.39 0.62 1.61 3.84 -0.31 -4.59 114.94 119.98 2hko s ASN 340 Ca 0.00 0.02 0.29 0.00 0.21 0.00 0.00 52.86 53.38 2hko s ASN 340 Cb 0.00 -2.31 1.54 0.00 -0.55 0.00 0.00 41.25 39.92 2hko s ASN 340 CO 0.00 -0.61 1.91 1.55 -2.79 0.00 0.00 177.10 177.16 2hko h PRO 341 N 8.54 0.00 0.00 0.43 0.13 -1.87 0.44 132.00 139.67 2hko h PRO 341 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2hko h PRO 341 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2hko h PRO 341 CO 0.83 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.27 2hko n MET 342 N -3.35 0.11 -0.02 0.86 2.81 -1.26 -0.96 117.12 115.31 2hko n MET 342 Ca 0.03 0.61 -0.13 0.00 -1.81 0.00 0.00 57.70 56.40 2hko n MET 342 Cb 0.52 -1.87 -0.09 0.00 -0.71 0.00 0.00 33.22 31.08 2hko n MET 342 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hko h ALA 343 N 2.01 0.08 0.93 3.04 0.00 -0.43 0.15 119.26 125.04 2hko h ALA 343 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2hko h ALA 343 Cb 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hko h ALA 343 CO 0.00 -0.17 -0.45 0.28 0.00 0.00 0.00 179.25 178.91 2hko h VAL 344 N -0.29 0.03 -1.00 0.00 2.07 -1.23 -2.67 116.25 113.17 2hko h VAL 344 Ca 0.01 -0.07 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2hko h VAL 344 Cb 0.48 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 2hko h VAL 344 CO 0.01 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.79 2hko h VAL 345 N -1.31 0.65 -0.25 2.57 2.07 -1.51 -1.39 116.25 117.08 2hko h VAL 345 Ca -0.13 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.20 2hko h VAL 345 Cb 0.96 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2hko h VAL 345 CO 0.21 0.12 0.04 -1.28 0.02 0.00 0.00 177.57 176.68 2hko h SER 346 N 0.68 -0.01 0.89 0.57 0.87 -0.50 -0.84 113.55 115.21 2hko h SER 346 Ca 0.59 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 2hko h SER 346 Cb 1.03 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2hko h SER 346 CO -0.38 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.24 2hko n LYS 347 N -5.10 0.22 -0.01 2.24 5.02 -0.58 -2.29 118.16 117.66 2hko n LYS 347 Ca -0.01 0.39 -0.21 0.00 -2.02 0.00 0.00 58.31 56.45 2hko n LYS 347 Cb 0.11 -1.88 -0.13 0.00 -0.02 0.00 0.00 35.03 33.11 2hko n LYS 347 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2hko h GLN 348 N 0.00 0.20 0.00 1.97 4.20 -0.73 -3.36 115.11 117.40 2hko h GLN 348 Ca 0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2hko h GLN 348 Cb 0.45 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2hko h GLN 348 CO 0.00 1.17 -0.09 0.28 -0.67 0.00 0.00 178.83 179.52 2hko n VAL 349 N -3.99 0.50 -2.72 -0.54 0.31 -0.42 -4.97 118.33 106.51 2hko n VAL 349 Ca -0.26 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 2hko n VAL 349 Cb 0.86 -0.51 0.01 0.00 -0.91 0.00 0.00 33.84 33.29 2hko n VAL 349 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2hko n ASN 350 N -2.17 -7.49 -4.47 4.52 2.85 -0.99 -5.01 115.26 102.50 2hko n ASN 350 Ca 0.05 0.65 -0.34 0.00 -0.11 0.00 0.00 54.58 54.83 2hko n ASN 350 Cb 0.42 -5.04 -0.12 0.00 1.24 0.00 0.00 39.78 36.28 2hko n ASN 350 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2hko s MET 351 N -2.30 3.62 -0.67 1.20 -2.45 -0.97 -5.07 119.30 112.66 2hko s MET 351 Ca 0.19 -0.54 -0.19 0.00 -1.25 0.00 0.00 55.69 53.89 2hko s MET 351 Cb -0.05 -2.91 0.11 0.00 1.25 0.00 0.00 34.83 33.22 2hko s MET 351 CO 0.71 0.19 0.82 -1.21 1.05 0.00 0.00 175.02 176.58 2hko s GLU 352 N 0.50 3.18 -0.06 4.11 0.41 -1.26 -4.93 118.70 120.66 2hko s GLU 352 Ca -0.04 -1.38 -0.14 0.00 -0.41 0.00 0.00 54.97 53.00 2hko s GLU 352 Cb -0.14 -4.37 -0.05 0.00 -1.78 0.00 0.00 34.13 27.78 2hko s GLU 352 CO 0.03 -1.61 0.36 -0.51 -0.49 0.00 0.00 175.26 173.04 2hko s LEU 353 N 2.76 4.40 -0.07 1.80 1.43 -1.26 -2.53 118.68 125.22 2hko s LEU 353 Ca 0.17 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2hko s LEU 353 Cb -0.19 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2hko s LEU 353 CO 0.03 0.26 -0.10 0.00 0.23 0.00 0.00 176.35 176.78 2hko s ALA 354 N -0.61 1.18 0.75 4.21 0.00 -0.89 -4.88 121.76 121.52 2hko s ALA 354 Ca 0.22 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 2hko s ALA 354 Cb -0.15 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.39 2hko s ALA 354 CO 0.10 -0.04 1.18 0.15 0.00 0.00 0.00 175.76 177.15 2hko s LYS 355 N 0.97 2.09 -0.24 0.00 1.02 -1.26 -1.13 119.74 121.19 2hko s LYS 355 Ca -0.09 1.65 -0.07 0.00 0.02 0.00 0.00 55.97 57.48 2hko s LYS 355 Cb -0.15 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 2hko s LYS 355 CO 0.00 -1.85 0.06 0.42 -0.92 0.00 0.00 175.35 173.05 2hko s ILE 356 N -2.17 4.24 0.14 2.17 1.01 -0.98 -4.86 121.20 120.75 2hko s ILE 356 Ca 0.72 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.85 2hko s ILE 356 Cb -0.26 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 2hko s ILE 356 CO 0.47 0.36 1.62 -0.54 0.00 0.00 0.00 174.94 176.85 2hko s LYS 357 N 1.47 4.20 -1.30 2.79 1.02 -1.26 -4.83 119.74 121.82 2hko s LYS 357 Ca 0.06 2.39 -0.18 0.00 0.02 0.00 0.00 55.97 58.25 2hko s LYS 357 Cb -0.15 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2hko s LYS 357 CO 0.03 -0.67 1.86 0.94 -0.92 0.00 0.00 175.35 176.59 2hko n GLN 358 N 4.53 2.92 -3.47 1.68 7.27 -1.26 -4.74 117.38 124.31 2hko n GLN 358 Ca 0.15 -3.02 0.01 0.00 0.07 0.00 0.00 57.00 54.20 2hko n GLN 358 Cb 0.39 -3.47 -0.03 0.00 2.41 0.00 0.00 30.24 29.54 2hko n GLN 358 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2hko s LYS 359 N 4.29 0.49 -0.28 3.69 2.47 -1.26 -5.14 119.74 123.99 2hko s LYS 359 Ca 0.54 1.15 -0.03 0.00 -1.56 0.00 0.00 55.97 56.08 2hko s LYS 359 Cb 0.06 0.69 0.09 0.00 -1.46 0.00 0.00 37.83 37.21 2hko s LYS 359 CO 0.05 -0.26 0.11 0.00 0.16 0.00 0.00 175.35 175.42 2hko s PRO 361 N 1.89 4.40 -0.29 0.00 0.04 -1.26 -4.72 135.00 135.05 2hko s PRO 361 Ca 0.08 1.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2hko s PRO 361 Cb -0.17 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 2hko s PRO 361 CO -0.29 -0.33 0.35 -0.51 0.04 0.00 0.00 177.00 176.26 2hko s LEU 362 N 1.32 4.16 0.08 -3.56 1.43 -1.26 -2.05 118.68 118.80 2hko s LEU 362 Ca 0.59 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2hko s LEU 362 Cb -0.30 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2hko s LEU 362 CO 0.28 -0.22 0.19 -0.31 0.23 0.00 0.00 176.35 176.53 2hko s TYR 363 N 2.02 3.43 0.32 0.29 1.51 -0.81 -2.42 117.35 121.69 2hko s TYR 363 Ca 0.13 0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.32 2hko s TYR 363 Cb -0.16 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2hko s TYR 363 CO 0.11 0.56 0.60 -1.21 -1.11 0.00 0.00 175.55 174.50 2hko s GLU 364 N -2.63 3.64 0.60 -0.62 2.02 1.06 -1.63 118.70 121.14 2hko s GLU 364 Ca 0.34 0.07 0.29 0.00 0.02 0.00 0.00 54.97 55.68 2hko s GLU 364 Cb -0.12 -2.59 1.17 0.00 0.10 0.00 0.00 34.13 32.69 2hko s GLU 364 CO 0.27 0.15 1.54 0.00 0.02 0.00 0.00 175.26 177.23 2hko h ALA 365 N 1.47 2.73 0.00 5.21 0.00 -1.82 0.54 119.26 127.39 2hko h ALA 365 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2hko h ALA 365 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hko h ALA 365 CO 0.65 -1.41 -0.18 0.27 0.00 0.00 0.00 179.25 178.58 2hko n ASN 366 N -3.45 0.72 0.00 0.00 0.23 -1.26 -4.90 115.26 106.60 2hko n ASN 366 Ca 0.19 0.42 0.00 0.00 -0.53 0.00 0.00 54.58 54.66 2hko n ASN 366 Cb 1.24 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2hko n ASN 366 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hko n GLY 367 N 1.34 1.35 3.43 4.83 0.00 0.19 -4.94 105.19 111.39 2hko n GLY 367 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 2hko n GLY 367 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hko s GLN 368 N 0.00 1.64 0.91 1.61 -1.52 -1.18 -3.55 119.66 117.57 2hko s GLN 368 Ca 0.00 -1.92 -0.13 0.00 -1.95 0.00 0.00 55.36 51.35 2hko s GLN 368 Cb 0.00 -0.69 0.14 0.00 -0.22 0.00 0.00 33.01 32.24 2hko s GLN 368 CO 0.00 -0.26 1.18 0.00 -0.25 0.00 0.00 175.29 175.96 2hko s ALA 369 N -3.39 2.06 -0.20 6.09 0.00 -1.26 0.34 121.76 125.41 2hko s ALA 369 Ca 0.35 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2hko s ALA 369 Cb 0.08 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2hko s ALA 369 CO 0.15 -2.21 0.01 0.08 0.00 0.00 0.00 175.76 173.79 2hko s VAL 370 N -3.47 4.04 0.00 0.00 1.01 -1.02 -4.72 120.40 116.24 2hko s VAL 370 Ca 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2hko s VAL 370 Cb -0.11 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2hko s VAL 370 CO 0.52 0.43 0.34 -2.65 0.00 0.00 0.00 175.10 173.75 2hko n PRO 371 N 4.16 0.00 0.00 2.72 -0.02 -1.26 -4.89 135.00 135.71 2hko n PRO 371 Ca -0.17 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2hko n PRO 371 Cb 0.52 -0.73 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 2hko n PRO 371 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2hko n LYS 372 N -0.78 0.00 -0.02 -0.52 4.81 -1.26 -4.92 118.16 115.46 2hko n LYS 372 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2hko n LYS 372 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 2hko n LYS 372 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2hko h GLU 373 N 0.00 0.12 -0.95 1.64 4.57 -1.97 0.20 114.58 118.19 2hko h GLU 373 Ca 0.00 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 2hko h GLU 373 Cb 0.00 -0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 28.41 2hko h GLU 373 CO 0.00 0.08 -0.39 1.63 -1.18 0.00 0.00 179.01 179.15 2hko n LYS 374 N -5.06 -0.24 -0.11 1.92 4.76 -1.26 0.23 118.16 118.41 2hko n LYS 374 Ca -0.04 1.47 -0.11 0.00 -2.87 0.00 0.00 58.31 56.76 2hko n LYS 374 Cb 0.06 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 2hko n LYS 374 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2hko h ASP 375 N 0.00 0.57 -0.22 4.39 1.82 -1.74 -2.04 116.42 119.21 2hko h ASP 375 Ca 0.32 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 2hko h ASP 375 Cb 0.56 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2hko h ASP 375 CO -0.94 0.77 -0.05 -0.08 -1.61 0.00 0.00 179.24 177.32 2hko h GLU 376 N 0.36 0.55 0.05 0.28 4.81 0.29 0.34 114.58 121.27 2hko h GLU 376 Ca 0.09 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2hko h GLU 376 Cb 0.49 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2hko h GLU 376 CO 0.02 0.61 -0.03 1.98 -0.73 0.00 0.00 179.01 180.87 2hko h MET 377 N 0.52 -0.07 0.62 1.92 4.05 0.30 -2.51 114.93 119.76 2hko h MET 377 Ca 0.10 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 2hko h MET 377 Cb 0.41 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2hko h MET 377 CO 0.02 0.44 -0.30 0.28 0.23 0.00 0.00 176.91 177.58 2hko h VAL 378 N -0.62 0.32 -1.09 -5.77 2.07 -1.29 0.18 116.25 110.04 2hko h VAL 378 Ca -0.01 -0.20 0.30 0.00 0.82 0.00 0.00 66.70 67.61 2hko h VAL 378 Cb 0.54 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 2hko h VAL 378 CO 0.01 0.03 0.72 -0.08 0.02 0.00 0.00 177.57 178.26 2hko h GLU 379 N -0.98 0.28 0.27 1.57 4.81 -1.05 1.40 114.58 120.88 2hko h GLU 379 Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2hko h GLU 379 Cb 0.68 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2hko h GLU 379 CO 0.14 0.19 -0.13 0.37 -0.73 0.00 0.00 179.01 178.85 2hko h GLN 380 N 0.29 -0.35 -0.52 1.92 4.15 -0.96 -1.74 115.11 117.90 2hko h GLN 380 Ca 0.61 0.02 0.09 0.00 0.77 0.00 0.00 58.65 60.14 2hko h GLN 380 Cb 1.75 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 29.44 2hko h GLN 380 CO -0.26 -0.06 0.13 0.93 -1.93 0.00 0.00 178.83 177.64 2hko h GLU 381 N -0.63 0.27 0.03 1.69 4.39 0.44 -1.39 114.58 119.37 2hko h GLU 381 Ca -0.04 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2hko h GLU 381 Cb 0.45 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2hko h GLU 381 CO 0.06 0.18 -0.47 0.35 -1.16 0.00 0.00 179.01 177.97 2hko h PHE 382 N 0.27 -1.34 0.09 4.33 3.57 0.13 0.94 116.94 124.94 2hko h PHE 382 Ca 0.26 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.82 2hko h PHE 382 Cb 0.35 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2hko h PHE 382 CO -0.21 -0.54 -0.45 -0.91 -2.23 0.00 0.00 178.31 173.97 2hko h ASN 383 N -0.64 -1.35 -0.85 0.41 2.35 -0.57 0.12 115.58 115.05 2hko h ASN 383 Ca 0.03 0.14 0.15 0.00 -0.55 0.00 0.00 56.30 56.07 2hko h ASN 383 Cb 0.69 0.50 -0.09 0.00 0.05 0.00 0.00 38.32 39.47 2hko h ASN 383 CO -0.32 -0.47 0.43 0.08 -1.65 0.00 0.00 177.43 175.50 2hko h ARG 384 N -0.63 0.60 0.56 0.81 0.11 -1.14 0.20 114.38 114.87 2hko h ARG 384 Ca -0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2hko h ARG 384 Cb 0.64 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 2hko h ARG 384 CO -0.25 0.40 -0.34 -0.07 0.10 0.00 0.00 179.97 179.81 2hko h LEU 385 N 0.62 -0.85 -1.92 0.08 3.38 -0.13 -1.58 115.31 114.90 2hko h LEU 385 Ca 0.46 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.58 2hko h LEU 385 Cb 0.66 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2hko h LEU 385 CO -0.37 -0.53 0.28 0.25 0.09 0.00 0.00 178.44 178.17 2hko h LEU 386 N -0.85 0.09 -0.43 1.67 5.85 0.15 -0.38 115.31 121.41 2hko h LEU 386 Ca -0.07 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2hko h LEU 386 Cb 0.69 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2hko h LEU 386 CO 0.07 0.05 0.07 -0.33 -0.34 0.00 0.00 178.44 177.96 2hko h GLU 387 N 0.10 0.71 0.40 1.25 5.08 0.00 -2.88 114.58 119.24 2hko h GLU 387 Ca 0.19 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2hko h GLU 387 Cb 0.63 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2hko h GLU 387 CO -0.02 0.74 -0.46 0.00 -1.00 0.00 0.00 179.01 178.27 2hko h ALA 388 N 0.94 -0.99 -0.82 3.43 0.00 -0.12 -0.76 119.26 120.93 2hko h ALA 388 Ca 0.13 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.13 2hko h ALA 388 Cb 0.37 0.68 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2hko h ALA 388 CO 0.01 -1.10 0.07 2.41 0.00 0.00 0.00 179.25 180.64 2hko n THR 389 N -5.53 -0.34 0.03 0.00 -1.04 -0.98 0.12 114.28 106.54 2hko n THR 389 Ca -0.11 1.78 -0.13 0.00 -2.04 0.00 0.00 64.05 63.55 2hko n THR 389 Cb 0.43 -2.64 -0.09 0.00 -1.82 0.00 0.00 70.33 66.22 2hko n THR 389 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hko h SER 390 N 0.00 -0.06 -0.80 8.00 0.02 -1.07 -2.96 113.55 116.67 2hko h SER 390 Ca 0.52 -0.30 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 2hko h SER 390 Cb 1.13 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 2hko h SER 390 CO -0.75 0.27 0.42 0.22 -1.14 0.00 0.00 176.83 175.85 2hko h TYR 391 N -0.39 0.74 -0.38 3.45 3.20 0.23 -2.25 116.97 121.56 2hko h TYR 391 Ca -0.01 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2hko h TYR 391 Cb 0.35 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2hko h TYR 391 CO 0.03 0.23 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.55 2hko h LEU 392 N 0.65 0.70 0.00 2.82 3.38 -0.98 -2.79 115.31 119.10 2hko h LEU 392 Ca 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2hko h LEU 392 Cb 0.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2hko h LEU 392 CO -0.31 0.87 0.00 -0.24 0.09 0.00 0.00 178.44 178.85 2hko n SER 393 N -4.15 0.00 0.40 -0.43 2.88 -0.87 -1.64 113.62 109.81 2hko n SER 393 Ca 0.01 0.42 -0.17 0.00 -1.33 0.00 0.00 58.87 57.80 2hko n SER 393 Cb 0.38 -0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 2hko n SER 393 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2hko h HIS 394 N 0.00 -1.08 0.00 0.66 3.86 -1.68 0.98 115.15 117.89 2hko h HIS 394 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2hko h HIS 394 Cb 0.00 0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2hko h HIS 394 CO 0.04 -0.63 -0.05 1.96 0.86 0.00 0.00 177.93 180.11 2hko h GLN 395 N -1.07 0.00 0.00 2.45 1.08 -1.68 -3.28 115.11 112.61 2hko h GLN 395 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2hko h GLN 395 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2hko h GLN 395 CO 0.14 0.05 0.00 1.28 -0.95 0.00 0.00 178.83 179.34 2hko n LEU 396 N -3.56 0.81 -1.38 1.46 4.77 -1.11 -5.00 117.00 112.98 2hko n LEU 396 Ca -0.02 -0.83 -0.15 0.00 -0.03 0.00 0.00 56.01 54.98 2hko n LEU 396 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2hko n LEU 396 CO 0.27 0.20 -0.16 0.47 -1.33 0.00 0.00 177.39 176.84 2hko n ASP 397 N -0.03 -4.70 -4.02 -1.43 8.00 0.33 -4.93 116.55 109.78 2hko n ASP 397 Ca 0.00 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 2hko n ASP 397 Cb 0.04 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 2hko n ASP 397 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2hko n PHE 398 N -3.17 3.66 -1.05 1.24 7.35 -0.65 -4.41 117.46 120.42 2hko n PHE 398 Ca -0.16 -2.95 0.00 0.00 -0.76 0.00 0.00 57.45 53.58 2hko n PHE 398 Cb 0.55 -2.23 0.00 0.00 0.35 0.00 0.00 39.48 38.16 2hko n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2hko n ASN 399 N 5.27 0.00 -3.48 -2.13 4.13 -1.26 -4.49 115.26 113.30 2hko n ASN 399 Ca 0.43 -1.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.42 2hko n ASN 399 Cb 0.39 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.52 2hko n ASN 399 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hko s VAL 400 N 0.00 0.59 -0.34 2.41 1.01 -1.26 -0.88 120.40 121.93 2hko s VAL 400 Ca 0.00 -2.55 -0.10 0.00 0.00 0.00 0.00 61.98 59.33 2hko s VAL 400 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2hko s VAL 400 CO 0.00 -1.13 0.17 -0.22 0.00 0.00 0.00 175.10 173.92 2hko s LEU 401 N 0.20 4.39 -0.90 3.92 2.96 -0.37 -4.59 118.68 124.29 2hko s LEU 401 Ca 0.27 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2hko s LEU 401 Cb -0.06 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 2hko s LEU 401 CO -0.13 -0.29 0.76 0.59 -1.32 0.00 0.00 176.35 175.96 2hko n ASN 402 N 4.97 -2.75 -3.68 3.68 3.02 -1.26 -3.08 115.26 116.16 2hko n ASN 402 Ca -0.13 -0.49 -0.28 0.00 -0.03 0.00 0.00 54.58 53.65 2hko n ASN 402 Cb 0.47 -4.09 0.02 0.00 -0.61 0.00 0.00 39.78 35.57 2hko n ASN 402 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2hko n ASN 403 N -2.68 -4.58 -3.82 6.41 5.15 -1.26 -4.97 115.26 109.50 2hko n ASN 403 Ca -0.19 -0.63 -0.12 0.00 -0.60 0.00 0.00 54.58 53.04 2hko n ASN 403 Cb 0.62 -3.70 -0.11 0.00 -0.53 0.00 0.00 39.78 36.07 2hko n ASN 403 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2hko s LYS 404 N -6.37 0.37 0.16 1.20 1.02 -1.18 -5.14 119.74 109.79 2hko s LYS 404 Ca 0.56 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 2hko s LYS 404 Cb -0.28 0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.12 2hko s LYS 404 CO 0.69 -0.07 1.21 -1.25 -0.92 0.00 0.00 175.35 175.01 2hko s PRO 405 N -0.53 4.47 0.31 -1.68 0.04 -1.26 -1.24 135.00 135.11 2hko s PRO 405 Ca -0.06 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2hko s PRO 405 Cb -0.04 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2hko s PRO 405 CO 0.01 -0.14 1.20 0.08 0.04 0.00 0.00 177.00 178.19 2hko s VAL 406 N 0.22 3.12 0.42 -0.36 1.01 -0.05 -4.87 120.40 119.88 2hko s VAL 406 Ca 0.55 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.68 2hko s VAL 406 Cb -0.32 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2hko s VAL 406 CO 0.35 0.26 0.60 -0.55 0.00 0.00 0.00 175.10 175.76 2hko s SER 407 N -0.71 5.80 0.00 3.32 0.15 -1.26 -2.89 113.70 118.11 2hko s SER 407 Ca 0.47 0.02 -0.23 0.00 0.70 0.00 0.00 55.95 56.91 2hko s SER 407 Cb -0.35 -1.28 -0.18 0.00 -1.71 0.00 0.00 66.02 62.50 2hko s SER 407 CO 0.46 -0.66 1.27 0.25 1.20 0.00 0.00 173.24 175.77 2hko h LEU 408 N 0.56 0.21 -0.85 3.45 5.85 -1.24 -2.66 115.31 120.64 2hko h LEU 408 Ca -0.45 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 57.87 2hko h LEU 408 Cb 1.26 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 2hko h LEU 408 CO 0.54 0.69 0.47 1.23 -0.34 0.00 0.00 178.44 181.03 2hko h GLY 409 N -0.26 1.36 0.32 3.75 0.00 -1.72 0.56 103.07 107.08 2hko h GLY 409 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2hko h GLY 409 CO 0.02 0.05 -0.30 1.46 0.00 0.00 0.00 176.54 177.77 2hko h GLN 410 N 0.72 -0.59 -0.96 4.80 4.20 -1.82 -1.96 115.11 119.50 2hko h GLN 410 Ca 0.44 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.36 2hko h GLN 410 Cb 0.53 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.35 2hko h GLN 410 CO -0.31 -0.39 0.61 0.00 -0.67 0.00 0.00 178.83 178.07 2hko h ALA 411 N -1.27 1.78 0.00 3.87 0.00 -1.09 0.51 119.26 123.06 2hko h ALA 411 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2hko h ALA 411 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hko h ALA 411 CO -0.03 -0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.04 2hko h LEU 412 N 0.73 0.00 0.13 0.00 3.38 -0.55 -0.55 115.31 118.44 2hko h LEU 412 Ca 0.52 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.13 2hko h LEU 412 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2hko h LEU 412 CO -0.28 0.03 -1.94 -0.33 0.09 0.00 0.00 178.44 176.00 2hko h GLU 413 N 0.00 0.27 0.57 1.13 5.08 0.70 -2.97 114.58 119.35 2hko h GLU 413 Ca -0.00 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2hko h GLU 413 Cb 0.26 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2hko h GLU 413 CO 0.00 1.18 -0.48 0.28 -1.00 0.00 0.00 179.01 179.00 2hko h VAL 414 N 0.07 0.00 0.00 3.13 2.07 -0.58 -2.22 116.25 118.73 2hko h VAL 414 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2hko h VAL 414 Cb 2.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2hko h VAL 414 CO 0.10 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.21 2hko n VAL 415 N -5.38 0.00 -0.35 2.57 0.31 -0.25 -1.67 118.33 113.56 2hko n VAL 415 Ca -0.12 1.48 0.27 0.00 -0.01 0.00 0.00 64.34 65.96 2hko n VAL 415 Cb 0.45 -2.07 0.52 0.00 -0.91 0.00 0.00 33.84 31.83 2hko n VAL 415 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2hko h ILE 416 N 0.00 0.26 -0.28 2.52 2.04 -1.54 0.44 117.51 120.96 2hko h ILE 416 Ca 0.00 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2hko h ILE 416 Cb 0.00 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 2hko h ILE 416 CO 0.00 0.05 0.13 1.56 0.00 0.00 0.00 178.15 179.89 2hko h GLN 417 N 0.26 0.41 0.00 2.37 4.20 -0.67 0.31 115.11 121.99 2hko h GLN 417 Ca 0.75 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.39 2hko h GLN 417 Cb 1.87 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.58 2hko h GLN 417 CO -0.56 0.40 -0.04 -0.07 -0.67 0.00 0.00 178.83 177.89 2hko h LEU 418 N 0.32 0.00 0.00 1.46 3.38 -0.50 0.34 115.31 120.31 2hko h LEU 418 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 2hko h LEU 418 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2hko h LEU 418 CO -0.01 0.04 -1.35 1.56 0.09 0.00 0.00 178.44 178.76 2hko h GLN 419 N 0.00 0.00 -0.05 1.13 1.08 -0.78 -2.29 115.11 114.20 2hko h GLN 419 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2hko h GLN 419 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2hko h GLN 419 CO 0.01 0.54 -0.59 0.93 -0.95 0.00 0.00 178.83 178.76 2hko h GLU 420 N 0.00 0.16 -0.08 1.46 5.08 0.12 -3.00 114.58 118.32 2hko h GLU 420 Ca -0.17 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2hko h GLU 420 Cb 1.78 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2hko h GLU 420 CO 0.08 0.71 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.25 2hko h LYS 421 N 0.12 0.36 -0.75 2.33 1.63 -0.42 -2.87 116.57 116.98 2hko h LYS 421 Ca -0.01 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.58 2hko h LYS 421 Cb 1.08 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 2hko h LYS 421 CO 0.09 0.92 0.49 1.25 -3.45 0.00 0.00 179.45 178.74 2hko h HIS 422 N -0.11 0.79 -0.09 1.91 2.76 -1.39 -1.71 115.15 117.31 2hko h HIS 422 Ca -0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2hko h HIS 422 Cb 0.96 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2hko h HIS 422 CO 0.12 0.41 0.03 0.28 -1.30 0.00 0.00 177.93 177.47 2hko h VAL 423 N 0.77 1.16 -0.16 5.26 2.07 -1.49 -2.43 116.25 121.43 2hko h VAL 423 Ca 0.33 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2hko h VAL 423 Cb 0.28 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2hko h VAL 423 CO -0.11 0.14 -0.13 0.11 0.02 0.00 0.00 177.57 177.59 2hko h LYS 424 N -0.03 -0.14 -0.27 1.57 1.57 -1.11 -1.25 116.57 116.90 2hko h LYS 424 Ca 0.03 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2hko h LYS 424 Cb 0.19 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2hko h LYS 424 CO -0.00 -0.10 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.15 2hko h ASP 425 N -0.15 -0.63 -0.49 0.86 3.32 -1.29 -0.98 116.42 117.07 2hko h ASP 425 Ca 0.10 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 2hko h ASP 425 Cb 0.30 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2hko h ASP 425 CO -0.25 -0.23 0.30 -0.33 -1.72 0.00 0.00 179.24 177.01 2hko h GLU 426 N -0.18 0.67 0.00 3.56 5.08 -1.11 0.20 114.58 122.81 2hko h GLU 426 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hko h GLU 426 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2hko h GLU 426 CO -0.37 0.47 0.00 0.37 -1.00 0.00 0.00 179.01 178.47 2hko h GLN 427 N 0.68 0.00 0.02 2.33 4.15 -0.10 -1.95 115.11 120.24 2hko h GLN 427 Ca 0.18 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.26 2hko h GLN 427 Cb -0.03 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2hko h GLN 427 CO -0.03 0.00 -1.89 -0.89 -1.93 0.00 0.00 178.83 174.08 2hko n ILE 428 N -2.35 1.56 -0.32 2.39 5.41 0.19 -2.70 119.36 123.55 2hko n ILE 428 Ca 0.03 -0.28 0.05 0.00 1.00 0.00 0.00 62.75 63.55 2hko n ILE 428 Cb 0.29 -1.89 0.24 0.00 -0.71 0.00 0.00 39.64 37.57 2hko n ILE 428 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2hko h GLU 429 N -0.76 0.99 0.53 0.38 3.07 -0.71 0.36 114.58 118.44 2hko h GLU 429 Ca -0.50 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.28 2hko h GLU 429 Cb 1.56 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 29.26 2hko h GLU 429 CO -0.23 0.65 -0.26 1.25 -1.40 0.00 0.00 179.01 179.03 2hko h HIS 430 N 1.02 -0.66 -1.00 4.33 2.76 -1.51 -2.24 115.15 117.84 2hko h HIS 430 Ca 0.41 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.73 2hko h HIS 430 Cb 0.27 0.22 -0.10 0.00 1.55 0.00 0.00 27.41 29.36 2hko h HIS 430 CO -0.00 -0.36 0.62 2.35 -1.30 0.00 0.00 177.93 179.24 2hko h TRP 431 N -0.87 1.10 0.60 5.26 2.91 -1.10 -0.98 115.95 122.86 2hko h TRP 431 Ca -0.07 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 2hko h TRP 431 Cb 0.61 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2hko h TRP 431 CO -0.01 0.34 -0.33 0.87 -1.03 0.00 0.00 178.44 178.28 2hko h LYS 432 N 0.87 -0.82 -0.15 2.65 1.57 -0.12 -0.71 116.57 119.85 2hko h LYS 432 Ca 0.54 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.42 2hko h LYS 432 Cb 0.71 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 2hko h LYS 432 CO -0.32 -0.55 -0.24 0.87 -0.57 0.00 0.00 179.45 178.64 2hko h LYS 433 N -0.85 -0.28 -0.74 3.15 1.57 -0.77 0.17 116.57 118.82 2hko h LYS 433 Ca -0.08 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.87 2hko h LYS 433 Cb 0.68 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.95 2hko h LYS 433 CO 0.10 -0.19 0.22 0.82 -0.57 0.00 0.00 179.45 179.84 2hko h ILE 434 N -0.29 0.57 0.62 1.86 2.04 -1.10 -1.02 117.51 120.18 2hko h ILE 434 Ca 0.11 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2hko h ILE 434 Cb 0.45 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2hko h ILE 434 CO -0.32 0.06 -0.30 0.58 0.00 0.00 0.00 178.15 178.18 2hko h VAL 435 N 0.33 0.34 -0.45 1.67 2.07 0.38 -2.55 116.25 118.04 2hko h VAL 435 Ca 0.41 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.86 2hko h VAL 435 Cb 0.67 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 2hko h VAL 435 CO -0.46 0.02 -0.17 0.50 0.02 0.00 0.00 177.57 177.48 2hko h LYS 436 N -0.95 -0.06 -0.92 1.57 3.64 -0.22 -0.32 116.57 119.30 2hko h LYS 436 Ca -0.08 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2hko h LYS 436 Cb 0.67 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 2hko h LYS 436 CO 0.14 -0.04 0.59 1.15 -2.27 0.00 0.00 179.45 179.02 2hko h THR 437 N -0.07 0.95 -0.45 1.00 2.02 -1.20 0.00 112.91 115.16 2hko h THR 437 Ca 0.22 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2hko h THR 437 Cb 0.40 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2hko h THR 437 CO -0.50 0.17 -0.04 1.56 0.37 0.00 0.00 175.52 177.07 2hko h GLN 438 N 0.91 0.77 -0.03 6.66 4.20 -0.65 -1.63 115.11 125.35 2hko h GLN 438 Ca 0.44 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 2hko h GLN 438 Cb 0.45 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2hko h GLN 438 CO -0.20 0.81 -0.56 0.93 -0.67 0.00 0.00 178.83 179.14 2hko h GLU 439 N 0.71 0.08 -0.01 1.46 5.08 -0.16 -2.50 114.58 119.25 2hko h GLU 439 Ca 0.13 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2hko h GLU 439 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2hko h GLU 439 CO 0.03 0.61 -0.74 0.93 -1.00 0.00 0.00 179.01 178.84 2hko h GLU 440 N 0.06 0.05 -0.11 2.33 5.08 -0.69 -1.59 114.58 119.71 2hko h GLU 440 Ca -0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2hko h GLU 440 Cb 1.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2hko h GLU 440 CO 0.08 0.77 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.33 2hko h LEU 441 N 0.03 0.29 0.12 1.33 3.38 -1.11 -2.36 115.31 117.00 2hko h LEU 441 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2hko h LEU 441 Cb 1.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2hko h LEU 441 CO 0.10 0.71 -0.06 0.11 0.09 0.00 0.00 178.44 179.39 2hko h LYS 442 N 0.22 -0.16 0.00 1.13 1.57 -1.23 -1.09 116.57 117.01 2hko h LYS 442 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2hko h LYS 442 Cb 0.89 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2hko h LYS 442 CO 0.07 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 2hko n GLU 443 N -4.98 0.10 -0.13 3.15 1.02 -0.62 -1.52 120.64 117.67 2hko n GLU 443 Ca -0.09 0.22 -0.22 0.00 -0.02 0.00 0.00 57.16 57.05 2hko n GLU 443 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 2hko n GLU 443 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2hko n LEU 444 N -1.29 2.58 -0.08 -4.62 7.94 -0.89 -3.56 117.00 117.08 2hko n LEU 444 Ca 0.03 0.03 0.08 0.00 -1.11 0.00 0.00 56.01 55.05 2hko n LEU 444 Cb 0.06 -0.85 0.44 0.00 0.53 0.00 0.00 43.42 43.60 2hko n LEU 444 CO 0.06 0.79 1.19 -0.07 -1.11 0.00 0.00 177.39 178.24 2hko h LEU 445 N -0.35 0.47 0.24 -1.96 3.38 -0.57 0.13 115.31 116.64 2hko h LEU 445 Ca -0.61 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2hko h LEU 445 Cb 1.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2hko h LEU 445 CO -0.21 0.31 -0.11 -1.13 0.09 0.00 0.00 178.44 177.39 2hko h ASN 446 N 0.54 -0.27 -0.55 -0.43 -1.24 -1.45 0.42 115.58 112.60 2hko h ASN 446 Ca 0.24 -0.18 0.07 0.00 0.71 0.00 0.00 56.30 57.14 2hko h ASN 446 Cb 0.28 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 2hko h ASN 446 CO -0.07 0.04 0.37 0.11 -1.29 0.00 0.00 177.43 176.59 2hko h LYS 447 N -0.61 0.46 0.37 6.67 1.57 -1.34 0.54 116.57 124.24 2hko h LYS 447 Ca -0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2hko h LYS 447 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2hko h LYS 447 CO 0.05 0.31 -0.18 0.52 -0.57 0.00 0.00 179.45 179.58 2hko h MET 448 N 0.48 -0.47 -1.04 3.15 2.86 -0.65 -1.64 114.93 117.61 2hko h MET 448 Ca 0.24 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 58.19 2hko h MET 448 Cb 0.35 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.00 2hko h MET 448 CO -0.07 -0.19 0.65 0.28 1.06 0.00 0.00 176.91 178.65 2hko h VAL 449 N -1.02 0.49 0.00 -2.22 2.07 -0.42 0.36 116.25 115.52 2hko h VAL 449 Ca -0.05 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2hko h VAL 449 Cb 0.50 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2hko h VAL 449 CO 0.08 0.08 -0.34 -1.13 0.02 0.00 0.00 177.57 176.28 2hko h ASN 450 N 0.43 0.00 0.22 0.57 -0.73 -0.91 -3.22 115.58 111.94 2hko h ASN 450 Ca 0.63 -0.08 -0.31 0.00 1.87 0.00 0.00 56.30 58.41 2hko h ASN 450 Cb 1.49 0.00 0.03 0.00 0.27 0.00 0.00 38.32 40.11 2hko h ASN 450 CO -0.38 0.04 -1.39 0.25 -0.37 0.00 0.00 177.43 175.58 2hko h LEU 451 N 0.00 0.72 -1.67 0.34 5.85 0.66 -3.24 115.31 117.97 2hko h LEU 451 Ca 0.00 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 57.77 2hko h LEU 451 Cb 0.81 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2hko h LEU 451 CO 0.00 1.66 -0.02 0.11 -0.34 0.00 0.00 178.44 179.85 2hko h LYS 452 N 0.01 0.18 -0.85 1.25 1.57 -1.28 0.11 116.57 117.58 2hko h LYS 452 Ca -0.25 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2hko h LYS 452 Cb 2.04 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.26 2hko h LYS 452 CO 0.23 0.22 0.55 0.93 -0.57 0.00 0.00 179.45 180.81 2hko h GLU 453 N 0.18 0.96 0.06 3.15 5.08 -1.58 0.88 114.58 123.32 2hko h GLU 453 Ca 0.04 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 2hko h GLU 453 Cb 0.16 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.21 2hko h GLU 453 CO 0.00 0.64 -1.00 0.87 -1.00 0.00 0.00 179.01 178.52 2hko h LYS 454 N 0.99 0.57 0.88 2.33 1.57 -1.09 -3.00 116.57 118.81 2hko h LYS 454 Ca 0.35 -0.69 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2hko h LYS 454 Cb 0.13 0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2hko h LYS 454 CO -0.12 1.29 -0.42 0.82 -0.57 0.00 0.00 179.45 180.45 2hko h ILE 455 N 0.16 0.00 -1.10 1.86 1.08 0.08 -2.62 117.51 116.97 2hko h ILE 455 Ca -0.14 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.65 2hko h ILE 455 Cb 1.69 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.32 2hko h ILE 455 CO 0.19 0.00 0.69 0.50 -0.69 0.00 0.00 178.15 178.84 2hko h LYS 456 N -1.18 0.31 0.00 2.37 3.64 0.62 0.54 116.57 122.87 2hko h LYS 456 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2hko h LYS 456 Cb 0.91 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2hko h LYS 456 CO 0.20 0.21 -0.07 1.49 -2.27 0.00 0.00 179.45 179.01 2hko h GLU 457 N 0.32 0.00 0.00 1.90 4.81 -1.33 -2.58 114.58 117.71 2hko h GLU 457 Ca 0.69 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.80 2hko h GLU 457 Cb 1.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 2hko h GLU 457 CO -0.41 0.07 -0.95 -0.07 -0.73 0.00 0.00 179.01 176.92 2hko h LEU 458 N 0.00 0.00 -0.05 1.64 3.38 0.39 -2.96 115.31 117.71 2hko h LEU 458 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hko h LEU 458 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2hko h LEU 458 CO 0.01 0.46 -0.04 1.41 0.09 0.00 0.00 178.44 180.37 2hko n HIS 459 N -3.01 0.00 -0.00 1.13 8.25 -0.99 0.62 115.22 121.21 2hko n HIS 459 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.25 2hko n HIS 459 Cb 0.75 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 31.43 2hko n HIS 459 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hko n GLN 460 N -1.26 0.72 -0.05 -0.41 6.02 -1.08 -3.93 117.38 117.39 2hko n GLN 460 Ca 0.13 0.27 -0.14 0.00 -0.01 0.00 0.00 57.00 57.25 2hko n GLN 460 Cb 0.27 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 29.67 2hko n GLN 460 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2hko h GLN 461 N 0.05 0.01 -0.93 -1.09 4.15 -1.32 -3.29 115.11 112.69 2hko h GLN 461 Ca -0.39 -0.02 0.27 0.00 0.77 0.00 0.00 58.65 59.28 2hko h GLN 461 Cb 2.03 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.69 2hko h GLN 461 CO 0.08 0.85 0.66 -0.92 -1.93 0.00 0.00 178.83 177.58 2hko h TYR 462 N -0.82 0.01 0.01 3.99 3.20 -0.01 -0.90 116.97 122.45 2hko h TYR 462 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 2hko h TYR 462 Cb 0.87 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 2hko h TYR 462 CO 0.22 0.00 -0.88 0.87 -1.64 0.00 0.00 178.16 176.73 2hko h LYS 463 N 0.01 0.14 -0.43 1.82 1.57 -1.68 -3.18 116.57 114.82 2hko h LYS 463 Ca 0.44 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2hko h LYS 463 Cb 1.76 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.10 2hko h LYS 463 CO -0.01 0.93 0.10 0.93 -0.57 0.00 0.00 179.45 180.83 2hko h GLU 464 N 0.07 0.69 -6.88 3.15 5.08 -1.25 -3.52 114.58 111.93 2hko h GLU 464 Ca -0.04 -0.17 -0.54 0.00 -1.00 0.00 0.00 59.36 57.61 2hko h GLU 464 Cb 1.52 -0.09 0.19 0.00 0.50 0.00 0.00 28.75 30.88 2hko h GLU 464 CO 0.13 0.70 -0.19 0.00 -1.00 0.00 0.00 179.01 178.65 2hko n ALA 465 N -2.36 -1.28 -0.33 3.43 0.00 -1.12 -5.16 120.51 113.70 2hko n ALA 465 Ca 0.00 -0.37 0.25 0.00 0.00 0.00 0.00 53.44 53.33 2hko n ALA 465 Cb 0.21 -1.98 0.55 0.00 0.00 0.00 0.00 19.45 18.24 2hko n ALA 465 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2hko h ILE 474 N -0.86 0.48 -0.34 0.00 2.04 -2.04 -3.49 117.51 113.30 2hko h ILE 474 Ca -0.45 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2hko h ILE 474 Cb 1.31 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2hko h ILE 474 CO 0.42 0.06 0.00 0.41 0.00 0.00 0.00 178.15 179.03 2hko n THR 475 N -4.57 0.77 0.04 -0.27 -1.04 -1.26 -1.54 114.28 106.41 2hko n THR 475 Ca 0.26 -0.55 0.03 0.00 -2.04 0.00 0.00 64.05 61.75 2hko n THR 475 Cb 0.97 0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 69.46 2hko n THR 475 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hko n ALA 476 N 0.48 2.33 0.02 2.41 0.00 -1.26 -3.25 120.51 121.23 2hko n ALA 476 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.43 2hko n ALA 476 Cb 0.44 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 2hko n ALA 476 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hko n GLU 477 N -1.64 0.63 0.00 0.00 4.07 -1.08 -2.55 120.64 120.07 2hko n GLU 477 Ca -0.01 0.12 0.10 0.00 -0.06 0.00 0.00 57.16 57.31 2hko n GLU 477 Cb 0.16 -1.73 -0.10 0.00 -0.06 0.00 0.00 31.44 29.71 2hko n GLU 477 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2hko n PHE 478 N -2.75 0.00 -0.08 4.31 7.35 -0.59 -3.55 117.46 122.15 2hko n PHE 478 Ca -0.10 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.38 2hko n PHE 478 Cb 0.80 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.51 2hko n PHE 478 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2hko h LEU 479 N 0.42 0.06 -1.52 -2.13 5.85 -1.64 -3.05 115.31 113.29 2hko h LEU 479 Ca 0.00 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2hko h LEU 479 Cb 0.54 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2hko h LEU 479 CO 0.00 1.43 0.21 1.62 -0.34 0.00 0.00 178.44 181.36 2hko h VAL 480 N -0.87 1.13 -0.04 1.05 3.04 -1.67 0.14 116.25 119.03 2hko h VAL 480 Ca -0.28 -0.32 -0.15 0.00 -1.01 0.00 0.00 66.70 64.94 2hko h VAL 480 Cb 1.33 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 2hko h VAL 480 CO -0.13 0.14 -0.66 0.50 -1.01 0.00 0.00 177.57 176.41 2hko h LYS 481 N 0.54 0.16 0.00 4.17 3.64 -1.69 -2.60 116.57 120.79 2hko h LYS 481 Ca 0.14 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2hko h LYS 481 Cb 0.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2hko h LYS 481 CO -0.02 0.76 -0.00 0.77 -2.27 0.00 0.00 179.45 178.68 2hko h SER 482 N 0.11 -0.00 -0.92 4.20 0.02 -1.09 -1.07 113.55 114.80 2hko h SER 482 Ca -0.01 -0.91 0.03 0.00 -0.84 0.00 0.00 61.79 60.06 2hko h SER 482 Cb 1.18 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 2hko h SER 482 CO 0.10 0.91 0.60 0.11 -1.14 0.00 0.00 176.83 177.41 2hko h LYS 483 N -0.92 1.13 0.00 3.45 1.79 -0.87 0.76 116.57 121.91 2hko h LYS 483 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2hko h LYS 483 Cb 0.91 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2hko h LYS 483 CO 0.00 0.75 0.00 1.25 -1.08 0.00 0.00 179.45 180.37 2hko h HIS 484 N 1.16 0.00 0.00 -1.35 2.76 -1.57 0.59 115.15 116.74 2hko h HIS 484 Ca 0.37 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.42 2hko h HIS 484 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2hko h HIS 484 CO -0.01 0.00 -0.54 -0.09 -1.30 0.00 0.00 177.93 175.99 2hko h ARG 485 N 0.00 0.00 0.01 5.26 2.43 0.12 -3.13 114.38 119.07 2hko h ARG 485 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2hko h ARG 485 Cb 0.71 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2hko h ARG 485 CO 0.00 0.54 -1.66 -0.25 -1.51 0.00 0.00 179.97 177.08 2hko n ASP 486 N -3.26 1.90 0.27 -3.80 8.00 0.22 -4.03 116.55 115.86 2hko n ASP 486 Ca 0.02 0.38 0.14 0.00 0.71 0.00 0.00 54.79 56.03 2hko n ASP 486 Cb 0.74 -0.91 0.74 0.00 -0.02 0.00 0.00 41.12 41.67 2hko n ASP 486 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2hko h LEU 487 N -0.91 0.00 -0.82 0.64 6.46 0.04 1.59 115.31 122.31 2hko h LEU 487 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2hko h LEU 487 Cb 1.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 2hko h LEU 487 CO -0.25 0.00 -0.28 0.41 -0.62 0.00 0.00 178.44 177.70 2hko n THR 488 N -2.63 0.00 -0.08 1.05 -1.04 -1.18 -2.87 114.28 107.52 2hko n THR 488 Ca -0.02 -0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 2hko n THR 488 Cb 0.27 0.77 -0.12 0.00 -1.82 0.00 0.00 70.33 69.43 2hko n THR 488 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hko n ALA 489 N -0.20 0.93 -0.16 2.41 0.00 0.54 -3.01 120.51 121.02 2hko n ALA 489 Ca 0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 2hko n ALA 489 Cb 0.41 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 2hko n ALA 489 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hko h LEU 490 N -0.58 0.70 -1.16 0.00 3.38 -1.50 -2.21 115.31 113.94 2hko h LEU 490 Ca -0.45 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.24 2hko h LEU 490 Cb 1.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2hko h LEU 490 CO -0.14 0.75 0.04 0.00 0.09 0.00 0.00 178.44 179.18 2hko n LYS 492 N -4.28 0.15 -0.04 0.00 5.02 -0.97 -2.25 118.16 115.79 2hko n LYS 492 Ca 0.02 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 2hko n LYS 492 Cb 0.24 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 2hko n LYS 492 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2hko n GLU 493 N -2.06 0.70 0.28 1.97 2.13 -0.28 -3.79 120.64 119.59 2hko n GLU 493 Ca 0.03 0.22 0.19 0.00 0.66 0.00 0.00 57.16 58.26 2hko n GLU 493 Cb 0.23 -1.68 0.93 0.00 0.27 0.00 0.00 31.44 31.19 2hko n GLU 493 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2hko h TYR 494 N 0.03 0.00 0.00 4.31 3.20 -0.54 0.28 116.97 124.25 2hko h TYR 494 Ca -0.43 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.22 2hko h TYR 494 Cb 2.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 40.27 2hko h TYR 494 CO 0.04 0.00 -1.20 -0.44 -1.64 0.00 0.00 178.16 174.91 2hko h ASP 495 N 0.00 0.00 -0.04 -2.11 3.32 -1.60 -2.86 116.42 113.13 2hko h ASP 495 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hko h ASP 495 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2hko h ASP 495 CO 0.00 0.90 0.02 -0.33 -1.72 0.00 0.00 179.24 178.11 2hko h GLU 496 N 0.00 0.05 -0.38 3.56 4.39 -1.04 -1.98 114.58 119.18 2hko h GLU 496 Ca -0.11 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2hko h GLU 496 Cb 1.79 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 2hko h GLU 496 CO 0.10 0.13 0.15 -0.07 -1.16 0.00 0.00 179.01 178.16 2hko h LEU 497 N -0.04 0.52 -2.14 1.33 3.38 -1.57 -1.52 115.31 115.26 2hko h LEU 497 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hko h LEU 497 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2hko h LEU 497 CO -0.00 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.07 2hko h ALA 498 N 1.00 1.00 0.00 1.53 0.00 -1.37 0.65 119.26 122.08 2hko h ALA 498 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2hko h ALA 498 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2hko h ALA 498 CO -0.01 0.00 -1.21 1.49 0.00 0.00 0.00 179.25 179.52 2hko h GLU 499 N 0.00 0.01 0.12 0.00 4.81 -0.51 -3.16 114.58 115.84 2hko h GLU 499 Ca 0.00 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 2hko h GLU 499 Cb 0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2hko h GLU 499 CO 0.00 0.86 -1.56 1.15 -0.73 0.00 0.00 179.01 178.73 2hko h THR 500 N 0.00 1.11 -0.45 0.32 2.02 -0.04 -2.42 112.91 113.45 2hko h THR 500 Ca -0.09 -2.76 0.12 0.00 0.77 0.00 0.00 66.41 64.44 2hko h THR 500 Cb 1.85 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.97 2hko h THR 500 CO 0.12 0.81 0.32 -0.61 0.37 0.00 0.00 175.52 176.53 2hko h GLN 501 N 0.07 0.07 0.10 6.66 4.15 0.03 0.20 115.11 126.37 2hko h GLN 501 Ca -0.25 -0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.85 2hko h GLN 501 Cb 2.02 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.68 2hko h GLN 501 CO 0.16 0.04 -1.64 0.78 -1.93 0.00 0.00 178.83 176.24 2hko h GLY 502 N 0.07 0.23 2.00 2.39 0.00 -1.58 -3.15 103.07 103.03 2hko h GLY 502 Ca 0.21 -0.59 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2hko h GLY 502 CO -0.02 0.52 -0.23 0.50 0.00 0.00 0.00 176.54 177.31 2hko h LYS 503 N -0.29 0.00 0.01 4.80 1.79 -0.98 -1.01 116.57 120.89 2hko h LYS 503 Ca -0.37 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2hko h LYS 503 Cb 1.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.43 2hko h LYS 503 CO 0.01 0.23 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.54 2hko h LEU 504 N 0.00 -0.01 -0.88 2.94 3.38 -0.79 -3.17 115.31 116.78 2hko h LEU 504 Ca -0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.20 2hko h LEU 504 Cb 0.55 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 2hko h LEU 504 CO 0.03 0.32 0.21 -0.33 0.09 0.00 0.00 178.44 178.76 2hko h GLU 505 N -0.66 0.18 -0.68 1.13 5.08 -1.59 1.31 114.58 119.34 2hko h GLU 505 Ca -0.00 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 2hko h GLU 505 Cb 0.01 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.11 2hko h GLU 505 CO 0.00 0.12 0.07 1.49 -1.00 0.00 0.00 179.01 179.69 2hko h GLU 506 N 0.18 0.17 -0.25 2.33 4.81 -1.31 0.50 114.58 121.01 2hko h GLU 506 Ca 0.55 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.63 2hko h GLU 506 Cb 1.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2hko h GLU 506 CO -0.68 0.11 -0.41 -0.22 -0.73 0.00 0.00 179.01 177.08 2hko h LYS 507 N 0.17 0.61 0.12 1.92 3.64 0.15 -2.71 116.57 120.47 2hko h LYS 507 Ca 0.37 -0.31 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2hko h LYS 507 Cb 0.63 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2hko h LYS 507 CO -0.54 0.91 -0.25 1.25 -2.27 0.00 0.00 179.45 178.55 2hko h LEU 508 N 0.50 -0.70 -0.05 5.20 5.85 0.37 -2.99 115.31 123.48 2hko h LEU 508 Ca 0.04 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2hko h LEU 508 Cb 0.92 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2hko h LEU 508 CO 0.08 -0.34 -0.13 1.56 -0.34 0.00 0.00 178.44 179.27 2hko h GLN 509 N -0.46 -0.12 -0.51 1.25 4.20 -0.09 -2.62 115.11 116.76 2hko h GLN 509 Ca 0.03 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.84 2hko h GLN 509 Cb 0.48 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 2hko h GLN 509 CO -0.14 -0.08 -0.17 0.39 -0.67 0.00 0.00 178.83 178.16 2hko n GLU 510 N -3.30 -0.09 0.02 1.46 1.02 -1.03 0.41 120.64 119.13 2hko n GLU 510 Ca -0.01 0.79 0.02 0.00 -0.02 0.00 0.00 57.16 57.93 2hko n GLU 510 Cb 0.09 -1.18 0.36 0.00 -0.02 0.00 0.00 31.44 30.69 2hko n GLU 510 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2hko h LEU 511 N 0.00 0.45 0.00 -4.62 3.38 -1.33 0.32 115.31 113.51 2hko h LEU 511 Ca 0.21 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 2hko h LEU 511 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2hko h LEU 511 CO -0.51 0.46 -1.04 -0.33 0.09 0.00 0.00 178.44 177.11 2hko h GLU 512 N 0.48 0.00 0.17 1.13 3.07 0.02 -3.03 114.58 116.43 2hko h GLU 512 Ca 0.11 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.65 2hko h GLU 512 Cb 0.19 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2hko h GLU 512 CO -0.00 0.84 -1.54 0.00 -1.40 0.00 0.00 179.01 176.91 2hko h ALA 513 N 1.08 0.10 -0.93 3.43 0.00 -1.10 -3.36 119.26 118.49 2hko h ALA 513 Ca -0.05 -1.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.22 2hko h ALA 513 Cb 1.74 0.26 -0.37 0.00 0.00 0.00 0.00 17.79 19.43 2hko h ALA 513 CO 0.11 0.97 -0.10 -1.71 0.00 0.00 0.00 179.25 178.52 2hko n ASN 514 N -3.57 6.03 -4.79 0.00 5.15 0.11 -5.06 115.26 113.13 2hko n ASN 514 Ca -0.18 -3.77 -0.36 0.00 -0.60 0.00 0.00 54.58 49.68 2hko n ASN 514 Cb 1.07 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.66 2hko n ASN 514 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2hko s PRO 515 N -3.71 4.09 1.17 1.20 0.04 -1.14 -4.88 135.00 131.78 2hko s PRO 515 Ca 0.55 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 2hko s PRO 515 Cb 0.44 -2.42 0.27 0.00 0.04 0.00 0.00 34.50 32.84 2hko s PRO 515 CO -0.03 -0.19 1.05 -2.14 0.04 0.00 0.00 177.00 175.72 2hko s PRO 516 N -2.70 -0.97 0.34 0.56 0.02 -1.26 -5.00 135.00 125.99 2hko s PRO 516 Ca 0.60 0.43 -0.26 0.00 0.02 0.00 0.00 61.00 61.79 2hko s PRO 516 Cb -0.20 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 2hko s PRO 516 CO 0.25 -3.65 1.02 -1.54 -0.33 0.00 0.00 177.00 172.74 2hko s SER 517 N -3.17 7.10 0.20 2.53 1.04 -1.26 -4.97 113.70 115.16 2hko s SER 517 Ca 0.68 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 59.10 2hko s SER 517 Cb -0.18 -2.59 0.14 0.00 0.10 0.00 0.00 66.02 63.48 2hko s SER 517 CO 0.60 -0.25 1.51 0.44 0.98 0.00 0.00 173.24 176.51 2hko h ASP 518 N 3.05 0.51 -5.13 7.02 5.19 -1.94 -3.44 116.42 121.68 2hko h ASP 518 Ca -0.47 -0.29 -0.14 0.00 -0.62 0.00 0.00 57.03 55.51 2hko h ASP 518 Cb 1.21 -0.15 -0.16 0.00 0.18 0.00 0.00 39.33 40.40 2hko h ASP 518 CO 0.64 0.99 -0.69 0.68 -3.12 0.00 0.00 179.24 177.75 2hko s VAL 519 N -3.88 0.24 -2.17 -1.35 -7.23 -1.26 -4.86 120.40 99.90 2hko s VAL 519 Ca -0.06 -1.62 0.27 0.00 -1.81 0.00 0.00 61.98 58.76 2hko s VAL 519 Cb 0.11 -1.26 0.40 0.00 0.56 0.00 0.00 36.38 36.20 2hko s VAL 519 CO 0.83 -0.88 1.64 0.00 -0.31 0.00 0.00 175.10 176.38 2hko n TYR 520 N 0.43 0.00 -3.66 2.82 9.36 -1.26 -4.85 117.16 120.01 2hko n TYR 520 Ca -0.16 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.99 2hko n TYR 520 Cb 0.60 -0.06 -0.08 0.00 -0.63 0.00 0.00 39.34 39.17 2hko n TYR 520 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2hko s LEU 521 N -2.24 -0.72 0.47 2.98 0.05 -1.26 -4.96 118.68 113.01 2hko s LEU 521 Ca 0.31 1.12 -0.09 0.00 0.05 0.00 0.00 54.13 55.52 2hko s LEU 521 Cb 0.20 1.57 -0.05 0.00 -2.05 0.00 0.00 46.19 45.86 2hko s LEU 521 CO 0.42 -0.23 0.83 -0.44 -0.55 0.00 0.00 176.35 176.38 2hko s SER 522 N 2.56 6.38 0.64 1.48 0.01 -1.26 -4.85 113.70 118.67 2hko s SER 522 Ca -0.03 1.11 0.33 0.00 1.31 0.00 0.00 55.95 58.67 2hko s SER 522 Cb -0.12 -2.32 1.78 0.00 0.21 0.00 0.00 66.02 65.57 2hko s SER 522 CO -0.14 -0.55 2.00 -1.28 0.41 0.00 0.00 173.24 173.67 2hko h SER 523 N 0.59 0.00 0.00 2.44 0.87 -2.01 -1.03 113.55 114.41 2hko h SER 523 Ca -0.47 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 2hko h SER 523 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2hko h SER 523 CO 0.63 0.00 -1.14 0.54 -0.53 0.00 0.00 176.83 176.32 2hko n ARG 524 N -2.88 0.52 -0.30 2.24 1.74 -1.26 -3.61 116.66 113.11 2hko n ARG 524 Ca -0.02 0.34 0.14 0.00 -0.77 0.00 0.00 57.85 57.54 2hko n ARG 524 Cb 0.29 -1.54 0.31 0.00 -1.02 0.00 0.00 32.46 30.50 2hko n ARG 524 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2hko h ASP 525 N -1.00 0.00 0.53 0.55 5.19 -1.83 0.30 116.42 120.16 2hko h ASP 525 Ca -0.14 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 2hko h ASP 525 Cb 0.99 0.28 0.01 0.00 0.18 0.00 0.00 39.33 40.79 2hko h ASP 525 CO -0.09 -0.18 -0.26 -0.09 -3.12 0.00 0.00 179.24 175.51 2hko h ARG 526 N 0.19 -0.69 0.00 3.56 9.65 -1.42 0.56 114.38 126.23 2hko h ARG 526 Ca 0.58 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.50 2hko h ARG 526 Cb 1.19 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 2hko h ARG 526 CO -0.68 -0.40 0.42 1.96 2.80 0.00 0.00 179.97 184.07 2hko h GLN 527 N -0.88 0.00 0.03 0.20 4.20 -0.64 0.58 115.11 118.60 2hko h GLN 527 Ca -0.07 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.26 2hko h GLN 527 Cb 0.61 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 2hko h GLN 527 CO 0.12 0.00 -2.33 -0.89 -0.67 0.00 0.00 178.83 175.06 2hko n ILE 528 N -2.52 1.54 0.28 2.54 5.41 0.67 -3.99 119.36 123.29 2hko n ILE 528 Ca -0.01 -0.64 0.14 0.00 1.00 0.00 0.00 62.75 63.23 2hko n ILE 528 Cb 0.45 -1.33 0.83 0.00 -0.71 0.00 0.00 39.64 38.88 2hko n ILE 528 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2hko h LEU 529 N 0.02 0.00 -0.05 1.39 5.85 0.52 -2.06 115.31 120.97 2hko h LEU 529 Ca -0.53 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 2hko h LEU 529 Cb 1.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 2hko h LEU 529 CO -0.03 0.06 0.02 0.44 -0.34 0.00 0.00 178.44 178.59 2hko h ASP 530 N 0.00 0.08 -0.87 1.25 3.32 -0.73 -3.10 116.42 116.37 2hko h ASP 530 Ca -0.00 -0.21 0.16 0.00 0.02 0.00 0.00 57.03 57.01 2hko h ASP 530 Cb 0.16 -0.02 -0.16 0.00 0.22 0.00 0.00 39.33 39.53 2hko h ASP 530 CO 0.01 0.26 -0.27 -0.25 -1.72 0.00 0.00 179.24 177.27 2hko h TRP 531 N -0.11 -0.65 0.00 4.55 7.01 -1.50 1.60 115.95 126.84 2hko h TRP 531 Ca 0.02 0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2hko h TRP 531 Cb 0.21 0.42 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 2hko h TRP 531 CO -0.00 -0.39 0.00 0.45 -2.79 0.00 0.00 178.44 175.71 2hko h HIS 532 N -0.02 0.00 0.00 2.65 3.86 -1.58 0.30 115.15 120.36 2hko h HIS 532 Ca 0.38 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.49 2hko h HIS 532 Cb 0.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2hko h HIS 532 CO -0.72 0.00 -0.65 0.74 0.86 0.00 0.00 177.93 178.16 2hko h PHE 533 N 0.00 0.00 -0.43 2.45 0.04 0.21 -2.94 116.94 116.28 2hko h PHE 533 Ca 0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 2hko h PHE 533 Cb 0.07 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.12 2hko h PHE 533 CO 0.00 0.99 -0.27 0.00 -0.60 0.00 0.00 178.31 178.43 2hko h ALA 534 N -0.46 -0.03 -1.00 2.45 0.00 0.43 0.69 119.26 121.34 2hko h ALA 534 Ca -0.16 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.04 2hko h ALA 534 Cb 0.97 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 2hko h ALA 534 CO -0.10 -0.64 0.62 -0.97 0.00 0.00 0.00 179.25 178.16 2hko h ASN 535 N -0.19 0.84 0.41 0.00 -1.24 -0.57 0.74 115.58 115.57 2hko h ASN 535 Ca 0.20 0.07 -0.14 0.00 0.71 0.00 0.00 56.30 57.14 2hko h ASN 535 Cb 0.50 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2hko h ASN 535 CO -0.53 0.38 -0.58 0.25 -1.29 0.00 0.00 177.43 175.65 2hko h LEU 536 N 0.86 0.19 -0.16 0.34 5.85 0.03 -2.04 115.31 120.40 2hko h LEU 536 Ca 0.54 -0.11 -0.19 0.00 0.84 0.00 0.00 57.88 58.95 2hko h LEU 536 Cb 0.71 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2hko h LEU 536 CO -0.32 0.73 -0.92 -0.33 -0.34 0.00 0.00 178.44 177.26 2hko h GLU 537 N 0.13 0.01 -0.21 1.25 5.08 0.30 -2.50 114.58 118.64 2hko h GLU 537 Ca -0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2hko h GLU 537 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2hko h GLU 537 CO 0.09 0.92 -0.46 0.35 -1.00 0.00 0.00 179.01 178.91 2hko h PHE 538 N 0.00 0.66 -0.01 4.33 3.57 0.52 0.35 116.94 126.37 2hko h PHE 538 Ca -0.01 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.12 2hko h PHE 538 Cb 1.63 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 2hko h PHE 538 CO 0.00 0.91 -0.74 0.00 -2.23 0.00 0.00 178.31 176.25 2hko h ALA 539 N 1.06 0.76 -0.01 2.41 0.00 -1.34 -3.17 119.26 118.97 2hko h ALA 539 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2hko h ALA 539 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2hko h ALA 539 CO 0.09 0.89 -0.54 0.09 0.00 0.00 0.00 179.25 179.79 2hko n ASN 540 N -3.69 1.29 0.00 0.00 3.02 -0.95 -4.97 115.26 109.96 2hko n ASN 540 Ca -0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2hko n ASN 540 Cb 0.72 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2hko n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hko n ALA 541 N -0.75 0.00 -3.43 5.41 0.00 0.12 -4.72 120.51 117.13 2hko n ALA 541 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 2hko n ALA 541 Cb 0.38 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 2hko n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2hko s THR 542 N -1.59 0.02 0.74 0.00 -1.32 -0.85 0.13 115.64 112.77 2hko s THR 542 Ca 0.00 -0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.18 2hko s THR 542 Cb 0.00 -0.90 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 2hko s THR 542 CO 0.00 -0.08 1.22 -0.81 -2.21 0.00 0.00 174.62 172.74 2hko n PRO 543 N 0.97 0.57 0.11 7.08 -0.04 -1.26 -4.58 135.00 137.84 2hko n PRO 543 Ca -0.20 0.26 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2hko n PRO 543 Cb 0.57 -2.46 0.46 0.00 -0.04 0.00 0.00 33.50 32.03 2hko n PRO 543 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2hko h LEU 544 N -0.30 0.26 -2.24 1.53 3.38 -1.95 -2.49 115.31 113.49 2hko h LEU 544 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2hko h LEU 544 Cb 1.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2hko h LEU 544 CO 0.49 0.28 0.24 0.77 0.09 0.00 0.00 178.44 180.31 2hko h SER 545 N 0.29 0.00 0.07 -0.43 4.64 -1.91 -1.34 113.55 114.88 2hko h SER 545 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2hko h SER 545 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2hko h SER 545 CO -0.00 0.00 -0.59 0.35 -0.87 0.00 0.00 176.83 175.72 2hko n THR 546 N -2.92 0.00 -3.19 2.95 -2.24 -0.94 -4.69 114.28 103.26 2hko n THR 546 Ca -0.02 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 2hko n THR 546 Cb 0.30 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 2hko n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hko s LEU 547 N -2.67 4.13 -0.62 3.22 1.43 -0.55 -1.91 118.68 121.71 2hko s LEU 547 Ca 0.16 0.72 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2hko s LEU 547 Cb 0.18 -2.78 -0.11 0.00 0.03 0.00 0.00 46.19 43.51 2hko s LEU 547 CO 0.66 -0.24 2.46 -0.24 0.23 0.00 0.00 176.35 179.22 2hko n SER 548 N 5.03 1.83 -0.12 2.29 2.88 -0.40 -1.67 113.62 123.46 2hko n SER 548 Ca -0.03 -0.51 0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2hko n SER 548 Cb 0.50 -1.46 0.71 0.00 -0.75 0.00 0.00 64.21 63.21 2hko n SER 548 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2hko h LEU 549 N 18.54 0.00 0.02 2.46 5.85 -1.76 -1.05 115.31 139.37 2hko h LEU 549 Ca -0.18 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.29 2hko h LEU 549 Cb 1.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 2hko h LEU 549 CO 1.19 0.00 -1.14 0.50 -0.34 0.00 0.00 178.44 178.65 2hko h LYS 550 N 0.00 0.33 -0.01 1.25 3.64 -1.85 -3.39 116.57 116.54 2hko h LYS 550 Ca 0.39 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2hko h LYS 550 Cb 1.77 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2hko h LYS 550 CO -0.00 1.18 -0.23 0.72 -2.27 0.00 0.00 179.45 178.85 2hko n HIS 551 N -3.62 0.05 1.85 1.91 8.25 -0.45 -4.75 115.22 118.46 2hko n HIS 551 Ca -0.08 -1.24 0.03 0.00 -0.26 0.00 0.00 57.72 56.17 2hko n HIS 551 Cb 0.96 -0.21 0.17 0.00 1.12 0.00 0.00 29.99 32.03 2hko n HIS 551 CO 0.00 0.00 0.00 -2.67 0.64 0.00 0.00 176.34 174.31 2hko n TRP 552 N -1.27 0.06 -2.80 4.41 4.27 -0.89 -3.88 117.44 117.35 2hko n TRP 552 Ca 0.18 -0.03 -0.01 0.00 -3.89 0.00 0.00 57.50 53.75 2hko n TRP 552 Cb 0.68 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.68 2hko n TRP 552 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 2hko n ASP 553 N -0.43 1.73 0.13 -0.67 8.00 -1.26 -4.82 116.55 119.24 2hko n ASP 553 Ca 0.05 -2.13 0.04 0.00 0.71 0.00 0.00 54.79 53.47 2hko n ASP 553 Cb 0.06 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2hko n ASP 553 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2hko h GLN 554 N 2.60 0.00 0.00 -1.24 -0.00 -1.93 -3.16 115.11 111.38 2hko h GLN 554 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2hko h GLN 554 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2hko h GLN 554 CO 0.22 0.36 0.00 -0.40 -0.00 0.00 0.00 178.83 179.01 2hko n ASP 555 N -3.12 0.00 0.09 0.06 5.68 -1.26 -3.86 116.55 114.14 2hko n ASP 555 Ca 0.00 -1.07 0.01 0.00 -0.50 0.00 0.00 54.79 53.23 2hko n ASP 555 Cb 0.71 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.66 2hko n ASP 555 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2hko h ASP 556 N 0.00 0.00 0.00 -1.12 3.32 -1.89 -3.14 116.42 113.59 2hko h ASP 556 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hko h ASP 556 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2hko h ASP 556 CO 0.00 0.59 0.00 0.47 -1.72 0.00 0.00 179.24 178.58 2hko n ASP 557 N -3.13 0.56 -2.65 6.45 8.00 -1.25 -3.30 116.55 121.22 2hko n ASP 557 Ca -0.02 -1.87 -0.09 0.00 0.71 0.00 0.00 54.79 53.52 2hko n ASP 557 Cb 0.79 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 2hko n ASP 557 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2hko n PHE 558 N -0.18 1.59 -4.05 1.24 3.72 -1.19 -5.10 117.46 113.49 2hko n PHE 558 Ca 0.00 -2.50 -0.22 0.00 -0.05 0.00 0.00 57.45 54.69 2hko n PHE 558 Cb 0.14 -0.28 -0.04 0.00 -0.94 0.00 0.00 39.48 38.36 2hko n PHE 558 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2hko s GLU 559 N -3.49 3.02 0.44 -1.08 -1.05 -1.21 -4.96 118.70 110.37 2hko s GLU 559 Ca 0.32 -1.01 -0.07 0.00 -0.15 0.00 0.00 54.97 54.05 2hko s GLU 559 Cb 0.39 -2.63 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 2hko s GLU 559 CO -0.02 0.37 0.77 -0.06 0.95 0.00 0.00 175.26 177.27 2hko s PHE 560 N -2.12 3.52 -0.44 4.83 0.08 -1.26 -5.02 117.98 117.57 2hko s PHE 560 Ca 0.34 0.89 -0.18 0.00 0.12 0.00 0.00 56.93 58.10 2hko s PHE 560 Cb -0.08 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 2hko s PHE 560 CO 0.26 -0.19 0.51 0.99 -0.10 0.00 0.00 175.22 176.69 2hko s THR 561 N -2.56 5.01 0.00 0.64 2.01 -1.14 -4.82 115.64 114.78 2hko s THR 561 Ca 0.49 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2hko s THR 561 Cb -0.10 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2hko s THR 561 CO 0.39 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 2hko n GLY 562 N 5.11 3.85 3.77 4.40 0.00 -1.26 -1.51 105.19 119.56 2hko n GLY 562 Ca -0.06 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2hko n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hko s SER 563 N 0.00 6.12 0.33 1.61 1.04 -1.26 -4.37 113.70 117.18 2hko s SER 563 Ca 0.00 2.30 -0.28 0.00 0.48 0.00 0.00 55.95 58.45 2hko s SER 563 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 2hko s SER 563 CO 0.00 -0.95 1.14 -1.00 0.98 0.00 0.00 173.24 173.41 2hko s HIS 564 N -1.56 3.34 0.38 5.02 0.09 -1.26 -3.90 115.29 117.40 2hko s HIS 564 Ca 0.64 1.62 0.02 0.00 -0.00 0.00 0.00 55.06 57.35 2hko s HIS 564 Cb -0.28 -3.34 0.02 0.00 -0.00 0.00 0.00 32.58 28.98 2hko s HIS 564 CO 0.34 -0.91 0.17 1.28 -0.00 0.00 0.00 174.74 175.62 2hko n LEU 565 N 0.68 0.00 -4.28 0.89 4.77 -0.06 -2.33 117.00 116.68 2hko n LEU 565 Ca 0.01 -2.13 -0.17 0.00 -0.03 0.00 0.00 56.01 53.69 2hko n LEU 565 Cb 0.45 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2hko n LEU 565 CO 0.52 -0.42 -0.18 0.28 -1.33 0.00 0.00 177.39 176.26 2hko s THR 566 N -2.09 0.12 -0.33 -5.08 -1.32 -0.28 -1.93 115.64 104.73 2hko s THR 566 Ca 0.13 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.63 2hko s THR 566 Cb -0.01 -2.50 0.10 0.00 -1.51 0.00 0.00 72.50 68.58 2hko s THR 566 CO 0.08 0.00 0.07 -0.69 -2.21 0.00 0.00 174.62 171.88 2hko s VAL 567 N -3.72 1.67 -2.15 5.08 1.01 -1.23 -2.09 120.40 118.97 2hko s VAL 567 Ca 0.38 -1.95 0.21 0.00 0.00 0.00 0.00 61.98 60.63 2hko s VAL 567 Cb 0.05 -2.25 0.52 0.00 0.00 0.00 0.00 36.38 34.70 2hko s VAL 567 CO 0.19 -0.64 1.67 -2.11 0.00 0.00 0.00 175.10 174.22 2hko n ARG 568 N 4.50 1.36 -0.00 2.72 1.85 -1.05 -2.93 116.66 123.11 2hko n ARG 568 Ca 0.01 -0.55 0.08 0.00 -1.00 0.00 0.00 57.85 56.40 2hko n ARG 568 Cb 0.42 -1.36 -0.11 0.00 -1.05 0.00 0.00 32.46 30.36 2hko n ARG 568 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2hko n ASN 569 N -0.25 0.86 0.00 2.89 5.15 -1.26 -5.01 115.26 117.64 2hko n ASN 569 Ca 0.16 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 2hko n ASN 569 Cb 0.20 1.23 0.00 0.00 -0.53 0.00 0.00 39.78 40.68 2hko n ASN 569 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hko n GLY 570 N 1.43 0.95 0.34 8.20 0.00 -1.15 -4.80 105.19 110.16 2hko n GLY 570 Ca 0.01 -1.03 0.18 0.00 0.00 0.00 0.00 46.02 45.18 2hko n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2hko h TYR 571 N 0.00 0.00 0.00 1.61 5.03 -1.86 -1.16 116.97 120.58 2hko h TYR 571 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2hko h TYR 571 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2hko h TYR 571 CO 0.00 0.00 0.01 -1.13 -1.32 0.00 0.00 178.16 175.72 2hko n SER 572 N -3.13 0.28 0.19 -2.11 3.41 -1.26 -1.75 113.62 109.24 2hko n SER 572 Ca -0.01 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.28 2hko n SER 572 Cb 0.31 -0.66 0.32 0.00 -0.26 0.00 0.00 64.21 63.92 2hko n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hko h VAL 574 N 0.00 0.60 -0.20 0.00 2.07 -1.58 -2.17 116.25 114.96 2hko h VAL 574 Ca -0.00 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 2hko h VAL 574 Cb 0.92 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2hko h VAL 574 CO 0.05 0.11 -0.29 1.55 0.02 0.00 0.00 177.57 179.01 2hko h PRO 575 N -0.84 0.39 0.00 1.57 0.13 -1.73 -1.72 132.00 129.80 2hko h PRO 575 Ca -0.05 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2hko h PRO 575 Cb 0.53 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2hko h PRO 575 CO 0.08 0.65 -0.23 0.28 -0.23 0.00 0.00 178.00 178.54 2hko h VAL 576 N 0.34 0.69 0.01 1.56 2.07 -1.53 -0.69 116.25 118.71 2hko h VAL 576 Ca 0.05 -1.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.30 2hko h VAL 576 Cb 0.68 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 2hko h VAL 576 CO 0.05 0.23 -1.44 0.00 0.02 0.00 0.00 177.57 176.42 2hko h ALA 577 N 1.77 0.59 0.00 1.67 0.00 -1.05 -3.30 119.26 118.93 2hko h ALA 577 Ca -0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 54.91 53.58 2hko h ALA 577 Cb 0.62 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2hko h ALA 577 CO 0.03 1.44 -0.40 -0.07 0.00 0.00 0.00 179.25 180.25 2hko h LEU 578 N 0.01 0.00 -0.47 0.00 3.38 -1.00 -3.25 115.31 113.98 2hko h LEU 578 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2hko h LEU 578 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2hko h LEU 578 CO 0.10 0.40 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2hko n ALA 579 N -2.23 2.39 -2.64 1.53 0.00 -0.29 -4.85 120.51 114.42 2hko n ALA 579 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2hko n ALA 579 Cb 0.62 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 2hko n ALA 579 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2hko s GLU 580 N -1.53 4.11 0.00 0.00 2.12 -1.23 -3.87 118.70 118.29 2hko s GLU 580 Ca 0.00 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2hko s GLU 580 Cb 0.00 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.78 2hko s GLU 580 CO 0.00 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2hko n GLY 581 N 4.23 0.71 3.72 -1.50 0.00 -1.26 -5.06 105.19 106.03 2hko n GLY 581 Ca -0.06 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2hko n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hko s LEU 582 N 0.00 3.65 -0.99 0.99 1.43 -1.25 -5.04 118.68 117.47 2hko s LEU 582 Ca 0.00 0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 2hko s LEU 582 Cb 0.00 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2hko s LEU 582 CO 0.00 0.29 1.40 -0.62 0.23 0.00 0.00 176.35 177.65 2hko s ASP 583 N -1.51 6.49 -0.15 2.29 -1.08 -1.26 -4.96 116.67 116.48 2hko s ASP 583 Ca 0.20 -1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 50.75 2hko s ASP 583 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 2hko s ASP 583 CO 0.10 -1.48 -0.05 -0.63 0.52 0.00 0.00 175.17 173.63 2hko s ILE 584 N 4.77 3.75 -0.57 4.11 1.01 -1.26 -0.67 121.20 132.34 2hko s ILE 584 Ca 0.44 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 2hko s ILE 584 Cb -0.01 -2.64 0.15 0.00 0.01 0.00 0.00 42.46 39.97 2hko s ILE 584 CO -0.08 0.49 0.45 -0.54 0.00 0.00 0.00 174.94 175.27 2hko s LYS 585 N 0.40 2.74 0.90 2.79 -0.14 0.21 -4.95 119.74 121.70 2hko s LYS 585 Ca -0.05 -2.03 -0.13 0.00 -1.36 0.00 0.00 55.97 52.41 2hko s LYS 585 Cb -0.14 -4.02 0.14 0.00 -1.68 0.00 0.00 37.83 32.12 2hko s LYS 585 CO 0.03 -1.22 1.17 -0.51 -0.76 0.00 0.00 175.35 174.06 2hko s LEU 586 N 0.91 2.17 -1.17 3.17 1.43 -1.26 -0.68 118.68 123.24 2hko s LEU 586 Ca 0.10 0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2hko s LEU 586 Cb -0.23 -3.10 0.06 0.00 0.03 0.00 0.00 46.19 42.95 2hko s LEU 586 CO -0.02 -2.48 0.37 0.59 0.23 0.00 0.00 176.35 175.04 2hko n ASN 587 N -3.69 -3.52 -3.83 2.29 3.02 0.16 -4.81 115.26 104.87 2hko n ASN 587 Ca 0.08 -0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 54.09 2hko n ASN 587 Cb 0.60 -2.95 -0.14 0.00 -0.61 0.00 0.00 39.78 36.68 2hko n ASN 587 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2hko s THR 588 N -2.82 1.68 -0.24 3.41 2.01 0.11 -0.79 115.64 119.01 2hko s THR 588 Ca 0.31 -2.33 -0.19 0.00 0.31 0.00 0.00 61.69 59.79 2hko s THR 588 Cb -0.17 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2hko s THR 588 CO 0.38 -0.75 0.57 0.00 -0.69 0.00 0.00 174.62 174.14 2hko s ALA 589 N 0.71 3.58 0.26 7.40 0.00 -0.25 -3.00 121.76 130.46 2hko s ALA 589 Ca 0.14 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 2hko s ALA 589 Cb -0.22 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2hko s ALA 589 CO -0.08 -0.67 1.18 0.08 0.00 0.00 0.00 175.76 176.27 2hko s VAL 590 N 2.16 3.32 -0.02 0.00 1.01 -1.26 -0.30 120.40 125.32 2hko s VAL 590 Ca 0.25 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.50 2hko s VAL 590 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2hko s VAL 590 CO 0.09 0.27 0.03 0.54 0.00 0.00 0.00 175.10 176.02 2hko n ARG 591 N 1.54 2.37 -3.72 2.72 1.74 0.12 -4.63 116.66 116.79 2hko n ARG 591 Ca 0.01 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2hko n ARG 591 Cb 0.44 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 2hko n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2hko s GLN 592 N -2.10 0.60 -0.24 5.56 0.74 -0.85 -1.55 119.66 121.82 2hko s GLN 592 Ca -0.01 0.26 -0.01 0.00 0.05 0.00 0.00 55.36 55.65 2hko s GLN 592 Cb 0.01 0.28 0.07 0.00 1.10 0.00 0.00 33.01 34.47 2hko s GLN 592 CO 0.10 -0.13 0.02 0.08 -0.55 0.00 0.00 175.29 174.81 2hko s VAL 593 N -0.49 1.01 -0.16 1.34 1.01 0.41 -0.54 120.40 122.98 2hko s VAL 593 Ca -0.06 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2hko s VAL 593 Cb -0.04 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2hko s VAL 593 CO 0.03 -0.29 0.09 -1.10 0.00 0.00 0.00 175.10 173.82 2hko s GLN 594 N 1.61 3.79 -0.01 2.72 -0.21 0.01 -0.81 119.66 126.76 2hko s GLN 594 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.11 2hko s GLN 594 Cb -0.18 -3.20 0.01 0.00 1.00 0.00 0.00 33.01 30.64 2hko s GLN 594 CO -0.11 0.44 -0.01 1.52 -2.12 0.00 0.00 175.29 175.01 2hko s TYR 595 N -0.09 0.25 0.20 0.91 1.13 -0.87 -0.04 117.35 118.84 2hko s TYR 595 Ca 0.08 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 2hko s TYR 595 Cb -0.12 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.44 2hko s TYR 595 CO 0.01 -0.06 0.08 0.95 -2.51 0.00 0.00 175.55 174.02 2hko s THR 596 N 0.43 0.32 -2.00 -3.49 -4.23 0.53 -4.33 115.64 102.87 2hko s THR 596 Ca -0.04 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2hko s THR 596 Cb -0.07 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.46 2hko s THR 596 CO -0.01 -0.20 0.71 0.00 -0.54 0.00 0.00 174.62 174.58 2hko n ALA 597 N -0.28 2.13 0.08 3.99 0.00 -1.26 -1.76 120.51 123.40 2hko n ALA 597 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.42 2hko n ALA 597 Cb 0.65 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2hko n ALA 597 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hko n SER 598 N -0.55 0.68 0.00 0.00 3.41 -1.26 -4.92 113.62 110.98 2hko n SER 598 Ca 0.01 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2hko n SER 598 Cb 0.01 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2hko n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hko n GLY 599 N 0.52 -0.38 3.06 5.00 0.00 -0.72 -5.04 105.19 107.62 2hko n GLY 599 Ca 0.01 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2hko n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hko s GLU 601 N -1.61 1.31 -0.06 0.00 2.02 0.95 -0.59 118.70 120.72 2hko s GLU 601 Ca -0.14 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.39 2hko s GLU 601 Cb -0.07 -1.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 2hko s GLU 601 CO -0.00 0.27 -0.22 0.08 0.02 0.00 0.00 175.26 175.41 2hko s VAL 602 N -0.16 1.81 -0.16 2.63 1.01 0.92 -0.81 120.40 125.64 2hko s VAL 602 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2hko s VAL 602 Cb -0.08 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2hko s VAL 602 CO 0.00 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 2hko s ILE 603 N 0.03 2.23 0.34 2.22 1.01 0.30 -0.22 121.20 127.11 2hko s ILE 603 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2hko s ILE 603 Cb -0.14 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2hko s ILE 603 CO 0.04 0.53 0.09 0.00 0.00 0.00 0.00 174.94 175.60 2hko s ALA 604 N 0.98 2.44 0.03 9.38 0.00 -0.94 0.10 121.76 133.75 2hko s ALA 604 Ca -0.03 -1.77 0.02 0.00 0.00 0.00 0.00 51.96 50.19 2hko s ALA 604 Cb -0.15 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2hko s ALA 604 CO -0.05 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 175.37 2hko s VAL 605 N -3.34 0.59 -0.23 0.00 1.01 0.59 -0.60 120.40 118.42 2hko s VAL 605 Ca 0.33 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2hko s VAL 605 Cb 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2hko s VAL 605 CO 0.15 -0.19 1.37 0.21 0.00 0.00 0.00 175.10 176.64 2hko s ASN 606 N -1.12 6.70 0.00 3.32 3.84 -1.07 -1.09 114.94 125.52 2hko s ASN 606 Ca -0.05 1.50 0.14 0.00 0.21 0.00 0.00 52.86 54.66 2hko s ASN 606 Cb -0.07 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.80 2hko s ASN 606 CO 0.00 -1.01 1.37 0.35 -2.79 0.00 0.00 177.10 175.03 2hko n THR 607 N 5.95 0.61 0.69 -5.21 -2.24 0.03 -1.71 114.28 112.40 2hko n THR 607 Ca 0.15 0.15 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 2hko n THR 607 Cb 0.46 -0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 67.75 2hko n THR 607 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hko n ARG 608 N -1.28 1.76 -2.92 -0.78 5.12 -1.26 -4.81 116.66 112.50 2hko n ARG 608 Ca 0.07 -0.68 0.01 0.00 -1.93 0.00 0.00 57.85 55.32 2hko n ARG 608 Cb 0.11 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2hko n ARG 608 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2hko s SER 609 N -1.93 -0.82 0.38 0.55 1.04 -0.69 -5.01 113.70 107.21 2hko s SER 609 Ca 0.12 -0.49 0.23 0.00 0.48 0.00 0.00 55.95 56.29 2hko s SER 609 Cb 0.12 1.05 1.26 0.00 0.10 0.00 0.00 66.02 68.56 2hko s SER 609 CO 0.42 -0.08 1.69 0.71 0.98 0.00 0.00 173.24 176.96 2hko h THR 610 N 4.01 0.00 -0.34 2.02 1.35 -1.81 -1.77 112.91 116.36 2hko h THR 610 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 2hko h THR 610 Cb 1.20 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 2hko h THR 610 CO -0.01 0.00 0.23 0.77 -0.25 0.00 0.00 175.52 176.26 2hko h SER 611 N 0.00 0.27 -3.30 5.36 4.64 -1.95 -3.41 113.55 115.16 2hko h SER 611 Ca 0.00 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2hko h SER 611 Cb 0.13 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 62.00 2hko h SER 611 CO 0.00 0.18 -0.62 0.00 -0.87 0.00 0.00 176.83 175.52 2hko s GLN 612 N -5.30 3.27 0.36 4.77 -2.07 -0.67 -5.10 119.66 114.92 2hko s GLN 612 Ca -0.07 -0.41 0.03 0.00 -1.82 0.00 0.00 55.36 53.09 2hko s GLN 612 Cb 0.18 -2.88 -0.04 0.00 -1.09 0.00 0.00 33.01 29.18 2hko s GLN 612 CO 0.72 0.55 0.11 0.95 -1.32 0.00 0.00 175.29 176.30 2hko s THR 613 N -0.47 0.74 0.14 3.63 -4.23 -1.26 -2.59 115.64 111.60 2hko s THR 613 Ca 0.08 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2hko s THR 613 Cb -0.12 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2hko s THR 613 CO 0.02 0.00 0.14 -0.36 -0.54 0.00 0.00 174.62 173.88 2hko s PHE 614 N -3.31 0.65 -0.02 3.99 0.08 0.23 -4.96 117.98 114.63 2hko s PHE 614 Ca 0.29 -1.03 0.01 0.00 0.12 0.00 0.00 56.93 56.32 2hko s PHE 614 Cb 0.05 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.21 2hko s PHE 614 CO 0.15 -0.58 -0.01 0.42 -0.10 0.00 0.00 175.22 175.10 2hko s ILE 615 N -4.00 0.21 -0.09 0.64 1.01 -1.26 -2.22 121.20 115.49 2hko s ILE 615 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2hko s ILE 615 Cb 0.06 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.28 2hko s ILE 615 CO -0.00 0.13 -0.12 -0.31 0.00 0.00 0.00 174.94 174.64 2hko s TYR 616 N 0.69 1.58 0.15 3.97 1.51 0.69 -4.95 117.35 120.99 2hko s TYR 616 Ca -0.07 -0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 55.25 2hko s TYR 616 Cb -0.10 -1.19 -0.06 0.00 -0.11 0.00 0.00 41.96 40.50 2hko s TYR 616 CO -0.01 -0.39 0.40 0.15 -1.11 0.00 0.00 175.55 174.59 2hko s LYS 617 N 1.04 3.66 0.08 -0.62 1.02 -1.26 -0.05 119.74 123.60 2hko s LYS 617 Ca -0.07 -0.01 -0.27 0.00 0.02 0.00 0.00 55.97 55.64 2hko s LYS 617 Cb -0.15 -2.84 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 2hko s LYS 617 CO -0.01 0.46 0.98 0.00 -0.92 0.00 0.00 175.35 175.85 2hko h ASP 619 N 2.00 0.59 -4.56 0.00 3.32 -1.24 0.26 116.42 116.80 2hko h ASP 619 Ca -0.24 -0.93 -0.23 0.00 0.02 0.00 0.00 57.03 55.66 2hko h ASP 619 Cb 1.23 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 2hko h ASP 619 CO 0.27 1.77 -0.72 0.00 -1.72 0.00 0.00 179.24 178.84 2hko s ALA 620 N -2.56 0.26 -0.05 3.45 0.00 -1.02 -4.44 121.76 117.39 2hko s ALA 620 Ca -0.17 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2hko s ALA 620 Cb 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2hko s ALA 620 CO 0.84 -0.06 -0.17 0.08 0.00 0.00 0.00 175.76 176.45 2hko s VAL 621 N -1.00 2.81 -0.29 0.00 1.01 0.36 -1.11 120.40 122.17 2hko s VAL 621 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2hko s VAL 621 Cb -0.07 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.30 2hko s VAL 621 CO -0.00 0.58 -0.05 -0.22 0.00 0.00 0.00 175.10 175.41 2hko s LEU 622 N -0.57 3.95 -0.24 3.92 2.96 0.35 -0.37 118.68 128.68 2hko s LEU 622 Ca 0.08 -1.68 -0.22 0.00 -0.22 0.00 0.00 54.13 52.09 2hko s LEU 622 Cb -0.11 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2hko s LEU 622 CO 0.01 -0.26 0.71 0.00 -1.32 0.00 0.00 176.35 175.49 2hko n THR 624 N 5.15 1.98 -2.46 0.00 -2.24 -1.07 -1.71 114.28 113.92 2hko n THR 624 Ca 0.02 -3.41 -0.42 0.00 -2.27 0.00 0.00 64.05 57.97 2hko n THR 624 Cb 0.48 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2hko n THR 624 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hko s LEU 625 N -3.17 4.38 0.31 3.22 1.43 -1.26 -4.82 118.68 118.78 2hko s LEU 625 Ca 0.42 1.99 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 2hko s LEU 625 Cb 0.38 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.89 2hko s LEU 625 CO -0.03 -0.42 0.99 -2.65 0.23 0.00 0.00 176.35 174.48 2hko n PRO 626 N 3.74 1.33 -0.01 1.29 -0.02 -1.26 -4.76 135.00 135.31 2hko n PRO 626 Ca 0.08 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2hko n PRO 626 Cb 0.47 -1.86 0.56 0.00 -0.02 0.00 0.00 33.50 32.64 2hko n PRO 626 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2hko h LEU 627 N 1.88 0.25 -0.52 2.45 5.85 -1.94 0.34 115.31 123.62 2hko h LEU 627 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2hko h LEU 627 Cb 1.34 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2hko h LEU 627 CO 0.60 0.15 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 2hko n GLY 628 N -1.55 -1.07 0.13 3.75 0.00 -1.26 -2.26 105.19 102.94 2hko n GLY 628 Ca 0.08 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2hko n GLY 628 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hko n VAL 629 N -1.95 1.74 1.54 1.61 0.31 0.12 -3.76 118.33 117.94 2hko n VAL 629 Ca 0.02 -0.67 0.12 0.00 -0.01 0.00 0.00 64.34 63.80 2hko n VAL 629 Cb 0.17 -1.61 0.73 0.00 -0.91 0.00 0.00 33.84 32.21 2hko n VAL 629 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2hko n LEU 630 N -3.41 0.00 -0.04 7.52 4.77 -0.96 -3.02 117.00 121.86 2hko n LEU 630 Ca -0.31 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.69 2hko n LEU 630 Cb 1.05 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.98 2hko n LEU 630 CO 0.42 -0.00 -0.89 0.29 -1.33 0.00 0.00 177.39 175.88 2hko n LYS 631 N -1.00 0.76 -1.65 3.23 5.02 -0.98 -4.93 118.16 118.61 2hko n LYS 631 Ca 0.18 -0.11 -0.54 0.00 -2.02 0.00 0.00 58.31 55.82 2hko n LYS 631 Cb 0.09 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2hko n LYS 631 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2hko n GLN 632 N -2.40 1.36 0.28 1.97 6.02 -1.17 -4.83 117.38 118.62 2hko n GLN 632 Ca -0.15 0.48 -0.15 0.00 -0.01 0.00 0.00 57.00 57.17 2hko n GLN 632 Cb 0.76 -2.29 -0.08 0.00 1.02 0.00 0.00 30.24 29.66 2hko n GLN 632 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2hko h GLN 633 N 8.66 -0.70 -5.68 -1.09 5.75 -1.92 -3.07 115.11 117.06 2hko h GLN 633 Ca -0.43 0.05 -0.35 0.00 -0.15 0.00 0.00 58.65 57.77 2hko h GLN 633 Cb 1.31 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 30.00 2hko h GLN 633 CO 0.97 -0.39 1.06 -2.14 -2.65 0.00 0.00 178.83 175.68 2hko s PRO 634 N -5.06 2.23 0.50 -2.39 0.02 -1.26 -4.84 135.00 124.20 2hko s PRO 634 Ca -0.15 0.68 -0.22 0.00 0.02 0.00 0.00 61.00 61.33 2hko s PRO 634 Cb 0.02 -4.66 -0.07 0.00 0.02 0.00 0.00 34.50 29.81 2hko s PRO 634 CO 0.53 -3.38 1.18 -0.35 -0.33 0.00 0.00 177.00 174.64 2hko n PRO 635 N 9.00 1.51 -0.05 5.54 -0.04 -1.16 -4.95 135.00 144.85 2hko n PRO 635 Ca 0.35 0.55 -0.06 0.00 -0.04 0.00 0.00 63.50 64.30 2hko n PRO 635 Cb 0.50 -2.33 -0.14 0.00 -0.04 0.00 0.00 33.50 31.49 2hko n PRO 635 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hko n ALA 636 N -0.87 1.72 -3.88 0.55 0.00 -1.26 -4.81 120.51 111.96 2hko n ALA 636 Ca 0.10 -0.99 -0.28 0.00 0.00 0.00 0.00 53.44 52.27 2hko n ALA 636 Cb 0.43 -0.52 -0.17 0.00 0.00 0.00 0.00 19.45 19.20 2hko n ALA 636 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hko s VAL 637 N -2.70 1.07 -0.18 0.00 1.01 -1.26 -4.41 120.40 113.92 2hko s VAL 637 Ca -0.07 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 2hko s VAL 637 Cb 0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2hko s VAL 637 CO 0.84 0.14 0.33 -1.58 0.00 0.00 0.00 175.10 174.83 2hko s GLN 638 N 1.66 4.21 -0.04 2.72 0.74 -0.59 -4.95 119.66 123.41 2hko s GLN 638 Ca 0.01 0.12 -0.09 0.00 0.05 0.00 0.00 55.36 55.44 2hko s GLN 638 Cb -0.15 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 2hko s GLN 638 CO -0.08 0.11 0.27 -0.06 -0.55 0.00 0.00 175.29 174.98 2hko s PHE 639 N 0.86 3.63 -0.37 1.67 0.40 -1.26 -0.45 117.98 122.47 2hko s PHE 639 Ca 0.17 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2hko s PHE 639 Cb -0.14 -2.07 0.13 0.00 0.51 0.00 0.00 43.02 41.45 2hko s PHE 639 CO 0.06 0.67 0.20 0.08 0.70 0.00 0.00 175.22 176.92 2hko s VAL 640 N -1.14 0.57 0.05 -0.44 1.01 0.01 -1.40 120.40 119.07 2hko s VAL 640 Ca 0.22 -1.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.32 2hko s VAL 640 Cb -0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2hko s VAL 640 CO 0.11 -0.90 0.31 -2.16 0.00 0.00 0.00 175.10 172.46 2hko s PRO 641 N 1.04 3.61 1.07 2.72 0.04 -1.26 -2.06 135.00 140.16 2hko s PRO 641 Ca 0.16 -0.07 -0.16 0.00 0.04 0.00 0.00 61.00 60.98 2hko s PRO 641 Cb -0.22 -3.02 0.17 0.00 0.04 0.00 0.00 34.50 31.48 2hko s PRO 641 CO -0.06 0.60 0.29 -0.35 0.04 0.00 0.00 177.00 177.51 2hko n PRO 642 N 0.81 -2.37 -4.49 0.56 -0.04 -0.49 -4.87 135.00 124.11 2hko n PRO 642 Ca -0.08 -0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 62.39 2hko n PRO 642 Cb 0.52 -1.55 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2hko n PRO 642 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hko s LEU 643 N -0.79 2.31 1.12 1.53 1.43 -1.26 -5.03 118.68 117.99 2hko s LEU 643 Ca 0.43 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2hko s LEU 643 Cb -0.08 -1.25 0.26 0.00 0.03 0.00 0.00 46.19 45.16 2hko s LEU 643 CO 0.42 0.20 1.05 -2.16 0.23 0.00 0.00 176.35 176.09 2hko s PRO 644 N -1.90 -0.63 0.08 1.29 0.04 -1.26 -4.74 135.00 127.88 2hko s PRO 644 Ca 0.14 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.97 2hko s PRO 644 Cb -0.10 -1.57 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 2hko s PRO 644 CO 0.05 -3.58 1.69 1.49 0.04 0.00 0.00 177.00 176.69 2hko h GLU 645 N -2.53 -0.05 -0.80 4.56 4.57 -1.99 -2.75 114.58 115.58 2hko h GLU 645 Ca -0.58 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 57.80 2hko h GLU 645 Cb 1.32 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.87 2hko h GLU 645 CO 0.48 0.01 0.55 0.11 -1.18 0.00 0.00 179.01 178.98 2hko h TRP 646 N -0.10 0.33 -0.04 0.92 5.08 -1.99 0.31 115.95 120.45 2hko h TRP 646 Ca -0.01 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2hko h TRP 646 Cb 0.09 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 2hko h TRP 646 CO -0.06 0.10 -0.11 -0.22 -1.28 0.00 0.00 178.44 176.87 2hko h LYS 647 N 0.26 0.15 -0.15 0.12 1.63 -1.83 -2.97 116.57 113.77 2hko h LYS 647 Ca 0.40 -0.10 -0.14 0.00 -0.85 0.00 0.00 60.65 59.96 2hko h LYS 647 Cb 1.18 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2hko h LYS 647 CO -0.10 0.71 -0.51 1.79 -3.45 0.00 0.00 179.45 177.89 2hko h THR 648 N -0.39 1.33 -0.88 1.00 1.35 -1.06 -2.36 112.91 111.90 2hko h THR 648 Ca -0.00 -1.75 0.04 0.00 -0.55 0.00 0.00 66.41 64.15 2hko h THR 648 Cb 0.71 1.77 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 2hko h THR 648 CO 0.02 0.53 0.57 0.28 -0.25 0.00 0.00 175.52 176.68 2hko h SER 649 N 0.33 0.94 -0.31 5.36 0.02 -0.50 0.10 113.55 119.49 2hko h SER 649 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2hko h SER 649 Cb 1.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2hko h SER 649 CO 0.09 0.64 0.14 0.00 -1.14 0.00 0.00 176.83 176.56 2hko h ALA 650 N 1.37 0.40 -0.79 3.77 0.00 -1.34 0.19 119.26 122.86 2hko h ALA 650 Ca 0.36 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2hko h ALA 650 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2hko h ALA 650 CO -0.13 -0.03 0.52 0.28 0.00 0.00 0.00 179.25 179.89 2hko h VAL 651 N 0.36 1.17 -0.41 0.00 2.07 -0.74 0.54 116.25 119.24 2hko h VAL 651 Ca 0.11 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 2hko h VAL 651 Cb 0.13 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2hko h VAL 651 CO -0.01 0.19 -0.25 1.56 0.02 0.00 0.00 177.57 179.07 2hko h GLN 652 N 1.03 0.86 -0.08 1.57 4.20 -0.59 -3.28 115.11 118.83 2hko h GLN 652 Ca 0.30 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2hko h GLN 652 Cb -0.06 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2hko h GLN 652 CO -0.09 1.01 -0.04 0.00 -0.67 0.00 0.00 178.83 179.05 2hko h ARG 653 N 0.74 0.16 -7.14 1.46 3.08 -0.42 -3.45 114.38 108.80 2hko h ARG 653 Ca 0.09 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 2hko h ARG 653 Cb 0.80 -0.00 0.19 0.00 0.08 0.00 0.00 29.97 31.04 2hko h ARG 653 CO 0.07 0.54 0.12 -1.33 -1.07 0.00 0.00 179.97 178.30 2hko n MET 654 N -4.76 -0.13 -4.09 0.04 2.81 0.13 -4.57 117.12 106.55 2hko n MET 654 Ca -0.07 0.03 -0.28 0.00 -1.81 0.00 0.00 57.70 55.57 2hko n MET 654 Cb 0.26 -2.30 -0.06 0.00 -0.71 0.00 0.00 33.22 30.41 2hko n MET 654 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2hko s GLY 655 N -2.27 1.85 -0.27 3.03 0.00 -1.06 -4.88 107.32 103.72 2hko s GLY 655 Ca 0.68 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 2hko s GLY 655 CO 0.56 -1.15 0.11 -0.12 0.00 0.00 0.00 173.10 172.50 2hko s PHE 656 N -1.56 0.64 0.37 1.90 5.36 -1.26 -2.43 117.98 120.99 2hko s PHE 656 Ca 0.29 -0.97 -0.06 0.00 -0.96 0.00 0.00 56.93 55.22 2hko s PHE 656 Cb -0.11 -1.05 0.09 0.00 -0.34 0.00 0.00 43.02 41.61 2hko s PHE 656 CO 0.21 -0.78 0.41 0.41 -1.46 0.00 0.00 175.22 174.02 2hko n GLY 657 N 5.16 -1.82 3.24 13.12 0.00 -0.08 -4.82 105.19 119.99 2hko n GLY 657 Ca -0.06 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2hko n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hko s ASN 658 N -2.58 0.17 0.00 1.61 2.47 0.12 -0.30 114.94 116.43 2hko s ASN 658 Ca 0.25 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.57 2hko s ASN 658 Cb -0.01 0.36 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 2hko s ASN 658 CO 0.18 -0.80 0.00 -0.11 -3.72 0.00 0.00 177.10 172.65 2hko n LEU 659 N -0.13 0.00 -4.67 3.21 7.94 -1.26 -4.35 117.00 117.74 2hko n LEU 659 Ca -0.08 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.52 2hko n LEU 659 Cb 0.63 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.50 2hko n LEU 659 CO 0.26 0.00 -0.22 0.20 -1.11 0.00 0.00 177.39 176.52 2hko s ASN 660 N 0.00 3.60 0.10 1.96 0.02 -1.02 -4.64 114.94 114.95 2hko s ASN 660 Ca 0.00 -1.69 -0.10 0.00 -1.02 0.00 0.00 52.86 50.05 2hko s ASN 660 Cb 0.00 0.59 0.00 0.00 0.02 0.00 0.00 41.25 41.86 2hko s ASN 660 CO 0.00 -0.92 0.22 -0.54 0.02 0.00 0.00 177.10 175.88 2hko s LYS 661 N -3.80 0.89 -0.02 -0.60 1.02 -1.26 -2.24 119.74 113.73 2hko s LYS 661 Ca 0.12 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2hko s LYS 661 Cb 0.01 0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 37.67 2hko s LYS 661 CO 0.07 -0.29 -0.18 0.08 -0.92 0.00 0.00 175.35 174.11 2hko s VAL 662 N -3.86 1.41 -0.17 3.17 1.01 -0.17 -1.60 120.40 120.19 2hko s VAL 662 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2hko s VAL 662 Cb 0.04 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2hko s VAL 662 CO -0.10 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2hko s VAL 663 N -0.37 2.88 -0.32 2.92 1.01 0.19 -2.06 120.40 124.64 2hko s VAL 663 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2hko s VAL 663 Cb -0.07 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.13 2hko s VAL 663 CO -0.00 0.49 0.02 -0.76 0.00 0.00 0.00 175.10 174.85 2hko s LEU 664 N 1.00 4.19 -0.37 3.92 1.43 0.67 -1.95 118.68 127.57 2hko s LEU 664 Ca -0.01 -1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 51.34 2hko s LEU 664 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2hko s LEU 664 CO -0.02 -0.32 0.40 0.00 0.23 0.00 0.00 176.35 176.64 2hko s PHE 666 N 2.09 3.10 0.18 0.00 0.08 -0.34 -0.20 117.98 122.88 2hko s PHE 666 Ca 0.12 0.03 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 2hko s PHE 666 Cb -0.17 -1.58 0.13 0.00 -0.57 0.00 0.00 43.02 40.83 2hko s PHE 666 CO 0.12 0.50 1.64 -0.44 -0.10 0.00 0.00 175.22 176.94 2hko h ASP 667 N 3.39 -0.62 -3.63 1.36 3.32 -1.86 -3.44 116.42 114.93 2hko h ASP 667 Ca -0.47 0.16 -0.27 0.00 0.02 0.00 0.00 57.03 56.47 2hko h ASP 667 Cb 1.16 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 41.00 2hko h ASP 667 CO 0.63 -0.21 -0.25 -2.11 -1.72 0.00 0.00 179.24 175.58 2hko n ARG 668 N -5.38 0.29 -4.07 3.56 0.00 -1.26 -5.01 116.66 104.79 2hko n ARG 668 Ca 0.04 -2.00 -0.36 0.00 -0.00 0.00 0.00 57.85 55.53 2hko n ARG 668 Cb 0.29 1.69 -0.07 0.00 -0.00 0.00 0.00 32.46 34.36 2hko n ARG 668 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2hko s VAL 669 N -2.80 5.03 -0.29 8.89 1.01 -1.26 -4.87 120.40 126.10 2hko s VAL 669 Ca 0.23 0.03 0.17 0.00 0.00 0.00 0.00 61.98 62.41 2hko s VAL 669 Cb 0.01 -3.17 0.48 0.00 0.00 0.00 0.00 36.38 33.70 2hko s VAL 669 CO 0.17 0.60 1.10 2.22 0.00 0.00 0.00 175.10 179.18 2hko n PHE 670 N 2.15 1.74 -3.58 5.22 1.16 -1.26 -5.07 117.46 117.81 2hko n PHE 670 Ca -0.19 -2.37 -0.13 0.00 -1.87 0.00 0.00 57.45 52.89 2hko n PHE 670 Cb 0.54 -0.27 -0.05 0.00 -1.61 0.00 0.00 39.48 38.09 2hko n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2hko s TRP 671 N -3.61 -0.36 0.13 2.97 -2.14 -1.26 -4.98 118.94 109.69 2hko s TRP 671 Ca 0.34 0.26 -0.31 0.00 2.66 0.00 0.00 56.10 59.05 2hko s TRP 671 Cb 0.37 0.33 -0.10 0.00 -3.10 0.00 0.00 33.47 30.97 2hko s TRP 671 CO -0.02 -0.67 1.74 -0.51 -2.66 0.00 0.00 176.95 174.82 2hko s ASP 672 N -2.29 6.48 0.49 -2.66 1.01 -1.26 -4.85 116.67 113.59 2hko s ASP 672 Ca -0.02 2.69 0.23 0.00 0.71 0.00 0.00 52.55 56.16 2hko s ASP 672 Cb -0.00 -2.57 1.26 0.00 1.01 0.00 0.00 42.92 42.61 2hko s ASP 672 CO -0.06 -0.95 2.02 -0.65 0.21 0.00 0.00 175.17 175.74 2hko h PRO 673 N 8.01 0.00 0.00 8.23 0.11 -2.01 0.98 132.00 147.32 2hko h PRO 673 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2hko h PRO 673 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hko h PRO 673 CO 0.94 0.16 -0.08 0.66 -0.21 0.00 0.00 178.00 179.48 2hko h SER 674 N 0.00 0.00 -3.44 -2.05 4.64 -2.02 -3.41 113.55 107.27 2hko h SER 674 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2hko h SER 674 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.36 2hko h SER 674 CO 0.02 0.08 0.25 0.68 -0.87 0.00 0.00 176.83 176.99 2hko s VAL 675 N -3.79 4.93 -0.21 0.95 -7.23 0.34 -4.90 120.40 110.48 2hko s VAL 675 Ca -0.00 1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 61.22 2hko s VAL 675 Cb 0.10 -4.00 -0.19 0.00 0.56 0.00 0.00 36.38 32.85 2hko s VAL 675 CO 0.56 -0.05 0.08 0.59 -0.31 0.00 0.00 175.10 175.97 2hko n ASN 676 N 5.85 1.96 -1.15 4.85 5.03 -1.26 -4.70 115.26 125.84 2hko n ASN 676 Ca 0.01 0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.75 2hko n ASN 676 Cb 0.49 -0.85 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 2hko n ASN 676 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2hko n LEU 677 N -4.02 0.00 0.00 3.41 4.77 -1.25 -1.41 117.00 118.50 2hko n LEU 677 Ca -0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2hko n LEU 677 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2hko n LEU 677 CO 0.22 -0.13 0.00 2.22 -1.33 0.00 0.00 177.39 178.38 2hko n PHE 678 N -0.25 0.00 -3.47 -1.77 1.16 -1.22 -4.55 117.46 107.36 2hko n PHE 678 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 2hko n PHE 678 Cb 0.00 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 2hko n PHE 678 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2hko s GLY 679 N 0.00 1.62 -0.16 4.97 0.00 -0.87 -2.00 107.32 110.88 2hko s GLY 679 Ca 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 2hko s GLY 679 CO 0.00 -1.39 -0.02 -1.58 0.00 0.00 0.00 173.10 170.10 2hko s HIS 680 N -2.19 3.06 -0.33 1.90 2.46 -0.81 -1.92 115.29 117.45 2hko s HIS 680 Ca 0.45 -0.23 -0.23 0.00 0.47 0.00 0.00 55.06 55.52 2hko s HIS 680 Cb -0.09 -1.97 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2hko s HIS 680 CO 0.31 0.01 0.76 0.08 -2.47 0.00 0.00 174.74 173.43 2hko s VAL 681 N 0.31 4.79 0.45 0.89 1.01 -0.65 -4.53 120.40 122.66 2hko s VAL 681 Ca -0.03 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 2hko s VAL 681 Cb -0.14 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 2hko s VAL 681 CO 0.03 -0.33 1.07 -0.83 0.00 0.00 0.00 175.10 175.04 2hko s GLY 682 N 1.73 2.67 -0.01 4.51 0.00 -1.26 -3.25 107.32 111.70 2hko s GLY 682 Ca 0.31 0.72 -0.23 0.00 0.00 0.00 0.00 44.72 45.52 2hko s GLY 682 CO 0.15 1.11 1.06 1.48 0.00 0.00 0.00 173.10 176.90 2hko h SER 683 N 2.04 -0.32 -3.04 1.64 4.64 -1.90 -3.46 113.55 113.15 2hko h SER 683 Ca -0.49 -0.21 -0.63 0.00 -0.47 0.00 0.00 61.79 59.99 2hko h SER 683 Cb 1.23 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.33 2hko h SER 683 CO 0.61 0.11 -0.55 -0.89 -0.87 0.00 0.00 176.83 175.24 2hko s THR 684 N -4.15 4.96 0.13 2.95 2.01 -1.26 -4.91 115.64 115.38 2hko s THR 684 Ca -0.13 -0.58 0.33 0.00 0.31 0.00 0.00 61.69 61.62 2hko s THR 684 Cb 0.01 -3.41 0.35 0.00 0.01 0.00 0.00 72.50 69.46 2hko s THR 684 CO 0.49 0.13 2.00 0.74 -0.69 0.00 0.00 174.62 177.30 2hko h THR 685 N 2.32 0.00 0.05 -0.82 2.02 -1.97 -1.63 112.91 112.88 2hko h THR 685 Ca -0.46 -0.18 -0.30 0.00 0.77 0.00 0.00 66.41 66.24 2hko h THR 685 Cb 1.16 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 2hko h THR 685 CO 0.71 0.00 -1.63 0.00 0.37 0.00 0.00 175.52 174.97 2hko h ALA 686 N 2.05 0.55 -0.94 6.16 0.00 -1.99 -3.31 119.26 121.77 2hko h ALA 686 Ca 0.00 -1.30 -0.52 0.00 0.00 0.00 0.00 54.91 53.09 2hko h ALA 686 Cb 0.21 0.40 -0.29 0.00 0.00 0.00 0.00 17.79 18.11 2hko h ALA 686 CO 0.00 1.39 0.67 0.43 0.00 0.00 0.00 179.25 181.74 2hko n SER 687 N -3.25 4.63 -0.17 0.00 7.64 -0.68 -4.56 113.62 117.23 2hko n SER 687 Ca -0.17 -3.56 -0.02 0.00 1.01 0.00 0.00 58.87 56.14 2hko n SER 687 Cb 1.04 -0.86 0.06 0.00 -1.01 0.00 0.00 64.21 63.44 2hko n SER 687 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2hko h ARG 688 N 1.18 0.09 -1.01 1.43 3.08 -1.48 -3.01 114.38 114.66 2hko h ARG 688 Ca 0.59 -0.01 -0.59 0.00 0.07 0.00 0.00 59.98 60.04 2hko h ARG 688 Cb 2.30 -0.02 -0.29 0.00 0.08 0.00 0.00 29.97 32.03 2hko h ARG 688 CO 1.15 0.06 0.76 0.41 -1.07 0.00 0.00 179.97 181.28 2hko n GLY 689 N -1.34 5.18 3.36 0.04 0.00 -1.26 -4.49 105.19 106.68 2hko n GLY 689 Ca 0.06 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.93 2hko n GLY 689 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hko s GLU 690 N -3.52 3.03 -1.30 1.61 2.12 -1.14 0.45 118.70 119.94 2hko s GLU 690 Ca 0.60 -1.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 2hko s GLU 690 Cb 0.49 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2hko s GLU 690 CO 0.05 -1.42 0.28 1.28 -0.54 0.00 0.00 175.26 174.90 2hko n LEU 691 N 5.89 -2.15 0.00 2.70 4.77 0.12 -4.87 117.00 123.46 2hko n LEU 691 Ca -0.11 -0.14 0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2hko n LEU 691 Cb 0.42 -2.44 0.63 0.00 -2.33 0.00 0.00 43.42 39.69 2hko n LEU 691 CO 0.56 0.03 0.82 2.22 -1.33 0.00 0.00 177.39 179.69 2hko n PHE 692 N -4.15 0.00 -3.62 -1.77 -1.74 -1.19 -4.26 117.46 100.73 2hko n PHE 692 Ca -0.13 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.61 2hko n PHE 692 Cb 0.62 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.55 2hko n PHE 692 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2hko s LEU 693 N -1.98 -0.50 -0.09 5.98 2.96 -1.26 -1.93 118.68 121.86 2hko s LEU 693 Ca 0.32 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 2hko s LEU 693 Cb 0.15 2.29 0.01 0.00 0.50 0.00 0.00 46.19 49.14 2hko s LEU 693 CO 0.24 -0.34 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.42 2hko s PHE 694 N -0.12 1.91 0.25 5.38 0.40 -0.85 -0.70 117.98 124.25 2hko s PHE 694 Ca -0.03 -0.80 0.06 0.00 -0.60 0.00 0.00 56.93 55.55 2hko s PHE 694 Cb -0.03 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 2hko s PHE 694 CO 0.03 -0.38 0.32 -1.58 0.70 0.00 0.00 175.22 174.31 2hko s TRP 695 N 0.71 3.34 0.00 0.36 0.52 0.29 -3.42 118.94 120.73 2hko s TRP 695 Ca -0.13 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 55.94 2hko s TRP 695 Cb -0.16 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 2hko s TRP 695 CO 0.03 0.44 0.00 -1.71 0.02 0.00 0.00 176.95 175.73 2hko n ASN 696 N -1.36 0.00 -0.23 2.95 5.15 -0.50 -1.57 115.26 119.71 2hko n ASN 696 Ca -0.08 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.08 2hko n ASN 696 Cb 0.57 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.11 2hko n ASN 696 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2hko n LEU 697 N 0.00 0.03 -4.55 1.20 7.94 -1.25 -3.87 117.00 116.50 2hko n LEU 697 Ca 0.00 0.43 -0.37 0.00 -1.11 0.00 0.00 56.01 54.96 2hko n LEU 697 Cb 0.00 -0.21 -0.04 0.00 0.53 0.00 0.00 43.42 43.70 2hko n LEU 697 CO 0.00 -0.45 2.03 -1.22 -1.11 0.00 0.00 177.39 176.64 2hko n TYR 698 N -2.98 1.41 -0.31 1.96 4.02 -1.26 -4.70 117.16 115.30 2hko n TYR 698 Ca 0.16 0.12 -0.14 0.00 -0.01 0.00 0.00 57.90 58.04 2hko n TYR 698 Cb 0.69 -2.63 -0.02 0.00 -0.02 0.00 0.00 39.34 37.36 2hko n TYR 698 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2hko n LYS 699 N 8.95 0.58 -3.78 -0.72 5.02 -1.25 -4.39 118.16 122.57 2hko n LYS 699 Ca 0.39 -0.87 -0.02 0.00 -2.02 0.00 0.00 58.31 55.78 2hko n LYS 699 Cb 0.50 -2.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2hko n LYS 699 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hko s ALA 700 N 4.89 -1.77 0.00 7.82 0.00 -1.26 -5.04 121.76 126.40 2hko s ALA 700 Ca 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2hko s ALA 700 Cb 0.05 0.64 -0.11 0.00 0.00 0.00 0.00 23.12 23.70 2hko s ALA 700 CO 0.05 -1.06 2.19 -0.35 0.00 0.00 0.00 175.76 176.59 2hko n PRO 701 N -0.57 1.13 -4.90 0.00 -0.04 -1.26 -4.84 135.00 124.52 2hko n PRO 701 Ca -0.05 -0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 62.67 2hko n PRO 701 Cb 0.61 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2hko n PRO 701 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hko s ILE 702 N 1.12 2.91 -0.05 0.52 1.01 -1.26 -1.20 121.20 124.25 2hko s ILE 702 Ca 0.27 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.22 2hko s ILE 702 Cb 0.13 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 2hko s ILE 702 CO 0.00 0.56 -0.18 -0.22 0.00 0.00 0.00 174.94 175.09 2hko s LEU 703 N -0.17 1.93 -0.20 2.97 2.96 -0.17 -4.40 118.68 121.60 2hko s LEU 703 Ca -0.01 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2hko s LEU 703 Cb -0.13 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.51 2hko s LEU 703 CO 0.03 0.15 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.31 2hko s LEU 704 N 0.11 2.44 -0.15 -0.68 1.43 -0.61 -0.24 118.68 120.98 2hko s LEU 704 Ca -0.07 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2hko s LEU 704 Cb -0.13 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2hko s LEU 704 CO 0.03 -0.02 0.11 0.00 0.23 0.00 0.00 176.35 176.70 2hko s ALA 705 N 1.33 3.69 0.26 4.21 0.00 -0.88 0.10 121.76 130.47 2hko s ALA 705 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2hko s ALA 705 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 2hko s ALA 705 CO -0.10 0.41 0.22 -0.51 0.00 0.00 0.00 175.76 175.78 2hko s LEU 706 N -0.38 3.84 -0.10 0.00 1.43 0.13 -1.00 118.68 122.59 2hko s LEU 706 Ca 0.11 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2hko s LEU 706 Cb -0.12 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.76 2hko s LEU 706 CO 0.01 -0.06 0.00 -0.69 0.23 0.00 0.00 176.35 175.84 2hko s VAL 707 N -2.14 0.47 0.45 -1.59 1.01 -0.95 -0.71 120.40 116.95 2hko s VAL 707 Ca 0.34 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2hko s VAL 707 Cb -0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2hko s VAL 707 CO 0.25 0.17 0.06 0.00 0.00 0.00 0.00 175.10 175.58 2hko s ALA 708 N 1.92 3.49 0.00 5.51 0.00 0.17 -2.43 121.76 130.43 2hko s ALA 708 Ca 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2hko s ALA 708 Cb -0.13 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2hko s ALA 708 CO -0.06 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2hko n GLY 709 N -1.08 0.81 0.38 0.00 0.00 -1.26 -2.59 105.19 101.45 2hko n GLY 709 Ca -0.12 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.26 2hko n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hko h GLU 710 N 0.00 0.00 -0.03 1.61 5.08 -1.95 0.20 114.58 119.49 2hko h GLU 710 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2hko h GLU 710 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2hko h GLU 710 CO 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 179.01 177.37 2hko h ALA 711 N 0.82 0.87 -0.68 3.43 0.00 -1.74 -3.33 119.26 118.64 2hko h ALA 711 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2hko h ALA 711 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2hko h ALA 711 CO -0.00 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2hko n ALA 712 N -2.45 -0.08 -0.30 0.00 0.00 0.72 -1.02 120.51 117.38 2hko n ALA 712 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2hko n ALA 712 Cb 0.64 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.44 2hko n ALA 712 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hko n GLY 713 N -0.98 -2.88 0.23 0.00 0.00 -1.26 -3.24 105.19 97.05 2hko n GLY 713 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 2hko n GLY 713 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hko n ILE 714 N -1.89 -0.35 0.33 -0.61 5.41 -1.21 0.58 119.36 121.62 2hko n ILE 714 Ca 0.00 1.34 0.20 0.00 1.00 0.00 0.00 62.75 65.30 2hko n ILE 714 Cb 0.00 -1.71 1.08 0.00 -0.71 0.00 0.00 39.64 38.30 2hko n ILE 714 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2hko h MET 715 N 0.00 0.00 0.00 0.38 2.86 -1.08 -0.17 114.93 116.92 2hko h MET 715 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2hko h MET 715 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2hko h MET 715 CO -0.54 0.00 0.00 0.93 1.06 0.00 0.00 176.91 178.36 2hko h GLU 716 N 0.00 0.00 -1.07 1.72 5.08 0.16 -2.33 114.58 118.14 2hko h GLU 716 Ca 0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.06 2hko h GLU 716 Cb 0.22 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.30 2hko h GLU 716 CO -0.00 0.00 0.39 0.09 -1.00 0.00 0.00 179.01 178.49 2hko n ASN 717 N -2.93 3.93 -3.98 1.42 4.13 -0.08 -4.88 115.26 112.87 2hko n ASN 717 Ca -0.02 -2.95 -0.21 0.00 1.68 0.00 0.00 54.58 53.09 2hko n ASN 717 Cb 0.14 -0.75 -0.16 0.00 -1.54 0.00 0.00 39.78 37.48 2hko n ASN 717 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2hko s ILE 718 N -1.98 0.80 0.30 2.41 1.01 -0.88 -5.11 121.20 117.74 2hko s ILE 718 Ca 0.33 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.37 2hko s ILE 718 Cb 0.27 -0.74 -0.13 0.00 0.01 0.00 0.00 42.46 41.87 2hko s ILE 718 CO 0.05 0.26 1.13 -0.24 0.00 0.00 0.00 174.94 176.14 2hko n SER 719 N 3.59 1.85 -0.22 3.58 2.88 -1.26 -4.74 113.62 119.30 2hko n SER 719 Ca -0.21 1.19 0.03 0.00 -1.33 0.00 0.00 58.87 58.54 2hko n SER 719 Cb 0.53 -1.36 0.14 0.00 -0.75 0.00 0.00 64.21 62.77 2hko n SER 719 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2hko h ASP 720 N 2.33 -0.03 -0.23 -3.46 3.32 -1.98 -1.46 116.42 114.91 2hko h ASP 720 Ca -0.42 0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.82 2hko h ASP 720 Cb 1.32 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.99 2hko h ASP 720 CO 0.62 -0.02 -0.17 0.44 -1.72 0.00 0.00 179.24 178.39 2hko h ASP 721 N 0.25 -0.54 -0.95 6.45 3.32 -1.99 0.19 116.42 123.14 2hko h ASP 721 Ca 0.35 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2hko h ASP 721 Cb 0.56 0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 2hko h ASP 721 CO -0.46 -0.21 0.61 0.58 -1.72 0.00 0.00 179.24 178.04 2hko h VAL 722 N -0.16 1.25 -0.33 -1.35 2.07 -1.68 0.55 116.25 116.61 2hko h VAL 722 Ca 0.13 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2hko h VAL 722 Cb 0.36 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2hko h VAL 722 CO -0.33 0.25 -0.01 0.40 0.02 0.00 0.00 177.57 177.90 2hko h ILE 723 N 1.30 1.26 -0.03 4.57 2.04 -0.61 -2.72 117.51 123.33 2hko h ILE 723 Ca 0.35 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2hko h ILE 723 Cb -0.12 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2hko h ILE 723 CO -0.07 0.32 -0.04 0.58 0.00 0.00 0.00 178.15 178.95 2hko h VAL 724 N 0.38 0.90 -0.76 1.67 2.07 -0.24 -2.66 116.25 117.62 2hko h VAL 724 Ca 0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.77 2hko h VAL 724 Cb 0.47 0.90 -0.14 0.00 -1.52 0.00 0.00 31.29 30.99 2hko h VAL 724 CO 0.02 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.71 2hko h GLY 725 N -0.05 0.65 1.44 2.17 0.00 -0.77 0.61 103.07 107.11 2hko h GLY 725 Ca 0.02 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2hko h GLY 725 CO -0.06 -0.29 0.26 3.21 0.00 0.00 0.00 176.54 179.66 2hko h ARG 726 N 0.03 0.29 0.13 4.80 3.08 -1.16 -0.43 114.38 121.11 2hko h ARG 726 Ca 0.38 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.41 2hko h ARG 726 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2hko h ARG 726 CO -0.75 0.19 -0.06 0.00 -1.07 0.00 0.00 179.97 178.28 2hko h LEU 728 N -0.65 0.88 0.22 0.00 3.38 -0.81 0.41 115.31 118.74 2hko h LEU 728 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2hko h LEU 728 Cb 0.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2hko h LEU 728 CO 0.03 0.52 -0.24 0.00 0.09 0.00 0.00 178.44 178.84 2hko h ALA 729 N 1.48 -0.47 -0.74 1.53 0.00 -1.03 0.46 119.26 120.48 2hko h ALA 729 Ca 0.44 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2hko h ALA 729 Cb 0.33 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2hko h ALA 729 CO -0.22 -0.80 0.41 0.82 0.00 0.00 0.00 179.25 179.46 2hko h ILE 730 N -0.49 0.93 -0.10 0.00 2.04 -0.41 -2.20 117.51 117.28 2hko h ILE 730 Ca 0.00 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2hko h ILE 730 Cb 0.47 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2hko h ILE 730 CO -0.07 0.13 -0.15 -0.07 0.00 0.00 0.00 178.15 178.00 2hko h LEU 731 N 0.73 0.30 -2.12 1.44 3.38 -0.59 -2.91 115.31 115.54 2hko h LEU 731 Ca 0.35 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2hko h LEU 731 Cb 0.28 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2hko h LEU 731 CO -0.22 0.77 0.31 0.11 0.09 0.00 0.00 178.44 179.50 2hko h LYS 732 N -0.16 0.00 -0.03 1.13 1.57 0.20 0.76 116.57 120.03 2hko h LYS 732 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2hko h LYS 732 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2hko h LYS 732 CO 0.03 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 2hko n GLY 733 N -1.28 -0.79 0.00 3.86 0.00 -0.85 -0.80 105.19 105.34 2hko n GLY 733 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2hko n GLY 733 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hko n ILE 734 N -0.53 0.00 -0.17 -0.61 5.41 0.26 -3.84 119.36 119.88 2hko n ILE 734 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2hko n ILE 734 Cb 0.08 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 2hko n ILE 734 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2hko n PHE 735 N -1.34 0.00 -0.88 1.39 3.72 -1.04 -5.03 117.46 114.28 2hko n PHE 735 Ca 0.00 -0.31 0.02 0.00 -0.05 0.00 0.00 57.45 57.11 2hko n PHE 735 Cb 0.23 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 2hko n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hko n GLY 736 N -0.31 -3.44 0.31 1.37 0.00 0.02 -4.05 105.19 99.10 2hko n GLY 736 Ca 0.00 -1.08 0.29 0.00 0.00 0.00 0.00 46.02 45.24 2hko n GLY 736 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hko n SER 737 N -2.36 0.30 0.10 1.61 3.41 -1.23 -2.41 113.62 113.04 2hko n SER 737 Ca -0.01 1.59 0.07 0.00 -0.26 0.00 0.00 58.87 60.26 2hko n SER 737 Cb 0.30 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 2hko n SER 737 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hko h SER 738 N 0.00 0.00 -0.08 4.04 4.64 -1.94 -3.35 113.55 116.86 2hko h SER 738 Ca 0.80 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 62.07 2hko h SER 738 Cb 2.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.14 2hko h SER 738 CO -0.75 0.24 0.06 0.00 -0.87 0.00 0.00 176.83 175.52 2hko n ALA 739 N -2.25 3.45 -2.90 5.18 0.00 -1.01 -4.38 120.51 118.60 2hko n ALA 739 Ca -0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2hko n ALA 739 Cb 0.66 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 2hko n ALA 739 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2hko n VAL 740 N 0.81 -0.28 -0.41 0.00 0.24 -1.26 -4.81 118.33 112.63 2hko n VAL 740 Ca 0.05 -1.76 -0.29 0.00 -2.04 0.00 0.00 64.34 60.30 2hko n VAL 740 Cb 0.56 0.40 0.28 0.00 -1.47 0.00 0.00 33.84 33.61 2hko n VAL 740 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2hko s PRO 741 N 0.54 -2.21 0.51 7.34 0.04 -1.26 -4.96 135.00 135.00 2hko s PRO 741 Ca 0.31 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.62 2hko s PRO 741 Cb 0.07 -1.43 -0.08 0.00 0.04 0.00 0.00 34.50 33.10 2hko s PRO 741 CO -0.12 -4.48 1.00 -1.14 0.04 0.00 0.00 177.00 172.30 2hko s GLN 742 N -4.77 3.83 0.65 4.56 0.74 -1.26 -5.01 119.66 118.40 2hko s GLN 742 Ca 0.69 1.10 -0.17 0.00 0.05 0.00 0.00 55.36 57.02 2hko s GLN 742 Cb -0.19 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.80 2hko s GLN 742 CO 0.61 -0.38 1.21 -1.25 -0.55 0.00 0.00 175.29 174.93 2hko s PRO 743 N -3.80 2.64 -0.02 1.67 0.04 -1.26 -4.76 135.00 129.50 2hko s PRO 743 Ca 0.62 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.47 2hko s PRO 743 Cb -0.12 -1.89 -0.25 0.00 0.04 0.00 0.00 34.50 32.28 2hko s PRO 743 CO 0.28 -1.46 0.75 0.87 0.04 0.00 0.00 177.00 177.49 2hko h LYS 744 N 0.38 0.13 -3.48 4.56 1.79 -0.95 -3.47 116.57 115.53 2hko h LYS 744 Ca -0.49 -0.23 -0.20 0.00 -2.18 0.00 0.00 60.65 57.55 2hko h LYS 744 Cb 1.30 0.08 -0.27 0.00 -1.58 0.00 0.00 32.23 31.76 2hko h LYS 744 CO 0.53 0.89 -0.60 -1.21 -1.08 0.00 0.00 179.45 177.98 2hko s GLU 745 N -2.61 0.12 -0.00 3.15 0.41 -1.17 -5.04 118.70 113.56 2hko s GLU 745 Ca -0.08 0.14 -0.03 0.00 -0.41 0.00 0.00 54.97 54.58 2hko s GLU 745 Cb 0.08 0.06 -0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2hko s GLU 745 CO 0.83 -0.01 0.06 -0.08 -0.49 0.00 0.00 175.26 175.56 2hko s THR 746 N 0.04 0.07 -0.04 3.63 -1.32 -1.26 -0.94 115.64 115.82 2hko s THR 746 Ca -0.00 -0.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.87 2hko s THR 746 Cb -0.01 -0.28 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 2hko s THR 746 CO 0.00 -0.31 0.12 -0.69 -2.21 0.00 0.00 174.62 171.53 2hko s VAL 747 N -1.00 0.01 -0.09 5.08 1.01 -0.82 -4.95 120.40 119.63 2hko s VAL 747 Ca -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2hko s VAL 747 Cb -0.06 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2hko s VAL 747 CO 0.00 -0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.25 2hko s VAL 748 N -0.06 1.26 0.27 2.92 1.01 -1.26 0.53 120.40 125.07 2hko s VAL 748 Ca -0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2hko s VAL 748 Cb -0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 2hko s VAL 748 CO 0.00 0.39 0.56 -0.94 0.00 0.00 0.00 175.10 175.11 2hko s SER 749 N 0.93 6.50 -0.43 3.32 1.04 -0.63 -5.01 113.70 119.43 2hko s SER 749 Ca -0.09 0.79 0.07 0.00 0.48 0.00 0.00 55.95 57.21 2hko s SER 749 Cb -0.15 -2.18 0.25 0.00 0.10 0.00 0.00 66.02 64.05 2hko s SER 749 CO 0.00 -0.17 0.67 0.54 0.98 0.00 0.00 173.24 175.27 2hko n ARG 750 N -0.70 0.75 0.08 4.02 1.74 -1.26 -4.36 116.66 116.94 2hko n ARG 750 Ca -0.01 -2.67 0.06 0.00 -0.77 0.00 0.00 57.85 54.46 2hko n ARG 750 Cb 0.53 -1.31 0.31 0.00 -1.02 0.00 0.00 32.46 30.97 2hko n ARG 750 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2hko n TRP 751 N 1.44 0.38 0.03 -1.55 7.02 -1.26 -2.19 117.44 121.31 2hko n TRP 751 Ca 0.17 0.20 -0.21 0.00 -1.02 0.00 0.00 57.50 56.63 2hko n TRP 751 Cb 0.57 -0.81 -0.14 0.00 -2.42 0.00 0.00 31.31 28.51 2hko n TRP 751 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2hko h ARG 752 N 0.00 0.30 0.00 -0.99 9.65 -1.86 2.21 114.38 123.70 2hko h ARG 752 Ca 0.00 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2hko h ARG 752 Cb 0.02 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2hko h ARG 752 CO 0.00 1.23 0.00 0.00 2.80 0.00 0.00 179.97 184.00 2hko h ALA 753 N 0.12 1.00 -2.02 2.80 0.00 -1.81 -3.38 119.26 115.98 2hko h ALA 753 Ca -0.39 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 2hko h ALA 753 Cb 2.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 2hko h ALA 753 CO 0.12 0.00 1.02 0.34 0.00 0.00 0.00 179.25 180.73 2hko s ASP 754 N -4.71 6.60 0.39 0.00 -1.08 -1.02 -4.90 116.67 111.95 2hko s ASP 754 Ca 0.07 1.44 0.09 0.00 -0.52 0.00 0.00 52.55 53.63 2hko s ASP 754 Cb 0.10 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.87 2hko s ASP 754 CO 0.52 -1.10 1.97 1.55 0.52 0.00 0.00 175.17 178.62 2hko h PRO 755 N 9.70 0.61 -0.01 4.34 0.13 -1.91 0.76 132.00 145.62 2hko h PRO 755 Ca -0.29 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2hko h PRO 755 Cb 1.12 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2hko h PRO 755 CO 1.01 0.40 0.00 0.91 -0.23 0.00 0.00 178.00 180.09 2hko n TRP 756 N -4.48 0.01 0.04 1.56 5.03 -1.26 -4.37 117.44 113.96 2hko n TRP 756 Ca 0.10 -0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.63 2hko n TRP 756 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.55 2hko n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2hko n ALA 757 N -0.82 3.00 -2.44 6.99 0.00 -0.63 -4.74 120.51 121.86 2hko n ALA 757 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 2hko n ALA 757 Cb 0.13 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2hko n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hko n ARG 758 N -2.90 -1.91 -1.60 0.00 5.12 0.26 -4.05 116.66 111.57 2hko n ARG 758 Ca 0.00 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 2hko n ARG 758 Cb 0.08 -5.14 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 2hko n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hko n GLY 759 N -1.10 0.26 0.20 -0.13 0.00 0.75 -4.69 105.19 100.48 2hko n GLY 759 Ca -0.16 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.26 2hko n GLY 759 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hko n SER 760 N 1.09 0.06 -3.22 1.61 7.64 0.59 -4.48 113.62 116.91 2hko n SER 760 Ca 0.00 0.01 -0.07 0.00 1.01 0.00 0.00 58.87 59.82 2hko n SER 760 Cb 0.00 -0.41 0.01 0.00 -1.01 0.00 0.00 64.21 62.80 2hko n SER 760 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2hko s TYR 761 N -1.06 0.03 0.78 1.43 -0.85 -1.25 -5.00 117.35 111.42 2hko s TYR 761 Ca -0.01 -0.61 -0.11 0.00 -0.52 0.00 0.00 57.07 55.81 2hko s TYR 761 Cb 0.00 0.79 0.06 0.00 0.38 0.00 0.00 41.96 43.18 2hko s TYR 761 CO 0.01 -1.39 1.09 -1.54 -1.52 0.00 0.00 175.55 172.20 2hko s SER 762 N -3.07 4.69 -0.04 -0.18 1.04 -1.26 -0.91 113.70 113.99 2hko s SER 762 Ca 0.15 1.35 -0.21 0.00 0.48 0.00 0.00 55.95 57.72 2hko s SER 762 Cb -0.05 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 64.00 2hko s SER 762 CO 0.09 -1.85 0.46 -0.72 0.98 0.00 0.00 173.24 172.21 2hko s TYR 763 N -3.15 -0.39 -0.46 5.02 -0.85 -1.02 -4.66 117.35 111.84 2hko s TYR 763 Ca 0.60 0.65 -0.28 0.00 -0.52 0.00 0.00 57.07 57.52 2hko s TYR 763 Cb -0.14 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.43 2hko s TYR 763 CO 0.54 -0.47 1.45 0.08 -1.52 0.00 0.00 175.55 175.63 2hko s VAL 764 N -1.21 3.82 0.47 -3.49 1.01 -1.26 -2.57 120.40 117.17 2hko s VAL 764 Ca -0.12 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 2hko s VAL 764 Cb -0.03 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2hko s VAL 764 CO 0.06 -0.88 1.02 0.00 0.00 0.00 0.00 175.10 175.31 2hko s ALA 765 N 5.88 2.92 0.18 5.51 0.00 -1.26 -1.27 121.76 133.72 2hko s ALA 765 Ca 0.60 0.58 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2hko s ALA 765 Cb -0.13 -3.24 0.46 0.00 0.00 0.00 0.00 23.12 20.21 2hko s ALA 765 CO 0.30 -0.23 0.92 0.00 0.00 0.00 0.00 175.76 176.75 2hko n ALA 766 N -0.84 0.31 -1.05 0.00 0.00 -0.80 0.53 120.51 118.66 2hko n ALA 766 Ca 0.09 0.63 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 2hko n ALA 766 Cb 0.53 -0.46 0.31 0.00 0.00 0.00 0.00 19.45 19.82 2hko n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hko n GLY 767 N -1.29 3.67 3.45 0.00 0.00 -1.26 -4.54 105.19 105.22 2hko n GLY 767 Ca 0.14 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 2hko n GLY 767 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hko s SER 768 N -1.12 2.97 0.32 1.61 0.15 0.19 -4.98 113.70 112.83 2hko s SER 768 Ca 0.54 -1.19 0.07 0.00 0.70 0.00 0.00 55.95 56.07 2hko s SER 768 Cb 0.43 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2hko s SER 768 CO 0.13 -0.30 0.27 -0.94 1.20 0.00 0.00 173.24 173.59 2hko s SER 769 N -3.48 1.58 0.54 5.45 1.04 -1.26 -4.66 113.70 112.91 2hko s SER 769 Ca 0.30 -1.74 0.19 0.00 0.48 0.00 0.00 55.95 55.19 2hko s SER 769 Cb 0.03 0.54 1.40 0.00 0.10 0.00 0.00 66.02 68.10 2hko s SER 769 CO 0.13 -1.05 2.17 1.23 0.98 0.00 0.00 173.24 176.70 2hko h GLY 770 N 2.17 0.00 0.88 7.32 0.00 -1.98 -0.78 103.07 110.68 2hko h GLY 770 Ca -0.26 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.23 2hko h GLY 770 CO 0.38 0.00 0.41 3.43 0.00 0.00 0.00 176.54 180.75 2hko h ASN 771 N 0.00 0.03 0.57 0.19 2.35 -2.00 0.13 115.58 116.85 2hko h ASN 771 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2hko h ASN 771 Cb 0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2hko h ASN 771 CO 0.00 0.01 -0.39 0.44 -1.65 0.00 0.00 177.43 175.84 2hko h ASP 772 N 0.03 0.00 0.91 5.81 5.19 -1.54 -1.43 116.42 125.39 2hko h ASP 772 Ca 0.27 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.57 2hko h ASP 772 Cb 1.05 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.54 2hko h ASP 772 CO -0.01 0.39 -0.51 1.88 -3.12 0.00 0.00 179.24 177.87 2hko h TYR 773 N 0.00 0.00 -0.05 4.55 -1.99 -0.86 -2.06 116.97 116.56 2hko h TYR 773 Ca -0.00 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.52 2hko h TYR 773 Cb 0.78 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 2hko h TYR 773 CO 0.00 0.51 -0.82 -0.44 -0.00 0.00 0.00 178.16 177.41 2hko h ASP 774 N 0.00 0.52 -0.44 3.88 3.32 -1.10 -2.83 116.42 119.77 2hko h ASP 774 Ca -0.01 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 2hko h ASP 774 Cb 1.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2hko h ASP 774 CO 0.07 1.14 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.55 2hko h LEU 775 N 0.27 0.86 -2.28 1.55 3.38 -1.12 -1.76 115.31 116.21 2hko h LEU 775 Ca -0.05 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2hko h LEU 775 Cb 1.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2hko h LEU 775 CO 0.14 1.02 -0.01 0.24 0.09 0.00 0.00 178.44 179.92 2hko h MET 776 N 0.68 0.00 0.02 1.13 2.86 -1.34 -2.64 114.93 115.64 2hko h MET 776 Ca 0.11 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.46 2hko h MET 776 Cb 0.64 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2hko h MET 776 CO 0.04 0.01 -1.67 0.00 1.06 0.00 0.00 176.91 176.34 2hko h ALA 777 N 1.99 0.69 -2.34 6.32 0.00 -1.16 -3.43 119.26 121.34 2hko h ALA 777 Ca -0.00 -1.41 -0.57 0.00 0.00 0.00 0.00 54.91 52.93 2hko h ALA 777 Cb 0.24 0.45 0.06 0.00 0.00 0.00 0.00 17.79 18.54 2hko h ALA 777 CO 0.00 1.52 0.84 0.94 0.00 0.00 0.00 179.25 182.55 2hko n GLN 778 N -3.13 2.26 -1.49 0.00 7.27 -0.72 -4.34 117.38 117.25 2hko n GLN 778 Ca -0.17 0.82 -0.29 0.00 0.07 0.00 0.00 57.00 57.43 2hko n GLN 778 Cb 1.04 -2.60 0.16 0.00 2.41 0.00 0.00 30.24 31.25 2hko n GLN 778 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2hko s PRO 779 N 0.95 0.77 -0.10 3.69 0.04 -1.26 -4.70 135.00 134.39 2hko s PRO 779 Ca 0.78 0.21 0.03 0.00 0.04 0.00 0.00 61.00 62.06 2hko s PRO 779 Cb -0.65 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.09 2hko s PRO 779 CO 0.37 -2.44 -0.21 0.42 0.04 0.00 0.00 177.00 175.18 2hko s ILE 780 N -3.27 1.85 0.00 0.56 1.01 0.31 -5.02 121.20 116.64 2hko s ILE 780 Ca 0.66 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 2hko s ILE 780 Cb -0.14 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 2hko s ILE 780 CO 0.54 0.51 0.46 -0.89 0.00 0.00 0.00 174.94 175.56 2hko s THR 781 N 0.54 4.98 -0.81 2.92 2.01 -1.26 -2.02 115.64 122.00 2hko s THR 781 Ca -0.15 0.96 0.17 0.00 0.31 0.00 0.00 61.69 62.98 2hko s THR 781 Cb -0.17 -3.78 0.72 0.00 0.01 0.00 0.00 72.50 69.29 2hko s THR 781 CO 0.05 0.53 1.64 -0.81 -0.69 0.00 0.00 174.62 175.34 2hko n PRO 782 N 2.09 3.97 -0.13 4.92 -0.04 -1.26 -4.99 135.00 139.57 2hko n PRO 782 Ca -0.12 -2.94 0.00 0.00 -0.04 0.00 0.00 63.50 60.40 2hko n PRO 782 Cb 0.52 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2hko n PRO 782 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hko n GLY 783 N 0.84 6.59 3.00 0.55 0.00 -1.26 -4.40 105.19 110.50 2hko n GLY 783 Ca 0.26 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 2hko n GLY 783 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hko n PRO 784 N -0.01 0.93 -2.66 1.61 -0.02 -1.26 -5.06 135.00 128.52 2hko n PRO 784 Ca 0.00 -2.91 -0.03 0.00 -2.02 0.00 0.00 63.50 58.54 2hko n PRO 784 Cb 0.00 0.59 0.11 0.00 -0.02 0.00 0.00 33.50 34.18 2hko n PRO 784 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hko n SER 785 N -1.51 -1.24 -4.56 2.55 2.88 -1.26 -5.16 113.62 105.33 2hko n SER 785 Ca -0.11 -1.88 -0.36 0.00 -1.33 0.00 0.00 58.87 55.20 2hko n SER 785 Cb 0.51 1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 65.08 2hko n SER 785 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2hko s GLN 791 N 0.05 3.20 0.97 -1.46 0.74 -1.26 -4.89 119.66 117.01 2hko s GLN 791 Ca 0.21 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.62 2hko s GLN 791 Cb 0.29 -5.25 -0.15 0.00 1.10 0.00 0.00 33.01 29.00 2hko s GLN 791 CO -0.19 -2.66 -0.78 -0.35 -0.55 0.00 0.00 175.29 170.75 2hko n PRO 792 N 8.86 0.00 -3.80 1.67 -0.04 -1.26 -5.09 135.00 135.34 2hko n PRO 792 Ca 0.36 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 2hko n PRO 792 Cb 0.49 -0.98 -0.10 0.00 -0.04 0.00 0.00 33.50 32.87 2hko n PRO 792 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2hko s ILE 793 N -1.96 0.04 0.14 0.52 -4.36 -1.26 -5.05 121.20 109.27 2hko s ILE 793 Ca 0.39 -0.31 -0.34 0.00 -0.26 0.00 0.00 60.65 60.13 2hko s ILE 793 Cb -0.18 -0.46 -0.14 0.00 1.25 0.00 0.00 42.46 42.93 2hko s ILE 793 CO 0.81 -0.17 1.58 -2.65 0.24 0.00 0.00 174.94 174.75 2hko n PRO 794 N 2.06 2.09 0.00 0.37 -0.02 -1.26 -4.29 135.00 133.95 2hko n PRO 794 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2hko n PRO 794 Cb 0.57 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2hko n PRO 794 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hko n ARG 795 N 3.54 2.33 -3.79 -0.52 5.12 -0.85 -4.95 116.66 117.53 2hko n ARG 795 Ca 0.17 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.73 2hko n ARG 795 Cb 0.28 -0.89 -0.13 0.00 -1.16 0.00 0.00 32.46 30.56 2hko n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2hko s LEU 796 N -3.65 3.46 0.13 0.55 2.96 -1.14 -0.49 118.68 120.50 2hko s LEU 796 Ca 0.00 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 2hko s LEU 796 Cb 0.00 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2hko s LEU 796 CO 0.00 -0.09 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.42 2hko s PHE 797 N 1.54 2.54 -0.03 5.38 0.40 0.51 -0.53 117.98 127.79 2hko s PHE 797 Ca 0.05 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 2hko s PHE 797 Cb -0.16 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 2hko s PHE 797 CO 0.02 0.42 -0.19 -0.06 0.70 0.00 0.00 175.22 176.10 2hko s PHE 798 N -1.29 1.83 0.07 0.36 0.40 -1.26 0.15 117.98 118.24 2hko s PHE 798 Ca 0.20 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2hko s PHE 798 Cb -0.10 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 2hko s PHE 798 CO 0.11 -0.11 0.08 0.00 0.70 0.00 0.00 175.22 176.00 2hko s ALA 799 N -0.23 0.21 0.00 5.36 0.00 -0.69 -4.74 121.76 121.66 2hko s ALA 799 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2hko s ALA 799 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2hko s ALA 799 CO 0.01 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2hko n GLY 800 N 0.02 4.01 0.29 0.00 0.00 -1.26 -4.10 105.19 104.14 2hko n GLY 800 Ca -0.14 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.34 2hko n GLY 800 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hko h GLU 801 N 0.00 0.00 -0.49 1.61 4.22 -1.86 0.42 114.58 118.48 2hko h GLU 801 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2hko h GLU 801 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hko h GLU 801 CO 0.00 0.00 0.00 -2.39 -2.18 0.00 0.00 179.01 174.44 2hko n HIS 802 N -2.47 1.05 0.15 0.92 1.44 -1.26 -2.68 115.22 112.36 2hko n HIS 802 Ca -0.01 -0.62 0.02 0.00 -2.01 0.00 0.00 57.72 55.09 2hko n HIS 802 Cb 0.67 -0.18 -0.01 0.00 0.12 0.00 0.00 29.99 30.59 2hko n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2hko n THR 803 N 0.66 0.00 -3.68 0.61 -2.24 0.15 -4.68 114.28 105.10 2hko n THR 803 Ca 0.21 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 61.16 2hko n THR 803 Cb 0.74 1.02 -0.12 0.00 -2.10 0.00 0.00 70.33 69.87 2hko n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2hko s ILE 804 N -1.06 4.49 0.04 2.28 2.07 -1.24 -4.43 121.20 123.35 2hko s ILE 804 Ca 0.02 -0.44 -0.19 0.00 -1.41 0.00 0.00 60.65 58.63 2hko s ILE 804 Cb 0.03 -3.28 -0.09 0.00 0.13 0.00 0.00 42.46 39.24 2hko s ILE 804 CO 0.11 0.09 1.29 0.03 -1.91 0.00 0.00 174.94 174.55 2hko h ARG 805 N 8.32 -0.54 0.00 3.50 3.08 -1.89 -2.40 114.38 124.46 2hko h ARG 805 Ca -0.32 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2hko h ARG 805 Cb 1.15 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2hko h ARG 805 CO 0.61 -0.36 0.00 0.09 -1.07 0.00 0.00 179.97 179.24 2hko n ASN 806 N -3.93 0.00 -1.72 7.04 3.02 -1.26 -3.89 115.26 114.51 2hko n ASN 806 Ca -0.07 -0.03 0.03 0.00 -0.03 0.00 0.00 54.58 54.48 2hko n ASN 806 Cb 0.25 -0.28 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2hko n ASN 806 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2hko n TYR 807 N -1.28 0.22 -0.63 3.10 4.01 -1.21 -4.81 117.16 116.55 2hko n TYR 807 Ca 0.10 -0.78 -0.31 0.00 -0.16 0.00 0.00 57.90 56.75 2hko n TYR 807 Cb 0.17 -0.16 0.19 0.00 -0.31 0.00 0.00 39.34 39.22 2hko n TYR 807 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2hko n PRO 808 N 0.30 -0.94 -1.59 -0.72 -0.04 -0.91 -3.63 135.00 127.49 2hko n PRO 808 Ca 0.06 -0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2hko n PRO 808 Cb 1.09 -2.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 2hko n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hko n ALA 809 N -4.40 -0.31 -2.53 0.55 0.00 -1.09 -4.95 120.51 107.78 2hko n ALA 809 Ca 0.09 0.33 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 2hko n ALA 809 Cb 0.53 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.87 2hko n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hko s THR 810 N -2.73 0.64 0.02 0.00 -4.23 -1.24 -4.94 115.64 103.17 2hko s THR 810 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2hko s THR 810 Cb 0.00 -2.34 -0.27 0.00 1.34 0.00 0.00 72.50 71.24 2hko s THR 810 CO 0.00 0.00 0.93 0.58 -0.54 0.00 0.00 174.62 175.59 2hko h VAL 811 N 1.75 1.25 0.00 2.29 2.07 -1.93 -2.98 116.25 118.70 2hko h VAL 811 Ca -0.36 -2.90 -0.05 0.00 0.82 0.00 0.00 66.70 64.22 2hko h VAL 811 Cb 1.28 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 2hko h VAL 811 CO 0.58 0.82 -0.22 1.12 0.02 0.00 0.00 177.57 179.89 2hko h HIS 812 N 0.06 0.00 0.01 1.57 -0.00 -1.96 -1.25 115.15 113.57 2hko h HIS 812 Ca -0.20 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 59.90 2hko h HIS 812 Cb 1.98 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 29.41 2hko h HIS 812 CO 0.05 0.22 -1.05 0.78 -0.00 0.00 0.00 177.93 177.93 2hko h GLY 813 N 2.92 0.76 0.87 6.13 0.00 -1.64 0.49 103.07 112.59 2hko h GLY 813 Ca -0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 47.33 45.98 2hko h GLY 813 CO 0.03 1.19 0.00 0.00 0.00 0.00 0.00 176.54 177.77 2hko h ALA 814 N 0.42 0.01 -0.54 3.60 0.00 -1.38 0.12 119.26 121.50 2hko h ALA 814 Ca -0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2hko h ALA 814 Cb 1.70 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2hko h ALA 814 CO 0.20 -0.42 0.16 1.25 0.00 0.00 0.00 179.25 180.44 2hko h LEU 815 N -0.12 0.74 -0.51 0.00 6.46 -1.22 -1.60 115.31 119.06 2hko h LEU 815 Ca 0.00 -0.12 -0.16 0.00 -0.12 0.00 0.00 57.88 57.48 2hko h LEU 815 Cb 0.13 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2hko h LEU 815 CO -0.00 0.71 -0.60 -0.07 -0.62 0.00 0.00 178.44 177.86 2hko h LEU 816 N 0.78 0.54 -0.69 2.25 3.38 -0.67 -2.60 115.31 118.31 2hko h LEU 816 Ca 0.18 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2hko h LEU 816 Cb 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2hko h LEU 816 CO -0.01 1.02 0.26 0.77 0.09 0.00 0.00 178.44 180.57 2hko h SER 817 N 0.36 0.97 -0.26 -0.43 4.64 -0.25 -0.63 113.55 117.94 2hko h SER 817 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2hko h SER 817 Cb 1.15 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2hko h SER 817 CO 0.11 0.89 0.16 1.23 -0.87 0.00 0.00 176.83 178.35 2hko h GLY 818 N 0.99 0.37 1.65 -0.77 0.00 -1.22 -1.46 103.07 102.63 2hko h GLY 818 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2hko h GLY 818 CO -0.02 0.14 0.07 1.41 0.00 0.00 0.00 176.54 178.15 2hko h LEU 819 N 0.33 0.41 -0.21 3.11 3.38 -1.18 -0.73 115.31 120.43 2hko h LEU 819 Ca 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2hko h LEU 819 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2hko h LEU 819 CO -0.02 0.42 0.05 -0.09 0.09 0.00 0.00 178.44 178.90 2hko h ARG 820 N 0.45 0.33 -0.18 1.13 2.43 -0.30 -2.76 114.38 115.46 2hko h ARG 820 Ca 0.11 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 2hko h ARG 820 Cb 0.18 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2hko h ARG 820 CO -0.00 0.44 -0.72 0.93 -1.51 0.00 0.00 179.97 179.11 2hko h GLU 821 N 0.15 0.81 -0.78 0.20 4.39 -1.01 -1.91 114.58 116.44 2hko h GLU 821 Ca 0.07 -0.63 0.17 0.00 0.34 0.00 0.00 59.36 59.30 2hko h GLU 821 Cb 0.26 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2hko h GLU 821 CO -0.00 1.24 0.52 0.00 -1.16 0.00 0.00 179.01 179.62 2hko h ALA 822 N 0.58 2.20 0.13 3.43 0.00 -1.16 0.60 119.26 125.03 2hko h ALA 822 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2hko h ALA 822 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2hko h ALA 822 CO 0.15 -0.42 -0.06 0.78 0.00 0.00 0.00 179.25 179.70 2hko h GLY 823 N 0.36 -0.18 0.51 0.00 0.00 -1.25 -1.79 103.07 100.73 2hko h GLY 823 Ca 0.39 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.88 2hko h GLY 823 CO -0.12 -0.07 0.44 -0.09 0.00 0.00 0.00 176.54 176.71 2hko h ARG 824 N -0.77 0.72 0.31 4.80 2.43 -0.32 0.15 114.38 121.70 2hko h ARG 824 Ca -0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2hko h ARG 824 Cb 0.54 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2hko h ARG 824 CO 0.03 0.47 -0.15 0.82 -1.51 0.00 0.00 179.97 179.63 2hko h ILE 825 N 0.74 0.70 -0.91 1.20 2.04 0.07 -2.39 117.51 118.96 2hko h ILE 825 Ca 0.38 -0.49 0.15 0.00 1.00 0.00 0.00 64.86 65.91 2hko h ILE 825 Cb 0.36 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2hko h ILE 825 CO -0.25 0.10 0.58 0.00 0.00 0.00 0.00 178.15 178.58 2hko h ALA 826 N -0.12 1.85 0.00 1.87 0.00 -0.90 0.13 119.26 122.10 2hko h ALA 826 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2hko h ALA 826 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2hko h ALA 826 CO 0.07 -0.11 -0.24 -0.44 0.00 0.00 0.00 179.25 178.53 2hko h ASP 827 N 0.67 0.00 0.07 0.00 5.19 -0.48 -1.85 116.42 120.02 2hko h ASP 827 Ca 0.46 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.70 2hko h ASP 827 Cb 0.79 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.29 2hko h ASP 827 CO -0.22 0.24 -0.89 1.56 -3.12 0.00 0.00 179.24 176.81 2hko h GLN 828 N 0.00 0.15 0.00 3.56 1.08 -0.27 -3.40 115.11 116.22 2hko h GLN 828 Ca -0.00 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2hko h GLN 828 Cb 0.44 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2hko h GLN 828 CO 0.03 1.12 -0.46 1.19 -0.95 0.00 0.00 178.83 179.76 2hko n PHE 829 N -4.24 0.13 0.11 2.96 3.01 -0.60 -3.59 117.46 115.24 2hko n PHE 829 Ca -0.20 0.04 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 2hko n PHE 829 Cb 0.73 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 2hko n PHE 829 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2hko h LEU 830 N 0.00 -0.30 -0.47 4.37 3.38 -1.54 -3.37 115.31 117.38 2hko h LEU 830 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2hko h LEU 830 Cb 0.56 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2hko h LEU 830 CO 0.00 0.04 0.05 1.23 0.09 0.00 0.00 178.44 179.86 2hko h GLY 831 N -0.86 0.85 -0.62 0.83 0.00 -1.78 -3.52 103.07 97.96 2hko h GLY 831 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2hko h GLY 831 CO 0.06 0.54 0.00 0.00 0.00 0.00 0.00 176.54 177.14