#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xas s SER 172 N 0.00 0.68 0.00 2.55 1.04 -1.26 -4.63 113.70 112.08 2xas s SER 172 Ca 0.00 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2xas s SER 172 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2xas s SER 172 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2xas n GLY 173 N -0.56 -0.02 0.17 7.32 0.00 -1.26 -3.52 105.19 107.33 2xas n GLY 173 Ca -0.01 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 2xas n GLY 173 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2xas h VAL 174 N 0.00 1.38 0.00 1.61 -1.51 -2.00 -3.08 116.25 112.66 2xas h VAL 174 Ca 0.00 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 2xas h VAL 174 Cb 0.00 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2xas h VAL 174 CO 0.00 0.63 0.00 -0.33 -1.23 0.00 0.00 177.57 176.64 2xas h GLU 175 N 0.26 0.00 0.98 5.19 5.08 -1.92 -2.62 114.58 121.55 2xas h GLU 175 Ca -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2xas h GLU 175 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 2xas h GLU 175 CO 0.12 0.00 -0.47 0.78 -1.00 0.00 0.00 179.01 178.44 2xas h GLY 176 N 2.17 -1.38 -0.52 -3.84 0.00 -1.58 -2.54 103.07 95.39 2xas h GLY 176 Ca 0.00 0.51 0.16 0.00 0.00 0.00 0.00 47.33 48.00 2xas h GLY 176 CO 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 176.54 175.87 2xas h ALA 177 N -1.30 0.53 -0.71 3.60 0.00 -1.57 0.75 119.26 120.57 2xas h ALA 177 Ca -0.13 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2xas h ALA 177 Cb 1.01 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2xas h ALA 177 CO 0.22 -0.41 0.47 0.00 0.00 0.00 0.00 179.25 179.53 2xas h ALA 178 N 1.76 1.61 0.10 0.00 0.00 -1.47 0.24 119.26 121.50 2xas h ALA 178 Ca 0.37 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 2xas h ALA 178 Cb 0.58 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.15 2xas h ALA 178 CO -0.78 0.31 -0.63 0.35 0.00 0.00 0.00 179.25 178.50 2xas h PHE 179 N 0.84 0.45 0.00 0.00 3.57 -0.61 0.64 116.94 121.83 2xas h PHE 179 Ca 0.29 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2xas h PHE 179 Cb 0.10 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2xas h PHE 179 CO -0.00 1.23 0.00 0.94 -2.23 0.00 0.00 178.31 178.25 2xas n GLN 180 N -4.23 0.15 -0.71 1.11 -0.06 0.24 -0.68 117.38 113.21 2xas n GLN 180 Ca -0.13 0.49 0.08 0.00 -2.00 0.00 0.00 57.00 55.45 2xas n GLN 180 Cb 0.74 -1.85 0.35 0.00 -4.06 0.00 0.00 30.24 25.41 2xas n GLN 180 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2xas n SER 181 N -2.15 4.98 -2.09 1.69 7.64 0.79 -4.28 113.62 120.20 2xas n SER 181 Ca 0.01 -2.88 -0.18 0.00 1.01 0.00 0.00 58.87 56.83 2xas n SER 181 Cb 0.14 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 62.71 2xas n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2xas n ARG 182 N 0.33 -1.47 -4.66 1.43 1.74 0.15 -5.01 116.66 109.18 2xas n ARG 182 Ca 0.25 0.90 -0.22 0.00 -0.77 0.00 0.00 57.85 58.01 2xas n ARG 182 Cb 1.05 -5.42 -0.15 0.00 -1.02 0.00 0.00 32.46 26.91 2xas n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2xas s LEU 183 N -5.28 2.02 0.02 0.55 1.43 0.22 -5.01 118.68 112.63 2xas s LEU 183 Ca 0.00 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 2xas s LEU 183 Cb 0.00 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 2xas s LEU 183 CO 0.00 0.17 1.97 -0.81 0.23 0.00 0.00 176.35 177.91 2xas n PRO 184 N 2.76 2.77 0.32 1.29 -0.04 -1.26 -3.52 135.00 137.31 2xas n PRO 184 Ca -0.14 1.01 0.21 0.00 -0.04 0.00 0.00 63.50 64.54 2xas n PRO 184 Cb 0.55 -2.97 1.09 0.00 -0.04 0.00 0.00 33.50 32.13 2xas n PRO 184 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2xas h HIS 185 N 10.50 0.00 0.00 0.54 2.07 -1.88 -3.20 115.15 123.18 2xas h HIS 185 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2xas h HIS 185 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2xas h HIS 185 CO 0.95 0.00 -0.22 -0.40 -3.07 0.00 0.00 177.93 175.19 2xas n ASP 186 N -3.04 1.10 -3.83 3.10 5.75 -1.26 -4.87 116.55 113.50 2xas n ASP 186 Ca -0.02 -2.36 -0.12 0.00 -0.01 0.00 0.00 54.79 52.28 2xas n ASP 186 Cb 0.12 -0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 39.85 2xas n ASP 186 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2xas s ARG 187 N -1.24 0.52 -0.08 0.11 3.52 -1.21 -5.09 118.95 115.48 2xas s ARG 187 Ca 0.13 -0.28 -0.17 0.00 -0.13 0.00 0.00 55.73 55.27 2xas s ARG 187 Cb 0.11 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.68 2xas s ARG 187 CO 0.01 -0.13 0.45 -1.64 -0.81 0.00 0.00 175.30 173.19 2xas s MET 188 N -1.25 4.22 0.83 5.12 -1.94 -1.26 -4.64 119.30 120.37 2xas s MET 188 Ca -0.13 0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 54.17 2xas s MET 188 Cb -0.06 -3.37 0.09 0.00 2.01 0.00 0.00 34.83 33.50 2xas s MET 188 CO 0.02 0.33 1.09 0.95 -0.01 0.00 0.00 175.02 177.41 2xas s THR 189 N 0.06 2.98 0.18 2.05 -4.23 -1.26 -4.80 115.64 110.62 2xas s THR 189 Ca 0.25 0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 2xas s THR 189 Cb -0.16 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.81 2xas s THR 189 CO 0.11 -0.41 1.80 -1.28 -0.54 0.00 0.00 174.62 174.30 2xas h SER 190 N -1.24 0.44 -0.89 3.99 0.87 -1.99 -0.93 113.55 113.81 2xas h SER 190 Ca -0.48 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.26 2xas h SER 190 Cb 1.27 -0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 63.01 2xas h SER 190 CO 0.57 0.31 -0.33 -0.61 -0.53 0.00 0.00 176.83 176.24 2xas h GLN 191 N 0.57 -0.03 -0.09 2.24 5.75 -2.01 -2.30 115.11 119.25 2xas h GLN 191 Ca 0.23 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.64 2xas h GLN 191 Cb 0.10 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2xas h GLN 191 CO -0.14 -0.02 -0.31 0.93 -2.65 0.00 0.00 178.83 176.64 2xas h GLU 192 N -0.03 0.37 -0.95 1.69 5.08 -1.73 -2.82 114.58 116.19 2xas h GLU 192 Ca 0.35 -0.28 0.25 0.00 -1.00 0.00 0.00 59.36 58.68 2xas h GLU 192 Cb 0.61 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.73 2xas h GLU 192 CO -0.91 0.91 -0.04 0.00 -1.00 0.00 0.00 179.01 177.96 2xas n ALA 193 N -2.50 0.43 -0.13 3.43 0.00 -0.42 -0.70 120.51 120.62 2xas n ALA 193 Ca -0.08 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.33 2xas n ALA 193 Cb 0.49 -0.72 0.13 0.00 0.00 0.00 0.00 19.45 19.36 2xas n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xas h ALA 194 N 1.89 1.04 0.00 0.00 0.00 -1.15 -2.37 119.26 118.67 2xas h ALA 194 Ca 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2xas h ALA 194 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2xas h ALA 194 CO -0.91 0.60 -0.59 0.00 0.00 0.00 0.00 179.25 178.34 2xas n PHE 196 N -2.00 1.70 0.27 0.00 3.01 0.12 -4.57 117.46 116.00 2xas n PHE 196 Ca 0.04 -2.79 0.13 0.00 1.01 0.00 0.00 57.45 55.83 2xas n PHE 196 Cb 0.42 -0.30 0.75 0.00 -0.01 0.00 0.00 39.48 40.34 2xas n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2xas h PRO 197 N 2.86 0.00 0.18 -1.08 0.13 -1.63 0.03 132.00 132.49 2xas h PRO 197 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2xas h PRO 197 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2xas h PRO 197 CO 0.56 0.09 -0.22 0.38 -0.23 0.00 0.00 178.00 178.58 2xas h ASP 198 N 0.00 -0.61 0.19 1.44 2.03 -1.89 -2.72 116.42 114.86 2xas h ASP 198 Ca -0.00 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 2xas h ASP 198 Cb 0.24 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2xas h ASP 198 CO 0.01 -0.32 -0.09 0.40 -1.03 0.00 0.00 179.24 178.21 2xas h ILE 199 N -0.46 0.89 0.00 4.15 2.04 -1.40 -2.60 117.51 120.13 2xas h ILE 199 Ca 0.01 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 2xas h ILE 199 Cb 0.44 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2xas h ILE 199 CO -0.08 0.09 -0.31 -0.29 0.00 0.00 0.00 178.15 177.56 2xas h ILE 200 N -0.44 0.89 -0.01 -0.67 2.10 -1.52 0.27 117.51 118.14 2xas h ILE 200 Ca -0.03 -1.23 0.00 0.00 1.08 0.00 0.00 64.86 64.68 2xas h ILE 200 Cb 0.34 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2xas h ILE 200 CO 0.04 0.31 -0.07 -1.54 -1.08 0.00 0.00 178.15 175.81 2xas n SER 201 N -3.69 0.76 -2.46 2.19 3.41 -1.02 -4.90 113.62 107.90 2xas n SER 201 Ca -0.01 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2xas n SER 201 Cb 0.42 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2xas n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xas n GLY 202 N 1.20 -1.51 3.76 5.00 0.00 0.95 -5.04 105.19 109.56 2xas n GLY 202 Ca 0.18 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 2xas n GLY 202 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xas s PRO 203 N -2.16 4.73 0.40 1.61 0.04 -1.26 -4.96 135.00 133.41 2xas s PRO 203 Ca 0.00 1.38 0.24 0.00 0.04 0.00 0.00 61.00 62.66 2xas s PRO 203 Cb 0.00 -3.15 1.28 0.00 0.04 0.00 0.00 34.50 32.67 2xas s PRO 203 CO 0.00 0.47 1.66 1.96 0.04 0.00 0.00 177.00 181.13 2xas h GLN 204 N 3.92 0.19 -0.52 4.56 1.08 -1.96 0.52 115.11 122.89 2xas h GLN 204 Ca -0.46 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2xas h GLN 204 Cb 1.20 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2xas h GLN 204 CO 0.67 0.13 0.33 0.37 -0.95 0.00 0.00 178.83 179.37 2xas h GLN 205 N 0.20 0.70 -0.29 1.46 5.75 -1.98 -2.72 115.11 118.23 2xas h GLN 205 Ca 0.75 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 59.12 2xas h GLN 205 Cb 2.13 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 30.52 2xas h GLN 205 CO -0.45 0.50 -0.11 1.15 -2.65 0.00 0.00 178.83 177.27 2xas h THR 206 N 0.70 1.29 -0.80 2.39 2.02 -0.33 -2.69 112.91 115.50 2xas h THR 206 Ca 0.19 -1.17 0.18 0.00 0.77 0.00 0.00 66.41 66.37 2xas h THR 206 Cb -0.03 1.45 -0.11 0.00 -1.74 0.00 0.00 68.15 67.72 2xas h THR 206 CO -0.04 0.37 0.26 1.56 0.37 0.00 0.00 175.52 178.05 2xas h GLN 207 N 0.33 0.33 -0.64 6.66 4.20 -1.37 0.47 115.11 125.09 2xas h GLN 207 Ca 0.07 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2xas h GLN 207 Cb 0.61 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2xas h GLN 207 CO 0.04 0.22 0.21 0.87 -0.67 0.00 0.00 178.83 179.50 2xas h LYS 208 N 0.34 0.97 -0.09 1.46 1.57 -1.18 0.82 116.57 120.46 2xas h LYS 208 Ca 0.46 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2xas h LYS 208 Cb 0.81 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2xas h LYS 208 CO -0.50 0.83 0.04 0.28 -0.57 0.00 0.00 179.45 179.52 2xas h VAL 209 N 0.94 1.13 0.44 0.50 2.07 -0.69 -1.98 116.25 118.66 2xas h VAL 209 Ca 0.21 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2xas h VAL 209 Cb 0.25 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2xas h VAL 209 CO -0.01 0.11 -0.41 0.15 0.02 0.00 0.00 177.57 177.43 2xas h PHE 210 N 0.01 -1.12 -0.78 1.57 3.57 -0.66 -1.86 116.94 117.66 2xas h PHE 210 Ca 0.03 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.70 2xas h PHE 210 Cb 0.14 0.43 -0.15 0.00 2.79 0.00 0.00 35.95 39.17 2xas h PHE 210 CO -0.03 -0.55 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.31 2xas h LEU 211 N -0.83 -0.61 -0.62 0.59 3.38 -0.85 0.18 115.31 116.55 2xas h LEU 211 Ca -0.06 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2xas h LEU 211 Cb 0.71 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 2xas h LEU 211 CO -0.03 -0.24 0.37 0.15 0.09 0.00 0.00 178.44 178.77 2xas h PHE 212 N 0.03 0.69 0.15 1.13 3.57 -0.99 -0.69 116.94 120.83 2xas h PHE 212 Ca 0.40 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 2xas h PHE 212 Cb 0.65 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2xas h PHE 212 CO -0.56 0.38 -0.07 0.82 -2.23 0.00 0.00 178.31 176.64 2xas h ILE 213 N 0.72 0.89 -0.10 1.41 2.04 0.16 0.31 117.51 122.93 2xas h ILE 213 Ca 0.26 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2xas h ILE 213 Cb 0.07 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2xas h ILE 213 CO -0.12 0.04 -0.10 -0.09 0.00 0.00 0.00 178.15 177.87 2xas h ARG 214 N -0.29 -0.05 -0.89 2.37 1.12 -1.23 0.97 114.38 116.38 2xas h ARG 214 Ca -0.02 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.05 2xas h ARG 214 Cb 0.23 0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 30.08 2xas h ARG 214 CO 0.03 -0.03 0.42 -0.91 -3.11 0.00 0.00 179.97 176.37 2xas h ASN 215 N -0.05 0.42 -0.38 -3.80 2.35 -0.81 -0.14 115.58 113.17 2xas h ASN 215 Ca 0.02 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 2xas h ASN 215 Cb 0.10 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2xas h ASN 215 CO -0.13 0.08 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.44 2xas h ARG 216 N 0.49 0.80 -0.13 0.81 9.65 0.06 0.35 114.38 126.40 2xas h ARG 216 Ca 0.53 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 2xas h ARG 216 Cb 0.94 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2xas h ARG 216 CO -0.47 0.99 0.05 1.15 2.80 0.00 0.00 179.97 184.49 2xas h THR 217 N 0.60 1.15 -0.28 0.20 2.02 0.78 -0.68 112.91 116.69 2xas h THR 217 Ca 0.08 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2xas h THR 217 Cb 0.76 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.29 2xas h THR 217 CO 0.06 0.13 -0.44 -0.07 0.37 0.00 0.00 175.52 175.58 2xas h LEU 218 N 0.06 -1.41 -0.62 2.58 3.38 -0.91 -0.23 115.31 118.16 2xas h LEU 218 Ca 0.04 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2xas h LEU 218 Cb 0.16 0.60 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 2xas h LEU 218 CO -0.00 -0.40 -0.40 -0.61 0.09 0.00 0.00 178.44 177.12 2xas h GLN 219 N -0.41 -0.18 -0.18 1.13 4.15 -0.62 0.31 115.11 119.31 2xas h GLN 219 Ca 0.10 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.58 2xas h GLN 219 Cb 0.61 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 2xas h GLN 219 CO -0.50 -0.12 -0.11 -0.07 -1.93 0.00 0.00 178.83 176.10 2xas h LEU 220 N -0.18 -0.37 -0.13 -2.39 3.38 0.27 0.14 115.31 116.03 2xas h LEU 220 Ca 0.21 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.31 2xas h LEU 220 Cb 0.56 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2xas h LEU 220 CO -0.71 -0.15 -0.23 -0.25 0.09 0.00 0.00 178.44 177.19 2xas h TRP 221 N -0.11 -0.60 -0.86 1.13 2.91 -0.18 -2.77 115.95 115.47 2xas h TRP 221 Ca 0.11 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.22 2xas h TRP 221 Cb 0.27 0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 29.14 2xas h TRP 221 CO -0.26 -0.31 0.53 -0.07 -1.03 0.00 0.00 178.44 177.31 2xas h LEU 222 N -0.29 0.84 0.00 0.65 3.38 0.68 -2.00 115.31 118.57 2xas h LEU 222 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2xas h LEU 222 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2xas h LEU 222 CO -0.30 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.24 2xas n ASP 223 N -4.62 0.00 -2.70 -0.43 8.00 0.39 -3.94 116.55 113.25 2xas n ASP 223 Ca 0.12 0.02 -0.02 0.00 0.71 0.00 0.00 54.79 55.62 2xas n ASP 223 Cb 0.18 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.11 2xas n ASP 223 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2xas s ASN 224 N -2.38 -0.36 -0.22 -2.24 2.47 -0.77 -5.03 114.94 106.41 2xas s ASN 224 Ca 0.10 -0.39 0.15 0.00 0.42 0.00 0.00 52.86 53.13 2xas s ASN 224 Cb 0.06 0.48 0.81 0.00 -1.45 0.00 0.00 41.25 41.14 2xas s ASN 224 CO 0.12 -0.02 1.74 -0.81 -3.72 0.00 0.00 177.10 174.41 2xas n PRO 225 N 2.80 4.71 0.00 0.43 -0.04 -1.09 -4.03 135.00 137.78 2xas n PRO 225 Ca 0.11 -3.13 0.13 0.00 -0.04 0.00 0.00 63.50 60.57 2xas n PRO 225 Cb 0.64 -2.20 0.32 0.00 -0.04 0.00 0.00 33.50 32.21 2xas n PRO 225 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2xas n LYS 226 N 0.72 1.82 -4.21 0.54 5.02 -1.26 -4.61 118.16 116.18 2xas n LYS 226 Ca 0.28 -1.29 -0.17 0.00 -2.02 0.00 0.00 58.31 55.11 2xas n LYS 226 Cb 1.15 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 34.54 2xas n LYS 226 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2xas s ILE 227 N -2.07 0.49 0.47 -0.18 -4.36 -1.26 -2.24 121.20 112.05 2xas s ILE 227 Ca 0.32 -0.25 -0.22 0.00 -0.26 0.00 0.00 60.65 60.24 2xas s ILE 227 Cb 0.20 -0.43 -0.10 0.00 1.25 0.00 0.00 42.46 43.39 2xas s ILE 227 CO 0.35 0.15 0.89 1.67 0.24 0.00 0.00 174.94 178.24 2xas n GLN 228 N 3.05 1.08 -3.90 0.37 7.27 -0.65 -4.80 117.38 119.79 2xas n GLN 228 Ca -0.14 0.39 -0.35 0.00 0.07 0.00 0.00 57.00 56.97 2xas n GLN 228 Cb 0.57 -1.95 -0.13 0.00 2.41 0.00 0.00 30.24 31.13 2xas n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2xas s LEU 229 N -0.35 4.32 0.58 1.69 2.96 -1.26 -4.84 118.68 121.78 2xas s LEU 229 Ca 0.66 -1.59 -0.09 0.00 -0.22 0.00 0.00 54.13 52.90 2xas s LEU 229 Cb -0.53 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2xas s LEU 229 CO 0.55 -0.34 0.94 0.42 -1.32 0.00 0.00 176.35 176.60 2xas s THR 230 N 1.17 4.54 0.43 3.68 -4.23 -1.26 -4.92 115.64 115.05 2xas s THR 230 Ca -0.00 0.51 0.09 0.00 -1.18 0.00 0.00 61.69 61.11 2xas s THR 230 Cb -0.20 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.10 2xas s THR 230 CO -0.03 -0.92 2.06 0.15 -0.54 0.00 0.00 174.62 175.33 2xas h PHE 231 N -0.15 0.40 0.06 3.99 3.57 -1.99 -1.25 116.94 121.57 2xas h PHE 231 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2xas h PHE 231 Cb 1.21 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2xas h PHE 231 CO 0.60 0.28 -0.03 0.93 -2.23 0.00 0.00 178.31 177.86 2xas h GLU 232 N 0.43 -0.08 -1.61 1.11 3.07 -1.99 -2.00 114.58 113.51 2xas h GLU 232 Ca 0.11 0.01 0.50 0.00 -0.50 0.00 0.00 59.36 59.48 2xas h GLU 232 Cb 0.00 0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 27.82 2xas h GLU 232 CO -0.02 -0.05 1.10 0.00 -1.40 0.00 0.00 179.01 178.64 2xas h ALA 233 N -1.94 3.27 0.17 3.43 0.00 -1.92 0.12 119.26 122.39 2xas h ALA 233 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2xas h ALA 233 Cb 0.06 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2xas h ALA 233 CO 0.01 -1.87 -0.08 1.15 0.00 0.00 0.00 179.25 178.46 2xas h THR 234 N 0.03 0.00 -0.80 0.00 2.02 -1.13 -3.11 112.91 109.92 2xas h THR 234 Ca 0.87 -0.23 0.17 0.00 0.77 0.00 0.00 66.41 67.99 2xas h THR 234 Cb 3.13 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.43 2xas h THR 234 CO -0.23 0.00 0.30 0.25 0.37 0.00 0.00 175.52 176.21 2xas h LEU 235 N -0.46 0.23 -0.56 2.58 5.85 -0.48 0.17 115.31 122.65 2xas h LEU 235 Ca -0.02 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2xas h LEU 235 Cb 0.17 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 2xas h LEU 235 CO 0.04 0.04 -0.33 1.67 -0.34 0.00 0.00 178.44 179.52 2xas n GLN 236 N -5.05 -0.25 0.00 1.25 -0.06 0.30 -1.56 117.38 112.01 2xas n GLN 236 Ca 0.17 0.96 0.08 0.00 -2.00 0.00 0.00 57.00 56.22 2xas n GLN 236 Cb 0.50 -1.42 0.50 0.00 -4.06 0.00 0.00 30.24 25.76 2xas n GLN 236 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2xas n GLN 237 N -4.47 0.87 -3.23 3.69 3.00 0.60 -4.85 117.38 112.98 2xas n GLN 237 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 2xas n GLN 237 Cb 0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 2xas n GLN 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2xas s LEU 238 N -1.60 3.99 0.35 1.08 1.43 -0.60 -5.11 118.68 118.21 2xas s LEU 238 Ca 0.25 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2xas s LEU 238 Cb 0.12 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2xas s LEU 238 CO 0.19 -0.26 0.13 -1.61 0.23 0.00 0.00 176.35 175.03 2xas s GLU 239 N -3.79 2.31 0.63 1.70 0.41 -1.26 -4.72 118.70 113.98 2xas s GLU 239 Ca 0.44 -1.62 -0.13 0.00 -0.41 0.00 0.00 54.97 53.26 2xas s GLU 239 Cb -0.10 -2.12 -0.03 0.00 -1.78 0.00 0.00 34.13 30.10 2xas s GLU 239 CO 0.32 0.08 1.04 0.00 -0.49 0.00 0.00 175.26 176.21 2xas s ALA 240 N -2.46 2.85 -1.22 5.21 0.00 -1.26 0.13 121.76 125.00 2xas s ALA 240 Ca 0.38 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.56 2xas s ALA 240 Cb -0.01 -3.16 0.45 0.00 0.00 0.00 0.00 23.12 20.40 2xas s ALA 240 CO 0.22 -0.86 1.25 -0.35 0.00 0.00 0.00 175.76 176.02 2xas n PRO 241 N -2.56 0.07 0.14 0.00 -0.04 -1.26 -4.82 135.00 126.53 2xas n PRO 241 Ca 0.07 0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.72 2xas n PRO 241 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2xas n PRO 241 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2xas h TYR 242 N 0.00 -0.42 0.00 0.54 0.05 -1.29 -3.03 116.97 112.82 2xas h TYR 242 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2xas h TYR 242 Cb 0.13 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2xas h TYR 242 CO 0.00 -0.25 0.00 0.27 -1.05 0.00 0.00 178.16 177.13 2xas n ASN 243 N -5.08 0.27 0.00 3.88 6.94 0.34 -3.72 115.26 117.89 2xas n ASN 243 Ca -0.06 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.61 2xas n ASN 243 Cb 0.18 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2xas n ASN 243 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2xas n SER 244 N -0.02 0.00 -4.67 0.53 3.41 -1.14 -4.72 113.62 107.01 2xas n SER 244 Ca 0.00 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 2xas n SER 244 Cb 0.07 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2xas n SER 244 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xas s ASP 245 N -2.04 6.78 -0.03 4.04 -1.08 -1.24 -4.91 116.67 118.18 2xas s ASP 245 Ca 0.00 2.10 0.19 0.00 -0.52 0.00 0.00 52.55 54.32 2xas s ASP 245 Cb 0.00 -2.54 -0.29 0.00 -1.46 0.00 0.00 42.92 38.62 2xas s ASP 245 CO 0.00 -0.83 0.42 0.35 0.52 0.00 0.00 175.17 175.63 2xas n THR 246 N 5.18 0.00 -0.04 1.71 -2.24 -1.26 -3.58 114.28 114.05 2xas n THR 246 Ca 0.15 -0.43 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2xas n THR 246 Cb 0.43 0.08 0.35 0.00 -2.10 0.00 0.00 70.33 69.09 2xas n THR 246 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2xas h VAL 247 N 0.00 1.15 0.92 2.28 -1.51 -1.99 -0.90 116.25 116.20 2xas h VAL 247 Ca 0.00 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 65.01 2xas h VAL 247 Cb 0.86 0.57 0.01 0.00 -2.13 0.00 0.00 31.29 30.60 2xas h VAL 247 CO 0.00 0.17 -0.44 0.25 -1.23 0.00 0.00 177.57 176.32 2xas h LEU 248 N 0.63 -1.04 -0.76 4.19 5.85 -1.98 -0.66 115.31 121.52 2xas h LEU 248 Ca 0.16 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.09 2xas h LEU 248 Cb 0.06 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.22 2xas h LEU 248 CO -0.02 -0.72 -0.01 0.58 -0.34 0.00 0.00 178.44 177.93 2xas h VAL 249 N -1.29 0.32 0.31 1.05 2.07 -1.58 0.21 116.25 117.34 2xas h VAL 249 Ca -0.13 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2xas h VAL 249 Cb 0.95 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2xas h VAL 249 CO 0.21 0.02 -0.15 -0.74 0.02 0.00 0.00 177.57 176.93 2xas h HIS 250 N 0.09 -0.38 -0.77 1.57 -0.00 -1.06 0.28 115.15 114.87 2xas h HIS 250 Ca 0.42 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.96 2xas h HIS 250 Cb 0.73 0.13 -0.13 0.00 -0.00 0.00 0.00 27.41 28.14 2xas h HIS 250 CO -0.44 -0.17 0.05 0.00 -0.00 0.00 0.00 177.93 177.36 2xas h ARG 251 N -0.51 0.12 0.40 5.26 3.08 -0.01 0.28 114.38 122.99 2xas h ARG 251 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2xas h ARG 251 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2xas h ARG 251 CO 0.07 0.08 -0.19 0.28 -1.07 0.00 0.00 179.97 179.14 2xas h VAL 252 N 0.13 0.00 -1.01 2.04 2.07 -0.64 -2.21 116.25 116.63 2xas h VAL 252 Ca 0.43 -0.27 0.29 0.00 0.82 0.00 0.00 66.70 67.97 2xas h VAL 252 Cb 0.78 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2xas h VAL 252 CO -0.66 0.00 0.75 -0.74 0.02 0.00 0.00 177.57 176.94 2xas h HIS 253 N -0.80 0.00 0.24 1.57 -0.00 -0.25 -0.79 115.15 115.12 2xas h HIS 253 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 59.97 2xas h HIS 253 Cb 0.41 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.85 2xas h HIS 253 CO 0.05 0.00 -1.54 0.77 -0.00 0.00 0.00 177.93 177.21 2xas h SER 254 N 0.00 0.80 -0.84 3.26 0.02 -0.93 -2.34 113.55 113.52 2xas h SER 254 Ca 0.48 -0.91 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2xas h SER 254 Cb 1.97 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 2xas h SER 254 CO -0.01 1.72 0.51 0.22 -1.14 0.00 0.00 176.83 178.14 2xas h TYR 255 N 0.14 1.09 -0.06 3.45 3.20 -0.54 -1.58 116.97 122.67 2xas h TYR 255 Ca -0.27 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.53 2xas h TYR 255 Cb 2.16 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 2xas h TYR 255 CO 0.12 0.72 -0.25 -0.07 -1.64 0.00 0.00 178.16 177.05 2xas h LEU 256 N 1.15 0.10 -0.04 2.82 3.38 -1.23 -1.69 115.31 119.80 2xas h LEU 256 Ca 0.30 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 58.02 2xas h LEU 256 Cb -0.06 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2xas h LEU 256 CO -0.06 0.36 -0.86 -0.08 0.09 0.00 0.00 178.44 177.89 2xas h GLU 257 N 0.10 0.65 0.34 1.13 4.81 -1.00 -1.71 114.58 118.89 2xas h GLU 257 Ca 0.02 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 2xas h GLU 257 Cb 0.50 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2xas h GLU 257 CO 0.04 1.25 -0.16 -0.09 -0.73 0.00 0.00 179.01 179.31 2xas h ARG 258 N 0.30 -0.44 -0.38 1.92 9.65 -1.02 -2.78 114.38 121.62 2xas h ARG 258 Ca -0.10 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2xas h ARG 258 Cb 1.52 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 30.20 2xas h ARG 258 CO 0.17 -0.20 0.00 0.72 2.80 0.00 0.00 179.97 183.46 2xas n HIS 259 N -5.23 0.25 -2.86 2.20 8.25 -0.66 -4.20 115.22 112.98 2xas n HIS 259 Ca -0.10 -0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 2xas n HIS 259 Cb 0.24 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.32 2xas n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xas n GLY 260 N 0.53 -0.07 0.09 -1.41 0.00 -1.05 -4.79 105.19 98.49 2xas n GLY 260 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.93 2xas n GLY 260 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xas n LEU 261 N -2.85 0.64 -4.04 0.99 4.77 -0.66 -4.76 117.00 111.09 2xas n LEU 261 Ca -0.05 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2xas n LEU 261 Cb 0.57 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 2xas n LEU 261 CO 0.33 0.08 -0.39 0.27 -1.33 0.00 0.00 177.39 176.35 2xas s ILE 262 N -3.08 0.40 -1.16 -0.08 -4.36 -1.11 -4.86 121.20 106.95 2xas s ILE 262 Ca -0.04 -1.03 -0.18 0.00 -0.26 0.00 0.00 60.65 59.14 2xas s ILE 262 Cb 0.09 -0.50 -0.01 0.00 1.25 0.00 0.00 42.46 43.30 2xas s ILE 262 CO 0.82 -0.42 0.78 0.59 0.24 0.00 0.00 174.94 176.95 2xas n ASN 263 N 1.51 -4.93 -4.49 4.36 3.02 -1.26 -4.51 115.26 108.95 2xas n ASN 263 Ca -0.23 -0.99 -0.24 0.00 -0.03 0.00 0.00 54.58 53.09 2xas n ASN 263 Cb 0.55 -3.49 -0.10 0.00 -0.61 0.00 0.00 39.78 36.13 2xas n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2xas s PHE 264 N -3.50 2.21 0.00 3.10 -0.12 -1.26 -4.92 117.98 113.49 2xas s PHE 264 Ca 0.43 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.72 2xas s PHE 264 Cb -0.15 -1.27 0.00 0.00 -0.63 0.00 0.00 43.02 40.98 2xas s PHE 264 CO 0.85 0.45 0.00 0.41 -0.05 0.00 0.00 175.22 176.89 2xas n GLY 265 N -0.70 0.44 2.98 1.99 0.00 -1.26 -4.64 105.19 104.00 2xas n GLY 265 Ca -0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2xas n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xas s ILE 266 N 0.00 2.44 0.40 -0.61 1.01 -1.26 -5.01 121.20 118.17 2xas s ILE 266 Ca 0.00 -2.87 0.08 0.00 0.00 0.00 0.00 60.65 57.86 2xas s ILE 266 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2xas s ILE 266 CO 0.00 -0.71 0.22 -0.72 0.00 0.00 0.00 174.94 173.74 2xas s TYR 267 N 0.27 2.66 -0.27 3.97 1.13 -1.26 -4.74 117.35 119.10 2xas s TYR 267 Ca 0.14 -0.52 -0.13 0.00 -1.41 0.00 0.00 57.07 55.16 2xas s TYR 267 Cb -0.23 -1.95 -0.04 0.00 -1.10 0.00 0.00 41.96 38.64 2xas s TYR 267 CO -0.04 0.14 0.26 0.15 -2.51 0.00 0.00 175.55 173.55 2xas s LYS 268 N -3.95 4.00 0.07 -3.49 1.02 -0.95 -4.86 119.74 111.58 2xas s LYS 268 Ca 0.42 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.94 2xas s LYS 268 Cb 0.01 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.61 2xas s LYS 268 CO 0.24 -0.17 1.40 0.50 -0.92 0.00 0.00 175.35 176.39 2xas s ARG 269 N 1.75 4.30 0.01 1.68 3.52 -1.26 -1.64 118.95 127.31 2xas s ARG 269 Ca 0.10 2.03 -0.21 0.00 -0.13 0.00 0.00 55.73 57.53 2xas s ARG 269 Cb -0.16 -3.40 -0.20 0.00 -1.56 0.00 0.00 34.95 29.64 2xas s ARG 269 CO 0.10 -0.50 1.17 0.82 -0.81 0.00 0.00 175.30 176.08 2xas h ILE 270 N 4.56 1.42 -3.59 4.11 2.04 -1.97 -3.39 117.51 120.69 2xas h ILE 270 Ca -0.41 -1.79 -0.76 0.00 1.00 0.00 0.00 64.86 62.90 2xas h ILE 270 Cb 1.20 2.36 -0.30 0.00 -0.74 0.00 0.00 36.82 39.34 2xas h ILE 270 CO 0.88 0.52 0.11 -0.54 0.00 0.00 0.00 178.15 179.11 2xas s LYS 271 N -3.57 3.58 0.22 2.37 1.02 -1.26 -5.06 119.74 117.04 2xas s LYS 271 Ca -0.14 -2.92 -0.29 0.00 0.02 0.00 0.00 55.97 52.64 2xas s LYS 271 Cb 0.04 -4.26 -0.16 0.00 -0.52 0.00 0.00 37.83 32.92 2xas s LYS 271 CO 0.79 -1.25 0.80 -2.30 -0.92 0.00 0.00 175.35 172.46 2xas n PRO 272 N 3.10 0.62 -1.27 -1.68 -0.02 -1.26 -4.38 135.00 130.10 2xas n PRO 272 Ca 0.18 0.22 -0.60 0.00 -2.02 0.00 0.00 63.50 61.28 2xas n PRO 272 Cb 0.41 -1.44 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 2xas n PRO 272 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2xas n LEU 273 N 1.70 0.78 -1.45 2.45 4.77 -1.26 -4.90 117.00 119.08 2xas n LEU 273 Ca 0.15 0.71 -0.16 0.00 -0.03 0.00 0.00 56.01 56.68 2xas n LEU 273 Cb 0.26 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 2xas n LEU 273 CO 0.58 -0.77 0.01 -2.65 -1.33 0.00 0.00 177.39 173.23 2xas n PRO 274 N 7.17 0.00 0.36 3.23 -0.02 -1.26 -4.87 135.00 139.61 2xas n PRO 274 Ca 0.53 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2xas n PRO 274 Cb -0.04 -0.34 -0.07 0.00 -0.02 0.00 0.00 33.50 33.03 2xas n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xas h THR 275 N 0.36 0.00 -2.80 3.45 1.03 -2.00 -3.43 112.91 109.52 2xas h THR 275 Ca -0.10 -0.19 -0.60 0.00 -0.01 0.00 0.00 66.41 65.52 2xas h THR 275 Cb 0.47 0.00 -0.12 0.00 -1.07 0.00 0.00 68.15 67.44 2xas h THR 275 CO 0.19 0.00 -0.68 -0.75 -0.01 0.00 0.00 175.52 174.27 2xas s LYS 276 N -4.70 2.26 0.20 0.00 2.20 -1.26 -5.13 119.74 113.31 2xas s LYS 276 Ca -0.14 -1.22 0.06 0.00 -0.36 0.00 0.00 55.97 54.31 2xas s LYS 276 Cb 0.01 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.04 2xas s LYS 276 CO 0.41 0.43 0.17 0.15 -0.36 0.00 0.00 175.35 176.15 2xas s LYS 277 N -3.03 2.93 -0.06 4.03 1.02 -1.26 -5.05 119.74 118.32 2xas s LYS 277 Ca 0.27 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2xas s LYS 277 Cb -0.09 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2xas s LYS 277 CO 0.18 0.45 -0.24 0.99 -0.92 0.00 0.00 175.35 175.80 2xas s THR 278 N -1.93 2.16 0.45 2.17 2.01 -1.00 -4.93 115.64 114.57 2xas s THR 278 Ca 0.32 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2xas s THR 278 Cb -0.09 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2xas s THR 278 CO 0.24 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 2xas n GLY 279 N 2.86 -3.02 2.82 4.40 0.00 -1.26 -4.00 105.19 106.99 2xas n GLY 279 Ca -0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 2xas n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xas s LYS 280 N -3.73 0.00 -0.09 1.61 2.47 -1.26 -2.56 119.74 116.19 2xas s LYS 280 Ca 0.00 0.24 0.03 0.00 -1.56 0.00 0.00 55.97 54.68 2xas s LYS 280 Cb 0.00 -0.22 0.01 0.00 -1.46 0.00 0.00 37.83 36.15 2xas s LYS 280 CO 0.00 -0.16 -0.19 0.08 0.16 0.00 0.00 175.35 175.24 2xas s VAL 281 N 1.08 1.66 -0.13 4.02 1.01 -0.36 0.27 120.40 127.95 2xas s VAL 281 Ca -0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 2xas s VAL 281 Cb -0.12 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2xas s VAL 281 CO -0.04 0.47 0.37 -0.63 0.00 0.00 0.00 175.10 175.27 2xas s ILE 282 N 0.50 5.24 -0.25 2.22 -1.09 -0.41 -2.40 121.20 125.01 2xas s ILE 282 Ca -0.17 0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 58.92 2xas s ILE 282 Cb -0.17 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2xas s ILE 282 CO 0.06 0.39 0.01 -0.63 -1.23 0.00 0.00 174.94 173.54 2xas s ILE 283 N 0.37 3.60 -0.37 2.92 1.01 0.70 -0.57 121.20 128.85 2xas s ILE 283 Ca 0.20 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 2xas s ILE 283 Cb -0.14 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.60 2xas s ILE 283 CO 0.07 0.27 0.91 -0.63 0.00 0.00 0.00 174.94 175.56 2xas s ILE 284 N 1.48 4.60 0.00 2.92 1.01 -0.04 -0.69 121.20 130.48 2xas s ILE 284 Ca 0.04 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2xas s ILE 284 Cb -0.16 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.99 2xas s ILE 284 CO -0.01 -0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.00 2xas n GLY 285 N 4.42 -1.00 2.31 6.18 0.00 0.67 -1.41 105.19 116.36 2xas n GLY 285 Ca 0.07 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 2xas n GLY 285 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xas n SER 286 N -0.28 7.40 -4.15 1.61 3.41 -1.26 -4.26 113.62 116.09 2xas n SER 286 Ca 0.00 -3.78 -0.35 0.00 -0.26 0.00 0.00 58.87 54.48 2xas n SER 286 Cb 0.00 -0.94 0.12 0.00 -0.26 0.00 0.00 64.21 63.13 2xas n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xas n GLY 287 N -0.92 -2.70 0.25 5.00 0.00 -1.26 -1.93 105.19 103.63 2xas n GLY 287 Ca 0.62 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2xas n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xas h VAL 288 N -1.66 1.15 -0.33 1.61 2.07 -1.94 0.83 116.25 117.98 2xas h VAL 288 Ca -0.47 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 66.79 2xas h VAL 288 Cb 1.36 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2xas h VAL 288 CO 0.31 0.15 0.14 0.77 0.02 0.00 0.00 177.57 178.96 2xas h SER 289 N 0.83 0.19 -0.04 0.57 4.64 -1.90 0.11 113.55 117.95 2xas h SER 289 Ca 0.23 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2xas h SER 289 Cb -0.09 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2xas h SER 289 CO -0.05 0.15 -0.10 1.23 -0.87 0.00 0.00 176.83 177.18 2xas h GLY 290 N 0.30 -1.55 -0.08 -0.77 0.00 -1.59 -2.07 103.07 97.31 2xas h GLY 290 Ca 0.14 0.71 0.10 0.00 0.00 0.00 0.00 47.33 48.28 2xas h GLY 290 CO -0.12 -0.55 -0.18 1.41 0.00 0.00 0.00 176.54 177.10 2xas h LEU 291 N -0.10 -0.65 -0.71 3.11 3.38 -0.55 -0.91 115.31 118.89 2xas h LEU 291 Ca 0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2xas h LEU 291 Cb 0.13 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2xas h LEU 291 CO -0.09 -0.22 0.46 0.00 0.09 0.00 0.00 178.44 178.68 2xas h ALA 292 N 1.32 0.90 0.04 1.53 0.00 -0.65 -1.06 119.26 121.32 2xas h ALA 292 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2xas h ALA 292 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2xas h ALA 292 CO -0.54 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 2xas h ALA 293 N 1.25 -0.05 -0.05 0.00 0.00 -0.77 -2.44 119.26 117.19 2xas h ALA 293 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2xas h ALA 293 Cb -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2xas h ALA 293 CO -0.05 -0.51 -0.42 0.00 0.00 0.00 0.00 179.25 178.26 2xas h ALA 294 N 0.88 -0.82 -0.99 0.00 0.00 -0.36 0.06 119.26 118.03 2xas h ALA 294 Ca -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.03 2xas h ALA 294 Cb 0.07 0.89 -0.18 0.00 0.00 0.00 0.00 17.79 18.57 2xas h ALA 294 CO 0.01 -0.96 -0.29 0.54 0.00 0.00 0.00 179.25 178.55 2xas n ARG 295 N -4.79 -0.13 0.21 0.00 1.74 -0.48 -0.88 116.66 112.33 2xas n ARG 295 Ca -0.05 1.53 -0.15 0.00 -0.77 0.00 0.00 57.85 58.41 2xas n ARG 295 Cb 0.30 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.38 2xas n ARG 295 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2xas h GLN 296 N 0.00 -0.54 0.39 5.56 1.08 -0.63 -0.13 115.11 120.85 2xas h GLN 296 Ca 0.43 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2xas h GLN 296 Cb 0.68 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.20 2xas h GLN 296 CO -1.01 -0.36 -0.49 -0.07 -0.95 0.00 0.00 178.83 175.96 2xas h LEU 297 N -0.56 -1.37 -0.68 1.46 3.38 -0.33 -0.52 115.31 116.70 2xas h LEU 297 Ca -0.03 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2xas h LEU 297 Cb 0.47 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 2xas h LEU 297 CO 0.02 -0.61 -0.12 -0.61 0.09 0.00 0.00 178.44 177.21 2xas h GLN 298 N -0.90 0.03 -0.56 1.13 4.15 -0.98 0.80 115.11 118.78 2xas h GLN 298 Ca -0.05 -0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.53 2xas h GLN 298 Cb 0.81 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 2xas h GLN 298 CO -0.11 0.02 0.45 1.03 -1.93 0.00 0.00 178.83 178.29 2xas h SER 299 N 0.03 0.00 -0.29 -0.69 0.87 -0.38 0.43 113.55 113.53 2xas h SER 299 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2xas h SER 299 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2xas h SER 299 CO -0.66 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.13 2xas n PHE 300 N -4.13 0.48 -3.52 2.24 3.01 0.28 -4.91 117.46 110.91 2xas n PHE 300 Ca 0.11 -0.22 -0.21 0.00 1.01 0.00 0.00 57.45 58.14 2xas n PHE 300 Cb 0.68 -0.05 0.08 0.00 -0.01 0.00 0.00 39.48 40.18 2xas n PHE 300 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xas n GLY 301 N 0.84 -0.46 3.97 1.37 0.00 0.15 -4.96 105.19 106.10 2xas n GLY 301 Ca 0.10 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 2xas n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2xas s MET 302 N -5.93 2.54 -0.33 1.61 -1.94 -1.02 -2.38 119.30 111.84 2xas s MET 302 Ca 0.35 -1.52 -0.10 0.00 -1.71 0.00 0.00 55.69 52.71 2xas s MET 302 Cb -0.16 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.13 2xas s MET 302 CO 0.72 -0.47 0.18 0.34 -0.01 0.00 0.00 175.02 175.78 2xas s ASP 303 N -4.38 5.64 -0.12 3.03 -1.08 -1.06 -4.35 116.67 114.34 2xas s ASP 303 Ca 0.53 -0.67 0.02 0.00 -0.52 0.00 0.00 52.55 51.91 2xas s ASP 303 Cb -0.06 -2.02 0.01 0.00 -1.46 0.00 0.00 42.92 39.39 2xas s ASP 303 CO 0.32 -0.26 -0.19 -0.69 0.52 0.00 0.00 175.17 174.87 2xas s VAL 304 N 1.60 1.79 -0.06 1.11 1.01 -1.26 -1.22 120.40 123.37 2xas s VAL 304 Ca 0.04 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2xas s VAL 304 Cb -0.18 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2xas s VAL 304 CO 0.07 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.59 2xas s THR 305 N 0.86 1.57 -0.11 3.92 2.01 -1.01 -4.17 115.64 118.72 2xas s THR 305 Ca -0.08 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2xas s THR 305 Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2xas s THR 305 CO -0.01 0.45 0.12 -0.76 -0.69 0.00 0.00 174.62 173.73 2xas s LEU 306 N 0.25 4.26 -0.18 4.42 1.02 -0.69 -0.21 118.68 127.54 2xas s LEU 306 Ca -0.10 0.42 -0.00 0.00 0.02 0.00 0.00 54.13 54.47 2xas s LEU 306 Cb -0.14 -2.03 0.01 0.00 0.02 0.00 0.00 46.19 44.04 2xas s LEU 306 CO 0.04 0.40 -0.16 -0.76 0.02 0.00 0.00 176.35 175.90 2xas s LEU 307 N -1.01 2.37 -0.09 1.79 1.43 0.14 -0.92 118.68 122.39 2xas s LEU 307 Ca 0.15 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2xas s LEU 307 Cb -0.12 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2xas s LEU 307 CO 0.04 0.02 -0.23 -0.70 0.23 0.00 0.00 176.35 175.71 2xas s GLU 308 N 1.20 2.90 0.13 1.70 2.56 -0.69 -0.24 118.70 126.26 2xas s GLU 308 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 54.97 54.03 2xas s GLU 308 Cb -0.14 -2.21 -0.06 0.00 2.00 0.00 0.00 34.13 33.72 2xas s GLU 308 CO -0.07 0.18 1.45 0.00 -0.56 0.00 0.00 175.26 176.25 2xas h ALA 309 N 6.69 0.51 -2.26 6.30 0.00 -1.80 0.27 119.26 128.98 2xas h ALA 309 Ca -0.21 -0.46 -0.44 0.00 0.00 0.00 0.00 54.91 53.80 2xas h ALA 309 Cb 1.23 -0.10 0.16 0.00 0.00 0.00 0.00 17.79 19.08 2xas h ALA 309 CO 0.47 0.62 0.24 1.03 0.00 0.00 0.00 179.25 181.61 2xas s ARG 310 N -4.33 0.18 -0.47 0.00 0.52 -1.26 -3.20 118.95 110.39 2xas s ARG 310 Ca -0.11 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 2xas s ARG 310 Cb 0.10 -1.74 0.49 0.00 0.52 0.00 0.00 34.95 34.32 2xas s ARG 310 CO 0.87 -2.81 1.69 -0.40 0.02 0.00 0.00 175.30 174.66 2xas n ASP 311 N -4.16 5.41 -3.46 0.23 5.75 -1.26 -0.69 116.55 118.37 2xas n ASP 311 Ca 0.09 -3.76 -0.10 0.00 -0.01 0.00 0.00 54.79 51.01 2xas n ASP 311 Cb 0.59 -0.73 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 2xas n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xas s ARG 312 N -3.59 1.08 0.00 0.11 1.70 -1.26 -4.98 118.95 112.01 2xas s ARG 312 Ca 0.56 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 2xas s ARG 312 Cb 0.46 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 35.34 2xas s ARG 312 CO 0.02 -0.47 0.00 1.33 -1.08 0.00 0.00 175.30 175.10 2xas n VAL 313 N -0.31 0.00 0.00 4.99 0.24 -1.26 -4.61 118.33 117.37 2xas n VAL 313 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2xas n VAL 313 Cb 0.64 -1.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 2xas n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2xas n GLY 314 N 4.45 1.82 7.00 7.63 0.00 -0.81 -4.91 105.19 120.37 2xas n GLY 314 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2xas n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xas n GLY 315 N 0.00 3.20 0.00 -0.02 0.00 -1.26 -1.38 105.19 105.72 2xas n GLY 315 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.37 2xas n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xas n ARG 316 N 9.19 0.50 -3.21 1.61 1.74 -1.26 -3.52 116.66 121.71 2xas n ARG 316 Ca 0.00 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.65 2xas n ARG 316 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2xas n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2xas s VAL 317 N -2.11 5.60 -0.15 1.55 1.01 -0.48 -2.22 120.40 123.59 2xas s VAL 317 Ca 0.25 -2.93 -0.07 0.00 0.00 0.00 0.00 61.98 59.23 2xas s VAL 317 Cb 0.12 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2xas s VAL 317 CO 0.22 -1.30 0.10 0.00 0.00 0.00 0.00 175.10 174.12 2xas s ALA 318 N -0.01 3.62 -0.12 5.51 0.00 -1.23 -4.60 121.76 124.93 2xas s ALA 318 Ca 0.32 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2xas s ALA 318 Cb -0.08 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.13 2xas s ALA 318 CO -0.06 0.38 -0.09 0.99 0.00 0.00 0.00 175.76 176.98 2xas s THR 319 N -0.27 1.10 0.05 0.00 2.01 -1.26 -1.42 115.64 115.85 2xas s THR 319 Ca 0.10 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.45 2xas s THR 319 Cb -0.12 -1.10 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 2xas s THR 319 CO 0.01 0.38 1.35 0.12 -0.69 0.00 0.00 174.62 175.79 2xas s PHE 320 N 1.62 3.12 -0.04 4.92 5.36 0.21 -4.90 117.98 128.27 2xas s PHE 320 Ca 0.04 0.97 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2xas s PHE 320 Cb -0.13 -3.61 0.01 0.00 -0.34 0.00 0.00 43.02 38.95 2xas s PHE 320 CO -0.08 -2.16 -0.09 1.03 -1.46 0.00 0.00 175.22 172.47 2xas s ARG 321 N 1.67 1.08 -0.29 10.12 0.52 -1.26 -1.21 118.95 129.58 2xas s ARG 321 Ca 0.63 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.39 2xas s ARG 321 Cb -0.33 -0.98 0.15 0.00 0.52 0.00 0.00 34.95 34.31 2xas s ARG 321 CO 0.28 0.06 0.97 0.21 0.02 0.00 0.00 175.30 176.85 2xas s LYS 322 N 0.42 0.36 2.57 3.54 2.20 -0.82 -5.03 119.74 122.98 2xas s LYS 322 Ca -0.07 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2xas s LYS 322 Cb -0.11 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 2xas s LYS 322 CO 0.01 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2xas n GLY 323 N 3.98 2.18 0.26 5.54 0.00 -1.26 -0.10 105.19 115.79 2xas n GLY 323 Ca -0.17 0.42 0.08 0.00 0.00 0.00 0.00 46.02 46.36 2xas n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xas n ASN 324 N 6.08 1.38 -4.73 1.61 3.02 -1.26 -4.96 115.26 116.40 2xas n ASN 324 Ca 0.00 -1.19 -0.41 0.00 -0.03 0.00 0.00 54.58 52.95 2xas n ASN 324 Cb 0.00 0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 2xas n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2xas s TYR 325 N -2.11 3.55 -0.17 3.10 2.02 0.86 -4.61 117.35 120.00 2xas s TYR 325 Ca 0.11 1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 58.30 2xas s TYR 325 Cb 0.13 -3.31 0.08 0.00 -0.40 0.00 0.00 41.96 38.45 2xas s TYR 325 CO 0.49 -0.76 0.18 0.08 -1.57 0.00 0.00 175.55 173.96 2xas s VAL 326 N 0.11 -0.26 -0.01 0.71 1.01 -1.26 -1.94 120.40 118.76 2xas s VAL 326 Ca 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2xas s VAL 326 Cb -0.29 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2xas s VAL 326 CO 0.33 -0.13 0.03 0.00 0.00 0.00 0.00 175.10 175.33 2xas s ALA 327 N 2.28 -0.08 0.16 5.51 0.00 -0.35 -4.85 121.76 124.44 2xas s ALA 327 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2xas s ALA 327 Cb -0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 2xas s ALA 327 CO -0.10 -0.02 1.01 -0.51 0.00 0.00 0.00 175.76 176.15 2xas s ASP 328 N 0.00 7.43 0.00 0.00 1.01 -1.26 0.66 116.67 124.51 2xas s ASP 328 Ca -0.00 1.94 0.23 0.00 0.71 0.00 0.00 52.55 55.43 2xas s ASP 328 Cb -0.00 -2.60 0.13 0.00 1.01 0.00 0.00 42.92 41.46 2xas s ASP 328 CO 0.00 -0.09 1.17 0.18 0.21 0.00 0.00 175.17 176.64 2xas n LEU 329 N 2.42 1.81 0.00 1.23 4.77 -0.51 -4.88 117.00 121.84 2xas n LEU 329 Ca 0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2xas n LEU 329 Cb 0.48 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2xas n LEU 329 CO 0.52 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2xas n GLY 330 N 1.41 3.52 3.51 -0.72 0.00 -1.11 -4.75 105.19 107.06 2xas n GLY 330 Ca 0.10 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2xas n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xas n ALA 331 N -3.00 -1.17 0.00 4.61 0.00 -0.94 -4.91 120.51 115.10 2xas n ALA 331 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2xas n ALA 331 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2xas n ALA 331 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2xas n MET 332 N -1.27 0.37 -4.42 0.00 0.00 -1.26 -4.78 117.12 105.77 2xas n MET 332 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.47 2xas n MET 332 Cb 0.50 -0.06 -0.10 0.00 0.00 0.00 0.00 33.22 33.57 2xas n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2xas s VAL 333 N -0.46 4.07 -0.33 1.12 1.01 -1.26 -3.13 120.40 121.42 2xas s VAL 333 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2xas s VAL 333 Cb 0.00 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2xas s VAL 333 CO 0.00 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.05 2xas s VAL 334 N -0.93 4.02 0.00 2.92 1.01 -0.02 -4.95 120.40 122.45 2xas s VAL 334 Ca 0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2xas s VAL 334 Cb -0.11 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.92 2xas s VAL 334 CO 0.05 -0.12 2.52 0.35 0.00 0.00 0.00 175.10 177.89 2xas n THR 335 N 4.87 2.14 0.00 3.92 -2.24 -1.26 -1.04 114.28 120.67 2xas n THR 335 Ca -0.13 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2xas n THR 335 Cb 0.46 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2xas n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xas n GLY 336 N 2.23 2.20 0.01 3.38 0.00 -1.25 -4.38 105.19 107.37 2xas n GLY 336 Ca 0.22 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.84 2xas n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xas n LEU 337 N 0.00 0.15 -4.57 0.99 4.77 -1.03 -4.51 117.00 112.79 2xas n LEU 337 Ca 0.00 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.08 2xas n LEU 337 Cb 0.00 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 2xas n LEU 337 CO 0.00 0.01 1.51 -0.83 -1.33 0.00 0.00 177.39 176.76 2xas s GLY 338 N -3.04 0.41 0.00 -0.72 0.00 0.24 -2.38 107.32 101.83 2xas s GLY 338 Ca 0.13 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 42.78 2xas s GLY 338 CO 0.57 3.39 0.00 0.61 0.00 0.00 0.00 173.10 177.67 2xas n GLY 339 N 6.11 1.13 3.65 0.20 0.00 -1.26 -2.97 105.19 112.05 2xas n GLY 339 Ca 0.43 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2xas n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xas s ASN 340 N -2.33 6.02 0.36 1.61 3.84 -1.00 -4.56 114.94 118.88 2xas s ASN 340 Ca 0.00 0.10 0.08 0.00 0.21 0.00 0.00 52.86 53.25 2xas s ASN 340 Cb 0.00 -2.08 0.79 0.00 -0.55 0.00 0.00 41.25 39.41 2xas s ASN 340 CO 0.00 0.08 1.92 1.55 -2.79 0.00 0.00 177.10 177.86 2xas h PRO 341 N 7.41 0.69 -0.21 0.43 0.13 -1.90 -0.91 132.00 137.64 2xas h PRO 341 Ca -0.38 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2xas h PRO 341 Cb 1.17 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2xas h PRO 341 CO 0.66 0.46 0.24 0.52 -0.23 0.00 0.00 178.00 179.65 2xas h MET 342 N 0.71 0.00 -0.92 0.86 2.86 -1.93 0.80 114.93 117.31 2xas h MET 342 Ca 0.37 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.08 2xas h MET 342 Cb 0.47 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2xas h MET 342 CO -0.14 0.00 0.58 0.00 1.06 0.00 0.00 176.91 178.41 2xas h ALA 343 N 1.73 1.29 0.38 6.32 0.00 -1.45 0.54 119.26 128.07 2xas h ALA 343 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xas h ALA 343 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2xas h ALA 343 CO -0.00 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.66 2xas h VAL 344 N 1.02 0.60 -0.96 0.00 2.07 -0.97 -2.99 116.25 115.02 2xas h VAL 344 Ca 0.41 -0.45 0.24 0.00 0.82 0.00 0.00 66.70 67.72 2xas h VAL 344 Cb 0.22 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2xas h VAL 344 CO -0.19 0.08 0.65 0.58 0.02 0.00 0.00 177.57 178.71 2xas h VAL 345 N -0.78 0.59 0.00 2.57 2.07 -1.20 0.10 116.25 119.60 2xas h VAL 345 Ca -0.05 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 2xas h VAL 345 Cb 0.52 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2xas h VAL 345 CO 0.09 0.05 -0.60 0.77 0.02 0.00 0.00 177.57 177.90 2xas h SER 346 N 0.27 0.00 0.86 0.57 4.64 0.22 -0.22 113.55 119.89 2xas h SER 346 Ca 0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.70 2xas h SER 346 Cb 1.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.54 2xas h SER 346 CO -0.15 0.60 -0.57 0.11 -0.87 0.00 0.00 176.83 175.94 2xas h LYS 347 N 0.00 0.00 0.00 4.77 1.57 -0.90 -3.27 116.57 118.74 2xas h LYS 347 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2xas h LYS 347 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2xas h LYS 347 CO 0.08 0.57 -0.88 1.96 -0.57 0.00 0.00 179.45 180.61 2xas h GLN 348 N 0.00 0.00 -5.74 3.15 4.20 -0.65 -3.45 115.11 112.63 2xas h GLN 348 Ca -0.01 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.15 2xas h GLN 348 Cb 1.15 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.64 2xas h GLN 348 CO 0.07 0.72 -0.84 0.08 -0.67 0.00 0.00 178.83 178.20 2xas s VAL 349 N -2.81 1.43 -0.69 -0.54 1.01 -0.20 -4.96 120.40 113.62 2xas s VAL 349 Ca 0.02 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2xas s VAL 349 Cb 0.09 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2xas s VAL 349 CO 0.79 0.36 1.84 0.21 0.00 0.00 0.00 175.10 178.30 2xas s ASN 350 N -0.54 5.32 -0.10 3.32 2.47 -1.26 -4.63 114.94 119.52 2xas s ASN 350 Ca 0.07 0.02 0.02 0.00 0.42 0.00 0.00 52.86 53.39 2xas s ASN 350 Cb -0.07 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.18 2xas s ASN 350 CO -0.00 -2.41 -0.17 -0.04 -3.72 0.00 0.00 177.10 170.75 2xas s MET 351 N 6.92 3.10 -0.46 0.43 -1.94 -1.26 -5.02 119.30 121.05 2xas s MET 351 Ca 0.65 -0.76 -0.27 0.00 -1.71 0.00 0.00 55.69 53.60 2xas s MET 351 Cb -0.11 -2.46 0.03 0.00 2.01 0.00 0.00 34.83 34.30 2xas s MET 351 CO 0.15 0.27 1.02 -1.21 -0.01 0.00 0.00 175.02 175.24 2xas s GLU 352 N 0.16 3.64 -0.33 2.03 2.02 -1.26 -5.00 118.70 119.95 2xas s GLU 352 Ca -0.10 0.37 -0.15 0.00 0.02 0.00 0.00 54.97 55.11 2xas s GLU 352 Cb -0.16 -3.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 2xas s GLU 352 CO 0.06 -1.27 0.37 -0.51 0.02 0.00 0.00 175.26 173.93 2xas s LEU 353 N 4.04 4.35 0.01 1.80 1.43 -1.26 -0.33 118.68 128.73 2xas s LEU 353 Ca 0.42 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2xas s LEU 353 Cb -0.09 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2xas s LEU 353 CO 0.28 -0.32 0.21 0.00 0.23 0.00 0.00 176.35 176.75 2xas s ALA 354 N 2.06 3.93 0.76 4.21 0.00 -0.83 -4.90 121.76 126.99 2xas s ALA 354 Ca 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 2xas s ALA 354 Cb -0.16 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.10 2xas s ALA 354 CO 0.12 0.73 1.10 0.15 0.00 0.00 0.00 175.76 177.86 2xas s LYS 355 N -1.99 2.07 -0.33 0.00 1.02 -1.26 -0.16 119.74 119.09 2xas s LYS 355 Ca 0.29 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.23 2xas s LYS 355 Cb -0.13 -2.06 0.09 0.00 -0.52 0.00 0.00 37.83 35.22 2xas s LYS 355 CO 0.19 -1.43 0.04 0.42 -0.92 0.00 0.00 175.35 173.66 2xas s ILE 356 N -3.42 2.53 -0.21 2.17 1.01 -1.00 -4.74 121.20 117.54 2xas s ILE 356 Ca 0.61 -2.06 -0.28 0.00 0.00 0.00 0.00 60.65 58.92 2xas s ILE 356 Cb -0.11 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2xas s ILE 356 CO 0.47 -0.46 2.16 -0.54 0.00 0.00 0.00 174.94 176.57 2xas s LYS 357 N 1.02 3.22 0.00 2.79 1.02 -1.26 -4.77 119.74 121.77 2xas s LYS 357 Ca 0.05 2.02 0.06 0.00 0.02 0.00 0.00 55.97 58.12 2xas s LYS 357 Cb -0.20 -4.34 0.33 0.00 -0.52 0.00 0.00 37.83 33.10 2xas s LYS 357 CO -0.06 -2.00 0.95 1.04 -0.92 0.00 0.00 175.35 174.36 2xas n GLN 358 N 8.64 0.13 -2.25 1.68 1.13 -1.26 -4.57 117.38 120.88 2xas n GLN 358 Ca 0.28 0.13 -0.43 0.00 -1.94 0.00 0.00 57.00 55.05 2xas n GLN 358 Cb 0.45 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 2xas n GLN 358 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2xas s LYS 359 N -2.32 3.92 -0.29 -1.09 2.20 -1.26 -4.99 119.74 115.90 2xas s LYS 359 Ca 0.07 1.56 -0.03 0.00 -0.36 0.00 0.00 55.97 57.22 2xas s LYS 359 Cb 0.04 -3.94 0.10 0.00 -1.51 0.00 0.00 37.83 32.51 2xas s LYS 359 CO 0.08 -1.13 0.11 0.00 -0.36 0.00 0.00 175.35 174.05 2xas s PRO 361 N 1.87 4.54 0.24 0.00 0.04 -1.26 -4.78 135.00 135.65 2xas s PRO 361 Ca 0.09 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2xas s PRO 361 Cb -0.17 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2xas s PRO 361 CO -0.30 0.06 0.33 -0.51 0.04 0.00 0.00 177.00 176.62 2xas s LEU 362 N -1.32 4.22 -0.25 -3.56 1.43 -1.26 -1.36 118.68 116.58 2xas s LEU 362 Ca 0.47 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2xas s LEU 362 Cb -0.34 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.24 2xas s LEU 362 CO 0.43 -0.07 0.29 -0.31 0.23 0.00 0.00 176.35 176.92 2xas s TYR 363 N -2.01 -0.51 1.10 0.29 1.51 -1.07 -2.49 117.35 114.17 2xas s TYR 363 Ca 0.34 0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 56.45 2xas s TYR 363 Cb -0.09 -0.30 0.09 0.00 -0.11 0.00 0.00 41.96 41.55 2xas s TYR 363 CO 0.28 -0.76 -0.01 0.39 -1.11 0.00 0.00 175.55 174.34 2xas n GLU 364 N 5.33 -1.41 -0.20 -0.62 1.02 -0.95 -2.03 120.64 121.77 2xas n GLU 364 Ca -0.04 -0.39 -0.01 0.00 -0.02 0.00 0.00 57.16 56.70 2xas n GLU 364 Cb 0.49 -1.69 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2xas n GLU 364 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2xas h ALA 365 N -1.98 0.41 -1.01 0.62 0.00 -1.84 0.18 119.26 115.64 2xas h ALA 365 Ca -0.52 0.24 0.27 0.00 0.00 0.00 0.00 54.91 54.90 2xas h ALA 365 Cb 1.35 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 19.48 2xas h ALA 365 CO 0.37 -0.43 0.60 -2.95 0.00 0.00 0.00 179.25 176.85 2xas h ASN 366 N 0.00 0.61 0.00 0.00 7.08 -1.90 -3.45 115.58 117.92 2xas h ASN 366 Ca 0.29 0.14 0.00 0.00 -3.08 0.00 0.00 56.30 53.66 2xas h ASN 366 Cb 0.45 0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.75 2xas h ASN 366 CO -0.63 0.04 0.00 0.61 -2.08 0.00 0.00 177.43 175.37 2xas n GLY 367 N -1.33 1.79 3.42 9.14 0.00 0.05 -4.86 105.19 113.41 2xas n GLY 367 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2xas n GLY 367 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xas s GLN 368 N -0.08 3.52 0.87 1.61 -1.52 -1.25 -4.43 119.66 118.37 2xas s GLN 368 Ca 0.00 -0.59 -0.17 0.00 -1.95 0.00 0.00 55.36 52.64 2xas s GLN 368 Cb 0.00 -2.85 -0.14 0.00 -0.22 0.00 0.00 33.01 29.80 2xas s GLN 368 CO 0.00 0.13 -0.56 0.00 -0.25 0.00 0.00 175.29 174.62 2xas n ALA 369 N 3.82 -4.70 -2.89 6.09 0.00 -1.26 -2.25 120.51 119.32 2xas n ALA 369 Ca -0.18 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.40 2xas n ALA 369 Cb 0.52 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2xas n ALA 369 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xas s VAL 370 N -2.01 4.56 0.29 0.00 1.01 -1.04 -4.70 120.40 118.52 2xas s VAL 370 Ca 0.45 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2xas s VAL 370 Cb -0.26 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 2xas s VAL 370 CO 0.78 0.43 1.54 -2.84 0.00 0.00 0.00 175.10 175.00 2xas s PRO 371 N 0.74 4.16 0.60 2.72 0.02 -1.26 -4.64 135.00 137.33 2xas s PRO 371 Ca 0.03 2.51 0.28 0.00 0.02 0.00 0.00 61.00 63.84 2xas s PRO 371 Cb -0.13 -3.04 1.31 0.00 0.02 0.00 0.00 34.50 32.66 2xas s PRO 371 CO 0.02 -0.57 1.71 0.87 -0.33 0.00 0.00 177.00 178.70 2xas h LYS 372 N 4.65 0.00 0.31 5.54 1.57 -1.98 0.18 116.57 126.84 2xas h LYS 372 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2xas h LYS 372 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2xas h LYS 372 CO 0.77 0.00 -0.15 1.49 -0.57 0.00 0.00 179.45 180.99 2xas h GLU 373 N 0.00 -0.40 0.31 3.15 4.22 -2.00 -2.76 114.58 117.10 2xas h GLU 373 Ca 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.74 2xas h GLU 373 Cb 1.71 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2xas h GLU 373 CO -0.00 -0.24 -0.15 0.87 -2.18 0.00 0.00 179.01 177.31 2xas h LYS 374 N -0.46 -0.40 -0.48 1.92 1.57 -1.04 -2.93 116.57 114.75 2xas h LYS 374 Ca -0.04 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 2xas h LYS 374 Cb 0.35 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2xas h LYS 374 CO 0.07 -0.27 0.02 -3.47 -0.57 0.00 0.00 179.45 175.23 2xas n ASP 375 N -4.76 -0.05 0.10 0.86 -0.08 -0.62 0.22 116.55 112.22 2xas n ASP 375 Ca -0.05 0.81 -0.15 0.00 -1.51 0.00 0.00 54.79 53.89 2xas n ASP 375 Cb 0.16 -0.30 -0.13 0.00 2.34 0.00 0.00 41.12 43.19 2xas n ASP 375 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2xas h GLU 376 N 0.00 0.26 0.18 -0.67 5.08 -1.57 -2.89 114.58 114.97 2xas h GLU 376 Ca 0.30 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2xas h GLU 376 Cb 0.62 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2xas h GLU 376 CO -0.45 1.20 -0.35 1.98 -1.00 0.00 0.00 179.01 180.40 2xas h MET 377 N 0.08 -0.59 0.25 2.33 4.05 0.28 -2.19 114.93 119.13 2xas h MET 377 Ca -0.12 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2xas h MET 377 Cb 1.94 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.88 2xas h MET 377 CO 0.20 -0.39 -0.12 0.28 0.23 0.00 0.00 176.91 177.11 2xas h VAL 378 N -0.61 0.80 -0.16 -5.77 2.07 -1.26 -0.38 116.25 110.93 2xas h VAL 378 Ca 0.02 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.26 2xas h VAL 378 Cb 0.62 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2xas h VAL 378 CO -0.17 0.07 -0.44 -0.08 0.02 0.00 0.00 177.57 176.98 2xas h GLU 379 N -0.50 -0.47 -0.46 1.57 4.81 -1.55 0.34 114.58 118.32 2xas h GLU 379 Ca -0.03 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2xas h GLU 379 Cb 0.37 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2xas h GLU 379 CO 0.06 -0.31 0.31 0.37 -0.73 0.00 0.00 179.01 178.71 2xas h GLN 380 N -0.49 0.34 -0.21 1.92 4.15 -1.04 0.11 115.11 119.88 2xas h GLN 380 Ca 0.08 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 2xas h GLN 380 Cb 0.63 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 2xas h GLN 380 CO -0.42 0.22 -0.21 1.49 -1.93 0.00 0.00 178.83 177.98 2xas h GLU 381 N 0.35 0.52 -0.31 1.69 4.57 0.83 -2.12 114.58 120.11 2xas h GLU 381 Ca 0.21 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2xas h GLU 381 Cb 0.37 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 2xas h GLU 381 CO -0.05 0.86 -0.46 0.35 -1.18 0.00 0.00 179.01 178.53 2xas h PHE 382 N 0.21 -1.41 -0.83 0.92 3.57 0.21 0.56 116.94 120.17 2xas h PHE 382 Ca 0.03 0.07 0.16 0.00 3.53 0.00 0.00 57.97 61.76 2xas h PHE 382 Cb 0.76 0.65 -0.06 0.00 2.79 0.00 0.00 35.95 40.10 2xas h PHE 382 CO 0.08 -0.41 0.55 -0.91 -2.23 0.00 0.00 178.31 175.38 2xas h ASN 383 N -0.35 0.45 0.05 0.41 2.35 -1.28 0.01 115.58 117.22 2xas h ASN 383 Ca 0.06 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2xas h ASN 383 Cb 0.50 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2xas h ASN 383 CO -0.48 0.22 -0.02 0.03 -1.65 0.00 0.00 177.43 175.53 2xas h ARG 384 N 0.47 -0.07 -0.61 0.81 3.08 -0.41 -2.42 114.38 115.24 2xas h ARG 384 Ca 0.42 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.59 2xas h ARG 384 Cb 0.92 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.90 2xas h ARG 384 CO -0.16 0.29 0.14 -0.07 -1.07 0.00 0.00 179.97 179.11 2xas h LEU 385 N -0.44 0.02 0.09 3.04 3.38 0.14 -1.41 115.31 120.13 2xas h LEU 385 Ca -0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2xas h LEU 385 Cb 0.39 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2xas h LEU 385 CO 0.01 0.01 -0.20 -0.07 0.09 0.00 0.00 178.44 178.28 2xas h LEU 386 N 0.27 -0.60 -0.99 1.67 3.38 -0.94 -2.18 115.31 115.93 2xas h LEU 386 Ca 0.32 0.06 0.34 0.00 0.09 0.00 0.00 57.88 58.69 2xas h LEU 386 Cb 0.48 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 2xas h LEU 386 CO -0.40 -0.23 0.51 -0.33 0.09 0.00 0.00 178.44 178.08 2xas h GLU 387 N -0.32 0.20 -0.50 1.13 5.08 -1.31 0.21 114.58 119.08 2xas h GLU 387 Ca -0.01 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2xas h GLU 387 Cb 0.31 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 2xas h GLU 387 CO -0.09 0.13 -0.07 0.00 -1.00 0.00 0.00 179.01 177.98 2xas h ALA 388 N 1.89 0.39 -0.47 3.43 0.00 -0.65 0.16 119.26 124.01 2xas h ALA 388 Ca 0.75 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.81 2xas h ALA 388 Cb 1.78 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 2xas h ALA 388 CO -0.67 -0.42 0.21 1.79 0.00 0.00 0.00 179.25 180.15 2xas h THR 389 N 0.04 1.20 -0.86 0.00 1.35 -0.10 0.30 112.91 114.84 2xas h THR 389 Ca 0.24 -0.59 0.12 0.00 -0.55 0.00 0.00 66.41 65.63 2xas h THR 389 Cb 0.38 0.71 -0.08 0.00 -1.73 0.00 0.00 68.15 67.42 2xas h THR 389 CO -0.47 0.22 0.48 -1.28 -0.25 0.00 0.00 175.52 174.22 2xas h SER 390 N 0.62 0.66 0.07 5.36 0.87 -0.72 0.07 113.55 120.49 2xas h SER 390 Ca 0.16 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2xas h SER 390 Cb 0.16 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2xas h SER 390 CO -0.02 0.34 -0.03 0.22 -0.53 0.00 0.00 176.83 176.81 2xas h TYR 391 N 0.76 -0.09 -0.76 2.24 5.03 0.33 -0.72 116.97 123.76 2xas h TYR 391 Ca 0.43 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.91 2xas h TYR 391 Cb 0.48 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.74 2xas h TYR 391 CO -0.06 0.07 0.51 -0.07 -1.32 0.00 0.00 178.16 177.29 2xas h LEU 392 N -0.23 0.31 0.11 2.82 4.07 0.12 0.61 115.31 123.11 2xas h LEU 392 Ca -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2xas h LEU 392 Cb 0.20 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2xas h LEU 392 CO 0.02 0.15 -0.05 -1.28 -1.08 0.00 0.00 178.44 176.20 2xas h SER 393 N 0.33 -0.12 0.41 -0.43 0.87 -0.62 -1.70 113.55 112.28 2xas h SER 393 Ca 0.38 -0.17 -0.31 0.00 -1.23 0.00 0.00 61.79 60.45 2xas h SER 393 Cb 0.98 0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2xas h SER 393 CO -0.11 0.44 -1.45 0.45 -0.53 0.00 0.00 176.83 175.63 2xas h HIS 394 N -1.01 0.71 0.04 2.24 3.86 -1.00 -2.97 115.15 117.02 2xas h HIS 394 Ca -0.01 -0.52 -0.25 0.00 -1.16 0.00 0.00 60.37 58.42 2xas h HIS 394 Cb 0.28 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2xas h HIS 394 CO 0.05 1.46 -1.37 1.96 0.86 0.00 0.00 177.93 180.88 2xas h GLN 395 N 0.11 0.09 -0.01 2.45 1.08 -1.07 -3.38 115.11 114.38 2xas h GLN 395 Ca -0.23 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2xas h GLN 395 Cb 2.08 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.57 2xas h GLN 395 CO 0.22 1.08 -0.31 1.28 -0.95 0.00 0.00 178.83 180.15 2xas n LEU 396 N -4.17 0.92 -3.72 1.46 4.77 -1.09 -4.98 117.00 110.19 2xas n LEU 396 Ca -0.30 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.18 2xas n LEU 396 Cb 0.78 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2xas n LEU 396 CO 0.28 0.18 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.76 2xas n ASP 397 N -0.82 -5.28 -4.20 -1.43 -0.08 -0.93 -4.93 116.55 98.89 2xas n ASP 397 Ca 0.11 -0.94 -0.42 0.00 -1.51 0.00 0.00 54.79 52.03 2xas n ASP 397 Cb 0.35 -2.76 -0.02 0.00 2.34 0.00 0.00 41.12 41.02 2xas n ASP 397 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2xas n PHE 398 N -3.58 4.50 0.00 -0.67 7.35 -0.68 -4.73 117.46 119.64 2xas n PHE 398 Ca -0.15 -3.79 0.00 0.00 -0.76 0.00 0.00 57.45 52.75 2xas n PHE 398 Cb 0.60 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.99 2xas n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2xas n ASN 399 N 2.30 4.57 -4.76 -2.13 3.02 -1.26 -4.72 115.26 112.28 2xas n ASN 399 Ca 0.24 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.56 2xas n ASN 399 Cb 0.38 0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 40.01 2xas n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2xas s VAL 400 N -1.90 2.93 -0.31 2.41 1.01 -1.26 -1.40 120.40 121.88 2xas s VAL 400 Ca 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 2xas s VAL 400 Cb 0.00 -3.00 0.19 0.00 0.00 0.00 0.00 36.38 33.57 2xas s VAL 400 CO 0.00 -0.14 0.78 -0.22 0.00 0.00 0.00 175.10 175.52 2xas s LEU 401 N -3.89 -1.12 -1.22 3.92 2.96 0.33 -4.80 118.68 114.87 2xas s LEU 401 Ca 0.39 -0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 54.11 2xas s LEU 401 Cb -0.02 1.64 -0.00 0.00 0.50 0.00 0.00 46.19 48.31 2xas s LEU 401 CO 0.23 -0.19 0.69 0.59 -1.32 0.00 0.00 176.35 176.35 2xas n ASN 402 N 5.02 -3.83 0.00 3.68 4.13 -1.26 -3.49 115.26 119.51 2xas n ASN 402 Ca 0.07 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.30 2xas n ASN 402 Cb 0.56 -3.16 0.00 0.00 -1.54 0.00 0.00 39.78 35.65 2xas n ASN 402 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2xas n ASN 403 N -2.71 0.00 -4.77 6.41 4.13 -1.26 -4.98 115.26 112.07 2xas n ASN 403 Ca -0.15 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.72 2xas n ASN 403 Cb 0.61 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.80 2xas n ASN 403 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2xas s LYS 404 N 0.00 4.51 0.41 3.52 -0.14 -1.23 -5.04 119.74 121.78 2xas s LYS 404 Ca 0.00 1.54 -0.25 0.00 -1.36 0.00 0.00 55.97 55.90 2xas s LYS 404 Cb 0.00 -2.89 -0.08 0.00 -1.68 0.00 0.00 37.83 33.17 2xas s LYS 404 CO 0.00 0.16 1.23 -1.25 -0.76 0.00 0.00 175.35 174.73 2xas s PRO 405 N -1.90 3.95 0.07 -1.68 0.04 -1.26 -0.51 135.00 133.70 2xas s PRO 405 Ca 0.50 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.23 2xas s PRO 405 Cb -0.24 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 2xas s PRO 405 CO 0.31 -0.45 0.86 0.08 0.04 0.00 0.00 177.00 177.85 2xas s VAL 406 N -1.36 4.65 0.53 -0.36 1.01 -0.49 -4.89 120.40 119.49 2xas s VAL 406 Ca 0.58 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 64.38 2xas s VAL 406 Cb -0.34 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.83 2xas s VAL 406 CO 0.42 0.33 0.79 -0.94 0.00 0.00 0.00 175.10 175.70 2xas s SER 407 N 0.07 5.67 0.24 3.32 1.04 -1.26 -1.99 113.70 120.78 2xas s SER 407 Ca 0.43 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.29 2xas s SER 407 Cb -0.22 -1.57 0.39 0.00 0.10 0.00 0.00 66.02 64.72 2xas s SER 407 CO 0.26 -0.92 1.79 0.25 0.98 0.00 0.00 173.24 175.60 2xas h LEU 408 N 0.09 0.56 0.19 2.42 5.85 -1.37 -2.44 115.31 120.60 2xas h LEU 408 Ca -0.45 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2xas h LEU 408 Cb 1.26 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2xas h LEU 408 CO 0.59 0.31 -0.52 1.23 -0.34 0.00 0.00 178.44 179.71 2xas h GLY 409 N 0.69 -1.19 -0.13 3.75 0.00 -1.14 0.18 103.07 105.23 2xas h GLY 409 Ca 0.38 0.64 0.02 0.00 0.00 0.00 0.00 47.33 48.37 2xas h GLY 409 CO -0.27 -0.29 -0.39 1.46 0.00 0.00 0.00 176.54 177.05 2xas h GLN 410 N -0.79 -0.38 -0.90 4.80 4.20 -1.82 -1.80 115.11 118.43 2xas h GLN 410 Ca -0.02 0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.93 2xas h GLN 410 Cb 0.77 0.09 -0.17 0.00 0.30 0.00 0.00 27.48 28.47 2xas h GLN 410 CO -0.24 -0.25 -0.11 0.00 -0.67 0.00 0.00 178.83 177.56 2xas h ALA 411 N -0.59 0.81 -0.07 3.87 0.00 -1.17 0.20 119.26 122.30 2xas h ALA 411 Ca 0.03 0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2xas h ALA 411 Cb 0.48 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2xas h ALA 411 CO -0.33 -0.45 -0.04 -0.07 0.00 0.00 0.00 179.25 178.36 2xas h LEU 412 N 0.02 -0.14 0.38 0.00 3.38 0.05 -0.97 115.31 118.03 2xas h LEU 412 Ca 0.48 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.48 2xas h LEU 412 Cb 0.85 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2xas h LEU 412 CO -0.88 -0.06 -0.49 -0.33 0.09 0.00 0.00 178.44 176.77 2xas h GLU 413 N -0.05 -0.87 -1.05 1.13 5.08 -0.18 0.92 114.58 119.57 2xas h GLU 413 Ca 0.04 0.06 0.30 0.00 -1.00 0.00 0.00 59.36 58.77 2xas h GLU 413 Cb 0.11 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2xas h GLU 413 CO -0.10 -0.58 0.78 0.28 -1.00 0.00 0.00 179.01 178.39 2xas h VAL 414 N -0.90 0.44 0.04 3.13 2.07 -0.57 0.51 116.25 120.96 2xas h VAL 414 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2xas h VAL 414 Cb 0.82 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2xas h VAL 414 CO -0.12 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.03 2xas h VAL 415 N 0.00 1.15 -0.60 2.57 2.07 -0.41 -2.82 116.25 118.21 2xas h VAL 415 Ca 0.50 -1.71 0.12 0.00 0.82 0.00 0.00 66.70 66.44 2xas h VAL 415 Cb 2.04 2.11 -0.10 0.00 -1.52 0.00 0.00 31.29 33.83 2xas h VAL 415 CO -0.01 0.37 0.03 0.40 0.02 0.00 0.00 177.57 178.38 2xas h ILE 416 N -0.94 0.53 0.13 4.57 2.04 0.97 0.11 117.51 124.92 2xas h ILE 416 Ca -0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2xas h ILE 416 Cb 0.64 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2xas h ILE 416 CO 0.01 0.03 -0.48 1.56 0.00 0.00 0.00 178.15 179.26 2xas h GLN 417 N 0.15 -0.68 -0.96 2.37 4.20 -0.18 0.23 115.11 120.25 2xas h GLN 417 Ca 0.32 0.05 0.27 0.00 0.06 0.00 0.00 58.65 59.35 2xas h GLN 417 Cb 0.51 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 2xas h GLN 417 CO -0.49 -0.45 0.68 -0.07 -0.67 0.00 0.00 178.83 177.83 2xas h LEU 418 N -0.70 0.05 -0.04 1.46 4.07 -0.89 0.26 115.31 119.51 2xas h LEU 418 Ca -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2xas h LEU 418 Cb 0.70 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2xas h LEU 418 CO -0.25 0.01 -0.08 1.56 -1.08 0.00 0.00 178.44 178.60 2xas h GLN 419 N 0.04 0.13 -0.79 1.13 1.08 0.81 -1.32 115.11 116.20 2xas h GLN 419 Ca 0.46 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 57.68 2xas h GLN 419 Cb 1.77 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 29.14 2xas h GLN 419 CO -0.03 0.67 0.42 0.93 -0.95 0.00 0.00 178.83 179.87 2xas h GLU 420 N -0.39 0.67 0.84 1.46 5.08 0.94 -1.50 114.58 121.68 2xas h GLU 420 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2xas h GLU 420 Cb 0.66 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2xas h GLU 420 CO 0.02 0.44 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.75 2xas h LYS 421 N 0.69 -1.20 -0.57 2.33 3.64 -0.46 -1.70 116.57 119.30 2xas h LYS 421 Ca 0.39 0.08 0.14 0.00 -1.27 0.00 0.00 60.65 60.00 2xas h LYS 421 Cb 0.42 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2xas h LYS 421 CO -0.28 -0.80 0.40 1.25 -2.27 0.00 0.00 179.45 177.75 2xas h HIS 422 N -1.24 0.13 -0.87 1.91 2.76 -1.11 0.37 115.15 117.10 2xas h HIS 422 Ca -0.11 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2xas h HIS 422 Cb 0.99 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.85 2xas h HIS 422 CO -0.09 0.05 0.54 0.28 -1.30 0.00 0.00 177.93 177.41 2xas h VAL 423 N 0.11 1.04 0.40 5.26 2.07 -0.35 -2.30 116.25 122.49 2xas h VAL 423 Ca 0.27 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2xas h VAL 423 Cb 0.92 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2xas h VAL 423 CO -0.03 0.18 -0.19 0.11 0.02 0.00 0.00 177.57 177.66 2xas h LYS 424 N 0.98 -0.52 -0.62 1.57 1.57 -0.65 -2.95 116.57 115.95 2xas h LYS 424 Ca 0.38 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.43 2xas h LYS 424 Cb 0.17 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2xas h LYS 424 CO -0.17 -0.32 0.37 -0.25 -0.57 0.00 0.00 179.45 178.50 2xas n ASP 425 N -5.14 0.15 0.07 0.86 10.43 -0.05 0.02 116.55 122.89 2xas n ASP 425 Ca -0.07 0.81 -0.08 0.00 2.57 0.00 0.00 54.79 58.02 2xas n ASP 425 Cb 0.22 -0.39 -0.05 0.00 1.84 0.00 0.00 41.12 42.74 2xas n ASP 425 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2xas h GLU 426 N 0.00 -0.26 -0.65 -1.24 4.39 -1.40 -2.76 114.58 112.66 2xas h GLU 426 Ca 0.45 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.31 2xas h GLU 426 Cb 1.33 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.93 2xas h GLU 426 CO -0.33 0.02 -0.01 1.96 -1.16 0.00 0.00 179.01 179.49 2xas h GLN 427 N -1.01 0.10 0.00 2.33 4.20 -0.23 0.23 115.11 120.73 2xas h GLN 427 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2xas h GLN 427 Cb 0.39 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2xas h GLN 427 CO 0.04 0.07 0.00 -0.89 -0.67 0.00 0.00 178.83 177.38 2xas n ILE 428 N -5.31 0.00 0.16 2.54 5.41 -0.11 -1.77 119.36 120.30 2xas n ILE 428 Ca 0.10 1.36 0.02 0.00 1.00 0.00 0.00 62.75 65.23 2xas n ILE 428 Cb 0.38 -2.10 0.09 0.00 -0.71 0.00 0.00 39.64 37.29 2xas n ILE 428 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2xas n GLU 429 N -2.05 0.06 -0.07 0.38 0.28 -0.74 -0.99 120.64 117.52 2xas n GLU 429 Ca 0.00 0.22 -0.10 0.00 -0.16 0.00 0.00 57.16 57.11 2xas n GLU 429 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 2xas n GLU 429 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2xas h HIS 430 N 0.00 0.00 -0.46 -1.84 2.76 -0.00 -3.18 115.15 112.43 2xas h HIS 430 Ca 0.00 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 2xas h HIS 430 Cb 0.03 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2xas h HIS 430 CO 0.00 0.71 -0.18 -1.49 -1.30 0.00 0.00 177.93 175.67 2xas h TRP 431 N -1.00 1.02 -0.31 5.26 4.06 -0.49 -2.12 115.95 122.37 2xas h TRP 431 Ca -0.04 -0.22 0.09 0.00 2.06 0.00 0.00 58.89 60.77 2xas h TRP 431 Cb 0.72 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 2xas h TRP 431 CO 0.15 1.00 0.53 -0.22 -3.56 0.00 0.00 178.44 176.34 2xas h LYS 432 N 0.79 0.00 0.15 0.49 3.64 -1.23 0.64 116.57 121.06 2xas h LYS 432 Ca 0.11 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.25 2xas h LYS 432 Cb 0.72 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2xas h LYS 432 CO 0.06 0.00 -1.13 0.87 -2.27 0.00 0.00 179.45 176.98 2xas h LYS 433 N 0.00 0.31 -0.03 1.90 1.57 -1.37 -3.21 116.57 115.75 2xas h LYS 433 Ca 0.15 -0.54 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2xas h LYS 433 Cb 1.21 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.67 2xas h LYS 433 CO -0.00 1.26 -0.27 0.82 -0.57 0.00 0.00 179.45 180.68 2xas h ILE 434 N -0.27 0.38 0.03 1.86 2.04 0.58 -2.53 117.51 119.60 2xas h ILE 434 Ca -0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2xas h ILE 434 Cb 1.76 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2xas h ILE 434 CO 0.14 0.00 -0.27 -0.37 0.00 0.00 0.00 178.15 177.64 2xas h VAL 435 N -0.40 0.00 -1.67 1.67 -1.51 -1.12 0.34 116.25 113.55 2xas h VAL 435 Ca 0.07 0.00 0.52 0.00 -1.23 0.00 0.00 66.70 66.06 2xas h VAL 435 Cb 0.50 0.00 -0.11 0.00 -2.13 0.00 0.00 31.29 29.55 2xas h VAL 435 CO -0.26 0.00 1.15 0.50 -1.23 0.00 0.00 177.57 177.74 2xas h LYS 436 N -0.37 0.01 0.00 5.19 3.64 -1.53 0.23 116.57 123.73 2xas h LYS 436 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2xas h LYS 436 Cb 0.38 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2xas h LYS 436 CO -0.17 0.01 -0.11 1.15 -2.27 0.00 0.00 179.45 178.06 2xas h THR 437 N 0.01 0.73 -0.76 1.00 2.02 -0.77 -3.01 112.91 112.13 2xas h THR 437 Ca 0.90 -1.57 0.22 0.00 0.77 0.00 0.00 66.41 66.73 2xas h THR 437 Cb 3.27 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 71.05 2xas h THR 437 CO -0.23 0.25 0.89 -0.61 0.37 0.00 0.00 175.52 176.19 2xas h GLN 438 N -1.00 0.00 0.00 6.66 5.75 0.23 0.31 115.11 127.05 2xas h GLN 438 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2xas h GLN 438 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2xas h GLN 438 CO -0.01 0.00 -1.15 0.39 -2.65 0.00 0.00 178.83 175.40 2xas n GLU 439 N -3.42 0.59 -0.05 1.69 1.02 0.52 -2.01 120.64 118.99 2xas n GLU 439 Ca 0.16 0.07 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 2xas n GLU 439 Cb 1.14 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 2xas n GLU 439 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2xas h GLU 440 N 0.00 0.53 -0.67 3.49 5.08 -0.33 -2.73 114.58 119.96 2xas h GLU 440 Ca 0.00 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2xas h GLU 440 Cb 0.98 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2xas h GLU 440 CO 0.00 0.98 0.40 1.25 -1.00 0.00 0.00 179.01 180.64 2xas h LEU 441 N 0.17 0.64 0.38 1.33 5.85 -1.14 -1.96 115.31 120.58 2xas h LEU 441 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2xas h LEU 441 Cb 0.99 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2xas h LEU 441 CO 0.08 0.43 -0.42 0.50 -0.34 0.00 0.00 178.44 178.69 2xas h LYS 442 N 0.77 -0.78 -0.78 1.25 3.64 -1.40 0.49 116.57 119.76 2xas h LYS 442 Ca 0.28 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.86 2xas h LYS 442 Cb 0.07 0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 2xas h LYS 442 CO -0.13 -0.52 0.32 0.93 -2.27 0.00 0.00 179.45 177.78 2xas h GLU 443 N -0.81 0.45 -0.73 1.90 5.08 -1.30 -0.41 114.58 118.76 2xas h GLU 443 Ca -0.05 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2xas h GLU 443 Cb 0.72 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2xas h GLU 443 CO -0.08 0.30 0.24 1.25 -1.00 0.00 0.00 179.01 179.72 2xas h LEU 444 N 0.46 1.05 -0.77 1.33 5.85 -1.02 -0.99 115.31 121.23 2xas h LEU 444 Ca 0.43 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2xas h LEU 444 Cb 0.66 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2xas h LEU 444 CO -0.41 0.97 0.46 -0.07 -0.34 0.00 0.00 178.44 179.06 2xas h LEU 445 N 1.07 0.92 -0.01 2.25 3.38 0.68 0.26 115.31 123.85 2xas h LEU 445 Ca 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2xas h LEU 445 Cb 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2xas h LEU 445 CO -0.01 0.71 0.01 0.78 0.09 0.00 0.00 178.44 180.02 2xas h ASN 446 N 1.05 0.01 -0.74 -0.43 4.21 -0.86 0.26 115.58 119.08 2xas h ASN 446 Ca 0.28 -0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.84 2xas h ASN 446 Cb -0.04 -0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.11 2xas h ASN 446 CO -0.05 0.03 0.49 0.50 -1.29 0.00 0.00 177.43 177.11 2xas h LYS 447 N -0.01 0.70 -0.18 0.81 3.64 -0.93 -2.00 116.57 118.60 2xas h LYS 447 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2xas h LYS 447 Cb 0.02 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2xas h LYS 447 CO -0.00 0.46 -0.14 0.52 -2.27 0.00 0.00 179.45 178.02 2xas h MET 448 N 0.72 0.41 0.25 1.90 2.86 0.79 -2.67 114.93 119.20 2xas h MET 448 Ca 0.33 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2xas h MET 448 Cb 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2xas h MET 448 CO -0.12 0.76 -0.32 0.28 1.06 0.00 0.00 176.91 178.57 2xas h VAL 449 N 0.08 0.32 0.00 -2.22 2.07 -0.08 -2.02 116.25 114.39 2xas h VAL 449 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2xas h VAL 449 Cb 0.66 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2xas h VAL 449 CO 0.04 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.22 2xas n ASN 450 N -5.43 0.13 -0.10 0.57 4.13 -0.79 -1.00 115.26 112.77 2xas n ASN 450 Ca -0.08 0.56 -0.21 0.00 1.68 0.00 0.00 54.58 56.52 2xas n ASN 450 Cb 0.34 -0.58 -0.12 0.00 -1.54 0.00 0.00 39.78 37.88 2xas n ASN 450 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2xas h LEU 451 N 0.00 0.02 -1.75 3.41 5.85 -1.02 -3.15 115.31 118.67 2xas h LEU 451 Ca 0.00 -0.57 0.16 0.00 0.84 0.00 0.00 57.88 58.32 2xas h LEU 451 Cb 0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2xas h LEU 451 CO 0.00 1.47 0.64 0.50 -0.34 0.00 0.00 178.44 180.72 2xas h LYS 452 N -0.95 0.00 0.37 1.25 3.64 -0.54 0.19 116.57 120.53 2xas h LYS 452 Ca -0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2xas h LYS 452 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2xas h LYS 452 CO -0.18 0.00 -0.18 1.49 -2.27 0.00 0.00 179.45 178.31 2xas h GLU 453 N 0.00 -0.48 -0.10 1.90 4.57 -1.12 -0.08 114.58 119.28 2xas h GLU 453 Ca 0.27 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.52 2xas h GLU 453 Cb 1.55 0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 30.20 2xas h GLU 453 CO -0.00 -0.17 -0.20 0.87 -1.18 0.00 0.00 179.01 178.32 2xas h LYS 454 N -0.98 -0.27 -0.45 1.92 1.57 -1.34 -2.90 116.57 114.12 2xas h LYS 454 Ca -0.05 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2xas h LYS 454 Cb 0.53 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.83 2xas h LYS 454 CO 0.08 -0.18 0.02 0.82 -0.57 0.00 0.00 179.45 179.62 2xas h ILE 455 N -0.28 0.67 -0.02 1.86 2.04 -0.66 0.45 117.51 121.59 2xas h ILE 455 Ca 0.09 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.93 2xas h ILE 455 Cb 0.41 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 2xas h ILE 455 CO -0.26 0.02 -0.52 0.50 0.00 0.00 0.00 178.15 177.89 2xas h LYS 456 N 0.13 -0.63 -0.00 2.37 3.64 -0.92 -1.73 116.57 119.43 2xas h LYS 456 Ca 0.22 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2xas h LYS 456 Cb 0.32 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2xas h LYS 456 CO -0.36 -0.42 -0.05 -1.91 -2.27 0.00 0.00 179.45 174.44 2xas n GLU 457 N -5.46 0.26 0.12 1.90 0.00 -0.81 -2.22 120.64 114.43 2xas n GLU 457 Ca -0.07 -0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.17 2xas n GLU 457 Cb 0.39 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.36 2xas n GLU 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2xas h LEU 458 N 0.08 0.00 0.04 4.31 7.12 0.25 -3.18 115.31 123.93 2xas h LEU 458 Ca 0.00 -0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.81 2xas h LEU 458 Cb 0.40 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2xas h LEU 458 CO 0.00 0.00 -0.77 -0.74 -0.13 0.00 0.00 178.44 176.80 2xas h HIS 459 N 0.00 0.71 -0.56 1.25 2.76 -0.84 -2.84 115.15 115.63 2xas h HIS 459 Ca 0.00 -0.41 0.05 0.00 -2.20 0.00 0.00 60.37 57.81 2xas h HIS 459 Cb 0.99 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.81 2xas h HIS 459 CO 0.00 1.25 -0.40 0.37 -1.30 0.00 0.00 177.93 177.85 2xas h GLN 460 N -0.04 -0.09 -0.97 5.26 5.75 -1.59 0.26 115.11 123.69 2xas h GLN 460 Ca -0.11 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.58 2xas h GLN 460 Cb 1.49 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 29.96 2xas h GLN 460 CO 0.15 -0.06 0.56 1.96 -2.65 0.00 0.00 178.83 178.80 2xas h GLN 461 N -0.09 0.69 -0.20 1.69 4.20 -1.57 0.18 115.11 120.00 2xas h GLN 461 Ca 0.09 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2xas h GLN 461 Cb 0.33 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2xas h GLN 461 CO -0.57 0.45 -0.45 -0.92 -0.67 0.00 0.00 178.83 176.67 2xas h TYR 462 N 0.71 0.60 0.56 2.96 5.03 -0.98 -2.33 116.97 123.51 2xas h TYR 462 Ca 0.56 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.66 2xas h TYR 462 Cb 0.88 -0.12 0.01 0.00 1.55 0.00 0.00 36.73 39.04 2xas h TYR 462 CO -0.03 0.86 -0.27 -0.22 -1.32 0.00 0.00 178.16 177.18 2xas h LYS 463 N 0.40 -0.73 -0.98 1.82 1.63 0.23 -1.46 116.57 117.47 2xas h LYS 463 Ca 0.03 0.05 0.22 0.00 -0.85 0.00 0.00 60.65 60.10 2xas h LYS 463 Cb 0.94 0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.65 2xas h LYS 463 CO 0.08 -0.43 0.62 0.93 -3.45 0.00 0.00 179.45 177.21 2xas h GLU 464 N -0.94 0.51 0.00 1.90 5.08 -1.05 0.12 114.58 120.21 2xas h GLU 464 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2xas h GLU 464 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2xas h GLU 464 CO 0.13 0.34 -0.48 0.00 -1.00 0.00 0.00 179.01 178.00 2xas n ALA 465 N -2.44 3.36 0.07 3.43 0.00 -0.88 -3.31 120.51 120.74 2xas n ALA 465 Ca 0.23 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.44 2xas n ALA 465 Cb 0.71 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 2xas n ALA 465 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xas n SER 466 N -1.59 0.72 -0.03 0.00 2.88 0.32 -4.07 113.62 111.85 2xas n SER 466 Ca 0.05 0.29 -0.09 0.00 -1.33 0.00 0.00 58.87 57.79 2xas n SER 466 Cb 0.35 0.62 0.06 0.00 -0.75 0.00 0.00 64.21 64.49 2xas n SER 466 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2xas h GLU 467 N 0.00 0.64 -5.27 -1.46 4.39 -1.22 -3.41 114.58 108.25 2xas h GLU 467 Ca -0.04 -0.35 -0.47 0.00 0.34 0.00 0.00 59.36 58.84 2xas h GLU 467 Cb 1.12 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 2xas h GLU 467 CO 0.01 0.96 1.68 0.28 -1.16 0.00 0.00 179.01 180.78 2xas n VAL 468 N -4.01 -0.04 -2.26 3.13 0.31 -1.24 -4.84 118.33 109.38 2xas n VAL 468 Ca -0.02 -0.37 -0.40 0.00 -0.01 0.00 0.00 64.34 63.54 2xas n VAL 468 Cb 0.55 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 2xas n VAL 468 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2xas s LYS 469 N 8.65 4.29 0.76 5.55 -0.14 -1.26 -4.94 119.74 132.65 2xas s LYS 469 Ca 1.19 1.99 -0.11 0.00 -1.36 0.00 0.00 55.97 57.68 2xas s LYS 469 Cb -0.76 -2.94 0.05 0.00 -1.68 0.00 0.00 37.83 32.50 2xas s LYS 469 CO 0.38 -0.16 1.08 -1.25 -0.76 0.00 0.00 175.35 174.65 2xas s PRO 470 N -1.92 2.38 -0.04 -1.68 0.04 -1.26 -4.46 135.00 128.06 2xas s PRO 470 Ca 0.51 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 2xas s PRO 470 Cb -0.35 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2xas s PRO 470 CO 0.45 -1.54 0.89 -1.25 0.04 0.00 0.00 177.00 175.59 2xas s PRO 471 N -4.94 4.50 0.26 0.56 0.04 -1.26 -5.19 135.00 128.98 2xas s PRO 471 Ca 0.60 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.97 2xas s PRO 471 Cb -0.16 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2xas s PRO 471 CO 0.56 -0.06 0.07 -0.98 0.04 0.00 0.00 177.00 176.63 2xas s ARG 472 N 1.10 2.50 0.93 4.56 1.70 -1.26 -5.12 118.95 123.36 2xas s ARG 472 Ca 0.47 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 54.28 2xas s ARG 472 Cb -0.20 -2.29 0.16 0.00 -0.57 0.00 0.00 34.95 32.06 2xas s ARG 472 CO 0.23 0.37 1.24 0.16 -1.08 0.00 0.00 175.30 176.22 2xas s ASP 473 N -3.73 3.39 0.32 -2.89 1.47 -1.26 -4.83 116.67 109.14 2xas s ASP 473 Ca 0.32 0.53 0.09 0.00 1.18 0.00 0.00 52.55 54.68 2xas s ASP 473 Cb -0.07 -0.79 0.53 0.00 -0.34 0.00 0.00 42.92 42.25 2xas s ASP 473 CO 0.22 -2.58 1.73 -0.29 0.68 0.00 0.00 175.17 174.92 2xas h ILE 474 N -1.53 1.32 -0.21 2.11 6.09 -2.00 -1.85 117.51 121.44 2xas h ILE 474 Ca -0.46 -1.54 -0.16 0.00 -1.37 0.00 0.00 64.86 61.33 2xas h ILE 474 Cb 1.28 1.77 -0.00 0.00 0.47 0.00 0.00 36.82 40.33 2xas h ILE 474 CO 0.49 0.45 -0.54 0.71 -3.07 0.00 0.00 178.15 176.19 2xas h THR 475 N 0.09 1.31 0.00 2.19 1.35 -1.98 -0.05 112.91 115.82 2xas h THR 475 Ca 0.01 -1.78 -0.09 0.00 -0.55 0.00 0.00 66.41 64.00 2xas h THR 475 Cb 0.81 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2xas h THR 475 CO 0.06 0.56 -0.43 0.00 -0.25 0.00 0.00 175.52 175.46 2xas h ALA 476 N 0.92 1.05 -0.18 6.62 0.00 -1.90 -1.78 119.26 123.98 2xas h ALA 476 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 2xas h ALA 476 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2xas h ALA 476 CO 0.11 0.53 -0.54 1.49 0.00 0.00 0.00 179.25 180.84 2xas h GLU 477 N 0.00 0.69 -0.93 0.00 4.57 -1.15 -3.15 114.58 114.61 2xas h GLU 477 Ca -0.00 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 57.71 2xas h GLU 477 Cb 0.89 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 2xas h GLU 477 CO 0.06 1.12 0.61 0.35 -1.18 0.00 0.00 179.01 179.96 2xas h PHE 478 N 0.38 1.13 0.20 0.92 3.57 -0.86 -1.64 116.94 120.64 2xas h PHE 478 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2xas h PHE 478 Cb 1.16 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2xas h PHE 478 CO 0.09 0.66 -0.18 1.25 -2.23 0.00 0.00 178.31 177.90 2xas h LEU 479 N 1.17 -0.49 0.43 0.59 5.85 -1.33 0.38 115.31 121.92 2xas h LEU 479 Ca 0.37 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 2xas h LEU 479 Cb 0.00 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2xas h LEU 479 CO -0.11 -0.28 -0.42 0.58 -0.34 0.00 0.00 178.44 177.87 2xas h VAL 480 N -0.41 0.00 -0.84 1.05 2.07 -1.46 -0.97 116.25 115.69 2xas h VAL 480 Ca -0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2xas h VAL 480 Cb 0.38 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.03 2xas h VAL 480 CO -0.04 0.00 0.31 0.11 0.02 0.00 0.00 177.57 177.97 2xas h LYS 481 N -0.85 0.34 0.27 1.57 1.79 -1.21 -1.70 116.57 116.77 2xas h LYS 481 Ca -0.05 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 2xas h LYS 481 Cb 0.73 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2xas h LYS 481 CO -0.05 0.22 -0.13 1.03 -1.08 0.00 0.00 179.45 179.45 2xas h SER 482 N 0.35 -0.30 -0.90 0.86 0.87 0.07 -2.73 113.55 111.77 2xas h SER 482 Ca 0.51 -0.22 0.22 0.00 -1.23 0.00 0.00 61.79 61.07 2xas h SER 482 Cb 0.94 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 2xas h SER 482 CO -0.53 0.18 0.61 0.11 -0.53 0.00 0.00 176.83 176.66 2xas h LYS 483 N -0.91 0.30 -0.43 2.24 1.79 -0.96 -0.08 116.57 118.52 2xas h LYS 483 Ca -0.04 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2xas h LYS 483 Cb 0.50 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2xas h LYS 483 CO 0.06 0.20 -0.06 1.25 -1.08 0.00 0.00 179.45 179.82 2xas h HIS 484 N 0.31 0.80 0.42 -1.35 2.76 -1.14 0.12 115.15 117.07 2xas h HIS 484 Ca 0.47 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 2xas h HIS 484 Cb 1.31 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2xas h HIS 484 CO -0.00 0.78 -0.20 -0.09 -1.30 0.00 0.00 177.93 177.12 2xas h ARG 485 N 0.68 -0.54 -0.97 5.26 2.43 -0.75 -2.44 114.38 118.05 2xas h ARG 485 Ca 0.13 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.61 2xas h ARG 485 Cb 0.51 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2xas h ARG 485 CO 0.03 -0.36 1.17 -0.25 -1.51 0.00 0.00 179.97 179.05 2xas n ASP 486 N -4.10 0.00 -0.10 -3.80 9.92 -0.57 -0.11 116.55 117.79 2xas n ASP 486 Ca -0.07 0.72 -0.20 0.00 -0.53 0.00 0.00 54.79 54.71 2xas n ASP 486 Cb 0.22 -0.24 -0.12 0.00 -0.64 0.00 0.00 41.12 40.34 2xas n ASP 486 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2xas h LEU 487 N 0.00 0.00 -1.34 0.64 5.85 -0.74 -3.10 115.31 116.61 2xas h LEU 487 Ca 0.46 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2xas h LEU 487 Cb 2.81 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.82 2xas h LEU 487 CO -0.00 1.39 0.15 0.71 -0.34 0.00 0.00 178.44 180.35 2xas h THR 488 N -1.00 1.17 -0.25 1.05 1.35 -0.17 -1.27 112.91 113.80 2xas h THR 488 Ca -0.28 -0.54 0.06 0.00 -0.55 0.00 0.00 66.41 65.11 2xas h THR 488 Cb 1.24 0.69 -0.07 0.00 -1.73 0.00 0.00 68.15 68.28 2xas h THR 488 CO -0.17 0.21 -0.24 0.00 -0.25 0.00 0.00 175.52 175.06 2xas h ALA 489 N 1.58 -0.13 0.00 6.62 0.00 -0.68 -1.10 119.26 125.56 2xas h ALA 489 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2xas h ALA 489 Cb 0.15 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2xas h ALA 489 CO -0.01 -0.67 0.00 1.28 0.00 0.00 0.00 179.25 179.85 2xas n LEU 490 N -5.38 0.00 -0.07 0.00 4.77 -0.55 -2.35 117.00 113.42 2xas n LEU 490 Ca -0.01 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 2xas n LEU 490 Cb 0.29 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 2xas n LEU 490 CO 0.14 -0.11 -1.06 0.00 -1.33 0.00 0.00 177.39 175.03 2xas h LYS 492 N 0.02 -0.07 -0.72 0.00 1.63 -1.12 0.45 116.57 116.76 2xas h LYS 492 Ca -0.50 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.43 2xas h LYS 492 Cb 2.01 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 33.52 2xas h LYS 492 CO 0.00 -0.05 -0.33 0.93 -3.45 0.00 0.00 179.45 176.55 2xas h GLU 493 N -0.08 -0.10 0.00 1.90 5.08 -1.58 0.98 114.58 120.78 2xas h GLU 493 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2xas h GLU 493 Cb 0.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2xas h GLU 493 CO -0.31 -0.07 0.00 -0.92 -1.00 0.00 0.00 179.01 176.71 2xas h TYR 494 N -0.10 0.00 -0.01 4.33 3.20 -1.40 -2.46 116.97 120.53 2xas h TYR 494 Ca 0.28 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.96 2xas h TYR 494 Cb 0.57 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.85 2xas h TYR 494 CO -0.70 0.00 -0.74 -0.44 -1.64 0.00 0.00 178.16 174.64 2xas h ASP 495 N 0.00 0.67 -0.00 -2.11 3.32 0.14 -2.43 116.42 116.00 2xas h ASP 495 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2xas h ASP 495 Cb 0.67 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2xas h ASP 495 CO 0.00 1.32 0.05 -0.33 -1.72 0.00 0.00 179.24 178.57 2xas h GLU 496 N 0.08 0.00 0.10 3.56 5.08 -1.03 -1.32 114.58 121.05 2xas h GLU 496 Ca -0.09 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.92 2xas h GLU 496 Cb 1.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2xas h GLU 496 CO 0.15 0.00 -1.96 1.28 -1.00 0.00 0.00 179.01 177.48 2xas n LEU 497 N -3.12 2.34 0.26 1.33 4.32 -0.95 -2.78 117.00 118.40 2xas n LEU 497 Ca -0.03 0.24 0.14 0.00 -0.02 0.00 0.00 56.01 56.34 2xas n LEU 497 Cb 0.12 -0.90 0.66 0.00 -1.62 0.00 0.00 43.42 41.69 2xas n LEU 497 CO 0.20 0.78 0.94 0.00 -1.22 0.00 0.00 177.39 178.08 2xas h ALA 498 N 0.23 1.09 -1.70 -1.18 0.00 -1.14 0.14 119.26 116.70 2xas h ALA 498 Ca -0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2xas h ALA 498 Cb 2.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2xas h ALA 498 CO 0.09 0.15 0.00 -1.91 0.00 0.00 0.00 179.25 177.57 2xas n GLU 499 N -3.36 0.00 -0.33 0.00 4.07 -0.52 -2.40 120.64 118.10 2xas n GLU 499 Ca -0.01 0.28 0.28 0.00 -0.06 0.00 0.00 57.16 57.66 2xas n GLU 499 Cb 0.31 -1.22 0.52 0.00 -0.06 0.00 0.00 31.44 31.00 2xas n GLU 499 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2xas h THR 500 N 0.00 0.01 -0.51 6.31 2.02 -1.38 0.18 112.91 119.55 2xas h THR 500 Ca 0.00 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 2xas h THR 500 Cb 0.00 -0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 2xas h THR 500 CO 0.00 0.00 0.19 -0.61 0.37 0.00 0.00 175.52 175.47 2xas h GLN 501 N 0.01 0.36 -0.60 6.66 4.15 -0.71 -2.99 115.11 121.99 2xas h GLN 501 Ca 0.79 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 60.18 2xas h GLN 501 Cb 2.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.60 2xas h GLN 501 CO -0.80 0.24 0.34 0.78 -1.93 0.00 0.00 178.83 177.47 2xas h GLY 502 N 0.37 0.89 0.49 2.39 0.00 -0.28 -1.66 103.07 105.27 2xas h GLY 502 Ca 0.24 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.23 2xas h GLY 502 CO -0.24 0.37 -0.08 0.50 0.00 0.00 0.00 176.54 177.10 2xas h LYS 503 N 0.81 -0.03 -0.33 4.80 1.57 -1.43 -2.82 116.57 119.14 2xas h LYS 503 Ca 0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 2xas h LYS 503 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2xas h LYS 503 CO -0.04 -0.02 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.42 2xas h LEU 504 N -0.03 0.78 -1.85 2.94 3.38 -1.35 0.02 115.31 119.21 2xas h LEU 504 Ca 0.12 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2xas h LEU 504 Cb 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2xas h LEU 504 CO -0.26 1.05 -0.13 -0.33 0.09 0.00 0.00 178.44 178.87 2xas h GLU 505 N 0.63 0.00 0.04 1.13 5.08 -1.15 -2.94 114.58 117.37 2xas h GLU 505 Ca 0.06 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.06 2xas h GLU 505 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2xas h GLU 505 CO 0.08 0.13 -2.19 -0.85 -1.00 0.00 0.00 179.01 175.18 2xas n GLU 506 N -3.67 0.69 -0.19 2.33 0.28 -1.08 -3.57 120.64 115.43 2xas n GLU 506 Ca -0.02 0.19 -0.01 0.00 -0.16 0.00 0.00 57.16 57.16 2xas n GLU 506 Cb 0.25 -1.63 -0.02 0.00 1.43 0.00 0.00 31.44 31.48 2xas n GLU 506 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2xas n LYS 507 N -3.23 0.37 0.00 3.44 4.81 -0.03 -1.15 118.16 122.38 2xas n LYS 507 Ca -0.35 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 2xas n LYS 507 Cb 1.05 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.64 2xas n LYS 507 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2xas n LEU 508 N 2.21 0.00 0.18 3.14 4.77 -1.23 -4.54 117.00 121.52 2xas n LEU 508 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 2xas n LEU 508 Cb 0.18 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.59 2xas n LEU 508 CO 0.07 0.00 0.66 1.56 -1.33 0.00 0.00 177.39 178.36 2xas h GLN 509 N 0.00 0.00 0.16 3.23 4.20 -1.43 -1.81 115.11 119.46 2xas h GLN 509 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2xas h GLN 509 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2xas h GLN 509 CO 0.00 0.43 -0.33 1.49 -0.67 0.00 0.00 178.83 179.75 2xas h GLU 510 N 0.00 -0.56 -0.08 1.46 4.57 -1.42 -1.12 114.58 117.43 2xas h GLU 510 Ca -0.00 0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 2xas h GLU 510 Cb 0.82 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2xas h GLU 510 CO 0.06 -0.37 -0.68 -0.07 -1.18 0.00 0.00 179.01 176.76 2xas h LEU 511 N -0.58 0.42 -1.32 1.64 3.38 -1.78 -2.62 115.31 114.45 2xas h LEU 511 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2xas h LEU 511 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2xas h LEU 511 CO -0.17 0.98 0.00 -0.33 0.09 0.00 0.00 178.44 179.01 2xas h GLU 512 N 0.25 0.00 -0.17 1.13 5.08 -1.32 -3.23 114.58 116.33 2xas h GLU 512 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 2xas h GLU 512 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2xas h GLU 512 CO 0.11 0.00 -0.60 0.00 -1.00 0.00 0.00 179.01 177.52 2xas h ALA 513 N 2.05 0.30 -3.10 3.43 0.00 -0.80 -3.39 119.26 117.75 2xas h ALA 513 Ca 0.00 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 2xas h ALA 513 Cb 0.49 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.84 2xas h ALA 513 CO 0.00 0.55 -0.55 0.54 0.00 0.00 0.00 179.25 179.79 2xas s ASN 514 N -6.88 4.86 0.95 0.00 4.22 -1.21 -5.09 114.94 111.79 2xas s ASN 514 Ca -0.11 -3.80 -0.11 0.00 -2.14 0.00 0.00 52.86 46.70 2xas s ASN 514 Cb 0.08 -1.65 0.16 0.00 1.28 0.00 0.00 41.25 41.12 2xas s ASN 514 CO 0.87 -0.10 1.09 -2.16 -2.04 0.00 0.00 177.10 174.76 2xas s PRO 515 N -1.38 0.79 0.00 3.55 0.04 -1.26 -4.95 135.00 131.80 2xas s PRO 515 Ca 0.24 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2xas s PRO 515 Cb -0.06 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2xas s PRO 515 CO -0.15 -2.64 0.00 -0.35 0.04 0.00 0.00 177.00 173.90 2xas n PRO 516 N -4.19 0.48 -1.94 0.56 -0.04 -1.26 -4.99 135.00 123.61 2xas n PRO 516 Ca 0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 2xas n PRO 516 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 2xas n PRO 516 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2xas s SER 517 N -1.00 6.56 0.04 3.54 0.01 -1.26 -4.95 113.70 116.63 2xas s SER 517 Ca 0.00 2.81 -0.22 0.00 1.31 0.00 0.00 55.95 59.85 2xas s SER 517 Cb 0.00 -2.64 -0.15 0.00 0.21 0.00 0.00 66.02 63.44 2xas s SER 517 CO 0.00 -0.74 1.40 -0.78 0.41 0.00 0.00 173.24 173.53 2xas h ASP 518 N 4.15 0.24 -4.55 2.44 1.82 -1.94 -3.46 116.42 115.12 2xas h ASP 518 Ca -0.48 -0.39 -0.26 0.00 -0.39 0.00 0.00 57.03 55.51 2xas h ASP 518 Cb 1.22 -0.06 -0.17 0.00 0.68 0.00 0.00 39.33 41.00 2xas h ASP 518 CO 0.72 0.57 -0.71 0.68 -1.61 0.00 0.00 179.24 178.89 2xas s VAL 519 N -4.65 0.75 -0.07 2.25 -7.23 -1.26 -4.98 120.40 105.21 2xas s VAL 519 Ca -0.14 -1.72 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 2xas s VAL 519 Cb 0.05 -1.42 -0.18 0.00 0.56 0.00 0.00 36.38 35.39 2xas s VAL 519 CO 0.72 -0.70 0.90 0.22 -0.31 0.00 0.00 175.10 175.92 2xas h TYR 520 N 3.38 -0.11 -2.93 2.82 3.20 -1.91 -3.47 116.97 117.95 2xas h TYR 520 Ca -0.36 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.37 2xas h TYR 520 Cb 1.18 0.04 -0.25 0.00 1.54 0.00 0.00 36.73 39.24 2xas h TYR 520 CO 0.61 0.44 -0.33 -0.51 -1.64 0.00 0.00 178.16 176.73 2xas s LEU 521 N -8.86 0.72 0.97 2.82 1.43 -1.26 -5.07 118.68 109.42 2xas s LEU 521 Ca -0.14 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 2xas s LEU 521 Cb -0.00 1.14 0.17 0.00 0.03 0.00 0.00 46.19 47.53 2xas s LEU 521 CO 0.54 -0.12 1.10 -0.94 0.23 0.00 0.00 176.35 177.16 2xas s SER 522 N 0.20 2.92 0.53 2.29 1.04 -1.26 -4.65 113.70 114.77 2xas s SER 522 Ca -0.00 1.21 0.21 0.00 0.48 0.00 0.00 55.95 57.85 2xas s SER 522 Cb -0.02 -1.87 1.41 0.00 0.10 0.00 0.00 66.02 65.63 2xas s SER 522 CO 0.00 -2.95 2.14 0.28 0.98 0.00 0.00 173.24 173.69 2xas h SER 523 N -1.77 0.00 0.60 7.02 0.02 -2.02 0.14 113.55 117.55 2xas h SER 523 Ca -0.53 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.14 2xas h SER 523 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2xas h SER 523 CO 0.58 0.06 -1.28 -0.09 -1.14 0.00 0.00 176.83 174.95 2xas h ARG 524 N 0.00 0.28 0.38 3.45 2.43 -1.99 -2.79 114.38 116.14 2xas h ARG 524 Ca -0.00 -0.48 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2xas h ARG 524 Cb 0.12 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2xas h ARG 524 CO 0.01 1.22 -0.18 -0.44 -1.51 0.00 0.00 179.97 179.06 2xas h ASP 525 N 0.08 -0.43 0.00 -3.80 3.32 -1.67 -2.29 116.42 111.63 2xas h ASP 525 Ca -0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2xas h ASP 525 Cb 1.98 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.65 2xas h ASP 525 CO 0.20 -0.27 0.19 -0.09 -1.72 0.00 0.00 179.24 177.55 2xas h ARG 526 N -0.59 0.00 0.02 3.56 9.65 -0.88 0.82 114.38 126.96 2xas h ARG 526 Ca -0.05 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.71 2xas h ARG 526 Cb 0.39 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2xas h ARG 526 CO 0.09 0.00 -0.47 1.96 2.80 0.00 0.00 179.97 184.35 2xas h GLN 527 N 0.00 0.29 -0.45 0.20 4.20 -1.42 -3.06 115.11 114.86 2xas h GLN 527 Ca 0.00 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.31 2xas h GLN 527 Cb 0.37 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2xas h GLN 527 CO 0.00 1.05 0.02 0.82 -0.67 0.00 0.00 178.83 180.05 2xas h ILE 528 N -0.32 1.26 -0.64 2.54 2.04 0.12 -1.93 117.51 120.56 2xas h ILE 528 Ca -0.06 -1.00 0.18 0.00 1.00 0.00 0.00 64.86 64.98 2xas h ILE 528 Cb 1.22 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2xas h ILE 528 CO 0.09 0.35 0.46 0.25 0.00 0.00 0.00 178.15 179.30 2xas h LEU 529 N 0.64 0.03 -0.48 1.44 5.85 -1.14 0.20 115.31 121.84 2xas h LEU 529 Ca 0.13 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2xas h LEU 529 Cb 0.46 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2xas h LEU 529 CO 0.02 0.01 0.03 0.44 -0.34 0.00 0.00 178.44 178.61 2xas h ASP 530 N 0.03 0.81 -0.89 1.25 3.32 -1.24 -1.43 116.42 118.27 2xas h ASP 530 Ca 0.31 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2xas h ASP 530 Cb 1.19 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 2xas h ASP 530 CO -0.01 0.90 0.58 -0.25 -1.72 0.00 0.00 179.24 178.73 2xas h TRP 531 N 0.70 1.00 -0.73 4.55 7.01 -0.45 0.32 115.95 128.34 2xas h TRP 531 Ca 0.14 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.11 2xas h TRP 531 Cb 0.46 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 2xas h TRP 531 CO 0.03 0.51 0.23 0.45 -2.79 0.00 0.00 178.44 176.87 2xas h HIS 532 N 0.97 1.18 -0.62 2.65 3.86 -0.95 -0.48 115.15 121.75 2xas h HIS 532 Ca 0.39 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 2xas h HIS 532 Cb 0.26 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 2xas h HIS 532 CO -0.00 0.93 0.21 0.74 0.86 0.00 0.00 177.93 180.66 2xas h PHE 533 N 1.09 0.95 -0.24 2.45 0.04 -0.16 -2.76 116.94 118.31 2xas h PHE 533 Ca 0.24 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.94 2xas h PHE 533 Cb 0.31 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2xas h PHE 533 CO 0.03 0.76 0.14 0.00 -0.60 0.00 0.00 178.31 178.63 2xas h ALA 534 N 1.32 0.29 -0.90 2.45 0.00 0.63 0.02 119.26 123.08 2xas h ALA 534 Ca 0.21 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.33 2xas h ALA 534 Cb 0.24 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 2xas h ALA 534 CO -0.01 -0.25 0.41 -0.97 0.00 0.00 0.00 179.25 178.43 2xas h ASN 535 N 0.29 0.37 -0.23 0.00 -0.00 -1.01 0.36 115.58 115.36 2xas h ASN 535 Ca 0.09 0.15 -0.09 0.00 -0.00 0.00 0.00 56.30 56.45 2xas h ASN 535 Cb -0.01 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.41 2xas h ASN 535 CO -0.04 0.03 -0.15 0.25 -0.00 0.00 0.00 177.43 177.52 2xas h LEU 536 N 0.43 0.65 -1.00 0.34 5.85 -0.98 -0.79 115.31 119.81 2xas h LEU 536 Ca 0.56 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 2xas h LEU 536 Cb 1.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2xas h LEU 536 CO -0.51 0.81 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.64 2xas h GLU 537 N 0.59 0.13 -0.28 1.25 5.08 0.97 -2.25 114.58 120.07 2xas h GLU 537 Ca 0.10 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2xas h GLU 537 Cb 0.59 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2xas h GLU 537 CO 0.04 0.54 -0.22 0.35 -1.00 0.00 0.00 179.01 178.72 2xas h PHE 538 N 0.11 0.75 -0.48 4.33 3.57 -0.04 0.83 116.94 126.01 2xas h PHE 538 Ca 0.01 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 2xas h PHE 538 Cb 0.82 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2xas h PHE 538 CO 0.01 0.92 0.26 0.00 -2.23 0.00 0.00 178.31 177.27 2xas h ALA 539 N 0.71 1.57 -0.24 2.41 0.00 -0.94 -2.88 119.26 119.89 2xas h ALA 539 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2xas h ALA 539 Cb 0.77 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2xas h ALA 539 CO 0.06 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.76 2xas n ASN 540 N -4.42 2.76 -3.98 0.00 3.02 -0.87 -4.97 115.26 106.81 2xas n ASN 540 Ca 0.04 -1.81 -0.27 0.00 -0.03 0.00 0.00 54.58 52.50 2xas n ASN 540 Cb 0.09 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 2xas n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xas n ALA 541 N 0.87 -1.82 -3.62 5.41 0.00 0.15 -4.70 120.51 116.80 2xas n ALA 541 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2xas n ALA 541 Cb 0.43 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 2xas n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2xas s THR 542 N -3.77 0.00 0.17 0.00 -1.32 -0.41 -1.49 115.64 108.82 2xas s THR 542 Ca 0.18 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.33 2xas s THR 542 Cb -0.10 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.75 2xas s THR 542 CO 0.88 0.00 1.52 -2.65 -2.21 0.00 0.00 174.62 172.16 2xas n PRO 543 N 0.59 2.04 0.06 7.08 -0.02 -1.26 -4.38 135.00 139.11 2xas n PRO 543 Ca -0.04 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2xas n PRO 543 Cb 0.59 -2.47 0.32 0.00 -0.02 0.00 0.00 33.50 31.92 2xas n PRO 543 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2xas n LEU 544 N 3.07 0.25 0.00 2.45 4.77 -1.26 -0.69 117.00 125.59 2xas n LEU 544 Ca 0.16 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.82 2xas n LEU 544 Cb 0.28 -0.57 0.46 0.00 -2.33 0.00 0.00 43.42 41.26 2xas n LEU 544 CO 0.63 -0.50 0.81 -1.54 -1.33 0.00 0.00 177.39 175.46 2xas n SER 545 N -1.80 0.00 -0.04 -1.43 3.41 -1.26 -0.61 113.62 111.90 2xas n SER 545 Ca 0.01 0.26 -0.04 0.00 -0.26 0.00 0.00 58.87 58.84 2xas n SER 545 Cb 0.12 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 2xas n SER 545 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2xas n THR 546 N -1.40 0.54 -1.69 6.66 -2.24 0.13 -4.70 114.28 111.58 2xas n THR 546 Ca 0.07 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 2xas n THR 546 Cb 0.20 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 2xas n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2xas n LEU 547 N -2.37 3.45 -4.74 3.22 4.77 -1.21 0.04 117.00 120.16 2xas n LEU 547 Ca -0.13 1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 56.60 2xas n LEU 547 Cb 0.74 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2xas n LEU 547 CO 0.15 -0.41 1.10 -0.55 -1.33 0.00 0.00 177.39 176.35 2xas s SER 548 N 0.04 6.66 0.03 -1.43 0.15 0.14 -2.10 113.70 117.20 2xas s SER 548 Ca 0.62 2.65 -0.25 0.00 0.70 0.00 0.00 55.95 59.67 2xas s SER 548 Cb -0.59 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 60.92 2xas s SER 548 CO 0.55 -0.69 1.43 0.25 1.20 0.00 0.00 173.24 175.98 2xas h LEU 549 N 5.10 -0.18 -1.29 3.45 5.85 -1.64 0.70 115.31 127.30 2xas h LEU 549 Ca -0.46 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 2xas h LEU 549 Cb 1.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2xas h LEU 549 CO 0.78 0.10 0.05 0.50 -0.34 0.00 0.00 178.44 179.53 2xas h LYS 550 N -0.46 0.53 0.00 1.25 3.64 -1.92 -3.33 116.57 116.27 2xas h LYS 550 Ca -0.02 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2xas h LYS 550 Cb 0.36 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2xas h LYS 550 CO 0.04 0.52 0.00 0.72 -2.27 0.00 0.00 179.45 178.45 2xas n HIS 551 N -4.31 0.00 -0.14 1.91 8.25 -1.21 -4.76 115.22 114.95 2xas n HIS 551 Ca 0.02 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.74 2xas n HIS 551 Cb 0.21 0.00 0.55 0.00 1.12 0.00 0.00 29.99 31.87 2xas n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2xas h TRP 552 N 0.00 0.00 0.00 4.41 5.08 -0.97 0.25 115.95 124.72 2xas h TRP 552 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 2xas h TRP 552 Cb 0.00 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.08 2xas h TRP 552 CO 0.00 0.00 -0.47 -0.40 -1.28 0.00 0.00 178.44 176.29 2xas n ASP 553 N -3.41 1.46 -0.09 0.11 5.75 -1.26 -4.81 116.55 114.30 2xas n ASP 553 Ca 0.19 -2.97 0.26 0.00 -0.01 0.00 0.00 54.79 52.26 2xas n ASP 553 Cb 1.27 -0.40 0.72 0.00 -1.03 0.00 0.00 41.12 41.68 2xas n ASP 553 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2xas h GLN 554 N 0.55 0.00 -0.97 0.11 -0.00 -0.80 0.85 115.11 114.85 2xas h GLN 554 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2xas h GLN 554 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2xas h GLN 554 CO 0.02 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 178.45 2xas n ASP 555 N -4.04 1.48 -0.10 0.06 5.75 -1.26 -4.47 116.55 113.97 2xas n ASP 555 Ca 0.15 -1.82 0.08 0.00 -0.01 0.00 0.00 54.79 53.19 2xas n ASP 555 Cb 0.88 -0.45 0.42 0.00 -1.03 0.00 0.00 41.12 40.93 2xas n ASP 555 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2xas n ASP 556 N 0.20 0.29 -0.06 -1.12 9.92 0.29 -3.30 116.55 122.77 2xas n ASP 556 Ca 0.00 -1.58 -0.02 0.00 -0.53 0.00 0.00 54.79 52.66 2xas n ASP 556 Cb 0.30 -0.02 -0.16 0.00 -0.64 0.00 0.00 41.12 40.60 2xas n ASP 556 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2xas n ASP 557 N -0.55 0.10 -1.78 -2.24 9.92 -1.26 -4.60 116.55 116.13 2xas n ASP 557 Ca 0.12 0.04 -0.16 0.00 -0.53 0.00 0.00 54.79 54.26 2xas n ASP 557 Cb 0.10 1.24 0.10 0.00 -0.64 0.00 0.00 41.12 41.91 2xas n ASP 557 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2xas n PHE 558 N -2.60 1.85 -1.95 1.24 3.72 -1.21 -4.93 117.46 113.58 2xas n PHE 558 Ca -0.21 -1.48 -0.41 0.00 -0.05 0.00 0.00 57.45 55.30 2xas n PHE 558 Cb 0.93 -0.75 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2xas n PHE 558 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2xas s GLU 559 N -2.03 4.23 0.74 -1.08 2.12 -1.26 -5.02 118.70 116.40 2xas s GLU 559 Ca 0.35 2.38 -0.11 0.00 0.36 0.00 0.00 54.97 57.95 2xas s GLU 559 Cb 0.29 -3.07 0.04 0.00 0.26 0.00 0.00 34.13 31.65 2xas s GLU 559 CO 0.05 -0.44 1.08 -0.06 -0.54 0.00 0.00 175.26 175.35 2xas s PHE 560 N -0.33 3.00 0.31 5.30 0.08 -1.26 -5.03 117.98 120.05 2xas s PHE 560 Ca 0.58 1.26 0.07 0.00 0.12 0.00 0.00 56.93 58.96 2xas s PHE 560 Cb -0.43 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 2xas s PHE 560 CO 0.48 -1.48 0.25 0.95 -0.10 0.00 0.00 175.22 175.32 2xas s THR 561 N -3.12 3.71 0.00 0.64 -4.23 -1.16 -4.88 115.64 106.60 2xas s THR 561 Ca 0.59 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2xas s THR 561 Cb -0.14 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2xas s THR 561 CO 0.54 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2xas n GLY 562 N -1.30 1.63 3.79 3.99 0.00 -1.26 -0.59 105.19 111.45 2xas n GLY 562 Ca -0.03 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 2xas n GLY 562 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xas s SER 563 N 0.00 6.78 0.64 1.61 0.01 -1.26 -4.56 113.70 116.93 2xas s SER 563 Ca 0.00 1.98 -0.17 0.00 1.31 0.00 0.00 55.95 59.07 2xas s SER 563 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2xas s SER 563 CO 0.00 -0.47 1.18 -1.00 0.41 0.00 0.00 173.24 173.36 2xas s HIS 564 N -1.73 2.37 0.24 2.43 0.09 -1.26 -3.94 115.29 113.49 2xas s HIS 564 Ca 0.58 1.55 0.02 0.00 -0.00 0.00 0.00 55.06 57.21 2xas s HIS 564 Cb -0.20 -3.39 -0.05 0.00 -0.00 0.00 0.00 32.58 28.94 2xas s HIS 564 CO 0.25 -2.15 0.06 -0.51 -0.00 0.00 0.00 174.74 172.40 2xas s LEU 565 N -4.52 1.82 0.18 0.89 1.02 -0.20 -2.38 118.68 115.49 2xas s LEU 565 Ca 0.74 -1.32 0.05 0.00 0.02 0.00 0.00 54.13 53.62 2xas s LEU 565 Cb -0.27 -0.04 -0.05 0.00 0.02 0.00 0.00 46.19 45.85 2xas s LEU 565 CO 0.38 -0.67 -0.09 0.42 0.02 0.00 0.00 176.35 176.41 2xas s THR 566 N -3.68 1.28 -0.40 5.49 -4.23 0.78 -0.84 115.64 114.04 2xas s THR 566 Ca 0.34 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.57 2xas s THR 566 Cb 0.07 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.90 2xas s THR 566 CO 0.11 -0.60 0.53 -0.69 -0.54 0.00 0.00 174.62 173.42 2xas s VAL 567 N -3.26 4.98 0.21 2.29 1.01 -1.18 -1.97 120.40 122.48 2xas s VAL 567 Ca 0.21 0.05 0.18 0.00 0.00 0.00 0.00 61.98 62.42 2xas s VAL 567 Cb 0.03 -4.06 0.12 0.00 0.00 0.00 0.00 36.38 32.47 2xas s VAL 567 CO 0.04 -0.40 1.75 -0.09 0.00 0.00 0.00 175.10 176.40 2xas h ARG 568 N 8.67 0.00 -0.43 2.72 2.43 -1.02 -3.17 114.38 123.59 2xas h ARG 568 Ca -0.27 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.77 2xas h ARG 568 Cb 1.11 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.58 2xas h ARG 568 CO 0.81 0.39 0.07 0.27 -1.51 0.00 0.00 179.97 180.00 2xas n ASN 569 N -3.62 3.60 -0.49 -3.80 6.94 -1.26 -4.65 115.26 111.98 2xas n ASN 569 Ca -0.01 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.21 2xas n ASN 569 Cb 0.50 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 2xas n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xas n GLY 570 N -0.69 -3.26 0.33 4.83 0.00 -1.20 -4.69 105.19 100.51 2xas n GLY 570 Ca 0.31 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.69 2xas n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2xas h TYR 571 N 0.00 0.00 -0.81 1.61 5.03 -1.86 -2.10 116.97 118.85 2xas h TYR 571 Ca 0.00 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.54 2xas h TYR 571 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 2xas h TYR 571 CO 0.00 0.00 0.70 0.66 -1.32 0.00 0.00 178.16 178.20 2xas h SER 572 N 0.00 0.00 -0.21 -2.11 4.64 -1.88 0.21 113.55 114.20 2xas h SER 572 Ca 0.12 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 2xas h SER 572 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2xas h SER 572 CO -0.00 0.00 0.66 0.00 -0.87 0.00 0.00 176.83 176.62 2xas h VAL 574 N 0.00 0.13 -0.38 0.00 2.07 -0.82 -3.12 116.25 114.13 2xas h VAL 574 Ca 0.10 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2xas h VAL 574 Cb 1.41 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2xas h VAL 574 CO -0.00 0.04 0.22 1.55 0.02 0.00 0.00 177.57 179.40 2xas h PRO 575 N -1.00 0.50 -0.81 1.57 0.13 -1.69 0.17 132.00 130.88 2xas h PRO 575 Ca -0.03 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2xas h PRO 575 Cb 0.45 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 2xas h PRO 575 CO -0.02 0.36 0.51 0.28 -0.23 0.00 0.00 178.00 178.91 2xas h VAL 576 N 0.52 1.22 -0.32 1.56 2.07 -1.55 0.43 116.25 120.17 2xas h VAL 576 Ca 0.14 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 2xas h VAL 576 Cb -0.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2xas h VAL 576 CO -0.02 0.22 -0.21 0.00 0.02 0.00 0.00 177.57 177.57 2xas h ALA 577 N 1.28 1.05 -0.42 1.67 0.00 -1.02 -2.83 119.26 118.98 2xas h ALA 577 Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2xas h ALA 577 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2xas h ALA 577 CO -0.06 0.58 -0.27 -0.07 0.00 0.00 0.00 179.25 179.43 2xas h LEU 578 N 0.53 0.96 -1.43 0.00 3.38 -0.51 -2.99 115.31 115.25 2xas h LEU 578 Ca 0.08 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.71 2xas h LEU 578 Cb 0.65 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2xas h LEU 578 CO 0.05 1.18 0.65 0.00 0.09 0.00 0.00 178.44 180.41 2xas h ALA 579 N 0.81 1.97 -2.07 1.53 0.00 -0.67 -3.43 119.26 117.41 2xas h ALA 579 Ca 0.09 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.41 2xas h ALA 579 Cb 0.85 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2xas h ALA 579 CO 0.07 -0.80 0.87 -2.00 0.00 0.00 0.00 179.25 177.39 2xas s GLU 580 N -4.28 4.17 0.00 0.00 2.12 -1.13 -2.60 118.70 116.98 2xas s GLU 580 Ca -0.03 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.71 2xas s GLU 580 Cb 0.10 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2xas s GLU 580 CO 0.33 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 2xas n GLY 581 N 3.65 0.84 3.34 -1.50 0.00 -1.26 -5.09 105.19 105.17 2xas n GLY 581 Ca 0.13 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2xas n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xas s LEU 582 N 0.00 2.37 -0.76 0.99 1.43 -1.07 -5.07 118.68 116.57 2xas s LEU 582 Ca 0.00 -0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 52.06 2xas s LEU 582 Cb 0.00 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.31 2xas s LEU 582 CO 0.00 0.05 1.21 -0.62 0.23 0.00 0.00 176.35 177.22 2xas s ASP 583 N -2.32 6.22 -0.12 2.29 2.15 -1.26 -4.99 116.67 118.64 2xas s ASP 583 Ca 0.13 -0.77 0.01 0.00 0.43 0.00 0.00 52.55 52.35 2xas s ASP 583 Cb -0.08 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 2xas s ASP 583 CO 0.06 -1.67 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.59 2xas s ILE 584 N 5.10 2.60 -0.58 4.11 1.01 -1.26 -1.70 121.20 130.47 2xas s ILE 584 Ca 0.33 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2xas s ILE 584 Cb -0.09 -2.06 0.14 0.00 0.01 0.00 0.00 42.46 40.46 2xas s ILE 584 CO 0.10 0.54 0.51 -0.54 0.00 0.00 0.00 174.94 175.54 2xas s LYS 585 N 0.45 2.97 0.73 2.79 -0.14 -0.10 -4.98 119.74 121.46 2xas s LYS 585 Ca -0.13 -1.88 -0.11 0.00 -1.36 0.00 0.00 55.97 52.50 2xas s LYS 585 Cb -0.17 -4.22 0.03 0.00 -1.68 0.00 0.00 37.83 31.79 2xas s LYS 585 CO 0.05 -1.29 1.07 -0.51 -0.76 0.00 0.00 175.35 173.92 2xas s LEU 586 N 1.25 2.93 -1.26 3.17 1.43 -1.26 -1.70 118.68 123.23 2xas s LEU 586 Ca 0.07 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2xas s LEU 586 Cb -0.25 -4.26 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 2xas s LEU 586 CO -0.00 -1.61 0.74 0.59 0.23 0.00 0.00 176.35 176.30 2xas n ASN 587 N -3.22 -2.04 -3.52 2.29 3.02 0.14 -4.86 115.26 107.05 2xas n ASN 587 Ca 0.07 -0.82 -0.27 0.00 -0.03 0.00 0.00 54.58 53.54 2xas n ASN 587 Cb 0.55 -4.14 -0.14 0.00 -0.61 0.00 0.00 39.78 35.43 2xas n ASN 587 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2xas s THR 588 N -3.61 -0.13 -0.48 3.41 2.01 0.87 -2.61 115.64 115.09 2xas s THR 588 Ca 0.08 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 2xas s THR 588 Cb -0.02 -0.94 0.05 0.00 0.01 0.00 0.00 72.50 71.59 2xas s THR 588 CO 0.81 -0.64 0.60 0.00 -0.69 0.00 0.00 174.62 174.70 2xas s ALA 589 N 2.15 3.39 0.34 7.40 0.00 -0.48 -2.78 121.76 131.78 2xas s ALA 589 Ca 0.08 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 2xas s ALA 589 Cb -0.16 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 2xas s ALA 589 CO -0.34 -1.91 1.51 0.08 0.00 0.00 0.00 175.76 175.10 2xas s VAL 590 N 2.58 2.13 0.00 0.00 1.01 -1.26 -1.51 120.40 123.35 2xas s VAL 590 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2xas s VAL 590 Cb -0.18 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2xas s VAL 590 CO 0.13 0.03 0.00 0.54 0.00 0.00 0.00 175.10 175.80 2xas n ARG 591 N 1.15 2.14 -3.76 2.72 5.12 0.68 -4.72 116.66 119.98 2xas n ARG 591 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.82 2xas n ARG 591 Cb 0.39 -0.86 -0.14 0.00 -1.16 0.00 0.00 32.46 30.69 2xas n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2xas s GLN 592 N -1.73 0.11 -0.21 5.56 0.74 -0.88 -1.28 119.66 121.98 2xas s GLN 592 Ca 0.00 0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.71 2xas s GLN 592 Cb 0.00 -0.12 -0.01 0.00 1.10 0.00 0.00 33.01 33.98 2xas s GLN 592 CO 0.00 -0.13 -0.06 0.08 -0.55 0.00 0.00 175.29 174.63 2xas s VAL 593 N 0.93 3.28 -0.14 1.34 1.01 0.21 -0.82 120.40 126.20 2xas s VAL 593 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2xas s VAL 593 Cb -0.09 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2xas s VAL 593 CO -0.05 0.44 -0.15 -0.13 0.00 0.00 0.00 175.10 175.21 2xas s ARG 594 N 1.41 3.27 -0.02 2.72 0.52 0.03 0.15 118.95 127.03 2xas s ARG 594 Ca 0.05 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 2xas s ARG 594 Cb -0.14 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2xas s ARG 594 CO -0.04 0.09 -0.03 1.52 0.02 0.00 0.00 175.30 176.87 2xas s TYR 595 N 0.63 0.48 0.19 -0.53 1.13 -0.17 -0.19 117.35 118.90 2xas s TYR 595 Ca -0.08 -0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.48 2xas s TYR 595 Cb -0.16 -0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 40.23 2xas s TYR 595 CO 0.03 -0.10 0.12 0.95 -2.51 0.00 0.00 175.55 174.04 2xas s THR 596 N 0.54 0.01 0.52 -3.49 -4.23 0.12 -4.27 115.64 104.84 2xas s THR 596 Ca -0.06 -1.98 0.40 0.00 -1.18 0.00 0.00 61.69 58.88 2xas s THR 596 Cb -0.09 -2.43 0.61 0.00 1.34 0.00 0.00 72.50 71.93 2xas s THR 596 CO -0.01 -0.07 1.68 0.00 -0.54 0.00 0.00 174.62 175.69 2xas h ALA 597 N 2.65 3.32 -0.02 3.99 0.00 -1.91 -0.93 119.26 126.36 2xas h ALA 597 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2xas h ALA 597 Cb 1.24 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2xas h ALA 597 CO 0.54 -1.80 0.00 -1.13 0.00 0.00 0.00 179.25 176.85 2xas n SER 598 N -4.19 1.51 0.00 0.00 3.41 -1.26 -4.91 113.62 108.19 2xas n SER 598 Ca 0.35 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2xas n SER 598 Cb 1.57 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 2xas n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xas n GLY 599 N 0.21 -2.20 3.15 5.00 0.00 -0.36 -4.99 105.19 106.00 2xas n GLY 599 Ca 0.03 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 2xas n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xas s GLU 601 N -1.67 1.29 -0.12 0.00 -1.05 0.74 -1.28 118.70 116.62 2xas s GLU 601 Ca -0.03 -0.53 0.02 0.00 -0.15 0.00 0.00 54.97 54.29 2xas s GLU 601 Cb -0.10 -1.22 -0.00 0.00 -0.44 0.00 0.00 34.13 32.37 2xas s GLU 601 CO 0.02 0.29 -0.20 0.08 0.95 0.00 0.00 175.26 176.40 2xas s VAL 602 N -0.23 2.44 -0.30 1.83 1.01 0.53 -0.79 120.40 124.87 2xas s VAL 602 Ca 0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2xas s VAL 602 Cb -0.07 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2xas s VAL 602 CO -0.00 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.06 2xas s ILE 603 N 0.39 3.54 0.36 2.22 1.01 -0.00 -0.77 121.20 127.96 2xas s ILE 603 Ca -0.15 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.56 2xas s ILE 603 Cb -0.17 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2xas s ILE 603 CO 0.07 -0.02 0.25 0.00 0.00 0.00 0.00 174.94 175.24 2xas s ALA 604 N 1.39 3.76 0.41 9.38 0.00 -0.85 -0.23 121.76 135.62 2xas s ALA 604 Ca -0.01 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.18 2xas s ALA 604 Cb -0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2xas s ALA 604 CO 0.01 -0.05 0.08 0.14 0.00 0.00 0.00 175.76 175.94 2xas s VAL 605 N -2.41 0.89 -0.13 0.00 -7.23 -0.57 -1.29 120.40 109.65 2xas s VAL 605 Ca 0.42 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 2xas s VAL 605 Cb -0.03 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2xas s VAL 605 CO 0.25 0.00 0.52 0.21 -0.31 0.00 0.00 175.10 175.77 2xas s ASN 606 N -3.64 6.70 0.40 4.85 2.47 -1.08 -1.38 114.94 123.26 2xas s ASN 606 Ca 0.23 0.84 0.11 0.00 0.42 0.00 0.00 52.86 54.46 2xas s ASN 606 Cb 0.04 -2.31 0.84 0.00 -1.45 0.00 0.00 41.25 38.37 2xas s ASN 606 CO 0.13 -0.07 1.93 0.71 -3.72 0.00 0.00 177.10 176.08 2xas h THR 607 N 4.83 1.17 0.15 -5.21 1.35 -1.83 -3.12 112.91 110.25 2xas h THR 607 Ca -0.39 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.70 2xas h THR 607 Cb 1.17 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2xas h THR 607 CO 0.75 0.23 -0.07 0.03 -0.25 0.00 0.00 175.52 176.21 2xas h ARG 608 N 0.15 -0.19 -4.80 4.72 3.08 -1.93 -3.43 114.38 111.98 2xas h ARG 608 Ca 0.03 0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.41 2xas h ARG 608 Cb 0.37 0.04 -0.30 0.00 0.08 0.00 0.00 29.97 30.17 2xas h ARG 608 CO 0.02 -0.13 -0.67 -1.54 -1.07 0.00 0.00 179.97 176.58 2xas s SER 609 N -4.06 4.87 0.00 7.04 1.04 -1.24 -5.01 113.70 116.34 2xas s SER 609 Ca -0.03 -0.97 0.16 0.00 0.48 0.00 0.00 55.95 55.59 2xas s SER 609 Cb 0.00 -1.77 0.62 0.00 0.10 0.00 0.00 66.02 64.97 2xas s SER 609 CO 0.09 -0.21 1.45 0.35 0.98 0.00 0.00 173.24 175.89 2xas n THR 610 N 4.74 0.24 0.36 2.02 -2.24 -1.18 -2.59 114.28 115.63 2xas n THR 610 Ca -0.14 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.44 2xas n THR 610 Cb 0.46 0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.97 2xas n THR 610 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2xas n SER 611 N 0.18 0.73 -4.56 3.42 3.41 -1.26 -4.68 113.62 110.86 2xas n SER 611 Ca 0.14 0.14 -0.40 0.00 -0.26 0.00 0.00 58.87 58.48 2xas n SER 611 Cb 0.26 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2xas n SER 611 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2xas s GLN 612 N -3.27 3.42 0.31 4.33 -0.44 -1.07 -5.00 119.66 117.94 2xas s GLN 612 Ca 0.02 -0.83 -0.08 0.00 -2.50 0.00 0.00 55.36 51.98 2xas s GLN 612 Cb 0.12 -5.04 -0.06 0.00 -1.64 0.00 0.00 33.01 26.39 2xas s GLN 612 CO 0.77 -2.27 0.61 0.99 0.50 0.00 0.00 175.29 175.90 2xas s THR 613 N 5.50 4.93 0.01 -0.34 2.01 -1.26 -2.64 115.64 123.86 2xas s THR 613 Ca 0.45 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.78 2xas s THR 613 Cb -0.03 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2xas s THR 613 CO -0.03 -0.31 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.16 2xas s PHE 614 N -2.10 0.55 -0.08 4.92 0.08 -0.41 -4.99 117.98 115.95 2xas s PHE 614 Ca 0.47 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.32 2xas s PHE 614 Cb -0.11 -0.35 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 2xas s PHE 614 CO 0.28 -0.03 -0.15 0.42 -0.10 0.00 0.00 175.22 175.64 2xas s ILE 615 N -0.54 1.37 -0.15 0.64 -1.09 -1.26 -2.01 121.20 118.16 2xas s ILE 615 Ca -0.02 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 2xas s ILE 615 Cb -0.05 -1.24 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 2xas s ILE 615 CO 0.00 0.41 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.62 2xas s TYR 616 N 0.72 2.73 -0.03 3.97 1.51 0.05 -4.96 117.35 121.33 2xas s TYR 616 Ca -0.13 -1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 54.66 2xas s TYR 616 Cb -0.16 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2xas s TYR 616 CO 0.03 -0.58 0.05 0.15 -1.11 0.00 0.00 175.55 174.09 2xas s LYS 617 N 0.88 3.03 0.06 -0.62 -0.14 -1.26 -0.35 119.74 121.34 2xas s LYS 617 Ca -0.05 -0.45 -0.28 0.00 -1.36 0.00 0.00 55.97 53.83 2xas s LYS 617 Cb -0.15 -2.84 0.09 0.00 -1.68 0.00 0.00 37.83 33.24 2xas s LYS 617 CO -0.02 0.67 0.98 0.00 -0.76 0.00 0.00 175.35 176.21 2xas h ASP 619 N 2.00 0.57 -4.55 0.00 3.32 -0.46 -0.37 116.42 116.92 2xas h ASP 619 Ca -0.23 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.19 2xas h ASP 619 Cb 1.23 -0.17 -0.23 0.00 0.22 0.00 0.00 39.33 40.37 2xas h ASP 619 CO 0.28 1.27 -0.57 0.00 -1.72 0.00 0.00 179.24 178.50 2xas s ALA 620 N -3.23 -0.22 -0.18 3.45 0.00 -1.11 -4.52 121.76 115.95 2xas s ALA 620 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2xas s ALA 620 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2xas s ALA 620 CO 0.87 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.50 2xas s VAL 621 N -0.89 3.34 -0.30 0.00 1.01 -0.49 -1.28 120.40 121.78 2xas s VAL 621 Ca -0.10 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2xas s VAL 621 Cb -0.06 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2xas s VAL 621 CO 0.01 0.47 0.14 -0.22 0.00 0.00 0.00 175.10 175.50 2xas s LEU 622 N 0.92 3.99 -0.39 3.92 2.96 0.26 0.31 118.68 130.65 2xas s LEU 622 Ca -0.01 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 2xas s LEU 622 Cb -0.15 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2xas s LEU 622 CO 0.00 -0.15 0.34 0.00 -1.32 0.00 0.00 176.35 175.22 2xas n THR 624 N 5.24 2.45 -1.58 0.00 -2.24 -0.50 -2.48 114.28 115.17 2xas n THR 624 Ca -0.10 -2.09 -0.48 0.00 -2.27 0.00 0.00 64.05 59.12 2xas n THR 624 Cb 0.48 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 2xas n THR 624 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2xas n LEU 625 N -0.65 1.65 -4.61 3.22 4.77 -1.26 -4.84 117.00 115.28 2xas n LEU 625 Ca 0.27 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 57.05 2xas n LEU 625 Cb 1.00 -1.24 0.09 0.00 -2.33 0.00 0.00 43.42 40.95 2xas n LEU 625 CO 0.20 -1.28 0.52 -2.65 -1.33 0.00 0.00 177.39 172.86 2xas n PRO 626 N 1.60 0.42 -0.15 3.23 -0.02 -1.26 -4.83 135.00 133.99 2xas n PRO 626 Ca 0.14 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 2xas n PRO 626 Cb 0.26 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2xas n PRO 626 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2xas h LEU 627 N -0.41 0.80 -0.66 2.45 5.85 -1.91 -1.62 115.31 119.82 2xas h LEU 627 Ca -0.47 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.04 2xas h LEU 627 Cb 1.33 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 2xas h LEU 627 CO 0.46 0.96 -0.17 1.23 -0.34 0.00 0.00 178.44 180.58 2xas h GLY 628 N 0.63 0.47 0.73 3.75 0.00 -1.82 0.07 103.07 106.91 2xas h GLY 628 Ca 0.11 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.68 2xas h GLY 628 CO 0.04 -0.25 -0.12 -2.08 0.00 0.00 0.00 176.54 174.12 2xas h VAL 629 N -0.00 0.70 0.00 4.60 2.07 -1.57 -2.43 116.25 119.62 2xas h VAL 629 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2xas h VAL 629 Cb 0.48 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2xas h VAL 629 CO -0.68 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 176.90 2xas h LEU 630 N -0.23 0.00 0.00 2.57 3.38 -0.12 -1.06 115.31 119.86 2xas h LEU 630 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2xas h LEU 630 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2xas h LEU 630 CO -0.10 0.00 -0.90 0.29 0.09 0.00 0.00 178.44 177.82 2xas n LYS 631 N -2.86 0.37 -1.60 1.13 5.02 -0.15 -5.00 118.16 115.08 2xas n LYS 631 Ca -0.02 0.05 -0.47 0.00 -2.02 0.00 0.00 58.31 55.85 2xas n LYS 631 Cb 0.11 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2xas n LYS 631 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2xas n GLN 632 N -2.19 1.36 -3.90 1.97 6.02 -0.40 -4.98 117.38 115.26 2xas n GLN 632 Ca 0.02 0.48 -0.29 0.00 -0.01 0.00 0.00 57.00 57.21 2xas n GLN 632 Cb 0.47 -2.00 -0.16 0.00 1.02 0.00 0.00 30.24 29.57 2xas n GLN 632 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2xas s GLN 633 N -0.54 1.49 0.51 -1.09 2.00 -1.26 -3.06 119.66 117.70 2xas s GLN 633 Ca 0.70 -0.58 -0.02 0.00 -2.00 0.00 0.00 55.36 53.46 2xas s GLN 633 Cb -0.79 -2.10 0.00 0.00 0.80 0.00 0.00 33.01 30.93 2xas s GLN 633 CO 0.53 -0.45 0.76 -1.25 -0.50 0.00 0.00 175.29 174.37 2xas s PRO 634 N 1.60 2.97 0.35 1.67 0.04 -1.26 -5.10 135.00 135.27 2xas s PRO 634 Ca -0.00 -0.35 -0.28 0.00 0.04 0.00 0.00 61.00 60.41 2xas s PRO 634 Cb -0.16 -2.46 -0.12 0.00 0.04 0.00 0.00 34.50 31.81 2xas s PRO 634 CO -0.08 -0.45 1.38 -2.30 0.04 0.00 0.00 177.00 175.60 2xas n PRO 635 N -2.27 2.38 0.04 0.56 -0.02 -1.17 -4.92 135.00 129.59 2xas n PRO 635 Ca 0.03 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.27 2xas n PRO 635 Cb 0.58 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 2xas n PRO 635 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xas h ALA 636 N 2.81 0.45 -3.68 3.55 0.00 -1.82 -3.44 119.26 117.13 2xas h ALA 636 Ca -0.48 -1.04 -0.61 0.00 0.00 0.00 0.00 54.91 52.78 2xas h ALA 636 Cb 1.26 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.73 2xas h ALA 636 CO 0.64 1.33 -0.85 0.08 0.00 0.00 0.00 179.25 180.45 2xas s VAL 637 N -2.68 1.64 -0.17 0.00 1.01 -1.26 -4.68 120.40 114.26 2xas s VAL 637 Ca -0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2xas s VAL 637 Cb 0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2xas s VAL 637 CO 0.82 0.47 0.07 -1.58 0.00 0.00 0.00 175.10 174.88 2xas s GLN 638 N 0.21 3.84 -0.15 2.72 0.74 -0.40 -4.99 119.66 121.63 2xas s GLN 638 Ca -0.10 -0.31 -0.07 0.00 0.05 0.00 0.00 55.36 54.93 2xas s GLN 638 Cb -0.14 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 2xas s GLN 638 CO 0.04 0.38 0.09 -0.06 -0.55 0.00 0.00 175.29 175.19 2xas s PHE 639 N 0.08 3.37 -0.31 1.67 0.08 -1.26 -0.61 117.98 120.99 2xas s PHE 639 Ca 0.06 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 2xas s PHE 639 Cb -0.12 -2.01 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 2xas s PHE 639 CO 0.01 0.40 0.11 0.08 -0.10 0.00 0.00 175.22 175.72 2xas s VAL 640 N -0.25 0.71 0.92 -0.44 1.01 0.12 -2.31 120.40 120.16 2xas s VAL 640 Ca 0.09 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 2xas s VAL 640 Cb -0.12 -1.54 0.15 0.00 0.00 0.00 0.00 36.38 34.87 2xas s VAL 640 CO 0.01 -0.69 1.19 -2.16 0.00 0.00 0.00 175.10 173.45 2xas s PRO 641 N 1.69 1.06 0.81 2.72 0.04 -1.26 -1.00 135.00 139.06 2xas s PRO 641 Ca 0.10 0.03 -0.13 0.00 0.04 0.00 0.00 61.00 61.04 2xas s PRO 641 Cb -0.17 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2xas s PRO 641 CO -0.27 -2.20 1.16 -2.30 0.04 0.00 0.00 177.00 173.43 2xas n PRO 642 N -3.72 0.15 -2.31 0.56 -0.02 -0.98 -4.92 135.00 123.77 2xas n PRO 642 Ca 0.10 0.13 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 2xas n PRO 642 Cb 0.60 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2xas n PRO 642 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xas s LEU 643 N -5.38 4.49 0.75 2.45 1.43 -1.26 -4.97 118.68 116.18 2xas s LEU 643 Ca 0.73 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 56.13 2xas s LEU 643 Cb -0.29 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.31 2xas s LEU 643 CO 0.52 -0.33 0.97 -0.81 0.23 0.00 0.00 176.35 176.93 2xas n PRO 644 N 1.07 0.42 0.09 1.29 -0.04 -1.26 -4.70 135.00 131.87 2xas n PRO 644 Ca -0.00 0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.65 2xas n PRO 644 Cb 0.43 -2.23 0.26 0.00 -0.04 0.00 0.00 33.50 31.92 2xas n PRO 644 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2xas h GLU 645 N -0.42 0.26 -0.57 0.54 -0.00 -1.98 -0.75 114.58 111.67 2xas h GLU 645 Ca -0.47 -0.10 0.14 0.00 -0.00 0.00 0.00 59.36 58.93 2xas h GLU 645 Cb 1.33 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 30.03 2xas h GLU 645 CO 0.46 0.56 0.40 0.11 -0.00 0.00 0.00 179.01 180.54 2xas h TRP 646 N 0.23 0.17 0.21 2.06 5.08 -2.00 -0.44 115.95 121.25 2xas h TRP 646 Ca 0.03 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.66 2xas h TRP 646 Cb 0.69 -0.06 0.02 0.00 -3.00 0.00 0.00 29.16 26.81 2xas h TRP 646 CO 0.01 0.07 -1.63 -0.22 -1.28 0.00 0.00 178.44 175.39 2xas h LYS 647 N 0.15 0.44 0.00 0.12 1.63 -1.50 -3.24 116.57 114.17 2xas h LYS 647 Ca 0.27 -0.76 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 2xas h LYS 647 Cb 0.86 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2xas h LYS 647 CO -0.04 1.36 -0.22 1.79 -3.45 0.00 0.00 179.45 178.88 2xas h THR 648 N 0.12 0.41 -0.20 1.00 1.35 -0.84 -1.77 112.91 112.98 2xas h THR 648 Ca -0.30 -1.45 -0.17 0.00 -0.55 0.00 0.00 66.41 63.94 2xas h THR 648 Cb 2.12 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 70.64 2xas h THR 648 CO 0.22 0.22 -0.56 0.28 -0.25 0.00 0.00 175.52 175.43 2xas h SER 649 N 0.00 0.67 0.34 5.36 0.02 -1.24 -2.23 113.55 116.47 2xas h SER 649 Ca -0.00 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2xas h SER 649 Cb 1.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2xas h SER 649 CO 0.03 1.09 -0.18 0.00 -1.14 0.00 0.00 176.83 176.63 2xas h ALA 650 N 0.92 1.40 -0.08 3.77 0.00 -1.46 0.11 119.26 123.92 2xas h ALA 650 Ca 0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2xas h ALA 650 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2xas h ALA 650 CO 0.11 0.23 -0.31 0.28 0.00 0.00 0.00 179.25 179.56 2xas h VAL 651 N 0.00 1.41 -0.01 0.00 2.07 -0.99 -2.85 116.25 115.88 2xas h VAL 651 Ca -0.00 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.87 2xas h VAL 651 Cb 0.40 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 2xas h VAL 651 CO 0.02 0.48 -0.30 1.56 0.02 0.00 0.00 177.57 179.36 2xas h GLN 652 N -0.12 -0.43 -0.70 1.57 7.50 -1.16 -3.28 115.11 118.50 2xas h GLN 652 Ca -0.01 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.18 2xas h GLN 652 Cb 0.94 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 28.53 2xas h GLN 652 CO 0.06 -0.28 0.45 0.00 -1.50 0.00 0.00 178.83 177.56 2xas h ARG 653 N -0.44 0.87 -7.23 1.46 3.08 -0.83 -3.43 114.38 107.85 2xas h ARG 653 Ca 0.07 -0.05 -0.52 0.00 0.07 0.00 0.00 59.98 59.54 2xas h ARG 653 Cb 0.53 -0.20 0.15 0.00 0.08 0.00 0.00 29.97 30.54 2xas h ARG 653 CO -0.26 0.57 0.33 -1.64 -1.07 0.00 0.00 179.97 177.90 2xas s MET 654 N -6.13 2.03 -0.13 0.04 -1.94 -1.08 -4.61 119.30 107.50 2xas s MET 654 Ca -0.13 1.50 -0.08 0.00 -1.71 0.00 0.00 55.69 55.28 2xas s MET 654 Cb 0.15 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.10 2xas s MET 654 CO 0.77 -1.86 0.15 0.20 -0.01 0.00 0.00 175.02 174.26 2xas s GLY 655 N -2.60 2.15 -0.26 -0.03 0.00 -1.11 -4.86 107.32 100.62 2xas s GLY 655 Ca 0.68 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.78 2xas s GLY 655 CO 0.50 -0.31 -0.02 -0.12 0.00 0.00 0.00 173.10 173.15 2xas s PHE 656 N -0.87 2.61 0.00 1.90 5.36 -1.26 -0.63 117.98 125.09 2xas s PHE 656 Ca 0.14 -2.01 0.00 0.00 -0.96 0.00 0.00 56.93 54.11 2xas s PHE 656 Cb -0.12 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2xas s PHE 656 CO 0.04 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 2xas n GLY 657 N 4.60 -0.65 3.27 13.12 0.00 -0.14 -4.81 105.19 120.59 2xas n GLY 657 Ca -0.08 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2xas n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2xas s ASN 658 N -1.00 -0.17 -0.29 1.61 2.47 -0.56 -0.85 114.94 116.15 2xas s ASN 658 Ca 0.00 -0.13 -0.22 0.00 0.42 0.00 0.00 52.86 52.93 2xas s ASN 658 Cb 0.00 0.38 0.15 0.00 -1.45 0.00 0.00 41.25 40.32 2xas s ASN 658 CO 0.00 -0.63 1.11 -0.22 -3.72 0.00 0.00 177.10 173.64 2xas s LEU 659 N -2.04 -0.37 0.07 3.21 2.96 -1.26 -4.23 118.68 117.02 2xas s LEU 659 Ca -0.05 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 2xas s LEU 659 Cb -0.01 1.66 -0.03 0.00 0.50 0.00 0.00 46.19 48.31 2xas s LEU 659 CO -0.03 -0.11 -0.13 0.20 -1.32 0.00 0.00 176.35 174.96 2xas s ASN 660 N 0.50 1.57 0.12 3.68 0.01 -0.95 -4.69 114.94 115.18 2xas s ASN 660 Ca 0.01 -0.63 0.09 0.00 -0.71 0.00 0.00 52.86 51.62 2xas s ASN 660 Cb -0.05 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.54 2xas s ASN 660 CO -0.10 -0.11 -0.18 -0.54 -1.51 0.00 0.00 177.10 174.66 2xas s LYS 661 N -1.81 1.77 -0.16 -0.60 1.02 -1.26 -0.39 119.74 118.31 2xas s LYS 661 Ca -0.02 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.78 2xas s LYS 661 Cb -0.09 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2xas s LYS 661 CO 0.02 0.47 -0.18 0.08 -0.92 0.00 0.00 175.35 174.82 2xas s VAL 662 N -1.17 1.86 -0.27 3.17 1.01 0.14 -2.03 120.40 123.10 2xas s VAL 662 Ca 0.18 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2xas s VAL 662 Cb -0.10 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2xas s VAL 662 CO 0.10 0.51 0.25 -0.69 0.00 0.00 0.00 175.10 175.27 2xas s VAL 663 N 1.24 5.27 -0.28 2.92 1.01 0.15 -0.83 120.40 129.88 2xas s VAL 663 Ca 0.02 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 2xas s VAL 663 Cb -0.14 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2xas s VAL 663 CO -0.09 0.24 0.00 -0.76 0.00 0.00 0.00 175.10 174.49 2xas s LEU 664 N 1.72 3.64 -0.20 3.92 1.43 0.56 -2.03 118.68 127.73 2xas s LEU 664 Ca 0.10 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.17 2xas s LEU 664 Cb -0.15 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2xas s LEU 664 CO 0.10 -0.20 0.03 0.00 0.23 0.00 0.00 176.35 176.51 2xas s PHE 666 N 0.82 2.12 -0.95 0.00 0.08 -0.36 -0.03 117.98 119.66 2xas s PHE 666 Ca 0.02 -0.82 0.22 0.00 0.12 0.00 0.00 56.93 56.47 2xas s PHE 666 Cb -0.14 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2xas s PHE 666 CO 0.02 0.19 1.04 -0.40 -0.10 0.00 0.00 175.22 175.97 2xas n ASP 667 N -0.75 0.81 -3.78 1.36 5.75 -1.26 -4.53 116.55 114.16 2xas n ASP 667 Ca -0.04 -0.72 -0.13 0.00 -0.01 0.00 0.00 54.79 53.90 2xas n ASP 667 Cb 0.66 0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 41.45 2xas n ASP 667 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xas s ARG 668 N -3.02 0.41 0.21 0.11 3.03 -1.26 -5.01 118.95 113.42 2xas s ARG 668 Ca 0.08 0.22 -0.31 0.00 2.03 0.00 0.00 55.73 57.75 2xas s ARG 668 Cb 0.16 0.19 -0.10 0.00 -1.03 0.00 0.00 34.95 34.17 2xas s ARG 668 CO 0.82 -0.07 1.49 0.08 -1.13 0.00 0.00 175.30 176.49 2xas s VAL 669 N -0.25 2.66 0.00 4.99 1.01 -1.26 -4.89 120.40 122.66 2xas s VAL 669 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2xas s VAL 669 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2xas s VAL 669 CO 0.01 0.06 0.59 2.22 0.00 0.00 0.00 175.10 177.99 2xas n PHE 670 N 3.04 0.00 -3.93 5.22 1.16 -1.26 -5.06 117.46 116.63 2xas n PHE 670 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.44 2xas n PHE 670 Cb 0.40 0.02 -0.05 0.00 -1.61 0.00 0.00 39.48 38.23 2xas n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2xas s TRP 671 N 0.00 2.57 -0.43 2.97 -2.14 -1.26 -5.01 118.94 115.63 2xas s TRP 671 Ca 0.00 -0.58 -0.28 0.00 2.66 0.00 0.00 56.10 57.91 2xas s TRP 671 Cb 0.00 -2.03 -0.02 0.00 -3.10 0.00 0.00 33.47 28.32 2xas s TRP 671 CO 0.00 0.04 1.88 0.34 -2.66 0.00 0.00 176.95 176.55 2xas s ASP 672 N -4.01 5.55 0.57 -2.66 -1.08 -1.26 -4.86 116.67 108.93 2xas s ASP 672 Ca 0.42 0.99 0.27 0.00 -0.52 0.00 0.00 52.55 53.71 2xas s ASP 672 Cb 0.01 -2.52 1.56 0.00 -1.46 0.00 0.00 42.92 40.51 2xas s ASP 672 CO 0.24 -2.04 2.07 -0.65 0.52 0.00 0.00 175.17 175.32 2xas h PRO 673 N 14.19 0.00 0.00 4.34 0.11 -1.98 0.60 132.00 149.27 2xas h PRO 673 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2xas h PRO 673 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2xas h PRO 673 CO 1.10 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.76 2xas n SER 674 N -3.97 0.00 -4.39 -2.05 3.41 -1.26 -4.77 113.62 100.58 2xas n SER 674 Ca 0.03 -0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 2xas n SER 674 Cb 0.38 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 2xas n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2xas s VAL 675 N -2.48 2.99 -0.07 -3.33 1.01 0.20 -5.00 120.40 113.72 2xas s VAL 675 Ca 0.28 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2xas s VAL 675 Cb 0.18 -2.23 -0.28 0.00 0.00 0.00 0.00 36.38 34.06 2xas s VAL 675 CO 0.39 0.54 0.58 0.78 0.00 0.00 0.00 175.10 177.40 2xas h ASN 676 N 6.38 0.43 -4.18 3.32 -0.26 -1.80 -3.41 115.58 116.06 2xas h ASN 676 Ca -0.30 -0.77 -0.21 0.00 -0.56 0.00 0.00 56.30 54.46 2xas h ASN 676 Cb 1.20 -0.14 -0.25 0.00 -1.06 0.00 0.00 38.32 38.07 2xas h ASN 676 CO 0.54 1.67 -0.70 -1.48 -1.06 0.00 0.00 177.43 176.40 2xas s LEU 677 N -7.01 2.03 -0.06 1.61 2.34 -1.26 0.98 118.68 117.31 2xas s LEU 677 Ca -0.16 -0.15 -0.07 0.00 0.06 0.00 0.00 54.13 53.81 2xas s LEU 677 Cb 0.06 0.08 0.02 0.00 -0.56 0.00 0.00 46.19 45.79 2xas s LEU 677 CO 0.82 -0.11 0.18 0.72 -1.06 0.00 0.00 176.35 176.90 2xas s PHE 678 N -0.51 -0.18 0.16 3.48 -0.71 -0.92 -4.16 117.98 115.15 2xas s PHE 678 Ca -0.06 0.44 0.03 0.00 -1.04 0.00 0.00 56.93 56.30 2xas s PHE 678 Cb -0.04 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 2xas s PHE 678 CO -0.00 -0.12 0.29 0.20 -1.34 0.00 0.00 175.22 174.25 2xas s GLY 679 N -0.06 1.63 -0.05 1.99 0.00 -0.47 -1.24 107.32 109.13 2xas s GLY 679 Ca -0.02 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.70 2xas s GLY 679 CO 0.00 -1.07 -0.25 -1.58 0.00 0.00 0.00 173.10 170.20 2xas s HIS 680 N -1.78 2.41 -0.27 1.90 5.04 -0.70 -2.59 115.29 119.31 2xas s HIS 680 Ca 0.34 -0.61 -0.10 0.00 -1.54 0.00 0.00 55.06 53.15 2xas s HIS 680 Cb -0.11 -1.57 -0.05 0.00 0.04 0.00 0.00 32.58 30.90 2xas s HIS 680 CO 0.28 -0.15 0.17 0.08 -2.34 0.00 0.00 174.74 172.79 2xas s VAL 681 N -0.32 5.22 0.82 0.89 1.01 -0.86 -4.51 120.40 122.64 2xas s VAL 681 Ca 0.01 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2xas s VAL 681 Cb -0.12 -3.47 0.08 0.00 0.00 0.00 0.00 36.38 32.87 2xas s VAL 681 CO 0.02 0.29 1.13 -0.83 0.00 0.00 0.00 175.10 175.71 2xas s GLY 682 N 1.55 1.60 0.02 4.51 0.00 -1.26 -2.90 107.32 110.83 2xas s GLY 682 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 2xas s GLY 682 CO 0.09 0.03 0.94 1.76 0.00 0.00 0.00 173.10 175.91 2xas h SER 683 N -1.12 0.67 -1.96 1.64 0.02 -1.96 -3.45 113.55 107.39 2xas h SER 683 Ca -0.47 -0.78 -0.62 0.00 -0.84 0.00 0.00 61.79 59.08 2xas h SER 683 Cb 1.30 -0.22 -0.13 0.00 0.14 0.00 0.00 62.40 63.49 2xas h SER 683 CO 0.63 1.63 -0.68 0.42 -1.14 0.00 0.00 176.83 177.68 2xas s THR 684 N -2.61 2.28 0.18 -2.27 -4.23 -1.26 -5.00 115.64 102.73 2xas s THR 684 Ca -0.09 -2.21 -0.13 0.00 -1.18 0.00 0.00 61.69 58.07 2xas s THR 684 Cb 0.05 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.37 2xas s THR 684 CO 0.91 -0.22 1.71 0.74 -0.54 0.00 0.00 174.62 177.22 2xas h THR 685 N 2.03 0.72 -0.25 3.99 2.02 -1.94 -3.02 112.91 116.47 2xas h THR 685 Ca -0.42 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 66.76 2xas h THR 685 Cb 1.25 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2xas h THR 685 CO 0.69 0.04 0.21 0.00 0.37 0.00 0.00 175.52 176.83 2xas h ALA 686 N 1.38 2.05 -0.09 6.16 0.00 -2.00 -0.91 119.26 125.84 2xas h ALA 686 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2xas h ALA 686 Cb 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2xas h ALA 686 CO -0.32 -0.34 -0.35 -1.13 0.00 0.00 0.00 179.25 177.11 2xas n SER 687 N -4.13 1.98 0.28 0.00 3.41 -1.15 -4.62 113.62 109.39 2xas n SER 687 Ca 0.03 -3.80 0.15 0.00 -0.26 0.00 0.00 58.87 54.99 2xas n SER 687 Cb 0.36 -0.55 0.88 0.00 -0.26 0.00 0.00 64.21 64.64 2xas n SER 687 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2xas h ARG 688 N 0.94 0.00 0.00 4.33 0.11 -1.05 -2.28 114.38 116.43 2xas h ARG 688 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2xas h ARG 688 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2xas h ARG 688 CO 0.10 0.00 -0.82 0.78 0.10 0.00 0.00 179.97 180.13 2xas h GLY 689 N 0.00 0.00 -7.05 0.08 0.00 -1.84 -3.42 103.07 90.85 2xas h GLY 689 Ca 0.02 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.80 2xas h GLY 689 CO -0.00 0.00 1.29 1.85 0.00 0.00 0.00 176.54 179.68 2xas s GLU 690 N -3.28 3.15 -1.44 4.80 2.12 -0.86 -2.11 118.70 121.07 2xas s GLU 690 Ca 0.02 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.54 2xas s GLU 690 Cb 0.11 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.26 2xas s GLU 690 CO 0.76 -2.09 0.00 1.28 -0.54 0.00 0.00 175.26 174.67 2xas n LEU 691 N 10.93 -1.48 0.00 2.70 4.77 -1.03 -4.85 117.00 128.04 2xas n LEU 691 Ca 0.22 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 2xas n LEU 691 Cb 0.48 -2.50 0.21 0.00 -2.33 0.00 0.00 43.42 39.28 2xas n LEU 691 CO 0.69 -0.26 0.56 2.22 -1.33 0.00 0.00 177.39 179.27 2xas n PHE 692 N -3.47 0.00 -3.63 -1.77 -1.74 -1.14 -4.57 117.46 101.15 2xas n PHE 692 Ca -0.19 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.60 2xas n PHE 692 Cb 0.63 -0.28 -0.07 0.00 1.52 0.00 0.00 39.48 41.29 2xas n PHE 692 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2xas s LEU 693 N -2.56 -0.50 0.05 5.98 2.96 -1.26 -1.71 118.68 121.63 2xas s LEU 693 Ca 0.08 0.93 0.08 0.00 -0.22 0.00 0.00 54.13 54.99 2xas s LEU 693 Cb 0.05 2.00 -0.03 0.00 0.50 0.00 0.00 46.19 48.72 2xas s LEU 693 CO 0.12 -0.20 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.38 2xas s PHE 694 N 0.10 1.89 -0.14 5.38 0.40 -0.37 -1.05 117.98 124.19 2xas s PHE 694 Ca 0.02 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 2xas s PHE 694 Cb -0.04 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2xas s PHE 694 CO -0.04 0.10 -0.19 -1.58 0.70 0.00 0.00 175.22 174.21 2xas s TRP 695 N -0.81 2.45 -0.53 0.36 0.52 0.37 -2.16 118.94 119.15 2xas s TRP 695 Ca 0.08 -1.27 -0.17 0.00 0.02 0.00 0.00 56.10 54.76 2xas s TRP 695 Cb -0.09 -1.71 0.10 0.00 -1.15 0.00 0.00 33.47 30.63 2xas s TRP 695 CO 0.02 -0.61 0.52 1.21 0.02 0.00 0.00 176.95 178.10 2xas s ASN 696 N 1.00 6.18 0.00 2.95 2.47 0.27 -0.89 114.94 126.93 2xas s ASN 696 Ca -0.04 -1.54 0.00 0.00 0.42 0.00 0.00 52.86 51.70 2xas s ASN 696 Cb -0.15 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 2xas s ASN 696 CO -0.04 -0.85 0.00 0.18 -3.72 0.00 0.00 177.10 172.67 2xas n LEU 697 N 5.49 0.00 -4.89 3.21 4.77 -1.26 -4.44 117.00 119.89 2xas n LEU 697 Ca -0.12 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 2xas n LEU 697 Cb 0.42 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2xas n LEU 697 CO 0.53 0.00 0.04 -0.31 -1.33 0.00 0.00 177.39 176.32 2xas s TYR 698 N -1.83 2.04 -0.01 -1.77 1.51 -1.26 -4.88 117.35 111.14 2xas s TYR 698 Ca 0.00 -0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 55.11 2xas s TYR 698 Cb 0.00 -2.02 -0.19 0.00 -0.11 0.00 0.00 41.96 39.63 2xas s TYR 698 CO 0.00 -0.36 1.27 -0.22 -1.11 0.00 0.00 175.55 175.13 2xas h LYS 699 N 0.85 0.07 -7.29 -0.62 3.64 -1.92 -3.44 116.57 107.86 2xas h LYS 699 Ca -0.38 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.45 2xas h LYS 699 Cb 1.29 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.27 2xas h LYS 699 CO 0.57 0.55 0.25 0.00 -2.27 0.00 0.00 179.45 178.55 2xas s ALA 700 N -4.20 1.67 -1.11 5.00 0.00 -1.26 -4.89 121.76 116.97 2xas s ALA 700 Ca -0.16 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 2xas s ALA 700 Cb 0.02 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2xas s ALA 700 CO 0.69 -2.39 1.92 -0.35 0.00 0.00 0.00 175.76 175.64 2xas n PRO 701 N -3.95 1.63 -4.66 0.00 -0.04 -1.26 -4.90 135.00 121.82 2xas n PRO 701 Ca 0.10 -2.37 -0.32 0.00 -0.04 0.00 0.00 63.50 60.86 2xas n PRO 701 Cb 0.53 -3.56 -0.17 0.00 -0.04 0.00 0.00 33.50 30.26 2xas n PRO 701 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2xas s ILE 702 N 9.64 1.99 -0.09 0.52 1.01 -1.26 -1.23 121.20 131.78 2xas s ILE 702 Ca 0.66 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 2xas s ILE 702 Cb 0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2xas s ILE 702 CO 0.13 0.54 0.16 -0.76 0.00 0.00 0.00 174.94 175.01 2xas s LEU 703 N 0.83 4.39 -0.11 2.97 1.43 -0.24 -4.07 118.68 123.87 2xas s LEU 703 Ca -0.07 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2xas s LEU 703 Cb -0.15 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.87 2xas s LEU 703 CO -0.02 0.37 -0.10 -0.22 0.23 0.00 0.00 176.35 176.61 2xas s LEU 704 N -1.24 1.42 -0.05 1.79 0.20 -0.07 -0.32 118.68 120.40 2xas s LEU 704 Ca 0.18 -0.35 0.06 0.00 0.69 0.00 0.00 54.13 54.70 2xas s LEU 704 Cb -0.12 -0.94 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 2xas s LEU 704 CO 0.08 -0.07 -0.22 0.00 -0.29 0.00 0.00 176.35 175.84 2xas s ALA 705 N 1.43 2.29 0.31 5.97 0.00 -0.01 0.14 121.76 131.88 2xas s ALA 705 Ca 0.01 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2xas s ALA 705 Cb -0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2xas s ALA 705 CO -0.06 0.46 0.63 -0.51 0.00 0.00 0.00 175.76 176.27 2xas s LEU 706 N -0.33 4.03 -0.29 0.00 1.02 -0.22 0.27 118.68 123.16 2xas s LEU 706 Ca 0.02 0.93 -0.01 0.00 0.02 0.00 0.00 54.13 55.09 2xas s LEU 706 Cb -0.12 -3.75 0.09 0.00 0.02 0.00 0.00 46.19 42.42 2xas s LEU 706 CO 0.02 -0.22 0.08 -0.69 0.02 0.00 0.00 176.35 175.56 2xas s VAL 707 N -2.08 0.81 0.00 -1.59 1.01 0.48 -2.47 120.40 116.56 2xas s VAL 707 Ca 0.48 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2xas s VAL 707 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2xas s VAL 707 CO 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 175.10 174.80 2xas n ALA 708 N 4.89 0.00 -0.90 5.51 0.00 -0.90 -2.24 120.51 126.87 2xas n ALA 708 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2xas n ALA 708 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2xas n ALA 708 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xas n GLY 709 N 5.00 0.87 0.47 0.00 0.00 -1.26 -2.37 105.19 107.90 2xas n GLY 709 Ca 0.00 -0.84 0.27 0.00 0.00 0.00 0.00 46.02 45.45 2xas n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xas h GLU 710 N 0.00 0.00 -0.25 1.61 4.39 -1.90 -2.40 114.58 116.04 2xas h GLU 710 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2xas h GLU 710 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2xas h GLU 710 CO 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 177.82 2xas h ALA 711 N 1.29 0.33 -0.61 3.43 0.00 -1.77 -3.32 119.26 118.62 2xas h ALA 711 Ca 0.38 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2xas h ALA 711 Cb 1.84 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 2xas h ALA 711 CO -0.00 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.43 2xas h ALA 712 N 0.78 0.68 -1.00 0.00 0.00 -1.04 0.64 119.26 119.33 2xas h ALA 712 Ca 0.07 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2xas h ALA 712 Cb 0.47 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2xas h ALA 712 CO 0.02 -0.34 0.65 0.78 0.00 0.00 0.00 179.25 180.36 2xas h GLY 713 N 0.21 1.49 1.57 0.00 0.00 -1.73 -3.01 103.07 101.60 2xas h GLY 713 Ca 0.32 -0.48 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 2xas h GLY 713 CO -0.45 0.38 -1.04 -2.22 0.00 0.00 0.00 176.54 173.21 2xas h ILE 714 N 1.21 1.43 0.00 2.60 2.04 -1.05 -3.21 117.51 120.52 2xas h ILE 714 Ca 0.42 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2xas h ILE 714 Cb 0.10 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2xas h ILE 714 CO -0.15 0.78 0.00 0.24 0.00 0.00 0.00 178.15 179.02 2xas h MET 715 N 0.18 0.00 0.00 2.37 2.86 -0.97 -2.50 114.93 116.87 2xas h MET 715 Ca -0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2xas h MET 715 Cb 1.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.35 2xas h MET 715 CO 0.18 0.00 -0.21 0.93 1.06 0.00 0.00 176.91 178.86 2xas h GLU 716 N 0.00 0.00 -0.20 1.72 5.08 -1.55 -2.50 114.58 117.13 2xas h GLU 716 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xas h GLU 716 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2xas h GLU 716 CO 0.00 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 2xas n ASN 717 N -3.42 1.11 -4.28 1.42 4.13 -0.94 -4.88 115.26 108.40 2xas n ASN 717 Ca -0.00 -1.95 -0.30 0.00 1.68 0.00 0.00 54.58 54.01 2xas n ASN 717 Cb 0.40 -0.13 -0.16 0.00 -1.54 0.00 0.00 39.78 38.35 2xas n ASN 717 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2xas s ILE 718 N -1.74 1.92 0.82 2.41 1.01 -0.94 -5.12 121.20 119.56 2xas s ILE 718 Ca 0.16 -1.04 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2xas s ILE 718 Cb 0.08 -1.59 0.09 0.00 0.01 0.00 0.00 42.46 41.05 2xas s ILE 718 CO 0.11 0.54 1.14 -0.94 0.00 0.00 0.00 174.94 175.79 2xas s SER 719 N -0.56 3.80 0.18 3.58 1.04 -1.26 -4.85 113.70 115.63 2xas s SER 719 Ca 0.09 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.50 2xas s SER 719 Cb -0.09 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.56 2xas s SER 719 CO -0.01 -2.51 1.75 0.44 0.98 0.00 0.00 173.24 173.88 2xas h ASP 720 N -1.22 0.87 0.71 7.02 3.32 -1.98 -2.41 116.42 122.73 2xas h ASP 720 Ca -0.44 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 2xas h ASP 720 Cb 1.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2xas h ASP 720 CO 0.47 0.80 -0.46 0.44 -1.72 0.00 0.00 179.24 178.77 2xas h ASP 721 N 0.90 -1.18 -0.99 6.45 3.32 -1.98 0.69 116.42 123.62 2xas h ASP 721 Ca 0.21 0.07 0.23 0.00 0.02 0.00 0.00 57.03 57.56 2xas h ASP 721 Cb 0.19 0.35 -0.19 0.00 0.22 0.00 0.00 39.33 39.90 2xas h ASP 721 CO -0.02 -0.70 -0.15 0.52 -1.72 0.00 0.00 179.24 177.18 2xas n VAL 722 N -5.35 -0.42 0.29 -1.35 0.31 -1.18 0.51 118.33 111.14 2xas n VAL 722 Ca -0.13 2.24 -0.16 0.00 -0.01 0.00 0.00 64.34 66.28 2xas n VAL 722 Cb 0.47 -3.17 -0.08 0.00 -0.91 0.00 0.00 33.84 30.14 2xas n VAL 722 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2xas h ILE 723 N 0.00 0.45 -0.26 2.52 2.04 -0.92 -0.42 117.51 120.92 2xas h ILE 723 Ca 0.53 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 66.24 2xas h ILE 723 Cb 0.92 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2xas h ILE 723 CO -0.99 0.03 0.18 0.58 0.00 0.00 0.00 178.15 177.95 2xas h VAL 724 N -0.83 0.96 0.00 1.67 2.07 0.33 0.06 116.25 120.50 2xas h VAL 724 Ca -0.07 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2xas h VAL 724 Cb 0.59 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2xas h VAL 724 CO 0.12 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2xas n GLY 725 N -1.54 -2.89 0.57 2.17 0.00 0.18 -0.80 105.19 102.88 2xas n GLY 725 Ca 0.02 0.25 0.39 0.00 0.00 0.00 0.00 46.02 46.68 2xas n GLY 725 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2xas h ARG 726 N 0.00 0.00 0.34 1.61 3.08 -0.44 -1.07 114.38 117.90 2xas h ARG 726 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2xas h ARG 726 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2xas h ARG 726 CO 0.00 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.74 2xas h LEU 728 N -0.91 0.12 0.00 0.00 3.38 0.26 -2.02 115.31 116.14 2xas h LEU 728 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2xas h LEU 728 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2xas h LEU 728 CO 0.08 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.70 2xas n ALA 729 N -2.16 0.00 -0.24 1.53 0.00 -0.68 -0.15 120.51 118.82 2xas n ALA 729 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 2xas n ALA 729 Cb 0.04 0.10 0.14 0.00 0.00 0.00 0.00 19.45 19.74 2xas n ALA 729 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2xas n ILE 730 N -0.50 -0.28 -0.07 0.00 5.41 -1.09 -0.34 119.36 122.50 2xas n ILE 730 Ca 0.00 1.51 -0.10 0.00 1.00 0.00 0.00 62.75 65.15 2xas n ILE 730 Cb 0.00 -2.14 -0.04 0.00 -0.71 0.00 0.00 39.64 36.75 2xas n ILE 730 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2xas h LEU 731 N 0.00 0.32 0.24 1.39 3.38 -0.39 -2.51 115.31 117.74 2xas h LEU 731 Ca 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2xas h LEU 731 Cb 0.66 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2xas h LEU 731 CO -0.66 0.39 -0.23 0.11 0.09 0.00 0.00 178.44 178.14 2xas h LYS 732 N 0.23 -0.48 -0.94 1.13 1.57 0.25 -0.41 116.57 117.91 2xas h LYS 732 Ca 0.08 0.03 0.32 0.00 -1.87 0.00 0.00 60.65 59.21 2xas h LYS 732 Cb 0.17 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.50 2xas h LYS 732 CO -0.01 -0.32 0.61 0.41 -0.57 0.00 0.00 179.45 179.58 2xas n GLY 733 N -1.35 -0.56 0.08 3.86 0.00 -0.22 0.42 105.19 107.42 2xas n GLY 733 Ca -0.08 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 2xas n GLY 733 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xas n ILE 734 N -3.92 1.10 0.02 -0.61 5.41 -0.71 -4.24 119.36 116.40 2xas n ILE 734 Ca 0.27 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 63.24 2xas n ILE 734 Cb 1.06 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.62 2xas n ILE 734 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2xas n PHE 735 N -2.64 0.00 0.00 1.39 3.72 0.39 -4.99 117.46 115.32 2xas n PHE 735 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2xas n PHE 735 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 2xas n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xas n GLY 736 N 0.30 1.68 0.00 1.37 0.00 0.17 -4.44 105.19 104.26 2xas n GLY 736 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2xas n GLY 736 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xas n SER 737 N -0.01 0.00 0.00 1.61 2.88 -1.26 -1.13 113.62 115.72 2xas n SER 737 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2xas n SER 737 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2xas n SER 737 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2xas n SER 738 N -0.50 0.00 0.00 -3.46 3.41 -1.26 -4.78 113.62 107.03 2xas n SER 738 Ca 0.00 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 57.73 2xas n SER 738 Cb 0.00 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.48 2xas n SER 738 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xas n ALA 739 N 0.00 2.13 -3.96 7.33 0.00 -0.28 -4.78 120.51 120.95 2xas n ALA 739 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 2xas n ALA 739 Cb 0.47 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2xas n ALA 739 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2xas s VAL 740 N -2.94 2.50 0.86 0.00 1.01 -1.25 -4.83 120.40 115.74 2xas s VAL 740 Ca 0.13 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 59.89 2xas s VAL 740 Cb 0.16 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.93 2xas s VAL 740 CO 0.43 -0.48 1.16 -2.16 0.00 0.00 0.00 175.10 174.05 2xas s PRO 741 N 1.00 1.54 0.45 2.72 0.04 -1.26 -5.01 135.00 134.48 2xas s PRO 741 Ca 0.06 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.06 2xas s PRO 741 Cb -0.20 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2xas s PRO 741 CO -0.06 -1.91 1.42 -0.65 0.04 0.00 0.00 177.00 175.83 2xas s GLN 742 N -5.42 3.67 0.22 4.56 -1.52 -1.26 -4.98 119.66 114.94 2xas s GLN 742 Ca 0.63 2.39 -0.30 0.00 -1.95 0.00 0.00 55.36 56.13 2xas s GLN 742 Cb -0.13 -2.64 -0.08 0.00 -0.22 0.00 0.00 33.01 29.94 2xas s GLN 742 CO 0.51 -0.82 1.04 -2.14 -0.25 0.00 0.00 175.29 173.64 2xas s PRO 743 N -2.46 4.69 0.22 2.91 0.02 -1.26 -4.84 135.00 134.28 2xas s PRO 743 Ca 0.61 1.66 -0.06 0.00 0.02 0.00 0.00 61.00 63.23 2xas s PRO 743 Cb -0.43 -3.26 0.20 0.00 0.02 0.00 0.00 34.50 31.03 2xas s PRO 743 CO 0.55 0.25 1.75 0.87 -0.33 0.00 0.00 177.00 180.09 2xas h LYS 744 N 4.49 1.05 -2.98 5.54 1.79 -0.79 -3.45 116.57 122.22 2xas h LYS 744 Ca -0.45 -0.24 -0.19 0.00 -2.18 0.00 0.00 60.65 57.58 2xas h LYS 744 Cb 1.21 -0.14 -0.30 0.00 -1.58 0.00 0.00 32.23 31.42 2xas h LYS 744 CO 0.69 0.93 -0.48 -1.21 -1.08 0.00 0.00 179.45 178.30 2xas s GLU 745 N -5.27 0.21 0.03 3.15 0.41 -1.20 -5.04 118.70 110.98 2xas s GLU 745 Ca -0.11 0.58 0.04 0.00 -0.41 0.00 0.00 54.97 55.07 2xas s GLU 745 Cb 0.15 -0.10 -0.02 0.00 -1.78 0.00 0.00 34.13 32.38 2xas s GLU 745 CO 0.83 -0.18 -0.13 0.95 -0.49 0.00 0.00 175.26 176.24 2xas s THR 746 N 1.45 1.02 0.00 3.63 -4.23 -1.26 -1.10 115.64 115.16 2xas s THR 746 Ca -0.08 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 2xas s THR 746 Cb -0.11 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.80 2xas s THR 746 CO -0.09 0.02 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.23 2xas s VAL 747 N -0.78 0.69 -0.17 2.29 1.01 -0.86 -4.99 120.40 117.58 2xas s VAL 747 Ca 0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2xas s VAL 747 Cb -0.07 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.75 2xas s VAL 747 CO 0.01 0.10 -0.03 -0.69 0.00 0.00 0.00 175.10 174.49 2xas s VAL 748 N -0.39 0.99 0.69 2.92 1.01 -1.26 0.34 120.40 124.70 2xas s VAL 748 Ca 0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2xas s VAL 748 Cb -0.04 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2xas s VAL 748 CO -0.00 0.04 1.13 -0.94 0.00 0.00 0.00 175.10 175.34 2xas s SER 749 N 1.67 4.76 -0.43 3.32 1.04 -0.86 -5.01 113.70 118.18 2xas s SER 749 Ca -0.00 2.08 0.07 0.00 0.48 0.00 0.00 55.95 58.58 2xas s SER 749 Cb -0.16 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.63 2xas s SER 749 CO -0.07 -1.87 0.60 0.54 0.98 0.00 0.00 173.24 173.41 2xas n ARG 750 N -2.63 0.60 -0.04 4.02 1.74 -1.26 -4.62 116.66 114.47 2xas n ARG 750 Ca 0.11 -2.71 -0.09 0.00 -0.77 0.00 0.00 57.85 54.39 2xas n ARG 750 Cb 0.52 -1.40 0.08 0.00 -1.02 0.00 0.00 32.46 30.63 2xas n ARG 750 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2xas h TRP 751 N 4.46 0.78 0.00 -1.55 4.06 -1.88 -1.18 115.95 120.64 2xas h TRP 751 Ca 0.06 -0.23 -0.04 0.00 2.06 0.00 0.00 58.89 60.75 2xas h TRP 751 Cb 0.95 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 2xas h TRP 751 CO 0.23 0.95 -0.17 -0.09 -3.56 0.00 0.00 178.44 175.80 2xas h ARG 752 N 0.54 0.00 0.10 0.49 9.65 -1.85 -1.27 114.38 122.05 2xas h ARG 752 Ca 0.05 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.64 2xas h ARG 752 Cb 0.91 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.52 2xas h ARG 752 CO 0.08 0.17 -1.19 0.00 2.80 0.00 0.00 179.97 181.83 2xas h ALA 753 N 1.83 0.08 -2.18 2.80 0.00 -1.74 -3.38 119.26 116.66 2xas h ALA 753 Ca -0.00 -0.78 -0.56 0.00 0.00 0.00 0.00 54.91 53.57 2xas h ALA 753 Cb 0.34 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2xas h ALA 753 CO 0.02 0.75 1.33 -3.47 0.00 0.00 0.00 179.25 177.89 2xas n ASP 754 N -3.75 3.78 0.28 0.00 2.03 -0.51 -4.82 116.55 113.56 2xas n ASP 754 Ca -0.12 0.63 0.19 0.00 0.52 0.00 0.00 54.79 56.02 2xas n ASP 754 Cb 0.96 -1.53 0.95 0.00 -0.72 0.00 0.00 41.12 40.78 2xas n ASP 754 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2xas h PRO 755 N 12.27 0.00 -0.63 -0.67 0.13 -1.87 0.30 132.00 141.53 2xas h PRO 755 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2xas h PRO 755 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2xas h PRO 755 CO 0.95 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.63 2xas n TRP 756 N -2.89 1.79 0.15 1.56 5.03 -1.26 -4.53 117.44 117.29 2xas n TRP 756 Ca -0.02 -0.63 0.00 0.00 3.03 0.00 0.00 57.50 59.89 2xas n TRP 756 Cb 0.13 -0.44 0.00 0.00 -1.03 0.00 0.00 31.31 29.97 2xas n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2xas n ALA 757 N 0.60 2.43 -2.93 6.99 0.00 -0.83 -4.79 120.51 121.99 2xas n ALA 757 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 2xas n ALA 757 Cb 1.06 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.54 2xas n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2xas n ARG 758 N -3.40 -4.35 0.00 0.00 5.12 0.98 -3.62 116.66 111.39 2xas n ARG 758 Ca 0.00 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 2xas n ARG 758 Cb 0.00 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 25.81 2xas n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xas n GLY 759 N -1.44 0.96 0.48 -0.13 0.00 -0.52 -4.63 105.19 99.92 2xas n GLY 759 Ca -0.11 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.80 2xas n GLY 759 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xas n SER 760 N 2.74 1.26 -3.61 1.61 3.41 -0.03 -4.53 113.62 114.46 2xas n SER 760 Ca 0.00 0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.79 2xas n SER 760 Cb 0.00 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.43 2xas n SER 760 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2xas s TYR 761 N -2.35 -0.15 0.73 7.33 -0.85 -1.26 -5.00 117.35 115.80 2xas s TYR 761 Ca -0.22 0.03 -0.09 0.00 -0.52 0.00 0.00 57.07 56.27 2xas s TYR 761 Cb 0.08 0.55 0.06 0.00 0.38 0.00 0.00 41.96 43.02 2xas s TYR 761 CO 0.29 -0.39 1.07 -1.54 -1.52 0.00 0.00 175.55 173.45 2xas s SER 762 N -2.58 4.87 0.31 -0.18 1.04 -1.26 -0.96 113.70 114.94 2xas s SER 762 Ca 0.10 0.67 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 2xas s SER 762 Cb 0.01 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2xas s SER 762 CO -0.04 -1.61 0.47 -0.72 0.98 0.00 0.00 173.24 172.31 2xas s TYR 763 N -3.34 0.85 -0.75 5.02 -0.85 0.19 -4.61 117.35 113.87 2xas s TYR 763 Ca 0.60 -1.13 -0.15 0.00 -0.52 0.00 0.00 57.07 55.87 2xas s TYR 763 Cb -0.11 -0.00 0.19 0.00 0.38 0.00 0.00 41.96 42.42 2xas s TYR 763 CO 0.47 -1.09 0.70 0.08 -1.52 0.00 0.00 175.55 174.19 2xas s VAL 764 N -3.33 5.48 0.62 -3.49 1.01 -1.26 -2.76 120.40 116.66 2xas s VAL 764 Ca 0.28 -2.17 -0.17 0.00 0.00 0.00 0.00 61.98 59.93 2xas s VAL 764 Cb -0.00 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2xas s VAL 764 CO 0.16 -0.99 1.12 0.00 0.00 0.00 0.00 175.10 175.39 2xas s ALA 765 N 0.64 2.55 0.21 5.51 0.00 -1.26 0.27 121.76 129.67 2xas s ALA 765 Ca 0.14 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 2xas s ALA 765 Cb -0.16 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 2xas s ALA 765 CO -0.05 -1.11 1.68 0.00 0.00 0.00 0.00 175.76 176.28 2xas s ALA 766 N -2.14 3.89 0.00 0.00 0.00 0.11 -1.52 121.76 122.10 2xas s ALA 766 Ca 0.69 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2xas s ALA 766 Cb -0.22 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2xas s ALA 766 CO 0.36 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2xas n GLY 767 N 3.74 0.81 2.41 0.00 0.00 -1.26 -4.89 105.19 106.00 2xas n GLY 767 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2xas n GLY 767 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2xas n SER 768 N 0.00 2.38 -2.23 1.61 2.88 -0.57 -4.99 113.62 112.69 2xas n SER 768 Ca 0.00 -2.29 -0.07 0.00 -1.33 0.00 0.00 58.87 55.18 2xas n SER 768 Cb 0.00 0.06 0.01 0.00 -0.75 0.00 0.00 64.21 63.53 2xas n SER 768 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2xas n SER 769 N -1.67 -1.43 0.27 -3.46 3.41 -1.26 -4.91 113.62 104.56 2xas n SER 769 Ca -0.05 -2.11 0.17 0.00 -0.26 0.00 0.00 58.87 56.62 2xas n SER 769 Cb 0.41 2.42 0.71 0.00 -0.26 0.00 0.00 64.21 67.49 2xas n SER 769 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2xas h GLY 770 N 1.33 0.00 1.03 5.00 0.00 -1.95 -2.83 103.07 105.66 2xas h GLY 770 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2xas h GLY 770 CO 0.28 0.00 0.22 -0.57 0.00 0.00 0.00 176.54 176.46 2xas h ASN 771 N 0.00 0.97 -1.06 0.19 -0.73 -1.97 -1.94 115.58 111.04 2xas h ASN 771 Ca 0.00 -0.20 0.28 0.00 1.87 0.00 0.00 56.30 58.25 2xas h ASN 771 Cb 0.45 -0.25 -0.09 0.00 0.27 0.00 0.00 38.32 38.70 2xas h ASN 771 CO 0.00 0.92 0.70 0.44 -0.37 0.00 0.00 177.43 179.11 2xas h ASP 772 N 0.97 0.37 0.07 1.15 3.32 -1.90 0.61 116.42 121.00 2xas h ASP 772 Ca 0.22 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2xas h ASP 772 Cb 0.29 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2xas h ASP 772 CO -0.01 0.06 -0.04 1.88 -1.72 0.00 0.00 179.24 179.42 2xas h TYR 773 N 0.32 0.00 0.20 4.55 0.05 -1.50 0.15 116.97 120.73 2xas h TYR 773 Ca 0.60 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 59.03 2xas h TYR 773 Cb 1.65 0.00 0.02 0.00 1.01 0.00 0.00 36.73 39.41 2xas h TYR 773 CO -0.00 0.04 -1.67 -0.44 -1.05 0.00 0.00 178.16 175.04 2xas h ASP 774 N 0.00 0.67 -0.41 3.88 3.32 0.14 -3.05 116.42 120.97 2xas h ASP 774 Ca -0.00 -0.93 0.09 0.00 0.02 0.00 0.00 57.03 56.20 2xas h ASP 774 Cb 0.08 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.32 2xas h ASP 774 CO 0.00 1.76 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.99 2xas h LEU 775 N 0.09 -0.77 -2.00 1.55 3.38 -1.12 -1.69 115.31 114.75 2xas h LEU 775 Ca -0.32 0.17 0.27 0.00 0.09 0.00 0.00 57.88 58.08 2xas h LEU 775 Cb 2.10 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 43.21 2xas h LEU 775 CO 0.20 -0.25 0.68 0.24 0.09 0.00 0.00 178.44 179.39 2xas h MET 776 N -0.15 0.00 0.00 1.13 2.86 -0.62 -2.08 114.93 116.07 2xas h MET 776 Ca 0.20 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2xas h MET 776 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2xas h MET 776 CO -0.50 0.00 -1.15 0.00 1.06 0.00 0.00 176.91 176.31 2xas h ALA 777 N 1.53 0.62 -1.79 6.32 0.00 -1.22 -3.44 119.26 121.28 2xas h ALA 777 Ca 0.44 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 2xas h ALA 777 Cb 1.79 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.74 2xas h ALA 777 CO -0.00 0.56 1.05 1.04 0.00 0.00 0.00 179.25 181.89 2xas n GLN 778 N -2.85 1.73 -1.48 0.00 1.13 -0.78 -4.31 117.38 110.82 2xas n GLN 778 Ca -0.05 0.63 -0.30 0.00 -1.94 0.00 0.00 57.00 55.34 2xas n GLN 778 Cb 0.72 -2.44 0.10 0.00 0.11 0.00 0.00 30.24 28.74 2xas n GLN 778 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2xas s PRO 779 N 4.06 1.91 -0.15 -1.09 0.04 -1.26 -4.82 135.00 133.68 2xas s PRO 779 Ca 0.96 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2xas s PRO 779 Cb -0.84 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2xas s PRO 779 CO 0.57 -1.75 -0.00 0.42 0.04 0.00 0.00 177.00 176.27 2xas s ILE 780 N -3.11 4.22 -0.24 0.56 -1.09 0.15 -4.98 121.20 116.71 2xas s ILE 780 Ca 0.61 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.74 2xas s ILE 780 Cb -0.15 -2.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2xas s ILE 780 CO 0.55 0.51 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.86 2xas s THR 781 N 0.09 3.45 1.06 2.92 2.01 -1.26 -0.78 115.64 123.12 2xas s THR 781 Ca 0.02 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 2xas s THR 781 Cb -0.13 -2.64 0.22 0.00 0.01 0.00 0.00 72.50 69.96 2xas s THR 781 CO 0.02 0.31 1.07 -2.16 -0.69 0.00 0.00 174.62 173.17 2xas s PRO 782 N 1.46 -0.08 0.82 4.92 0.04 -1.26 -4.99 135.00 135.91 2xas s PRO 782 Ca 0.04 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 2xas s PRO 782 Cb -0.15 -1.66 0.20 0.00 0.04 0.00 0.00 34.50 32.94 2xas s PRO 782 CO -0.02 -3.15 0.72 0.41 0.04 0.00 0.00 177.00 175.00 2xas n GLY 783 N -0.09 -2.70 3.86 0.56 0.00 -1.26 -4.74 105.19 100.82 2xas n GLY 783 Ca 0.05 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 2xas n GLY 783 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xas s PRO 784 N -4.64 3.91 0.00 1.61 0.05 -1.26 -4.11 135.00 130.56 2xas s PRO 784 Ca 0.47 0.51 0.00 0.00 0.05 0.00 0.00 61.00 62.03 2xas s PRO 784 Cb -0.05 -2.50 0.00 0.00 0.05 0.00 0.00 34.50 32.00 2xas s PRO 784 CO 0.36 0.19 0.00 0.43 0.05 0.00 0.00 177.00 178.03 2xas n SER 785 N -0.40 0.00 -4.60 6.66 7.64 -1.26 -4.61 113.62 117.05 2xas n SER 785 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 2xas n SER 785 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2xas n SER 785 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2xas s ILE 786 N 0.00 3.41 0.56 0.44 1.09 -1.26 -4.97 121.20 120.47 2xas s ILE 786 Ca 0.00 0.42 -0.21 0.00 -1.10 0.00 0.00 60.65 59.76 2xas s ILE 786 Cb 0.00 -3.54 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 2xas s ILE 786 CO 0.00 -0.34 1.25 -0.81 -0.10 0.00 0.00 174.94 174.94 2xas n PRO 787 N 8.44 1.43 -1.02 2.79 -0.04 -1.26 -1.99 135.00 143.35 2xas n PRO 787 Ca 0.24 0.53 -0.01 0.00 -0.04 0.00 0.00 63.50 64.23 2xas n PRO 787 Cb 0.46 -2.46 -0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2xas n PRO 787 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2xas n GLY 788 N 0.91 0.45 3.92 0.55 0.00 -1.26 -5.06 105.19 104.71 2xas n GLY 788 Ca 0.12 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2xas n GLY 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xas s ALA 789 N -1.88 3.41 0.57 4.61 0.00 -0.84 -5.05 121.76 122.59 2xas s ALA 789 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 2xas s ALA 789 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2xas s ALA 789 CO 0.00 -0.60 1.23 -1.25 0.00 0.00 0.00 175.76 175.14 2xas s PRO 790 N -4.84 3.09 -0.27 0.00 0.04 -1.26 -4.93 135.00 126.83 2xas s PRO 790 Ca 0.51 1.89 -0.39 0.00 0.04 0.00 0.00 61.00 63.04 2xas s PRO 790 Cb -0.10 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 2xas s PRO 790 CO 0.44 -1.13 1.79 0.94 0.04 0.00 0.00 177.00 179.08 2xas n GLN 791 N -1.37 1.26 -2.78 4.56 -0.06 -1.26 -4.94 117.38 112.79 2xas n GLN 791 Ca 0.12 0.46 -0.34 0.00 -2.00 0.00 0.00 57.00 55.25 2xas n GLN 791 Cb 0.49 -2.18 -0.06 0.00 -4.06 0.00 0.00 30.24 24.42 2xas n GLN 791 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2xas s PRO 792 N 3.78 4.22 0.00 3.69 0.04 -1.26 -5.04 135.00 140.43 2xas s PRO 792 Ca 0.99 1.18 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2xas s PRO 792 Cb -1.02 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2xas s PRO 792 CO 0.64 -0.04 0.00 -0.89 0.04 0.00 0.00 177.00 176.74 2xas n ILE 793 N -0.52 0.00 -3.04 0.56 -0.00 -1.26 -4.87 119.36 110.23 2xas n ILE 793 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.45 2xas n ILE 793 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.11 2xas n ILE 793 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 2xas s PRO 794 N 0.00 4.37 -0.06 0.38 0.02 -1.26 -4.49 135.00 133.96 2xas s PRO 794 Ca 0.00 0.99 0.03 0.00 0.02 0.00 0.00 61.00 62.04 2xas s PRO 794 Cb 0.00 -2.97 -0.06 0.00 0.02 0.00 0.00 34.50 31.49 2xas s PRO 794 CO 0.00 0.43 -0.01 0.54 -0.33 0.00 0.00 177.00 177.63 2xas n ARG 795 N 0.94 2.10 -4.01 5.54 5.12 0.04 -4.97 116.66 121.41 2xas n ARG 795 Ca -0.03 0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.56 2xas n ARG 795 Cb 0.50 -1.13 -0.15 0.00 -1.16 0.00 0.00 32.46 30.52 2xas n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2xas s LEU 796 N -4.74 2.60 0.12 0.55 2.96 -1.00 -1.40 118.68 117.77 2xas s LEU 796 Ca -0.05 -0.60 0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2xas s LEU 796 Cb 0.02 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2xas s LEU 796 CO 0.19 -0.03 -0.27 -0.36 -1.32 0.00 0.00 176.35 174.56 2xas s PHE 797 N 1.36 2.29 -0.08 5.38 0.40 0.15 0.31 117.98 127.80 2xas s PHE 797 Ca 0.04 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2xas s PHE 797 Cb -0.14 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.13 2xas s PHE 797 CO -0.08 0.31 -0.21 -0.06 0.70 0.00 0.00 175.22 175.88 2xas s PHE 798 N -1.03 2.18 0.31 0.36 0.40 -1.26 0.11 117.98 119.04 2xas s PHE 798 Ca 0.13 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 2xas s PHE 798 Cb -0.10 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2xas s PHE 798 CO 0.05 -0.32 0.16 0.00 0.70 0.00 0.00 175.22 175.81 2xas s ALA 799 N 0.29 2.02 0.00 5.36 0.00 -1.03 -4.79 121.76 123.61 2xas s ALA 799 Ca -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.09 2xas s ALA 799 Cb -0.16 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.08 2xas s ALA 799 CO 0.06 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2xas n GLY 800 N -0.60 3.75 0.18 0.00 0.00 -1.26 -4.29 105.19 102.96 2xas n GLY 800 Ca 0.01 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.63 2xas n GLY 800 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xas n GLU 801 N -0.98 -0.01 -0.02 1.61 0.00 -1.26 0.13 120.64 120.11 2xas n GLU 801 Ca 0.00 0.48 0.07 0.00 0.00 0.00 0.00 57.16 57.71 2xas n GLU 801 Cb 0.00 -0.95 0.37 0.00 0.00 0.00 0.00 31.44 30.86 2xas n GLU 801 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2xas n HIS 802 N -3.44 0.04 0.20 4.31 1.44 -1.26 -3.15 115.22 113.36 2xas n HIS 802 Ca 0.15 -0.02 0.02 0.00 -2.01 0.00 0.00 57.72 55.87 2xas n HIS 802 Cb 0.60 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.73 2xas n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2xas n THR 803 N -0.55 0.00 -3.96 0.61 -2.24 0.35 -4.68 114.28 103.82 2xas n THR 803 Ca 0.10 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 2xas n THR 803 Cb 0.08 1.10 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 2xas n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2xas s ILE 804 N -0.39 2.55 0.37 2.28 2.07 -1.26 -4.45 121.20 122.38 2xas s ILE 804 Ca 0.05 -2.75 0.18 0.00 -1.41 0.00 0.00 60.65 56.72 2xas s ILE 804 Cb 0.04 -2.81 0.37 0.00 0.13 0.00 0.00 42.46 40.19 2xas s ILE 804 CO 0.06 -0.70 1.69 -0.09 -1.91 0.00 0.00 174.94 173.99 2xas h ARG 805 N 7.17 0.32 -0.02 3.50 2.43 -1.87 -1.80 114.38 124.11 2xas h ARG 805 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2xas h ARG 805 Cb 0.97 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2xas h ARG 805 CO 0.61 0.21 -0.10 0.09 -1.51 0.00 0.00 179.97 179.28 2xas n ASN 806 N -4.85 2.43 -2.78 -3.80 3.02 -1.26 -4.38 115.26 103.64 2xas n ASN 806 Ca 0.31 -1.76 -0.02 0.00 -0.03 0.00 0.00 54.58 53.08 2xas n ASN 806 Cb 1.01 0.09 0.07 0.00 -0.61 0.00 0.00 39.78 40.34 2xas n ASN 806 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2xas n TYR 807 N 0.78 0.36 -0.98 3.10 4.01 -0.71 -4.87 117.16 118.84 2xas n TYR 807 Ca 0.14 -2.11 -0.35 0.00 -0.16 0.00 0.00 57.90 55.42 2xas n TYR 807 Cb 0.52 0.22 0.09 0.00 -0.31 0.00 0.00 39.34 39.86 2xas n TYR 807 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2xas n PRO 808 N -0.75 -0.05 -4.27 -0.72 -0.02 -0.98 -3.57 135.00 124.63 2xas n PRO 808 Ca 0.01 0.02 -0.36 0.00 -2.02 0.00 0.00 63.50 61.16 2xas n PRO 808 Cb 0.82 -1.69 -0.05 0.00 -0.02 0.00 0.00 33.50 32.56 2xas n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xas n ALA 809 N -2.99 -1.43 -2.34 3.55 0.00 -1.19 -4.92 120.51 111.19 2xas n ALA 809 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 2xas n ALA 809 Cb 0.53 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.18 2xas n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2xas s THR 810 N -3.49 0.05 0.02 0.00 -4.23 -1.23 -4.92 115.64 101.83 2xas s THR 810 Ca 0.58 -1.83 -0.25 0.00 -1.18 0.00 0.00 61.69 59.01 2xas s THR 810 Cb -0.32 -2.21 -0.17 0.00 1.34 0.00 0.00 72.50 71.13 2xas s THR 810 CO 0.95 -0.22 1.37 0.58 -0.54 0.00 0.00 174.62 176.76 2xas h VAL 811 N 2.67 0.96 0.00 2.29 2.07 -1.93 -1.95 116.25 120.37 2xas h VAL 811 Ca -0.34 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2xas h VAL 811 Cb 1.23 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2xas h VAL 811 CO 0.53 0.14 -0.02 1.12 0.02 0.00 0.00 177.57 179.36 2xas h HIS 812 N -0.52 0.00 -0.17 1.57 -0.00 -1.96 -0.44 115.15 113.63 2xas h HIS 812 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 2xas h HIS 812 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2xas h HIS 812 CO 0.02 0.02 -0.03 0.78 -0.00 0.00 0.00 177.93 178.72 2xas h GLY 813 N 0.05 0.34 0.77 6.13 0.00 -1.68 -0.63 103.07 108.05 2xas h GLY 813 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2xas h GLY 813 CO 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 176.54 176.41 2xas h ALA 814 N 0.73 -1.27 -0.90 3.60 0.00 -0.52 -1.79 119.26 119.11 2xas h ALA 814 Ca 0.04 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.91 2xas h ALA 814 Cb 0.45 0.42 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 2xas h ALA 814 CO 0.01 -1.20 -0.22 -0.11 0.00 0.00 0.00 179.25 177.73 2xas n LEU 815 N -4.85 -0.32 -0.30 0.00 -0.00 -0.26 0.14 117.00 111.40 2xas n LEU 815 Ca -0.13 1.55 -0.05 0.00 -0.00 0.00 0.00 56.01 57.38 2xas n LEU 815 Cb 0.41 -0.47 0.07 0.00 -0.00 0.00 0.00 43.42 43.44 2xas n LEU 815 CO 0.31 -1.49 1.11 -0.07 -0.00 0.00 0.00 177.39 177.26 2xas h LEU 816 N 0.00 1.08 -1.23 -1.96 3.38 -0.90 -2.40 115.31 113.28 2xas h LEU 816 Ca 0.43 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 2xas h LEU 816 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2xas h LEU 816 CO -0.93 0.90 -0.20 0.77 0.09 0.00 0.00 178.44 179.08 2xas h SER 817 N 1.17 0.28 0.63 -0.43 4.64 0.21 -0.48 113.55 119.56 2xas h SER 817 Ca 0.29 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2xas h SER 817 Cb 0.11 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2xas h SER 817 CO -0.04 0.49 -0.30 1.23 -0.87 0.00 0.00 176.83 177.34 2xas h GLY 818 N 0.90 -0.88 -0.10 -0.77 0.00 -0.79 -1.64 103.07 99.77 2xas h GLY 818 Ca 0.05 0.33 0.19 0.00 0.00 0.00 0.00 47.33 47.89 2xas h GLY 818 CO 0.03 -0.32 0.30 1.41 0.00 0.00 0.00 176.54 177.96 2xas h LEU 819 N -0.91 0.21 0.62 3.11 3.38 -0.90 -1.46 115.31 119.36 2xas h LEU 819 Ca -0.09 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2xas h LEU 819 Cb 0.67 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2xas h LEU 819 CO 0.14 0.00 -0.48 -0.09 0.09 0.00 0.00 178.44 178.11 2xas h ARG 820 N 0.36 -1.02 -0.78 1.13 2.43 -0.84 -1.62 114.38 114.04 2xas h ARG 820 Ca 0.49 0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.69 2xas h ARG 820 Cb 0.86 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 2xas h ARG 820 CO -0.51 -0.68 0.36 0.93 -1.51 0.00 0.00 179.97 178.56 2xas h GLU 821 N -1.06 1.13 -0.07 0.20 4.39 -0.74 -1.54 114.58 116.90 2xas h GLU 821 Ca -0.08 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.48 2xas h GLU 821 Cb 0.88 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2xas h GLU 821 CO 0.02 0.88 -0.17 0.00 -1.16 0.00 0.00 179.01 178.58 2xas h ALA 822 N 1.27 -0.15 -0.72 3.43 0.00 -1.06 0.24 119.26 122.27 2xas h ALA 822 Ca 0.27 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.36 2xas h ALA 822 Cb 0.14 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 2xas h ALA 822 CO -0.03 -0.64 0.12 0.78 0.00 0.00 0.00 179.25 179.48 2xas h GLY 823 N -0.25 0.94 1.15 0.00 0.00 -0.51 0.29 103.07 104.69 2xas h GLY 823 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 2xas h GLY 823 CO -0.21 -0.22 -0.38 -0.09 0.00 0.00 0.00 176.54 175.64 2xas h ARG 824 N 0.22 0.93 -0.04 4.80 2.43 0.02 -1.63 114.38 121.09 2xas h ARG 824 Ca 0.40 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2xas h ARG 824 Cb 0.69 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2xas h ARG 824 CO -0.54 1.14 -0.01 0.82 -1.51 0.00 0.00 179.97 179.88 2xas h ILE 825 N 0.76 1.28 0.15 1.20 2.04 -0.06 -2.50 117.51 120.38 2xas h ILE 825 Ca 0.06 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2xas h ILE 825 Cb 0.98 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 2xas h ILE 825 CO 0.09 0.23 -0.48 0.00 0.00 0.00 0.00 178.15 178.00 2xas h ALA 826 N 0.67 -0.90 -0.94 1.87 0.00 -0.84 0.06 119.26 119.18 2xas h ALA 826 Ca 0.01 -0.10 0.39 0.00 0.00 0.00 0.00 54.91 55.21 2xas h ALA 826 Cb 0.38 0.81 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 2xas h ALA 826 CO 0.00 -1.07 0.49 -0.25 0.00 0.00 0.00 179.25 178.42 2xas n ASP 827 N -5.49 0.32 0.01 0.00 8.00 -0.62 -0.15 116.55 118.61 2xas n ASP 827 Ca -0.08 1.56 -0.18 0.00 0.71 0.00 0.00 54.79 56.80 2xas n ASP 827 Cb 0.41 -0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 2xas n ASP 827 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2xas h GLN 828 N 0.00 0.65 0.00 -1.24 5.75 -0.57 -3.04 115.11 116.66 2xas h GLN 828 Ca 0.79 -0.62 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2xas h GLN 828 Cb 2.09 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.80 2xas h GLN 828 CO -0.73 1.23 -0.84 1.19 -2.65 0.00 0.00 178.83 177.03 2xas n PHE 829 N -4.00 0.00 0.19 3.99 3.72 -0.34 -4.36 117.46 116.66 2xas n PHE 829 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.33 2xas n PHE 829 Cb 0.77 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 39.23 2xas n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2xas n LEU 830 N -1.47 1.23 -1.08 4.37 4.77 0.79 -4.89 117.00 120.72 2xas n LEU 830 Ca 0.00 -0.94 0.11 0.00 -0.03 0.00 0.00 56.01 55.15 2xas n LEU 830 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2xas n LEU 830 CO 0.18 0.27 -0.46 0.61 -1.33 0.00 0.00 177.39 176.65 2xas n GLY 831 N 0.35 -3.29 3.16 -0.72 0.00 -1.15 -4.84 105.19 98.71 2xas n GLY 831 Ca 0.02 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 2xas n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xas s ALA 832 N -4.14 3.43 0.10 4.61 0.00 -1.26 -4.66 121.76 119.84 2xas s ALA 832 Ca 0.00 -2.78 0.34 0.00 0.00 0.00 0.00 51.96 49.51 2xas s ALA 832 Cb 0.00 -2.72 1.40 0.00 0.00 0.00 0.00 23.12 21.80 2xas s ALA 832 CO 0.00 -1.96 1.99 0.52 0.00 0.00 0.00 175.76 176.31 2xas h MET 833 N 7.92 0.00 -0.00 0.00 2.86 -1.98 -3.23 114.93 120.50 2xas h MET 833 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2xas h MET 833 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2xas h MET 833 CO 0.77 0.00 -0.12 2.48 1.06 0.00 0.00 176.91 181.10 2xas n TYR 834 N -3.05 0.00 0.89 -0.22 4.11 -1.26 -3.78 117.16 113.86 2xas n TYR 834 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.00 2xas n TYR 834 Cb 0.29 -0.26 0.29 0.00 -0.00 0.00 0.00 39.34 39.65 2xas n TYR 834 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2xas n THR 835 N -1.17 0.37 1.55 -3.48 -2.24 -1.22 -4.88 114.28 103.21 2xas n THR 835 Ca 0.12 -0.48 0.14 0.00 -2.27 0.00 0.00 64.05 61.56 2xas n THR 835 Cb 0.29 0.44 0.57 0.00 -2.10 0.00 0.00 70.33 69.52 2xas n THR 835 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68