#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abu h GLY 173 N 0.00 -0.85 2.00 5.00 0.00 -2.00 1.90 103.07 109.11 3abu h GLY 173 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3abu h GLY 173 CO 0.00 -0.31 -0.08 -0.39 0.00 0.00 0.00 176.54 175.76 3abu h VAL 174 N -0.85 0.66 -0.21 4.60 -1.51 -1.99 0.52 116.25 117.47 3abu h VAL 174 Ca -0.08 -0.33 -0.12 0.00 -1.23 0.00 0.00 66.70 64.94 3abu h VAL 174 Cb 0.63 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 3abu h VAL 174 CO 0.14 0.08 -0.33 -0.08 -1.23 0.00 0.00 177.57 176.14 3abu h GLU 175 N 0.00 0.59 0.19 5.19 4.81 -1.81 -2.94 114.58 120.61 3abu h GLU 175 Ca -0.00 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3abu h GLU 175 Cb 0.19 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3abu h GLU 175 CO 0.01 0.97 -0.10 0.78 -0.73 0.00 0.00 179.01 179.94 3abu h GLY 176 N 0.27 -0.28 -0.15 1.92 0.00 0.50 -2.66 103.07 102.68 3abu h GLY 176 Ca 0.02 0.11 0.19 0.00 0.00 0.00 0.00 47.33 47.65 3abu h GLY 176 CO 0.08 -0.11 0.30 0.00 0.00 0.00 0.00 176.54 176.81 3abu h ALA 177 N 0.54 1.22 -0.30 3.60 0.00 -1.10 0.26 119.26 123.48 3abu h ALA 177 Ca -0.02 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3abu h ALA 177 Cb 0.21 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3abu h ALA 177 CO 0.04 -0.33 -0.15 0.00 0.00 0.00 0.00 179.25 178.80 3abu h ALA 178 N 1.67 1.18 -0.08 0.00 0.00 -1.32 -2.34 119.26 118.38 3abu h ALA 178 Ca 0.50 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3abu h ALA 178 Cb 0.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3abu h ALA 178 CO -0.52 0.52 -0.15 0.35 0.00 0.00 0.00 179.25 179.45 3abu h PHE 179 N 0.47 0.29 0.00 0.00 3.57 -0.45 -0.06 116.94 120.77 3abu h PHE 179 Ca 0.08 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3abu h PHE 179 Cb 0.55 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3abu h PHE 179 CO 0.02 0.74 0.00 0.94 -2.23 0.00 0.00 178.31 177.78 3abu n GLN 180 N -4.60 0.03 -0.44 1.11 -0.06 0.62 -0.96 117.38 113.08 3abu n GLN 180 Ca -0.08 0.50 0.08 0.00 -2.00 0.00 0.00 57.00 55.50 3abu n GLN 180 Cb 0.38 -1.59 0.27 0.00 -4.06 0.00 0.00 30.24 25.24 3abu n GLN 180 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3abu n SER 181 N -1.66 4.01 -3.14 1.69 7.64 -0.89 -4.02 113.62 117.25 3abu n SER 181 Ca 0.00 -2.46 -0.23 0.00 1.01 0.00 0.00 58.87 57.20 3abu n SER 181 Cb 0.03 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.79 3abu n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3abu n ARG 182 N 0.54 -4.65 -4.21 1.43 1.74 -0.13 -4.99 116.66 106.40 3abu n ARG 182 Ca 0.21 0.80 -0.20 0.00 -0.77 0.00 0.00 57.85 57.88 3abu n ARG 182 Cb 0.75 -5.63 -0.12 0.00 -1.02 0.00 0.00 32.46 26.44 3abu n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3abu s LEU 183 N -6.67 2.29 -0.31 0.55 1.43 -0.07 -5.04 118.68 110.86 3abu s LEU 183 Ca 0.34 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 3abu s LEU 183 Cb -0.16 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.44 3abu s LEU 183 CO 0.42 -0.04 0.90 -2.16 0.23 0.00 0.00 176.35 175.71 3abu s PRO 184 N -1.81 3.99 0.56 1.29 0.04 -1.26 -3.48 135.00 134.32 3abu s PRO 184 Ca 0.01 0.76 0.24 0.00 0.04 0.00 0.00 61.00 62.05 3abu s PRO 184 Cb -0.10 -3.74 1.50 0.00 0.04 0.00 0.00 34.50 32.20 3abu s PRO 184 CO 0.03 -0.77 2.10 1.12 0.04 0.00 0.00 177.00 179.52 3abu h HIS 185 N 8.13 0.00 -0.39 0.56 2.07 -1.86 -3.04 115.15 120.62 3abu h HIS 185 Ca -0.23 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.26 3abu h HIS 185 Cb 1.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.04 3abu h HIS 185 CO 0.80 0.00 0.02 -0.40 -3.07 0.00 0.00 177.93 175.28 3abu n ASP 186 N -4.16 4.35 -3.76 3.10 5.75 -1.26 -4.87 116.55 115.71 3abu n ASP 186 Ca 0.02 -3.06 -0.06 0.00 -0.01 0.00 0.00 54.79 51.68 3abu n ASP 186 Cb 0.31 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.78 3abu n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abu s ARG 187 N -2.86 1.39 0.03 0.11 1.70 -1.15 -5.09 118.95 113.07 3abu s ARG 187 Ca 0.47 -0.74 -0.04 0.00 -0.47 0.00 0.00 55.73 54.94 3abu s ARG 187 Cb 0.37 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 35.20 3abu s ARG 187 CO 0.10 -0.63 0.25 -1.64 -1.08 0.00 0.00 175.30 172.30 3abu s MET 188 N -3.53 3.53 0.60 3.89 -1.94 -1.26 -4.68 119.30 115.92 3abu s MET 188 Ca 0.11 -0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 53.81 3abu s MET 188 Cb -0.03 -3.05 -0.02 0.00 2.01 0.00 0.00 34.83 33.74 3abu s MET 188 CO 0.02 0.63 0.97 0.95 -0.01 0.00 0.00 175.02 177.58 3abu s THR 189 N -1.38 4.30 0.53 2.05 -4.23 -1.26 -4.87 115.64 110.79 3abu s THR 189 Ca 0.30 0.49 0.23 0.00 -1.18 0.00 0.00 61.69 61.53 3abu s THR 189 Cb -0.13 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.36 3abu s THR 189 CO 0.19 -0.85 2.03 0.77 -0.54 0.00 0.00 174.62 176.22 3abu h SER 190 N -0.25 0.01 0.17 3.99 4.64 -1.98 -0.47 113.55 119.66 3abu h SER 190 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3abu h SER 190 Cb 1.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3abu h SER 190 CO 0.62 0.01 -0.08 1.56 -0.87 0.00 0.00 176.83 178.07 3abu h GLN 191 N 0.01 -0.22 -0.88 4.77 4.20 -1.99 -1.29 115.11 119.72 3abu h GLN 191 Ca 0.19 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.13 3abu h GLN 191 Cb 0.76 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 3abu h GLN 191 CO -0.00 -0.15 0.59 0.93 -0.67 0.00 0.00 178.83 179.53 3abu h GLU 192 N -0.25 0.30 -0.63 1.46 5.08 -1.88 0.74 114.58 119.40 3abu h GLU 192 Ca -0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3abu h GLU 192 Cb 0.17 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3abu h GLU 192 CO 0.04 0.20 0.23 0.00 -1.00 0.00 0.00 179.01 178.48 3abu h ALA 193 N 1.61 1.23 -0.08 3.43 0.00 -1.01 0.47 119.26 124.91 3abu h ALA 193 Ca 0.45 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3abu h ALA 193 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3abu h ALA 193 CO -0.14 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.40 3abu h ALA 194 N 1.35 0.14 0.00 0.00 0.00 0.16 -2.49 119.26 118.43 3abu h ALA 194 Ca 0.21 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3abu h ALA 194 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3abu h ALA 194 CO -0.02 0.15 -0.30 0.00 0.00 0.00 0.00 179.25 179.09 3abu n PHE 196 N -3.34 2.75 0.29 0.00 3.01 0.16 -4.88 117.46 115.45 3abu n PHE 196 Ca 0.01 -3.20 0.19 0.00 1.01 0.00 0.00 57.45 55.46 3abu n PHE 196 Cb 0.53 -0.23 1.00 0.00 -0.01 0.00 0.00 39.48 40.77 3abu n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3abu h PRO 197 N 2.76 0.00 0.00 -1.08 0.13 -1.53 0.57 132.00 132.85 3abu h PRO 197 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 3abu h PRO 197 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3abu h PRO 197 CO 0.74 0.00 -0.20 0.38 -0.23 0.00 0.00 178.00 178.69 3abu h ASP 198 N 0.00 0.00 0.01 1.44 2.03 -1.87 -2.89 116.42 115.13 3abu h ASP 198 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 3abu h ASP 198 Cb 0.09 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.54 3abu h ASP 198 CO 0.00 0.20 -1.94 -0.38 -1.03 0.00 0.00 179.24 176.09 3abu n ILE 199 N -3.22 1.55 -0.13 4.15 5.41 0.14 -4.01 119.36 123.24 3abu n ILE 199 Ca 0.02 -0.26 -0.04 0.00 1.00 0.00 0.00 62.75 63.47 3abu n ILE 199 Cb 0.51 -1.91 0.04 0.00 -0.71 0.00 0.00 39.64 37.57 3abu n ILE 199 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3abu h ILE 200 N -0.86 0.71 -2.64 1.39 -0.00 -1.52 -2.44 117.51 112.15 3abu h ILE 200 Ca -0.52 -0.05 -0.80 0.00 -0.00 0.00 0.00 64.86 63.48 3abu h ILE 200 Cb 1.53 0.54 -0.28 0.00 -0.00 0.00 0.00 36.82 38.61 3abu h ILE 200 CO -0.28 0.03 0.84 -1.54 -0.00 0.00 0.00 178.15 177.20 3abu n SER 201 N -5.16 6.72 -1.78 2.19 3.41 -1.09 -4.92 113.62 112.98 3abu n SER 201 Ca 0.04 -3.52 -0.03 0.00 -0.26 0.00 0.00 58.87 55.10 3abu n SER 201 Cb 0.22 -1.21 0.01 0.00 -0.26 0.00 0.00 64.21 62.96 3abu n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abu n GLY 202 N 0.77 1.37 3.58 5.00 0.00 -0.92 -4.82 105.19 110.16 3abu n GLY 202 Ca 0.34 -1.07 -0.61 0.00 0.00 0.00 0.00 46.02 44.68 3abu n GLY 202 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3abu n PRO 203 N -0.24 0.48 0.27 1.61 -0.02 -1.26 -4.75 135.00 131.08 3abu n PRO 203 Ca -0.02 0.16 0.18 0.00 -2.02 0.00 0.00 63.50 61.80 3abu n PRO 203 Cb 0.23 -1.80 0.91 0.00 -0.02 0.00 0.00 33.50 32.82 3abu n PRO 203 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3abu h GLN 204 N 7.60 0.00 0.00 -0.52 -0.00 -1.92 0.50 115.11 120.77 3abu h GLN 204 Ca -0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.26 3abu h GLN 204 Cb 1.36 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.83 3abu h GLN 204 CO 1.01 0.00 -0.25 0.37 -0.00 0.00 0.00 178.83 179.96 3abu h GLN 205 N 0.00 0.00 0.04 0.06 5.75 -1.97 -1.87 115.11 117.12 3abu h GLN 205 Ca 0.05 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.29 3abu h GLN 205 Cb 0.48 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.05 3abu h GLN 205 CO -0.00 0.25 -1.03 1.15 -2.65 0.00 0.00 178.83 176.55 3abu h THR 206 N 0.00 1.31 -0.80 2.39 2.02 -0.34 -3.07 112.91 114.42 3abu h THR 206 Ca -0.00 -2.29 0.09 0.00 0.77 0.00 0.00 66.41 64.98 3abu h THR 206 Cb 0.46 2.52 -0.07 0.00 -1.74 0.00 0.00 68.15 69.32 3abu h THR 206 CO 0.03 0.70 0.45 1.56 0.37 0.00 0.00 175.52 178.63 3abu h GLN 207 N 0.27 0.74 -0.54 6.66 4.20 -1.26 0.22 115.11 125.40 3abu h GLN 207 Ca -0.14 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.61 3abu h GLN 207 Cb 1.70 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 29.25 3abu h GLN 207 CO 0.20 0.49 0.19 -0.22 -0.67 0.00 0.00 178.83 178.82 3abu h LYS 208 N 0.76 0.35 -0.16 1.46 1.63 -1.36 -1.74 116.57 117.52 3abu h LYS 208 Ca 0.39 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.15 3abu h LYS 208 Cb 0.35 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3abu h LYS 208 CO -0.25 0.23 0.03 0.28 -3.45 0.00 0.00 179.45 176.30 3abu h VAL 209 N 0.36 1.21 -0.27 2.00 2.07 -0.79 -2.65 116.25 118.18 3abu h VAL 209 Ca 0.26 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3abu h VAL 209 Cb 0.31 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 3abu h VAL 209 CO -0.28 0.20 -0.40 0.15 0.02 0.00 0.00 177.57 177.26 3abu h PHE 210 N 0.05 -1.14 -0.55 1.57 3.57 -0.25 -0.07 116.94 120.12 3abu h PHE 210 Ca 0.05 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3abu h PHE 210 Cb 0.27 0.54 -0.06 0.00 2.79 0.00 0.00 35.95 39.49 3abu h PHE 210 CO 0.01 -0.44 0.21 -0.07 -2.23 0.00 0.00 178.31 175.79 3abu h LEU 211 N -0.39 0.23 -1.51 0.59 3.38 -1.30 0.71 115.31 117.03 3abu h LEU 211 Ca 0.11 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3abu h LEU 211 Cb 0.59 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3abu h LEU 211 CO -0.47 0.15 0.05 0.15 0.09 0.00 0.00 178.44 178.41 3abu h PHE 212 N 0.40 0.37 -0.03 1.13 3.57 -0.98 0.52 116.94 121.93 3abu h PHE 212 Ca 0.26 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3abu h PHE 212 Cb 0.28 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3abu h PHE 212 CO -0.15 0.34 -0.02 0.82 -2.23 0.00 0.00 178.31 177.07 3abu h ILE 213 N 0.37 1.34 0.36 1.41 1.08 0.32 0.13 117.51 122.51 3abu h ILE 213 Ca 0.09 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3abu h ILE 213 Cb 0.17 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3abu h ILE 213 CO -0.00 0.28 -0.36 -0.09 -0.69 0.00 0.00 178.15 177.29 3abu h ARG 214 N -0.35 -0.72 -0.29 2.37 1.12 -0.07 0.11 114.38 116.55 3abu h ARG 214 Ca 0.01 0.05 0.04 0.00 -1.11 0.00 0.00 59.98 58.96 3abu h ARG 214 Cb 0.46 0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.56 3abu h ARG 214 CO 0.00 -0.48 0.20 -0.91 -3.11 0.00 0.00 179.97 175.68 3abu h ASN 215 N -0.74 0.20 0.44 -3.80 2.35 0.00 -1.13 115.58 112.89 3abu h ASN 215 Ca -0.02 -0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.47 3abu h ASN 215 Cb 0.67 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.00 3abu h ASN 215 CO -0.06 0.14 -1.11 -0.09 -1.65 0.00 0.00 177.43 174.65 3abu h ARG 216 N 0.23 0.38 0.34 0.81 9.65 -0.30 -2.59 114.38 122.89 3abu h ARG 216 Ca 0.13 -0.50 -0.02 0.00 -1.10 0.00 0.00 59.98 58.48 3abu h ARG 216 Cb 0.21 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3abu h ARG 216 CO -0.02 1.19 -0.17 1.15 2.80 0.00 0.00 179.97 184.92 3abu h THR 217 N 0.17 0.61 -0.60 0.20 2.02 -0.02 -2.45 112.91 112.84 3abu h THR 217 Ca -0.12 -0.59 0.12 0.00 0.77 0.00 0.00 66.41 66.59 3abu h THR 217 Cb 1.79 0.88 -0.11 0.00 -1.74 0.00 0.00 68.15 68.97 3abu h THR 217 CO 0.19 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 176.03 3abu h LEU 218 N -0.82 -0.44 -0.28 2.58 3.38 -1.35 -1.16 115.31 117.22 3abu h LEU 218 Ca -0.05 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3abu h LEU 218 Cb 0.52 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 3abu h LEU 218 CO 0.08 -0.16 -0.52 -0.61 0.09 0.00 0.00 178.44 177.32 3abu h GLN 219 N 0.04 -0.45 -0.51 1.13 4.15 -1.37 0.50 115.11 118.61 3abu h GLN 219 Ca 0.30 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.85 3abu h GLN 219 Cb 0.47 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.16 3abu h GLN 219 CO -0.57 -0.30 -0.20 -0.07 -1.93 0.00 0.00 178.83 175.76 3abu h LEU 220 N -0.46 -0.71 0.40 -2.39 3.38 -0.75 0.72 115.31 115.50 3abu h LEU 220 Ca 0.07 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3abu h LEU 220 Cb 0.63 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3abu h LEU 220 CO -0.52 -0.23 -0.30 -0.25 0.09 0.00 0.00 178.44 177.23 3abu h TRP 221 N -0.09 -0.80 -0.65 1.13 2.91 -0.45 -2.86 115.95 115.15 3abu h TRP 221 Ca 0.24 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.26 3abu h TRP 221 Cb 0.46 0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 29.37 3abu h TRP 221 CO -0.49 -0.45 0.42 -0.07 -1.03 0.00 0.00 178.44 176.82 3abu h LEU 222 N -0.70 0.74 0.00 0.65 3.38 0.73 -0.13 115.31 119.99 3abu h LEU 222 Ca -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3abu h LEU 222 Cb 0.60 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3abu h LEU 222 CO 0.00 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.54 3abu n ASP 223 N -4.43 0.00 0.00 -0.43 8.00 0.24 -4.08 116.55 115.85 3abu n ASP 223 Ca 0.07 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.26 3abu n ASP 223 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3abu n ASP 223 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3abu n ASN 224 N -0.53 0.00 -0.27 -2.24 5.15 -0.29 -5.04 115.26 112.05 3abu n ASN 224 Ca 0.01 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 3abu n ASN 224 Cb 0.00 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 39.60 3abu n ASN 224 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3abu n PRO 225 N 0.00 1.34 0.14 1.20 -0.04 -0.22 -3.85 135.00 133.58 3abu n PRO 225 Ca 0.00 -0.52 0.04 0.00 -0.04 0.00 0.00 63.50 62.98 3abu n PRO 225 Cb 0.00 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.22 3abu n PRO 225 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3abu h LYS 226 N 0.99 0.00 -6.47 0.54 1.57 -1.85 -3.41 116.57 107.93 3abu h LYS 226 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3abu h LYS 226 Cb 0.22 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.23 3abu h LYS 226 CO 0.00 0.35 -0.89 -1.50 -0.57 0.00 0.00 179.45 176.85 3abu s ILE 227 N -3.02 2.03 0.01 1.86 -1.16 -1.25 0.32 121.20 119.98 3abu s ILE 227 Ca 0.03 -1.09 -0.33 0.00 -0.51 0.00 0.00 60.65 58.75 3abu s ILE 227 Cb 0.07 -1.69 -0.11 0.00 0.61 0.00 0.00 42.46 41.34 3abu s ILE 227 CO 0.74 0.57 1.85 1.67 -2.81 0.00 0.00 174.94 176.97 3abu n GLN 228 N 2.54 2.42 -2.91 3.50 7.27 0.06 -4.84 117.38 125.42 3abu n GLN 228 Ca -0.16 0.88 -0.42 0.00 0.07 0.00 0.00 57.00 57.37 3abu n GLN 228 Cb 0.51 -2.75 -0.04 0.00 2.41 0.00 0.00 30.24 30.37 3abu n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3abu s LEU 229 N 3.51 4.08 0.33 1.69 2.96 -1.26 -4.76 118.68 125.23 3abu s LEU 229 Ca 0.88 0.93 0.07 0.00 -0.22 0.00 0.00 54.13 55.79 3abu s LEU 229 Cb -0.60 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 3abu s LEU 229 CO 0.46 -0.54 0.46 0.42 -1.32 0.00 0.00 176.35 175.83 3abu s THR 230 N 2.87 4.09 0.25 3.68 -4.23 -1.26 -4.84 115.64 116.20 3abu s THR 230 Ca 0.34 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.79 3abu s THR 230 Cb -0.15 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.53 3abu s THR 230 CO 0.09 -0.16 1.93 0.15 -0.54 0.00 0.00 174.62 176.08 3abu h PHE 231 N 0.91 1.24 0.37 3.99 3.57 -1.96 0.18 116.94 125.24 3abu h PHE 231 Ca -0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 3abu h PHE 231 Cb 1.26 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3abu h PHE 231 CO 0.43 0.79 -0.18 1.49 -2.23 0.00 0.00 178.31 178.61 3abu h GLU 232 N 1.32 -0.47 -0.70 1.11 4.81 -1.99 -1.62 114.58 117.04 3abu h GLU 232 Ca 0.35 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.73 3abu h GLU 232 Cb -0.13 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3abu h GLU 232 CO -0.07 -0.16 0.47 0.00 -0.73 0.00 0.00 179.01 178.51 3abu h ALA 233 N -0.36 1.95 0.27 2.92 0.00 -1.88 -1.28 119.26 120.89 3abu h ALA 233 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3abu h ALA 233 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3abu h ALA 233 CO 0.08 -0.11 -0.13 1.15 0.00 0.00 0.00 179.25 180.24 3abu h THR 234 N 0.52 0.76 -0.71 0.00 2.02 -0.57 -2.98 112.91 111.94 3abu h THR 234 Ca 0.33 -0.60 0.16 0.00 0.77 0.00 0.00 66.41 67.07 3abu h THR 234 Cb 0.58 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3abu h THR 234 CO -0.11 0.12 0.49 0.25 0.37 0.00 0.00 175.52 176.64 3abu h LEU 235 N -0.70 0.26 -0.49 2.58 5.85 -0.45 0.27 115.31 122.64 3abu h LEU 235 Ca -0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3abu h LEU 235 Cb 0.48 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3abu h LEU 235 CO 0.06 0.13 -0.07 0.00 -0.34 0.00 0.00 178.44 178.22 3abu n GLN 236 N -4.44 1.12 -0.00 1.25 6.02 -0.56 -3.86 117.38 116.90 3abu n GLN 236 Ca 0.14 -0.49 0.04 0.00 -0.01 0.00 0.00 57.00 56.67 3abu n GLN 236 Cb 0.59 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.31 3abu n GLN 236 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3abu n GLN 237 N -0.51 2.73 -1.86 -1.09 6.02 0.03 -4.99 117.38 117.71 3abu n GLN 237 Ca 0.17 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 3abu n GLN 237 Cb 0.28 -0.99 0.03 0.00 1.02 0.00 0.00 30.24 30.59 3abu n GLN 237 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3abu s LEU 238 N -2.85 3.39 0.34 1.08 1.43 -0.85 -5.05 118.68 116.17 3abu s LEU 238 Ca 0.00 1.82 0.07 0.00 -1.03 0.00 0.00 54.13 55.00 3abu s LEU 238 Cb 0.05 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 3abu s LEU 238 CO 0.30 -1.36 0.36 -1.83 0.23 0.00 0.00 176.35 174.06 3abu s GLU 239 N -4.28 2.89 0.57 1.70 1.03 -1.26 -4.60 118.70 114.75 3abu s GLU 239 Ca 0.63 -1.18 -0.21 0.00 0.03 0.00 0.00 54.97 54.25 3abu s GLU 239 Cb -0.17 -2.62 -0.04 0.00 -0.80 0.00 0.00 34.13 30.51 3abu s GLU 239 CO 0.42 0.08 1.31 0.00 -1.33 0.00 0.00 175.26 175.74 3abu n ALA 240 N -1.48 1.36 1.34 -0.84 0.00 -1.26 -2.00 120.51 117.63 3abu n ALA 240 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3abu n ALA 240 Cb 0.59 -2.33 0.44 0.00 0.00 0.00 0.00 19.45 18.15 3abu n ALA 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3abu n PRO 241 N -1.22 1.07 0.05 0.00 -0.04 -1.26 -4.88 135.00 128.72 3abu n PRO 241 Ca 0.12 -0.61 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 3abu n PRO 241 Cb 0.45 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 3abu n PRO 241 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3abu h TYR 242 N 1.49 -0.64 0.00 0.54 0.05 -1.79 -1.98 116.97 114.64 3abu h TYR 242 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3abu h TYR 242 Cb 0.49 0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3abu h TYR 242 CO 0.00 -0.33 0.62 -2.95 -1.05 0.00 0.00 178.16 174.45 3abu h ASN 243 N -0.36 0.00 0.86 3.88 -0.00 -1.77 0.51 115.58 118.70 3abu h ASN 243 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.24 3abu h ASN 243 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.75 3abu h ASN 243 CO -0.23 0.00 -1.22 0.28 -0.00 0.00 0.00 177.43 176.25 3abu h SER 244 N 0.00 0.00 -1.25 6.14 0.02 -1.68 -3.39 113.55 113.40 3abu h SER 244 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 3abu h SER 244 Cb 1.23 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 3abu h SER 244 CO 0.00 0.47 2.14 -0.67 -1.14 0.00 0.00 176.83 177.63 3abu n ASP 245 N -2.90 5.07 -0.12 3.07 -0.08 0.18 -4.78 116.55 116.99 3abu n ASP 245 Ca -0.07 -3.09 -0.09 0.00 -1.51 0.00 0.00 54.79 50.04 3abu n ASP 245 Cb 0.78 -1.49 -0.03 0.00 2.34 0.00 0.00 41.12 42.72 3abu n ASP 245 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3abu h THR 246 N 3.72 0.16 -0.28 5.18 2.02 -1.78 -2.31 112.91 119.62 3abu h THR 246 Ca 0.42 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.64 3abu h THR 246 Cb 0.62 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3abu h THR 246 CO 1.65 0.00 -0.49 0.58 0.37 0.00 0.00 175.52 177.63 3abu h VAL 247 N -0.30 0.00 -0.06 3.16 2.07 -1.97 -1.44 116.25 117.72 3abu h VAL 247 Ca 0.15 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3abu h VAL 247 Cb 0.57 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3abu h VAL 247 CO -0.55 0.00 -0.38 0.25 0.02 0.00 0.00 177.57 176.91 3abu h LEU 248 N -0.41 -1.15 -0.76 2.57 6.46 -1.91 0.18 115.31 120.30 3abu h LEU 248 Ca 0.05 0.15 0.07 0.00 -0.12 0.00 0.00 57.88 58.03 3abu h LEU 248 Cb 0.55 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 40.85 3abu h LEU 248 CO -0.48 -0.41 -0.54 0.58 -0.62 0.00 0.00 178.44 176.96 3abu h VAL 249 N -0.50 0.00 -0.15 1.05 2.07 -1.06 0.23 116.25 117.90 3abu h VAL 249 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3abu h VAL 249 Cb 0.61 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3abu h VAL 249 CO -0.33 0.00 -0.25 -0.74 0.02 0.00 0.00 177.57 176.27 3abu h HIS 250 N -0.12 -0.76 -1.13 1.57 -0.00 -0.27 0.20 115.15 114.63 3abu h HIS 250 Ca 0.12 0.03 0.42 0.00 -0.00 0.00 0.00 60.37 60.95 3abu h HIS 250 Cb 0.44 0.35 -0.16 0.00 -0.00 0.00 0.00 27.41 28.04 3abu h HIS 250 CO -0.93 -0.23 0.67 0.00 -0.00 0.00 0.00 177.93 177.44 3abu h ARG 251 N -0.21 0.06 0.17 5.26 3.08 0.12 0.35 114.38 123.21 3abu h ARG 251 Ca 0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3abu h ARG 251 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3abu h ARG 251 CO -0.25 0.04 -0.08 0.28 -1.07 0.00 0.00 179.97 178.89 3abu h VAL 252 N 0.06 0.00 -0.86 2.04 2.07 0.74 -2.54 116.25 117.76 3abu h VAL 252 Ca 0.84 -0.82 0.22 0.00 0.82 0.00 0.00 66.70 67.76 3abu h VAL 252 Cb 2.35 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.98 3abu h VAL 252 CO -0.63 0.00 0.25 -0.74 0.02 0.00 0.00 177.57 176.47 3abu h HIS 253 N -1.05 0.38 0.31 1.57 -0.00 0.47 0.39 115.15 117.23 3abu h HIS 253 Ca -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3abu h HIS 253 Cb 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3abu h HIS 253 CO 0.00 -0.17 -0.15 0.77 -0.00 0.00 0.00 177.93 178.38 3abu h SER 254 N 0.24 -0.35 -0.89 3.26 0.02 -0.46 -0.91 113.55 114.46 3abu h SER 254 Ca 0.53 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.63 3abu h SER 254 Cb 1.05 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 63.54 3abu h SER 254 CO -0.62 -0.25 -0.36 0.00 -1.14 0.00 0.00 176.83 174.46 3abu n TYR 255 N -3.14 -0.02 -0.27 3.45 4.19 -0.12 0.17 117.16 121.44 3abu n TYR 255 Ca -0.05 1.09 0.02 0.00 3.31 0.00 0.00 57.90 62.27 3abu n TYR 255 Cb 0.16 -0.81 0.15 0.00 0.49 0.00 0.00 39.34 39.34 3abu n TYR 255 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 3abu h LEU 256 N 0.00 0.56 -0.10 2.98 3.38 -0.18 -2.18 115.31 119.77 3abu h LEU 256 Ca 0.29 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3abu h LEU 256 Cb 0.51 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3abu h LEU 256 CO -0.88 0.32 -0.03 -0.08 0.09 0.00 0.00 178.44 177.86 3abu h GLU 257 N 0.69 0.19 -0.69 1.13 4.81 0.12 0.10 114.58 120.92 3abu h GLU 257 Ca 0.37 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 3abu h GLU 257 Cb 0.37 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3abu h GLU 257 CO -0.26 0.51 0.46 -0.09 -0.73 0.00 0.00 179.01 178.90 3abu h ARG 258 N -0.15 0.55 -0.66 1.92 9.65 -0.61 -0.88 114.38 124.19 3abu h ARG 258 Ca 0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3abu h ARG 258 Cb 0.45 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3abu h ARG 258 CO 0.01 0.36 0.00 0.72 2.80 0.00 0.00 179.97 183.86 3abu n HIS 259 N -4.49 1.62 -3.09 2.20 8.25 -0.85 -3.85 115.22 115.01 3abu n HIS 259 Ca 0.11 -0.57 -0.23 0.00 -0.26 0.00 0.00 57.72 56.78 3abu n HIS 259 Cb 0.35 -0.41 0.03 0.00 1.12 0.00 0.00 29.99 31.08 3abu n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3abu n GLY 260 N 0.55 -0.52 0.03 -1.41 0.00 -0.34 -4.79 105.19 98.72 3abu n GLY 260 Ca 0.22 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.47 3abu n GLY 260 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3abu n LEU 261 N -3.98 0.55 -3.92 0.99 4.77 0.35 -4.84 117.00 110.92 3abu n LEU 261 Ca -0.09 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 3abu n LEU 261 Cb 0.60 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3abu n LEU 261 CO 0.48 0.04 -0.18 0.27 -1.33 0.00 0.00 177.39 176.67 3abu s ILE 262 N -3.25 0.15 -0.82 -0.08 -4.36 -1.21 -4.96 121.20 106.66 3abu s ILE 262 Ca 0.01 -1.21 -0.02 0.00 -0.26 0.00 0.00 60.65 59.17 3abu s ILE 262 Cb 0.14 -1.16 -0.00 0.00 1.25 0.00 0.00 42.46 42.69 3abu s ILE 262 CO 0.83 -0.67 0.69 0.59 0.24 0.00 0.00 174.94 176.62 3abu n ASN 263 N 0.35 -6.59 -3.66 4.36 3.02 -1.26 -4.51 115.26 106.97 3abu n ASN 263 Ca -0.17 -0.47 -0.10 0.00 -0.03 0.00 0.00 54.58 53.81 3abu n ASN 263 Cb 0.60 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 3abu n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3abu s PHE 264 N -3.06 -0.17 0.00 3.10 -0.71 -1.26 -4.91 117.98 110.97 3abu s PHE 264 Ca 0.07 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 3abu s PHE 264 Cb -0.02 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 3abu s PHE 264 CO 0.81 -0.67 0.00 0.41 -1.34 0.00 0.00 175.22 174.43 3abu n GLY 265 N -0.13 0.97 2.65 1.99 0.00 -1.26 -4.77 105.19 104.64 3abu n GLY 265 Ca -0.16 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 3abu n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abu s ILE 266 N 0.00 -0.09 0.11 -0.61 1.01 -1.26 -4.97 121.20 115.39 3abu s ILE 266 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 3abu s ILE 266 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3abu s ILE 266 CO 0.00 -0.01 0.11 -0.72 0.00 0.00 0.00 174.94 174.33 3abu s TYR 267 N 2.15 0.53 0.11 3.97 1.13 -1.26 -4.76 117.35 119.23 3abu s TYR 267 Ca 0.04 -0.96 -0.30 0.00 -1.41 0.00 0.00 57.07 54.43 3abu s TYR 267 Cb -0.14 -0.28 -0.06 0.00 -1.10 0.00 0.00 41.96 40.38 3abu s TYR 267 CO -0.05 -0.53 1.19 0.15 -2.51 0.00 0.00 175.55 173.79 3abu s LYS 268 N -3.96 4.47 -0.22 -3.49 1.02 0.15 -4.78 119.74 112.92 3abu s LYS 268 Ca 0.15 1.79 -0.21 0.00 0.02 0.00 0.00 55.97 57.71 3abu s LYS 268 Cb 0.06 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 3abu s LYS 268 CO -0.04 -0.17 0.66 1.03 -0.92 0.00 0.00 175.35 175.91 3abu s ARG 269 N 0.56 4.18 0.01 1.68 0.52 -1.26 -0.76 118.95 123.88 3abu s ARG 269 Ca 0.56 0.65 0.24 0.00 -0.52 0.00 0.00 55.73 56.65 3abu s ARG 269 Cb -0.30 -3.61 0.22 0.00 0.52 0.00 0.00 34.95 31.78 3abu s ARG 269 CO 0.32 -0.33 1.21 0.44 0.02 0.00 0.00 175.30 176.96 3abu n ILE 270 N 4.91 0.04 -3.87 1.52 -0.00 -1.26 -4.51 119.36 116.19 3abu n ILE 270 Ca -0.00 -0.05 -0.30 0.00 -0.00 0.00 0.00 62.75 62.40 3abu n ILE 270 Cb 0.49 0.44 -0.14 0.00 -0.00 0.00 0.00 39.64 40.43 3abu n ILE 270 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3abu s LYS 271 N -3.04 1.76 0.24 6.28 1.02 -1.26 -5.10 119.74 119.64 3abu s LYS 271 Ca 0.09 -2.44 -0.30 0.00 0.02 0.00 0.00 55.97 53.34 3abu s LYS 271 Cb 0.16 -2.99 -0.15 0.00 -0.52 0.00 0.00 37.83 34.33 3abu s LYS 271 CO 0.76 -1.13 0.98 -2.30 -0.92 0.00 0.00 175.35 172.74 3abu n PRO 272 N 3.22 1.07 -1.69 -1.68 -0.02 -1.26 -4.92 135.00 129.71 3abu n PRO 272 Ca 0.07 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 3abu n PRO 272 Cb 0.33 -1.72 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3abu n PRO 272 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3abu n LEU 273 N 1.57 3.76 -4.75 2.45 4.77 -1.26 -4.96 117.00 118.58 3abu n LEU 273 Ca 0.13 1.13 -0.41 0.00 -0.03 0.00 0.00 56.01 56.83 3abu n LEU 273 Cb 0.28 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 3abu n LEU 273 CO 0.60 -0.67 0.83 -2.16 -1.33 0.00 0.00 177.39 174.66 3abu s PRO 274 N -2.09 4.57 0.24 3.23 0.04 -1.26 -4.94 135.00 134.79 3abu s PRO 274 Ca 0.59 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 63.44 3abu s PRO 274 Cb -0.53 -3.19 0.24 0.00 0.04 0.00 0.00 34.50 31.06 3abu s PRO 274 CO 0.59 0.10 1.85 0.00 0.04 0.00 0.00 177.00 179.58 3abu h THR 275 N 3.26 1.25 -2.35 1.26 1.03 -2.00 -3.40 112.91 111.96 3abu h THR 275 Ca -0.46 -0.66 -0.53 0.00 -0.01 0.00 0.00 66.41 64.75 3abu h THR 275 Cb 1.21 0.12 -0.04 0.00 -1.07 0.00 0.00 68.15 68.37 3abu h THR 275 CO 0.69 0.29 1.24 -1.59 -0.01 0.00 0.00 175.52 176.14 3abu s LYS 276 N -5.76 2.97 -0.30 0.00 0.00 -1.26 -4.98 119.74 110.41 3abu s LYS 276 Ca -0.12 0.60 -0.16 0.00 0.00 0.00 0.00 55.97 56.30 3abu s LYS 276 Cb 0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 37.83 33.71 3abu s LYS 276 CO 0.83 -2.33 0.40 0.15 0.00 0.00 0.00 175.35 174.40 3abu s LYS 277 N 6.29 3.83 -0.08 1.78 1.02 -1.26 -4.94 119.74 126.39 3abu s LYS 277 Ca 0.62 -0.10 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 3abu s LYS 277 Cb -0.13 -3.72 -0.05 0.00 -0.52 0.00 0.00 37.83 33.41 3abu s LYS 277 CO 0.23 -0.41 0.40 0.99 -0.92 0.00 0.00 175.35 175.64 3abu s THR 278 N 2.13 5.15 0.22 2.17 2.01 -0.64 -4.62 115.64 122.07 3abu s THR 278 Ca 0.15 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.95 3abu s THR 278 Cb -0.16 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.63 3abu s THR 278 CO 0.11 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3abu n GLY 279 N 2.65 -4.24 3.25 4.40 0.00 -1.26 -3.66 105.19 106.33 3abu n GLY 279 Ca -0.11 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3abu n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3abu s LYS 280 N -3.21 2.95 -0.03 1.61 2.47 -1.26 0.14 119.74 122.42 3abu s LYS 280 Ca 0.00 -0.91 0.07 0.00 -1.56 0.00 0.00 55.97 53.56 3abu s LYS 280 Cb 0.00 -3.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.27 3abu s LYS 280 CO 0.00 -0.39 -0.23 0.54 0.16 0.00 0.00 175.35 175.42 3abu s VAL 281 N 1.38 1.86 -0.14 4.02 0.11 -0.08 0.14 120.40 127.69 3abu s VAL 281 Ca 0.01 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 58.04 3abu s VAL 281 Cb -0.17 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 3abu s VAL 281 CO -0.03 0.52 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.59 3abu s ILE 282 N -0.41 3.79 -0.17 7.04 1.01 -0.45 -2.89 121.20 129.11 3abu s ILE 282 Ca 0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3abu s ILE 282 Cb -0.10 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3abu s ILE 282 CO 0.00 0.51 0.09 -0.63 0.00 0.00 0.00 174.94 174.91 3abu s ILE 283 N 0.24 5.05 -0.23 2.92 1.01 -0.31 -1.10 121.20 128.78 3abu s ILE 283 Ca -0.03 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3abu s ILE 283 Cb -0.14 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3abu s ILE 283 CO 0.03 0.48 0.35 -0.63 0.00 0.00 0.00 174.94 175.18 3abu s ILE 284 N 0.10 5.21 0.00 2.92 1.01 -0.01 -0.38 121.20 130.06 3abu s ILE 284 Ca 0.07 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3abu s ILE 284 Cb -0.12 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3abu s ILE 284 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3abu n GLY 285 N 4.28 -0.81 1.79 6.18 0.00 -0.44 -2.25 105.19 113.94 3abu n GLY 285 Ca -0.09 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 3abu n GLY 285 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3abu n SER 286 N -0.73 4.42 -3.35 1.61 2.88 -1.26 -4.62 113.62 112.57 3abu n SER 286 Ca 0.00 -3.78 -0.21 0.00 -1.33 0.00 0.00 58.87 53.55 3abu n SER 286 Cb 0.00 -0.38 0.16 0.00 -0.75 0.00 0.00 64.21 63.24 3abu n SER 286 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3abu n GLY 287 N -0.78 -1.75 0.34 0.46 0.00 -1.26 -2.69 105.19 99.51 3abu n GLY 287 Ca 0.40 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.82 3abu n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3abu h VAL 288 N -1.79 0.97 0.19 1.61 2.07 -1.94 0.11 116.25 117.47 3abu h VAL 288 Ca -0.31 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3abu h VAL 288 Cb 0.87 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3abu h VAL 288 CO 0.21 0.17 -0.11 0.77 0.02 0.00 0.00 177.57 178.64 3abu h SER 289 N 0.95 -0.27 0.31 0.57 4.64 -1.89 -1.72 113.55 116.14 3abu h SER 289 Ca 0.43 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3abu h SER 289 Cb 0.33 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3abu h SER 289 CO -0.23 -0.18 -0.34 1.23 -0.87 0.00 0.00 176.83 176.45 3abu h GLY 290 N -0.28 -0.76 0.55 -0.77 0.00 -1.52 -2.75 103.07 97.53 3abu h GLY 290 Ca -0.02 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.76 3abu h GLY 290 CO 0.02 -0.28 0.15 1.41 0.00 0.00 0.00 176.54 177.84 3abu h LEU 291 N -0.68 0.14 -0.24 3.11 3.38 -0.81 -1.18 115.31 119.02 3abu h LEU 291 Ca -0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3abu h LEU 291 Cb 0.63 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3abu h LEU 291 CO -0.08 0.11 -0.51 0.00 0.09 0.00 0.00 178.44 178.05 3abu h ALA 292 N 1.31 -0.73 -0.51 1.53 0.00 -1.20 0.25 119.26 119.91 3abu h ALA 292 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3abu h ALA 292 Cb 0.23 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3abu h ALA 292 CO -0.23 -1.02 0.33 0.00 0.00 0.00 0.00 179.25 178.33 3abu h ALA 293 N -0.04 0.65 -0.28 0.00 0.00 -1.31 -2.28 119.26 116.00 3abu h ALA 293 Ca 0.07 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3abu h ALA 293 Cb 0.64 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3abu h ALA 293 CO -0.49 0.11 -0.20 0.00 0.00 0.00 0.00 179.25 178.67 3abu h ALA 294 N 1.18 -0.02 0.00 0.00 0.00 -0.19 0.32 119.26 120.55 3abu h ALA 294 Ca 0.19 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3abu h ALA 294 Cb -0.06 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3abu h ALA 294 CO -0.04 -0.61 -0.08 0.00 0.00 0.00 0.00 179.25 178.52 3abu h ARG 295 N -0.18 0.00 0.21 0.00 3.08 -0.22 -1.69 114.38 115.58 3abu h ARG 295 Ca 0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3abu h ARG 295 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3abu h ARG 295 CO -0.39 0.08 -0.10 1.96 -1.07 0.00 0.00 179.97 180.45 3abu h GLN 296 N 0.00 -0.27 -0.86 0.04 1.08 -0.28 -2.15 115.11 112.67 3abu h GLN 296 Ca -0.00 0.02 0.21 0.00 -1.45 0.00 0.00 58.65 57.43 3abu h GLN 296 Cb 0.16 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 3abu h GLN 296 CO 0.01 0.01 0.58 -0.07 -0.95 0.00 0.00 178.83 178.42 3abu h LEU 297 N -1.00 0.28 -0.01 1.46 4.07 -0.34 -0.09 115.31 119.68 3abu h LEU 297 Ca -0.03 0.03 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 3abu h LEU 297 Cb 0.41 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.13 3abu h LEU 297 CO 0.05 0.11 -1.11 -0.61 -1.08 0.00 0.00 178.44 175.80 3abu h GLN 298 N 0.28 0.39 0.00 1.13 4.15 -1.37 0.52 115.11 120.20 3abu h GLN 298 Ca 0.43 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.34 3abu h GLN 298 Cb 1.26 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.12 3abu h GLN 298 CO -0.12 1.19 0.00 0.66 -1.93 0.00 0.00 178.83 178.63 3abu h SER 299 N 0.17 0.00 -0.47 -0.69 4.64 -0.42 0.11 113.55 116.89 3abu h SER 299 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3abu h SER 299 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3abu h SER 299 CO 0.19 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.64 3abu n PHE 300 N -2.88 0.68 -3.20 4.77 3.72 -0.21 -4.94 117.46 115.40 3abu n PHE 300 Ca 0.01 -0.32 -0.15 0.00 -0.05 0.00 0.00 57.45 56.94 3abu n PHE 300 Cb 0.31 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.89 3abu n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3abu n GLY 301 N 1.20 -0.05 3.74 1.37 0.00 0.03 -4.94 105.19 106.52 3abu n GLY 301 Ca 0.16 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3abu n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3abu s MET 302 N -5.75 2.61 -0.49 1.61 -1.94 0.16 -1.62 119.30 113.88 3abu s MET 302 Ca 0.34 -1.25 -0.21 0.00 -1.71 0.00 0.00 55.69 52.86 3abu s MET 302 Cb -0.15 -2.36 0.04 0.00 2.01 0.00 0.00 34.83 34.37 3abu s MET 302 CO 0.49 0.37 0.72 0.34 -0.01 0.00 0.00 175.02 176.93 3abu s ASP 303 N -3.77 6.31 -0.03 3.03 -1.08 0.12 -4.41 116.67 116.84 3abu s ASP 303 Ca 0.32 -0.50 0.03 0.00 -0.52 0.00 0.00 52.55 51.89 3abu s ASP 303 Cb -0.07 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 3abu s ASP 303 CO 0.23 -0.93 -0.12 0.54 0.52 0.00 0.00 175.17 175.40 3abu s VAL 304 N 3.07 1.03 -0.03 1.11 0.11 -1.26 -0.90 120.40 123.53 3abu s VAL 304 Ca 0.23 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 3abu s VAL 304 Cb -0.15 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 3abu s VAL 304 CO 0.17 0.31 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.28 3abu s THR 305 N 0.15 0.76 -0.21 5.04 2.01 -1.14 -4.33 115.64 117.91 3abu s THR 305 Ca -0.04 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 3abu s THR 305 Cb -0.10 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3abu s THR 305 CO 0.01 0.25 0.08 -0.76 -0.69 0.00 0.00 174.62 173.51 3abu s LEU 306 N 0.42 3.73 -0.38 4.42 1.02 -0.21 -1.16 118.68 126.52 3abu s LEU 306 Ca -0.07 -0.02 -0.15 0.00 0.02 0.00 0.00 54.13 53.92 3abu s LEU 306 Cb -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.13 3abu s LEU 306 CO 0.01 0.08 0.32 -0.76 0.02 0.00 0.00 176.35 176.02 3abu s LEU 307 N 0.91 4.74 -0.20 1.79 1.43 0.49 -0.84 118.68 127.00 3abu s LEU 307 Ca 0.04 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3abu s LEU 307 Cb -0.14 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3abu s LEU 307 CO 0.03 -0.38 -0.12 -0.70 0.23 0.00 0.00 176.35 175.41 3abu s GLU 308 N 1.85 3.18 0.25 1.70 2.56 -1.15 -1.32 118.70 125.77 3abu s GLU 308 Ca 0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 54.97 54.29 3abu s GLU 308 Cb -0.18 -2.81 0.42 0.00 2.00 0.00 0.00 34.13 33.57 3abu s GLU 308 CO 0.11 -0.21 1.82 0.00 -0.56 0.00 0.00 175.26 176.43 3abu h ALA 309 N 8.03 1.26 -2.50 6.30 0.00 -1.84 0.16 119.26 130.67 3abu h ALA 309 Ca -0.43 0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.03 3abu h ALA 309 Cb 1.15 -0.17 0.12 0.00 0.00 0.00 0.00 17.79 18.89 3abu h ALA 309 CO 0.62 0.17 0.32 1.03 0.00 0.00 0.00 179.25 181.39 3abu s ARG 310 N -6.02 1.34 -0.33 0.00 0.52 -1.26 -3.41 118.95 109.79 3abu s ARG 310 Ca -0.12 0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.43 3abu s ARG 310 Cb 0.20 -1.86 0.58 0.00 0.52 0.00 0.00 34.95 34.38 3abu s ARG 310 CO 0.79 -2.06 1.70 -0.40 0.02 0.00 0.00 175.30 175.35 3abu n ASP 311 N -3.67 3.91 -3.47 0.23 3.85 -1.26 -0.82 116.55 115.32 3abu n ASP 311 Ca 0.07 -3.19 -0.11 0.00 -0.71 0.00 0.00 54.79 50.85 3abu n ASP 311 Cb 0.59 -0.75 -0.02 0.00 -1.35 0.00 0.00 41.12 39.59 3abu n ASP 311 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3abu s ARG 312 N -2.64 1.04 0.64 0.11 1.70 -1.26 -4.96 118.95 113.57 3abu s ARG 312 Ca 0.46 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 55.41 3abu s ARG 312 Cb 0.38 0.48 0.10 0.00 -0.57 0.00 0.00 34.95 35.33 3abu s ARG 312 CO 0.10 -0.44 0.88 0.14 -1.08 0.00 0.00 175.30 174.90 3abu s VAL 313 N -3.25 2.27 0.00 4.99 -7.23 -1.26 -4.64 120.40 111.28 3abu s VAL 313 Ca 0.02 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 3abu s VAL 313 Cb -0.01 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3abu s VAL 313 CO -0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3abu n GLY 314 N -2.54 2.35 7.00 2.32 0.00 -1.09 -4.93 105.19 108.29 3abu n GLY 314 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3abu n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abu n GLY 315 N 0.00 3.37 0.00 -0.02 0.00 -1.26 -0.46 105.19 106.82 3abu n GLY 315 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.32 3abu n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3abu n ARG 316 N 10.68 0.59 -3.83 1.61 1.74 -1.26 -4.14 116.66 122.05 3abu n ARG 316 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3abu n ARG 316 Cb 0.00 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 3abu n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3abu s VAL 317 N -2.00 3.32 -0.05 1.55 1.01 0.39 -2.48 120.40 122.14 3abu s VAL 317 Ca 0.13 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3abu s VAL 317 Cb 0.06 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3abu s VAL 317 CO 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 175.10 174.86 3abu s ALA 318 N 1.28 1.02 -0.09 5.51 0.00 -1.26 -4.39 121.76 123.84 3abu s ALA 318 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3abu s ALA 318 Cb -0.20 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3abu s ALA 318 CO -0.00 0.11 -0.10 0.99 0.00 0.00 0.00 175.76 176.75 3abu s THR 319 N 0.54 1.10 -0.23 0.00 2.01 -1.26 -1.27 115.64 116.53 3abu s THR 319 Ca -0.10 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 3abu s THR 319 Cb -0.13 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.33 3abu s THR 319 CO 0.02 0.36 0.95 0.12 -0.69 0.00 0.00 174.62 175.38 3abu s PHE 320 N 1.12 3.34 -0.08 4.92 5.36 0.98 -4.93 117.98 128.69 3abu s PHE 320 Ca -0.06 1.34 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 3abu s PHE 320 Cb -0.14 -3.17 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 3abu s PHE 320 CO -0.02 -0.43 -0.09 1.03 -1.46 0.00 0.00 175.22 174.26 3abu s ARG 321 N 2.96 1.44 -0.29 10.12 0.52 -1.26 -2.08 118.95 130.36 3abu s ARG 321 Ca 0.40 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.19 3abu s ARG 321 Cb -0.15 -1.37 0.12 0.00 0.52 0.00 0.00 34.95 34.07 3abu s ARG 321 CO 0.07 -0.12 0.80 0.21 0.02 0.00 0.00 175.30 176.29 3abu s LYS 322 N 1.17 0.52 6.90 3.54 2.20 -0.60 -5.01 119.74 128.46 3abu s LYS 322 Ca -0.06 1.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 3abu s LYS 322 Cb -0.14 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 3abu s LYS 322 CO -0.02 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3abu n GLY 323 N 4.58 3.23 0.85 5.54 0.00 -1.26 0.05 105.19 118.19 3abu n GLY 323 Ca -0.16 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.72 3abu n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3abu n ASN 324 N 2.96 2.52 -4.71 1.61 3.02 -1.26 -4.90 115.26 114.49 3abu n ASN 324 Ca 0.00 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 3abu n ASN 324 Cb 0.00 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 3abu n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3abu s TYR 325 N -1.56 3.53 -0.03 3.10 2.02 0.11 -4.40 117.35 120.11 3abu s TYR 325 Ca 0.34 1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 58.51 3abu s TYR 325 Cb 0.19 -3.27 0.01 0.00 -0.40 0.00 0.00 41.96 38.49 3abu s TYR 325 CO 0.27 -0.66 0.08 0.08 -1.57 0.00 0.00 175.55 173.74 3abu s VAL 326 N 1.14 -0.01 -0.28 0.71 1.01 -1.25 -1.56 120.40 120.15 3abu s VAL 326 Ca 0.55 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.34 3abu s VAL 326 Cb -0.25 -0.12 0.12 0.00 0.00 0.00 0.00 36.38 36.13 3abu s VAL 326 CO 0.28 0.02 1.02 0.00 0.00 0.00 0.00 175.10 176.42 3abu s ALA 327 N 0.32 -2.00 -0.28 5.51 0.00 -0.89 -4.84 121.76 119.58 3abu s ALA 327 Ca -0.02 1.92 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 3abu s ALA 327 Cb -0.03 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 3abu s ALA 327 CO -0.01 -0.25 0.49 -0.51 0.00 0.00 0.00 175.76 175.48 3abu s ASP 328 N 0.35 6.38 0.26 0.00 1.01 -1.26 -0.02 116.67 123.39 3abu s ASP 328 Ca 0.02 0.36 0.23 0.00 0.71 0.00 0.00 52.55 53.87 3abu s ASP 328 Cb -0.05 -2.27 0.26 0.00 1.01 0.00 0.00 42.92 41.88 3abu s ASP 328 CO -0.07 -0.31 1.35 -0.07 0.21 0.00 0.00 175.17 176.28 3abu h LEU 329 N 8.82 0.00 0.00 1.23 -0.00 -1.56 -3.46 115.31 120.33 3abu h LEU 329 Ca -0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 3abu h LEU 329 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 3abu h LEU 329 CO 0.71 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.79 3abu n GLY 330 N 1.20 1.39 3.72 0.83 0.00 -1.18 -4.73 105.19 106.42 3abu n GLY 330 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3abu n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abu s ALA 331 N -2.55 2.11 0.00 4.61 0.00 -1.04 -4.91 121.76 119.98 3abu s ALA 331 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3abu s ALA 331 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3abu s ALA 331 CO 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 175.76 173.87 3abu n MET 332 N -2.78 3.49 -4.16 0.00 3.85 -1.26 -4.78 117.12 111.49 3abu n MET 332 Ca 0.13 0.00 -0.34 0.00 -1.00 0.00 0.00 57.70 56.49 3abu n MET 332 Cb 0.50 -0.34 -0.08 0.00 -1.05 0.00 0.00 33.22 32.26 3abu n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3abu s VAL 333 N -0.14 4.67 -0.22 3.17 1.01 -1.26 -2.52 120.40 125.11 3abu s VAL 333 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 3abu s VAL 333 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3abu s VAL 333 CO 0.00 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 174.78 3abu s VAL 334 N -1.09 3.00 -0.77 2.92 1.01 0.28 -4.95 120.40 120.81 3abu s VAL 334 Ca 0.19 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 3abu s VAL 334 Cb -0.12 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.00 3abu s VAL 334 CO 0.09 0.41 0.97 0.42 0.00 0.00 0.00 175.10 176.99 3abu s THR 335 N 1.41 4.66 -0.02 3.92 -4.23 -1.26 -0.37 115.64 119.75 3abu s THR 335 Ca 0.05 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3abu s THR 335 Cb -0.14 -4.67 0.01 0.00 1.34 0.00 0.00 72.50 69.03 3abu s THR 335 CO -0.06 -1.39 0.04 0.61 -0.54 0.00 0.00 174.62 173.29 3abu n GLY 336 N 5.32 -3.12 0.38 3.99 0.00 -1.17 -4.58 105.19 106.01 3abu n GLY 336 Ca 0.07 0.33 0.19 0.00 0.00 0.00 0.00 46.02 46.62 3abu n GLY 336 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3abu h LEU 337 N 4.29 0.10 -8.47 0.99 3.38 -1.78 -3.39 115.31 110.44 3abu h LEU 337 Ca -0.09 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 3abu h LEU 337 Cb 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3abu h LEU 337 CO 0.00 0.06 1.62 0.61 0.09 0.00 0.00 178.44 180.81 3abu n GLY 338 N -1.61 0.13 2.10 0.83 0.00 -0.27 -0.20 105.19 106.17 3abu n GLY 338 Ca 0.11 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.97 3abu n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abu n GLY 339 N 6.22 0.65 3.61 -0.02 0.00 -1.26 -2.76 105.19 111.63 3abu n GLY 339 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 3abu n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3abu s ASN 340 N -2.26 6.52 0.53 1.61 3.84 0.73 -4.48 114.94 121.43 3abu s ASN 340 Ca 0.00 0.53 0.22 0.00 0.21 0.00 0.00 52.86 53.81 3abu s ASN 340 Cb 0.00 -2.33 1.36 0.00 -0.55 0.00 0.00 41.25 39.73 3abu s ASN 340 CO 0.00 -0.44 2.07 1.55 -2.79 0.00 0.00 177.10 177.49 3abu h PRO 341 N 8.08 0.00 0.00 0.43 0.13 -1.86 -0.38 132.00 138.40 3abu h PRO 341 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3abu h PRO 341 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3abu h PRO 341 CO 0.79 0.00 -0.02 0.52 -0.23 0.00 0.00 178.00 179.06 3abu h MET 342 N 0.00 0.00 -0.40 0.86 2.86 -1.93 -2.09 114.93 114.23 3abu h MET 342 Ca 0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 3abu h MET 342 Cb 0.55 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3abu h MET 342 CO -0.00 0.02 0.19 0.00 1.06 0.00 0.00 176.91 178.18 3abu h ALA 343 N 1.98 0.49 0.94 6.32 0.00 -1.36 1.41 119.26 129.05 3abu h ALA 343 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3abu h ALA 343 Cb 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3abu h ALA 343 CO 0.00 -0.17 -0.45 0.28 0.00 0.00 0.00 179.25 178.90 3abu h VAL 344 N 0.39 0.00 -0.96 0.00 2.07 -1.54 -2.31 116.25 113.90 3abu h VAL 344 Ca 0.17 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 67.87 3abu h VAL 344 Cb 0.09 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.75 3abu h VAL 344 CO -0.13 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.59 3abu h VAL 345 N -1.29 0.64 -0.39 2.57 2.07 -1.29 0.45 116.25 119.00 3abu h VAL 345 Ca -0.13 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3abu h VAL 345 Cb 0.97 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 3abu h VAL 345 CO 0.21 0.12 0.04 -1.28 0.02 0.00 0.00 177.57 176.68 3abu h SER 346 N 0.65 -0.08 -0.16 0.57 0.87 0.22 -1.15 113.55 114.46 3abu h SER 346 Ca 0.57 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 61.16 3abu h SER 346 Cb 0.96 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 3abu h SER 346 CO -0.42 -0.01 -0.06 0.11 -0.53 0.00 0.00 176.83 175.92 3abu h LYS 347 N 0.15 0.47 -0.09 2.24 1.57 0.37 -1.50 116.57 119.77 3abu h LYS 347 Ca 0.19 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3abu h LYS 347 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3abu h LYS 347 CO -0.29 0.54 -0.52 1.96 -0.57 0.00 0.00 179.45 180.57 3abu h GLN 348 N 0.44 0.26 -0.01 3.15 4.20 0.14 -3.29 115.11 120.01 3abu h GLN 348 Ca 0.09 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3abu h GLN 348 Cb 0.39 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3abu h GLN 348 CO 0.02 0.72 -0.28 1.33 -0.67 0.00 0.00 178.83 179.95 3abu n VAL 349 N -3.94 0.00 -3.02 -0.54 0.24 -0.61 -4.93 118.33 105.53 3abu n VAL 349 Ca -0.02 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 3abu n VAL 349 Cb 0.56 1.20 0.06 0.00 -1.47 0.00 0.00 33.84 34.19 3abu n VAL 349 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3abu n ASN 350 N -0.03 -3.53 -4.62 -1.34 5.03 -0.63 -4.96 115.26 105.18 3abu n ASN 350 Ca 0.07 -0.52 -0.40 0.00 0.87 0.00 0.00 54.58 54.60 3abu n ASN 350 Cb 0.33 -4.16 -0.08 0.00 -1.02 0.00 0.00 39.78 34.86 3abu n ASN 350 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3abu s MET 351 N -4.66 4.06 -0.70 3.52 0.23 -0.81 -5.00 119.30 115.94 3abu s MET 351 Ca 0.15 0.32 -0.26 0.00 -1.03 0.00 0.00 55.69 54.87 3abu s MET 351 Cb -0.02 -3.66 -0.01 0.00 -1.53 0.00 0.00 34.83 29.61 3abu s MET 351 CO 0.58 -0.36 1.74 -2.00 -2.03 0.00 0.00 175.02 172.95 3abu s GLU 352 N 2.32 2.77 -0.06 3.16 2.12 -1.26 -4.88 118.70 122.88 3abu s GLU 352 Ca 0.21 0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 3abu s GLU 352 Cb -0.16 -4.49 -0.04 0.00 0.26 0.00 0.00 34.13 29.70 3abu s GLU 352 CO 0.09 -2.69 0.18 -0.51 -0.54 0.00 0.00 175.26 171.79 3abu s LEU 353 N 8.40 4.38 -0.08 2.70 1.43 -1.26 -0.71 118.68 133.55 3abu s LEU 353 Ca 0.60 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3abu s LEU 353 Cb -0.10 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.78 3abu s LEU 353 CO 0.15 0.33 -0.01 0.00 0.23 0.00 0.00 176.35 177.05 3abu s ALA 354 N -1.18 0.79 0.97 4.21 0.00 0.15 -4.90 121.76 121.81 3abu s ALA 354 Ca 0.21 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 3abu s ALA 354 Cb -0.13 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 3abu s ALA 354 CO 0.11 -0.42 0.07 1.63 0.00 0.00 0.00 175.76 177.15 3abu n LYS 355 N 5.05 -0.24 -3.73 0.00 5.02 -1.26 -0.54 118.16 122.45 3abu n LYS 355 Ca -0.09 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.79 3abu n LYS 355 Cb 0.50 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 3abu n LYS 355 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3abu s ILE 356 N -2.29 4.34 -0.02 -0.18 1.01 -0.72 -4.67 121.20 118.66 3abu s ILE 356 Ca 0.52 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3abu s ILE 356 Cb -0.20 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 3abu s ILE 356 CO 0.71 0.27 1.66 -0.54 0.00 0.00 0.00 174.94 177.05 3abu s LYS 357 N 1.61 4.19 0.49 2.79 1.02 -1.26 -4.90 119.74 123.67 3abu s LYS 357 Ca 0.06 2.24 0.24 0.00 0.02 0.00 0.00 55.97 58.53 3abu s LYS 357 Cb -0.16 -3.91 1.30 0.00 -0.52 0.00 0.00 37.83 34.55 3abu s LYS 357 CO 0.04 -0.82 1.91 1.96 -0.92 0.00 0.00 175.35 177.52 3abu h GLN 358 N 9.31 0.16 -5.88 1.68 4.20 -1.98 -3.42 115.11 119.18 3abu h GLN 358 Ca -0.41 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 57.69 3abu h GLN 358 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3abu h GLN 358 CO 0.95 0.10 1.50 1.17 -0.67 0.00 0.00 178.83 181.87 3abu n LYS 359 N -4.39 1.30 -3.81 1.46 4.81 -1.26 -4.90 118.16 111.38 3abu n LYS 359 Ca 0.16 0.31 -0.30 0.00 -0.87 0.00 0.00 58.31 57.61 3abu n LYS 359 Cb 0.76 -2.81 -0.14 0.00 0.02 0.00 0.00 35.03 32.86 3abu n LYS 359 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3abu s PRO 361 N 0.47 4.40 -0.03 0.00 0.04 -1.26 -4.67 135.00 133.96 3abu s PRO 361 Ca 0.15 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 3abu s PRO 361 Cb -0.23 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 3abu s PRO 361 CO -0.05 -0.27 0.22 -0.51 0.04 0.00 0.00 177.00 176.44 3abu s LEU 362 N 0.37 4.38 -0.05 -3.56 1.02 -1.26 -0.69 118.68 118.89 3abu s LEU 362 Ca 0.58 0.50 0.02 0.00 0.02 0.00 0.00 54.13 55.26 3abu s LEU 362 Cb -0.35 -2.50 0.01 0.00 0.02 0.00 0.00 46.19 43.38 3abu s LEU 362 CO 0.34 0.30 -0.11 -0.31 0.02 0.00 0.00 176.35 176.59 3abu s TYR 363 N -1.22 1.28 1.22 0.29 1.51 -0.61 -1.68 117.35 118.14 3abu s TYR 363 Ca 0.24 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.69 3abu s TYR 363 Cb -0.13 -0.94 0.29 0.00 -0.11 0.00 0.00 41.96 41.07 3abu s TYR 363 CO 0.13 -0.22 1.06 -1.21 -1.11 0.00 0.00 175.55 174.21 3abu s GLU 364 N 0.55 -1.35 0.38 -0.62 2.02 -0.24 -1.16 118.70 118.29 3abu s GLU 364 Ca -0.11 0.12 0.10 0.00 0.02 0.00 0.00 54.97 55.10 3abu s GLU 364 Cb -0.14 -1.56 0.86 0.00 0.10 0.00 0.00 34.13 33.38 3abu s GLU 364 CO 0.02 -3.83 1.93 0.00 0.02 0.00 0.00 175.26 173.40 3abu h ALA 365 N -2.67 1.86 0.00 5.21 0.00 -1.83 -0.60 119.26 121.23 3abu h ALA 365 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3abu h ALA 365 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3abu h ALA 365 CO 0.38 -0.03 0.00 -2.95 0.00 0.00 0.00 179.25 176.65 3abu h ASN 366 N 0.63 0.00 0.00 0.00 7.08 -1.91 -3.48 115.58 117.90 3abu h ASN 366 Ca 0.36 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.58 3abu h ASN 366 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 3abu h ASN 366 CO -0.13 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.83 3abu n GLY 367 N 0.90 2.37 3.81 9.14 0.00 -0.23 -4.85 105.19 116.31 3abu n GLY 367 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3abu n GLY 367 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3abu s GLN 368 N -0.18 4.10 1.33 1.61 -2.07 -1.26 -4.48 119.66 118.71 3abu s GLN 368 Ca 0.00 1.25 -0.21 0.00 -1.82 0.00 0.00 55.36 54.58 3abu s GLN 368 Cb 0.00 -2.22 0.33 0.00 -1.09 0.00 0.00 33.01 30.03 3abu s GLN 368 CO 0.00 -0.15 1.00 0.00 -1.32 0.00 0.00 175.29 174.81 3abu s ALA 369 N -2.03 -0.26 -0.27 2.60 0.00 -1.26 -1.08 121.76 119.46 3abu s ALA 369 Ca 0.63 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3abu s ALA 369 Cb -0.13 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.09 3abu s ALA 369 CO 0.17 -4.20 -0.05 0.08 0.00 0.00 0.00 175.76 171.77 3abu s VAL 370 N -2.54 2.73 0.05 0.00 1.01 -0.67 -4.65 120.40 116.33 3abu s VAL 370 Ca 0.69 -1.34 -0.37 0.00 0.00 0.00 0.00 61.98 60.96 3abu s VAL 370 Cb -0.13 -2.52 -0.19 0.00 0.00 0.00 0.00 36.38 33.54 3abu s VAL 370 CO 0.58 0.01 1.01 -2.65 0.00 0.00 0.00 175.10 174.04 3abu n PRO 371 N 4.59 0.18 -0.29 2.72 -0.02 -1.26 -4.60 135.00 136.31 3abu n PRO 371 Ca -0.14 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.49 3abu n PRO 371 Cb 0.44 -1.49 0.19 0.00 -0.02 0.00 0.00 33.50 32.62 3abu n PRO 371 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3abu n LYS 372 N 1.52 -0.07 0.01 -0.52 4.81 -1.26 -1.50 118.16 121.15 3abu n LYS 372 Ca 0.19 1.26 -0.06 0.00 -0.87 0.00 0.00 58.31 58.83 3abu n LYS 372 Cb 0.13 -1.95 -0.04 0.00 0.02 0.00 0.00 35.03 33.19 3abu n LYS 372 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3abu h GLU 373 N 0.00 -0.23 -0.31 1.64 5.08 -2.00 -2.43 114.58 116.33 3abu h GLU 373 Ca 0.45 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.89 3abu h GLU 373 Cb 0.84 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 3abu h GLU 373 CO -0.81 -0.15 -0.03 0.87 -1.00 0.00 0.00 179.01 177.89 3abu h LYS 374 N -0.24 0.06 -0.80 2.33 1.57 -1.60 0.18 116.57 118.07 3abu h LYS 374 Ca 0.01 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3abu h LYS 374 Cb 0.26 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.41 3abu h LYS 374 CO -0.15 0.04 -0.20 0.22 -0.57 0.00 0.00 179.45 178.78 3abu h ASP 375 N 0.06 -0.76 -0.43 0.86 1.82 -1.34 0.34 116.42 116.97 3abu h ASP 375 Ca 0.15 0.24 -0.14 0.00 -0.39 0.00 0.00 57.03 56.89 3abu h ASP 375 Cb 0.21 0.50 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 3abu h ASP 375 CO -0.27 -0.27 -0.28 -0.33 -1.61 0.00 0.00 179.24 176.48 3abu h GLU 376 N -0.00 0.97 0.74 0.28 5.08 -0.87 -1.68 114.58 119.10 3abu h GLU 376 Ca 0.38 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3abu h GLU 376 Cb 0.58 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3abu h GLU 376 CO -0.82 1.12 -0.36 1.98 -1.00 0.00 0.00 179.01 179.93 3abu h MET 377 N 0.82 -0.96 -0.93 2.33 4.05 0.15 0.18 114.93 120.56 3abu h MET 377 Ca 0.09 0.07 0.14 0.00 -0.28 0.00 0.00 59.70 59.71 3abu h MET 377 Cb 0.87 0.22 -0.08 0.00 -0.80 0.00 0.00 31.60 31.81 3abu h MET 377 CO 0.08 -0.64 0.60 0.28 0.23 0.00 0.00 176.91 177.45 3abu h VAL 378 N -1.09 0.86 -0.51 -5.77 2.07 -0.62 0.83 116.25 112.02 3abu h VAL 378 Ca -0.10 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3abu h VAL 378 Cb 0.77 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3abu h VAL 378 CO 0.17 0.15 -0.03 -0.08 0.02 0.00 0.00 177.57 177.79 3abu h GLU 379 N 0.80 0.93 -0.76 1.57 4.81 -1.19 0.89 114.58 121.62 3abu h GLU 379 Ca 0.47 -0.31 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3abu h GLU 379 Cb 0.65 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3abu h GLU 379 CO -0.23 0.96 0.49 0.37 -0.73 0.00 0.00 179.01 179.87 3abu h GLN 380 N 0.79 0.95 -0.61 1.92 4.15 0.16 -0.77 115.11 121.70 3abu h GLN 380 Ca 0.14 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 3abu h GLN 380 Cb 0.57 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3abu h GLN 380 CO 0.03 0.63 0.14 0.93 -1.93 0.00 0.00 178.83 178.63 3abu h GLU 381 N 0.98 0.96 -0.73 1.69 4.39 -0.54 -1.79 114.58 119.53 3abu h GLU 381 Ca 0.29 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.82 3abu h GLU 381 Cb -0.04 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 3abu h GLU 381 CO -0.09 0.87 0.45 0.35 -1.16 0.00 0.00 179.01 179.43 3abu h PHE 382 N 0.92 0.84 -0.34 4.33 3.57 0.57 -0.74 116.94 126.09 3abu h PHE 382 Ca 0.19 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 3abu h PHE 382 Cb 0.35 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3abu h PHE 382 CO 0.02 0.46 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.43 3abu h ASN 383 N 0.86 0.79 -0.45 0.41 2.35 -0.94 -2.47 115.58 116.13 3abu h ASN 383 Ca 0.31 -0.43 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3abu h ASN 383 Cb 0.07 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 3abu h ASN 383 CO -0.13 1.05 0.11 0.03 -1.65 0.00 0.00 177.43 176.84 3abu h ARG 384 N 0.53 0.25 0.00 0.81 3.08 -0.84 0.13 114.38 118.35 3abu h ARG 384 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3abu h ARG 384 Cb 0.78 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3abu h ARG 384 CO 0.06 0.17 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.00 3abu h LEU 385 N 0.26 -0.16 -0.66 3.04 -0.00 -1.04 0.95 115.31 117.70 3abu h LEU 385 Ca 0.22 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 58.16 3abu h LEU 385 Cb 0.26 0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 3abu h LEU 385 CO -0.27 -0.08 0.40 -0.07 -0.00 0.00 0.00 178.44 178.42 3abu h LEU 386 N -0.10 0.65 -0.57 1.67 3.38 -0.93 -1.13 115.31 118.27 3abu h LEU 386 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3abu h LEU 386 Cb 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3abu h LEU 386 CO -0.06 0.44 0.31 -0.08 0.09 0.00 0.00 178.44 179.15 3abu h GLU 387 N 0.78 0.59 -0.64 1.13 4.22 -0.28 -1.20 114.58 119.18 3abu h GLU 387 Ca 0.27 -0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.74 3abu h GLU 387 Cb 0.06 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 3abu h GLU 387 CO -0.12 0.39 0.34 0.00 -2.18 0.00 0.00 179.01 177.43 3abu h ALA 388 N 1.29 0.85 0.00 2.92 0.00 0.34 -0.27 119.26 124.39 3abu h ALA 388 Ca 0.25 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3abu h ALA 388 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3abu h ALA 388 CO -0.15 -0.01 -0.45 1.79 0.00 0.00 0.00 179.25 180.44 3abu h THR 389 N 0.62 1.28 -0.28 0.00 1.35 -0.74 -0.21 112.91 114.93 3abu h THR 389 Ca 0.29 -1.55 -0.15 0.00 -0.55 0.00 0.00 66.41 64.45 3abu h THR 389 Cb 0.21 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3abu h THR 389 CO -0.20 0.44 -0.41 -1.28 -0.25 0.00 0.00 175.52 173.82 3abu h SER 390 N 0.00 0.85 0.41 5.36 0.87 -0.06 -0.96 113.55 120.01 3abu h SER 390 Ca -0.00 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 3abu h SER 390 Cb 0.81 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3abu h SER 390 CO 0.06 1.19 -0.20 0.22 -0.53 0.00 0.00 176.83 177.58 3abu h TYR 391 N 0.53 -0.51 -1.02 2.24 3.20 -0.88 0.11 116.97 120.64 3abu h TYR 391 Ca 0.03 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.16 3abu h TYR 391 Cb 1.01 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 3abu h TYR 391 CO 0.08 -0.22 0.70 1.25 -1.64 0.00 0.00 178.16 178.33 3abu h LEU 392 N -0.74 0.19 0.00 2.82 5.85 -1.00 -2.08 115.31 120.35 3abu h LEU 392 Ca -0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3abu h LEU 392 Cb 0.52 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3abu h LEU 392 CO 0.09 0.05 -0.42 -1.28 -0.34 0.00 0.00 178.44 176.54 3abu h SER 393 N 0.18 0.00 -1.19 1.25 0.87 -0.82 -0.96 113.55 112.88 3abu h SER 393 Ca 0.52 -0.13 -0.63 0.00 -1.23 0.00 0.00 61.79 60.32 3abu h SER 393 Cb 1.72 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 63.44 3abu h SER 393 CO -0.12 0.79 0.80 1.41 -0.53 0.00 0.00 176.83 179.18 3abu n HIS 394 N -4.64 2.71 0.00 2.24 8.25 0.34 -2.67 115.22 121.44 3abu n HIS 394 Ca -0.08 -2.55 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 3abu n HIS 394 Cb 0.26 -1.30 0.00 0.00 1.12 0.00 0.00 29.99 30.07 3abu n HIS 394 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3abu n GLN 395 N -0.41 0.00 -0.15 -0.41 -0.06 -0.79 -4.89 117.38 110.67 3abu n GLN 395 Ca 0.54 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.62 3abu n GLN 395 Cb 0.52 -0.00 0.16 0.00 -4.06 0.00 0.00 30.24 26.86 3abu n GLN 395 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3abu n LEU 396 N -2.31 2.94 -4.28 1.69 4.77 -1.16 -5.00 117.00 113.65 3abu n LEU 396 Ca 0.00 -1.55 -0.32 0.00 -0.03 0.00 0.00 56.01 54.11 3abu n LEU 396 Cb 0.00 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 3abu n LEU 396 CO 0.00 0.66 -0.39 -0.67 -1.33 0.00 0.00 177.39 175.66 3abu n ASP 397 N 0.99 0.29 -3.27 -1.43 2.03 -1.09 -4.81 116.55 109.25 3abu n ASP 397 Ca 0.14 -1.22 -0.37 0.00 0.52 0.00 0.00 54.79 53.86 3abu n ASP 397 Cb 0.47 -1.88 -0.02 0.00 -0.72 0.00 0.00 41.12 38.97 3abu n ASP 397 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3abu n PHE 398 N -4.49 2.35 0.98 -0.67 7.35 -0.37 -4.57 117.46 118.04 3abu n PHE 398 Ca -0.26 -2.69 0.12 0.00 -0.76 0.00 0.00 57.45 53.85 3abu n PHE 398 Cb 0.66 -1.85 0.09 0.00 0.35 0.00 0.00 39.48 38.73 3abu n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3abu n ASN 399 N 1.88 2.92 -3.80 -2.13 3.02 -1.26 -4.75 115.26 111.14 3abu n ASN 399 Ca 0.62 -1.96 -0.13 0.00 -0.03 0.00 0.00 54.58 53.09 3abu n ASN 399 Cb 0.31 0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.38 3abu n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3abu s VAL 400 N -1.99 0.00 -0.08 2.41 1.01 -1.26 -2.97 120.40 117.52 3abu s VAL 400 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3abu s VAL 400 Cb 0.20 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.32 3abu s VAL 400 CO 0.31 -0.02 0.17 -0.22 0.00 0.00 0.00 175.10 175.34 3abu s LEU 401 N 0.04 0.50 -1.45 3.92 2.96 -0.45 -4.84 118.68 119.36 3abu s LEU 401 Ca -0.01 0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 3abu s LEU 401 Cb -0.02 0.44 0.05 0.00 0.50 0.00 0.00 46.19 47.17 3abu s LEU 401 CO 0.00 -0.17 0.76 0.59 -1.32 0.00 0.00 176.35 176.22 3abu n ASN 402 N 4.42 -5.02 0.00 3.68 4.13 -1.26 -0.98 115.26 120.23 3abu n ASN 402 Ca -0.22 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.52 3abu n ASN 402 Cb 0.52 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 3abu n ASN 402 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3abu n ASN 403 N -2.61 0.00 -4.88 6.41 3.02 -1.26 -4.95 115.26 110.98 3abu n ASN 403 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 3abu n ASN 403 Cb 0.56 -1.02 -0.05 0.00 -0.61 0.00 0.00 39.78 38.66 3abu n ASN 403 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3abu s LYS 404 N -0.09 3.70 0.48 3.52 1.02 -0.15 -5.06 119.74 123.15 3abu s LYS 404 Ca 0.00 0.08 -0.22 0.00 0.02 0.00 0.00 55.97 55.85 3abu s LYS 404 Cb 0.00 -2.90 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 3abu s LYS 404 CO 0.00 0.50 1.15 -2.14 -0.92 0.00 0.00 175.35 173.94 3abu s PRO 405 N -2.29 3.68 -0.14 -1.68 0.02 -1.26 -1.35 135.00 131.99 3abu s PRO 405 Ca 0.37 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 62.88 3abu s PRO 405 Cb -0.13 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.05 3abu s PRO 405 CO 0.21 -0.60 0.74 0.08 -0.33 0.00 0.00 177.00 177.09 3abu s VAL 406 N -1.61 4.97 0.64 3.83 1.01 -1.16 -4.82 120.40 123.27 3abu s VAL 406 Ca 0.65 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 64.02 3abu s VAL 406 Cb -0.27 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3abu s VAL 406 CO 0.32 0.13 0.98 -0.94 0.00 0.00 0.00 175.10 175.59 3abu s SER 407 N 1.04 5.39 0.11 3.32 1.04 -1.26 -1.17 113.70 122.17 3abu s SER 407 Ca 0.36 0.77 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 3abu s SER 407 Cb -0.17 -1.65 -0.05 0.00 0.10 0.00 0.00 66.02 64.25 3abu s SER 407 CO 0.14 -1.25 1.50 0.25 0.98 0.00 0.00 173.24 174.87 3abu h LEU 408 N -0.39 0.66 -1.38 2.42 5.85 -1.39 -2.26 115.31 118.81 3abu h LEU 408 Ca -0.45 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 57.85 3abu h LEU 408 Cb 1.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3abu h LEU 408 CO 0.62 0.88 -0.09 1.23 -0.34 0.00 0.00 178.44 180.73 3abu h GLY 409 N 0.43 0.32 0.92 3.75 0.00 -1.74 0.18 103.07 106.93 3abu h GLY 409 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3abu h GLY 409 CO 0.03 0.18 -0.21 -1.61 0.00 0.00 0.00 176.54 174.93 3abu h GLN 410 N 0.28 -0.53 0.11 4.80 4.15 -1.78 0.65 115.11 122.80 3abu h GLN 410 Ca 0.06 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.53 3abu h GLN 410 Cb 0.35 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 3abu h GLN 410 CO 0.02 -0.35 -0.23 0.00 -1.93 0.00 0.00 178.83 176.33 3abu h ALA 411 N 0.07 -0.39 -0.61 3.38 0.00 -0.79 -1.55 119.26 119.37 3abu h ALA 411 Ca -0.04 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3abu h ALA 411 Cb 0.45 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 3abu h ALA 411 CO 0.05 -0.76 0.10 -0.07 0.00 0.00 0.00 179.25 178.57 3abu h LEU 412 N -0.43 -0.06 -1.06 0.00 3.38 -0.79 0.70 115.31 117.05 3abu h LEU 412 Ca 0.03 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3abu h LEU 412 Cb 0.46 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3abu h LEU 412 CO -0.14 -0.02 0.26 -0.33 0.09 0.00 0.00 178.44 178.30 3abu h GLU 413 N 0.23 0.93 -0.29 1.13 4.39 -0.41 0.46 114.58 121.02 3abu h GLU 413 Ca 0.32 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 3abu h GLU 413 Cb 0.50 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3abu h GLU 413 CO -0.44 0.76 -0.20 0.28 -1.16 0.00 0.00 179.01 178.25 3abu h VAL 414 N 0.92 1.30 -0.01 3.13 2.07 0.03 -1.05 116.25 122.64 3abu h VAL 414 Ca 0.22 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3abu h VAL 414 Cb 0.17 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3abu h VAL 414 CO -0.02 0.42 -0.25 0.58 0.02 0.00 0.00 177.57 178.32 3abu h VAL 415 N 0.39 1.19 -0.08 2.57 2.07 0.83 -1.62 116.25 121.60 3abu h VAL 415 Ca 0.06 -0.89 -0.22 0.00 0.82 0.00 0.00 66.70 66.47 3abu h VAL 415 Cb 0.74 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3abu h VAL 415 CO 0.05 0.25 -0.84 0.40 0.02 0.00 0.00 177.57 177.46 3abu h ILE 416 N 0.02 1.33 -0.11 4.57 1.08 -0.71 -2.65 117.51 121.03 3abu h ILE 416 Ca 0.00 -2.15 0.02 0.00 -0.39 0.00 0.00 64.86 62.34 3abu h ILE 416 Cb 0.46 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 3abu h ILE 416 CO 0.03 0.66 -0.02 1.56 -0.69 0.00 0.00 178.15 179.69 3abu h GLN 417 N 0.38 0.01 -0.50 2.37 4.20 -0.49 -0.90 115.11 120.18 3abu h GLN 417 Ca -0.06 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.69 3abu h GLN 417 Cb 1.46 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 3abu h GLN 417 CO 0.16 0.01 0.25 -0.07 -0.67 0.00 0.00 178.83 178.50 3abu h LEU 418 N 0.01 0.35 -1.23 1.46 3.38 -1.29 -1.40 115.31 116.58 3abu h LEU 418 Ca 0.05 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3abu h LEU 418 Cb 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3abu h LEU 418 CO -0.11 0.24 0.53 1.56 0.09 0.00 0.00 178.44 180.75 3abu h GLN 419 N 0.48 0.97 -0.50 1.13 1.08 -1.09 0.65 115.11 117.82 3abu h GLN 419 Ca 0.22 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 3abu h GLN 419 Cb 0.14 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3abu h GLN 419 CO -0.16 0.64 0.03 0.93 -0.95 0.00 0.00 178.83 179.31 3abu h GLU 420 N 1.00 0.82 0.18 1.46 5.08 -0.22 -2.54 114.58 120.36 3abu h GLU 420 Ca 0.32 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3abu h GLU 420 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3abu h GLU 420 CO -0.10 0.81 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.41 3abu h LYS 421 N 0.77 -0.24 -0.93 2.33 1.63 -0.20 -2.00 116.57 117.93 3abu h LYS 421 Ca 0.15 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.18 3abu h LYS 421 Cb 0.43 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.03 3abu h LYS 421 CO 0.02 0.11 0.61 1.25 -3.45 0.00 0.00 179.45 177.99 3abu h HIS 422 N -0.63 0.63 -0.01 1.91 2.76 -0.83 0.30 115.15 119.28 3abu h HIS 422 Ca -0.03 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3abu h HIS 422 Cb 0.46 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 3abu h HIS 422 CO 0.04 0.15 -0.01 0.28 -1.30 0.00 0.00 177.93 177.09 3abu h VAL 423 N 0.46 1.44 -0.88 5.26 2.07 -1.36 -2.27 116.25 120.97 3abu h VAL 423 Ca 0.50 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.81 3abu h VAL 423 Cb 1.16 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 33.18 3abu h VAL 423 CO -0.21 0.34 0.52 0.50 0.02 0.00 0.00 177.57 178.74 3abu h LYS 424 N -0.53 0.84 -0.80 1.57 3.64 -0.38 -1.36 116.57 119.54 3abu h LYS 424 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3abu h LYS 424 Cb 0.56 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3abu h LYS 424 CO 0.00 0.56 0.53 -0.44 -2.27 0.00 0.00 179.45 177.83 3abu h ASP 425 N 0.86 0.92 1.32 4.20 3.32 -0.40 -1.80 116.42 124.84 3abu h ASP 425 Ca 0.42 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3abu h ASP 425 Cb 0.38 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3abu h ASP 425 CO -0.25 0.67 0.00 -0.33 -1.72 0.00 0.00 179.24 177.61 3abu h GLU 426 N 1.09 0.00 0.02 3.56 5.08 -0.74 -2.68 114.58 120.92 3abu h GLU 426 Ca 0.29 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.39 3abu h GLU 426 Cb -0.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.14 3abu h GLU 426 CO -0.06 0.00 -1.05 0.37 -1.00 0.00 0.00 179.01 177.26 3abu h GLN 427 N 0.00 0.61 0.66 2.33 4.15 -0.54 -3.00 115.11 119.32 3abu h GLN 427 Ca 0.00 -0.68 -0.03 0.00 0.77 0.00 0.00 58.65 58.71 3abu h GLN 427 Cb 0.66 0.20 0.01 0.00 0.21 0.00 0.00 27.48 28.56 3abu h GLN 427 CO 0.00 1.28 -0.32 0.82 -1.93 0.00 0.00 178.83 178.68 3abu h ILE 428 N 0.33 0.00 -0.60 2.39 1.08 -1.11 0.44 117.51 120.04 3abu h ILE 428 Ca -0.13 -0.10 0.17 0.00 -0.39 0.00 0.00 64.86 64.42 3abu h ILE 428 Cb 1.70 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3abu h ILE 428 CO 0.20 0.00 0.71 -0.33 -0.69 0.00 0.00 178.15 178.04 3abu h GLU 429 N -0.99 0.00 0.12 2.37 5.08 -1.60 0.61 114.58 120.17 3abu h GLU 429 Ca -0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.05 3abu h GLU 429 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 3abu h GLU 429 CO 0.15 0.00 -1.06 1.25 -1.00 0.00 0.00 179.01 178.35 3abu h HIS 430 N 0.00 0.48 0.00 4.33 2.76 -1.33 -2.23 115.15 119.16 3abu h HIS 430 Ca 0.29 -0.35 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 3abu h HIS 430 Cb 1.71 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.65 3abu h HIS 430 CO 0.00 1.41 -0.09 -1.49 -1.30 0.00 0.00 177.93 176.46 3abu h TRP 431 N -0.38 0.00 -0.10 5.26 6.55 0.23 0.45 115.95 127.96 3abu h TRP 431 Ca -0.21 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.47 3abu h TRP 431 Cb 1.67 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.98 3abu h TRP 431 CO 0.17 0.09 -0.55 0.87 -1.05 0.00 0.00 178.44 177.97 3abu h LYS 432 N 0.00 0.56 -0.82 0.49 1.57 -0.47 -0.46 116.57 117.44 3abu h LYS 432 Ca -0.00 -0.46 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 3abu h LYS 432 Cb 0.16 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 3abu h LYS 432 CO 0.01 1.09 0.51 0.87 -0.57 0.00 0.00 179.45 181.36 3abu h LYS 433 N 0.17 0.95 0.10 3.15 1.57 -0.69 -0.45 116.57 121.37 3abu h LYS 433 Ca -0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3abu h LYS 433 Cb 1.20 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3abu h LYS 433 CO 0.11 0.63 -0.05 0.82 -0.57 0.00 0.00 179.45 180.39 3abu h ILE 434 N 0.98 0.00 -0.84 1.86 1.08 -0.81 -2.25 117.51 117.52 3abu h ILE 434 Ca 0.34 -0.01 0.20 0.00 -0.39 0.00 0.00 64.86 65.00 3abu h ILE 434 Cb 0.08 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.67 3abu h ILE 434 CO -0.14 0.00 -0.05 0.58 -0.69 0.00 0.00 178.15 177.85 3abu h VAL 435 N -0.14 0.21 -0.41 1.67 2.07 -0.97 0.76 116.25 119.43 3abu h VAL 435 Ca -0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3abu h VAL 435 Cb 0.10 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 3abu h VAL 435 CO 0.02 0.01 0.10 0.50 0.02 0.00 0.00 177.57 178.23 3abu h LYS 436 N 0.05 0.24 0.00 1.57 1.63 -1.10 0.13 116.57 119.08 3abu h LYS 436 Ca 0.46 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.22 3abu h LYS 436 Cb 0.82 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 3abu h LYS 436 CO -0.79 0.16 -0.10 1.15 -3.45 0.00 0.00 179.45 176.42 3abu h THR 437 N 0.24 0.52 0.00 1.00 2.02 -0.27 -0.90 112.91 115.52 3abu h THR 437 Ca 0.20 -0.47 -0.24 0.00 0.77 0.00 0.00 66.41 66.67 3abu h THR 437 Cb 0.22 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 3abu h THR 437 CO -0.24 0.10 -1.24 1.56 0.37 0.00 0.00 175.52 176.07 3abu h GLN 438 N 0.00 0.00 -0.05 6.66 4.20 0.31 -2.88 115.11 123.36 3abu h GLN 438 Ca -0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3abu h GLN 438 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3abu h GLN 438 CO 0.01 0.83 -0.08 0.93 -0.67 0.00 0.00 178.83 179.86 3abu h GLU 439 N 0.00 0.13 -0.71 1.46 5.08 -0.30 -1.88 114.58 118.37 3abu h GLU 439 Ca -0.10 -0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3abu h GLU 439 Cb 1.85 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.03 3abu h GLU 439 CO 0.11 0.64 0.30 0.93 -1.00 0.00 0.00 179.01 179.99 3abu h GLU 440 N -0.37 0.47 0.26 2.33 5.08 -1.27 -1.06 114.58 120.02 3abu h GLU 440 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3abu h GLU 440 Cb 0.63 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3abu h GLU 440 CO 0.02 0.31 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.14 3abu h LEU 441 N 0.48 -0.29 -1.99 1.33 3.38 -1.48 -0.39 115.31 116.34 3abu h LEU 441 Ca 0.37 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.39 3abu h LEU 441 Cb 0.49 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3abu h LEU 441 CO -0.34 -0.08 0.37 0.50 0.09 0.00 0.00 178.44 178.98 3abu h LYS 442 N -0.50 0.01 0.14 1.13 3.64 -0.73 0.77 116.57 121.04 3abu h LYS 442 Ca -0.04 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 3abu h LYS 442 Cb 0.37 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3abu h LYS 442 CO 0.06 0.01 -0.82 0.93 -2.27 0.00 0.00 179.45 177.36 3abu h GLU 443 N 0.01 0.31 -0.58 1.90 5.08 -0.99 -2.95 114.58 117.35 3abu h GLU 443 Ca 0.25 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3abu h GLU 443 Cb 0.98 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3abu h GLU 443 CO -0.01 1.25 0.24 1.25 -1.00 0.00 0.00 179.01 180.74 3abu h LEU 444 N -0.36 0.79 -1.27 1.33 7.12 -0.05 -1.90 115.31 120.97 3abu h LEU 444 Ca -0.14 -0.16 0.12 0.00 0.13 0.00 0.00 57.88 57.82 3abu h LEU 444 Cb 1.65 -0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 41.51 3abu h LEU 444 CO 0.15 0.73 0.56 -0.07 -0.13 0.00 0.00 178.44 179.69 3abu h LEU 445 N 0.80 0.70 0.47 2.25 4.07 0.45 -2.34 115.31 121.71 3abu h LEU 445 Ca 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 3abu h LEU 445 Cb 0.18 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3abu h LEU 445 CO -0.02 0.39 -0.23 -1.13 -1.08 0.00 0.00 178.44 176.38 3abu h ASN 446 N 0.76 -0.53 -0.71 -0.43 -0.73 -1.17 -2.40 115.58 110.38 3abu h ASN 446 Ca 0.42 0.02 0.20 0.00 1.87 0.00 0.00 56.30 58.81 3abu h ASN 446 Cb 0.55 0.14 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 3abu h ASN 446 CO -0.18 -0.25 0.55 0.07 -0.37 0.00 0.00 177.43 177.25 3abu h LYS 447 N -0.90 0.00 -0.60 6.67 2.10 -1.42 0.66 116.57 123.07 3abu h LYS 447 Ca -0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 3abu h LYS 447 Cb 0.48 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 3abu h LYS 447 CO 0.11 0.00 0.12 0.52 -2.00 0.00 0.00 179.45 178.19 3abu h MET 448 N 0.00 0.99 0.00 0.07 2.86 -1.34 -0.42 114.93 117.09 3abu h MET 448 Ca 0.34 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3abu h MET 448 Cb 1.43 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3abu h MET 448 CO -0.00 0.92 0.00 0.28 1.06 0.00 0.00 176.91 179.17 3abu h VAL 449 N 0.89 0.00 0.00 -2.22 2.07 0.83 -0.91 116.25 116.92 3abu h VAL 449 Ca 0.19 -0.29 -0.27 0.00 0.82 0.00 0.00 66.70 67.15 3abu h VAL 449 Cb 0.40 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3abu h VAL 449 CO 0.01 0.00 -1.64 0.78 0.02 0.00 0.00 177.57 176.74 3abu h ASN 450 N 0.00 0.00 1.34 0.57 -0.26 -0.62 -3.03 115.58 113.58 3abu h ASN 450 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 3abu h ASN 450 Cb 0.36 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3abu h ASN 450 CO 0.00 0.95 -0.32 0.25 -1.06 0.00 0.00 177.43 177.25 3abu h LEU 451 N 0.00 0.00 -0.07 1.61 5.85 -0.36 0.50 115.31 122.83 3abu h LEU 451 Ca -0.26 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3abu h LEU 451 Cb 1.95 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.98 3abu h LEU 451 CO 0.08 0.32 -0.09 0.11 -0.34 0.00 0.00 178.44 178.52 3abu h LYS 452 N 0.00 0.18 -0.83 1.25 1.79 -1.27 0.80 116.57 118.49 3abu h LYS 452 Ca -0.00 -0.10 0.05 0.00 -2.18 0.00 0.00 60.65 58.41 3abu h LYS 452 Cb 1.08 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.68 3abu h LYS 452 CO 0.04 0.65 0.52 1.49 -1.08 0.00 0.00 179.45 181.07 3abu h GLU 453 N -0.28 0.96 -0.56 3.15 4.57 -1.36 -1.02 114.58 120.04 3abu h GLU 453 Ca 0.01 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3abu h GLU 453 Cb 0.63 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3abu h GLU 453 CO 0.02 0.63 0.07 -0.22 -1.18 0.00 0.00 179.01 178.34 3abu h LYS 454 N 0.99 0.94 0.00 1.92 3.64 0.17 -2.49 116.57 121.74 3abu h LYS 454 Ca 0.35 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3abu h LYS 454 Cb 0.09 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3abu h LYS 454 CO -0.14 0.92 -0.11 0.82 -2.27 0.00 0.00 179.45 178.66 3abu h ILE 455 N 0.83 0.48 -0.00 2.00 5.03 0.06 -2.25 117.51 123.66 3abu h ILE 455 Ca 0.17 -0.52 -0.16 0.00 -0.12 0.00 0.00 64.86 64.23 3abu h ILE 455 Cb 0.44 1.35 -0.02 0.00 -3.03 0.00 0.00 36.82 35.57 3abu h ILE 455 CO 0.01 0.10 -0.74 0.11 -0.68 0.00 0.00 178.15 176.96 3abu h LYS 456 N 0.00 0.03 0.00 2.37 1.57 -0.75 -2.05 116.57 117.73 3abu h LYS 456 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3abu h LYS 456 Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3abu h LYS 456 CO 0.01 0.76 0.00 0.39 -0.57 0.00 0.00 179.45 180.04 3abu n GLU 457 N -3.67 0.31 -0.01 3.15 1.02 -0.85 -3.21 120.64 117.38 3abu n GLU 457 Ca -0.01 0.07 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 3abu n GLU 457 Cb 0.72 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3abu n GLU 457 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3abu n LEU 458 N -1.11 2.89 -1.66 -4.62 4.77 -1.01 -4.56 117.00 111.70 3abu n LEU 458 Ca 0.08 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3abu n LEU 458 Cb 0.06 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3abu n LEU 458 CO 0.08 0.52 0.91 1.41 -1.33 0.00 0.00 177.39 178.97 3abu n HIS 459 N -2.58 0.00 -3.58 -1.77 8.25 -0.80 -3.34 115.22 111.39 3abu n HIS 459 Ca -0.04 -0.88 -0.05 0.00 -0.26 0.00 0.00 57.72 56.49 3abu n HIS 459 Cb 0.54 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 3abu n HIS 459 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3abu s GLN 460 N 0.48 0.40 0.00 -0.41 -1.52 -1.24 -4.96 119.66 112.42 3abu s GLN 460 Ca 0.08 -0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 3abu s GLN 460 Cb 0.04 0.19 0.00 0.00 -0.22 0.00 0.00 33.01 33.01 3abu s GLN 460 CO 0.00 -0.17 0.00 0.94 -0.25 0.00 0.00 175.29 175.81 3abu n GLN 461 N -0.05 0.00 -1.67 2.91 7.27 -1.26 -4.81 117.38 119.76 3abu n GLN 461 Ca -0.02 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.67 3abu n GLN 461 Cb 0.59 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.21 3abu n GLN 461 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3abu s TYR 462 N 0.00 1.23 0.00 3.69 1.51 -1.21 -3.99 117.35 118.58 3abu s TYR 462 Ca 0.00 1.15 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 3abu s TYR 462 Cb 0.00 -3.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 3abu s TYR 462 CO 0.00 -2.88 0.00 1.17 -1.11 0.00 0.00 175.55 172.73 3abu n LYS 463 N 8.94 0.00 -3.61 -0.62 4.81 -1.26 -4.95 118.16 121.47 3abu n LYS 463 Ca 0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.69 3abu n LYS 463 Cb 0.52 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.48 3abu n LYS 463 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3abu s GLU 464 N 0.00 0.37 0.38 1.64 2.02 -1.26 -5.21 118.70 116.64 3abu s GLU 464 Ca 0.00 1.05 0.28 0.00 0.02 0.00 0.00 54.97 56.32 3abu s GLU 464 Cb 0.00 0.35 1.09 0.00 0.10 0.00 0.00 34.13 35.66 3abu s GLU 464 CO 0.00 -0.30 1.82 -0.84 0.02 0.00 0.00 175.26 175.96 3abu h ILE 474 N 6.14 0.00 -0.06 -1.63 3.07 -2.07 -3.48 117.51 119.49 3abu h ILE 474 Ca -0.17 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.85 3abu h ILE 474 Cb 1.11 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3abu h ILE 474 CO 0.14 0.00 0.00 0.41 -1.05 0.00 0.00 178.15 177.65 3abu n THR 475 N -2.61 0.06 0.06 0.16 -1.04 -1.26 -4.27 114.28 105.38 3abu n THR 475 Ca 0.02 -0.24 0.20 0.00 -2.04 0.00 0.00 64.05 61.99 3abu n THR 475 Cb 0.29 0.30 0.59 0.00 -1.82 0.00 0.00 70.33 69.69 3abu n THR 475 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3abu h ALA 476 N 4.18 2.24 0.00 2.41 0.00 -1.95 0.14 119.26 126.28 3abu h ALA 476 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3abu h ALA 476 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3abu h ALA 476 CO 0.00 -0.97 0.00 -1.91 0.00 0.00 0.00 179.25 176.37 3abu n GLU 477 N -3.31 0.12 0.00 0.00 2.13 -1.26 -0.36 120.64 117.96 3abu n GLU 477 Ca 0.10 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3abu n GLU 477 Cb 0.90 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.11 3abu n GLU 477 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3abu n PHE 478 N -1.14 0.00 0.14 4.31 7.35 0.47 -4.56 117.46 124.03 3abu n PHE 478 Ca 0.03 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.48 3abu n PHE 478 Cb 0.03 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.70 3abu n PHE 478 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3abu h LEU 479 N 0.00 0.81 -0.57 -2.13 5.85 -0.95 -1.41 115.31 116.91 3abu h LEU 479 Ca 0.00 -0.92 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 3abu h LEU 479 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3abu h LEU 479 CO 0.00 1.68 0.12 0.58 -0.34 0.00 0.00 178.44 180.48 3abu h VAL 480 N 0.08 1.25 -0.77 1.05 2.07 -0.98 0.21 116.25 119.16 3abu h VAL 480 Ca -0.25 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3abu h VAL 480 Cb 2.11 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3abu h VAL 480 CO 0.26 0.34 0.37 0.11 0.02 0.00 0.00 177.57 178.68 3abu h LYS 481 N 0.82 1.10 0.02 1.57 1.79 -1.70 0.25 116.57 120.42 3abu h LYS 481 Ca 0.17 -0.15 -0.21 0.00 -2.18 0.00 0.00 60.65 58.28 3abu h LYS 481 Cb 0.38 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 3abu h LYS 481 CO 0.01 0.85 -0.98 0.77 -1.08 0.00 0.00 179.45 179.02 3abu h SER 482 N 1.09 0.09 0.91 0.86 0.02 -0.91 -3.00 113.55 112.61 3abu h SER 482 Ca 0.27 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.90 3abu h SER 482 Cb 0.11 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3abu h SER 482 CO -0.03 1.01 -1.09 0.11 -1.14 0.00 0.00 176.83 175.69 3abu h LYS 483 N 0.02 0.03 0.12 3.45 1.79 -0.34 -3.13 116.57 118.51 3abu h LYS 483 Ca -0.03 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 3abu h LYS 483 Cb 1.69 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.36 3abu h LYS 483 CO 0.14 0.99 -0.06 1.25 -1.08 0.00 0.00 179.45 180.69 3abu h HIS 484 N 0.01 -0.15 0.00 -1.35 2.76 -0.56 0.26 115.15 116.13 3abu h HIS 484 Ca -0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3abu h HIS 484 Cb 1.81 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.82 3abu h HIS 484 CO 0.01 -0.09 0.21 2.89 -1.30 0.00 0.00 177.93 179.64 3abu n ARG 485 N -2.62 0.00 -0.04 5.26 1.85 -1.14 -0.69 116.66 119.29 3abu n ARG 485 Ca -0.02 0.24 -0.02 0.00 -1.00 0.00 0.00 57.85 57.05 3abu n ARG 485 Cb 0.06 -1.71 -0.01 0.00 -1.05 0.00 0.00 32.46 29.76 3abu n ARG 485 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3abu h ASP 486 N 0.00 0.00 -1.00 2.89 3.45 -1.45 -3.22 116.42 117.09 3abu h ASP 486 Ca 0.00 0.00 0.19 0.00 0.43 0.00 0.00 57.03 57.65 3abu h ASP 486 Cb 0.41 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.08 3abu h ASP 486 CO 0.00 0.37 0.61 0.25 -1.57 0.00 0.00 179.24 178.91 3abu h LEU 487 N -0.51 0.77 -0.02 1.55 6.46 0.11 -1.01 115.31 122.65 3abu h LEU 487 Ca 0.00 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3abu h LEU 487 Cb 0.24 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 3abu h LEU 487 CO 0.00 0.27 -0.00 0.71 -0.62 0.00 0.00 178.44 178.80 3abu h THR 488 N 0.74 1.26 -0.92 1.05 1.35 -1.11 -2.83 112.91 112.46 3abu h THR 488 Ca 0.58 -0.78 0.27 0.00 -0.55 0.00 0.00 66.41 65.93 3abu h THR 488 Cb 0.92 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 3abu h THR 488 CO -0.37 0.21 0.90 0.00 -0.25 0.00 0.00 175.52 176.01 3abu h ALA 489 N 0.69 2.77 -0.58 6.62 0.00 -1.19 0.80 119.26 128.36 3abu h ALA 489 Ca 0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3abu h ALA 489 Cb 0.33 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 3abu h ALA 489 CO 0.00 -1.38 0.33 1.28 0.00 0.00 0.00 179.25 179.48 3abu n LEU 490 N -3.62 5.12 0.00 0.00 4.77 -1.07 -3.20 117.00 119.00 3abu n LEU 490 Ca 0.20 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 3abu n LEU 490 Cb 1.20 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3abu n LEU 490 CO 0.29 0.77 -0.16 0.00 -1.33 0.00 0.00 177.39 176.96 3abu n LYS 492 N -1.05 0.82 0.02 0.00 4.81 -0.91 -1.86 118.16 119.99 3abu n LYS 492 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 3abu n LYS 492 Cb 0.16 -1.07 -0.01 0.00 0.02 0.00 0.00 35.03 34.14 3abu n LYS 492 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3abu n GLU 493 N -0.57 0.07 0.00 1.64 1.02 -1.20 -4.68 120.64 116.92 3abu n GLU 493 Ca 0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3abu n GLU 493 Cb 0.01 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3abu n GLU 493 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3abu n TYR 494 N -3.52 0.00 0.00 -0.32 4.19 -1.06 -2.44 117.16 114.02 3abu n TYR 494 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 3abu n TYR 494 Cb 0.18 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.56 3abu n TYR 494 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 3abu n ASP 495 N -1.84 0.00 0.11 2.98 5.68 -0.78 0.79 116.55 123.49 3abu n ASP 495 Ca 0.00 0.29 -0.18 0.00 -0.50 0.00 0.00 54.79 54.40 3abu n ASP 495 Cb 0.00 -0.29 -0.14 0.00 -1.14 0.00 0.00 41.12 39.55 3abu n ASP 495 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3abu h GLU 496 N 0.00 0.33 -0.04 0.11 4.57 -1.60 -3.26 114.58 114.70 3abu h GLU 496 Ca 0.00 -0.55 -0.21 0.00 -1.18 0.00 0.00 59.36 57.42 3abu h GLU 496 Cb 0.05 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3abu h GLU 496 CO 0.00 1.27 -0.85 -0.07 -1.18 0.00 0.00 179.01 178.17 3abu h LEU 497 N 0.09 0.52 -2.10 1.64 4.07 0.72 -2.65 115.31 117.60 3abu h LEU 497 Ca -0.16 -0.38 0.09 0.00 0.08 0.00 0.00 57.88 57.51 3abu h LEU 497 Cb 2.01 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.58 3abu h LEU 497 CO 0.22 1.16 0.32 0.00 -1.08 0.00 0.00 178.44 179.05 3abu h ALA 498 N 0.82 2.01 0.15 1.53 0.00 -1.49 0.36 119.26 122.63 3abu h ALA 498 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3abu h ALA 498 Cb 1.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3abu h ALA 498 CO 0.15 -0.48 -0.07 1.49 0.00 0.00 0.00 179.25 180.34 3abu h GLU 499 N 0.00 -0.20 -0.45 0.00 4.81 -1.52 -1.14 114.58 116.09 3abu h GLU 499 Ca 0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3abu h GLU 499 Cb 0.78 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3abu h GLU 499 CO -0.00 -0.13 0.00 0.25 -0.73 0.00 0.00 179.01 178.40 3abu n THR 500 N -3.74 0.00 -0.04 0.32 -2.24 -0.66 -1.13 114.28 106.79 3abu n THR 500 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3abu n THR 500 Cb 0.08 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 3abu n THR 500 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3abu n GLN 501 N 0.29 0.19 0.26 -0.78 7.27 0.12 -4.54 117.38 120.18 3abu n GLN 501 Ca 0.00 0.07 0.10 0.00 0.07 0.00 0.00 57.00 57.24 3abu n GLN 501 Cb 0.11 -0.90 0.68 0.00 2.41 0.00 0.00 30.24 32.54 3abu n GLN 501 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3abu h GLY 502 N -0.09 0.00 -0.26 1.69 0.00 0.20 0.61 103.07 105.22 3abu h GLY 502 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3abu h GLY 502 CO -0.11 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.71 3abu n LYS 503 N -4.15 0.84 0.00 4.80 4.76 -0.86 -1.19 118.16 122.36 3abu n LYS 503 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3abu n LYS 503 Cb 0.16 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 3abu n LYS 503 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3abu n LEU 504 N -0.35 2.53 0.17 -0.35 4.32 0.17 -4.21 117.00 119.28 3abu n LEU 504 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.01 3abu n LEU 504 Cb 0.05 0.00 0.30 0.00 -1.62 0.00 0.00 43.42 42.15 3abu n LEU 504 CO 0.00 0.42 0.64 -0.33 -1.22 0.00 0.00 177.39 176.90 3abu h GLU 505 N 0.00 0.00 -0.27 3.23 5.08 -1.29 0.75 114.58 122.07 3abu h GLU 505 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3abu h GLU 505 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3abu h GLU 505 CO 0.00 0.45 -0.40 1.49 -1.00 0.00 0.00 179.01 179.55 3abu h GLU 506 N 0.00 0.75 0.00 2.33 4.81 -1.41 0.13 114.58 121.18 3abu h GLU 506 Ca -0.00 -0.45 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 3abu h GLU 506 Cb 0.87 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3abu h GLU 506 CO 0.06 1.07 -0.63 -0.22 -0.73 0.00 0.00 179.01 178.56 3abu h LYS 507 N 0.49 0.00 0.00 1.92 3.64 -1.59 -3.00 116.57 118.04 3abu h LYS 507 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3abu h LYS 507 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3abu h LYS 507 CO 0.09 0.63 0.00 -0.11 -2.27 0.00 0.00 179.45 177.80 3abu n LEU 508 N -3.72 0.62 -0.54 5.20 7.94 0.25 -3.13 117.00 123.63 3abu n LEU 508 Ca -0.01 0.50 0.43 0.00 -1.11 0.00 0.00 56.01 55.83 3abu n LEU 508 Cb 0.64 -0.35 0.73 0.00 0.53 0.00 0.00 43.42 44.97 3abu n LEU 508 CO 0.42 -0.35 1.34 -0.61 -1.11 0.00 0.00 177.39 177.08 3abu h GLN 509 N 0.00 0.04 -0.47 1.96 4.15 -0.90 0.42 115.11 120.31 3abu h GLN 509 Ca 0.00 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3abu h GLN 509 Cb 0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3abu h GLN 509 CO 0.00 0.02 -0.12 1.49 -1.93 0.00 0.00 178.83 178.29 3abu h GLU 510 N 0.04 0.92 -0.08 1.69 4.22 -1.63 -2.91 114.58 116.83 3abu h GLU 510 Ca 0.85 -0.35 -0.12 0.00 0.08 0.00 0.00 59.36 59.81 3abu h GLU 510 Cb 3.04 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 32.24 3abu h GLU 510 CO -0.22 1.01 -0.43 -0.07 -2.18 0.00 0.00 179.01 177.11 3abu h LEU 511 N 0.76 0.51 0.00 1.64 4.07 -0.11 -2.32 115.31 119.87 3abu h LEU 511 Ca 0.12 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.42 3abu h LEU 511 Cb 0.67 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3abu h LEU 511 CO 0.05 1.09 0.00 -1.84 -1.08 0.00 0.00 178.44 176.66 3abu n GLU 512 N -4.32 0.14 -0.10 1.13 0.28 -0.91 -1.83 120.64 115.03 3abu n GLU 512 Ca -0.08 0.18 -0.11 0.00 -0.16 0.00 0.00 57.16 56.99 3abu n GLU 512 Cb 0.56 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.81 3abu n GLU 512 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3abu n ALA 513 N -1.25 1.55 -2.91 -1.84 0.00 -1.10 -4.67 120.51 110.28 3abu n ALA 513 Ca 0.04 -1.08 -0.34 0.00 0.00 0.00 0.00 53.44 52.06 3abu n ALA 513 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 3abu n ALA 513 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3abu n ASN 514 N -2.86 5.60 -4.82 0.00 4.13 -0.76 -5.06 115.26 111.50 3abu n ASN 514 Ca -0.33 -3.62 -0.33 0.00 1.68 0.00 0.00 54.58 51.98 3abu n ASN 514 Cb 1.01 -0.87 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 3abu n ASN 514 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 3abu s PRO 515 N -3.55 3.82 1.04 3.52 0.02 -1.21 -4.91 135.00 133.74 3abu s PRO 515 Ca 0.42 1.15 -0.18 0.00 0.02 0.00 0.00 61.00 62.42 3abu s PRO 515 Cb 0.20 -2.11 0.24 0.00 0.02 0.00 0.00 34.50 32.85 3abu s PRO 515 CO -0.09 -0.39 1.31 -2.14 -0.33 0.00 0.00 177.00 175.37 3abu s PRO 516 N -3.66 0.01 0.06 5.54 0.02 -1.26 -4.93 135.00 130.77 3abu s PRO 516 Ca 0.63 -0.47 -0.35 0.00 0.02 0.00 0.00 61.00 60.83 3abu s PRO 516 Cb -0.13 -1.78 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 3abu s PRO 516 CO 0.26 -2.83 1.59 0.43 -0.33 0.00 0.00 177.00 176.11 3abu n SER 517 N -4.05 2.73 0.04 2.53 7.64 -1.26 -4.86 113.62 116.39 3abu n SER 517 Ca 0.16 1.07 -0.02 0.00 1.01 0.00 0.00 58.87 61.09 3abu n SER 517 Cb 0.59 -1.33 0.23 0.00 -1.01 0.00 0.00 64.21 62.69 3abu n SER 517 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3abu h ASP 518 N 6.28 0.41 -5.15 6.43 3.58 -1.95 -3.46 116.42 122.55 3abu h ASP 518 Ca -0.46 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 56.77 3abu h ASP 518 Cb 1.28 -0.11 -0.14 0.00 1.72 0.00 0.00 39.33 42.09 3abu h ASP 518 CO 0.88 0.66 -0.31 0.68 -2.88 0.00 0.00 179.24 178.27 3abu s VAL 519 N -4.49 0.12 0.04 2.25 -7.23 -1.26 -4.93 120.40 104.91 3abu s VAL 519 Ca -0.06 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.76 3abu s VAL 519 Cb 0.14 -1.35 -0.17 0.00 0.56 0.00 0.00 36.38 35.56 3abu s VAL 519 CO 0.78 -0.56 1.48 0.22 -0.31 0.00 0.00 175.10 176.71 3abu h TYR 520 N 2.66 -0.31 -3.48 2.82 3.20 -1.88 -3.44 116.97 116.54 3abu h TYR 520 Ca -0.34 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.30 3abu h TYR 520 Cb 1.21 0.10 -0.29 0.00 1.54 0.00 0.00 36.73 39.30 3abu h TYR 520 CO 0.40 -0.07 -0.63 -0.51 -1.64 0.00 0.00 178.16 175.72 3abu s LEU 521 N -9.80 1.42 0.00 2.82 1.43 -1.26 -5.09 118.68 108.20 3abu s LEU 521 Ca -0.15 0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 3abu s LEU 521 Cb 0.04 0.25 0.30 0.00 0.03 0.00 0.00 46.19 46.81 3abu s LEU 521 CO 0.61 -0.07 0.92 -1.54 0.23 0.00 0.00 176.35 176.50 3abu n SER 522 N 3.42 -2.71 -0.09 2.29 3.41 -1.26 -4.67 113.62 114.01 3abu n SER 522 Ca -0.17 -0.99 -0.12 0.00 -0.26 0.00 0.00 58.87 57.33 3abu n SER 522 Cb 0.57 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 3abu n SER 522 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3abu h SER 523 N -2.90 0.48 0.38 4.04 0.87 -2.01 -1.57 113.55 112.84 3abu h SER 523 Ca -0.37 -0.35 -0.14 0.00 -1.23 0.00 0.00 61.79 59.70 3abu h SER 523 Cb 1.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 3abu h SER 523 CO 0.23 0.72 -0.61 0.03 -0.53 0.00 0.00 176.83 176.67 3abu h ARG 524 N 0.23 0.22 -0.61 2.24 3.08 -2.00 -2.82 114.38 114.72 3abu h ARG 524 Ca 0.07 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3abu h ARG 524 Cb 0.50 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3abu h ARG 524 CO 0.02 0.76 0.32 -0.44 -1.07 0.00 0.00 179.97 179.56 3abu h ASP 525 N 0.16 0.77 -0.40 7.04 3.32 -1.84 -2.61 116.42 122.86 3abu h ASP 525 Ca -0.01 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3abu h ASP 525 Cb 1.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3abu h ASP 525 CO 0.09 0.65 0.08 -0.09 -1.72 0.00 0.00 179.24 178.25 3abu h ARG 526 N 0.83 0.73 -0.85 3.56 9.65 -1.19 -2.10 114.38 125.00 3abu h ARG 526 Ca 0.21 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3abu h ARG 526 Cb 0.06 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 3abu h ARG 526 CO -0.03 0.69 0.40 1.96 2.80 0.00 0.00 179.97 185.79 3abu h GLN 527 N 0.70 1.23 -0.38 0.20 4.20 -1.22 -0.24 115.11 119.61 3abu h GLN 527 Ca 0.15 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 3abu h GLN 527 Cb 0.32 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3abu h GLN 527 CO 0.00 0.95 -0.11 0.82 -0.67 0.00 0.00 178.83 179.82 3abu h ILE 528 N 1.22 1.28 -0.77 2.54 2.04 -1.20 -2.41 117.51 120.22 3abu h ILE 528 Ca 0.29 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3abu h ILE 528 Cb 0.13 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3abu h ILE 528 CO -0.04 0.40 0.48 0.25 0.00 0.00 0.00 178.15 179.24 3abu h LEU 529 N 0.54 0.77 -2.01 1.44 5.85 -1.01 -0.11 115.31 120.78 3abu h LEU 529 Ca 0.09 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3abu h LEU 529 Cb 0.64 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3abu h LEU 529 CO 0.04 0.52 0.14 0.44 -0.34 0.00 0.00 178.44 179.24 3abu h ASP 530 N 0.92 0.00 -0.11 1.25 3.32 -0.70 -0.10 116.42 121.00 3abu h ASP 530 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 3abu h ASP 530 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3abu h ASP 530 CO -0.13 0.00 0.02 -0.25 -1.72 0.00 0.00 179.24 177.16 3abu h TRP 531 N 0.00 0.20 -0.92 4.55 7.01 -0.54 0.12 115.95 126.37 3abu h TRP 531 Ca 0.09 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.12 3abu h TRP 531 Cb 0.37 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 3abu h TRP 531 CO 0.00 0.38 0.60 0.45 -2.79 0.00 0.00 178.44 177.09 3abu h HIS 532 N -0.05 1.09 -0.05 2.65 3.86 -0.73 0.34 115.15 122.26 3abu h HIS 532 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3abu h HIS 532 Cb 0.30 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3abu h HIS 532 CO 0.02 0.58 0.01 0.74 0.86 0.00 0.00 177.93 180.14 3abu h PHE 533 N 1.08 0.09 -0.96 2.45 0.04 -0.95 -1.95 116.94 116.75 3abu h PHE 533 Ca 0.39 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.18 3abu h PHE 533 Cb 0.15 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 3abu h PHE 533 CO -0.00 0.31 0.63 0.00 -0.60 0.00 0.00 178.31 178.65 3abu h ALA 534 N 0.77 1.27 -0.33 2.45 0.00 -0.19 0.46 119.26 123.69 3abu h ALA 534 Ca 0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3abu h ALA 534 Cb 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3abu h ALA 534 CO 0.00 0.52 0.22 -0.97 0.00 0.00 0.00 179.25 179.02 3abu h ASN 535 N 1.23 0.25 0.07 0.00 -1.24 -0.12 -0.14 115.58 115.63 3abu h ASN 535 Ca 0.38 -0.00 -0.24 0.00 0.71 0.00 0.00 56.30 57.14 3abu h ASN 535 Cb -0.01 -0.06 0.02 0.00 0.73 0.00 0.00 38.32 39.00 3abu h ASN 535 CO -0.12 0.17 -1.00 0.25 -1.29 0.00 0.00 177.43 175.45 3abu h LEU 536 N 0.29 0.76 0.00 0.34 6.46 0.35 -2.82 115.31 120.69 3abu h LEU 536 Ca 0.14 -0.80 0.00 0.00 -0.12 0.00 0.00 57.88 57.10 3abu h LEU 536 Cb 0.19 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 3abu h LEU 536 CO -0.03 1.48 0.00 -0.62 -0.62 0.00 0.00 178.44 178.65 3abu n GLU 537 N -3.95 0.12 -0.09 1.25 1.02 0.12 -1.14 120.64 117.97 3abu n GLU 537 Ca -0.12 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 3abu n GLU 537 Cb 0.87 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.74 3abu n GLU 537 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3abu n PHE 538 N -1.22 0.69 0.00 -0.32 7.35 -0.40 -1.94 117.46 121.62 3abu n PHE 538 Ca 0.03 0.30 0.21 0.00 -0.76 0.00 0.00 57.45 57.23 3abu n PHE 538 Cb 0.04 -0.81 0.71 0.00 0.35 0.00 0.00 39.48 39.77 3abu n PHE 538 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3abu h ALA 539 N -0.89 2.45 -0.01 3.13 0.00 -0.99 0.28 119.26 123.23 3abu h ALA 539 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3abu h ALA 539 Cb 0.88 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3abu h ALA 539 CO -0.09 -0.68 -0.61 0.09 0.00 0.00 0.00 179.25 177.96 3abu n ASN 540 N -4.25 1.43 -3.69 0.00 3.02 -0.29 -4.99 115.26 106.49 3abu n ASN 540 Ca 0.10 -1.21 -0.27 0.00 -0.03 0.00 0.00 54.58 53.16 3abu n ASN 540 Cb 0.63 0.70 0.03 0.00 -0.61 0.00 0.00 39.78 40.54 3abu n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abu n ALA 541 N -0.66 -1.22 -3.63 5.41 0.00 0.99 -4.75 120.51 116.64 3abu n ALA 541 Ca 0.06 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 3abu n ALA 541 Cb 0.36 -4.45 -0.02 0.00 0.00 0.00 0.00 19.45 15.34 3abu n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3abu s THR 542 N -3.25 0.00 0.18 0.00 -1.32 -0.82 -0.66 115.64 109.77 3abu s THR 542 Ca 0.58 -0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 60.40 3abu s THR 542 Cb -0.28 -1.52 -0.08 0.00 -1.51 0.00 0.00 72.50 69.10 3abu s THR 542 CO 0.72 0.00 1.24 -2.84 -2.21 0.00 0.00 174.62 171.53 3abu s PRO 543 N -3.29 4.45 0.46 7.08 0.02 -1.26 -4.42 135.00 138.04 3abu s PRO 543 Ca 0.08 1.93 0.30 0.00 0.02 0.00 0.00 61.00 63.34 3abu s PRO 543 Cb -0.01 -3.23 1.38 0.00 0.02 0.00 0.00 34.50 32.65 3abu s PRO 543 CO -0.03 -0.16 1.72 -0.07 -0.33 0.00 0.00 177.00 178.13 3abu h LEU 544 N 5.39 0.22 -0.41 -5.54 4.07 -1.93 -0.16 115.31 116.96 3abu h LEU 544 Ca -0.44 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3abu h LEU 544 Cb 1.21 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3abu h LEU 544 CO 0.76 -0.02 0.00 -1.54 -1.08 0.00 0.00 178.44 176.56 3abu n SER 545 N -4.46 0.29 -0.00 -0.43 3.41 -1.26 -2.17 113.62 109.00 3abu n SER 545 Ca 0.30 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.60 3abu n SER 545 Cb 1.24 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 3abu n SER 545 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3abu n THR 546 N -1.84 0.00 -2.55 6.66 -2.24 -0.07 -4.68 114.28 109.55 3abu n THR 546 Ca 0.02 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 3abu n THR 546 Cb 0.15 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 3abu n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3abu s LEU 547 N -3.28 4.05 0.07 3.22 1.43 -0.92 -1.01 118.68 122.23 3abu s LEU 547 Ca 0.05 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 3abu s LEU 547 Cb 0.15 -4.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.01 3abu s LEU 547 CO 0.85 -0.57 1.26 -0.55 0.23 0.00 0.00 176.35 177.57 3abu s SER 548 N -1.70 7.00 0.08 2.29 0.15 -0.86 -1.68 113.70 118.98 3abu s SER 548 Ca 0.61 2.10 -0.21 0.00 0.70 0.00 0.00 55.95 59.15 3abu s SER 548 Cb -0.20 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.42 3abu s SER 548 CO 0.25 -0.54 1.64 0.25 1.20 0.00 0.00 173.24 176.04 3abu h LEU 549 N 6.91 0.18 -0.20 3.45 5.85 -1.35 -2.05 115.31 128.09 3abu h LEU 549 Ca -0.41 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 3abu h LEU 549 Cb 1.21 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3abu h LEU 549 CO 0.83 0.27 -0.19 0.50 -0.34 0.00 0.00 178.44 179.52 3abu h LYS 550 N 0.07 0.48 -0.01 1.25 3.64 -1.91 -3.39 116.57 116.71 3abu h LYS 550 Ca 0.05 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3abu h LYS 550 Cb 0.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3abu h LYS 550 CO -0.00 0.82 -0.06 0.72 -2.27 0.00 0.00 179.45 178.66 3abu n HIS 551 N -4.46 0.00 -0.28 1.91 8.25 -1.24 -4.67 115.22 114.73 3abu n HIS 551 Ca -0.05 0.00 0.34 0.00 -0.26 0.00 0.00 57.72 57.75 3abu n HIS 551 Cb 0.39 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.20 3abu n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 3abu h TRP 552 N 2.27 0.00 -0.04 4.41 5.08 -1.56 0.66 115.95 126.77 3abu h TRP 552 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3abu h TRP 552 Cb 0.51 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.66 3abu h TRP 552 CO 0.00 0.00 -0.46 -0.40 -1.28 0.00 0.00 178.44 176.30 3abu n ASP 553 N -3.84 1.81 -0.10 0.11 5.75 -1.26 -4.73 116.55 114.29 3abu n ASP 553 Ca 0.25 -3.90 0.26 0.00 -0.01 0.00 0.00 54.79 51.39 3abu n ASP 553 Cb 1.31 -0.54 0.66 0.00 -1.03 0.00 0.00 41.12 41.52 3abu n ASP 553 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3abu h GLN 554 N 1.01 0.00 -0.12 0.11 -0.00 0.06 -0.54 115.11 115.62 3abu h GLN 554 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 3abu h GLN 554 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.55 3abu h GLN 554 CO 0.05 0.00 0.00 -0.40 0.00 0.00 0.00 178.83 178.48 3abu n ASP 555 N -3.65 2.92 -0.33 -0.69 5.75 -1.26 -4.59 116.55 114.69 3abu n ASP 555 Ca 0.17 -1.90 0.20 0.00 -0.01 0.00 0.00 54.79 53.25 3abu n ASP 555 Cb 1.05 -0.07 0.39 0.00 -1.03 0.00 0.00 41.12 41.47 3abu n ASP 555 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3abu h ASP 556 N 4.11 -0.17 0.00 -1.12 3.58 -1.45 0.82 116.42 122.19 3abu h ASP 556 Ca 0.00 0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.72 3abu h ASP 556 Cb 0.89 0.39 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3abu h ASP 556 CO 0.00 -0.36 0.10 -0.67 -2.88 0.00 0.00 179.24 175.43 3abu n ASP 557 N -5.39 0.00 -0.70 2.28 2.03 -1.26 -2.13 116.55 111.38 3abu n ASP 557 Ca 0.28 0.38 0.06 0.00 0.52 0.00 0.00 54.79 56.03 3abu n ASP 557 Cb 0.93 -0.38 0.15 0.00 -0.72 0.00 0.00 41.12 41.10 3abu n ASP 557 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3abu n PHE 558 N -1.37 0.43 -1.64 -0.67 3.72 0.28 -5.04 117.46 113.17 3abu n PHE 558 Ca 0.00 -0.40 -0.37 0.00 -0.05 0.00 0.00 57.45 56.63 3abu n PHE 558 Cb 0.10 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 3abu n PHE 558 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3abu n GLU 559 N 0.69 0.91 -3.00 -1.08 1.02 -0.91 -5.00 120.64 113.28 3abu n GLU 559 Ca 0.12 0.36 -0.31 0.00 -0.02 0.00 0.00 57.16 57.32 3abu n GLU 559 Cb 0.43 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.54 3abu n GLU 559 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3abu s PHE 560 N -1.50 3.45 -0.04 -0.32 0.08 -1.26 -5.05 117.98 113.34 3abu s PHE 560 Ca 0.78 1.03 -0.20 0.00 0.12 0.00 0.00 56.93 58.66 3abu s PHE 560 Cb -0.40 -2.41 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 3abu s PHE 560 CO 0.45 -0.01 0.57 0.95 -0.10 0.00 0.00 175.22 177.08 3abu s THR 561 N -2.23 4.99 0.00 0.64 -4.23 -1.11 -4.75 115.64 108.95 3abu s THR 561 Ca 0.51 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 62.20 3abu s THR 561 Cb -0.10 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.83 3abu s THR 561 CO 0.28 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 3abu n GLY 562 N 2.66 3.57 3.79 3.99 0.00 -1.26 -1.12 105.19 116.82 3abu n GLY 562 Ca -0.07 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3abu n GLY 562 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3abu s SER 563 N 0.00 6.87 0.34 1.61 0.01 -1.26 -4.16 113.70 117.10 3abu s SER 563 Ca 0.00 1.97 -0.27 0.00 1.31 0.00 0.00 55.95 58.96 3abu s SER 563 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 3abu s SER 563 CO 0.00 -0.41 1.05 -1.00 0.41 0.00 0.00 173.24 173.29 3abu s HIS 564 N -1.71 3.47 0.35 2.43 0.09 -1.26 -3.04 115.29 115.62 3abu s HIS 564 Ca 0.57 1.70 0.06 0.00 -0.00 0.00 0.00 55.06 57.39 3abu s HIS 564 Cb -0.20 -3.16 -0.07 0.00 -0.00 0.00 0.00 32.58 29.15 3abu s HIS 564 CO 0.25 -0.45 -0.00 -0.51 -0.00 0.00 0.00 174.74 174.03 3abu s LEU 565 N -2.03 2.56 0.10 0.89 1.02 0.50 -1.76 118.68 119.96 3abu s LEU 565 Ca 0.51 -1.32 0.10 0.00 0.02 0.00 0.00 54.13 53.44 3abu s LEU 565 Cb -0.26 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 3abu s LEU 565 CO 0.33 -0.45 -0.24 0.28 0.02 0.00 0.00 176.35 176.28 3abu s THR 566 N -2.94 2.02 -1.02 5.49 -1.32 0.30 -0.55 115.64 117.61 3abu s THR 566 Ca 0.34 -1.58 -0.20 0.00 -1.21 0.00 0.00 61.69 59.04 3abu s THR 566 Cb 0.07 -1.79 0.10 0.00 -1.51 0.00 0.00 72.50 69.37 3abu s THR 566 CO 0.16 0.10 1.33 -0.69 -2.21 0.00 0.00 174.62 173.32 3abu s VAL 567 N -1.02 4.38 0.52 5.08 1.01 -1.05 -0.67 120.40 128.65 3abu s VAL 567 Ca 0.11 -1.36 0.31 0.00 0.00 0.00 0.00 61.98 61.03 3abu s VAL 567 Cb -0.10 -4.94 0.49 0.00 0.00 0.00 0.00 36.38 31.83 3abu s VAL 567 CO 0.04 -1.74 1.86 -0.09 0.00 0.00 0.00 175.10 175.18 3abu h ARG 568 N 8.98 0.05 -0.35 2.72 9.65 -1.20 -1.00 114.38 133.23 3abu h ARG 568 Ca 0.21 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 3abu h ARG 568 Cb 0.99 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3abu h ARG 568 CO 1.28 0.03 0.00 0.27 2.80 0.00 0.00 179.97 184.35 3abu n ASN 569 N -4.29 3.88 -0.48 -3.80 6.94 -1.24 -4.68 115.26 111.59 3abu n ASN 569 Ca 0.20 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.07 3abu n ASN 569 Cb 1.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3abu n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3abu n GLY 570 N 0.01 -0.95 0.03 4.83 0.00 -0.38 -4.76 105.19 103.97 3abu n GLY 570 Ca 0.20 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.43 3abu n GLY 570 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3abu n TYR 571 N 1.55 0.07 0.29 1.61 -0.00 -1.26 -1.49 117.16 117.94 3abu n TYR 571 Ca 0.00 0.04 0.17 0.00 -0.00 0.00 0.00 57.90 58.11 3abu n TYR 571 Cb 0.00 -0.35 0.70 0.00 -0.00 0.00 0.00 39.34 39.69 3abu n TYR 571 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3abu h SER 572 N 0.00 0.00 -0.28 2.98 4.64 -1.89 -2.95 113.55 116.05 3abu h SER 572 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3abu h SER 572 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3abu h SER 572 CO 0.00 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.23 3abu n VAL 574 N -3.97 0.00 -0.26 0.00 0.31 -1.11 -2.22 118.33 111.08 3abu n VAL 574 Ca 0.04 1.10 0.05 0.00 -0.01 0.00 0.00 64.34 65.52 3abu n VAL 574 Cb 0.42 -2.08 0.19 0.00 -0.91 0.00 0.00 33.84 31.46 3abu n VAL 574 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3abu h PRO 575 N 0.00 0.49 0.01 5.55 0.13 -1.73 0.18 132.00 136.62 3abu h PRO 575 Ca 0.00 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3abu h PRO 575 Cb 0.00 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 30.97 3abu h PRO 575 CO 0.00 0.32 -0.53 0.28 -0.23 0.00 0.00 178.00 177.84 3abu h VAL 576 N 0.50 0.00 -0.85 1.56 2.07 -1.54 0.17 116.25 118.16 3abu h VAL 576 Ca 0.41 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.05 3abu h VAL 576 Cb 0.59 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3abu h VAL 576 CO -0.37 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.77 3abu h ALA 577 N -0.45 1.80 0.00 1.67 0.00 -0.86 -0.60 119.26 120.81 3abu h ALA 577 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3abu h ALA 577 Cb 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3abu h ALA 577 CO -0.35 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 178.80 3abu h LEU 578 N 0.72 0.00 0.00 0.00 3.38 0.39 -3.03 115.31 116.76 3abu h LEU 578 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3abu h LEU 578 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3abu h LEU 578 CO -0.17 0.03 -0.30 0.00 0.09 0.00 0.00 178.44 178.09 3abu h ALA 579 N 1.97 0.83 -1.61 1.53 0.00 0.63 -3.46 119.26 119.16 3abu h ALA 579 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 3abu h ALA 579 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3abu h ALA 579 CO 0.00 0.00 0.97 -1.91 0.00 0.00 0.00 179.25 178.32 3abu n GLU 580 N -2.71 1.34 -0.64 0.00 2.13 -1.15 -1.30 120.64 118.32 3abu n GLU 580 Ca 0.03 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3abu n GLU 580 Cb 0.50 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3abu n GLU 580 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3abu n GLY 581 N 4.38 1.13 3.91 8.31 0.00 -1.26 -5.04 105.19 116.62 3abu n GLY 581 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 3abu n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abu s LEU 582 N 0.00 4.02 -0.76 0.99 1.43 -0.42 -5.03 118.68 118.91 3abu s LEU 582 Ca 0.00 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.58 3abu s LEU 582 Cb 0.00 -3.50 0.13 0.00 0.03 0.00 0.00 46.19 42.85 3abu s LEU 582 CO 0.00 -0.24 0.89 -0.62 0.23 0.00 0.00 176.35 176.61 3abu s ASP 583 N -3.43 6.45 -0.20 2.29 2.15 -1.26 -5.01 116.67 117.66 3abu s ASP 583 Ca 0.43 -1.85 -0.04 0.00 0.43 0.00 0.00 52.55 51.52 3abu s ASP 583 Cb -0.10 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 3abu s ASP 583 CO 0.32 -1.02 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.63 3abu s ILE 584 N 2.33 3.50 -1.04 4.11 1.01 -1.26 -1.05 121.20 128.79 3abu s ILE 584 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 3abu s ILE 584 Cb -0.14 -2.57 0.27 0.00 0.01 0.00 0.00 42.46 40.03 3abu s ILE 584 CO -0.02 0.44 1.11 0.29 0.00 0.00 0.00 174.94 176.76 3abu n LYS 585 N 4.48 3.52 -0.70 2.79 5.02 -0.02 -4.99 118.16 128.26 3abu n LYS 585 Ca -0.18 -4.50 -0.32 0.00 -2.02 0.00 0.00 58.31 51.29 3abu n LYS 585 Cb 0.51 -2.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.18 3abu n LYS 585 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3abu n LEU 586 N 2.20 -1.10 -3.82 -0.35 4.77 -1.26 -2.92 117.00 114.53 3abu n LEU 586 Ca 0.24 0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 3abu n LEU 586 Cb 0.37 -1.11 0.03 0.00 -2.33 0.00 0.00 43.42 40.38 3abu n LEU 586 CO 0.50 -3.28 0.07 0.59 -1.33 0.00 0.00 177.39 173.94 3abu n ASN 587 N -1.96 -3.86 -3.55 -1.43 5.03 -0.00 -4.83 115.26 104.66 3abu n ASN 587 Ca 0.04 -0.77 -0.29 0.00 0.87 0.00 0.00 54.58 54.43 3abu n ASN 587 Cb 0.57 -4.05 -0.12 0.00 -1.02 0.00 0.00 39.78 35.17 3abu n ASN 587 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3abu s THR 588 N -3.41 0.70 -0.29 3.41 2.01 -0.32 -2.09 115.64 115.65 3abu s THR 588 Ca 0.46 -2.22 -0.29 0.00 0.31 0.00 0.00 61.69 59.95 3abu s THR 588 Cb -0.23 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.80 3abu s THR 588 CO 0.82 -0.99 1.07 0.00 -0.69 0.00 0.00 174.62 174.82 3abu s ALA 589 N 0.59 3.56 0.12 7.40 0.00 -0.66 -3.13 121.76 129.64 3abu s ALA 589 Ca 0.20 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3abu s ALA 589 Cb -0.19 -3.64 -0.06 0.00 0.00 0.00 0.00 23.12 19.23 3abu s ALA 589 CO -0.03 -1.35 1.13 0.08 0.00 0.00 0.00 175.76 175.59 3abu s VAL 590 N 3.52 4.02 -0.12 0.00 1.01 -1.26 -0.75 120.40 126.82 3abu s VAL 590 Ca 0.45 1.59 0.04 0.00 0.00 0.00 0.00 61.98 64.06 3abu s VAL 590 Cb -0.13 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3abu s VAL 590 CO 0.12 0.20 0.14 0.54 0.00 0.00 0.00 175.10 176.11 3abu n ARG 591 N 3.13 3.44 -3.65 2.72 3.00 0.11 -4.60 116.66 120.80 3abu n ARG 591 Ca 0.05 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.85 57.76 3abu n ARG 591 Cb 0.47 -0.86 -0.08 0.00 0.00 0.00 0.00 32.46 31.99 3abu n ARG 591 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3abu s GLN 592 N -1.75 0.74 -0.24 5.56 0.74 -0.76 -0.24 119.66 123.70 3abu s GLN 592 Ca 0.00 1.02 0.02 0.00 0.05 0.00 0.00 55.36 56.45 3abu s GLN 592 Cb 0.03 0.28 0.05 0.00 1.10 0.00 0.00 33.01 34.47 3abu s GLN 592 CO 0.17 -0.12 -0.10 0.08 -0.55 0.00 0.00 175.29 174.78 3abu s VAL 593 N 0.84 1.89 -0.13 1.34 1.01 0.12 -0.05 120.40 125.41 3abu s VAL 593 Ca -0.04 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 3abu s VAL 593 Cb -0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3abu s VAL 593 CO -0.07 0.02 0.12 -0.13 0.00 0.00 0.00 175.10 175.04 3abu s ARG 594 N 1.25 3.55 -0.11 2.72 0.52 0.98 -1.18 118.95 126.67 3abu s ARG 594 Ca -0.06 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 3abu s ARG 594 Cb -0.19 -3.18 0.06 0.00 0.52 0.00 0.00 34.95 32.16 3abu s ARG 594 CO -0.06 0.66 0.18 1.52 0.02 0.00 0.00 175.30 177.61 3abu s TYR 595 N -0.68 -0.22 0.35 -0.53 1.13 -0.61 -0.48 117.35 116.30 3abu s TYR 595 Ca 0.13 0.56 0.09 0.00 -1.41 0.00 0.00 57.07 56.44 3abu s TYR 595 Cb -0.12 -0.26 -0.06 0.00 -1.10 0.00 0.00 41.96 40.42 3abu s TYR 595 CO 0.03 -0.35 -0.02 0.95 -2.51 0.00 0.00 175.55 173.64 3abu s THR 596 N 2.31 2.45 -1.11 -3.49 -4.23 0.49 -4.39 115.64 107.67 3abu s THR 596 Ca 0.03 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3abu s THR 596 Cb -0.13 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3abu s THR 596 CO -0.07 -0.19 0.70 0.00 -0.54 0.00 0.00 174.62 174.52 3abu n ALA 597 N -0.91 0.95 -1.78 3.99 0.00 -1.26 -1.62 120.51 119.89 3abu n ALA 597 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3abu n ALA 597 Cb 0.63 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 19.35 3abu n ALA 597 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3abu n SER 598 N -1.20 0.99 0.00 0.00 3.41 -1.26 -4.83 113.62 110.72 3abu n SER 598 Ca 0.00 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 3abu n SER 598 Cb 0.06 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3abu n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abu n GLY 599 N -0.44 1.72 3.16 5.00 0.00 -0.64 -5.05 105.19 108.94 3abu n GLY 599 Ca 0.07 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 3abu n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abu s GLU 601 N -2.36 0.87 -0.27 0.00 2.02 0.37 -1.50 118.70 117.82 3abu s GLU 601 Ca 0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.90 3abu s GLU 601 Cb -0.06 -0.95 0.03 0.00 0.10 0.00 0.00 34.13 33.25 3abu s GLU 601 CO 0.01 -0.14 -0.02 0.08 0.02 0.00 0.00 175.26 175.20 3abu s VAL 602 N 1.21 3.04 -0.24 2.63 1.01 0.05 -0.02 120.40 128.08 3abu s VAL 602 Ca -0.06 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 3abu s VAL 602 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3abu s VAL 602 CO -0.02 0.06 0.34 -0.63 0.00 0.00 0.00 175.10 174.86 3abu s ILE 603 N 1.31 5.22 0.26 2.22 1.09 0.92 -1.87 121.20 130.36 3abu s ILE 603 Ca -0.02 0.54 0.01 0.00 -1.10 0.00 0.00 60.65 60.08 3abu s ILE 603 Cb -0.18 -3.67 -0.00 0.00 -1.06 0.00 0.00 42.46 37.55 3abu s ILE 603 CO -0.02 0.22 0.03 0.00 -0.10 0.00 0.00 174.94 175.07 3abu n ALA 604 N 4.86 0.27 -3.07 9.38 0.00 -0.77 0.05 120.51 131.22 3abu n ALA 604 Ca -0.10 -1.24 -0.12 0.00 0.00 0.00 0.00 53.44 51.99 3abu n ALA 604 Cb 0.51 0.73 -0.07 0.00 0.00 0.00 0.00 19.45 20.62 3abu n ALA 604 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3abu s VAL 605 N -2.16 0.07 0.09 0.00 -7.23 0.07 -2.17 120.40 109.06 3abu s VAL 605 Ca 0.04 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 3abu s VAL 605 Cb 0.00 -0.96 -0.06 0.00 0.56 0.00 0.00 36.38 35.92 3abu s VAL 605 CO 0.03 -0.32 1.20 0.21 -0.31 0.00 0.00 175.10 175.91 3abu s ASN 606 N -2.07 7.09 0.00 4.85 3.84 -1.12 -1.65 114.94 125.87 3abu s ASN 606 Ca -0.05 2.06 0.27 0.00 0.21 0.00 0.00 52.86 55.35 3abu s ASN 606 Cb -0.01 -2.58 1.41 0.00 -0.55 0.00 0.00 41.25 39.52 3abu s ASN 606 CO -0.03 -0.44 1.92 0.35 -2.79 0.00 0.00 177.10 176.11 3abu n THR 607 N 3.60 0.11 0.40 -5.21 -2.24 -0.89 -2.34 114.28 107.71 3abu n THR 607 Ca 0.08 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 3abu n THR 607 Cb 0.46 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.01 3abu n THR 607 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3abu n ARG 608 N -1.21 1.91 -2.84 -0.78 5.12 -1.26 -4.75 116.66 112.85 3abu n ARG 608 Ca 0.15 -0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.91 3abu n ARG 608 Cb 0.18 -1.18 0.03 0.00 -1.16 0.00 0.00 32.46 30.32 3abu n ARG 608 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3abu n SER 609 N -1.53 -2.22 0.00 0.55 7.64 -1.16 -5.00 113.62 111.90 3abu n SER 609 Ca 0.01 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.66 3abu n SER 609 Cb 0.25 1.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.80 3abu n SER 609 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3abu n THR 610 N 1.47 0.17 0.07 0.44 -2.24 -0.99 -1.13 114.28 112.07 3abu n THR 610 Ca 0.11 0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.96 3abu n THR 610 Cb 0.62 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.60 3abu n THR 610 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3abu h SER 611 N 0.00 -0.22 -3.88 3.42 4.64 -1.95 -3.45 113.55 112.11 3abu h SER 611 Ca 0.00 -0.31 -0.48 0.00 -0.47 0.00 0.00 61.79 60.53 3abu h SER 611 Cb 0.27 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3abu h SER 611 CO 0.00 0.30 0.39 0.00 -0.87 0.00 0.00 176.83 176.65 3abu s GLN 612 N -3.64 4.49 0.39 4.77 -2.07 -0.28 -5.02 119.66 118.30 3abu s GLN 612 Ca -0.13 1.50 0.03 0.00 -1.82 0.00 0.00 55.36 54.95 3abu s GLN 612 Cb 0.01 -2.85 -0.03 0.00 -1.09 0.00 0.00 33.01 29.04 3abu s GLN 612 CO 0.48 0.16 0.09 0.95 -1.32 0.00 0.00 175.29 175.65 3abu s THR 613 N -1.49 0.83 0.01 3.63 -4.23 -1.26 -2.80 115.64 110.33 3abu s THR 613 Ca 0.50 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3abu s THR 613 Cb -0.23 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 3abu s THR 613 CO 0.29 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 174.00 3abu s PHE 614 N -3.20 0.12 -0.48 3.99 0.08 -0.92 -4.95 117.98 112.61 3abu s PHE 614 Ca 0.26 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.13 3abu s PHE 614 Cb 0.04 -0.08 0.14 0.00 -0.57 0.00 0.00 43.02 42.55 3abu s PHE 614 CO 0.14 -0.07 0.26 0.42 -0.10 0.00 0.00 175.22 175.87 3abu s ILE 615 N -0.57 1.86 -0.10 0.64 -1.09 -1.26 -1.85 121.20 118.83 3abu s ILE 615 Ca -0.06 -2.92 -0.25 0.00 -2.23 0.00 0.00 60.65 55.18 3abu s ILE 615 Cb -0.04 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 3abu s ILE 615 CO -0.00 -0.88 0.80 -0.31 -1.23 0.00 0.00 174.94 173.32 3abu s TYR 616 N 0.01 3.53 0.05 3.97 2.02 -0.78 -4.89 117.35 121.26 3abu s TYR 616 Ca 0.18 1.33 -0.04 0.00 -0.37 0.00 0.00 57.07 58.17 3abu s TYR 616 Cb -0.23 -2.94 -0.05 0.00 -0.40 0.00 0.00 41.96 38.34 3abu s TYR 616 CO -0.01 -0.07 0.27 0.15 -1.57 0.00 0.00 175.55 174.32 3abu s LYS 617 N 1.40 3.54 0.11 -0.62 1.02 -1.26 -0.77 119.74 123.15 3abu s LYS 617 Ca 0.40 -0.18 -0.25 0.00 0.02 0.00 0.00 55.97 55.96 3abu s LYS 617 Cb -0.18 -3.02 0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3abu s LYS 617 CO 0.17 0.60 0.81 0.00 -0.92 0.00 0.00 175.35 176.01 3abu h ASP 619 N 2.00 0.00 -4.89 0.00 5.19 0.91 0.13 116.42 119.76 3abu h ASP 619 Ca -0.25 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.05 3abu h ASP 619 Cb 1.26 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.57 3abu h ASP 619 CO 0.31 0.32 -0.17 0.00 -3.12 0.00 0.00 179.24 176.58 3abu s ALA 620 N -3.07 -1.01 -0.08 3.45 0.00 -1.18 -4.46 121.76 115.41 3abu s ALA 620 Ca 0.03 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3abu s ALA 620 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3abu s ALA 620 CO 0.75 -0.28 -0.17 0.08 0.00 0.00 0.00 175.76 176.14 3abu s VAL 621 N -1.16 2.77 -0.31 0.00 1.01 -0.91 -1.34 120.40 120.47 3abu s VAL 621 Ca -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3abu s VAL 621 Cb -0.04 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.30 3abu s VAL 621 CO 0.05 0.56 0.00 -0.22 0.00 0.00 0.00 175.10 175.50 3abu s LEU 622 N -0.18 3.98 -0.42 3.92 2.96 -0.26 -0.16 118.68 128.51 3abu s LEU 622 Ca -0.01 -1.37 -0.20 0.00 -0.22 0.00 0.00 54.13 52.32 3abu s LEU 622 Cb -0.13 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3abu s LEU 622 CO 0.03 -0.28 0.61 0.00 -1.32 0.00 0.00 176.35 175.40 3abu n THR 624 N 5.75 2.53 -2.02 0.00 -2.24 -0.95 -1.61 114.28 115.73 3abu n THR 624 Ca -0.02 -2.61 -0.39 0.00 -2.27 0.00 0.00 64.05 58.76 3abu n THR 624 Cb 0.48 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3abu n THR 624 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3abu s LEU 625 N -3.19 4.15 0.66 3.22 1.43 -1.26 -4.84 118.68 118.85 3abu s LEU 625 Ca 0.44 2.66 -0.17 0.00 -1.03 0.00 0.00 54.13 56.04 3abu s LEU 625 Cb 0.40 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3abu s LEU 625 CO 0.01 -0.96 1.20 -2.84 0.23 0.00 0.00 176.35 173.99 3abu s PRO 626 N -2.37 2.58 0.41 1.29 0.02 -1.26 -4.83 135.00 130.83 3abu s PRO 626 Ca 0.59 1.76 0.09 0.00 0.02 0.00 0.00 61.00 63.46 3abu s PRO 626 Cb -0.38 -1.89 0.89 0.00 0.02 0.00 0.00 34.50 33.15 3abu s PRO 626 CO 0.48 -1.50 2.00 1.25 -0.33 0.00 0.00 177.00 178.91 3abu h LEU 627 N 0.26 0.48 -1.12 -5.54 5.85 -1.93 -1.16 115.31 112.16 3abu h LEU 627 Ca -0.49 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.33 3abu h LEU 627 Cb 1.29 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 3abu h LEU 627 CO 0.53 0.32 0.60 1.23 -0.34 0.00 0.00 178.44 180.78 3abu h GLY 628 N 0.55 1.42 0.83 3.75 0.00 -1.82 0.18 103.07 107.98 3abu h GLY 628 Ca 0.24 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 3abu h GLY 628 CO -0.07 0.22 -0.68 -2.08 0.00 0.00 0.00 176.54 173.94 3abu h VAL 629 N 0.97 1.42 -0.39 4.60 2.07 -1.29 -3.00 116.25 120.63 3abu h VAL 629 Ca 0.44 -2.14 0.11 0.00 0.82 0.00 0.00 66.70 65.93 3abu h VAL 629 Cb 0.37 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3abu h VAL 629 CO -0.19 0.63 0.29 -0.07 0.02 0.00 0.00 177.57 178.24 3abu h LEU 630 N -0.06 0.00 0.00 2.57 3.38 -0.46 0.08 115.31 120.81 3abu h LEU 630 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3abu h LEU 630 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3abu h LEU 630 CO 0.13 0.00 -0.26 0.11 0.09 0.00 0.00 178.44 178.51 3abu h LYS 631 N 0.00 0.00 -6.43 1.13 1.57 -0.64 -3.48 116.57 108.73 3abu h LYS 631 Ca 0.18 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.35 3abu h LYS 631 Cb 0.76 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.17 3abu h LYS 631 CO -0.00 0.00 0.13 0.94 -0.57 0.00 0.00 179.45 179.95 3abu n GLN 632 N -2.35 1.26 -3.63 3.15 7.27 0.01 -4.96 117.38 118.14 3abu n GLN 632 Ca 0.04 0.44 -0.22 0.00 0.07 0.00 0.00 57.00 57.34 3abu n GLN 632 Cb 0.45 -1.82 -0.17 0.00 2.41 0.00 0.00 30.24 31.11 3abu n GLN 632 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3abu s GLN 633 N -1.29 0.02 0.57 3.69 -1.52 -1.26 -2.75 119.66 117.13 3abu s GLN 633 Ca 0.62 0.21 -0.20 0.00 -1.95 0.00 0.00 55.36 54.04 3abu s GLN 633 Cb -0.74 -1.07 -0.04 0.00 -0.22 0.00 0.00 33.01 30.94 3abu s GLN 633 CO 0.58 -0.50 1.23 -2.14 -0.25 0.00 0.00 175.29 174.21 3abu s PRO 634 N 2.20 3.11 0.08 2.91 0.02 -1.26 -5.09 135.00 136.96 3abu s PRO 634 Ca 0.04 1.90 -0.37 0.00 0.02 0.00 0.00 61.00 62.59 3abu s PRO 634 Cb -0.14 -2.05 -0.17 0.00 0.02 0.00 0.00 34.50 32.16 3abu s PRO 634 CO -0.07 -1.12 1.36 -0.35 -0.33 0.00 0.00 177.00 176.50 3abu n PRO 635 N -1.34 1.20 -0.17 5.54 -0.04 -1.11 -4.92 135.00 134.16 3abu n PRO 635 Ca 0.12 0.43 -0.11 0.00 -0.04 0.00 0.00 63.50 63.90 3abu n PRO 635 Cb 0.49 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 3abu n PRO 635 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3abu h ALA 636 N 4.69 0.70 -3.99 0.55 0.00 -1.78 -3.43 119.26 116.00 3abu h ALA 636 Ca -0.48 -0.37 -0.45 0.00 0.00 0.00 0.00 54.91 53.61 3abu h ALA 636 Cb 1.33 -0.18 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 3abu h ALA 636 CO 0.79 0.65 -0.80 0.14 0.00 0.00 0.00 179.25 180.03 3abu s VAL 637 N -4.75 1.03 -0.03 0.00 -7.23 -1.26 -4.71 120.40 103.45 3abu s VAL 637 Ca -0.12 -0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3abu s VAL 637 Cb 0.12 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3abu s VAL 637 CO 0.87 0.17 0.21 -1.58 -0.31 0.00 0.00 175.10 174.46 3abu s GLN 638 N -0.63 3.51 -0.11 4.82 0.74 0.67 -4.92 119.66 123.74 3abu s GLN 638 Ca 0.03 -0.16 -0.00 0.00 0.05 0.00 0.00 55.36 55.28 3abu s GLN 638 Cb -0.06 -3.11 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 3abu s GLN 638 CO 0.00 0.69 -0.10 -0.06 -0.55 0.00 0.00 175.29 175.27 3abu s PHE 639 N -1.24 2.86 -0.16 1.67 0.08 -1.26 0.15 117.98 120.08 3abu s PHE 639 Ca 0.24 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.93 3abu s PHE 639 Cb -0.13 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3abu s PHE 639 CO 0.14 0.01 0.02 0.08 -0.10 0.00 0.00 175.22 175.37 3abu s VAL 640 N -0.08 0.54 1.14 -0.44 1.01 -0.33 -2.90 120.40 119.34 3abu s VAL 640 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3abu s VAL 640 Cb -0.14 -0.91 0.26 0.00 0.00 0.00 0.00 36.38 35.60 3abu s VAL 640 CO 0.03 -0.04 1.04 -2.84 0.00 0.00 0.00 175.10 173.30 3abu s PRO 641 N 1.87 -0.68 0.88 2.72 0.02 -1.26 -1.58 135.00 136.96 3abu s PRO 641 Ca 0.01 0.63 -0.11 0.00 0.02 0.00 0.00 61.00 61.55 3abu s PRO 641 Cb -0.15 -1.60 0.12 0.00 0.02 0.00 0.00 34.50 32.89 3abu s PRO 641 CO -0.07 -3.51 1.11 -2.14 -0.33 0.00 0.00 177.00 172.06 3abu s PRO 642 N -4.69 1.35 0.50 5.54 0.02 -1.14 -4.95 135.00 131.63 3abu s PRO 642 Ca 0.68 1.27 -0.21 0.00 0.02 0.00 0.00 61.00 62.76 3abu s PRO 642 Cb -0.22 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 3abu s PRO 642 CO 0.62 -2.31 1.14 -0.51 -0.33 0.00 0.00 177.00 175.61 3abu s LEU 643 N -6.36 3.89 0.99 -5.54 1.43 -1.26 -4.97 118.68 106.85 3abu s LEU 643 Ca 0.64 2.23 -0.15 0.00 -1.03 0.00 0.00 54.13 55.83 3abu s LEU 643 Cb -0.20 -4.41 0.02 0.00 0.03 0.00 0.00 46.19 41.63 3abu s LEU 643 CO 0.58 -1.05 0.14 -2.65 0.23 0.00 0.00 176.35 173.60 3abu n PRO 644 N -0.88 -0.49 -0.14 1.29 -0.02 -1.26 -4.70 135.00 128.81 3abu n PRO 644 Ca 0.09 -0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 3abu n PRO 644 Cb 0.50 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 3abu n PRO 644 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3abu h GLU 645 N -1.58 0.75 0.00 -0.52 4.22 -1.99 -2.36 114.58 113.09 3abu h GLU 645 Ca -0.45 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 58.72 3abu h GLU 645 Cb 1.30 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3abu h GLU 645 CO 0.33 0.86 -0.02 0.11 -2.18 0.00 0.00 179.01 178.12 3abu h TRP 646 N 0.56 0.00 0.00 0.92 5.08 -1.99 0.15 115.95 120.67 3abu h TRP 646 Ca 0.11 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.96 3abu h TRP 646 Cb 0.56 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 3abu h TRP 646 CO 0.04 0.02 -0.78 -0.22 -1.28 0.00 0.00 178.44 176.22 3abu h LYS 647 N 0.00 0.00 -0.87 0.12 1.63 -1.84 -3.26 116.57 112.36 3abu h LYS 647 Ca -0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 3abu h LYS 647 Cb 0.14 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 3abu h LYS 647 CO 0.00 0.67 0.53 1.79 -3.45 0.00 0.00 179.45 178.99 3abu h THR 648 N -1.00 1.01 -0.88 1.00 1.35 -1.32 -0.42 112.91 112.66 3abu h THR 648 Ca -0.18 -0.33 0.03 0.00 -0.55 0.00 0.00 66.41 65.39 3abu h THR 648 Cb 0.95 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 3abu h THR 648 CO -0.11 0.17 0.57 0.77 -0.25 0.00 0.00 175.52 176.67 3abu h SER 649 N 0.95 0.95 -0.28 5.36 4.64 -1.14 0.15 113.55 124.18 3abu h SER 649 Ca 0.39 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 3abu h SER 649 Cb 0.22 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 3abu h SER 649 CO -0.19 0.65 -0.14 0.00 -0.87 0.00 0.00 176.83 176.29 3abu h ALA 650 N 1.36 0.39 -0.11 5.18 0.00 -1.37 0.89 119.26 125.60 3abu h ALA 650 Ca 0.35 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3abu h ALA 650 Cb -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 3abu h ALA 650 CO -0.11 0.27 -0.24 0.28 0.00 0.00 0.00 179.25 179.45 3abu h VAL 651 N 0.33 0.43 0.00 0.00 2.07 -0.52 0.13 116.25 118.68 3abu h VAL 651 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3abu h VAL 651 Cb 0.65 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3abu h VAL 651 CO 0.04 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 179.14 3abu h GLN 652 N -0.32 0.00 0.05 1.57 4.20 -0.54 -3.05 115.11 117.03 3abu h GLN 652 Ca 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3abu h GLN 652 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3abu h GLN 652 CO -0.29 0.05 -0.03 0.00 -0.67 0.00 0.00 178.83 177.90 3abu h ARG 653 N 0.00 -0.07 -6.76 1.46 3.08 0.10 -3.47 114.38 108.73 3abu h ARG 653 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3abu h ARG 653 Cb 0.10 0.02 0.18 0.00 0.08 0.00 0.00 29.97 30.34 3abu h ARG 653 CO 0.01 0.53 -0.19 -1.33 -1.07 0.00 0.00 179.97 177.92 3abu n MET 654 N -4.80 0.43 -3.92 0.04 2.81 0.27 -4.67 117.12 107.27 3abu n MET 654 Ca -0.08 0.19 -0.33 0.00 -1.81 0.00 0.00 57.70 55.66 3abu n MET 654 Cb 0.31 -1.98 -0.05 0.00 -0.71 0.00 0.00 33.22 30.80 3abu n MET 654 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3abu s GLY 655 N -1.49 2.16 -0.12 3.03 0.00 -0.82 -4.91 107.32 105.18 3abu s GLY 655 Ca 0.69 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3abu s GLY 655 CO 0.54 -0.66 -0.03 -0.12 0.00 0.00 0.00 173.10 172.83 3abu s PHE 656 N -1.31 1.21 0.00 1.90 5.36 -1.26 -0.91 117.98 122.96 3abu s PHE 656 Ca 0.27 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 3abu s PHE 656 Cb -0.13 -1.09 0.00 0.00 -0.34 0.00 0.00 43.02 41.47 3abu s PHE 656 CO 0.18 -0.49 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 3abu n GLY 657 N 5.01 0.02 3.55 13.12 0.00 0.31 -4.90 105.19 122.30 3abu n GLY 657 Ca -0.10 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3abu n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3abu s ASN 658 N -1.00 -0.68 -0.06 1.61 3.04 0.16 -0.53 114.94 117.48 3abu s ASN 658 Ca 0.00 1.30 -0.16 0.00 0.04 0.00 0.00 52.86 54.04 3abu s ASN 658 Cb 0.00 1.31 0.03 0.00 -1.54 0.00 0.00 41.25 41.05 3abu s ASN 658 CO 0.00 -0.22 0.37 -0.22 -3.04 0.00 0.00 177.10 173.98 3abu s LEU 659 N 0.44 0.62 0.08 3.21 2.96 -1.26 -4.43 118.68 120.30 3abu s LEU 659 Ca -0.01 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3abu s LEU 659 Cb -0.05 1.40 -0.04 0.00 0.50 0.00 0.00 46.19 48.01 3abu s LEU 659 CO -0.01 -0.37 -0.06 0.20 -1.32 0.00 0.00 176.35 174.80 3abu s ASN 660 N -0.87 0.91 0.08 3.68 0.01 -0.64 -4.63 114.94 113.49 3abu s ASN 660 Ca -0.09 -0.94 0.06 0.00 -0.71 0.00 0.00 52.86 51.18 3abu s ASN 660 Cb -0.04 0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.71 3abu s ASN 660 CO 0.04 -0.47 -0.15 -0.54 -1.51 0.00 0.00 177.10 174.47 3abu s LYS 661 N -3.53 0.89 -0.21 -0.60 1.02 -1.26 -0.50 119.74 115.55 3abu s LYS 661 Ca 0.07 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.06 3abu s LYS 661 Cb 0.04 -0.93 0.05 0.00 -0.52 0.00 0.00 37.83 36.46 3abu s LYS 661 CO -0.05 0.21 -0.10 0.08 -0.92 0.00 0.00 175.35 174.57 3abu s VAL 662 N -1.32 1.67 -0.30 3.17 1.01 0.05 -1.72 120.40 122.95 3abu s VAL 662 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3abu s VAL 662 Cb -0.10 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3abu s VAL 662 CO 0.03 0.12 0.59 -0.69 0.00 0.00 0.00 175.10 175.15 3abu s VAL 663 N 1.37 4.97 -0.38 2.92 1.01 0.30 -1.15 120.40 129.44 3abu s VAL 663 Ca -0.02 0.79 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 3abu s VAL 663 Cb -0.17 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.31 3abu s VAL 663 CO -0.08 -0.11 0.19 -0.76 0.00 0.00 0.00 175.10 174.34 3abu s LEU 664 N 2.53 4.81 -0.40 3.92 1.43 0.38 -1.92 118.68 129.43 3abu s LEU 664 Ca 0.24 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.78 3abu s LEU 664 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3abu s LEU 664 CO 0.12 -0.45 0.47 0.00 0.23 0.00 0.00 176.35 176.72 3abu s PHE 666 N 2.27 2.38 -1.72 0.00 0.08 0.20 -0.15 117.98 121.04 3abu s PHE 666 Ca 0.15 -0.59 0.16 0.00 0.12 0.00 0.00 56.93 56.76 3abu s PHE 666 Cb -0.16 -2.10 0.26 0.00 -0.57 0.00 0.00 43.02 40.45 3abu s PHE 666 CO 0.14 -0.23 1.16 -0.40 -0.10 0.00 0.00 175.22 175.79 3abu n ASP 667 N -1.60 2.75 -3.94 1.36 3.85 -1.26 -4.29 116.55 113.41 3abu n ASP 667 Ca 0.03 -1.80 -0.09 0.00 -0.71 0.00 0.00 54.79 52.22 3abu n ASP 667 Cb 0.63 -0.14 -0.08 0.00 -1.35 0.00 0.00 41.12 40.18 3abu n ASP 667 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3abu s ARG 668 N -1.20 0.85 -0.49 0.11 0.52 -1.26 -4.97 118.95 112.51 3abu s ARG 668 Ca 0.25 -1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 3abu s ARG 668 Cb 0.15 0.31 0.13 0.00 0.52 0.00 0.00 34.95 36.06 3abu s ARG 668 CO 0.21 -0.26 0.27 0.08 0.02 0.00 0.00 175.30 175.62 3abu s VAL 669 N -3.90 3.19 -2.30 3.52 1.01 -1.26 -4.78 120.40 115.87 3abu s VAL 669 Ca 0.09 -2.59 0.22 0.00 0.00 0.00 0.00 61.98 59.69 3abu s VAL 669 Cb 0.05 -3.17 0.46 0.00 0.00 0.00 0.00 36.38 33.73 3abu s VAL 669 CO -0.08 -0.76 1.56 2.22 0.00 0.00 0.00 175.10 178.04 3abu n PHE 670 N 3.95 0.19 -3.39 5.22 1.16 -1.26 -4.90 117.46 118.43 3abu n PHE 670 Ca 0.03 -0.10 -0.21 0.00 -1.87 0.00 0.00 57.45 55.31 3abu n PHE 670 Cb 0.39 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.26 3abu n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 3abu s TRP 671 N -1.81 2.30 -0.49 2.97 -2.14 -1.26 -5.02 118.94 113.50 3abu s TRP 671 Ca 0.33 -0.58 -0.29 0.00 2.66 0.00 0.00 56.10 58.23 3abu s TRP 671 Cb 0.18 -2.18 0.03 0.00 -3.10 0.00 0.00 33.47 28.39 3abu s TRP 671 CO 0.27 -0.45 1.21 0.34 -2.66 0.00 0.00 176.95 175.66 3abu s ASP 672 N -4.31 6.53 0.64 -2.66 -1.08 -1.26 -4.90 116.67 109.63 3abu s ASP 672 Ca 0.50 0.47 0.41 0.00 -0.52 0.00 0.00 52.55 53.41 3abu s ASP 672 Cb -0.05 -2.55 2.24 0.00 -1.46 0.00 0.00 42.92 41.10 3abu s ASP 672 CO 0.30 -1.34 2.32 1.55 0.52 0.00 0.00 175.17 178.52 3abu h PRO 673 N 9.63 0.00 0.00 4.34 0.13 -1.97 -0.77 132.00 143.37 3abu h PRO 673 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3abu h PRO 673 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3abu h PRO 673 CO 1.13 0.00 -0.37 -1.13 -0.23 0.00 0.00 178.00 177.41 3abu n SER 674 N -3.24 0.42 -4.63 1.44 3.41 -1.26 -4.74 113.62 105.02 3abu n SER 674 Ca -0.03 0.05 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 3abu n SER 674 Cb 0.09 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 3abu n SER 674 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3abu s VAL 675 N -3.03 5.22 0.02 -3.33 1.01 -0.29 -4.96 120.40 115.03 3abu s VAL 675 Ca 0.11 0.52 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 3abu s VAL 675 Cb 0.17 -3.66 -0.24 0.00 0.00 0.00 0.00 36.38 32.65 3abu s VAL 675 CO 0.65 0.22 1.11 0.78 0.00 0.00 0.00 175.10 177.87 3abu h ASN 676 N 7.86 0.62 -5.15 3.32 -0.26 -1.80 -3.41 115.58 116.76 3abu h ASN 676 Ca -0.34 -0.76 -0.11 0.00 -0.56 0.00 0.00 56.30 54.53 3abu h ASN 676 Cb 1.17 -0.19 -0.16 0.00 -1.06 0.00 0.00 38.32 38.08 3abu h ASN 676 CO 0.66 1.30 -0.53 -1.48 -1.06 0.00 0.00 177.43 176.32 3abu s LEU 677 N -8.27 1.90 -0.17 1.61 2.34 -1.26 0.88 118.68 115.71 3abu s LEU 677 Ca -0.12 -0.70 -0.17 0.00 0.06 0.00 0.00 54.13 53.20 3abu s LEU 677 Cb 0.04 0.60 0.05 0.00 -0.56 0.00 0.00 46.19 46.32 3abu s LEU 677 CO 0.85 -0.59 0.47 0.72 -1.06 0.00 0.00 176.35 176.73 3abu s PHE 678 N -3.33 -0.51 0.27 3.48 -0.12 -0.35 -4.00 117.98 113.42 3abu s PHE 678 Ca 0.01 1.22 0.02 0.00 -0.05 0.00 0.00 56.93 58.14 3abu s PHE 678 Cb 0.03 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 3abu s PHE 678 CO -0.08 -0.26 0.43 0.20 -0.05 0.00 0.00 175.22 175.45 3abu s GLY 679 N 0.15 1.38 -0.12 1.99 0.00 0.14 -0.62 107.32 110.24 3abu s GLY 679 Ca -0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 3abu s GLY 679 CO 0.01 -1.02 -0.09 -1.58 0.00 0.00 0.00 173.10 170.42 3abu s HIS 680 N -2.07 1.58 -0.10 1.90 5.04 0.10 -1.57 115.29 120.18 3abu s HIS 680 Ca 0.37 -0.80 -0.21 0.00 -1.54 0.00 0.00 55.06 52.88 3abu s HIS 680 Cb -0.10 -1.28 -0.04 0.00 0.04 0.00 0.00 32.58 31.21 3abu s HIS 680 CO 0.31 -0.53 0.61 0.08 -2.34 0.00 0.00 174.74 172.88 3abu s VAL 681 N 1.63 5.09 1.04 0.89 1.01 -0.31 -4.29 120.40 125.47 3abu s VAL 681 Ca 0.04 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 3abu s VAL 681 Cb -0.13 -3.95 0.22 0.00 0.00 0.00 0.00 36.38 32.52 3abu s VAL 681 CO -0.08 0.26 1.17 -0.83 0.00 0.00 0.00 175.10 175.62 3abu s GLY 682 N 0.79 1.63 -0.09 4.51 0.00 -1.26 -3.12 107.32 109.78 3abu s GLY 682 Ca 0.32 -0.86 0.13 0.00 0.00 0.00 0.00 44.72 44.32 3abu s GLY 682 CO 0.14 -0.11 0.47 1.44 0.00 0.00 0.00 173.10 175.04 3abu n SER 683 N -4.18 0.71 -4.28 1.64 7.64 -1.26 -4.71 113.62 109.18 3abu n SER 683 Ca 0.11 0.28 -0.19 0.00 1.01 0.00 0.00 58.87 60.09 3abu n SER 683 Cb 0.59 0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.87 3abu n SER 683 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3abu s THR 684 N -2.56 1.48 0.19 0.44 -4.23 -1.26 -4.96 115.64 104.73 3abu s THR 684 Ca -0.07 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 3abu s THR 684 Cb 0.07 -1.69 0.10 0.00 1.34 0.00 0.00 72.50 72.32 3abu s THR 684 CO 0.82 -0.44 1.79 0.74 -0.54 0.00 0.00 174.62 176.99 3abu h THR 685 N 3.29 0.95 -0.38 3.99 2.02 -1.96 -1.91 112.91 118.91 3abu h THR 685 Ca -0.40 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 66.67 3abu h THR 685 Cb 1.20 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 3abu h THR 685 CO 0.53 0.10 -0.11 0.00 0.37 0.00 0.00 175.52 176.41 3abu h ALA 686 N 1.30 0.23 -0.55 6.16 0.00 -2.02 -2.10 119.26 122.27 3abu h ALA 686 Ca 0.24 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 3abu h ALA 686 Cb 0.15 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3abu h ALA 686 CO -0.17 -0.47 0.15 0.43 0.00 0.00 0.00 179.25 179.19 3abu n SER 687 N -5.31 4.44 0.10 0.00 7.64 -1.05 -4.55 113.62 114.89 3abu n SER 687 Ca 0.02 -2.89 0.08 0.00 1.01 0.00 0.00 58.87 57.08 3abu n SER 687 Cb 0.22 -0.68 0.40 0.00 -1.01 0.00 0.00 64.21 63.14 3abu n SER 687 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3abu n ARG 688 N 0.13 0.10 -0.40 1.43 1.85 -0.74 -2.38 116.66 116.64 3abu n ARG 688 Ca 0.29 0.55 0.10 0.00 -1.00 0.00 0.00 57.85 57.79 3abu n ARG 688 Cb 1.13 -1.79 0.30 0.00 -1.05 0.00 0.00 32.46 31.05 3abu n ARG 688 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3abu n GLY 689 N -1.09 2.64 3.51 2.89 0.00 -1.26 -4.61 105.19 107.27 3abu n GLY 689 Ca -0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 3abu n GLY 689 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3abu s GLU 690 N -1.24 3.26 -1.42 1.61 2.12 -1.00 -0.28 118.70 121.75 3abu s GLU 690 Ca 0.45 -0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 3abu s GLU 690 Cb 0.25 -4.12 0.04 0.00 0.26 0.00 0.00 34.13 30.56 3abu s GLU 690 CO 0.28 -1.71 0.72 1.28 -0.54 0.00 0.00 175.26 175.28 3abu n LEU 691 N 7.96 -2.64 0.18 2.70 4.77 0.15 -4.86 117.00 125.26 3abu n LEU 691 Ca 0.01 -0.87 0.09 0.00 -0.03 0.00 0.00 56.01 55.21 3abu n LEU 691 Cb 0.47 -2.49 0.11 0.00 -2.33 0.00 0.00 43.42 39.18 3abu n LEU 691 CO 0.66 0.42 0.60 2.19 -1.33 0.00 0.00 177.39 179.93 3abu h PHE 692 N -1.89 0.00 -3.35 -1.77 -0.00 -1.73 -3.41 116.94 104.79 3abu h PHE 692 Ca -0.61 0.00 -0.47 0.00 -0.00 0.00 0.00 57.97 56.90 3abu h PHE 692 Cb 1.37 0.00 -0.35 0.00 -0.00 0.00 0.00 35.95 36.97 3abu h PHE 692 CO 0.51 0.15 -0.79 -1.17 -0.00 0.00 0.00 178.31 177.01 3abu s LEU 693 N -6.17 1.24 -0.09 2.10 2.96 -1.26 0.02 118.68 117.49 3abu s LEU 693 Ca 0.05 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3abu s LEU 693 Cb 0.06 -0.63 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 3abu s LEU 693 CO 0.71 -0.07 -0.08 -0.36 -1.32 0.00 0.00 176.35 175.22 3abu s PHE 694 N 1.22 2.90 -0.10 5.38 0.08 0.21 -1.45 117.98 126.22 3abu s PHE 694 Ca -0.06 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 56.89 3abu s PHE 694 Cb -0.14 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 3abu s PHE 694 CO -0.02 0.19 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.50 3abu s TRP 695 N -0.47 2.61 -0.58 0.36 0.52 0.45 -1.21 118.94 120.63 3abu s TRP 695 Ca 0.07 -0.90 -0.01 0.00 0.02 0.00 0.00 56.10 55.28 3abu s TRP 695 Cb -0.12 -1.73 0.15 0.00 -1.15 0.00 0.00 33.47 30.62 3abu s TRP 695 CO 0.02 -0.34 0.37 1.21 0.02 0.00 0.00 176.95 178.23 3abu s ASN 696 N 0.27 4.98 -0.01 2.95 3.04 0.25 -1.77 114.94 124.66 3abu s ASN 696 Ca -0.15 -2.83 0.05 0.00 0.04 0.00 0.00 52.86 49.97 3abu s ASN 696 Cb -0.17 -1.79 -0.08 0.00 -1.54 0.00 0.00 41.25 37.67 3abu s ASN 696 CO 0.08 -0.34 0.11 0.18 -3.04 0.00 0.00 177.10 174.09 3abu n LEU 697 N 3.47 0.00 -4.97 3.21 4.32 -1.26 -4.54 117.00 117.23 3abu n LEU 697 Ca 0.06 -0.01 -0.20 0.00 -0.02 0.00 0.00 56.01 55.85 3abu n LEU 697 Cb 0.37 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.18 3abu n LEU 697 CO 0.33 0.00 0.15 -0.31 -1.22 0.00 0.00 177.39 176.34 3abu s TYR 698 N -2.34 2.27 -0.01 -1.77 2.02 -1.26 -4.72 117.35 111.53 3abu s TYR 698 Ca -0.02 -0.57 -0.26 0.00 -0.37 0.00 0.00 57.07 55.86 3abu s TYR 698 Cb 0.03 -2.22 -0.20 0.00 -0.40 0.00 0.00 41.96 39.18 3abu s TYR 698 CO 0.21 -0.53 1.29 -0.22 -1.57 0.00 0.00 175.55 174.72 3abu h LYS 699 N 0.64 -0.02 -7.54 -0.62 1.63 -1.89 -3.46 116.57 105.31 3abu h LYS 699 Ca -0.37 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 58.96 3abu h LYS 699 Cb 1.28 0.01 0.12 0.00 -0.60 0.00 0.00 32.23 33.03 3abu h LYS 699 CO 0.49 0.42 0.35 0.00 -3.45 0.00 0.00 179.45 177.26 3abu s ALA 700 N -4.39 2.19 -1.12 5.00 0.00 -1.26 -4.91 121.76 117.26 3abu s ALA 700 Ca -0.16 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 3abu s ALA 700 Cb 0.02 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3abu s ALA 700 CO 0.66 -1.98 1.88 -2.14 0.00 0.00 0.00 175.76 174.18 3abu s PRO 701 N -5.40 2.78 -0.02 0.00 0.02 -1.26 -4.91 135.00 126.21 3abu s PRO 701 Ca 0.63 -1.08 0.02 0.00 0.02 0.00 0.00 61.00 60.59 3abu s PRO 701 Cb -0.13 -5.25 0.00 0.00 0.02 0.00 0.00 34.50 29.14 3abu s PRO 701 CO 0.51 -3.50 -0.06 0.42 -0.33 0.00 0.00 177.00 174.05 3abu s ILE 702 N 9.50 0.51 0.03 2.83 1.01 -1.26 -0.63 121.20 133.19 3abu s ILE 702 Ca 0.65 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 61.15 3abu s ILE 702 Cb -0.01 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3abu s ILE 702 CO 0.08 0.17 -0.20 -0.76 0.00 0.00 0.00 174.94 174.23 3abu s LEU 703 N 0.19 2.13 -0.06 2.97 1.43 -0.89 -4.37 118.68 120.09 3abu s LEU 703 Ca -0.02 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3abu s LEU 703 Cb -0.07 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 3abu s LEU 703 CO -0.00 0.17 -0.16 -0.76 0.23 0.00 0.00 176.35 175.83 3abu s LEU 704 N -0.99 2.62 -0.08 1.79 1.43 -0.73 -0.47 118.68 122.25 3abu s LEU 704 Ca 0.07 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3abu s LEU 704 Cb -0.08 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3abu s LEU 704 CO 0.01 0.30 -0.18 0.00 0.23 0.00 0.00 176.35 176.71 3abu s ALA 705 N -0.44 2.45 0.09 4.21 0.00 -0.30 -0.41 121.76 127.37 3abu s ALA 705 Ca 0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3abu s ALA 705 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3abu s ALA 705 CO 0.02 0.40 0.26 -0.51 0.00 0.00 0.00 175.76 175.93 3abu s LEU 706 N -0.16 4.33 -0.25 0.00 1.02 -0.53 -0.77 118.68 122.32 3abu s LEU 706 Ca -0.02 0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.48 3abu s LEU 706 Cb -0.14 -3.06 0.07 0.00 0.02 0.00 0.00 46.19 43.09 3abu s LEU 706 CO 0.04 0.13 0.02 -0.69 0.02 0.00 0.00 176.35 175.87 3abu s VAL 707 N -1.57 1.07 0.54 -1.59 1.01 0.34 -0.67 120.40 119.54 3abu s VAL 707 Ca 0.37 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3abu s VAL 707 Cb -0.13 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.71 3abu s VAL 707 CO 0.27 -0.33 0.35 0.00 0.00 0.00 0.00 175.10 175.38 3abu s ALA 708 N 1.57 4.41 0.00 5.51 0.00 0.61 -1.62 121.76 132.24 3abu s ALA 708 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3abu s ALA 708 Cb -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3abu s ALA 708 CO -0.12 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3abu n GLY 709 N -1.70 2.04 0.36 0.00 0.00 -1.24 -2.17 105.19 102.49 3abu n GLY 709 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3abu n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3abu h GLU 710 N 0.00 1.17 -0.37 1.61 5.08 -1.91 -2.82 114.58 117.34 3abu h GLU 710 Ca 0.00 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3abu h GLU 710 Cb 0.00 -0.26 -0.08 0.00 0.50 0.00 0.00 28.75 28.90 3abu h GLU 710 CO 0.00 0.78 -0.21 0.00 -1.00 0.00 0.00 179.01 178.57 3abu h ALA 711 N 1.41 0.04 -0.41 3.43 0.00 -1.69 -3.14 119.26 118.89 3abu h ALA 711 Ca 0.39 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.47 3abu h ALA 711 Cb 0.03 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3abu h ALA 711 CO -0.13 -0.59 -0.24 0.00 0.00 0.00 0.00 179.25 178.28 3abu n ALA 712 N -2.87 -0.26 0.18 0.00 0.00 -0.92 -0.31 120.51 116.32 3abu n ALA 712 Ca 0.02 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 3abu n ALA 712 Cb 0.29 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 3abu n ALA 712 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3abu h GLY 713 N 0.00 -0.44 0.28 0.00 0.00 -1.73 -3.13 103.07 98.06 3abu h GLY 713 Ca 0.07 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3abu h GLY 713 CO -0.39 -0.16 -0.31 -2.22 0.00 0.00 0.00 176.54 173.46 3abu h ILE 714 N -0.55 0.31 -0.57 2.60 2.04 -1.27 -1.89 117.51 118.18 3abu h ILE 714 Ca -0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.98 3abu h ILE 714 Cb 0.41 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3abu h ILE 714 CO 0.07 0.00 0.55 0.24 0.00 0.00 0.00 178.15 179.01 3abu h MET 715 N -0.44 0.00 0.00 2.37 2.86 -0.71 0.12 114.93 119.13 3abu h MET 715 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3abu h MET 715 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3abu h MET 715 CO -0.28 0.00 -0.07 0.93 1.06 0.00 0.00 176.91 178.55 3abu h GLU 716 N 0.00 0.00 -0.25 1.72 5.08 -1.28 -1.83 114.58 118.02 3abu h GLU 716 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3abu h GLU 716 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3abu h GLU 716 CO -0.00 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 3abu n ASN 717 N -3.80 1.01 -4.44 1.42 4.13 0.42 -4.80 115.26 109.20 3abu n ASN 717 Ca -0.02 -2.02 -0.33 0.00 1.68 0.00 0.00 54.58 53.89 3abu n ASN 717 Cb 0.16 -0.16 -0.14 0.00 -1.54 0.00 0.00 39.78 38.11 3abu n ASN 717 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3abu s ILE 718 N -1.74 2.96 0.67 2.41 1.01 -0.69 -5.11 121.20 120.72 3abu s ILE 718 Ca 0.11 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3abu s ILE 718 Cb 0.06 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3abu s ILE 718 CO 0.07 0.58 1.28 -0.94 0.00 0.00 0.00 174.94 175.93 3abu s SER 719 N -0.54 4.47 0.19 3.58 1.04 -1.26 -4.73 113.70 116.45 3abu s SER 719 Ca 0.07 2.57 -0.14 0.00 0.48 0.00 0.00 55.95 58.93 3abu s SER 719 Cb -0.11 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.58 3abu s SER 719 CO 0.01 -2.09 1.65 0.44 0.98 0.00 0.00 173.24 174.23 3abu h ASP 720 N 0.33 -0.43 -0.39 7.02 5.19 -1.96 -0.17 116.42 126.00 3abu h ASP 720 Ca -0.50 0.15 0.07 0.00 -0.62 0.00 0.00 57.03 56.14 3abu h ASP 720 Cb 1.33 0.31 -0.07 0.00 0.18 0.00 0.00 39.33 41.08 3abu h ASP 720 CO 0.52 -0.16 -0.01 0.44 -3.12 0.00 0.00 179.24 176.91 3abu h ASP 721 N 0.02 -0.19 -0.03 6.45 3.32 -1.99 0.23 116.42 124.23 3abu h ASP 721 Ca 0.26 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 3abu h ASP 721 Cb 0.40 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3abu h ASP 721 CO -0.53 -0.06 -0.01 0.58 -1.72 0.00 0.00 179.24 177.51 3abu h VAL 722 N 0.09 1.28 -0.70 -1.35 2.07 -1.74 0.36 116.25 116.25 3abu h VAL 722 Ca 0.19 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.93 3abu h VAL 722 Cb 0.28 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3abu h VAL 722 CO -0.34 0.23 0.46 -0.29 0.02 0.00 0.00 177.57 177.66 3abu h ILE 723 N -0.27 1.01 -0.05 4.57 6.09 -0.79 -0.70 117.51 127.36 3abu h ILE 723 Ca 0.01 -0.24 -0.03 0.00 -1.37 0.00 0.00 64.86 63.23 3abu h ILE 723 Cb 0.37 0.23 -0.00 0.00 0.47 0.00 0.00 36.82 37.90 3abu h ILE 723 CO 0.00 0.13 -0.07 0.58 -3.07 0.00 0.00 178.15 175.72 3abu h VAL 724 N 0.71 1.40 -0.87 2.19 2.07 -0.38 -2.82 116.25 118.54 3abu h VAL 724 Ca 0.30 -1.29 0.16 0.00 0.82 0.00 0.00 66.70 66.69 3abu h VAL 724 Cb 0.28 2.14 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 3abu h VAL 724 CO -0.10 0.35 0.45 1.23 0.02 0.00 0.00 177.57 179.52 3abu h GLY 725 N -0.33 1.44 1.54 2.17 0.00 -0.05 0.22 103.07 108.07 3abu h GLY 725 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 3abu h GLY 725 CO 0.02 -0.07 -0.03 3.21 0.00 0.00 0.00 176.54 179.67 3abu h ARG 726 N 0.61 0.56 -0.31 4.80 3.08 -1.13 -0.52 114.38 121.47 3abu h ARG 726 Ca 0.49 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 3abu h ARG 726 Cb 0.73 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3abu h ARG 726 CO -0.39 0.61 0.16 0.00 -1.07 0.00 0.00 179.97 179.29 3abu h LEU 728 N 0.38 1.13 0.19 0.00 3.38 -0.73 0.88 115.31 120.54 3abu h LEU 728 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3abu h LEU 728 Cb 0.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3abu h LEU 728 CO -0.02 0.91 -0.42 0.00 0.09 0.00 0.00 178.44 179.00 3abu h ALA 729 N 1.27 -0.97 -0.37 1.53 0.00 -0.74 0.49 119.26 120.47 3abu h ALA 729 Ca 0.32 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3abu h ALA 729 Cb 0.04 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3abu h ALA 729 CO -0.05 -1.05 -0.47 0.82 0.00 0.00 0.00 179.25 178.50 3abu h ILE 730 N -0.67 0.00 -0.32 0.00 1.08 -0.76 0.11 117.51 116.95 3abu h ILE 730 Ca -0.02 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 3abu h ILE 730 Cb 0.64 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.32 3abu h ILE 730 CO -0.18 0.00 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.01 3abu h LEU 731 N -0.32 -0.67 -0.94 1.44 -0.00 -0.59 -0.37 115.31 113.86 3abu h LEU 731 Ca 0.07 0.14 0.08 0.00 -0.00 0.00 0.00 57.88 58.17 3abu h LEU 731 Cb 0.49 0.34 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 3abu h LEU 731 CO -0.52 -0.24 0.59 0.11 -0.00 0.00 0.00 178.44 178.38 3abu h LYS 732 N -0.17 0.99 -0.75 1.13 1.57 0.65 0.39 116.57 120.38 3abu h LYS 732 Ca 0.16 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3abu h LYS 732 Cb 0.42 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3abu h LYS 732 CO -0.42 0.66 0.49 0.78 -0.57 0.00 0.00 179.45 180.39 3abu h GLY 733 N 1.02 1.06 0.33 3.86 0.00 0.82 3.11 103.07 113.27 3abu h GLY 733 Ca 0.43 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3abu h GLY 733 CO -0.21 0.39 -0.00 -2.22 0.00 0.00 0.00 176.54 174.50 3abu h ILE 734 N 1.02 1.52 -0.01 2.60 1.08 0.35 -3.38 117.51 120.70 3abu h ILE 734 Ca 0.27 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 3abu h ILE 734 Cb -0.11 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 3abu h ILE 734 CO -0.06 0.40 -0.73 0.49 -0.69 0.00 0.00 178.15 177.57 3abu n PHE 735 N -4.77 0.00 0.00 1.37 3.72 0.11 -4.97 117.46 112.92 3abu n PHE 735 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3abu n PHE 735 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3abu n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3abu n GLY 736 N 1.43 -0.87 3.68 1.37 0.00 1.04 -4.72 105.19 107.11 3abu n GLY 736 Ca 0.06 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 3abu n GLY 736 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3abu s SER 737 N -0.93 3.15 0.00 1.61 1.04 -1.23 -2.28 113.70 115.06 3abu s SER 737 Ca 0.00 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.66 3abu s SER 737 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3abu s SER 737 CO 0.00 -2.95 0.00 -1.54 0.98 0.00 0.00 173.24 169.73 3abu n SER 738 N -3.95 0.00 0.11 7.02 3.41 -1.26 -4.62 113.62 114.33 3abu n SER 738 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.82 3abu n SER 738 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 3abu n SER 738 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abu h ALA 739 N 0.00 0.63 -3.04 7.33 0.00 -1.74 -3.42 119.26 119.02 3abu h ALA 739 Ca 0.00 -0.20 -0.70 0.00 0.00 0.00 0.00 54.91 54.01 3abu h ALA 739 Cb 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 17.54 3abu h ALA 739 CO 0.00 0.23 -0.55 0.08 0.00 0.00 0.00 179.25 179.01 3abu s VAL 740 N -3.22 3.77 0.79 0.00 1.01 -1.23 -4.75 120.40 116.78 3abu s VAL 740 Ca 0.01 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 3abu s VAL 740 Cb 0.08 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.27 3abu s VAL 740 CO 0.77 -0.42 1.12 -2.16 0.00 0.00 0.00 175.10 174.41 3abu s PRO 741 N 1.34 1.60 0.29 2.72 0.04 -1.26 -4.98 135.00 134.75 3abu s PRO 741 Ca 0.02 -0.45 -0.28 0.00 0.04 0.00 0.00 61.00 60.33 3abu s PRO 741 Cb -0.22 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3abu s PRO 741 CO 0.01 -1.67 0.99 -0.65 0.04 0.00 0.00 177.00 175.72 3abu s GLN 742 N -5.45 4.66 0.13 4.56 -1.52 -1.26 -5.00 119.66 115.77 3abu s GLN 742 Ca 0.66 1.52 -0.31 0.00 -1.95 0.00 0.00 55.36 55.27 3abu s GLN 742 Cb -0.08 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.58 3abu s GLN 742 CO 0.47 0.31 1.43 -2.14 -0.25 0.00 0.00 175.29 175.12 3abu s PRO 743 N -1.62 4.30 0.31 2.91 0.02 -1.26 -4.78 135.00 134.87 3abu s PRO 743 Ca 0.46 2.14 0.16 0.00 0.02 0.00 0.00 61.00 63.78 3abu s PRO 743 Cb -0.25 -3.23 0.39 0.00 0.02 0.00 0.00 34.50 31.43 3abu s PRO 743 CO 0.31 -0.48 1.60 0.87 -0.33 0.00 0.00 177.00 178.97 3abu h LYS 744 N 6.81 0.00 -3.19 5.54 1.57 -0.88 -3.45 116.57 122.97 3abu h LYS 744 Ca -0.42 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.20 3abu h LYS 744 Cb 1.21 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.28 3abu h LYS 744 CO 0.88 0.49 -0.42 -1.21 -0.57 0.00 0.00 179.45 178.62 3abu s GLU 745 N -3.33 0.37 -0.00 3.15 0.41 -1.08 -5.05 118.70 113.17 3abu s GLU 745 Ca 0.01 0.15 -0.00 0.00 -0.41 0.00 0.00 54.97 54.72 3abu s GLU 745 Cb 0.10 0.17 0.01 0.00 -1.78 0.00 0.00 34.13 32.63 3abu s GLU 745 CO 0.72 -0.07 0.01 0.95 -0.49 0.00 0.00 175.26 176.38 3abu s THR 746 N -0.31 -0.01 -0.09 3.63 -4.23 -1.26 -0.66 115.64 112.71 3abu s THR 746 Ca -0.04 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3abu s THR 746 Cb -0.03 -0.03 0.02 0.00 1.34 0.00 0.00 72.50 73.80 3abu s THR 746 CO 0.01 0.02 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.30 3abu s VAL 747 N 0.21 1.23 -0.15 2.29 1.01 -0.81 -4.97 120.40 119.21 3abu s VAL 747 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3abu s VAL 747 Cb -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3abu s VAL 747 CO -0.01 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 3abu s VAL 748 N 0.98 1.33 0.36 2.92 1.01 -1.26 0.11 120.40 125.85 3abu s VAL 748 Ca -0.08 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 3abu s VAL 748 Cb -0.15 -1.36 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 3abu s VAL 748 CO -0.00 0.30 0.76 -0.94 0.00 0.00 0.00 175.10 175.22 3abu s SER 749 N 1.57 6.67 -0.40 3.32 1.04 -0.70 -5.02 113.70 120.17 3abu s SER 749 Ca 0.03 1.23 0.08 0.00 0.48 0.00 0.00 55.95 57.77 3abu s SER 749 Cb -0.14 -2.36 0.26 0.00 0.10 0.00 0.00 66.02 63.88 3abu s SER 749 CO -0.09 -0.30 0.60 0.54 0.98 0.00 0.00 173.24 174.98 3abu n ARG 750 N -0.78 0.75 0.15 4.02 1.74 -1.26 -4.47 116.66 116.80 3abu n ARG 750 Ca 0.03 -3.01 0.13 0.00 -0.77 0.00 0.00 57.85 54.23 3abu n ARG 750 Cb 0.53 -1.29 0.66 0.00 -1.02 0.00 0.00 32.46 31.34 3abu n ARG 750 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3abu h TRP 751 N 3.89 0.01 -0.17 -1.55 4.06 -1.92 -1.28 115.95 119.00 3abu h TRP 751 Ca 0.04 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 3abu h TRP 751 Cb 0.91 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3abu h TRP 751 CO 0.33 0.01 -0.23 -0.09 -3.56 0.00 0.00 178.44 174.90 3abu h ARG 752 N 0.01 0.46 -0.12 0.49 9.65 -1.86 -0.59 114.38 122.42 3abu h ARG 752 Ca 0.11 -0.26 -0.04 0.00 -1.10 0.00 0.00 59.98 58.69 3abu h ARG 752 Cb 0.42 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3abu h ARG 752 CO -0.00 0.85 -0.09 0.00 2.80 0.00 0.00 179.97 183.53 3abu h ALA 753 N 0.60 1.64 -1.69 2.80 0.00 -1.75 -3.33 119.26 117.53 3abu h ALA 753 Ca 0.02 -0.15 -0.61 0.00 0.00 0.00 0.00 54.91 54.17 3abu h ALA 753 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3abu h ALA 753 CO 0.05 0.27 1.48 -3.47 0.00 0.00 0.00 179.25 177.58 3abu n ASP 754 N -4.34 2.87 0.27 0.00 -0.08 -0.55 -4.83 116.55 109.89 3abu n ASP 754 Ca -0.01 0.23 0.10 0.00 -1.51 0.00 0.00 54.79 53.60 3abu n ASP 754 Cb 0.22 -1.47 0.71 0.00 2.34 0.00 0.00 41.12 42.92 3abu n ASP 754 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3abu h PRO 755 N 14.46 0.00 -0.23 -0.67 0.13 -1.87 0.17 132.00 143.99 3abu h PRO 755 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3abu h PRO 755 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3abu h PRO 755 CO 0.99 0.01 0.00 0.91 -0.23 0.00 0.00 178.00 179.68 3abu n TRP 756 N -4.34 0.27 0.02 1.56 5.03 -1.26 -4.52 117.44 114.20 3abu n TRP 756 Ca -0.03 -0.13 0.00 0.00 3.03 0.00 0.00 57.50 60.37 3abu n TRP 756 Cb 0.10 -0.01 0.00 0.00 -1.03 0.00 0.00 31.31 30.37 3abu n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3abu n ALA 757 N 0.06 3.00 -2.88 6.99 0.00 -0.30 -4.84 120.51 122.54 3abu n ALA 757 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 3abu n ALA 757 Cb 0.18 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.67 3abu n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3abu n ARG 758 N -2.63 -3.39 0.00 0.00 5.12 0.45 -3.53 116.66 112.68 3abu n ARG 758 Ca 0.00 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 3abu n ARG 758 Cb 0.00 -4.01 0.00 0.00 -1.16 0.00 0.00 32.46 27.29 3abu n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3abu n GLY 759 N -1.14 3.35 0.07 -0.13 0.00 -0.28 -4.62 105.19 102.43 3abu n GLY 759 Ca -0.04 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 3abu n GLY 759 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3abu h SER 760 N 0.00 0.00 -4.80 1.61 4.64 -1.11 -3.44 113.55 110.46 3abu h SER 760 Ca 0.00 -0.38 0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3abu h SER 760 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 3abu h SER 760 CO 0.00 0.88 0.52 -0.72 -0.87 0.00 0.00 176.83 176.64 3abu s TYR 761 N -2.04 -0.28 1.05 4.77 1.13 -1.25 -4.96 117.35 115.76 3abu s TYR 761 Ca -0.14 0.12 -0.12 0.00 -1.41 0.00 0.00 57.07 55.52 3abu s TYR 761 Cb 0.01 0.56 0.22 0.00 -1.10 0.00 0.00 41.96 41.65 3abu s TYR 761 CO 0.35 -0.58 1.07 -1.54 -2.51 0.00 0.00 175.55 172.34 3abu s SER 762 N -2.58 1.96 -0.18 -0.18 1.04 -1.26 0.11 113.70 112.61 3abu s SER 762 Ca 0.07 1.62 -0.28 0.00 0.48 0.00 0.00 55.95 57.83 3abu s SER 762 Cb -0.01 -2.29 0.10 0.00 0.10 0.00 0.00 66.02 63.92 3abu s SER 762 CO -0.06 -3.61 0.86 -0.72 0.98 0.00 0.00 173.24 170.69 3abu s TYR 763 N -2.63 -0.56 -0.43 5.02 -0.85 -0.09 -4.65 117.35 113.16 3abu s TYR 763 Ca 0.67 1.15 -0.28 0.00 -0.52 0.00 0.00 57.07 58.09 3abu s TYR 763 Cb -0.23 0.38 -0.00 0.00 0.38 0.00 0.00 41.96 42.49 3abu s TYR 763 CO 0.61 -0.40 1.60 0.08 -1.52 0.00 0.00 175.55 175.92 3abu s VAL 764 N -0.52 3.67 0.58 -3.49 1.01 -1.26 -1.94 120.40 118.45 3abu s VAL 764 Ca -0.03 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 3abu s VAL 764 Cb -0.02 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3abu s VAL 764 CO 0.02 -0.72 1.01 0.00 0.00 0.00 0.00 175.10 175.41 3abu s ALA 765 N 6.47 3.06 -0.19 5.51 0.00 -1.26 -2.04 121.76 133.31 3abu s ALA 765 Ca 0.67 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 3abu s ALA 765 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3abu s ALA 765 CO 0.30 -0.52 1.73 0.00 0.00 0.00 0.00 175.76 177.27 3abu s ALA 766 N -2.91 3.25 0.00 0.00 0.00 -0.18 -1.08 121.76 120.83 3abu s ALA 766 Ca 0.57 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3abu s ALA 766 Cb -0.11 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3abu s ALA 766 CO 0.44 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.61 3abu n GLY 767 N 4.76 2.13 3.06 0.00 0.00 -1.26 -4.89 105.19 108.99 3abu n GLY 767 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3abu n GLY 767 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3abu n SER 768 N 0.00 2.22 -3.39 1.61 2.88 -0.24 -5.04 113.62 111.66 3abu n SER 768 Ca 0.00 -2.44 -0.08 0.00 -1.33 0.00 0.00 58.87 55.02 3abu n SER 768 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 3abu n SER 768 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3abu s SER 769 N -3.65 -0.12 0.18 -3.46 1.04 -1.26 -4.76 113.70 101.67 3abu s SER 769 Ca 0.31 -0.86 0.13 0.00 0.48 0.00 0.00 55.95 56.00 3abu s SER 769 Cb -0.02 0.77 0.68 0.00 0.10 0.00 0.00 66.02 67.55 3abu s SER 769 CO 0.20 -1.49 1.39 0.61 0.98 0.00 0.00 173.24 174.93 3abu n GLY 770 N -0.50 -0.73 0.24 7.32 0.00 -1.26 -1.30 105.19 108.95 3abu n GLY 770 Ca -0.06 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3abu n GLY 770 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3abu h ASN 771 N 0.00 0.00 1.40 1.61 -1.24 -1.99 -2.73 115.58 112.63 3abu h ASN 771 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 3abu h ASN 771 Cb 0.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 3abu h ASN 771 CO 0.00 0.08 -0.16 0.44 -1.29 0.00 0.00 177.43 176.49 3abu h ASP 772 N 0.00 0.00 0.41 1.15 3.32 -1.61 -1.69 116.42 118.01 3abu h ASP 772 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3abu h ASP 772 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3abu h ASP 772 CO 0.01 0.16 -0.57 1.88 -1.72 0.00 0.00 179.24 179.00 3abu h TYR 773 N 0.00 0.20 -0.01 4.55 0.05 -1.64 -1.22 116.97 118.90 3abu h TYR 773 Ca -0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3abu h TYR 773 Cb 0.90 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3abu h TYR 773 CO 0.00 0.69 -0.06 -0.44 -1.05 0.00 0.00 178.16 177.30 3abu h ASP 774 N 0.12 0.08 -0.62 3.88 3.32 -1.50 -2.77 116.42 118.93 3abu h ASP 774 Ca -0.00 -0.65 0.13 0.00 0.02 0.00 0.00 57.03 56.53 3abu h ASP 774 Cb 1.04 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3abu h ASP 774 CO 0.08 0.72 0.43 -0.07 -1.72 0.00 0.00 179.24 178.67 3abu h LEU 775 N -0.55 0.27 0.57 1.55 3.38 -1.23 -1.24 115.31 118.06 3abu h LEU 775 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3abu h LEU 775 Cb 0.71 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.42 3abu h LEU 775 CO 0.01 0.15 -0.27 0.24 0.09 0.00 0.00 178.44 178.66 3abu h MET 776 N 0.30 -0.74 -0.18 1.13 2.86 -1.20 -2.97 114.93 114.12 3abu h MET 776 Ca 0.30 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 3abu h MET 776 Cb 0.76 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 3abu h MET 776 CO -0.07 -0.43 0.29 0.00 1.06 0.00 0.00 176.91 177.75 3abu h ALA 777 N -0.86 1.70 -2.11 6.32 0.00 -1.06 -3.43 119.26 119.81 3abu h ALA 777 Ca -0.08 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 3abu h ALA 777 Cb 0.65 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.47 3abu h ALA 777 CO 0.13 -0.38 1.20 1.04 0.00 0.00 0.00 179.25 181.24 3abu n GLN 778 N -3.47 2.39 -1.09 0.00 1.13 -0.54 -4.40 117.38 111.40 3abu n GLN 778 Ca 0.02 0.86 -0.33 0.00 -1.94 0.00 0.00 57.00 55.61 3abu n GLN 778 Cb 0.40 -2.84 0.12 0.00 0.11 0.00 0.00 30.24 28.04 3abu n GLN 778 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3abu s PRO 779 N 4.54 1.66 -0.20 -1.09 0.02 -1.26 -4.77 135.00 133.90 3abu s PRO 779 Ca 0.93 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 63.52 3abu s PRO 779 Cb -0.57 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 3abu s PRO 779 CO 0.46 -2.16 -0.04 0.42 -0.33 0.00 0.00 177.00 175.35 3abu s ILE 780 N -2.37 3.61 0.08 2.83 -1.09 0.71 -5.01 121.20 119.97 3abu s ILE 780 Ca 0.70 -0.43 0.10 0.00 -2.23 0.00 0.00 60.65 58.79 3abu s ILE 780 Cb -0.25 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 3abu s ILE 780 CO 0.52 0.44 -0.26 0.42 -1.23 0.00 0.00 174.94 174.83 3abu s THR 781 N 1.06 2.23 -0.13 2.92 -4.23 -1.26 -2.26 115.64 113.96 3abu s THR 781 Ca 0.01 -1.53 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 3abu s THR 781 Cb -0.15 -1.92 -0.24 0.00 1.34 0.00 0.00 72.50 71.54 3abu s THR 781 CO 0.00 0.25 0.39 -0.81 -0.54 0.00 0.00 174.62 173.92 3abu n PRO 782 N 1.40 0.66 -0.00 3.99 -0.04 -1.26 -4.99 135.00 134.75 3abu n PRO 782 Ca -0.17 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 3abu n PRO 782 Cb 0.52 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 3abu n PRO 782 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3abu n PRO 792 N -2.74 1.25 -3.74 0.54 -0.04 -1.26 -4.78 135.00 124.23 3abu n PRO 792 Ca -0.21 -0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.04 3abu n PRO 792 Cb 0.97 -1.23 -0.15 0.00 -0.04 0.00 0.00 33.50 33.06 3abu n PRO 792 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3abu s ILE 793 N -2.64 -0.08 -0.10 0.52 1.10 -1.26 -5.12 121.20 113.62 3abu s ILE 793 Ca -0.01 0.21 -0.36 0.00 -0.51 0.00 0.00 60.65 59.97 3abu s ILE 793 Cb 0.09 -0.24 -0.14 0.00 0.15 0.00 0.00 42.46 42.32 3abu s ILE 793 CO 0.53 0.08 1.76 -2.65 -2.11 0.00 0.00 174.94 172.55 3abu n PRO 794 N 4.35 1.78 -0.05 3.50 -0.02 -1.26 -4.76 135.00 138.54 3abu n PRO 794 Ca -0.24 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 3abu n PRO 794 Cb 0.51 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3abu n PRO 794 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3abu n ARG 795 N 5.55 0.24 -3.38 -0.52 3.00 -1.05 -4.99 116.66 115.51 3abu n ARG 795 Ca 0.23 0.10 -0.38 0.00 -0.00 0.00 0.00 57.85 57.80 3abu n ARG 795 Cb 0.23 -0.90 -0.07 0.00 0.00 0.00 0.00 32.46 31.72 3abu n ARG 795 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3abu s LEU 796 N -6.77 4.19 0.05 6.15 2.96 -0.96 -2.15 118.68 122.15 3abu s LEU 796 Ca -0.15 0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 3abu s LEU 796 Cb 0.05 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3abu s LEU 796 CO 0.20 -0.05 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.59 3abu s PHE 797 N 1.08 1.98 0.01 5.38 0.40 0.77 -0.21 117.98 127.40 3abu s PHE 797 Ca 0.20 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 3abu s PHE 797 Cb -0.15 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 3abu s PHE 797 CO 0.08 0.13 -0.17 -0.06 0.70 0.00 0.00 175.22 175.90 3abu s PHE 798 N -0.85 2.60 0.19 0.36 0.40 -1.26 0.14 117.98 119.56 3abu s PHE 798 Ca 0.09 -0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3abu s PHE 798 Cb -0.09 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3abu s PHE 798 CO 0.02 0.21 0.26 0.00 0.70 0.00 0.00 175.22 176.41 3abu s ALA 799 N -0.84 0.37 0.00 5.36 0.00 -0.63 -4.73 121.76 121.28 3abu s ALA 799 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3abu s ALA 799 Cb -0.11 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.06 3abu s ALA 799 CO 0.03 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3abu n GLY 800 N -0.25 3.51 0.59 0.00 0.00 -1.26 -4.13 105.19 103.64 3abu n GLY 800 Ca -0.03 -1.84 0.44 0.00 0.00 0.00 0.00 46.02 44.59 3abu n GLY 800 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3abu h GLU 801 N 0.00 0.03 -0.27 1.61 -0.00 -1.84 0.56 114.58 114.67 3abu h GLU 801 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3abu h GLU 801 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.74 3abu h GLU 801 CO 0.00 0.02 0.00 -2.39 -0.00 0.00 0.00 179.01 176.64 3abu n HIS 802 N -4.25 0.35 0.05 2.06 1.44 -1.26 -3.13 115.22 110.49 3abu n HIS 802 Ca 0.38 -0.17 0.01 0.00 -2.01 0.00 0.00 57.72 55.93 3abu n HIS 802 Cb 1.66 -0.01 -0.00 0.00 0.12 0.00 0.00 29.99 31.76 3abu n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3abu n THR 803 N 0.24 0.00 -3.61 0.61 -2.24 0.20 -4.67 114.28 104.80 3abu n THR 803 Ca 0.08 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 61.00 3abu n THR 803 Cb 0.22 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.39 3abu n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3abu s ILE 804 N -0.91 4.32 0.32 2.28 -1.16 -1.21 -4.17 121.20 120.67 3abu s ILE 804 Ca 0.01 -3.22 0.08 0.00 -0.51 0.00 0.00 60.65 57.00 3abu s ILE 804 Cb 0.01 -3.73 0.36 0.00 0.61 0.00 0.00 42.46 39.71 3abu s ILE 804 CO 0.04 -0.99 1.60 -0.09 -2.81 0.00 0.00 174.94 172.69 3abu h ARG 805 N 6.77 0.08 0.00 3.50 2.43 -1.86 -1.30 114.38 124.00 3abu h ARG 805 Ca 0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3abu h ARG 805 Cb 0.91 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3abu h ARG 805 CO 0.78 0.05 -0.30 -0.91 -1.51 0.00 0.00 179.97 178.08 3abu h ASN 806 N 0.08 0.00 -1.06 -3.80 2.35 -1.95 -3.36 115.58 107.84 3abu h ASN 806 Ca 0.66 -0.04 -0.39 0.00 -0.55 0.00 0.00 56.30 55.98 3abu h ASN 806 Cb 1.50 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.47 3abu h ASN 806 CO -0.79 0.02 -1.12 -1.22 -1.65 0.00 0.00 177.43 172.68 3abu n TYR 807 N -2.61 1.54 -1.68 1.19 4.01 -0.83 -4.77 117.16 114.01 3abu n TYR 807 Ca 0.04 -2.81 -0.33 0.00 -0.16 0.00 0.00 57.90 54.63 3abu n TYR 807 Cb 0.49 -0.32 0.06 0.00 -0.31 0.00 0.00 39.34 39.25 3abu n TYR 807 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3abu s PRO 808 N -3.22 2.68 -1.48 -0.72 0.04 -0.55 -3.65 135.00 128.10 3abu s PRO 808 Ca 0.31 1.40 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 3abu s PRO 808 Cb 0.44 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 33.07 3abu s PRO 808 CO -0.00 -1.34 0.41 0.00 0.04 0.00 0.00 177.00 176.11 3abu n ALA 809 N -2.55 -0.91 -2.17 8.56 0.00 -1.18 -4.93 120.51 117.32 3abu n ALA 809 Ca 0.11 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 3abu n ALA 809 Cb 0.52 -3.11 -0.10 0.00 0.00 0.00 0.00 19.45 16.76 3abu n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3abu s THR 810 N -3.04 0.57 0.11 0.00 -4.23 -1.26 -4.93 115.64 102.86 3abu s THR 810 Ca 0.24 -1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 3abu s THR 810 Cb -0.11 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 3abu s THR 810 CO 0.30 -0.78 1.64 0.58 -0.54 0.00 0.00 174.62 175.82 3abu h VAL 811 N 2.93 1.19 -0.08 2.29 2.07 -1.92 0.26 116.25 122.99 3abu h VAL 811 Ca -0.35 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 3abu h VAL 811 Cb 1.17 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3abu h VAL 811 CO 0.64 0.20 -0.39 1.12 0.02 0.00 0.00 177.57 179.16 3abu h HIS 812 N 0.33 0.19 0.20 1.57 -0.00 -1.96 0.66 115.15 116.14 3abu h HIS 812 Ca 0.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 3abu h HIS 812 Cb 0.21 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3abu h HIS 812 CO -0.00 0.54 -0.10 0.78 -0.00 0.00 0.00 177.93 179.15 3abu h GLY 813 N 1.20 -0.28 0.28 6.13 0.00 -1.48 -0.73 103.07 108.19 3abu h GLY 813 Ca 0.01 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.51 3abu h GLY 813 CO 0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 176.54 176.37 3abu h ALA 814 N 0.51 0.14 -0.12 3.60 0.00 -0.06 -1.07 119.26 122.26 3abu h ALA 814 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3abu h ALA 814 Cb 0.23 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3abu h ALA 814 CO 0.04 -0.51 -0.50 1.25 0.00 0.00 0.00 179.25 179.53 3abu h LEU 815 N -0.07 -1.59 -0.49 0.00 5.85 -0.38 -1.31 115.31 117.34 3abu h LEU 815 Ca 0.16 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.10 3abu h LEU 815 Cb 0.30 0.63 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 3abu h LEU 815 CO -0.36 -0.47 0.27 -0.07 -0.34 0.00 0.00 178.44 177.47 3abu h LEU 816 N -0.56 0.41 -2.12 2.25 3.38 -0.82 -0.52 115.31 117.33 3abu h LEU 816 Ca 0.05 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3abu h LEU 816 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3abu h LEU 816 CO -0.42 0.29 0.24 0.77 0.09 0.00 0.00 178.44 179.40 3abu h SER 817 N 0.53 0.00 0.40 -0.43 4.64 -0.65 0.57 113.55 118.60 3abu h SER 817 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3abu h SER 817 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3abu h SER 817 CO -0.12 0.00 -0.19 1.23 -0.87 0.00 0.00 176.83 176.88 3abu h GLY 818 N 0.00 -0.56 -0.13 -0.77 0.00 0.03 -2.72 103.07 98.92 3abu h GLY 818 Ca 0.13 0.21 0.25 0.00 0.00 0.00 0.00 47.33 47.91 3abu h GLY 818 CO -0.00 -0.20 0.61 1.41 0.00 0.00 0.00 176.54 178.36 3abu h LEU 819 N -0.82 0.64 0.38 3.11 3.38 -0.66 -0.89 115.31 120.45 3abu h LEU 819 Ca -0.05 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3abu h LEU 819 Cb 0.41 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3abu h LEU 819 CO 0.09 0.11 -0.52 -0.09 0.09 0.00 0.00 178.44 178.13 3abu h ARG 820 N 0.56 -0.90 -0.62 1.13 2.43 0.13 -1.77 114.38 115.33 3abu h ARG 820 Ca 0.63 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.78 3abu h ARG 820 Cb 1.27 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 3abu h ARG 820 CO -0.43 -0.60 0.06 0.93 -1.51 0.00 0.00 179.97 178.42 3abu h GLU 821 N -0.93 1.05 -0.61 0.20 4.39 -1.03 -1.62 114.58 116.02 3abu h GLU 821 Ca -0.05 -0.30 0.12 0.00 0.34 0.00 0.00 59.36 59.47 3abu h GLU 821 Cb 0.84 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.28 3abu h GLU 821 CO -0.13 0.99 0.11 0.00 -1.16 0.00 0.00 179.01 178.82 3abu h ALA 822 N 1.07 0.71 0.22 3.43 0.00 -1.05 0.34 119.26 123.98 3abu h ALA 822 Ca 0.19 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3abu h ALA 822 Cb 0.48 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3abu h ALA 822 CO 0.02 -0.33 -0.11 0.78 0.00 0.00 0.00 179.25 179.62 3abu h GLY 823 N 0.23 -0.31 0.18 0.00 0.00 -0.92 -0.47 103.07 101.78 3abu h GLY 823 Ca 0.32 0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.90 3abu h GLY 823 CO -0.44 -0.11 0.26 -0.09 0.00 0.00 0.00 176.54 176.16 3abu h ARG 824 N -0.46 0.39 -0.22 4.80 2.43 -0.42 0.78 114.38 121.68 3abu h ARG 824 Ca -0.03 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3abu h ARG 824 Cb 0.35 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3abu h ARG 824 CO 0.05 0.26 -0.17 0.82 -1.51 0.00 0.00 179.97 179.42 3abu h ILE 825 N 0.41 1.32 -0.71 1.20 2.04 -0.28 -2.50 117.51 118.98 3abu h ILE 825 Ca 0.39 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3abu h ILE 825 Cb 0.57 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 3abu h ILE 825 CO -0.40 0.40 0.43 0.00 0.00 0.00 0.00 178.15 178.59 3abu h ALA 826 N 0.68 0.94 -0.53 1.87 0.00 -0.41 0.21 119.26 122.03 3abu h ALA 826 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3abu h ALA 826 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3abu h ALA 826 CO 0.04 0.18 0.35 -0.44 0.00 0.00 0.00 179.25 179.39 3abu h ASP 827 N 0.83 0.57 0.12 0.00 3.32 -0.74 0.23 116.42 120.76 3abu h ASP 827 Ca 0.30 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 3abu h ASP 827 Cb 0.07 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.51 3abu h ASP 827 CO -0.13 0.41 -1.01 1.56 -1.72 0.00 0.00 179.24 178.35 3abu h GLN 828 N 0.67 0.47 0.00 3.56 1.08 -0.63 -2.00 115.11 118.26 3abu h GLN 828 Ca 0.20 -0.67 -0.29 0.00 -1.45 0.00 0.00 58.65 56.44 3abu h GLN 828 Cb -0.01 0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 3abu h GLN 828 CO -0.05 1.29 -1.94 1.19 -0.95 0.00 0.00 178.83 178.38 3abu n PHE 829 N -3.98 0.59 0.50 2.96 3.72 0.58 -4.29 117.46 117.53 3abu n PHE 829 Ca -0.14 0.21 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 3abu n PHE 829 Cb 0.89 -1.08 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 3abu n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3abu n LEU 830 N -2.88 0.50 0.00 4.37 4.32 0.66 -4.98 117.00 118.98 3abu n LEU 830 Ca -0.22 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 3abu n LEU 830 Cb 1.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.85 3abu n LEU 830 CO 0.44 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 3abu n GLY 831 N 1.35 3.64 3.81 -0.72 0.00 -0.31 -4.50 105.19 108.47 3abu n GLY 831 Ca 0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3abu n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abu s ALA 832 N -1.88 3.05 0.00 4.61 0.00 -1.26 -4.22 121.76 122.06 3abu s ALA 832 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 3abu s ALA 832 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3abu s ALA 832 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.87