#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvp h MET -1 N 0.00 0.09 0.00 4.33 4.05 -1.90 0.11 114.93 121.61 3gvp h MET -1 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3gvp h MET -1 Cb 0.00 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 3gvp h MET -1 CO 0.00 0.06 0.00 1.63 0.23 0.00 0.00 176.91 178.83 3gvp n LYS 175 N -4.60 0.21 -2.53 0.39 5.02 -1.26 -4.00 118.16 111.39 3gvp n LYS 175 Ca 0.36 0.30 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 3gvp n LYS 175 Cb 1.43 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 34.63 3gvp n LYS 175 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gvp n GLN 176 N -2.20 4.78 -4.16 1.97 1.13 0.02 -4.95 117.38 113.97 3gvp n GLN 176 Ca 0.04 -4.21 -0.15 0.00 -1.94 0.00 0.00 57.00 50.74 3gvp n GLN 176 Cb 0.33 -2.58 -0.11 0.00 0.11 0.00 0.00 30.24 27.99 3gvp n GLN 176 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3gvp s GLN 177 N -2.60 0.81 0.07 -1.09 -0.21 -1.26 -4.85 119.66 110.53 3gvp s GLN 177 Ca 0.41 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.77 3gvp s GLN 177 Cb 0.14 -0.55 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 3gvp s GLN 177 CO -0.05 0.09 -0.19 0.15 -2.12 0.00 0.00 175.29 173.18 3gvp s LYS 178 N -2.49 1.12 0.85 2.91 1.02 -1.26 -4.34 119.74 117.55 3gvp s LYS 178 Ca 0.02 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 54.92 3gvp s LYS 178 Cb -0.05 -1.26 0.14 0.00 -0.52 0.00 0.00 37.83 36.15 3gvp s LYS 178 CO 0.00 0.30 1.18 0.54 -0.92 0.00 0.00 175.35 176.46 3gvp s ASN 179 N -1.52 3.87 0.00 2.83 2.20 -0.67 -4.92 114.94 116.73 3gvp s ASN 179 Ca 0.05 0.27 0.02 0.00 -0.94 0.00 0.00 52.86 52.26 3gvp s ASN 179 Cb -0.09 -0.56 0.13 0.00 -2.00 0.00 0.00 41.25 38.73 3gvp s ASN 179 CO 0.03 -2.24 0.68 -1.54 -2.94 0.00 0.00 177.10 171.09 3gvp n SER 180 N -3.37 0.00 -0.44 3.54 3.41 -1.26 -1.16 113.62 114.33 3gvp n SER 180 Ca 0.13 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.78 3gvp n SER 180 Cb 0.60 -0.06 0.10 0.00 -0.26 0.00 0.00 64.21 64.58 3gvp n SER 180 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gvp n LYS 181 N -1.06 2.28 -0.82 4.33 5.02 -1.26 -4.98 118.16 121.67 3gvp n LYS 181 Ca 0.02 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 3gvp n LYS 181 Cb 0.01 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3gvp n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gvp n GLY 182 N 0.30 0.98 3.77 0.72 0.00 -0.31 -5.04 105.19 105.61 3gvp n GLY 182 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3gvp n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvp s SER 183 N -3.02 7.05 -0.14 1.61 0.15 -1.26 -4.80 113.70 113.28 3gvp s SER 183 Ca 0.00 2.16 0.16 0.00 0.70 0.00 0.00 55.95 58.97 3gvp s SER 183 Cb 0.00 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 62.01 3gvp s SER 183 CO 0.00 -0.29 1.16 -1.54 1.20 0.00 0.00 173.24 173.77 3gvp n SER 184 N 0.64 2.01 -3.80 5.45 3.41 -1.26 -1.67 113.62 118.39 3gvp n SER 184 Ca 0.02 -3.19 -0.42 0.00 -0.26 0.00 0.00 58.87 55.01 3gvp n SER 184 Cb 0.47 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3gvp n SER 184 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gvp n ASP 185 N -1.23 4.16 -3.60 4.04 2.03 -1.26 -4.75 116.55 115.94 3gvp n ASP 185 Ca 0.15 -2.89 0.01 0.00 0.52 0.00 0.00 54.79 52.58 3gvp n ASP 185 Cb 0.67 -1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.43 3gvp n ASP 185 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3gvp s PHE 186 N 2.73 -0.00 -0.13 -0.67 -0.12 -1.26 -4.03 117.98 114.49 3gvp s PHE 186 Ca 0.46 0.00 -0.04 0.00 -0.05 0.00 0.00 56.93 57.30 3gvp s PHE 186 Cb 0.13 0.50 0.06 0.00 -0.63 0.00 0.00 43.02 43.08 3gvp s PHE 186 CO -0.06 -0.01 0.16 0.00 -0.05 0.00 0.00 175.22 175.25 3gvp s VAL 188 N 2.27 0.46 0.16 0.00 1.01 -1.26 -1.12 120.40 121.92 3gvp s VAL 188 Ca 0.04 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3gvp s VAL 188 Cb -0.14 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3gvp s VAL 188 CO -0.08 -0.37 1.75 0.50 0.00 0.00 0.00 175.10 176.90 3gvp h LYS 189 N 4.61 0.29 -0.98 2.72 1.63 -1.88 -3.43 116.57 119.53 3gvp h LYS 189 Ca -0.35 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.45 3gvp h LYS 189 Cb 1.20 -0.06 -0.21 0.00 -0.60 0.00 0.00 32.23 32.56 3gvp h LYS 189 CO 0.41 0.19 -0.38 1.21 -3.45 0.00 0.00 179.45 177.43 3gvp s ASN 190 N -5.37 -1.59 0.58 4.20 2.47 -1.26 -4.89 114.94 109.08 3gvp s ASN 190 Ca -0.13 0.01 0.28 0.00 0.42 0.00 0.00 52.86 53.44 3gvp s ASN 190 Cb 0.12 2.00 1.58 0.00 -1.45 0.00 0.00 41.25 43.50 3gvp s ASN 190 CO 0.71 -0.27 2.06 -0.29 -3.72 0.00 0.00 177.10 175.59 3gvp h ILE 191 N 5.77 0.51 0.00 -5.21 6.09 -1.93 -1.23 117.51 121.52 3gvp h ILE 191 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3gvp h ILE 191 Cb 1.19 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.28 3gvp h ILE 191 CO 0.13 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.50 3gvp n LYS 192 N -3.90 0.03 0.00 2.19 5.02 -1.26 -1.44 118.16 118.81 3gvp n LYS 192 Ca 0.03 0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 3gvp n LYS 192 Cb 0.40 -1.56 0.53 0.00 -0.02 0.00 0.00 35.03 34.38 3gvp n LYS 192 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gvp n GLN 193 N -1.63 0.30 -0.24 1.97 6.02 -0.46 -4.36 117.38 118.99 3gvp n GLN 193 Ca 0.04 0.08 0.04 0.00 -0.01 0.00 0.00 57.00 57.15 3gvp n GLN 193 Cb 0.20 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.11 3gvp n GLN 193 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gvp h ALA 194 N 3.00 0.86 -0.61 -1.58 0.00 -1.45 -1.50 119.26 117.99 3gvp h ALA 194 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3gvp h ALA 194 Cb 0.20 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gvp h ALA 194 CO 0.00 -0.35 0.01 1.49 0.00 0.00 0.00 179.25 180.41 3gvp h GLU 195 N 0.24 1.06 -0.39 0.00 4.22 -1.85 0.13 114.58 117.99 3gvp h GLU 195 Ca 0.39 -0.33 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 3gvp h GLU 195 Cb 0.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3gvp h GLU 195 CO -0.51 1.03 0.13 0.35 -2.18 0.00 0.00 179.01 177.83 3gvp h PHE 196 N 0.97 0.62 -0.65 0.92 3.57 -1.75 -2.60 116.94 118.03 3gvp h PHE 196 Ca 0.18 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3gvp h PHE 196 Cb 0.54 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3gvp h PHE 196 CO 0.04 0.58 0.37 0.78 -2.23 0.00 0.00 178.31 177.85 3gvp h GLY 197 N 0.48 0.94 0.98 2.40 0.00 -0.85 -2.03 103.07 105.00 3gvp h GLY 197 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3gvp h GLY 197 CO -0.01 0.18 0.44 -0.09 0.00 0.00 0.00 176.54 177.06 3gvp h ARG 198 N 0.70 0.86 -0.51 4.80 9.65 -0.84 0.15 114.38 129.20 3gvp h ARG 198 Ca 0.28 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 3gvp h ARG 198 Cb 0.13 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 3gvp h ARG 198 CO -0.16 0.57 0.34 0.00 2.80 0.00 0.00 179.97 183.52 3gvp h ARG 199 N 0.89 0.64 -0.46 0.20 3.08 -1.07 -0.32 114.38 117.33 3gvp h ARG 199 Ca 0.25 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3gvp h ARG 199 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3gvp h ARG 199 CO -0.06 0.42 -0.21 0.93 -1.07 0.00 0.00 179.97 179.98 3gvp h GLU 200 N 0.66 0.94 -0.65 0.04 4.39 -0.36 -2.38 114.58 117.22 3gvp h GLU 200 Ca 0.19 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 3gvp h GLU 200 Cb -0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3gvp h GLU 200 CO -0.04 1.05 0.11 0.82 -1.16 0.00 0.00 179.01 179.79 3gvp h ILE 201 N 0.82 1.26 -0.48 3.13 2.04 -0.49 -1.40 117.51 122.39 3gvp h ILE 201 Ca 0.11 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 3gvp h ILE 201 Cb 0.77 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3gvp h ILE 201 CO 0.06 0.38 0.07 -0.33 0.00 0.00 0.00 178.15 178.33 3gvp h GLU 202 N 0.98 0.76 0.27 2.37 5.08 -0.99 -0.07 114.58 122.98 3gvp h GLU 202 Ca 0.20 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gvp h GLU 202 Cb 0.43 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3gvp h GLU 202 CO 0.01 0.72 -0.13 0.82 -1.00 0.00 0.00 179.01 179.43 3gvp h ILE 203 N 0.72 0.75 -0.79 3.13 2.04 -1.15 -2.77 117.51 119.43 3gvp h ILE 203 Ca 0.15 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3gvp h ILE 203 Cb 0.34 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3gvp h ILE 203 CO 0.01 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.59 3gvp h ALA 204 N 0.28 1.14 -0.60 1.87 0.00 -0.81 -1.49 119.26 119.65 3gvp h ALA 204 Ca -0.04 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3gvp h ALA 204 Cb 0.33 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3gvp h ALA 204 CO 0.06 -0.03 0.23 0.93 0.00 0.00 0.00 179.25 180.44 3gvp h GLU 205 N 0.65 0.41 -0.17 0.00 5.08 -0.91 -1.23 114.58 118.41 3gvp h GLU 205 Ca 0.40 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 3gvp h GLU 205 Cb 0.48 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gvp h GLU 205 CO -0.30 0.27 -0.12 1.96 -1.00 0.00 0.00 179.01 179.82 3gvp h GLN 206 N 0.42 0.28 -0.15 2.33 1.08 -1.00 -2.43 115.11 115.64 3gvp h GLN 206 Ca 0.30 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3gvp h GLN 206 Cb 0.35 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3gvp h GLN 206 CO -0.29 0.40 0.00 0.39 -0.95 0.00 0.00 178.83 178.39 3gvp n GLU 207 N -4.27 1.62 -2.94 1.46 1.02 -0.67 -4.25 120.64 112.61 3gvp n GLU 207 Ca -0.00 -0.94 -0.22 0.00 -0.02 0.00 0.00 57.16 55.98 3gvp n GLU 207 Cb 0.27 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 3gvp n GLU 207 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3gvp n MET 208 N 0.16 2.24 -0.02 3.49 2.81 -0.55 -4.43 117.12 120.83 3gvp n MET 208 Ca 0.16 -4.12 0.06 0.00 -1.81 0.00 0.00 57.70 51.98 3gvp n MET 208 Cb 0.29 -1.95 0.44 0.00 -0.71 0.00 0.00 33.22 31.29 3gvp n MET 208 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3gvp h PRO 209 N 2.94 0.51 -0.67 0.03 0.13 -1.74 -1.81 132.00 131.39 3gvp h PRO 209 Ca 0.12 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 3gvp h PRO 209 Cb 0.79 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 3gvp h PRO 209 CO 0.68 0.34 0.14 0.00 -0.23 0.00 0.00 178.00 178.93 3gvp h ALA 210 N 1.73 0.99 -0.26 -0.56 0.00 -1.92 0.30 119.26 119.54 3gvp h ALA 210 Ca 0.18 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3gvp h ALA 210 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gvp h ALA 210 CO -0.04 0.65 -0.58 1.25 0.00 0.00 0.00 179.25 180.52 3gvp h LEU 211 N 1.01 0.93 -1.21 0.00 5.85 -1.76 -1.34 115.31 118.80 3gvp h LEU 211 Ca 0.21 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3gvp h LEU 211 Cb 0.38 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3gvp h LEU 211 CO 0.01 1.31 -0.11 0.24 -0.34 0.00 0.00 178.44 179.54 3gvp h MET 212 N 0.63 0.41 -0.31 1.25 2.86 -1.07 0.52 114.93 119.22 3gvp h MET 212 Ca 0.00 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 3gvp h MET 212 Cb 1.19 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 3gvp h MET 212 CO 0.13 0.53 -0.33 0.00 1.06 0.00 0.00 176.91 178.29 3gvp h ALA 213 N 1.50 0.45 -0.41 6.32 0.00 -0.31 -1.03 119.26 125.79 3gvp h ALA 213 Ca 0.08 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3gvp h ALA 213 Cb 0.43 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3gvp h ALA 213 CO 0.02 0.51 0.14 1.25 0.00 0.00 0.00 179.25 181.17 3gvp h LEU 214 N 0.53 0.14 -0.01 0.00 5.85 -0.97 -0.43 115.31 120.42 3gvp h LEU 214 Ca 0.05 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3gvp h LEU 214 Cb 0.91 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 3gvp h LEU 214 CO 0.08 0.12 -0.34 -0.09 -0.34 0.00 0.00 178.44 177.87 3gvp h ARG 215 N 0.30 -0.47 -0.79 1.25 2.43 -0.69 -1.31 114.38 115.11 3gvp h ARG 215 Ca 0.19 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3gvp h ARG 215 Cb 0.18 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3gvp h ARG 215 CO -0.20 -0.31 0.38 -0.22 -1.51 0.00 0.00 179.97 178.10 3gvp h LYS 216 N -0.49 1.14 -0.29 0.20 3.64 -0.96 -0.99 116.57 118.81 3gvp h LYS 216 Ca 0.06 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 3gvp h LYS 216 Cb 0.58 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3gvp h LYS 216 CO -0.29 0.87 -0.46 0.00 -2.27 0.00 0.00 179.45 177.31 3gvp h ARG 217 N 1.13 0.76 0.00 1.90 2.47 -0.86 -3.35 114.38 116.43 3gvp h ARG 217 Ca 0.27 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3gvp h ARG 217 Cb 0.12 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 3gvp h ARG 217 CO -0.03 1.05 -1.47 0.00 0.56 0.00 0.00 179.97 180.08 3gvp n ALA 218 N -2.53 3.60 -0.06 0.04 0.00 -0.51 -4.61 120.51 116.44 3gvp n ALA 218 Ca -0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 3gvp n ALA 218 Cb 0.57 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 3gvp n ALA 218 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gvp h GLN 219 N 0.00 -0.35 -0.91 0.00 4.20 -1.32 -3.18 115.11 113.55 3gvp h GLN 219 Ca 0.00 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.89 3gvp h GLN 219 Cb 0.78 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.54 3gvp h GLN 219 CO 0.00 -0.23 0.51 0.78 -0.67 0.00 0.00 178.83 179.21 3gvp h GLY 220 N -0.36 1.52 1.80 3.46 0.00 -1.83 -0.15 103.07 107.51 3gvp h GLY 220 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3gvp h GLY 220 CO -0.46 -0.02 -0.10 -1.84 0.00 0.00 0.00 176.54 174.12 3gvp n GLU 221 N -4.81 0.01 -3.75 4.80 0.00 -1.20 -4.95 120.64 110.74 3gvp n GLU 221 Ca 0.19 0.01 -0.25 0.00 0.00 0.00 0.00 57.16 57.11 3gvp n GLU 221 Cb 0.46 -1.51 0.02 0.00 0.00 0.00 0.00 31.44 30.41 3gvp n GLU 221 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3gvp n LYS 222 N -1.53 -3.24 0.03 3.44 4.76 -0.07 -4.85 118.16 116.69 3gvp n LYS 222 Ca 0.07 0.52 0.04 0.00 -2.87 0.00 0.00 58.31 56.07 3gvp n LYS 222 Cb 0.34 -4.72 0.20 0.00 -1.84 0.00 0.00 35.03 29.01 3gvp n LYS 222 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3gvp n PRO 223 N -4.23 0.03 -0.34 1.97 -0.04 -1.15 -1.42 135.00 129.83 3gvp n PRO 223 Ca -0.23 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 63.72 3gvp n PRO 223 Cb 0.65 -1.57 0.22 0.00 -0.04 0.00 0.00 33.50 32.76 3gvp n PRO 223 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gvp n LEU 224 N -1.63 3.48 -4.68 1.53 4.77 -0.18 -4.78 117.00 115.52 3gvp n LEU 224 Ca 0.01 -2.65 -0.50 0.00 -0.03 0.00 0.00 56.01 52.84 3gvp n LEU 224 Cb 0.08 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 3gvp n LEU 224 CO 0.07 0.69 1.34 0.00 -1.33 0.00 0.00 177.39 178.15 3gvp n ALA 225 N -0.19 0.63 -0.31 -1.18 0.00 -0.50 -0.46 120.51 118.49 3gvp n ALA 225 Ca 0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gvp n ALA 225 Cb 0.71 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3gvp n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvp n GLY 226 N 3.95 1.51 3.72 0.00 0.00 -1.26 -5.00 105.19 108.12 3gvp n GLY 226 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3gvp n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvp s ALA 227 N -3.00 3.30 -0.33 4.61 0.00 0.39 -4.94 121.76 121.78 3gvp s ALA 227 Ca 0.00 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.70 3gvp s ALA 227 Cb 0.00 -3.36 0.10 0.00 0.00 0.00 0.00 23.12 19.85 3gvp s ALA 227 CO 0.00 -0.25 0.04 0.15 0.00 0.00 0.00 175.76 175.70 3gvp s LYS 228 N 0.51 1.45 -0.19 0.00 1.02 -1.26 -0.57 119.74 120.69 3gvp s LYS 228 Ca 0.52 -1.74 -0.06 0.00 0.02 0.00 0.00 55.97 54.71 3gvp s LYS 228 Cb -0.26 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3gvp s LYS 228 CO 0.30 -0.92 0.03 0.42 -0.92 0.00 0.00 175.35 174.27 3gvp s ILE 229 N 1.00 4.32 -0.21 2.17 1.01 0.16 0.26 121.20 129.91 3gvp s ILE 229 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3gvp s ILE 229 Cb -0.19 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3gvp s ILE 229 CO -0.10 0.44 0.08 0.68 0.00 0.00 0.00 174.94 176.04 3gvp s VAL 230 N 0.72 4.72 0.11 2.92 -7.23 -0.18 -1.42 120.40 120.03 3gvp s VAL 230 Ca 0.01 -0.05 0.09 0.00 -1.81 0.00 0.00 61.98 60.23 3gvp s VAL 230 Cb -0.14 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 3gvp s VAL 230 CO 0.02 0.40 -0.20 -0.83 -0.31 0.00 0.00 175.10 174.18 3gvp s GLY 231 N 0.88 1.65 -0.30 2.32 0.00 -0.59 -0.99 107.32 110.28 3gvp s GLY 231 Ca 0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 3gvp s GLY 231 CO 0.03 -1.33 0.17 0.00 0.00 0.00 0.00 173.10 171.97 3gvp n THR 233 N 5.03 0.00 -2.14 0.00 -2.24 -1.11 -0.90 114.28 112.92 3gvp n THR 233 Ca -0.02 -1.87 -0.42 0.00 -2.27 0.00 0.00 64.05 59.47 3gvp n THR 233 Cb 0.42 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3gvp n THR 233 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gvp s HIS 234 N -3.08 3.19 -0.90 4.78 3.76 -1.26 -1.84 115.29 119.93 3gvp s HIS 234 Ca 0.31 1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 56.13 3gvp s HIS 234 Cb -0.00 -3.70 0.22 0.00 1.11 0.00 0.00 32.58 30.21 3gvp s HIS 234 CO 0.22 -2.32 0.89 0.42 -0.85 0.00 0.00 174.74 173.10 3gvp s ILE 235 N 0.51 5.58 0.45 0.60 -1.09 -1.26 -4.64 121.20 121.34 3gvp s ILE 235 Ca 0.61 -2.56 0.05 0.00 -2.23 0.00 0.00 60.65 56.51 3gvp s ILE 235 Cb -0.38 -4.54 -0.05 0.00 -1.58 0.00 0.00 42.46 35.91 3gvp s ILE 235 CO 0.36 -1.13 0.01 0.42 -1.23 0.00 0.00 174.94 173.37 3gvp s THR 236 N 0.20 1.63 0.45 2.92 -4.23 -1.26 -0.79 115.64 114.56 3gvp s THR 236 Ca 0.23 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.85 3gvp s THR 236 Cb -0.09 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.37 3gvp s THR 236 CO -0.09 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.07 3gvp h ALA 237 N 1.61 1.86 -0.24 3.99 0.00 -1.94 -2.13 119.26 122.42 3gvp h ALA 237 Ca -0.44 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 3gvp h ALA 237 Cb 1.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gvp h ALA 237 CO 0.78 0.10 -0.36 1.96 0.00 0.00 0.00 179.25 181.73 3gvp h GLN 238 N 0.36 0.67 -0.87 0.00 7.50 -1.93 -2.46 115.11 118.38 3gvp h GLN 238 Ca 0.13 -0.40 -0.02 0.00 0.50 0.00 0.00 58.65 58.86 3gvp h GLN 238 Cb 0.08 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 3gvp h GLN 238 CO -0.03 1.02 0.47 1.15 -1.50 0.00 0.00 178.83 179.94 3gvp h THR 239 N 0.39 1.25 -0.62 -0.54 2.02 -1.74 -2.32 112.91 111.35 3gvp h THR 239 Ca 0.02 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.65 3gvp h THR 239 Cb 0.95 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 3gvp h THR 239 CO 0.08 0.29 0.26 0.00 0.37 0.00 0.00 175.52 176.52 3gvp h ALA 240 N 1.25 0.82 -0.88 6.16 0.00 -1.19 0.10 119.26 125.53 3gvp h ALA 240 Ca 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3gvp h ALA 240 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gvp h ALA 240 CO -0.05 -0.15 0.52 0.28 0.00 0.00 0.00 179.25 179.84 3gvp h VAL 241 N 0.46 1.24 -0.08 0.00 2.07 -0.96 0.11 116.25 119.09 3gvp h VAL 241 Ca 0.31 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3gvp h VAL 241 Cb 0.36 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3gvp h VAL 241 CO -0.29 0.26 0.03 0.25 0.02 0.00 0.00 177.57 177.84 3gvp h LEU 242 N 1.21 0.11 -0.72 2.57 5.85 -0.85 -1.35 115.31 122.12 3gvp h LEU 242 Ca 0.31 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3gvp h LEU 242 Cb -0.03 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3gvp h LEU 242 CO -0.06 0.26 0.42 0.24 -0.34 0.00 0.00 178.44 178.96 3gvp h MET 243 N -0.05 0.74 0.00 1.25 2.86 -0.29 -0.38 114.93 119.07 3gvp h MET 243 Ca 0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3gvp h MET 243 Cb 0.19 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3gvp h MET 243 CO -0.00 0.49 -0.12 0.93 1.06 0.00 0.00 176.91 179.27 3gvp h GLU 244 N 0.77 0.00 -0.38 1.72 5.08 -0.73 -1.50 114.58 119.54 3gvp h GLU 244 Ca 0.32 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3gvp h GLU 244 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3gvp h GLU 244 CO -0.18 0.12 -0.09 1.15 -1.00 0.00 0.00 179.01 179.02 3gvp h THR 245 N 0.00 1.28 -0.65 1.13 2.02 -0.22 -0.31 112.91 116.15 3gvp h THR 245 Ca -0.00 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 3gvp h THR 245 Cb 0.84 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3gvp h THR 245 CO 0.02 0.38 0.22 -0.07 0.37 0.00 0.00 175.52 176.44 3gvp h LEU 246 N 0.53 0.94 -0.04 2.58 3.38 -0.61 -0.99 115.31 121.09 3gvp h LEU 246 Ca 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gvp h LEU 246 Cb 0.60 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gvp h LEU 246 CO 0.04 0.88 0.02 1.23 0.09 0.00 0.00 178.44 180.70 3gvp h GLY 247 N 0.94 0.06 1.87 0.83 0.00 -1.27 -0.97 103.07 104.53 3gvp h GLY 247 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.53 3gvp h GLY 247 CO -0.01 0.02 0.05 0.00 0.00 0.00 0.00 176.54 176.61 3gvp h ALA 248 N 0.96 2.04 -0.01 3.60 0.00 -0.73 -0.01 119.26 125.11 3gvp h ALA 248 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gvp h ALA 248 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gvp h ALA 248 CO -0.00 -0.06 -0.04 1.28 0.00 0.00 0.00 179.25 180.43 3gvp n LEU 249 N -4.52 0.61 0.00 0.00 4.77 -0.40 -4.74 117.00 112.71 3gvp n LEU 249 Ca -0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3gvp n LEU 249 Cb 0.14 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3gvp n LEU 249 CO 0.34 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3gvp n GLY 250 N 1.15 0.92 3.82 -0.72 0.00 -0.02 -1.01 105.19 109.33 3gvp n GLY 250 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3gvp n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvp s ALA 251 N -2.00 2.90 -0.17 4.61 0.00 -0.41 -3.96 121.76 122.74 3gvp s ALA 251 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3gvp s ALA 251 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3gvp s ALA 251 CO 0.00 -0.46 0.06 -0.65 0.00 0.00 0.00 175.76 174.71 3gvp s GLN 252 N -3.89 3.86 0.02 0.00 -0.21 0.27 -4.25 119.66 115.45 3gvp s GLN 252 Ca 0.62 -0.34 0.07 0.00 0.02 0.00 0.00 55.36 55.73 3gvp s GLN 252 Cb -0.13 -3.17 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 3gvp s GLN 252 CO 0.31 0.34 -0.20 0.00 -2.12 0.00 0.00 175.29 173.62 3gvp s ARG 254 N -0.93 1.34 0.04 0.00 0.52 -0.50 -4.09 118.95 115.32 3gvp s ARG 254 Ca 0.07 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.36 3gvp s ARG 254 Cb -0.08 -1.46 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 3gvp s ARG 254 CO 0.01 0.37 -0.08 -0.46 0.02 0.00 0.00 175.30 175.16 3gvp s TRP 255 N -0.82 0.71 0.11 -0.53 -0.11 0.04 -1.54 118.94 116.78 3gvp s TRP 255 Ca 0.07 -0.41 0.01 0.00 1.22 0.00 0.00 56.10 56.99 3gvp s TRP 255 Cb -0.09 -0.42 -0.04 0.00 -1.50 0.00 0.00 33.47 31.42 3gvp s TRP 255 CO 0.02 -0.05 -0.03 0.00 -4.62 0.00 0.00 176.95 172.26 3gvp s ALA 256 N -1.11 0.96 0.42 5.86 0.00 -0.71 -0.67 121.76 126.52 3gvp s ALA 256 Ca -0.06 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.33 3gvp s ALA 256 Cb -0.08 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.27 3gvp s ALA 256 CO 0.00 -0.30 0.89 0.00 0.00 0.00 0.00 175.76 176.36 3gvp s ALA 257 N -3.73 3.13 -2.26 0.00 0.00 -1.24 -2.73 121.76 114.93 3gvp s ALA 257 Ca 0.15 0.23 0.24 0.00 0.00 0.00 0.00 51.96 52.58 3gvp s ALA 257 Cb 0.06 -3.02 0.29 0.00 0.00 0.00 0.00 23.12 20.44 3gvp s ALA 257 CO -0.03 0.10 1.28 0.00 0.00 0.00 0.00 175.76 177.11 3gvp s ASN 259 N -2.32 -0.19 0.41 0.00 3.84 -1.26 -5.00 114.94 110.41 3gvp s ASN 259 Ca 0.24 0.37 0.29 0.00 0.21 0.00 0.00 52.86 53.96 3gvp s ASN 259 Cb 0.19 0.36 1.17 0.00 -0.55 0.00 0.00 41.25 42.42 3gvp s ASN 259 CO 0.47 -0.07 1.85 0.16 -2.79 0.00 0.00 177.10 176.72 3gvp h ILE 260 N 4.96 0.00 0.00 -5.21 3.07 -1.91 -3.31 117.51 115.11 3gvp h ILE 260 Ca -0.27 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.76 3gvp h ILE 260 Cb 1.19 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3gvp h ILE 260 CO 0.40 0.00 -1.17 -1.22 -1.05 0.00 0.00 178.15 175.11 3gvp n TYR 261 N -2.67 0.00 0.60 0.16 4.01 -1.26 -0.25 117.16 117.75 3gvp n TYR 261 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3gvp n TYR 261 Cb 0.27 -0.15 0.24 0.00 -0.31 0.00 0.00 39.34 39.39 3gvp n TYR 261 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3gvp n SER 262 N -1.66 0.72 -4.74 7.72 3.41 -1.25 -4.61 113.62 113.21 3gvp n SER 262 Ca -0.01 0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 3gvp n SER 262 Cb 0.21 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3gvp n SER 262 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvp s THR 263 N -3.14 2.05 -0.46 6.66 2.01 -1.26 -4.65 115.64 116.85 3gvp s THR 263 Ca 0.08 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 3gvp s THR 263 Cb 0.13 -3.02 0.03 0.00 0.01 0.00 0.00 72.50 69.65 3gvp s THR 263 CO 0.69 0.00 0.69 -0.76 -0.69 0.00 0.00 174.62 174.55 3gvp s LEU 264 N 0.12 4.48 0.22 4.42 1.43 0.03 -4.14 118.68 125.25 3gvp s LEU 264 Ca 0.68 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3gvp s LEU 264 Cb -0.49 -2.75 0.21 0.00 0.03 0.00 0.00 46.19 43.20 3gvp s LEU 264 CO 0.42 -0.85 1.88 0.78 0.23 0.00 0.00 176.35 178.81 3gvp h ASN 265 N 8.94 0.89 -0.56 2.29 2.35 -1.92 -1.35 115.58 126.21 3gvp h ASN 265 Ca -0.26 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3gvp h ASN 265 Cb 1.09 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 3gvp h ASN 265 CO 0.93 0.63 0.27 1.05 -1.65 0.00 0.00 177.43 178.65 3gvp h GLU 266 N 1.05 0.85 -0.27 0.81 9.09 -1.91 -1.23 114.58 122.96 3gvp h GLU 266 Ca 0.31 -0.12 -0.10 0.00 0.05 0.00 0.00 59.36 59.50 3gvp h GLU 266 Cb -0.05 -0.16 -0.00 0.00 -1.65 0.00 0.00 28.75 26.89 3gvp h GLU 266 CO -0.09 0.67 -0.23 0.28 0.05 0.00 0.00 179.01 179.68 3gvp h VAL 267 N 0.84 1.31 -0.99 -1.06 2.07 -1.58 -1.52 116.25 115.33 3gvp h VAL 267 Ca 0.21 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.43 3gvp h VAL 267 Cb 0.12 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3gvp h VAL 267 CO -0.02 0.44 0.63 0.00 0.02 0.00 0.00 177.57 178.64 3gvp h ALA 268 N 0.70 1.48 -0.30 1.67 0.00 -1.04 -0.96 119.26 120.81 3gvp h ALA 268 Ca 0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3gvp h ALA 268 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gvp h ALA 268 CO 0.06 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 179.39 3gvp h ALA 269 N 1.50 0.43 -0.77 0.00 0.00 -1.03 -0.37 119.26 119.03 3gvp h ALA 269 Ca 0.45 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3gvp h ALA 269 Cb 0.32 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3gvp h ALA 269 CO -0.21 0.41 0.47 0.00 0.00 0.00 0.00 179.25 179.92 3gvp h ALA 270 N 0.72 1.04 0.24 0.00 0.00 -0.80 0.80 119.26 121.26 3gvp h ALA 270 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gvp h ALA 270 Cb 0.80 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gvp h ALA 270 CO 0.06 0.20 -0.12 -0.07 0.00 0.00 0.00 179.25 179.33 3gvp h LEU 271 N 0.87 -0.27 -1.18 0.00 3.38 -1.05 -1.72 115.31 115.34 3gvp h LEU 271 Ca 0.33 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.32 3gvp h LEU 271 Cb 0.13 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3gvp h LEU 271 CO -0.16 -0.03 0.60 0.00 0.09 0.00 0.00 178.44 178.94 3gvp h ALA 272 N 0.19 1.73 -0.14 1.53 0.00 -0.77 -1.23 119.26 120.58 3gvp h ALA 272 Ca -0.03 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3gvp h ALA 272 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gvp h ALA 272 CO 0.05 0.02 -0.51 1.49 0.00 0.00 0.00 179.25 180.30 3gvp h GLU 273 N 0.79 0.38 0.00 0.00 4.57 -0.68 -2.66 114.58 116.99 3gvp h GLU 273 Ca 0.48 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3gvp h GLU 273 Cb 0.67 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3gvp h GLU 273 CO -0.24 0.80 0.00 0.43 -1.18 0.00 0.00 179.01 178.82 3gvp n SER 274 N -3.96 0.00 0.00 1.04 7.64 -0.52 -4.77 113.62 113.05 3gvp n SER 274 Ca -0.02 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3gvp n SER 274 Cb 0.56 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3gvp n SER 274 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gvp n GLY 275 N 0.81 1.05 3.69 0.23 0.00 -0.90 -5.08 105.19 104.99 3gvp n GLY 275 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3gvp n GLY 275 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gvp s PHE 276 N -2.00 3.52 -0.74 1.61 0.08 -0.84 -4.97 117.98 114.64 3gvp s PHE 276 Ca 0.00 1.59 -0.26 0.00 0.12 0.00 0.00 56.93 58.38 3gvp s PHE 276 Cb 0.00 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3gvp s PHE 276 CO 0.00 -0.25 1.86 -2.14 -0.10 0.00 0.00 175.22 174.59 3gvp s PRO 277 N 1.88 2.64 -0.12 0.24 0.02 -1.26 -3.98 135.00 134.43 3gvp s PRO 277 Ca 0.49 0.19 -0.00 0.00 0.02 0.00 0.00 61.00 61.70 3gvp s PRO 277 Cb -0.19 -4.67 -0.02 0.00 0.02 0.00 0.00 34.50 29.64 3gvp s PRO 277 CO 0.20 -2.95 -0.11 0.54 -0.33 0.00 0.00 177.00 174.35 3gvp s VAL 278 N 9.24 3.30 -0.43 3.83 0.11 -1.26 -0.78 120.40 134.40 3gvp s VAL 278 Ca 0.67 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3gvp s VAL 278 Cb -0.10 -2.39 0.12 0.00 -1.53 0.00 0.00 36.38 32.48 3gvp s VAL 278 CO 0.11 0.53 0.16 -0.36 -3.33 0.00 0.00 175.10 172.22 3gvp s PHE 279 N 0.11 3.47 -0.29 1.54 0.08 0.16 -0.79 117.98 122.25 3gvp s PHE 279 Ca -0.05 -3.09 -0.20 0.00 0.12 0.00 0.00 56.93 53.71 3gvp s PHE 279 Cb -0.14 -2.88 0.14 0.00 -0.57 0.00 0.00 43.02 39.57 3gvp s PHE 279 CO 0.04 -0.84 1.03 0.00 -0.10 0.00 0.00 175.22 175.35 3gvp s ALA 280 N 0.28 -2.15 0.08 5.36 0.00 -0.28 -3.67 121.76 121.38 3gvp s ALA 280 Ca 0.14 2.03 -0.16 0.00 0.00 0.00 0.00 51.96 53.97 3gvp s ALA 280 Cb -0.23 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.32 3gvp s ALA 280 CO -0.04 -0.28 0.39 1.67 0.00 0.00 0.00 175.76 177.49 3gvp s TRP 281 N 0.80 -0.21 0.14 0.00 -2.14 -1.26 -4.32 118.94 111.94 3gvp s TRP 281 Ca -0.03 0.03 -0.31 0.00 2.66 0.00 0.00 56.10 58.45 3gvp s TRP 281 Cb -0.04 0.21 -0.08 0.00 -3.10 0.00 0.00 33.47 30.45 3gvp s TRP 281 CO -0.11 -0.61 1.41 0.21 -2.66 0.00 0.00 176.95 175.18 3gvp s LYS 282 N -3.07 4.31 0.00 3.25 2.20 -1.26 -3.64 119.74 121.53 3gvp s LYS 282 Ca -0.02 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 3gvp s LYS 282 Cb 0.01 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3gvp s LYS 282 CO -0.07 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 3gvp n GLY 283 N 3.31 0.89 3.76 5.54 0.00 0.65 -5.00 105.19 114.34 3gvp n GLY 283 Ca 0.11 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3gvp n GLY 283 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gvp s GLU 284 N -4.15 3.29 0.87 1.61 2.02 -0.97 -5.05 118.70 116.32 3gvp s GLU 284 Ca 0.00 1.82 -0.13 0.00 0.02 0.00 0.00 54.97 56.68 3gvp s GLU 284 Cb 0.00 -2.12 0.12 0.00 0.10 0.00 0.00 34.13 32.24 3gvp s GLU 284 CO 0.00 -0.95 1.19 -1.54 0.02 0.00 0.00 175.26 173.98 3gvp s SER 285 N -1.48 3.89 0.32 -0.19 1.04 -1.26 -4.86 113.70 111.16 3gvp s SER 285 Ca 0.72 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.92 3gvp s SER 285 Cb -0.30 -1.17 0.56 0.00 0.10 0.00 0.00 66.02 65.21 3gvp s SER 285 CO 0.34 -2.29 1.85 -0.33 0.98 0.00 0.00 173.24 173.79 3gvp h GLU 286 N -1.32 0.56 -0.41 4.02 4.39 -2.00 -1.60 114.58 118.22 3gvp h GLU 286 Ca -0.47 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 58.96 3gvp h GLU 286 Cb 1.31 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3gvp h GLU 286 CO 0.59 0.59 -0.31 -0.44 -1.16 0.00 0.00 179.01 178.28 3gvp h ASP 287 N 0.53 0.96 -0.37 1.42 3.32 -2.00 -2.96 116.42 117.31 3gvp h ASP 287 Ca 0.11 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.79 3gvp h ASP 287 Cb 0.37 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3gvp h ASP 287 CO 0.01 1.18 0.17 0.44 -1.72 0.00 0.00 179.24 179.33 3gvp h ASP 288 N 0.77 0.24 -0.12 6.45 3.32 -1.82 -1.71 116.42 123.54 3gvp h ASP 288 Ca 0.08 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3gvp h ASP 288 Cb 0.89 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.36 3gvp h ASP 288 CO 0.08 0.18 -0.38 0.15 -1.72 0.00 0.00 179.24 177.55 3gvp h PHE 289 N 0.35 -1.06 -0.00 4.55 3.57 -1.19 0.11 116.94 123.28 3gvp h PHE 289 Ca 0.16 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 3gvp h PHE 289 Cb 0.09 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3gvp h PHE 289 CO -0.11 -0.44 -0.52 -1.49 -2.23 0.00 0.00 178.31 173.51 3gvp h TRP 290 N -0.46 0.00 -0.40 0.41 4.06 -1.49 -2.24 115.95 115.84 3gvp h TRP 290 Ca 0.08 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.01 3gvp h TRP 290 Cb 0.60 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 3gvp h TRP 290 CO -0.45 0.53 0.17 2.35 -3.56 0.00 0.00 178.44 177.49 3gvp h TRP 291 N 0.00 0.60 -0.49 0.49 7.01 -0.56 -1.38 115.95 121.62 3gvp h TRP 291 Ca -0.01 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 3gvp h TRP 291 Cb 0.93 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.79 3gvp h TRP 291 CO 0.00 0.52 0.23 0.00 -2.79 0.00 0.00 178.44 176.40 3gvp h ILE 293 N 0.65 1.07 -0.59 0.00 2.04 -1.36 0.01 117.51 119.33 3gvp h ILE 293 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3gvp h ILE 293 Cb 0.13 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3gvp h ILE 293 CO -0.02 0.13 0.32 -0.78 0.00 0.00 0.00 178.15 177.79 3gvp h ASP 294 N 0.69 0.75 -0.15 1.72 3.58 -0.97 -1.55 116.42 120.50 3gvp h ASP 294 Ca 0.23 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 3gvp h ASP 294 Cb 0.02 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3gvp h ASP 294 CO -0.10 0.64 -0.10 0.03 -2.88 0.00 0.00 179.24 176.83 3gvp h ARG 295 N 0.80 0.49 -0.49 0.28 2.47 -0.85 0.36 114.38 117.45 3gvp h ARG 295 Ca 0.21 -0.13 -0.13 0.00 -1.26 0.00 0.00 59.98 58.67 3gvp h ARG 295 Cb 0.06 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3gvp h ARG 295 CO -0.03 0.59 -0.20 0.00 0.56 0.00 0.00 179.97 180.89 3gvp n VAL 297 N -4.12 1.68 -3.56 0.00 0.31 -0.62 -4.79 118.33 107.23 3gvp n VAL 297 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 3gvp n VAL 297 Cb 0.45 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 3gvp n VAL 297 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gvp s ASN 298 N -6.96 5.72 -0.12 4.52 2.47 0.13 -4.70 114.94 115.99 3gvp s ASN 298 Ca -0.26 -1.62 -0.08 0.00 0.42 0.00 0.00 52.86 51.31 3gvp s ASN 298 Cb 0.07 -2.02 0.04 0.00 -1.45 0.00 0.00 41.25 37.89 3gvp s ASN 298 CO 0.69 -0.61 0.30 0.54 -3.72 0.00 0.00 177.10 174.30 3gvp s VAL 299 N 1.43 -0.02 0.13 -5.21 0.11 -1.26 -4.57 120.40 111.01 3gvp s VAL 299 Ca 0.04 0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 58.85 3gvp s VAL 299 Cb -0.24 -0.44 -0.09 0.00 -1.53 0.00 0.00 36.38 34.08 3gvp s VAL 299 CO 0.02 0.03 1.55 -1.61 -3.33 0.00 0.00 175.10 171.76 3gvp s GLU 300 N 0.80 4.23 0.00 1.54 2.02 -1.26 -3.45 118.70 122.58 3gvp s GLU 300 Ca -0.05 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.24 3gvp s GLU 300 Cb -0.06 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.90 3gvp s GLU 300 CO -0.05 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.03 3gvp n GLY 301 N 3.76 0.78 3.23 -1.39 0.00 -1.26 -5.05 105.19 105.26 3gvp n GLY 301 Ca 0.14 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.84 3gvp n GLY 301 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gvp s TRP 302 N -2.00 -1.02 -0.13 1.61 -0.00 -1.22 -5.15 118.94 111.02 3gvp s TRP 302 Ca 0.00 1.23 -0.04 0.00 -0.00 0.00 0.00 56.10 57.29 3gvp s TRP 302 Cb 0.00 0.41 -0.03 0.00 -0.00 0.00 0.00 33.47 33.85 3gvp s TRP 302 CO 0.00 -0.55 0.01 -0.65 -0.00 0.00 0.00 176.95 175.76 3gvp s GLN 303 N 2.83 3.45 0.47 5.86 -1.52 -1.26 -4.48 119.66 125.02 3gvp s GLN 303 Ca 0.07 -0.42 -0.23 0.00 -1.95 0.00 0.00 55.36 52.83 3gvp s GLN 303 Cb -0.12 -2.94 -0.07 0.00 -0.22 0.00 0.00 33.01 29.67 3gvp s GLN 303 CO -0.16 0.45 1.18 -1.25 -0.25 0.00 0.00 175.29 175.26 3gvp s PRO 304 N -0.19 3.66 -0.21 2.91 0.04 -1.26 -4.83 135.00 135.11 3gvp s PRO 304 Ca 0.05 1.81 0.13 0.00 0.04 0.00 0.00 61.00 63.03 3gvp s PRO 304 Cb -0.12 -2.36 -0.22 0.00 0.04 0.00 0.00 34.50 31.83 3gvp s PRO 304 CO 0.02 -0.64 -0.02 0.09 0.04 0.00 0.00 177.00 176.49 3gvp n ASN 305 N -0.60 0.65 -3.93 6.66 3.02 0.14 -4.68 115.26 116.52 3gvp n ASN 305 Ca 0.08 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.46 3gvp n ASN 305 Cb 0.48 0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 40.10 3gvp n ASN 305 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3gvp s MET 306 N -2.49 0.22 -0.10 3.52 -1.94 -0.48 0.03 119.30 118.05 3gvp s MET 306 Ca -0.17 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 3gvp s MET 306 Cb 0.07 -0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3gvp s MET 306 CO 0.75 0.03 -0.13 0.42 -0.01 0.00 0.00 175.02 176.08 3gvp s ILE 307 N -0.40 3.11 -0.19 2.53 1.01 -0.66 -1.01 121.20 125.58 3gvp s ILE 307 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3gvp s ILE 307 Cb -0.03 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.19 3gvp s ILE 307 CO -0.00 0.55 -0.16 -0.22 0.00 0.00 0.00 174.94 175.11 3gvp s LEU 308 N -0.02 2.35 -0.01 2.97 2.96 -0.16 -0.44 118.68 126.33 3gvp s LEU 308 Ca -0.03 -0.81 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 3gvp s LEU 308 Cb -0.14 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 3gvp s LEU 308 CO 0.04 -0.07 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.30 3gvp s ASP 309 N 1.30 0.89 -0.66 3.68 -1.08 -0.51 -0.56 116.67 119.73 3gvp s ASP 309 Ca 0.01 -0.14 0.04 0.00 -0.52 0.00 0.00 52.55 51.95 3gvp s ASP 309 Cb -0.15 -0.11 0.16 0.00 -1.46 0.00 0.00 42.92 41.36 3gvp s ASP 309 CO -0.10 0.09 0.44 -0.62 0.52 0.00 0.00 175.17 175.50 3gvp s ASP 310 N -0.14 4.74 0.00 -0.34 2.15 -0.08 -1.63 116.67 121.37 3gvp s ASP 310 Ca 0.02 -3.61 0.00 0.00 0.43 0.00 0.00 52.55 49.40 3gvp s ASP 310 Cb -0.03 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 3gvp s ASP 310 CO -0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 3gvp n GLY 311 N 2.32 0.95 2.14 2.66 0.00 -1.26 -4.84 105.19 107.16 3gvp n GLY 311 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3gvp n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvp n GLY 312 N 0.00 1.36 0.27 -0.02 0.00 -1.26 -3.97 105.19 101.57 3gvp n GLY 312 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3gvp n GLY 312 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gvp h ASP 313 N 0.00 0.97 -0.33 1.61 3.32 -1.97 0.14 116.42 120.17 3gvp h ASP 313 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3gvp h ASP 313 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3gvp h ASP 313 CO 0.00 1.19 -0.22 0.25 -1.72 0.00 0.00 179.24 178.74 3gvp h LEU 314 N 0.78 0.77 0.01 1.55 6.46 -1.94 -0.94 115.31 121.99 3gvp h LEU 314 Ca 0.08 -0.43 -0.00 0.00 -0.12 0.00 0.00 57.88 57.41 3gvp h LEU 314 Cb 0.88 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 3gvp h LEU 314 CO 0.08 1.04 -0.00 0.74 -0.62 0.00 0.00 178.44 179.67 3gvp h THR 315 N 0.50 1.02 -0.53 1.05 2.02 -1.94 -2.19 112.91 112.84 3gvp h THR 315 Ca 0.07 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3gvp h THR 315 Cb 0.78 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 3gvp h THR 315 CO 0.06 0.02 0.18 -0.74 0.37 0.00 0.00 175.52 175.41 3gvp h HIS 316 N -0.04 0.31 -0.66 3.16 -0.00 -0.69 -0.77 115.15 116.45 3gvp h HIS 316 Ca -0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3gvp h HIS 316 Cb 0.04 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.34 3gvp h HIS 316 CO -0.07 0.09 0.40 2.35 -0.00 0.00 0.00 177.93 180.69 3gvp h TRP 317 N 0.35 0.74 -0.23 5.26 2.91 -0.86 -0.42 115.95 123.69 3gvp h TRP 317 Ca 0.26 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.17 3gvp h TRP 317 Cb 0.30 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 3gvp h TRP 317 CO -0.17 0.39 -0.36 0.82 -1.03 0.00 0.00 178.44 178.09 3gvp h ILE 318 N 0.76 1.32 -0.00 2.65 2.04 -1.14 -0.69 117.51 122.44 3gvp h ILE 318 Ca 0.28 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.61 3gvp h ILE 318 Cb 0.09 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3gvp h ILE 318 CO -0.14 0.49 -0.24 0.22 0.00 0.00 0.00 178.15 178.49 3gvp h TYR 319 N 0.37 -0.63 -0.12 1.37 3.20 -0.71 -1.13 116.97 119.31 3gvp h TYR 319 Ca 0.02 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3gvp h TYR 319 Cb 0.95 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3gvp h TYR 319 CO 0.08 -0.33 -0.23 0.87 -1.64 0.00 0.00 178.16 176.92 3gvp h LYS 320 N -0.37 0.36 0.00 1.82 1.79 -1.10 -3.24 116.57 115.84 3gvp h LYS 320 Ca 0.06 -0.23 -0.23 0.00 -2.18 0.00 0.00 60.65 58.07 3gvp h LYS 320 Cb 0.45 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 3gvp h LYS 320 CO -0.22 0.83 -1.74 1.63 -1.08 0.00 0.00 179.45 178.88 3gvp n LYS 321 N -4.48 0.64 -3.12 3.15 4.76 -0.27 -4.51 118.16 114.32 3gvp n LYS 321 Ca -0.07 0.16 -0.21 0.00 -2.87 0.00 0.00 58.31 55.33 3gvp n LYS 321 Cb 0.43 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3gvp n LYS 321 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3gvp n TYR 322 N -2.85 1.27 0.30 2.13 4.01 -0.44 -4.96 117.16 116.62 3gvp n TYR 322 Ca -0.16 -3.87 0.18 0.00 -0.16 0.00 0.00 57.90 53.89 3gvp n TYR 322 Cb 0.94 -0.44 0.95 0.00 -0.31 0.00 0.00 39.34 40.48 3gvp n TYR 322 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gvp h PRO 323 N 3.03 0.00 0.07 -0.72 0.13 -1.57 -0.89 132.00 132.05 3gvp h PRO 323 Ca 0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.99 3gvp h PRO 323 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3gvp h PRO 323 CO 0.59 0.03 -1.09 -0.91 -0.23 0.00 0.00 178.00 176.40 3gvp h ASN 324 N 0.00 0.44 -0.47 1.44 2.35 -1.90 -2.91 115.58 114.53 3gvp h ASN 324 Ca -0.00 -0.41 -0.04 0.00 -0.55 0.00 0.00 56.30 55.30 3gvp h ASN 324 Cb 0.18 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3gvp h ASN 324 CO 0.00 1.26 0.14 -0.03 -1.65 0.00 0.00 177.43 177.16 3gvp h MET 325 N 0.13 0.74 -0.54 0.81 4.05 -1.56 -3.20 114.93 115.36 3gvp h MET 325 Ca -0.10 -0.16 0.09 0.00 -0.28 0.00 0.00 59.70 59.24 3gvp h MET 325 Cb 1.77 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 32.39 3gvp h MET 325 CO 0.18 0.71 0.15 0.35 0.23 0.00 0.00 176.91 178.53 3gvp h PHE 326 N 0.63 0.25 -0.25 1.39 3.57 -1.28 -1.71 116.94 119.55 3gvp h PHE 326 Ca 0.15 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3gvp h PHE 326 Cb 0.28 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3gvp h PHE 326 CO 0.02 0.03 0.19 0.87 -2.23 0.00 0.00 178.31 177.19 3gvp h LYS 327 N 0.30 0.00 -0.01 1.11 1.57 -1.51 -1.09 116.57 116.95 3gvp h LYS 327 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gvp h LYS 327 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3gvp h LYS 327 CO -0.32 0.00 -0.08 1.17 -0.57 0.00 0.00 179.45 179.65 3gvp n LYS 328 N -4.29 1.32 -2.20 3.15 0.00 -0.65 -4.89 118.16 110.60 3gvp n LYS 328 Ca 0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 58.31 57.19 3gvp n LYS 328 Cb 0.34 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 3gvp n LYS 328 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3gvp s ILE 329 N -2.18 3.60 0.30 3.15 -1.09 -0.41 -4.87 121.20 119.70 3gvp s ILE 329 Ca 0.34 1.04 0.09 0.00 -2.23 0.00 0.00 60.65 59.88 3gvp s ILE 329 Cb 0.20 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3gvp s ILE 329 CO 0.40 0.02 1.70 0.11 -1.23 0.00 0.00 174.94 175.94 3gvp h LYS 330 N 7.61 0.13 -1.56 2.79 1.57 -0.74 -3.44 116.57 122.93 3gvp h LYS 330 Ca -0.39 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.40 3gvp h LYS 330 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.23 3gvp h LYS 330 CO 0.89 0.57 0.45 0.20 -0.57 0.00 0.00 179.45 181.00 3gvp s GLY 331 N -4.30 -0.09 -0.17 3.86 0.00 -1.21 -4.44 107.32 100.95 3gvp s GLY 331 Ca -0.03 2.83 -0.05 0.00 0.00 0.00 0.00 44.72 47.47 3gvp s GLY 331 CO 0.76 2.03 -0.00 -0.42 0.00 0.00 0.00 173.10 175.47 3gvp s ILE 332 N 0.51 4.13 -0.22 0.90 1.01 -0.46 -1.65 121.20 125.42 3gvp s ILE 332 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3gvp s ILE 332 Cb -0.05 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 3gvp s ILE 332 CO -0.09 0.47 0.00 -0.69 0.00 0.00 0.00 174.94 174.64 3gvp s VAL 333 N 0.48 3.85 -0.04 2.92 1.01 0.42 0.18 120.40 129.22 3gvp s VAL 333 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3gvp s VAL 333 Cb -0.14 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3gvp s VAL 333 CO 0.02 0.40 -0.23 -0.70 0.00 0.00 0.00 175.10 174.60 3gvp s GLU 334 N 1.33 2.17 -0.07 2.72 2.56 -0.92 -1.42 118.70 125.06 3gvp s GLU 334 Ca 0.04 -0.81 0.18 0.00 0.00 0.00 0.00 54.97 54.38 3gvp s GLU 334 Cb -0.15 -1.92 -0.27 0.00 2.00 0.00 0.00 34.13 33.80 3gvp s GLU 334 CO 0.01 0.38 0.30 -1.91 -0.56 0.00 0.00 175.26 173.48 3gvp n GLU 335 N 2.86 0.75 -4.12 4.30 4.07 -0.65 -2.16 120.64 125.70 3gvp n GLU 335 Ca -0.17 -0.12 -0.30 0.00 -0.06 0.00 0.00 57.16 56.51 3gvp n GLU 335 Cb 0.52 -1.45 -0.08 0.00 -0.06 0.00 0.00 31.44 30.37 3gvp n GLU 335 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3gvp s SER 336 N -4.52 5.09 0.11 4.31 1.04 -1.26 -3.99 113.70 114.48 3gvp s SER 336 Ca -0.08 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 55.90 3gvp s SER 336 Cb 0.10 -1.23 -0.10 0.00 0.10 0.00 0.00 66.02 64.89 3gvp s SER 336 CO 0.77 0.16 1.63 0.58 0.98 0.00 0.00 173.24 177.36 3gvp h VAL 337 N 2.74 0.36 -0.30 5.02 2.07 -1.96 0.18 116.25 124.36 3gvp h VAL 337 Ca -0.47 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3gvp h VAL 337 Cb 1.17 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3gvp h VAL 337 CO 0.61 0.00 -0.25 0.71 0.02 0.00 0.00 177.57 178.66 3gvp h THR 338 N -0.56 1.27 -0.63 2.57 1.35 -1.96 -1.62 112.91 113.33 3gvp h THR 338 Ca 0.02 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3gvp h THR 338 Cb 0.56 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3gvp h THR 338 CO -0.14 0.42 0.36 1.23 -0.25 0.00 0.00 175.52 177.14 3gvp h GLY 339 N 1.01 0.93 0.93 5.82 0.00 -1.62 -1.45 103.07 108.68 3gvp h GLY 339 Ca 0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3gvp h GLY 339 CO 0.05 0.39 -0.03 -2.08 0.00 0.00 0.00 176.54 174.88 3gvp h VAL 340 N 0.85 1.27 -0.59 4.60 2.07 -0.72 -0.99 116.25 122.73 3gvp h VAL 340 Ca 0.22 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3gvp h VAL 340 Cb 0.01 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3gvp h VAL 340 CO -0.04 0.34 0.20 -0.74 0.02 0.00 0.00 177.57 177.35 3gvp h HIS 341 N 0.45 0.34 -0.97 1.57 6.17 -1.21 -0.66 115.15 120.85 3gvp h HIS 341 Ca 0.10 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.21 3gvp h HIS 341 Cb 0.50 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 30.32 3gvp h HIS 341 CO 0.04 0.07 0.62 0.00 0.71 0.00 0.00 177.93 179.37 3gvp h ARG 342 N 0.37 1.29 -0.54 5.26 3.08 -1.00 -2.29 114.38 120.55 3gvp h ARG 342 Ca 0.30 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3gvp h ARG 342 Cb 0.38 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3gvp h ARG 342 CO -0.32 0.88 0.11 -0.07 -1.07 0.00 0.00 179.97 179.50 3gvp h LEU 343 N 1.32 0.78 0.00 3.04 3.38 -0.11 -2.69 115.31 121.03 3gvp h LEU 343 Ca 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gvp h LEU 343 Cb -0.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3gvp h LEU 343 CO -0.07 0.78 0.00 -1.22 0.09 0.00 0.00 178.44 178.01 3gvp n TYR 344 N -4.27 0.00 -3.76 1.13 4.01 -0.36 -3.26 117.16 110.66 3gvp n TYR 344 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 3gvp n TYR 344 Cb 0.24 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 3gvp n TYR 344 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3gvp s GLN 345 N -2.29 2.27 0.00 -0.72 -0.21 -1.02 -4.81 119.66 112.89 3gvp s GLN 345 Ca 0.09 -2.21 0.00 0.00 0.02 0.00 0.00 55.36 53.26 3gvp s GLN 345 Cb 0.05 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.42 3gvp s GLN 345 CO 0.10 -1.12 0.00 -0.11 -2.12 0.00 0.00 175.29 172.04 3gvp n LEU 346 N 3.97 -1.36 0.00 2.90 7.94 -1.20 -4.78 117.00 124.47 3gvp n LEU 346 Ca 0.03 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 3gvp n LEU 346 Cb 0.39 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3gvp n LEU 346 CO 0.33 -1.22 0.00 0.00 -1.11 0.00 0.00 177.39 175.39 3gvp n ALA 349 N 1.82 0.00 -1.05 1.96 0.00 -1.26 -4.84 120.51 117.14 3gvp n ALA 349 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3gvp n ALA 349 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3gvp n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvp n GLY 350 N -2.00 0.41 0.10 0.00 0.00 -1.26 -4.89 105.19 97.55 3gvp n GLY 350 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3gvp n GLY 350 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gvp n LYS 351 N -1.31 0.61 -2.61 1.61 -0.00 -1.26 -4.77 118.16 110.43 3gvp n LYS 351 Ca -0.02 0.13 -0.41 0.00 -0.00 0.00 0.00 58.31 58.01 3gvp n LYS 351 Cb 0.26 -1.80 -0.03 0.00 -0.00 0.00 0.00 35.03 33.46 3gvp n LYS 351 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3gvp s LEU 352 N -5.44 3.68 -0.04 -5.58 2.96 -1.26 -4.82 118.68 108.18 3gvp s LEU 352 Ca -0.02 -1.45 0.14 0.00 -0.22 0.00 0.00 54.13 52.57 3gvp s LEU 352 Cb 0.09 -2.55 0.46 0.00 0.50 0.00 0.00 46.19 44.70 3gvp s LEU 352 CO 0.80 -1.47 1.35 0.00 -1.32 0.00 0.00 176.35 175.71 3gvp s VAL 354 N -1.55 0.51 0.14 0.00 -7.23 -1.26 -4.86 120.40 106.15 3gvp s VAL 354 Ca 0.34 -1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 3gvp s VAL 354 Cb 0.20 -0.65 -0.07 0.00 0.56 0.00 0.00 36.38 36.42 3gvp s VAL 354 CO 0.19 -0.43 1.18 -2.16 -0.31 0.00 0.00 175.10 173.57 3gvp s PRO 355 N -1.72 4.49 0.06 4.82 0.04 -1.20 -4.19 135.00 137.30 3gvp s PRO 355 Ca -0.09 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.81 3gvp s PRO 355 Cb -0.09 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 3gvp s PRO 355 CO -0.00 -0.11 -0.09 0.00 0.04 0.00 0.00 177.00 176.84 3gvp s ALA 356 N 0.28 2.95 -0.22 8.56 0.00 -0.55 -1.36 121.76 131.42 3gvp s ALA 356 Ca 0.54 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3gvp s ALA 356 Cb -0.31 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3gvp s ALA 356 CO 0.34 0.63 -0.04 1.41 0.00 0.00 0.00 175.76 178.09 3gvp s MET 357 N -1.83 3.35 -0.56 0.00 1.75 0.13 -0.45 119.30 121.68 3gvp s MET 357 Ca 0.19 -0.64 -0.25 0.00 -1.25 0.00 0.00 55.69 53.74 3gvp s MET 357 Cb -0.11 -3.01 0.04 0.00 2.84 0.00 0.00 34.83 34.59 3gvp s MET 357 CO 0.11 -0.21 0.99 1.21 -0.65 0.00 0.00 175.02 176.47 3gvp s ASN 358 N 1.47 6.35 0.00 1.11 2.47 0.19 -2.17 114.94 124.36 3gvp s ASN 358 Ca 0.06 -0.30 0.22 0.00 0.42 0.00 0.00 52.86 53.26 3gvp s ASN 358 Cb -0.14 -2.46 -0.11 0.00 -1.45 0.00 0.00 41.25 37.09 3gvp s ASN 358 CO -0.03 -1.29 0.99 1.33 -3.72 0.00 0.00 177.10 174.38 3gvp n VAL 359 N 6.27 0.00 -0.34 -5.21 0.24 -0.92 -4.16 118.33 114.21 3gvp n VAL 359 Ca 0.03 -0.08 0.04 0.00 -2.04 0.00 0.00 64.34 62.28 3gvp n VAL 359 Cb 0.48 1.04 0.19 0.00 -1.47 0.00 0.00 33.84 34.08 3gvp n VAL 359 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3gvp h ASN 360 N 0.79 0.87 -0.52 -1.34 -1.24 -1.68 -2.75 115.58 109.71 3gvp h ASN 360 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3gvp h ASN 360 Cb 0.58 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3gvp h ASN 360 CO 0.00 0.51 0.00 0.47 -1.29 0.00 0.00 177.43 177.12 3gvp n ASP 361 N -4.63 4.31 -4.70 1.15 8.00 -1.26 -4.56 116.55 114.87 3gvp n ASP 361 Ca 0.16 -2.50 -0.38 0.00 0.71 0.00 0.00 54.79 52.78 3gvp n ASP 361 Cb 0.27 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.85 3gvp n ASP 361 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gvp n SER 362 N 0.78 1.92 -0.03 -2.24 7.64 -1.04 -4.87 113.62 115.78 3gvp n SER 362 Ca 0.22 0.90 -0.13 0.00 1.01 0.00 0.00 58.87 60.87 3gvp n SER 362 Cb 0.85 -1.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.46 3gvp n SER 362 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gvp h VAL 363 N 0.97 1.33 -0.14 0.44 2.07 -1.92 -2.06 116.25 116.95 3gvp h VAL 363 Ca -0.50 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 3gvp h VAL 363 Cb 1.33 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3gvp h VAL 363 CO 0.54 0.30 0.05 0.74 0.02 0.00 0.00 177.57 179.23 3gvp h THR 364 N -0.23 1.16 -0.47 2.57 2.02 -1.91 -3.07 112.91 112.98 3gvp h THR 364 Ca 0.02 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.81 3gvp h THR 364 Cb 0.50 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 68.04 3gvp h THR 364 CO 0.01 0.15 -0.11 0.11 0.37 0.00 0.00 175.52 176.05 3gvp h LYS 365 N 0.07 0.00 -0.72 6.66 1.57 -1.90 -2.99 116.57 119.26 3gvp h LYS 365 Ca 0.05 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3gvp h LYS 365 Cb 0.18 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3gvp h LYS 365 CO -0.00 0.00 0.44 1.96 -0.57 0.00 0.00 179.45 181.28 3gvp h GLN 366 N 0.00 0.80 -0.77 3.15 1.08 -1.28 0.22 115.11 118.32 3gvp h GLN 366 Ca 0.23 -0.05 0.16 0.00 -1.45 0.00 0.00 58.65 57.54 3gvp h GLN 366 Cb 0.34 -0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 27.49 3gvp h GLN 366 CO -0.48 0.53 0.28 0.87 -0.95 0.00 0.00 178.83 179.08 3gvp h LYS 367 N 0.83 0.38 0.08 1.46 1.79 -1.48 -0.13 116.57 119.50 3gvp h LYS 367 Ca 0.30 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.60 3gvp h LYS 367 Cb 0.10 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3gvp h LYS 367 CO -0.14 0.25 -0.74 0.74 -1.08 0.00 0.00 179.45 178.47 3gvp h PHE 368 N 0.39 0.30 -0.74 -1.35 0.04 -1.33 -2.26 116.94 111.98 3gvp h PHE 368 Ca 0.43 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 3gvp h PHE 368 Cb 0.71 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 3gvp h PHE 368 CO -0.19 1.29 0.38 -0.44 -0.60 0.00 0.00 178.31 178.75 3gvp h ASP 369 N -0.62 0.94 0.00 2.17 3.32 -0.45 -1.02 116.42 120.76 3gvp h ASP 369 Ca -0.16 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3gvp h ASP 369 Cb 1.43 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3gvp h ASP 369 CO 0.05 0.78 0.00 0.59 -1.72 0.00 0.00 179.24 178.94 3gvp n ASN 370 N -4.34 0.00 0.34 6.45 3.02 -0.07 -4.53 115.26 116.13 3gvp n ASN 370 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.47 3gvp n ASN 370 Cb 0.12 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 3gvp n ASN 370 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3gvp h LEU 371 N 0.00 -0.76 -0.70 3.41 5.85 -1.69 -2.83 115.31 118.58 3gvp h LEU 371 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3gvp h LEU 371 Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3gvp h LEU 371 CO 0.00 -0.40 0.00 1.88 -0.34 0.00 0.00 178.44 179.59 3gvp h TYR 372 N -1.18 1.09 -0.27 1.25 0.05 -1.49 -1.72 116.97 114.71 3gvp h TYR 372 Ca -0.09 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.45 3gvp h TYR 372 Cb 0.72 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3gvp h TYR 372 CO 0.00 0.97 -0.08 0.00 -1.05 0.00 0.00 178.16 178.00 3gvp h ARG 375 N 0.87 0.31 0.05 0.00 2.43 -1.37 -1.34 114.38 115.33 3gvp h ARG 375 Ca 0.13 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 3gvp h ARG 375 Cb 0.73 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3gvp h ARG 375 CO 0.06 0.20 -0.65 0.93 -1.51 0.00 0.00 179.97 179.00 3gvp h GLU 376 N 0.32 0.35 -0.56 0.20 5.08 -1.50 -3.38 114.58 115.08 3gvp h GLU 376 Ca 0.40 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3gvp h GLU 376 Cb 0.65 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3gvp h GLU 376 CO -0.46 1.14 0.27 0.77 -1.00 0.00 0.00 179.01 179.73 3gvp h SER 377 N -0.23 0.36 -0.77 1.42 0.02 -0.70 -2.14 113.55 111.52 3gvp h SER 377 Ca -0.09 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3gvp h SER 377 Cb 1.41 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 3gvp h SER 377 CO 0.12 0.24 0.49 -0.29 -1.14 0.00 0.00 176.83 176.26 3gvp h ILE 378 N 0.51 1.14 -0.16 3.27 6.09 -1.43 0.17 117.51 127.11 3gvp h ILE 378 Ca 0.26 -0.34 -0.14 0.00 -1.37 0.00 0.00 64.86 63.28 3gvp h ILE 378 Cb 0.21 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.58 3gvp h ILE 378 CO -0.20 0.18 -0.43 -0.07 -3.07 0.00 0.00 178.15 174.56 3gvp h LEU 379 N 0.98 0.65 -0.21 2.19 3.38 -1.66 -2.23 115.31 118.41 3gvp h LEU 379 Ca 0.30 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3gvp h LEU 379 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3gvp h LEU 379 CO -0.09 1.12 0.13 -0.78 0.09 0.00 0.00 178.44 178.91 3gvp h ASP 380 N 0.21 0.25 -0.46 -0.43 3.58 -1.22 -0.11 116.42 118.24 3gvp h ASP 380 Ca -0.01 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.32 3gvp h ASP 380 Cb 1.05 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 3gvp h ASP 380 CO 0.09 0.22 -0.01 1.23 -2.88 0.00 0.00 179.24 177.89 3gvp h GLY 381 N 0.27 0.96 0.97 -0.78 0.00 -0.66 0.05 103.07 103.87 3gvp h GLY 381 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 3gvp h GLY 381 CO -0.01 0.61 -0.27 1.41 0.00 0.00 0.00 176.54 178.28 3gvp h LEU 382 N 0.82 0.74 -0.52 3.11 3.38 -1.30 -2.17 115.31 119.36 3gvp h LEU 382 Ca 0.15 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3gvp h LEU 382 Cb 0.50 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3gvp h LEU 382 CO 0.02 1.05 0.25 0.11 0.09 0.00 0.00 178.44 179.96 3gvp h LYS 383 N 0.45 0.47 -0.43 1.13 1.79 -0.84 -1.61 116.57 117.52 3gvp h LYS 383 Ca 0.05 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3gvp h LYS 383 Cb 0.83 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 3gvp h LYS 383 CO 0.07 0.31 0.26 -0.09 -1.08 0.00 0.00 179.45 178.92 3gvp h ARG 384 N 0.48 0.52 0.00 3.15 9.65 -0.88 -1.21 114.38 126.09 3gvp h ARG 384 Ca 0.24 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.90 3gvp h ARG 384 Cb 0.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3gvp h ARG 384 CO -0.18 0.34 -1.22 1.79 2.80 0.00 0.00 179.97 183.50 3gvp h THR 385 N 0.53 0.79 0.00 0.20 1.35 -1.36 -3.41 112.91 111.01 3gvp h THR 385 Ca 0.17 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3gvp h THR 385 Cb -0.01 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3gvp h THR 385 CO -0.07 0.45 0.00 0.35 -0.25 0.00 0.00 175.52 176.00 3gvp n THR 386 N -3.05 0.00 -2.18 6.82 -2.24 -0.61 -4.95 114.28 108.07 3gvp n THR 386 Ca -0.07 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 3gvp n THR 386 Cb 0.87 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 70.12 3gvp n THR 386 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gvp n ASP 387 N -0.43 -3.83 -4.78 3.42 8.00 -0.46 -4.93 116.55 113.54 3gvp n ASP 387 Ca 0.00 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 3gvp n ASP 387 Cb 0.01 -3.32 0.08 0.00 -0.02 0.00 0.00 41.12 37.87 3gvp n ASP 387 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvp s MET 388 N -4.56 2.40 0.10 -1.24 0.23 -1.26 -5.03 119.30 109.93 3gvp s MET 388 Ca 0.00 1.02 -0.02 0.00 -1.03 0.00 0.00 55.69 55.66 3gvp s MET 388 Cb 0.00 -1.92 -0.05 0.00 -1.53 0.00 0.00 34.83 31.33 3gvp s MET 388 CO 0.00 -1.50 0.29 0.00 -2.03 0.00 0.00 175.02 171.78 3gvp s MET 389 N -4.98 3.52 0.03 3.16 0.23 -1.26 -4.86 119.30 115.14 3gvp s MET 389 Ca 0.60 -0.29 0.16 0.00 -1.03 0.00 0.00 55.69 55.13 3gvp s MET 389 Cb -0.16 -2.95 -0.16 0.00 -1.53 0.00 0.00 34.83 30.03 3gvp s MET 389 CO 0.56 0.54 0.75 1.19 -2.03 0.00 0.00 175.02 176.03 3gvp n PHE 390 N 0.14 0.93 -1.69 3.16 3.72 -1.26 -4.80 117.46 117.65 3gvp n PHE 390 Ca -0.04 0.31 -0.44 0.00 -0.05 0.00 0.00 57.45 57.24 3gvp n PHE 390 Cb 0.51 -1.09 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 3gvp n PHE 390 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gvp n GLY 391 N 1.44 1.49 3.16 1.37 0.00 -1.22 -2.07 105.19 109.36 3gvp n GLY 391 Ca -0.12 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3gvp n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvp n GLY 392 N 3.98 0.89 3.73 -0.02 0.00 0.26 -4.88 105.19 109.15 3gvp n GLY 392 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3gvp n GLY 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvp s LYS 393 N -0.15 4.34 -0.26 1.61 -0.14 -0.88 -4.73 119.74 119.53 3gvp s LYS 393 Ca 0.00 2.13 -0.19 0.00 -1.36 0.00 0.00 55.97 56.55 3gvp s LYS 393 Cb 0.00 -3.18 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 3gvp s LYS 393 CO 0.00 -0.33 0.55 -0.65 -0.76 0.00 0.00 175.35 174.16 3gvp s GLN 394 N 0.06 4.09 -0.06 1.68 -0.21 -1.26 -0.37 119.66 123.59 3gvp s GLN 394 Ca 0.59 0.40 0.05 0.00 0.02 0.00 0.00 55.36 56.42 3gvp s GLN 394 Cb -0.38 -3.65 -0.00 0.00 1.00 0.00 0.00 33.01 29.98 3gvp s GLN 394 CO 0.38 -0.37 -0.20 0.08 -2.12 0.00 0.00 175.29 173.06 3gvp s VAL 395 N 2.36 1.66 -0.18 1.09 1.01 0.82 -0.40 120.40 126.75 3gvp s VAL 395 Ca 0.23 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3gvp s VAL 395 Cb -0.16 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3gvp s VAL 395 CO 0.09 0.47 -0.03 0.54 0.00 0.00 0.00 175.10 176.17 3gvp s VAL 396 N 0.07 3.76 -0.21 2.92 0.11 -0.54 -0.16 120.40 126.35 3gvp s VAL 396 Ca -0.06 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 3gvp s VAL 396 Cb -0.13 -2.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 3gvp s VAL 396 CO 0.04 0.46 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.57 3gvp s VAL 397 N 0.74 3.76 -0.38 2.04 1.01 0.22 -0.90 120.40 126.88 3gvp s VAL 397 Ca -0.01 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3gvp s VAL 397 Cb -0.14 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3gvp s VAL 397 CO 0.02 0.41 0.51 0.00 0.00 0.00 0.00 175.10 176.05 3gvp n GLY 399 N 4.92 2.27 2.62 0.00 0.00 0.41 -0.56 105.19 114.85 3gvp n GLY 399 Ca -0.05 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 3gvp n GLY 399 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gvp n TYR 400 N 1.98 1.70 -0.70 1.61 9.36 -1.26 -4.23 117.16 125.62 3gvp n TYR 400 Ca 0.00 -2.55 0.00 0.00 3.32 0.00 0.00 57.90 58.67 3gvp n TYR 400 Cb 0.00 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 3gvp n TYR 400 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gvp n GLY 401 N -0.38 -0.51 0.29 2.98 0.00 -1.26 -4.64 105.19 101.67 3gvp n GLY 401 Ca 0.17 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 3gvp n GLY 401 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gvp h GLU 402 N 0.00 0.80 0.28 1.61 4.39 -1.96 0.10 114.58 119.81 3gvp h GLU 402 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3gvp h GLU 402 Cb 0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3gvp h GLU 402 CO 0.00 0.53 -0.13 0.28 -1.16 0.00 0.00 179.01 178.53 3gvp h VAL 403 N 0.83 0.76 -0.40 3.13 2.07 -1.91 -0.65 116.25 120.07 3gvp h VAL 403 Ca 0.33 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.63 3gvp h VAL 403 Cb 0.15 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3gvp h VAL 403 CO -0.17 0.05 0.20 1.23 0.02 0.00 0.00 177.57 178.91 3gvp h GLY 404 N -0.51 0.55 -0.05 2.17 0.00 -1.68 -0.59 103.07 102.97 3gvp h GLY 404 Ca -0.04 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.27 3gvp h GLY 404 CO 0.06 0.10 -0.03 0.50 0.00 0.00 0.00 176.54 177.17 3gvp h LYS 405 N 0.41 0.08 -0.67 4.80 1.57 -0.73 0.12 116.57 122.15 3gvp h LYS 405 Ca 0.17 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3gvp h LYS 405 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3gvp h LYS 405 CO -0.12 0.06 0.25 0.78 -0.57 0.00 0.00 179.45 179.85 3gvp h GLY 406 N 0.09 1.08 0.98 3.86 0.00 -0.55 -1.93 103.07 106.59 3gvp h GLY 406 Ca 0.30 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3gvp h GLY 406 CO -0.53 0.56 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 3gvp h ALA 409 N 1.23 0.60 -0.22 0.00 0.00 -1.33 0.13 119.26 119.68 3gvp h ALA 409 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gvp h ALA 409 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gvp h ALA 409 CO -0.05 0.54 0.10 0.00 0.00 0.00 0.00 179.25 179.84 3gvp h ALA 410 N 0.84 0.28 -0.22 0.00 0.00 -1.35 -0.95 119.26 117.87 3gvp h ALA 410 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3gvp h ALA 410 Cb 0.74 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gvp h ALA 410 CO 0.06 -0.15 -0.22 -0.07 0.00 0.00 0.00 179.25 178.87 3gvp h LEU 411 N 0.21 0.57 -0.44 0.00 3.38 -1.29 -2.61 115.31 115.13 3gvp h LEU 411 Ca 0.07 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.65 3gvp h LEU 411 Cb 0.14 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3gvp h LEU 411 CO -0.01 0.93 -0.03 0.50 0.09 0.00 0.00 178.44 179.93 3gvp h LYS 412 N 0.21 0.08 0.00 1.13 3.64 -0.96 -1.69 116.57 118.99 3gvp h LYS 412 Ca 0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gvp h LYS 412 Cb 0.77 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3gvp h LYS 412 CO 0.05 0.05 -0.01 0.00 -2.27 0.00 0.00 179.45 177.28 3gvp h ALA 413 N 1.40 1.88 -0.36 5.00 0.00 -1.02 -1.27 119.26 124.88 3gvp h ALA 413 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gvp h ALA 413 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3gvp h ALA 413 CO -0.39 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.54 3gvp n MET 414 N -4.37 1.90 -0.47 0.00 2.81 -0.71 -4.93 117.12 111.35 3gvp n MET 414 Ca -0.03 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.53 3gvp n MET 414 Cb 0.10 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3gvp n MET 414 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gvp n GLY 415 N 1.05 0.76 3.84 3.03 0.00 -0.48 -3.44 105.19 109.95 3gvp n GLY 415 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3gvp n GLY 415 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gvp s SER 416 N -2.06 6.67 -0.31 1.61 0.01 -0.77 -0.57 113.70 118.27 3gvp s SER 416 Ca 0.00 1.60 -0.14 0.00 1.31 0.00 0.00 55.95 58.72 3gvp s SER 416 Cb 0.00 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 3gvp s SER 416 CO 0.00 -0.56 0.33 -0.63 0.41 0.00 0.00 173.24 172.79 3gvp s ILE 417 N -2.52 5.20 -0.17 1.44 1.09 0.50 -4.30 121.20 122.43 3gvp s ILE 417 Ca 0.60 0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 60.33 3gvp s ILE 417 Cb -0.10 -3.73 -0.00 0.00 -1.06 0.00 0.00 42.46 37.57 3gvp s ILE 417 CO 0.28 0.04 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.35 3gvp s VAL 418 N 1.97 2.93 0.02 2.92 1.01 -1.26 -0.13 120.40 127.86 3gvp s VAL 418 Ca 0.11 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gvp s VAL 418 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3gvp s VAL 418 CO 0.11 0.49 0.07 -0.31 0.00 0.00 0.00 175.10 175.46 3gvp s TYR 419 N 0.98 3.24 -0.00 5.22 2.02 0.77 -4.09 117.35 125.50 3gvp s TYR 419 Ca -0.02 0.16 0.05 0.00 -0.37 0.00 0.00 57.07 56.90 3gvp s TYR 419 Cb -0.15 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3gvp s TYR 419 CO -0.01 0.53 -0.16 0.08 -1.57 0.00 0.00 175.55 174.42 3gvp s VAL 420 N -1.23 1.28 0.04 0.71 1.01 -0.44 -0.61 120.40 121.15 3gvp s VAL 420 Ca 0.24 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3gvp s VAL 420 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3gvp s VAL 420 CO 0.16 0.30 -0.17 0.42 0.00 0.00 0.00 175.10 175.80 3gvp s THR 421 N -0.47 2.83 -0.07 3.92 -4.23 -0.73 -0.47 115.64 116.42 3gvp s THR 421 Ca 0.06 -1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 3gvp s THR 421 Cb -0.07 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.62 3gvp s THR 421 CO -0.00 0.35 0.41 -1.61 -0.54 0.00 0.00 174.62 173.23 3gvp s GLU 422 N -1.41 0.67 0.06 3.99 0.41 -1.26 -0.45 118.70 120.71 3gvp s GLU 422 Ca 0.15 0.15 0.22 0.00 -0.41 0.00 0.00 54.97 55.08 3gvp s GLU 422 Cb -0.11 0.31 -0.12 0.00 -1.78 0.00 0.00 34.13 32.43 3gvp s GLU 422 CO 0.05 -0.16 0.82 0.44 -0.49 0.00 0.00 175.26 175.92 3gvp n ILE 423 N 1.76 0.22 -3.55 -1.63 -6.64 -1.26 -4.90 119.36 103.36 3gvp n ILE 423 Ca -0.18 -0.41 -0.40 0.00 -1.77 0.00 0.00 62.75 59.99 3gvp n ILE 423 Cb 0.56 0.03 -0.11 0.00 -1.44 0.00 0.00 39.64 38.69 3gvp n ILE 423 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3gvp s ASP 424 N -4.47 6.03 0.57 7.28 -1.08 -1.26 -4.96 116.67 118.78 3gvp s ASP 424 Ca -0.02 -0.32 0.35 0.00 -0.52 0.00 0.00 52.55 52.05 3gvp s ASP 424 Cb 0.13 -2.13 1.56 0.00 -1.46 0.00 0.00 42.92 41.02 3gvp s ASP 424 CO 0.84 -0.18 2.06 1.55 0.52 0.00 0.00 175.17 179.95 3gvp h PRO 425 N 8.45 0.00 -0.06 4.34 0.13 -1.98 0.02 132.00 142.90 3gvp h PRO 425 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 3gvp h PRO 425 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gvp h PRO 425 CO 0.61 0.01 -0.17 0.82 -0.23 0.00 0.00 178.00 179.04 3gvp h ILE 426 N 0.00 1.43 -0.53 -3.56 2.04 -1.99 -0.66 117.51 114.24 3gvp h ILE 426 Ca -0.00 -1.54 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 3gvp h ILE 426 Cb 0.42 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3gvp h ILE 426 CO 0.00 0.43 0.16 0.00 0.00 0.00 0.00 178.15 178.75 3gvp h ALA 428 N 1.03 0.46 -0.93 0.00 0.00 -1.00 -1.89 119.26 116.93 3gvp h ALA 428 Ca 0.17 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3gvp h ALA 428 Cb 0.28 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3gvp h ALA 428 CO -0.01 -0.40 0.60 1.25 0.00 0.00 0.00 179.25 180.70 3gvp h LEU 429 N 0.09 1.00 -0.86 0.00 5.85 -0.98 -2.12 115.31 118.28 3gvp h LEU 429 Ca 0.26 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3gvp h LEU 429 Cb 0.40 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3gvp h LEU 429 CO -0.45 0.67 0.12 1.56 -0.34 0.00 0.00 178.44 180.00 3gvp h GLN 430 N 1.16 0.96 -0.31 1.25 4.20 -1.13 -1.47 115.11 119.77 3gvp h GLN 430 Ca 0.38 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.89 3gvp h GLN 430 Cb 0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3gvp h GLN 430 CO -0.13 0.88 0.14 0.00 -0.67 0.00 0.00 178.83 179.05 3gvp h ALA 431 N 1.21 0.38 -0.28 3.87 0.00 -0.78 -0.39 119.26 123.27 3gvp h ALA 431 Ca 0.19 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3gvp h ALA 431 Cb 0.37 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3gvp h ALA 431 CO 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 179.25 178.93 3gvp h MET 433 N -0.02 0.00 -0.01 0.00 2.07 -1.08 -1.33 114.93 114.56 3gvp h MET 433 Ca 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 3gvp h MET 433 Cb 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.95 3gvp h MET 433 CO -0.30 0.10 -0.03 -0.25 1.07 0.00 0.00 176.91 177.51 3gvp n ASP 434 N -3.47 1.03 0.00 1.22 8.00 -0.17 -4.92 116.55 118.23 3gvp n ASP 434 Ca -0.01 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3gvp n ASP 434 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3gvp n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvp n GLY 435 N 1.15 1.18 3.49 0.44 0.00 -0.50 -5.05 105.19 105.90 3gvp n GLY 435 Ca 0.19 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3gvp n GLY 435 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gvp s PHE 436 N -2.00 2.70 0.20 1.61 0.08 -0.68 -5.02 117.98 114.87 3gvp s PHE 436 Ca 0.00 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3gvp s PHE 436 Cb 0.00 -1.60 -0.09 0.00 -0.57 0.00 0.00 43.02 40.76 3gvp s PHE 436 CO 0.00 0.22 1.35 1.03 -0.10 0.00 0.00 175.22 177.72 3gvp s ARG 437 N -0.92 4.35 -0.34 0.44 1.81 -1.26 -3.78 118.95 119.25 3gvp s ARG 437 Ca 0.13 2.11 -0.10 0.00 -1.72 0.00 0.00 55.73 56.15 3gvp s ARG 437 Cb -0.11 -3.18 0.01 0.00 -0.45 0.00 0.00 34.95 31.22 3gvp s ARG 437 CO 0.02 -0.32 0.17 -1.17 -0.68 0.00 0.00 175.30 173.33 3gvp s LEU 438 N -0.01 4.40 0.20 2.53 1.98 -1.26 -1.33 118.68 125.19 3gvp s LEU 438 Ca 0.58 -0.78 0.08 0.00 -2.89 0.00 0.00 54.13 51.12 3gvp s LEU 438 Cb -0.38 -2.00 -0.05 0.00 0.66 0.00 0.00 46.19 44.42 3gvp s LEU 438 CO 0.38 -0.29 -0.16 0.68 -1.89 0.00 0.00 176.35 175.07 3gvp s VAL 439 N 1.57 1.82 0.26 1.68 -7.23 0.38 -4.98 120.40 113.90 3gvp s VAL 439 Ca 0.03 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 57.79 3gvp s VAL 439 Cb -0.18 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 3gvp s VAL 439 CO 0.06 -0.51 0.86 -0.54 -0.31 0.00 0.00 175.10 174.66 3gvp s LYS 440 N -3.43 4.54 0.28 4.82 1.02 -1.26 -4.16 119.74 121.54 3gvp s LYS 440 Ca 0.21 1.21 0.01 0.00 0.02 0.00 0.00 55.97 57.42 3gvp s LYS 440 Cb -0.02 -2.97 0.66 0.00 -0.52 0.00 0.00 37.83 34.98 3gvp s LYS 440 CO 0.08 0.39 1.68 1.25 -0.92 0.00 0.00 175.35 177.82 3gvp h LEU 441 N 3.57 0.14 -2.52 3.17 5.85 -1.98 -1.24 115.31 122.30 3gvp h LEU 441 Ca -0.47 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3gvp h LEU 441 Cb 1.20 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3gvp h LEU 441 CO 0.66 -0.07 -0.02 0.78 -0.34 0.00 0.00 178.44 179.45 3gvp h ASN 442 N 0.30 0.00 0.59 1.25 2.35 -2.00 -1.20 115.58 116.87 3gvp h ASN 442 Ca 0.52 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.21 3gvp h ASN 442 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3gvp h ASN 442 CO -0.57 0.02 -0.31 -0.33 -1.65 0.00 0.00 177.43 174.58 3gvp h GLU 443 N 0.00 0.00 0.00 0.81 5.08 -1.62 -3.33 114.58 115.52 3gvp h GLU 443 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gvp h GLU 443 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gvp h GLU 443 CO 0.00 0.31 0.00 1.33 -1.00 0.00 0.00 179.01 179.65 3gvp n VAL 444 N -3.73 0.00 0.19 3.13 0.24 -0.80 -4.82 118.33 112.54 3gvp n VAL 444 Ca -0.01 -0.41 0.06 0.00 -2.04 0.00 0.00 64.34 61.94 3gvp n VAL 444 Cb 0.41 1.17 0.54 0.00 -1.47 0.00 0.00 33.84 34.49 3gvp n VAL 444 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3gvp h ILE 445 N 0.17 1.07 0.00 1.34 6.09 -1.36 -1.49 117.51 123.33 3gvp h ILE 445 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3gvp h ILE 445 Cb 0.08 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.39 3gvp h ILE 445 CO 0.00 0.09 0.00 0.54 -3.07 0.00 0.00 178.15 175.71 3gvp n ARG 446 N -4.45 0.27 -0.00 2.19 1.74 -1.26 -4.00 116.66 111.15 3gvp n ARG 446 Ca -0.01 0.24 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 3gvp n ARG 446 Cb 0.14 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 3gvp n ARG 446 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gvp n GLN 447 N -2.29 2.96 -2.20 5.56 10.64 -0.63 -4.00 117.38 127.42 3gvp n GLN 447 Ca 0.05 -0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 54.86 3gvp n GLN 447 Cb 0.42 -0.91 0.00 0.00 -0.86 0.00 0.00 30.24 28.89 3gvp n GLN 447 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3gvp s VAL 448 N -1.88 3.39 -0.13 -0.39 -7.23 -0.77 -4.87 120.40 108.52 3gvp s VAL 448 Ca 0.00 0.80 0.18 0.00 -1.81 0.00 0.00 61.98 61.15 3gvp s VAL 448 Cb 0.04 -3.30 -0.22 0.00 0.56 0.00 0.00 36.38 33.45 3gvp s VAL 448 CO 0.21 -0.25 0.47 0.47 -0.31 0.00 0.00 175.10 175.69 3gvp n ASP 449 N -1.52 0.38 -3.82 4.85 8.00 0.46 -4.66 116.55 120.24 3gvp n ASP 449 Ca 0.11 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 3gvp n ASP 449 Cb 0.52 0.81 -0.15 0.00 -0.02 0.00 0.00 41.12 42.28 3gvp n ASP 449 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gvp s ILE 450 N -2.87 -0.03 -0.14 0.53 1.01 -1.00 -0.59 121.20 118.13 3gvp s ILE 450 Ca -0.07 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3gvp s ILE 450 Cb 0.09 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.50 3gvp s ILE 450 CO 0.84 0.04 -0.19 -0.69 0.00 0.00 0.00 174.94 174.94 3gvp s VAL 451 N 0.51 2.42 -0.13 2.92 1.01 0.15 -1.46 120.40 125.82 3gvp s VAL 451 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3gvp s VAL 451 Cb -0.06 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3gvp s VAL 451 CO -0.02 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3gvp s ILE 452 N 0.65 1.36 -0.17 2.22 1.01 -0.08 -1.25 121.20 124.94 3gvp s ILE 452 Ca -0.09 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3gvp s ILE 452 Cb -0.16 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3gvp s ILE 452 CO 0.02 0.42 0.44 0.42 0.00 0.00 0.00 174.94 176.24 3gvp s THR 453 N 1.43 5.18 -0.28 2.92 -4.23 -0.88 -0.44 115.64 119.34 3gvp s THR 453 Ca 0.02 0.83 0.21 0.00 -1.18 0.00 0.00 61.69 61.57 3gvp s THR 453 Cb -0.13 -3.77 0.49 0.00 1.34 0.00 0.00 72.50 70.43 3gvp s THR 453 CO -0.08 0.27 1.07 0.00 -0.54 0.00 0.00 174.62 175.34 3gvp n THR 455 N -0.46 0.80 -1.14 0.00 -2.24 -1.22 -4.52 114.28 105.50 3gvp n THR 455 Ca 0.09 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 3gvp n THR 455 Cb 0.81 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 3gvp n THR 455 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gvp n GLY 456 N 2.13 0.73 3.64 3.38 0.00 -1.26 -5.02 105.19 108.79 3gvp n GLY 456 Ca -0.19 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 3gvp n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gvp s ASN 457 N -2.53 4.01 0.25 1.61 3.84 -1.26 -4.96 114.94 115.91 3gvp s ASN 457 Ca 0.00 -1.24 0.09 0.00 0.21 0.00 0.00 52.86 51.92 3gvp s ASN 457 Cb 0.00 -0.43 -0.04 0.00 -0.55 0.00 0.00 41.25 40.23 3gvp s ASN 457 CO 0.00 -0.41 0.06 -1.59 -2.79 0.00 0.00 177.10 172.37 3gvp s LYS 458 N -3.74 2.50 -1.43 0.43 -2.85 -1.26 -4.07 119.74 109.32 3gvp s LYS 458 Ca 0.36 -1.28 -0.05 0.00 -1.00 0.00 0.00 55.97 53.99 3gvp s LYS 458 Cb 0.06 -2.30 0.04 0.00 -2.06 0.00 0.00 37.83 33.57 3gvp s LYS 458 CO 0.19 0.38 0.71 0.09 0.10 0.00 0.00 175.35 176.82 3gvp n ASN 459 N -0.92 -2.09 0.14 0.03 3.02 0.23 -4.89 115.26 110.77 3gvp n ASN 459 Ca -0.07 -0.87 -0.23 0.00 -0.03 0.00 0.00 54.58 53.37 3gvp n ASN 459 Cb 0.58 -3.65 -0.16 0.00 -0.61 0.00 0.00 39.78 35.95 3gvp n ASN 459 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gvp h VAL 460 N -1.89 1.28 -3.66 2.41 2.07 -0.82 -3.40 116.25 112.24 3gvp h VAL 460 Ca -0.61 -2.73 -0.69 0.00 0.82 0.00 0.00 66.70 63.49 3gvp h VAL 460 Cb 1.37 3.01 -0.30 0.00 -1.52 0.00 0.00 31.29 33.84 3gvp h VAL 460 CO 0.63 0.83 -0.61 -0.69 0.02 0.00 0.00 177.57 177.74 3gvp s VAL 461 N -2.61 3.56 0.56 2.57 1.01 -0.67 -5.02 120.40 119.80 3gvp s VAL 461 Ca -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3gvp s VAL 461 Cb 0.05 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3gvp s VAL 461 CO 0.93 -0.25 0.79 0.42 0.00 0.00 0.00 175.10 176.99 3gvp s THR 462 N 1.33 2.74 0.26 3.92 -4.23 -1.26 -0.69 115.64 117.72 3gvp s THR 462 Ca -0.01 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 3gvp s THR 462 Cb -0.20 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 70.84 3gvp s THR 462 CO 0.01 -0.03 1.71 -0.09 -0.54 0.00 0.00 174.62 175.68 3gvp h ARG 463 N 0.04 0.40 -0.86 3.99 9.65 -1.93 -0.92 114.38 124.74 3gvp h ARG 463 Ca -0.43 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3gvp h ARG 463 Cb 1.29 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 3gvp h ARG 463 CO 0.53 0.26 0.48 0.93 2.80 0.00 0.00 179.97 184.97 3gvp h GLU 464 N 0.41 1.19 -0.65 0.20 3.07 -1.99 0.11 114.58 116.92 3gvp h GLU 464 Ca 0.45 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 3gvp h GLU 464 Cb 0.75 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 3gvp h GLU 464 CO -0.45 0.86 0.34 0.45 -1.40 0.00 0.00 179.01 178.80 3gvp h HIS 465 N 1.20 0.92 -0.59 4.33 3.86 -1.58 -2.36 115.15 120.93 3gvp h HIS 465 Ca 0.30 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 3gvp h HIS 465 Cb 0.01 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 3gvp h HIS 465 CO 0.01 0.67 0.06 -0.07 0.86 0.00 0.00 177.93 179.47 3gvp h LEU 466 N 0.90 0.93 -1.59 2.43 3.38 -0.54 -1.88 115.31 118.94 3gvp h LEU 466 Ca 0.23 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gvp h LEU 466 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3gvp h LEU 466 CO -0.03 0.95 0.33 0.44 0.09 0.00 0.00 178.44 180.22 3gvp h ASP 467 N 0.91 0.46 1.59 -0.43 3.32 -0.64 -2.98 116.42 118.65 3gvp h ASP 467 Ca 0.18 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3gvp h ASP 467 Cb 0.44 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3gvp h ASP 467 CO 0.02 0.31 -0.41 0.03 -1.72 0.00 0.00 179.24 177.46 3gvp h ARG 468 N 0.53 0.00 -6.97 3.56 3.08 -0.87 -3.47 114.38 110.23 3gvp h ARG 468 Ca 0.20 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.69 3gvp h ARG 468 Cb 0.14 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.35 3gvp h ARG 468 CO -0.05 0.10 0.42 -1.33 -1.07 0.00 0.00 179.97 178.04 3gvp n MET 469 N -3.01 1.29 -1.75 0.04 2.81 -0.76 -4.19 117.12 111.56 3gvp n MET 469 Ca 0.02 0.49 -0.31 0.00 -1.81 0.00 0.00 57.70 56.09 3gvp n MET 469 Cb 0.59 -2.41 0.04 0.00 -0.71 0.00 0.00 33.22 30.73 3gvp n MET 469 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3gvp s LYS 470 N -2.92 3.02 0.17 0.03 -2.85 -1.26 -4.96 119.74 110.97 3gvp s LYS 470 Ca 0.75 0.72 -0.33 0.00 -1.00 0.00 0.00 55.97 56.11 3gvp s LYS 470 Cb -0.42 -2.02 -0.13 0.00 -2.06 0.00 0.00 37.83 33.21 3gvp s LYS 470 CO 0.47 -0.98 1.67 -1.71 0.10 0.00 0.00 175.35 174.90 3gvp n ASN 471 N -3.02 3.59 0.00 0.03 5.15 -1.26 -2.07 115.26 117.68 3gvp n ASN 471 Ca 0.07 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 3gvp n ASN 471 Cb 0.55 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 3gvp n ASN 471 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3gvp n SER 472 N 3.95 -2.16 -4.76 1.20 3.41 0.82 -4.95 113.62 111.13 3gvp n SER 472 Ca 0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 3gvp n SER 472 Cb 0.32 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 3gvp n SER 472 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gvp s ILE 474 N -0.37 5.40 -0.05 0.00 -1.09 0.25 -0.61 121.20 124.73 3gvp s ILE 474 Ca 0.59 0.34 0.01 0.00 -2.23 0.00 0.00 60.65 59.36 3gvp s ILE 474 Cb -0.46 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3gvp s ILE 474 CO 0.52 0.58 -0.05 -0.69 -1.23 0.00 0.00 174.94 174.07 3gvp s VAL 475 N -0.81 0.64 0.18 2.92 1.01 -0.08 -0.67 120.40 123.59 3gvp s VAL 475 Ca 0.16 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3gvp s VAL 475 Cb -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3gvp s VAL 475 CO 0.05 0.25 0.47 0.00 0.00 0.00 0.00 175.10 175.88 3gvp s ASN 477 N -2.88 3.20 -0.02 0.00 2.47 -1.26 -2.07 114.94 114.38 3gvp s ASN 477 Ca 0.10 -0.54 0.04 0.00 0.42 0.00 0.00 52.86 52.88 3gvp s ASN 477 Cb -0.00 -1.44 0.10 0.00 -1.45 0.00 0.00 41.25 38.46 3gvp s ASN 477 CO -0.04 0.15 1.07 0.23 -3.72 0.00 0.00 177.10 174.80 3gvp n MET 478 N 3.58 2.77 0.00 0.43 2.81 0.78 -1.07 117.12 126.43 3gvp n MET 478 Ca -0.19 -1.76 0.00 0.00 -1.81 0.00 0.00 57.70 53.94 3gvp n MET 478 Cb 0.53 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 3gvp n MET 478 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gvp n GLY 479 N -0.45 0.25 3.15 3.03 0.00 -0.91 -4.81 105.19 105.44 3gvp n GLY 479 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3gvp n GLY 479 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gvp s HIS 480 N 1.33 1.03 0.00 1.61 -3.43 -1.26 -4.90 115.29 109.67 3gvp s HIS 480 Ca 0.00 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 3gvp s HIS 480 Cb 0.00 -0.58 0.00 0.00 -1.43 0.00 0.00 32.58 30.57 3gvp s HIS 480 CO 0.00 0.01 0.00 0.45 -2.00 0.00 0.00 174.74 173.20 3gvp n SER 481 N 1.09 0.00 -0.46 7.38 2.88 -1.26 -4.19 113.62 119.05 3gvp n SER 481 Ca -0.20 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.35 3gvp n SER 481 Cb 0.55 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 3gvp n SER 481 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3gvp n ASN 482 N 0.10 0.14 -0.48 -3.46 6.94 -1.26 -3.78 115.26 113.47 3gvp n ASN 482 Ca 0.00 -2.03 0.05 0.00 -0.02 0.00 0.00 54.58 52.58 3gvp n ASN 482 Cb 0.00 -0.21 0.09 0.00 -2.36 0.00 0.00 39.78 37.30 3gvp n ASN 482 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3gvp n THR 483 N -0.08 0.53 -0.03 5.53 -2.24 -1.26 -4.51 114.28 112.21 3gvp n THR 483 Ca 0.01 -0.76 -0.16 0.00 -2.27 0.00 0.00 64.05 60.87 3gvp n THR 483 Cb 0.69 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 3gvp n THR 483 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3gvp h GLU 484 N 1.82 0.52 -5.74 -0.78 5.08 -1.78 0.67 114.58 114.37 3gvp h GLU 484 Ca 0.00 -0.41 -0.59 0.00 -1.00 0.00 0.00 59.36 57.37 3gvp h GLU 484 Cb 0.56 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 3gvp h GLU 484 CO 0.00 1.03 -0.20 0.42 -1.00 0.00 0.00 179.01 179.27 3gvp s ILE 485 N -3.73 5.18 -1.36 3.13 1.01 -1.26 -0.21 121.20 123.95 3gvp s ILE 485 Ca -0.13 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 61.20 3gvp s ILE 485 Cb 0.06 -3.75 0.07 0.00 0.01 0.00 0.00 42.46 38.84 3gvp s ILE 485 CO 0.82 0.40 1.94 -0.67 0.00 0.00 0.00 174.94 177.43 3gvp n ASP 486 N 3.25 4.50 0.13 3.58 -0.08 0.14 -4.71 116.55 123.36 3gvp n ASP 486 Ca -0.10 -2.90 0.02 0.00 -1.51 0.00 0.00 54.79 50.31 3gvp n ASP 486 Cb 0.52 -1.69 0.39 0.00 2.34 0.00 0.00 41.12 42.68 3gvp n ASP 486 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3gvp h VAL 487 N 4.74 1.19 -0.18 5.18 2.07 -1.88 -2.36 116.25 125.00 3gvp h VAL 487 Ca 0.49 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3gvp h VAL 487 Cb 0.76 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3gvp h VAL 487 CO 1.64 0.26 0.04 0.00 0.02 0.00 0.00 177.57 179.53 3gvp h ALA 488 N 1.65 1.74 0.00 1.67 0.00 -1.91 -1.85 119.26 120.56 3gvp h ALA 488 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gvp h ALA 488 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gvp h ALA 488 CO 0.03 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.14 3gvp h SER 489 N 0.25 0.00 -0.11 0.00 4.64 -1.82 -1.96 113.55 114.56 3gvp h SER 489 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3gvp h SER 489 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gvp h SER 489 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3gvp n LEU 490 N -2.30 1.91 -2.44 5.97 4.77 -0.70 -4.36 117.00 119.85 3gvp n LEU 490 Ca 0.01 -0.72 -0.28 0.00 -0.03 0.00 0.00 56.01 54.99 3gvp n LEU 490 Cb 0.17 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3gvp n LEU 490 CO 0.17 0.36 1.49 0.54 -1.33 0.00 0.00 177.39 178.62 3gvp n ARG 491 N 0.48 2.38 -4.10 3.23 5.12 -0.74 -4.82 116.66 118.21 3gvp n ARG 491 Ca 0.17 -2.52 -0.31 0.00 -1.93 0.00 0.00 57.85 53.26 3gvp n ARG 491 Cb 0.40 -2.08 -0.07 0.00 -1.16 0.00 0.00 32.46 29.54 3gvp n ARG 491 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gvp s THR 492 N -3.07 4.43 -0.24 0.55 -4.23 -1.26 -5.02 115.64 106.80 3gvp s THR 492 Ca 0.53 -0.71 0.25 0.00 -1.18 0.00 0.00 61.69 60.57 3gvp s THR 492 Cb 0.38 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.39 3gvp s THR 492 CO -0.20 0.20 1.75 -0.65 -0.54 0.00 0.00 174.62 175.19 3gvp h PRO 493 N 3.61 0.00 0.00 3.99 0.11 -1.98 -2.21 132.00 135.52 3gvp h PRO 493 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gvp h PRO 493 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gvp h PRO 493 CO 0.63 0.00 -0.09 -0.85 -0.21 0.00 0.00 178.00 177.48 3gvp n GLU 494 N -2.37 0.08 -3.84 1.05 0.00 -1.26 -4.82 120.64 109.49 3gvp n GLU 494 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 57.16 56.85 3gvp n GLU 494 Cb 0.14 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 29.94 3gvp n GLU 494 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3gvp s LEU 495 N -3.44 4.40 0.00 -1.84 1.43 -0.83 -4.09 118.68 114.31 3gvp s LEU 495 Ca 0.12 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 3gvp s LEU 495 Cb 0.17 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3gvp s LEU 495 CO 0.58 0.39 -0.09 0.42 0.23 0.00 0.00 176.35 177.87 3gvp s THR 496 N -1.06 3.48 -0.13 5.49 -4.23 -0.78 -4.79 115.64 113.61 3gvp s THR 496 Ca 0.17 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3gvp s THR 496 Cb -0.13 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3gvp s THR 496 CO 0.06 0.41 -0.07 0.26 -0.54 0.00 0.00 174.62 174.74 3gvp s TRP 497 N -0.96 2.96 -0.16 3.99 0.52 -1.26 -0.77 118.94 123.26 3gvp s TRP 497 Ca 0.16 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.98 3gvp s TRP 497 Cb -0.11 -1.88 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 3gvp s TRP 497 CO 0.06 -0.01 -0.21 -1.21 0.02 0.00 0.00 176.95 175.61 3gvp s GLU 498 N 0.13 3.02 -0.24 4.98 2.02 -0.43 -4.98 118.70 123.20 3gvp s GLU 498 Ca -0.03 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 3gvp s GLU 498 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.60 3gvp s GLU 498 CO 0.03 -0.09 1.13 0.50 0.02 0.00 0.00 175.26 176.86 3gvp s ARG 499 N 0.99 4.18 -0.01 1.61 6.06 -1.26 -0.20 118.95 130.32 3gvp s ARG 499 Ca -0.02 1.37 0.09 0.00 -2.50 0.00 0.00 55.73 54.67 3gvp s ARG 499 Cb -0.15 -3.71 -0.13 0.00 0.06 0.00 0.00 34.95 31.02 3gvp s ARG 499 CO -0.06 -0.75 0.27 0.28 -2.50 0.00 0.00 175.30 172.54 3gvp n VAL 500 N 5.53 0.00 -3.59 7.11 0.31 0.05 -4.99 118.33 122.74 3gvp n VAL 500 Ca 0.13 -0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.16 3gvp n VAL 500 Cb 0.46 0.53 -0.02 0.00 -0.91 0.00 0.00 33.84 33.90 3gvp n VAL 500 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3gvp s ARG 501 N -2.38 0.84 0.18 5.55 3.52 -1.17 -5.02 118.95 120.46 3gvp s ARG 501 Ca -0.01 -0.38 -0.33 0.00 -0.13 0.00 0.00 55.73 54.88 3gvp s ARG 501 Cb 0.06 0.34 -0.14 0.00 -1.56 0.00 0.00 34.95 33.66 3gvp s ARG 501 CO 0.39 -0.37 1.58 0.45 -0.81 0.00 0.00 175.30 176.53 3gvp n SER 502 N -0.31 3.19 -0.51 -2.12 2.88 -1.26 -1.67 113.62 113.82 3gvp n SER 502 Ca -0.07 1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 58.49 3gvp n SER 502 Cb 0.61 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 3gvp n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gvp n GLN 503 N 3.27 -1.20 -3.88 -1.46 1.13 -1.26 -4.95 117.38 109.03 3gvp n GLN 503 Ca 0.16 0.65 -0.28 0.00 -1.94 0.00 0.00 57.00 55.59 3gvp n GLN 503 Cb 0.30 -4.72 -0.16 0.00 0.11 0.00 0.00 30.24 25.77 3gvp n GLN 503 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gvp s VAL 504 N -1.88 1.12 -0.08 5.09 1.01 -0.67 0.14 120.40 125.12 3gvp s VAL 504 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3gvp s VAL 504 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3gvp s VAL 504 CO 0.00 0.06 -0.10 -1.81 0.00 0.00 0.00 175.10 173.24 3gvp s ASP 505 N 1.62 4.33 -0.21 3.32 1.01 -0.54 -0.77 116.67 125.41 3gvp s ASP 505 Ca -0.01 -0.15 -0.14 0.00 0.71 0.00 0.00 52.55 52.96 3gvp s ASP 505 Cb -0.16 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 3gvp s ASP 505 CO -0.07 0.30 0.33 -1.00 0.21 0.00 0.00 175.17 174.93 3gvp s HIS 506 N -0.44 3.35 -0.20 4.23 3.76 0.72 -0.81 115.29 125.91 3gvp s HIS 506 Ca 0.06 0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 3gvp s HIS 506 Cb -0.12 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 3gvp s HIS 506 CO 0.02 0.01 0.00 0.08 -0.85 0.00 0.00 174.74 174.00 3gvp s VAL 507 N 1.25 3.99 -0.07 -0.90 1.01 0.00 -1.32 120.40 124.36 3gvp s VAL 507 Ca 0.16 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3gvp s VAL 507 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3gvp s VAL 507 CO 0.07 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 3gvp s ILE 508 N 0.91 1.55 0.41 2.22 1.01 0.05 -1.08 121.20 126.27 3gvp s ILE 508 Ca 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3gvp s ILE 508 Cb -0.14 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3gvp s ILE 508 CO 0.02 0.45 0.66 0.26 0.00 0.00 0.00 174.94 176.33 3gvp s TRP 509 N 0.35 3.53 0.36 3.97 0.51 -0.08 -1.86 118.94 125.72 3gvp s TRP 509 Ca -0.12 0.57 0.16 0.00 -2.12 0.00 0.00 56.10 54.59 3gvp s TRP 509 Cb -0.15 -2.09 1.08 0.00 -0.81 0.00 0.00 33.47 31.50 3gvp s TRP 509 CO 0.05 -0.07 1.69 -1.35 -0.51 0.00 0.00 176.95 176.76 3gvp h PRO 510 N 0.50 0.36 -0.01 4.98 0.11 -1.90 0.21 132.00 136.25 3gvp h PRO 510 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gvp h PRO 510 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gvp h PRO 510 CO 0.61 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 3gvp n ASP 511 N -4.91 0.11 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.30 3gvp n ASP 511 Ca 0.30 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 3gvp n ASP 511 Cb 0.96 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 3gvp n ASP 511 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gvp n GLY 512 N 0.82 0.99 3.73 6.12 0.00 0.75 -5.05 105.19 112.55 3gvp n GLY 512 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gvp n GLY 512 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gvp s LYS 513 N -0.54 4.19 0.24 1.61 2.20 -1.26 -4.71 119.74 121.46 3gvp s LYS 513 Ca 0.00 2.44 0.11 0.00 -0.36 0.00 0.00 55.97 58.16 3gvp s LYS 513 Cb 0.00 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 3gvp s LYS 513 CO 0.00 -0.58 -0.20 -0.98 -0.36 0.00 0.00 175.35 173.22 3gvp s ARG 514 N 0.27 1.55 0.03 4.03 1.70 -1.26 -0.90 118.95 124.37 3gvp s ARG 514 Ca 0.66 -1.64 0.07 0.00 -0.47 0.00 0.00 55.73 54.35 3gvp s ARG 514 Cb -0.45 -1.67 -0.02 0.00 -0.57 0.00 0.00 34.95 32.24 3gvp s ARG 514 CO 0.39 0.33 -0.21 0.42 -1.08 0.00 0.00 175.30 175.15 3gvp s ILE 515 N -2.29 1.69 -0.42 4.99 1.09 -0.24 -0.13 121.20 125.89 3gvp s ILE 515 Ca 0.25 -1.12 -0.12 0.00 -1.10 0.00 0.00 60.65 58.56 3gvp s ILE 515 Cb -0.05 -1.44 0.05 0.00 -1.06 0.00 0.00 42.46 39.95 3gvp s ILE 515 CO 0.12 0.29 0.29 -0.69 -0.10 0.00 0.00 174.94 174.85 3gvp s VAL 516 N -0.71 4.79 -0.17 2.92 1.01 0.22 -0.82 120.40 127.65 3gvp s VAL 516 Ca 0.08 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3gvp s VAL 516 Cb -0.09 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3gvp s VAL 516 CO 0.01 -0.40 0.29 -0.22 0.00 0.00 0.00 175.10 174.78 3gvp s LEU 517 N 1.57 4.22 -0.18 3.92 2.96 0.01 -0.90 118.68 130.28 3gvp s LEU 517 Ca 0.03 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 3gvp s LEU 517 Cb -0.21 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3gvp s LEU 517 CO 0.06 0.07 0.07 -0.76 -1.32 0.00 0.00 176.35 174.48 3gvp s LEU 518 N 0.65 3.90 -1.76 -0.68 1.43 -0.84 -1.47 118.68 119.89 3gvp s LEU 518 Ca 0.16 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3gvp s LEU 518 Cb -0.13 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3gvp s LEU 518 CO 0.04 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.81 3gvp n ALA 519 N 3.43 -0.55 -2.29 4.21 0.00 0.12 -1.19 120.51 124.24 3gvp n ALA 519 Ca -0.17 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 3gvp n ALA 519 Cb 0.52 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 3gvp n ALA 519 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gvp n GLU 520 N -2.84 -2.14 -0.86 0.00 1.02 -1.26 -1.21 120.64 113.34 3gvp n GLU 520 Ca -0.23 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3gvp n GLU 520 Cb 0.68 -5.11 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 3gvp n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvp n GLY 521 N -0.70 0.82 3.83 0.62 0.00 -0.34 -4.91 105.19 104.51 3gvp n GLY 521 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3gvp n GLY 521 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gvp s ARG 522 N -0.14 1.59 -0.13 1.61 0.52 -0.35 -4.27 118.95 117.78 3gvp s ARG 522 Ca 0.00 0.29 -0.34 0.00 -0.52 0.00 0.00 55.73 55.16 3gvp s ARG 522 Cb 0.00 -1.89 -0.12 0.00 0.52 0.00 0.00 34.95 33.46 3gvp s ARG 522 CO 0.00 -1.89 1.91 1.28 0.02 0.00 0.00 175.30 176.63 3gvp n LEU 523 N -3.55 3.26 -0.33 2.53 4.32 -1.25 -4.27 117.00 117.71 3gvp n LEU 523 Ca 0.07 0.90 -0.03 0.00 -0.02 0.00 0.00 56.01 56.93 3gvp n LEU 523 Cb 0.59 -1.35 0.09 0.00 -1.62 0.00 0.00 43.42 41.13 3gvp n LEU 523 CO 0.57 -0.16 1.25 0.25 -1.22 0.00 0.00 177.39 178.08 3gvp h LEU 524 N 9.59 1.02 -1.18 2.23 5.85 -1.44 -2.98 115.31 128.39 3gvp h LEU 524 Ca -0.46 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3gvp h LEU 524 Cb 1.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3gvp h LEU 524 CO 0.96 0.74 -0.35 -0.55 -0.34 0.00 0.00 178.44 178.89 3gvp h ASN 525 N 1.20 0.10 0.02 1.25 -1.07 -1.88 -0.65 115.58 114.56 3gvp h ASN 525 Ca 0.32 -0.03 -0.11 0.00 0.07 0.00 0.00 56.30 56.55 3gvp h ASN 525 Cb -0.14 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.07 3gvp h ASN 525 CO -0.07 0.45 -0.33 -0.07 0.07 0.00 0.00 177.43 177.48 3gvp h LEU 526 N 0.08 0.44 0.00 6.14 3.38 -1.81 -0.99 115.31 122.56 3gvp h LEU 526 Ca 0.01 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3gvp h LEU 526 Cb 0.67 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3gvp h LEU 526 CO 0.05 0.75 -1.77 -1.20 0.09 0.00 0.00 178.44 176.36 3gvp n SER 527 N -4.08 0.38 -0.02 -0.43 7.64 -1.15 -4.63 113.62 111.33 3gvp n SER 527 Ca -0.01 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3gvp n SER 527 Cb 0.45 1.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.66 3gvp n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvp n SER 529 N -0.33 -0.60 -4.02 0.00 2.88 -0.38 -4.05 113.62 107.11 3gvp n SER 529 Ca 0.01 -2.71 -0.22 0.00 -1.33 0.00 0.00 58.87 54.62 3gvp n SER 529 Cb 0.38 1.38 -0.16 0.00 -0.75 0.00 0.00 64.21 65.07 3gvp n SER 529 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3gvp s THR 530 N -3.04 0.92 0.00 2.46 2.01 -1.26 -4.73 115.64 112.00 3gvp s THR 530 Ca 0.31 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 3gvp s THR 530 Cb 0.01 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3gvp s THR 530 CO 0.22 0.28 1.27 -0.69 -0.69 0.00 0.00 174.62 175.01 3gvp s VAL 531 N 0.21 3.98 0.57 3.82 1.01 -1.26 -4.98 120.40 123.75 3gvp s VAL 531 Ca -0.04 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 3gvp s VAL 531 Cb -0.10 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3gvp s VAL 531 CO 0.01 0.03 1.31 -2.84 0.00 0.00 0.00 175.10 173.61 3gvp s PRO 532 N 1.91 3.03 0.31 2.72 0.02 -1.26 -4.86 135.00 136.87 3gvp s PRO 532 Ca 0.60 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.71 3gvp s PRO 532 Cb -0.29 -2.13 0.49 0.00 0.02 0.00 0.00 34.50 32.59 3gvp s PRO 532 CO 0.26 -1.23 1.98 1.15 -0.33 0.00 0.00 177.00 178.82 3gvp h THR 533 N 1.20 1.20 -0.61 0.99 2.02 -1.93 -2.15 112.91 113.63 3gvp h THR 533 Ca -0.51 -0.36 0.11 0.00 0.77 0.00 0.00 66.41 66.42 3gvp h THR 533 Cb 1.30 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.68 3gvp h THR 533 CO 0.56 0.19 0.17 0.15 0.37 0.00 0.00 175.52 176.96 3gvp h PHE 534 N 1.06 0.27 -0.60 3.16 3.57 -1.91 0.72 116.94 123.22 3gvp h PHE 534 Ca 0.29 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3gvp h PHE 534 Cb -0.11 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3gvp h PHE 534 CO -0.00 0.01 0.12 0.28 -2.23 0.00 0.00 178.31 176.49 3gvp h VAL 535 N 0.31 1.25 -0.05 1.41 2.07 -1.77 -1.75 116.25 117.71 3gvp h VAL 535 Ca 0.32 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3gvp h VAL 535 Cb 0.45 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3gvp h VAL 535 CO -0.37 0.35 -0.20 -0.07 0.02 0.00 0.00 177.57 177.29 3gvp h LEU 536 N 0.90 0.08 -0.52 2.57 3.38 -0.84 -2.44 115.31 118.44 3gvp h LEU 536 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3gvp h LEU 536 Cb 0.36 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3gvp h LEU 536 CO 0.00 0.29 0.27 -1.28 0.09 0.00 0.00 178.44 177.82 3gvp h SER 537 N 0.08 0.67 -0.10 -0.43 0.87 -0.04 -1.23 113.55 113.37 3gvp h SER 537 Ca 0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3gvp h SER 537 Cb 0.41 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3gvp h SER 537 CO 0.03 0.59 0.06 0.40 -0.53 0.00 0.00 176.83 177.37 3gvp h ILE 538 N 0.70 1.02 -0.21 2.23 1.08 -0.97 -0.28 117.51 121.08 3gvp h ILE 538 Ca 0.18 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 3gvp h ILE 538 Cb 0.08 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3gvp h ILE 538 CO -0.03 0.02 0.09 0.74 -0.69 0.00 0.00 178.15 178.28 3gvp h THR 539 N 0.13 1.16 -0.53 -0.27 2.02 -1.38 -1.92 112.91 112.12 3gvp h THR 539 Ca 0.04 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3gvp h THR 539 Cb -0.01 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3gvp h THR 539 CO -0.02 0.16 0.20 0.00 0.37 0.00 0.00 175.52 176.23 3gvp h ALA 540 N 0.93 0.68 -0.47 6.16 0.00 -1.10 0.40 119.26 125.87 3gvp h ALA 540 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gvp h ALA 540 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gvp h ALA 540 CO -0.01 0.30 0.23 1.15 0.00 0.00 0.00 179.25 180.93 3gvp h THR 541 N 0.71 1.18 -0.41 0.00 2.02 -1.04 -0.14 112.91 115.23 3gvp h THR 541 Ca 0.17 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3gvp h THR 541 Cb 0.21 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3gvp h THR 541 CO -0.01 0.20 0.21 0.74 0.37 0.00 0.00 175.52 177.03 3gvp h THR 542 N 0.62 0.97 -0.35 3.16 2.02 -0.99 -1.81 112.91 116.53 3gvp h THR 542 Ca 0.16 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3gvp h THR 542 Cb 0.11 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3gvp h THR 542 CO -0.02 0.08 0.17 1.56 0.37 0.00 0.00 175.52 177.68 3gvp h GLN 543 N 0.42 0.50 -0.20 6.66 4.20 -0.58 -1.48 115.11 124.62 3gvp h GLN 543 Ca 0.18 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3gvp h GLN 543 Cb 0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3gvp h GLN 543 CO -0.12 0.44 -0.08 0.00 -0.67 0.00 0.00 178.83 178.40 3gvp h ALA 544 N 1.03 0.10 -0.33 3.87 0.00 -0.85 -1.54 119.26 121.54 3gvp h ALA 544 Ca 0.12 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3gvp h ALA 544 Cb 0.10 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gvp h ALA 544 CO -0.02 -0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 178.53 3gvp h LEU 545 N -0.04 0.57 -0.71 0.00 3.38 -1.18 -1.16 115.31 116.17 3gvp h LEU 545 Ca 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3gvp h LEU 545 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3gvp h LEU 545 CO -0.23 0.73 0.25 0.00 0.09 0.00 0.00 178.44 179.27 3gvp h ALA 546 N 1.33 0.92 -0.25 1.53 0.00 -0.97 -0.41 119.26 121.41 3gvp h ALA 546 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gvp h ALA 546 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gvp h ALA 546 CO 0.03 0.57 0.05 -0.07 0.00 0.00 0.00 179.25 179.84 3gvp h LEU 547 N 1.03 0.39 -0.07 0.00 3.38 -0.97 -1.00 115.31 118.06 3gvp h LEU 547 Ca 0.23 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gvp h LEU 547 Cb 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3gvp h LEU 547 CO -0.01 0.54 -0.10 0.40 0.09 0.00 0.00 178.44 179.36 3gvp h ILE 548 N 0.22 0.73 0.18 1.22 2.04 -1.12 -0.97 117.51 119.82 3gvp h ILE 548 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3gvp h ILE 548 Cb 0.31 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3gvp h ILE 548 CO 0.00 0.00 -0.28 -0.08 0.00 0.00 0.00 178.15 177.79 3gvp h GLU 549 N -0.13 -0.51 -0.85 2.37 4.57 -1.00 -0.68 114.58 118.34 3gvp h GLU 549 Ca 0.06 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3gvp h GLU 549 Cb 0.22 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 3gvp h GLU 549 CO -0.15 -0.34 0.54 -0.07 -1.18 0.00 0.00 179.01 177.81 3gvp h LEU 550 N -0.53 0.89 -0.39 1.64 3.38 -1.13 -1.55 115.31 117.61 3gvp h LEU 550 Ca 0.01 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3gvp h LEU 550 Cb 0.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gvp h LEU 550 CO -0.12 0.61 -0.62 0.22 0.09 0.00 0.00 178.44 178.62 3gvp h TYR 551 N 1.05 0.81 -0.28 1.13 3.20 -0.87 -3.09 116.97 118.93 3gvp h TYR 551 Ca 0.34 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3gvp h TYR 551 Cb 0.03 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3gvp h TYR 551 CO -0.02 1.09 0.00 0.09 -1.64 0.00 0.00 178.16 177.67 3gvp n ASN 552 N -3.94 2.62 -4.77 -2.11 3.02 -0.29 -4.99 115.26 104.81 3gvp n ASN 552 Ca -0.04 -1.87 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 3gvp n ASN 552 Cb 0.65 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 3gvp n ASN 552 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gvp s ALA 553 N -1.65 3.58 0.63 5.41 0.00 -0.59 -4.99 121.76 124.15 3gvp s ALA 553 Ca 0.35 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.57 3gvp s ALA 553 Cb 0.20 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3gvp s ALA 553 CO 0.29 -0.87 1.29 -0.35 0.00 0.00 0.00 175.76 176.12 3gvp n PRO 554 N 1.05 1.18 -2.93 0.00 -0.04 -1.26 -4.92 135.00 128.08 3gvp n PRO 554 Ca 0.02 0.46 -0.38 0.00 -0.04 0.00 0.00 63.50 63.56 3gvp n PRO 554 Cb 0.40 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 3gvp n PRO 554 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3gvp s GLU 555 N -3.28 4.52 -0.92 0.54 -1.05 -1.26 -1.25 118.70 116.00 3gvp s GLU 555 Ca 0.81 1.17 -0.02 0.00 -0.15 0.00 0.00 54.97 56.78 3gvp s GLU 555 Cb -0.39 -3.03 0.24 0.00 -0.44 0.00 0.00 34.13 30.51 3gvp s GLU 555 CO 0.42 0.44 0.88 0.41 0.95 0.00 0.00 175.26 178.35 3gvp n GLY 556 N 1.06 4.26 0.27 -3.83 0.00 -1.26 -5.03 105.19 100.65 3gvp n GLY 556 Ca -0.02 -2.61 -0.09 0.00 0.00 0.00 0.00 46.02 43.30 3gvp n GLY 556 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gvp h ARG 557 N 5.89 0.91 -5.19 1.61 2.43 -1.53 -3.42 114.38 115.07 3gvp h ARG 557 Ca 0.17 -0.25 -0.67 0.00 -0.81 0.00 0.00 59.98 58.42 3gvp h ARG 557 Cb 0.79 -0.10 -0.32 0.00 -0.42 0.00 0.00 29.97 29.92 3gvp h ARG 557 CO 0.91 0.89 -0.84 0.71 -1.51 0.00 0.00 179.97 180.13 3gvp s TYR 558 N -5.17 2.73 0.00 2.20 2.02 -1.26 -5.06 117.35 112.81 3gvp s TYR 558 Ca -0.12 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.38 3gvp s TYR 558 Cb 0.12 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3gvp s TYR 558 CO 0.82 -0.55 0.00 1.63 -1.57 0.00 0.00 175.55 175.88 3gvp n LYS 559 N 4.08 0.00 -2.94 -0.62 5.02 -1.26 -4.82 118.16 117.61 3gvp n LYS 559 Ca -0.20 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.95 3gvp n LYS 559 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3gvp n LYS 559 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gvp n GLN 560 N -0.13 0.75 -3.82 1.97 6.02 -1.26 -3.21 117.38 117.70 3gvp n GLN 560 Ca 0.00 -2.38 -0.05 0.00 -0.01 0.00 0.00 57.00 54.55 3gvp n GLN 560 Cb 0.00 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3gvp n GLN 560 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gvp s ASP 561 N -1.48 -0.10 -0.33 1.08 2.15 -1.26 -4.86 116.67 111.88 3gvp s ASP 561 Ca 0.33 -0.70 -0.15 0.00 0.43 0.00 0.00 52.55 52.45 3gvp s ASP 561 Cb 0.21 0.63 -0.02 0.00 -0.30 0.00 0.00 42.92 43.44 3gvp s ASP 561 CO -0.19 -1.21 0.39 -0.69 -0.17 0.00 0.00 175.17 173.30 3gvp s VAL 562 N -2.86 5.15 0.24 1.11 1.01 -1.26 -1.48 120.40 122.31 3gvp s VAL 562 Ca 0.15 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.42 3gvp s VAL 562 Cb -0.03 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3gvp s VAL 562 CO 0.06 -0.05 0.18 -0.31 0.00 0.00 0.00 175.10 174.99 3gvp s TYR 563 N 2.09 3.10 0.28 5.22 2.02 0.40 -4.92 117.35 125.54 3gvp s TYR 563 Ca 0.14 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.66 3gvp s TYR 563 Cb -0.16 -1.41 -0.06 0.00 -0.40 0.00 0.00 41.96 39.93 3gvp s TYR 563 CO 0.12 0.52 0.58 -0.51 -1.57 0.00 0.00 175.55 174.68 3gvp s LEU 564 N -3.76 4.06 0.22 -1.29 1.43 -1.26 -0.64 118.68 117.44 3gvp s LEU 564 Ca 0.33 0.82 -0.32 0.00 -1.03 0.00 0.00 54.13 53.92 3gvp s LEU 564 Cb -0.08 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.38 3gvp s LEU 564 CO 0.25 -0.18 1.48 -0.11 0.23 0.00 0.00 176.35 178.01 3gvp n LEU 565 N -0.75 3.20 -4.63 1.79 7.94 -1.26 -4.91 117.00 118.37 3gvp n LEU 565 Ca -0.01 1.12 -0.45 0.00 -1.11 0.00 0.00 56.01 55.57 3gvp n LEU 565 Cb 0.53 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.03 3gvp n LEU 565 CO 0.47 -0.37 0.77 -2.65 -1.11 0.00 0.00 177.39 174.50 3gvp n PRO 566 N 2.51 1.68 -0.35 1.96 -0.02 -1.26 -4.82 135.00 134.70 3gvp n PRO 566 Ca 0.13 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 3gvp n PRO 566 Cb 0.31 -2.10 0.30 0.00 -0.02 0.00 0.00 33.50 31.99 3gvp n PRO 566 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gvp h LYS 567 N 2.77 0.77 -0.06 -0.52 1.63 -1.94 -1.24 116.57 117.98 3gvp h LYS 567 Ca -0.43 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.30 3gvp h LYS 567 Cb 1.31 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3gvp h LYS 567 CO 0.65 0.51 -0.07 0.87 -3.45 0.00 0.00 179.45 177.96 3gvp h LYS 568 N 0.79 0.08 -0.21 1.90 1.79 -1.95 -0.07 116.57 118.91 3gvp h LYS 568 Ca 0.56 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.86 3gvp h LYS 568 Cb 0.81 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3gvp h LYS 568 CO -0.36 0.16 -0.48 0.52 -1.08 0.00 0.00 179.45 178.21 3gvp h MET 569 N 0.08 0.70 -0.74 3.15 2.86 -1.60 -1.37 114.93 118.01 3gvp h MET 569 Ca 0.02 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 3gvp h MET 569 Cb 0.19 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 3gvp h MET 569 CO 0.01 1.09 0.46 0.22 1.06 0.00 0.00 176.91 179.76 3gvp h ASP 570 N 0.40 0.77 -0.59 1.22 1.82 -0.91 0.29 116.42 119.41 3gvp h ASP 570 Ca -0.00 -0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 3gvp h ASP 570 Cb 1.09 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.91 3gvp h ASP 570 CO 0.11 0.53 0.12 -0.33 -1.61 0.00 0.00 179.24 178.05 3gvp h GLU 571 N 0.91 1.00 -0.58 0.28 5.08 -0.97 -2.60 114.58 117.70 3gvp h GLU 571 Ca 0.29 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gvp h GLU 571 Cb 0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3gvp h GLU 571 CO -0.11 0.91 0.24 -0.92 -1.00 0.00 0.00 179.01 178.13 3gvp h TYR 572 N 0.95 0.87 -0.19 4.33 3.20 -0.62 0.27 116.97 125.76 3gvp h TYR 572 Ca 0.19 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3gvp h TYR 572 Cb 0.39 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 3gvp h TYR 572 CO 0.03 0.69 -0.34 0.28 -1.64 0.00 0.00 178.16 177.17 3gvp h VAL 573 N 0.79 0.24 -0.48 1.81 2.07 -0.73 -0.37 116.25 119.58 3gvp h VAL 573 Ca 0.19 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.76 3gvp h VAL 573 Cb 0.18 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 3gvp h VAL 573 CO -0.02 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.79 3gvp h ALA 574 N 0.43 0.60 -0.80 1.67 0.00 -1.16 -2.83 119.26 117.17 3gvp h ALA 574 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3gvp h ALA 574 Cb 0.56 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3gvp h ALA 574 CO -0.41 -0.15 0.41 1.03 0.00 0.00 0.00 179.25 180.13 3gvp h SER 575 N 0.43 1.02 0.34 0.00 0.87 -0.04 -2.13 113.55 114.03 3gvp h SER 575 Ca 0.22 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 3gvp h SER 575 Cb 0.17 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3gvp h SER 575 CO -0.18 0.85 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.71 3gvp h LEU 576 N 1.13 0.00 0.00 2.23 3.38 -0.83 -2.99 115.31 118.23 3gvp h LEU 576 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3gvp h LEU 576 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gvp h LEU 576 CO -0.04 0.18 -0.78 1.41 0.09 0.00 0.00 178.44 179.30 3gvp n HIS 577 N -3.90 0.12 -0.03 1.13 8.25 -0.84 -4.40 115.22 115.55 3gvp n HIS 577 Ca -0.02 0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3gvp n HIS 577 Cb 0.27 -0.28 0.42 0.00 1.12 0.00 0.00 29.99 31.53 3gvp n HIS 577 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3gvp h LEU 578 N 0.00 0.48 -2.51 2.41 3.38 -1.32 -2.39 115.31 115.36 3gvp h LEU 578 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gvp h LEU 578 Cb 0.59 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3gvp h LEU 578 CO 0.00 0.34 0.09 -0.65 0.09 0.00 0.00 178.44 178.31 3gvp h PRO 579 N 0.57 0.00 -0.31 1.13 0.11 -1.78 -0.71 132.00 131.00 3gvp h PRO 579 Ca 0.18 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.33 3gvp h PRO 579 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3gvp h PRO 579 CO -0.04 0.00 0.21 1.15 -0.21 0.00 0.00 178.00 179.11 3gvp h THR 580 N 0.00 0.98 -0.17 -1.15 2.02 -1.74 -2.50 112.91 110.34 3gvp h THR 580 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gvp h THR 580 Cb 0.21 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3gvp h THR 580 CO -0.00 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3gvp n PHE 581 N -4.49 0.20 -3.64 3.16 3.72 -0.30 -4.94 117.46 111.17 3gvp n PHE 581 Ca 0.03 -0.10 -0.27 0.00 -0.05 0.00 0.00 57.45 57.06 3gvp n PHE 581 Cb 0.20 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3gvp n PHE 581 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gvp n ASP 582 N 1.39 -4.65 -4.75 4.37 8.00 -0.94 -4.96 116.55 115.00 3gvp n ASP 582 Ca 0.16 -0.60 -0.40 0.00 0.71 0.00 0.00 54.79 54.66 3gvp n ASP 582 Cb 0.59 -3.76 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 3gvp n ASP 582 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvp s ALA 583 N -3.17 3.36 -0.38 2.24 0.00 -1.05 -5.03 121.76 117.72 3gvp s ALA 583 Ca 0.54 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3gvp s ALA 583 Cb -0.27 -3.11 0.09 0.00 0.00 0.00 0.00 23.12 19.82 3gvp s ALA 583 CO 0.67 0.16 0.15 -1.01 0.00 0.00 0.00 175.76 175.74 3gvp s HIS 584 N -0.73 3.48 0.28 0.00 3.76 -1.26 -4.71 115.29 116.11 3gvp s HIS 584 Ca 0.40 -2.18 -0.29 0.00 -0.15 0.00 0.00 55.06 52.84 3gvp s HIS 584 Cb -0.24 -2.90 -0.10 0.00 1.11 0.00 0.00 32.58 30.46 3gvp s HIS 584 CO 0.28 -0.91 1.24 -1.17 -0.85 0.00 0.00 174.74 173.33 3gvp s LEU 585 N 1.20 4.46 0.25 0.89 2.96 -1.26 -5.03 118.68 122.16 3gvp s LEU 585 Ca 0.04 2.48 -0.20 0.00 -0.22 0.00 0.00 54.13 56.23 3gvp s LEU 585 Cb -0.22 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 42.75 3gvp s LEU 585 CO -0.03 -0.41 0.76 -0.89 -1.32 0.00 0.00 176.35 174.47 3gvp s THR 586 N -0.83 4.52 -0.11 3.68 2.01 -1.26 -5.08 115.64 118.58 3gvp s THR 586 Ca 0.49 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.73 3gvp s THR 586 Cb -0.36 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3gvp s THR 586 CO 0.46 0.15 0.22 -1.61 -0.69 0.00 0.00 174.62 173.14 3gvp s GLU 587 N -2.12 3.72 0.29 4.92 2.02 -1.26 -5.08 118.70 121.20 3gvp s GLU 587 Ca 0.46 0.01 -0.30 0.00 0.02 0.00 0.00 54.97 55.16 3gvp s GLU 587 Cb -0.16 -3.25 -0.11 0.00 0.10 0.00 0.00 34.13 30.71 3gvp s GLU 587 CO 0.21 0.65 1.57 -0.51 0.02 0.00 0.00 175.26 177.19 3gvp s LEU 588 N -0.73 4.35 0.91 1.80 1.43 -1.26 -5.01 118.68 120.17 3gvp s LEU 588 Ca 0.16 2.92 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 3gvp s LEU 588 Cb -0.13 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.59 3gvp s LEU 588 CO 0.06 -0.88 1.10 0.42 0.23 0.00 0.00 176.35 177.27 3gvp s THR 589 N -0.07 2.50 0.22 5.49 -4.23 -1.26 -4.84 115.64 113.44 3gvp s THR 589 Ca 0.62 0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 3gvp s THR 589 Cb -0.47 -2.73 0.16 0.00 1.34 0.00 0.00 72.50 70.80 3gvp s THR 589 CO 0.48 -0.21 1.84 -0.78 -0.54 0.00 0.00 174.62 175.41 3gvp h ASP 590 N -1.55 0.72 -0.26 3.99 3.58 -1.99 -1.00 116.42 119.91 3gvp h ASP 590 Ca -0.50 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 56.83 3gvp h ASP 590 Cb 1.30 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 3gvp h ASP 590 CO 0.57 0.48 -0.29 -0.08 -2.88 0.00 0.00 179.24 177.05 3gvp h GLU 591 N 0.86 0.76 -0.55 0.28 4.57 -1.99 -2.24 114.58 116.26 3gvp h GLU 591 Ca 0.31 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 3gvp h GLU 591 Cb 0.09 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3gvp h GLU 591 CO -0.14 0.95 0.01 1.96 -1.18 0.00 0.00 179.01 180.61 3gvp h GLN 592 N 0.65 0.93 -0.44 1.92 4.20 -1.83 0.12 115.11 120.67 3gvp h GLN 592 Ca 0.08 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3gvp h GLN 592 Cb 0.81 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3gvp h GLN 592 CO 0.07 0.92 0.28 0.00 -0.67 0.00 0.00 178.83 179.43 3gvp h ALA 593 N 1.14 0.56 -0.47 3.87 0.00 -1.08 -1.08 119.26 122.20 3gvp h ALA 593 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gvp h ALA 593 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gvp h ALA 593 CO 0.02 0.03 0.18 0.87 0.00 0.00 0.00 179.25 180.36 3gvp h LYS 594 N 0.59 0.70 -0.28 0.00 1.57 -1.22 0.11 116.57 118.04 3gvp h LYS 594 Ca 0.16 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3gvp h LYS 594 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3gvp h LYS 594 CO -0.03 0.64 0.12 -0.92 -0.57 0.00 0.00 179.45 178.69 3gvp h TYR 595 N 0.62 0.23 0.00 -1.35 3.20 -0.46 -2.84 116.97 116.37 3gvp h TYR 595 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3gvp h TYR 595 Cb 0.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3gvp h TYR 595 CO 0.00 0.12 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.32 3gvp h LEU 596 N 0.27 0.00 -1.35 2.82 3.38 -1.17 -3.48 115.31 115.77 3gvp h LEU 596 Ca 0.12 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3gvp h LEU 596 Cb 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.86 3gvp h LEU 596 CO -0.10 0.02 -0.26 0.61 0.09 0.00 0.00 178.44 178.81 3gvp n GLY 597 N 1.24 0.30 3.12 0.83 0.00 0.27 -5.06 105.19 105.89 3gvp n GLY 597 Ca 0.04 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 3gvp n GLY 597 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvp s LEU 598 N -3.40 2.12 0.54 0.99 1.43 -0.50 -5.04 118.68 114.81 3gvp s LEU 598 Ca 0.12 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 3gvp s LEU 598 Cb -0.05 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 3gvp s LEU 598 CO 0.26 0.07 1.24 0.20 0.23 0.00 0.00 176.35 178.35 3gvp s ASN 599 N -0.82 5.48 0.30 2.29 -0.87 -1.26 -4.45 114.94 115.61 3gvp s ASN 599 Ca 0.03 2.47 0.02 0.00 -1.57 0.00 0.00 52.86 53.81 3gvp s ASN 599 Cb -0.07 -2.61 0.58 0.00 -0.02 0.00 0.00 41.25 39.14 3gvp s ASN 599 CO 0.01 -1.40 1.88 0.50 -2.57 0.00 0.00 177.10 175.52 3gvp h LYS 600 N 1.37 0.94 -0.62 -0.60 3.64 -1.94 -1.91 116.57 117.44 3gvp h LYS 600 Ca -0.50 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3gvp h LYS 600 Cb 1.28 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3gvp h LYS 600 CO 0.57 0.62 0.00 0.09 -2.27 0.00 0.00 179.45 178.46 3gvp n ASN 601 N -4.54 3.65 0.00 4.20 3.02 -1.26 -4.70 115.26 115.62 3gvp n ASN 601 Ca 0.16 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 3gvp n ASN 601 Cb 0.29 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3gvp n ASN 601 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvp n GLY 602 N 0.84 -2.79 3.76 7.41 0.00 -0.72 -4.90 105.19 108.80 3gvp n GLY 602 Ca 0.19 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 3gvp n GLY 602 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gvp s PRO 603 N -0.75 3.62 0.19 1.61 0.04 -1.26 -4.45 135.00 134.00 3gvp s PRO 603 Ca 0.00 1.98 0.23 0.00 0.04 0.00 0.00 61.00 63.25 3gvp s PRO 603 Cb 0.00 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 32.21 3gvp s PRO 603 CO 0.00 -0.72 1.14 0.74 0.04 0.00 0.00 177.00 178.20 3gvp h PHE 604 N 2.01 0.00 -3.26 0.56 0.04 -1.90 -3.42 116.94 110.96 3gvp h PHE 604 Ca -0.50 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.17 3gvp h PHE 604 Cb 1.26 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 39.23 3gvp h PHE 604 CO 0.51 0.00 -0.29 0.15 -0.60 0.00 0.00 178.31 178.08 3gvp s LYS 605 N -3.30 0.73 0.63 1.51 1.02 -1.26 -5.07 119.74 114.00 3gvp s LYS 605 Ca 0.02 -0.42 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 3gvp s LYS 605 Cb 0.10 0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 37.71 3gvp s LYS 605 CO 0.77 -0.22 1.05 -1.25 -0.92 0.00 0.00 175.35 174.78 3gvp s PRO 606 N -2.12 3.23 0.00 -1.68 0.04 -1.26 -4.99 135.00 128.23 3gvp s PRO 606 Ca -0.08 1.04 0.18 0.00 0.04 0.00 0.00 61.00 62.17 3gvp s PRO 606 Cb -0.03 -2.03 1.04 0.00 0.04 0.00 0.00 34.50 33.53 3gvp s PRO 606 CO -0.01 -0.87 1.45 0.09 0.04 0.00 0.00 177.00 177.70