#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n9l s LYS 193 N 0.00 1.64 0.18 -0.52 2.20 -1.26 -5.05 119.74 116.93 3n9l s LYS 193 Ca 0.00 -0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.11 3n9l s LYS 193 Cb 0.00 -1.43 0.15 0.00 -1.51 0.00 0.00 37.83 35.04 3n9l s LYS 193 CO 0.00 -0.04 1.74 0.93 -0.36 0.00 0.00 175.35 177.62 3n9l h GLU 194 N 7.24 0.32 -0.99 4.03 4.39 -2.05 -1.99 114.58 125.53 3n9l h GLU 194 Ca -0.31 -0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.58 3n9l h GLU 194 Cb 1.17 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.64 3n9l h GLU 194 CO 0.46 0.21 0.58 0.66 -1.16 0.00 0.00 179.01 179.76 3n9l h SER 195 N 0.33 0.70 -0.01 1.42 4.64 -2.01 0.29 113.55 118.92 3n9l h SER 195 Ca 0.23 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3n9l h SER 195 Cb 0.24 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3n9l h SER 195 CO -0.24 0.19 0.01 0.47 -0.87 0.00 0.00 176.83 176.39 3n9l n ASP 196 N -4.84 3.97 -4.04 4.97 8.00 -0.75 -4.37 116.55 119.51 3n9l n ASP 196 Ca 0.24 -2.18 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 3n9l n ASP 196 Cb 0.64 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 3n9l n ASP 196 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3n9l s ARG 197 N -0.03 2.19 0.61 -1.24 3.52 0.09 -4.79 118.95 119.30 3n9l s ARG 197 Ca 0.00 -1.09 -0.19 0.00 -0.13 0.00 0.00 55.73 54.33 3n9l s ARG 197 Cb 0.00 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.69 3n9l s ARG 197 CO 0.00 -0.49 1.21 0.00 -0.81 0.00 0.00 175.30 175.21 3n9l n GLY 199 N 1.00 -0.71 0.00 0.00 0.00 -1.26 -0.02 105.19 104.20 3n9l n GLY 199 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3n9l n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9l n GLY 200 N 0.00 -1.46 4.41 -0.02 0.00 -1.26 -4.84 105.19 102.02 3n9l n GLY 200 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3n9l n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9l n GLY 202 N -0.04 0.00 3.10 0.00 0.00 -0.99 -4.80 105.19 102.46 3n9l n GLY 202 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3n9l n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n9l s LYS 203 N -2.20 0.63 0.25 1.61 1.02 0.96 -4.82 119.74 117.19 3n9l s LYS 203 Ca 0.00 -1.17 0.17 0.00 0.02 0.00 0.00 55.97 54.99 3n9l s LYS 203 Cb 0.00 0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.44 3n9l s LYS 203 CO 0.00 -0.08 1.33 0.74 -0.92 0.00 0.00 175.35 176.42 3n9l h PHE 204 N 3.31 0.00 -3.36 3.18 0.04 -1.87 -2.97 116.94 115.28 3n9l h PHE 204 Ca -0.34 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.06 3n9l h PHE 204 Cb 1.16 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.93 3n9l h PHE 204 CO 0.56 0.43 -0.74 0.99 -0.60 0.00 0.00 178.31 178.95 3n9l s THR 205 N -3.00 0.03 0.75 -1.55 2.01 -1.26 -4.89 115.64 107.72 3n9l s THR 205 Ca 0.03 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 3n9l s THR 205 Cb 0.08 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.38 3n9l s THR 205 CO 0.75 0.18 1.07 1.57 -0.69 0.00 0.00 174.62 177.50 3n9l n HIS 206 N 4.95 0.98 0.32 4.92 -0.00 -1.26 -4.81 115.22 120.32 3n9l n HIS 206 Ca -0.11 0.40 0.13 0.00 0.46 0.00 0.00 57.72 58.60 3n9l n HIS 206 Cb 0.50 -2.11 0.68 0.00 -0.12 0.00 0.00 29.99 28.94 3n9l n HIS 206 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3n9l h GLU 207 N -0.40 0.00 0.00 1.57 4.11 -1.99 -3.53 114.58 114.34 3n9l h GLU 207 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3n9l h GLU 207 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3n9l h GLU 207 CO 0.47 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.30 3n9l n ASP 208 N -2.78 0.00 -4.50 3.06 8.00 -1.26 -5.20 116.55 113.87 3n9l n ASP 208 Ca -0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 3n9l n ASP 208 Cb 0.46 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 3n9l n ASP 208 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3n9l s LYS 236 N 3.45 3.21 0.53 -1.24 -2.85 -1.26 -5.08 119.74 116.50 3n9l s LYS 236 Ca 0.00 -0.53 0.31 0.00 -1.00 0.00 0.00 55.97 54.75 3n9l s LYS 236 Cb 0.00 -3.95 1.36 0.00 -2.06 0.00 0.00 37.83 33.18 3n9l s LYS 236 CO 0.00 -0.93 1.99 -0.97 0.10 0.00 0.00 175.35 175.54 3n9l h ASN 237 N 8.80 0.00 0.00 0.03 -0.00 -2.00 -3.49 115.58 118.92 3n9l h ASN 237 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.04 3n9l h ASN 237 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 3n9l h ASN 237 CO 0.85 0.08 0.00 -0.67 -0.00 0.00 0.00 177.43 177.69 3n9l n ASP 238 N -3.27 0.00 -3.47 1.15 2.03 -1.26 -3.34 116.55 108.39 3n9l n ASP 238 Ca -0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.04 3n9l n ASP 238 Cb 0.31 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.62 3n9l n ASP 238 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3n9l n PHE 239 N 10.86 1.83 -4.26 -0.67 3.72 -1.26 -4.91 117.46 122.77 3n9l n PHE 239 Ca 0.00 -3.91 -0.18 0.00 -0.05 0.00 0.00 57.45 53.31 3n9l n PHE 239 Cb 0.00 -0.39 -0.15 0.00 -0.94 0.00 0.00 39.48 38.00 3n9l n PHE 239 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3n9l s GLN 240 N -1.53 0.63 0.43 -1.08 -0.21 -1.21 -5.10 119.66 111.58 3n9l s GLN 240 Ca 0.34 -0.24 0.05 0.00 0.02 0.00 0.00 55.36 55.54 3n9l s GLN 240 Cb 0.09 -0.61 -0.06 0.00 1.00 0.00 0.00 33.01 33.43 3n9l s GLN 240 CO -0.10 0.12 0.01 -1.58 -2.12 0.00 0.00 175.29 171.62 3n9l s TRP 241 N -0.01 2.28 -0.07 0.91 0.52 -1.26 -0.82 118.94 120.50 3n9l s TRP 241 Ca 0.01 -0.79 -0.06 0.00 0.02 0.00 0.00 56.10 55.28 3n9l s TRP 241 Cb -0.05 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.61 3n9l s TRP 241 CO -0.00 0.34 0.17 -1.50 0.02 0.00 0.00 176.95 175.98 3n9l s ILE 242 N -2.81 -0.00 0.05 2.03 2.07 0.16 -4.74 121.20 117.96 3n9l s ILE 242 Ca 0.26 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.44 3n9l s ILE 242 Cb 0.07 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.36 3n9l s ILE 242 CO 0.13 0.00 0.33 -0.83 -1.91 0.00 0.00 174.94 172.67 3n9l s GLY 243 N 0.16 2.29 -0.26 1.50 0.00 -1.26 -1.25 107.32 108.50 3n9l s GLY 243 Ca -0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 44.72 44.01 3n9l s GLY 243 CO -0.00 -0.29 0.69 0.00 0.00 0.00 0.00 173.10 173.50 3n9l n ASP 245 N 5.85 2.24 0.03 0.00 10.43 0.48 -1.14 116.55 134.45 3n9l n ASP 245 Ca 0.01 -1.65 0.00 0.00 2.57 0.00 0.00 54.79 55.73 3n9l n ASP 245 Cb 0.48 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 43.03 3n9l n ASP 245 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 3n9l n SER 246 N 0.52 0.05 0.12 -2.24 2.88 -1.26 -4.91 113.62 108.78 3n9l n SER 246 Ca 0.00 0.11 0.12 0.00 -1.33 0.00 0.00 58.87 57.77 3n9l n SER 246 Cb 0.38 0.06 0.13 0.00 -0.75 0.00 0.00 64.21 64.03 3n9l n SER 246 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3n9l n GLN 248 N -2.61 -0.21 -3.12 0.00 1.13 -0.29 -5.02 117.38 107.26 3n9l n GLN 248 Ca 0.02 0.05 -0.38 0.00 -1.94 0.00 0.00 57.00 54.76 3n9l n GLN 248 Cb 0.50 -3.16 -0.06 0.00 0.11 0.00 0.00 30.24 27.64 3n9l n GLN 248 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3n9l s THR 249 N -2.31 4.57 0.33 5.09 -4.23 -1.26 -4.63 115.64 113.20 3n9l s THR 249 Ca 0.00 1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.71 3n9l s THR 249 Cb 0.00 -3.94 -0.09 0.00 1.34 0.00 0.00 72.50 69.81 3n9l s THR 249 CO 0.00 0.38 0.77 0.26 -0.54 0.00 0.00 174.62 175.49 3n9l s TRP 250 N -1.32 3.39 -0.03 3.99 0.52 -1.26 -2.78 118.94 121.45 3n9l s TRP 250 Ca 0.37 1.30 0.02 0.00 0.02 0.00 0.00 56.10 57.81 3n9l s TRP 250 Cb -0.19 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.54 3n9l s TRP 250 CO 0.22 0.08 -0.07 0.71 0.02 0.00 0.00 176.95 177.91 3n9l s TYR 251 N -1.97 0.80 0.35 -1.98 2.02 -0.38 -3.87 117.35 112.30 3n9l s TYR 251 Ca 0.54 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.76 3n9l s TYR 251 Cb -0.11 -0.59 -0.12 0.00 -0.40 0.00 0.00 41.96 40.74 3n9l s TYR 251 CO 0.17 -0.10 1.48 0.72 -1.57 0.00 0.00 175.55 176.25 3n9l n HIS 252 N 3.39 2.81 -0.32 2.71 8.25 -1.26 0.40 115.22 131.20 3n9l n HIS 252 Ca -0.19 0.42 0.17 0.00 -0.26 0.00 0.00 57.72 57.86 3n9l n HIS 252 Cb 0.54 -2.53 0.37 0.00 1.12 0.00 0.00 29.99 29.49 3n9l n HIS 252 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3n9l h PHE 253 N 3.38 0.79 0.00 4.41 -1.00 -1.27 0.72 116.94 123.97 3n9l h PHE 253 Ca -0.49 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.33 3n9l h PHE 253 Cb 1.25 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.61 3n9l h PHE 253 CO 0.54 -0.06 0.00 1.28 -1.61 0.00 0.00 178.31 178.46 3n9l n LEU 254 N -5.02 0.00 0.00 1.54 4.77 -1.26 -2.58 117.00 114.45 3n9l n LEU 254 Ca 0.26 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3n9l n LEU 254 Cb 0.76 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3n9l n LEU 254 CO 0.12 -0.02 0.37 0.00 -1.33 0.00 0.00 177.39 176.53 3n9l h SER 256 N 0.00 0.00 0.00 0.00 4.64 -1.17 -3.43 113.55 113.59 3n9l h SER 256 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3n9l h SER 256 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3n9l h SER 256 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3n9l n GLY 257 N 1.24 0.82 3.85 -0.77 0.00 -1.26 -4.55 105.19 104.52 3n9l n GLY 257 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3n9l n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n9l s LEU 258 N 0.00 4.12 0.39 0.99 1.43 -1.26 -5.09 118.68 119.25 3n9l s LEU 258 Ca 0.00 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 3n9l s LEU 258 Cb 0.00 -3.95 -0.01 0.00 0.03 0.00 0.00 46.19 42.26 3n9l s LEU 258 CO 0.00 -0.15 0.57 -1.61 0.23 0.00 0.00 176.35 175.39 3n9l s GLU 259 N -2.82 3.16 0.42 1.70 2.02 -1.26 -4.84 118.70 117.08 3n9l s GLU 259 Ca 0.52 -0.65 0.16 0.00 0.02 0.00 0.00 54.97 55.02 3n9l s GLU 259 Cb -0.11 -2.68 1.06 0.00 0.10 0.00 0.00 34.13 32.50 3n9l s GLU 259 CO 0.18 -0.07 1.89 0.37 0.02 0.00 0.00 175.26 177.66 3n9l h GLN 260 N 0.65 0.41 0.00 1.61 4.15 -1.97 -1.07 115.11 118.89 3n9l h GLN 260 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3n9l h GLN 260 Cb 1.25 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3n9l h GLN 260 CO 0.57 0.27 0.00 1.97 -1.93 0.00 0.00 178.83 179.71 3n9l n PHE 261 N -4.49 0.41 0.99 3.99 1.16 -1.17 -2.36 117.46 116.00 3n9l n PHE 261 Ca 0.16 0.17 0.11 0.00 -1.87 0.00 0.00 57.45 56.02 3n9l n PHE 261 Cb 0.60 -0.77 -0.00 0.00 -1.61 0.00 0.00 39.48 37.70 3n9l n PHE 261 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3n9l n GLU 262 N -1.88 0.01 0.19 3.97 1.02 -0.40 -4.56 120.64 118.98 3n9l n GLU 262 Ca 0.02 -0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.34 3n9l n GLU 262 Cb 0.18 -1.50 0.78 0.00 -0.02 0.00 0.00 31.44 30.88 3n9l n GLU 262 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3n9l h TYR 263 N 0.00 0.00 -0.05 -0.32 0.05 -1.56 -1.61 116.97 113.48 3n9l h TYR 263 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3n9l h TYR 263 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 3n9l h TYR 263 CO 0.00 0.00 0.00 2.48 -1.05 0.00 0.00 178.16 179.59 3n9l n TYR 264 N -3.42 0.06 0.04 4.88 0.18 -1.26 -4.74 117.16 112.90 3n9l n TYR 264 Ca 0.03 -0.23 -0.08 0.00 1.88 0.00 0.00 57.90 59.51 3n9l n TYR 264 Cb 0.50 -0.02 -0.13 0.00 -0.38 0.00 0.00 39.34 39.32 3n9l n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3n9l h LEU 265 N 0.63 0.01 -9.04 -3.48 3.38 -1.57 -3.47 115.31 101.76 3n9l h LEU 265 Ca 0.00 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.34 3n9l h LEU 265 Cb 0.33 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.92 3n9l h LEU 265 CO 0.00 1.01 -0.53 -0.31 0.09 0.00 0.00 178.44 178.70 3n9l s TYR 266 N -2.68 3.28 0.10 1.13 2.02 -1.26 -1.81 117.35 118.14 3n9l s TYR 266 Ca -0.01 0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.70 3n9l s TYR 266 Cb 0.09 -2.23 -0.16 0.00 -0.40 0.00 0.00 41.96 39.27 3n9l s TYR 266 CO 0.82 0.04 1.29 1.49 -1.57 0.00 0.00 175.55 177.62 3n9l h GLU 267 N 7.43 0.75 -4.25 -0.62 4.81 -0.63 -3.42 114.58 118.65 3n9l h GLU 267 Ca -0.38 -0.65 -0.57 0.00 -0.13 0.00 0.00 59.36 57.63 3n9l h GLU 267 Cb 1.17 0.15 -0.38 0.00 0.63 0.00 0.00 28.75 30.32 3n9l h GLU 267 CO 0.66 1.25 -0.79 0.15 -0.73 0.00 0.00 179.01 179.55 3n9l s LYS 268 N -3.64 1.56 -0.17 1.92 1.02 -0.90 -5.02 119.74 114.50 3n9l s LYS 268 Ca -0.10 -0.65 -0.15 0.00 0.02 0.00 0.00 55.97 55.09 3n9l s LYS 268 Cb 0.08 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3n9l s LYS 268 CO 0.91 -0.46 0.37 0.12 -0.92 0.00 0.00 175.35 175.36 3n9l s PHE 269 N 1.56 3.42 -0.25 3.18 2.19 -1.26 -2.00 117.98 124.82 3n9l s PHE 269 Ca -0.01 0.64 -0.02 0.00 0.33 0.00 0.00 56.93 57.88 3n9l s PHE 269 Cb -0.16 -2.46 0.03 0.00 -1.31 0.00 0.00 43.02 39.12 3n9l s PHE 269 CO -0.08 0.11 -0.05 -0.06 1.83 0.00 0.00 175.22 176.97 3n9l s PHE 270 N 0.89 3.08 0.75 10.12 0.08 -1.26 -0.38 117.98 131.27 3n9l s PHE 270 Ca 0.19 -1.57 -0.14 0.00 0.12 0.00 0.00 56.93 55.53 3n9l s PHE 270 Cb -0.14 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3n9l s PHE 270 CO 0.07 -0.73 1.17 0.00 -0.10 0.00 0.00 175.22 175.62 3n9l h PRO 272 N -0.60 0.42 -0.03 0.00 0.11 -1.97 0.34 132.00 130.27 3n9l h PRO 272 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3n9l h PRO 272 Cb 1.28 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3n9l h PRO 272 CO 0.49 0.28 0.08 0.87 -0.21 0.00 0.00 178.00 179.51 3n9l h LYS 273 N 0.43 0.00 -0.00 1.05 6.56 -1.97 -3.09 116.57 119.55 3n9l h LYS 273 Ca 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.26 3n9l h LYS 273 Cb 1.51 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.17 3n9l h LYS 273 CO -0.46 0.00 -0.14 0.00 -2.06 0.00 0.00 179.45 176.79 3n9l h VAL 275 N 0.40 1.28 0.00 0.00 2.07 -1.38 -1.21 116.25 117.41 3n9l h VAL 275 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3n9l h VAL 275 Cb 0.16 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3n9l h VAL 275 CO 0.00 0.41 0.00 -0.65 0.02 0.00 0.00 177.57 177.35 3n9l h PRO 276 N 0.57 0.00 -0.03 1.57 0.11 -1.86 0.30 132.00 132.65 3n9l h PRO 276 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3n9l h PRO 276 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3n9l h PRO 276 CO 0.04 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.44 3n9l n HIS 277 N -2.73 0.04 -0.03 0.65 1.44 -1.14 -4.63 115.22 108.83 3n9l n HIS 277 Ca -0.01 -0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.43 3n9l n HIS 277 Cb 0.15 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.24 3n9l n HIS 277 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 3n9l n THR 278 N -0.12 0.00 0.00 0.61 5.66 -0.47 -5.13 114.28 114.83 3n9l n THR 278 Ca 0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3n9l n THR 278 Cb 0.17 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 3n9l n THR 278 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3n9l n GLY 279 N 0.40 -1.34 3.44 1.09 0.00 0.10 -4.97 105.19 103.92 3n9l n GLY 279 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3n9l n GLY 279 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n9l s HIS 280 N -1.83 0.90 0.33 1.61 3.76 -1.26 -4.61 115.29 114.18 3n9l s HIS 280 Ca 0.00 1.01 -0.27 0.00 -0.15 0.00 0.00 55.06 55.65 3n9l s HIS 280 Cb 0.00 -3.05 -0.09 0.00 1.11 0.00 0.00 32.58 30.55 3n9l s HIS 280 CO 0.00 -4.18 1.04 -1.12 -0.85 0.00 0.00 174.74 169.63 3n9l s SER 281 N -2.68 7.10 -0.22 1.40 0.01 -1.26 -4.86 113.70 113.19 3n9l s SER 281 Ca 0.69 2.09 -0.18 0.00 1.31 0.00 0.00 55.95 59.86 3n9l s SER 281 Cb -0.22 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.37 3n9l s SER 281 CO 0.63 -0.25 0.50 -0.63 0.41 0.00 0.00 173.24 173.91 3n9l s ILE 282 N -1.42 5.10 0.08 1.44 1.09 -0.84 -4.99 121.20 121.66 3n9l s ILE 282 Ca 0.50 0.90 -0.10 0.00 -1.10 0.00 0.00 60.65 60.85 3n9l s ILE 282 Cb -0.26 -3.82 -0.06 0.00 -1.06 0.00 0.00 42.46 37.26 3n9l s ILE 282 CO 0.33 0.16 0.41 0.00 -0.10 0.00 0.00 174.94 175.74 3n9l s ARG 283 N 1.81 3.78 0.30 2.79 1.70 -1.26 0.09 118.95 128.15 3n9l s ARG 283 Ca 0.23 0.20 -0.26 0.00 -0.47 0.00 0.00 55.73 55.43 3n9l s ARG 283 Cb -0.15 -2.99 -0.15 0.00 -0.57 0.00 0.00 34.95 31.09 3n9l s ARG 283 CO 0.09 0.55 0.63 0.66 -1.08 0.00 0.00 175.30 176.15 3n9l n TYR 284 N 0.89 -0.12 -2.23 5.89 4.01 -0.75 -4.71 117.16 120.14 3n9l n TYR 284 Ca -0.08 0.77 -0.41 0.00 -0.16 0.00 0.00 57.90 58.03 3n9l n TYR 284 Cb 0.52 -2.03 -0.03 0.00 -0.31 0.00 0.00 39.34 37.49 3n9l n TYR 284 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3n9l s LYS 285 N -1.30 4.44 -0.72 -0.72 3.01 -1.26 -4.92 119.74 118.26 3n9l s LYS 285 Ca 0.62 2.07 -0.26 0.00 -1.01 0.00 0.00 55.97 57.39 3n9l s LYS 285 Cb -0.76 -3.13 -0.01 0.00 -1.01 0.00 0.00 37.83 32.92 3n9l s LYS 285 CO 0.58 -0.10 1.73 0.08 0.51 0.00 0.00 175.35 178.15 3n9l s VAL 286 N -0.82 3.48 -0.17 3.17 1.01 -1.26 -4.58 120.40 121.23 3n9l s VAL 286 Ca 0.50 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.64 3n9l s VAL 286 Cb -0.37 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 31.56 3n9l s VAL 286 CO 0.46 -1.18 0.15 0.52 0.00 0.00 0.00 175.10 175.05 3n9l n VAL 287 N 7.15 1.51 -3.35 2.92 0.31 -0.05 -4.72 118.33 122.10 3n9l n VAL 287 Ca 0.22 -0.75 -0.26 0.00 -0.01 0.00 0.00 64.34 63.54 3n9l n VAL 287 Cb 0.50 -0.97 -0.09 0.00 -0.91 0.00 0.00 33.84 32.37 3n9l n VAL 287 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n9l n ALA 288 N -2.87 2.89 0.27 3.52 0.00 0.61 -4.87 120.51 120.06 3n9l n ALA 288 Ca -0.33 -3.62 0.03 0.00 0.00 0.00 0.00 53.44 49.52 3n9l n ALA 288 Cb 1.08 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 19.85 3n9l n ALA 288 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3n9l n PRO 289 N 1.81 0.08 -0.54 0.00 -0.04 -1.26 -0.73 135.00 134.33 3n9l n PRO 289 Ca 0.25 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 3n9l n PRO 289 Cb 0.48 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.79 3n9l n PRO 289 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3n9l n HIS 290 N -1.27 1.32 -4.23 0.54 1.44 -1.26 -1.64 115.22 110.12 3n9l n HIS 290 Ca 0.03 -0.58 -0.17 0.00 -2.01 0.00 0.00 57.72 54.99 3n9l n HIS 290 Cb 0.04 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 29.88 3n9l n HIS 290 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3n9l s ARG 291 N -1.58 1.01 0.12 -1.40 1.81 0.09 -1.41 118.95 117.59 3n9l s ARG 291 Ca 0.51 -1.25 -0.15 0.00 -1.72 0.00 0.00 55.73 53.12 3n9l s ARG 291 Cb 0.31 -0.83 -0.02 0.00 -0.45 0.00 0.00 34.95 33.96 3n9l s ARG 291 CO 0.27 0.15 1.57 1.88 -0.68 0.00 0.00 175.30 178.50 3n9l h TYR 292 N 3.44 0.77 -0.38 -0.53 0.99 -1.84 -2.81 116.97 116.60 3n9l h TYR 292 Ca -0.39 -0.13 -0.70 0.00 2.00 0.00 0.00 58.73 59.50 3n9l h TYR 292 Cb 1.20 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 38.69 3n9l h TYR 292 CO 0.65 0.78 3.22 0.54 -0.00 0.00 0.00 178.16 183.34 3n9l n ARG 293 N -4.45 3.69 0.00 4.88 1.74 -1.26 -4.50 116.66 116.75 3n9l n ARG 293 Ca -0.01 -2.69 0.01 0.00 -0.77 0.00 0.00 57.85 54.40 3n9l n ARG 293 Cb 0.28 -2.89 0.07 0.00 -1.02 0.00 0.00 32.46 28.90 3n9l n ARG 293 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3n9l n TRP 294 N 3.81 0.00 -0.03 -1.55 4.27 -1.06 -1.61 117.44 121.27 3n9l n TRP 294 Ca 0.65 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 54.32 3n9l n TRP 294 Cb 0.28 -0.38 -0.16 0.00 -1.36 0.00 0.00 31.31 29.70 3n9l n TRP 294 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 3n9l n TYR 295 N -1.38 0.00 -2.65 -2.67 0.18 -1.26 -0.28 117.16 109.10 3n9l n TYR 295 Ca 0.01 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.36 3n9l n TYR 295 Cb 0.03 -0.57 -0.02 0.00 -0.38 0.00 0.00 39.34 38.39 3n9l n TYR 295 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3n9l s SER 296 N -4.58 6.61 0.62 9.48 0.15 -0.63 -4.67 113.70 120.68 3n9l s SER 296 Ca -0.08 0.40 0.41 0.00 0.70 0.00 0.00 55.95 57.38 3n9l s SER 296 Cb 0.12 -2.53 2.23 0.00 -1.71 0.00 0.00 66.02 64.12 3n9l s SER 296 CO 0.84 -1.20 2.25 -0.65 1.20 0.00 0.00 173.24 175.68 3n9l h PRO 297 N 9.17 0.00 0.00 5.44 0.11 -1.90 -1.82 132.00 143.00 3n9l h PRO 297 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3n9l h PRO 297 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3n9l h PRO 297 CO 1.11 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.99 3n9l h ASN 298 N 0.00 0.00 -0.47 -2.05 4.21 -1.94 -3.04 115.58 112.29 3n9l h ASN 298 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3n9l h ASN 298 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3n9l h ASN 298 CO 0.00 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.52 3n9l n GLU 299 N -2.63 2.52 -0.23 0.81 1.02 -0.68 -4.52 120.64 116.92 3n9l n GLU 299 Ca 0.01 -2.27 0.04 0.00 -0.02 0.00 0.00 57.16 54.93 3n9l n GLU 299 Cb 0.27 -1.44 0.16 0.00 -0.02 0.00 0.00 31.44 30.40 3n9l n GLU 299 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3n9l h LYS 300 N 3.57 0.33 0.00 3.49 1.57 -1.68 -2.17 116.57 121.69 3n9l h LYS 300 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3n9l h LYS 300 Cb 0.88 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3n9l h LYS 300 CO 0.00 0.22 -0.19 -2.39 -0.57 0.00 0.00 179.45 176.52 3n9l n HIS 301 N -5.08 0.54 -1.31 -1.35 1.44 -1.26 -4.88 115.22 103.32 3n9l n HIS 301 Ca 0.12 0.16 -0.29 0.00 -2.01 0.00 0.00 57.72 55.70 3n9l n HIS 301 Cb 0.39 -0.71 0.16 0.00 0.12 0.00 0.00 29.99 29.95 3n9l n HIS 301 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3n9l s LEU 302 N -3.96 1.77 0.93 2.39 1.43 -0.82 -5.03 118.68 115.40 3n9l s LEU 302 Ca 0.10 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.19 3n9l s LEU 302 Cb 0.15 -3.36 0.15 0.00 0.03 0.00 0.00 46.19 43.16 3n9l s LEU 302 CO 0.62 -2.90 1.13 -0.83 0.23 0.00 0.00 176.35 174.60 3n9l s GLY 303 N -3.67 1.58 -0.06 -3.19 0.00 -1.26 -5.00 107.32 95.72 3n9l s GLY 303 Ca 0.65 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 3n9l s GLY 303 CO 0.56 0.05 1.07 -0.42 0.00 0.00 0.00 173.10 174.36 3n9l s ILE 304 N -3.24 4.60 -0.14 0.90 1.01 -1.26 -4.74 121.20 118.35 3n9l s ILE 304 Ca 0.64 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 63.11 3n9l s ILE 304 Cb -0.15 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3n9l s ILE 304 CO 0.54 0.04 0.12 -1.61 0.00 0.00 0.00 174.94 174.03 3n9l s GLU 305 N 1.79 3.56 -0.23 2.79 2.02 -0.50 -4.26 118.70 123.87 3n9l s GLU 305 Ca 0.52 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.03 3n9l s GLU 305 Cb -0.21 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 30.84 3n9l s GLU 305 CO 0.22 0.65 1.01 0.08 0.02 0.00 0.00 175.26 177.23 3n9l s VAL 306 N -0.66 4.71 -0.46 2.63 1.01 -0.87 0.44 120.40 127.19 3n9l s VAL 306 Ca 0.13 1.95 0.03 0.00 0.00 0.00 0.00 61.98 64.09 3n9l s VAL 306 Cb -0.12 -4.28 0.13 0.00 0.00 0.00 0.00 36.38 32.11 3n9l s VAL 306 CO 0.02 -0.16 0.23 -0.83 0.00 0.00 0.00 175.10 174.36 3n9l s GLY 307 N 1.22 1.97 1.11 4.51 0.00 -1.26 -4.96 107.32 109.91 3n9l s GLY 307 Ca 0.43 -2.82 -0.15 0.00 0.00 0.00 0.00 44.72 42.17 3n9l s GLY 307 CO 0.06 1.31 1.09 -1.35 0.00 0.00 0.00 173.10 174.21 3n9l s SER 308 N 0.18 1.64 0.19 1.64 1.04 0.17 -4.50 113.70 114.06 3n9l s SER 308 Ca 0.17 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 3n9l s SER 308 Cb -0.25 -1.47 0.21 0.00 0.10 0.00 0.00 66.02 64.61 3n9l s SER 308 CO -0.01 -3.72 1.75 0.50 0.98 0.00 0.00 173.24 172.75 3n9l h LYS 309 N -2.30 0.39 -0.51 4.02 3.64 -1.69 -0.24 116.57 119.87 3n9l h LYS 309 Ca -0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3n9l h LYS 309 Cb 1.32 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3n9l h LYS 309 CO 0.47 0.26 0.33 1.15 -2.27 0.00 0.00 179.45 179.39 3n9l h THR 310 N 0.40 1.14 -0.26 1.00 2.02 -1.67 -2.08 112.91 113.46 3n9l h THR 310 Ca 0.26 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3n9l h THR 310 Cb 0.29 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3n9l h THR 310 CO -0.26 0.14 0.08 -0.25 0.37 0.00 0.00 175.52 175.61 3n9l h TRP 311 N 0.69 0.41 -0.21 3.16 7.01 -1.57 -2.77 115.95 122.68 3n9l h TRP 311 Ca 0.19 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3n9l h TRP 311 Cb -0.05 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3n9l h TRP 311 CO -0.03 0.45 0.07 0.82 -2.79 0.00 0.00 178.44 176.96 3n9l h ILE 312 N 0.25 1.18 -0.10 2.65 2.04 -0.94 0.17 117.51 122.76 3n9l h ILE 312 Ca 0.08 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3n9l h ILE 312 Cb 0.23 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3n9l h ILE 312 CO -0.00 0.18 -0.29 -0.33 0.00 0.00 0.00 178.15 177.71 3n9l h GLU 313 N 0.17 -0.28 -0.38 2.37 3.07 -1.38 -0.13 114.58 118.02 3n9l h GLU 313 Ca 0.07 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.03 3n9l h GLU 313 Cb 0.22 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.11 3n9l h GLU 313 CO -0.00 -0.19 -0.27 0.22 -1.40 0.00 0.00 179.01 177.37 3n9l h ASP 314 N -0.29 -0.90 -1.00 1.42 -0.00 -1.42 -1.95 116.42 112.28 3n9l h ASP 314 Ca 0.02 0.17 0.21 0.00 -0.00 0.00 0.00 57.03 57.44 3n9l h ASP 314 Cb 0.35 0.44 -0.11 0.00 -0.00 0.00 0.00 39.33 40.01 3n9l h ASP 314 CO -0.25 -0.29 0.59 0.15 -0.00 0.00 0.00 179.24 179.45 3n9l h PHE 315 N -0.21 1.03 -0.67 0.28 3.04 0.03 -0.03 116.94 120.41 3n9l h PHE 315 Ca 0.18 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.18 3n9l h PHE 315 Cb 0.50 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3n9l h PHE 315 CO -0.49 0.16 0.44 0.82 -2.02 0.00 0.00 178.31 177.22 3n9l h ILE 316 N 0.68 1.15 -0.22 1.41 2.04 -0.22 0.46 117.51 122.80 3n9l h ILE 316 Ca 0.60 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 66.05 3n9l h ILE 316 Cb 1.03 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3n9l h ILE 316 CO -0.43 0.16 -0.35 0.71 0.00 0.00 0.00 178.15 178.24 3n9l h THR 317 N 0.88 1.29 -0.02 -0.27 1.35 -0.98 -2.89 112.91 112.27 3n9l h THR 317 Ca 0.25 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3n9l h THR 317 Cb -0.06 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3n9l h THR 317 CO -0.06 0.46 -0.15 -2.11 -0.25 0.00 0.00 175.52 173.41 3n9l n ARG 318 N -4.06 1.55 -0.29 4.72 1.85 -1.09 -4.68 116.66 114.66 3n9l n ARG 318 Ca -0.01 -1.27 0.28 0.00 -1.00 0.00 0.00 57.85 55.84 3n9l n ARG 318 Cb 0.47 -1.33 0.63 0.00 -1.05 0.00 0.00 32.46 31.18 3n9l n ARG 318 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 3n9l h GLU 319 N 2.87 0.19 -0.32 2.89 4.22 0.15 -0.49 114.58 124.09 3n9l h GLU 319 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3n9l h GLU 319 Cb 0.68 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3n9l h GLU 319 CO 0.00 0.13 0.00 0.27 -2.18 0.00 0.00 179.01 177.23 3n9l n ASN 320 N -4.41 1.96 0.09 1.04 2.04 -1.26 -3.72 115.26 110.99 3n9l n ASN 320 Ca 0.24 -1.91 0.12 0.00 -0.44 0.00 0.00 54.58 52.59 3n9l n ASN 320 Cb 1.00 -0.21 0.24 0.00 -2.53 0.00 0.00 39.78 38.28 3n9l n ASN 320 CO 0.00 0.00 0.00 0.71 -0.44 0.00 0.00 177.26 177.53 3n9l h THR 321 N 2.28 0.00 -3.28 5.53 1.35 -1.44 -3.46 112.91 113.88 3n9l h THR 321 Ca 0.00 -0.56 -0.53 0.00 -0.55 0.00 0.00 66.41 64.78 3n9l h THR 321 Cb 0.51 1.30 0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3n9l h THR 321 CO 0.00 0.00 0.65 0.54 -0.25 0.00 0.00 175.52 176.46 3n9l s VAL 322 N -3.16 3.33 0.57 6.82 0.11 -1.24 -4.96 120.40 121.87 3n9l s VAL 322 Ca 0.07 1.05 -0.19 0.00 -2.93 0.00 0.00 61.98 59.99 3n9l s VAL 322 Cb 0.12 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 3n9l s VAL 322 CO 0.68 0.13 0.73 -2.65 -3.33 0.00 0.00 175.10 170.66 3n9l n PRO 323 N 3.05 0.70 -1.92 1.54 -0.02 -1.26 -4.34 135.00 132.75 3n9l n PRO 323 Ca 0.07 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 3n9l n PRO 323 Cb 0.43 -1.90 0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3n9l n PRO 323 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3n9l s SER 324 N -1.18 5.00 0.64 2.55 0.01 -1.26 0.77 113.70 120.23 3n9l s SER 324 Ca 0.71 0.93 -0.11 0.00 1.31 0.00 0.00 55.95 58.79 3n9l s SER 324 Cb -0.44 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.17 3n9l s SER 324 CO 0.51 -1.60 1.04 -2.84 0.41 0.00 0.00 173.24 170.76 3n9l s PRO 325 N -5.44 3.40 0.56 12.44 0.02 -1.26 -4.73 135.00 139.99 3n9l s PRO 325 Ca 0.60 0.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 3n9l s PRO 325 Cb -0.11 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 3n9l s PRO 325 CO 0.50 -0.73 0.98 0.95 -0.33 0.00 0.00 177.00 178.37 3n9l s THR 326 N -3.09 4.68 0.62 0.99 -4.23 -1.26 -4.90 115.64 108.46 3n9l s THR 326 Ca 0.56 0.90 0.35 0.00 -1.18 0.00 0.00 61.69 62.33 3n9l s THR 326 Cb -0.12 -3.82 0.39 0.00 1.34 0.00 0.00 72.50 70.29 3n9l s THR 326 CO 0.53 -0.94 2.30 0.44 -0.54 0.00 0.00 174.62 176.40 3n9l h ASP 327 N 0.20 0.00 0.82 3.99 3.32 -1.98 0.39 116.42 123.16 3n9l h ASP 327 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 3n9l h ASP 327 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3n9l h ASP 327 CO 0.62 0.00 -0.43 0.44 -1.72 0.00 0.00 179.24 178.15 3n9l h ASP 328 N 0.00 0.00 0.00 6.45 3.32 -2.01 -3.38 116.42 120.80 3n9l h ASP 328 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n9l h ASP 328 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3n9l h ASP 328 CO -0.00 0.43 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.55 3n9l h GLU 329 N 0.00 0.00 -6.46 3.56 5.08 -1.30 -3.45 114.58 112.02 3n9l h GLU 329 Ca -0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3n9l h GLU 329 Cb 0.95 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.01 3n9l h GLU 329 CO 0.06 0.00 -0.75 0.14 -1.00 0.00 0.00 179.01 177.45 3n9l s VAL 330 N -1.20 3.23 -0.18 3.13 -7.23 -1.00 -1.75 120.40 115.40 3n9l s VAL 330 Ca -0.02 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3n9l s VAL 330 Cb 0.00 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3n9l s VAL 330 CO 0.03 0.32 -0.18 0.00 -0.31 0.00 0.00 175.10 174.95 3n9l s ILE 332 N 1.24 5.30 0.06 0.00 1.01 -1.26 -1.54 121.20 126.00 3n9l s ILE 332 Ca 0.03 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.26 3n9l s ILE 332 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3n9l s ILE 332 CO -0.10 0.36 -0.14 0.68 0.00 0.00 0.00 174.94 175.74 3n9l s VAL 333 N 0.67 1.09 0.12 2.92 -7.23 -0.28 -4.97 120.40 112.71 3n9l s VAL 333 Ca 0.16 -1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 59.03 3n9l s VAL 333 Cb -0.13 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 3n9l s VAL 333 CO 0.04 -0.13 1.47 -0.33 -0.31 0.00 0.00 175.10 175.85 3n9l h GLU 334 N 4.59 0.76 -4.25 4.82 4.39 -1.95 -1.74 114.58 121.20 3n9l h GLU 334 Ca -0.39 -0.35 -0.31 0.00 0.34 0.00 0.00 59.36 58.65 3n9l h GLU 334 Cb 1.19 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.74 3n9l h GLU 334 CO 0.42 0.97 -0.24 0.16 -1.16 0.00 0.00 179.01 179.16 3n9l s ASP 335 N -6.51 1.06 0.35 1.42 3.84 -1.26 -0.73 116.67 114.84 3n9l s ASP 335 Ca -0.12 -1.54 0.08 0.00 -0.00 0.00 0.00 52.55 50.97 3n9l s ASP 335 Cb 0.10 0.65 0.64 0.00 -1.38 0.00 0.00 42.92 42.92 3n9l s ASP 335 CO 0.83 -1.27 1.82 1.23 -0.00 0.00 0.00 175.17 177.78 3n9l h GLY 336 N 2.11 0.25 0.98 2.12 0.00 -1.09 -0.70 103.07 106.73 3n9l h GLY 336 Ca -0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3n9l h GLY 336 CO 0.38 0.17 0.24 -0.97 0.00 0.00 0.00 176.54 176.36 3n9l h TYR 337 N 0.21 0.78 -0.30 5.60 0.05 -1.75 0.16 116.97 121.72 3n9l h TYR 337 Ca 0.03 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 3n9l h TYR 337 Cb 0.57 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3n9l h TYR 337 CO 0.01 0.62 -0.36 1.49 -1.05 0.00 0.00 178.16 178.87 3n9l h GLU 338 N 0.71 0.67 0.07 4.88 4.81 -1.84 -2.76 114.58 121.13 3n9l h GLU 338 Ca 0.18 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3n9l h GLU 338 Cb 0.15 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3n9l h GLU 338 CO -0.02 0.93 -0.10 0.35 -0.73 0.00 0.00 179.01 179.44 3n9l h PHE 339 N 0.56 -0.25 -0.66 0.92 3.57 -0.73 -1.38 116.94 118.97 3n9l h PHE 339 Ca 0.05 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3n9l h PHE 339 Cb 0.88 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 3n9l h PHE 339 CO 0.04 -0.15 0.21 -0.09 -2.23 0.00 0.00 178.31 176.09 3n9l h ARG 340 N -0.21 0.34 -0.61 1.11 2.43 -0.60 0.54 114.38 117.40 3n9l h ARG 340 Ca 0.02 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3n9l h ARG 340 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3n9l h ARG 340 CO -0.05 0.23 0.05 0.00 -1.51 0.00 0.00 179.97 178.68 3n9l h ARG 341 N 0.35 1.04 -0.02 0.20 3.08 -1.19 -1.22 114.38 116.62 3n9l h ARG 341 Ca 0.35 -0.31 -0.22 0.00 0.07 0.00 0.00 59.98 59.88 3n9l h ARG 341 Cb 0.52 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3n9l h ARG 341 CO -0.39 0.99 -0.90 0.93 -1.07 0.00 0.00 179.97 179.53 3n9l h GLU 342 N 0.94 0.44 -0.76 0.04 4.39 -0.52 -2.19 114.58 116.92 3n9l h GLU 342 Ca 0.18 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3n9l h GLU 342 Cb 0.49 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 3n9l h GLU 342 CO 0.02 1.10 0.31 0.35 -1.16 0.00 0.00 179.01 179.63 3n9l h PHE 343 N 0.26 1.14 -0.27 4.33 -0.00 0.18 -2.69 116.94 119.89 3n9l h PHE 343 Ca -0.07 -0.08 -0.16 0.00 -0.00 0.00 0.00 57.97 57.66 3n9l h PHE 343 Cb 1.53 -0.35 -0.00 0.00 -0.00 0.00 0.00 35.95 37.13 3n9l h PHE 343 CO 0.06 0.86 -0.49 0.93 -0.00 0.00 0.00 178.31 179.67 3n9l h GLU 344 N 1.10 0.74 -0.16 1.11 3.07 -1.20 0.07 114.58 119.32 3n9l h GLU 344 Ca 0.26 -0.44 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 3n9l h GLU 344 Cb 0.19 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3n9l h GLU 344 CO -0.02 1.06 0.11 0.87 -1.40 0.00 0.00 179.01 179.62 3n9l h LYS 345 N 0.59 0.11 -0.14 2.33 1.57 -1.08 -2.14 116.57 117.82 3n9l h LYS 345 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3n9l h LYS 345 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3n9l h LYS 345 CO 0.10 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.34 3n9l n LEU 346 N -4.51 1.80 0.00 2.94 4.77 -1.06 -4.89 117.00 116.05 3n9l n LEU 346 Ca -0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3n9l n LEU 346 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3n9l n LEU 346 CO 0.35 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3n9l n GLY 347 N 1.18 0.66 6.81 -0.72 0.00 -0.80 -4.73 105.19 107.58 3n9l n GLY 347 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3n9l n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9l n GLY 348 N -1.21 -0.37 0.13 -0.02 0.00 0.00 -3.87 105.19 99.85 3n9l n GLY 348 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 3n9l n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9l h ALA 349 N 0.00 0.83 0.00 4.61 0.00 -1.95 -2.36 119.26 120.39 3n9l h ALA 349 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3n9l h ALA 349 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3n9l h ALA 349 CO 0.00 0.79 0.00 -0.44 0.00 0.00 0.00 179.25 179.60 3n9l h ASP 350 N 0.00 0.00 0.00 0.00 3.32 -1.84 -3.02 116.42 114.87 3n9l h ASP 350 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3n9l h ASP 350 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3n9l h ASP 350 CO 0.08 0.00 -0.21 -3.20 -1.72 0.00 0.00 179.24 174.19 3n9l n ASN 351 N -2.35 1.58 -4.63 6.45 2.85 -1.19 -4.76 115.26 113.21 3n9l n ASN 351 Ca 0.04 -2.79 -0.43 0.00 -0.11 0.00 0.00 54.58 51.29 3n9l n ASN 351 Cb 0.34 -0.36 -0.02 0.00 1.24 0.00 0.00 39.78 40.98 3n9l n ASN 351 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 3n9l s TRP 352 N -1.97 2.38 0.00 1.20 -0.00 -0.90 -4.81 118.94 114.84 3n9l s TRP 352 Ca 0.23 0.70 0.00 0.00 -0.00 0.00 0.00 56.10 57.03 3n9l s TRP 352 Cb 0.21 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.71 3n9l s TRP 352 CO 0.01 -2.34 0.00 0.41 -0.00 0.00 0.00 176.95 175.03 3n9l n GLY 353 N 4.53 0.42 3.61 5.86 0.00 -1.26 -4.78 105.19 113.56 3n9l n GLY 353 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3n9l n GLY 353 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n9l s LYS 354 N -0.48 2.20 0.24 1.61 -2.85 -1.26 -4.92 119.74 114.28 3n9l s LYS 354 Ca 0.00 -1.22 -0.22 0.00 -1.00 0.00 0.00 55.97 53.52 3n9l s LYS 354 Cb 0.00 -2.23 -0.09 0.00 -2.06 0.00 0.00 37.83 33.46 3n9l s LYS 354 CO 0.00 0.44 0.79 0.54 0.10 0.00 0.00 175.35 177.22 3n9l s VAL 355 N -1.76 4.43 -0.05 1.79 0.11 -0.72 -4.63 120.40 119.58 3n9l s VAL 355 Ca 0.26 1.51 0.06 0.00 -2.93 0.00 0.00 61.98 60.88 3n9l s VAL 355 Cb -0.09 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.79 3n9l s VAL 355 CO 0.17 0.26 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.60 3n9l s PHE 356 N -1.47 2.45 -0.19 1.54 0.08 -0.52 -0.48 117.98 119.41 3n9l s PHE 356 Ca 0.43 -0.54 -0.00 0.00 0.12 0.00 0.00 56.93 56.94 3n9l s PHE 356 Cb -0.19 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3n9l s PHE 356 CO 0.23 -0.09 -0.15 1.41 -0.10 0.00 0.00 175.22 176.51 3n9l s MET 357 N -0.39 3.14 -0.23 0.44 -2.45 -0.59 -0.00 119.30 119.22 3n9l s MET 357 Ca 0.03 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.66 3n9l s MET 357 Cb -0.12 -2.70 -0.02 0.00 1.25 0.00 0.00 34.83 33.25 3n9l s MET 357 CO 0.02 -0.16 0.01 0.08 1.05 0.00 0.00 175.02 176.02 3n9l s VAL 358 N 1.24 3.87 0.12 10.11 1.01 0.11 -1.12 120.40 135.74 3n9l s VAL 358 Ca 0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3n9l s VAL 358 Cb -0.14 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 3n9l s VAL 358 CO -0.08 0.38 1.45 0.11 0.00 0.00 0.00 175.10 176.97 3n9l h LYS 359 N 8.13 0.83 -4.35 2.72 1.57 -1.27 0.14 116.57 124.33 3n9l h LYS 359 Ca -0.40 -0.44 -0.51 0.00 -1.87 0.00 0.00 60.65 57.44 3n9l h LYS 359 Cb 1.17 0.02 -0.35 0.00 0.08 0.00 0.00 32.23 33.15 3n9l h LYS 359 CO 0.59 1.08 -0.80 0.34 -0.57 0.00 0.00 179.45 180.09 3n9l s ASP 360 N -6.71 1.83 0.55 0.86 2.15 0.09 -3.89 116.67 111.56 3n9l s ASP 360 Ca -0.12 -0.28 0.34 0.00 0.43 0.00 0.00 52.55 52.92 3n9l s ASP 360 Cb 0.10 -0.78 1.50 0.00 -0.30 0.00 0.00 42.92 43.44 3n9l s ASP 360 CO 0.86 -0.04 2.04 0.00 -0.17 0.00 0.00 175.17 177.86 3n9l h MET 361 N 7.47 0.00 -6.08 4.34 -0.00 -1.85 -3.16 114.93 115.65 3n9l h MET 361 Ca -0.31 0.00 -0.74 0.00 -0.00 0.00 0.00 59.70 58.65 3n9l h MET 361 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 3n9l h MET 361 CO 0.45 0.05 1.06 -3.47 -0.00 0.00 0.00 176.91 174.99 3n9l n ASP 362 N -3.20 2.06 0.00 -0.10 2.03 -1.26 -0.22 116.55 115.85 3n9l n ASP 362 Ca -0.00 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.19 3n9l n ASP 362 Cb 0.27 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 3n9l n ASP 362 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n9l n GLY 363 N 5.12 2.55 0.16 0.27 0.00 -1.26 -1.15 105.19 110.87 3n9l n GLY 363 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 3n9l n GLY 363 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n9l h LEU 364 N 0.00 0.00 -0.90 0.99 3.38 -0.87 -3.39 115.31 114.52 3n9l h LEU 364 Ca 0.00 -0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.54 3n9l h LEU 364 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 3n9l h LEU 364 CO 0.00 0.01 -0.70 0.59 0.09 0.00 0.00 178.44 178.44 3n9l n ASN 365 N -2.77 -5.99 -4.37 -0.43 3.02 -1.26 -3.15 115.26 100.31 3n9l n ASN 365 Ca 0.03 -0.58 -0.39 0.00 -0.03 0.00 0.00 54.58 53.60 3n9l n ASN 365 Cb 0.52 -4.84 -0.12 0.00 -0.61 0.00 0.00 39.78 34.73 3n9l n ASN 365 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3n9l s MET 366 N -6.34 2.90 -0.06 3.52 1.75 -1.26 -2.89 119.30 116.91 3n9l s MET 366 Ca 0.58 -1.02 -0.30 0.00 -1.25 0.00 0.00 55.69 53.71 3n9l s MET 366 Cb -0.26 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 33.74 3n9l s MET 366 CO 0.75 -0.63 1.28 0.99 -0.65 0.00 0.00 175.02 176.77 3n9l s THR 367 N 1.53 4.08 0.04 10.11 2.01 -1.25 -4.93 115.64 127.24 3n9l s THR 367 Ca 0.02 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.39 3n9l s THR 367 Cb -0.19 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 3n9l s THR 367 CO 0.06 -0.03 0.06 -0.04 -0.69 0.00 0.00 174.62 173.97 3n9l s MET 368 N 2.57 0.54 0.60 4.92 -1.94 -1.18 -0.58 119.30 124.23 3n9l s MET 368 Ca 0.58 -0.80 -0.20 0.00 -1.71 0.00 0.00 55.69 53.57 3n9l s MET 368 Cb -0.26 0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 3n9l s MET 368 CO 0.22 -0.12 1.29 -2.14 -0.01 0.00 0.00 175.02 174.25 3n9l s PRO 369 N -2.59 2.88 0.29 2.03 0.02 -1.04 -4.91 135.00 131.67 3n9l s PRO 369 Ca -0.05 2.04 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 3n9l s PRO 369 Cb -0.01 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 3n9l s PRO 369 CO -0.05 -1.33 1.19 0.15 -0.33 0.00 0.00 177.00 176.63 3n9l s LYS 370 N -3.20 4.51 0.62 5.54 1.02 -1.26 -4.95 119.74 122.02 3n9l s LYS 370 Ca 0.77 1.97 -0.17 0.00 0.02 0.00 0.00 55.97 58.56 3n9l s LYS 370 Cb -0.36 -3.15 -0.07 0.00 -0.52 0.00 0.00 37.83 33.72 3n9l s LYS 370 CO 0.40 0.02 0.49 -2.30 -0.92 0.00 0.00 175.35 173.04 3n9l n PRO 371 N 1.22 0.43 0.00 -1.68 -0.02 -1.26 -2.14 135.00 131.56 3n9l n PRO 371 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3n9l n PRO 371 Cb 0.44 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3n9l n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n9l n GLY 372 N 1.78 3.03 3.77 -1.23 0.00 -1.26 -5.05 105.19 106.24 3n9l n GLY 372 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3n9l n GLY 372 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n9l s PHE 373 N -2.95 2.82 0.00 1.61 5.36 -0.91 -4.99 117.98 118.91 3n9l s PHE 373 Ca 0.00 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 3n9l s PHE 373 Cb 0.00 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3n9l s PHE 373 CO 0.00 -2.48 0.00 -0.40 -1.46 0.00 0.00 175.22 170.88 3n9l n ASP 374 N 0.73 0.00 -0.33 6.13 5.75 -1.26 -4.94 116.55 122.63 3n9l n ASP 374 Ca 0.01 -0.99 0.15 0.00 -0.01 0.00 0.00 54.79 53.95 3n9l n ASP 374 Cb 0.40 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.87 3n9l n ASP 374 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3n9l h LEU 375 N 0.00 0.68 -0.88 -2.12 5.85 -1.98 0.58 115.31 117.44 3n9l h LEU 375 Ca 0.00 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.89 3n9l h LEU 375 Cb 0.00 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3n9l h LEU 375 CO 0.00 0.23 0.53 -0.33 -0.34 0.00 0.00 178.44 178.53 3n9l h GLU 376 N 0.66 0.88 0.00 1.25 4.39 -1.97 -0.12 114.58 119.67 3n9l h GLU 376 Ca 0.57 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 60.08 3n9l h GLU 376 Cb 1.02 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3n9l h GLU 376 CO -0.34 0.58 -0.64 -0.44 -1.16 0.00 0.00 179.01 177.01 3n9l h ASP 377 N 0.91 0.00 -0.09 1.42 5.19 -1.31 -2.85 116.42 119.69 3n9l h ASP 377 Ca 0.41 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 3n9l h ASP 377 Cb 0.31 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 3n9l h ASP 377 CO -0.22 0.64 -0.00 0.58 -3.12 0.00 0.00 179.24 177.11 3n9l h VAL 378 N 0.00 1.25 -0.13 -1.35 2.07 -0.40 -2.36 116.25 115.34 3n9l h VAL 378 Ca -0.01 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 3n9l h VAL 378 Cb 1.18 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3n9l h VAL 378 CO 0.08 0.23 -0.38 1.62 0.02 0.00 0.00 177.57 179.14 3n9l h VAL 379 N -0.12 1.30 -0.38 2.57 3.04 -1.21 -0.67 116.25 120.78 3n9l h VAL 379 Ca 0.03 -1.47 -0.04 0.00 -1.01 0.00 0.00 66.70 64.22 3n9l h VAL 379 Cb 0.35 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 3n9l h VAL 379 CO 0.01 0.44 0.10 0.11 -1.01 0.00 0.00 177.57 177.22 3n9l h LYS 380 N 0.23 0.61 -0.13 4.17 1.57 -1.47 0.10 116.57 121.65 3n9l h LYS 380 Ca 0.02 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.45 3n9l h LYS 380 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3n9l h LYS 380 CO 0.06 0.63 -0.76 0.82 -0.57 0.00 0.00 179.45 179.64 3n9l h ILE 381 N 0.48 1.32 0.06 1.86 2.04 -1.25 -3.34 117.51 118.67 3n9l h ILE 381 Ca 0.12 -2.03 -0.29 0.00 1.00 0.00 0.00 64.86 63.65 3n9l h ILE 381 Cb 0.29 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 3n9l h ILE 381 CO -0.00 0.63 -1.57 0.24 0.00 0.00 0.00 178.15 177.45 3n9l h MET 382 N 0.44 0.13 0.00 2.37 2.86 -1.13 -3.48 114.93 116.12 3n9l h MET 382 Ca -0.04 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3n9l h MET 382 Cb 1.36 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.11 3n9l h MET 382 CO 0.15 0.89 0.00 0.41 1.06 0.00 0.00 176.91 179.42 3n9l n GLY 383 N 1.62 3.03 0.28 8.32 0.00 0.36 -4.65 105.19 114.15 3n9l n GLY 383 Ca -0.16 -1.48 0.17 0.00 0.00 0.00 0.00 46.02 44.55 3n9l n GLY 383 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3n9l h SER 384 N 0.00 0.00 0.21 1.61 0.02 -1.90 -2.62 113.55 110.87 3n9l h SER 384 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n9l h SER 384 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3n9l h SER 384 CO 0.00 0.04 -0.77 0.47 -1.14 0.00 0.00 176.83 175.43 3n9l n ASP 385 N -3.18 0.82 -4.66 3.07 9.92 -1.26 -1.96 116.55 119.29 3n9l n ASP 385 Ca -0.00 -0.70 -0.48 0.00 -0.53 0.00 0.00 54.79 53.08 3n9l n ASP 385 Cb 0.28 0.67 -0.05 0.00 -0.64 0.00 0.00 41.12 41.38 3n9l n ASP 385 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3n9l n TYR 386 N -1.45 2.15 -3.40 1.24 9.36 -0.99 -4.70 117.16 119.37 3n9l n TYR 386 Ca 0.05 0.30 -0.38 0.00 3.32 0.00 0.00 57.90 61.19 3n9l n TYR 386 Cb 0.34 -2.52 -0.08 0.00 -0.63 0.00 0.00 39.34 36.44 3n9l n TYR 386 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3n9l s GLU 387 N 1.33 4.10 -0.02 2.98 2.02 -1.26 -0.86 118.70 126.99 3n9l s GLU 387 Ca 0.82 0.11 0.06 0.00 0.02 0.00 0.00 54.97 55.98 3n9l s GLU 387 Cb -0.74 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 29.88 3n9l s GLU 387 CO 0.42 -0.14 -0.18 0.54 0.02 0.00 0.00 175.26 175.91 3n9l s VAL 388 N 1.64 2.72 -0.05 2.63 0.11 -0.76 -4.93 120.40 121.77 3n9l s VAL 388 Ca 0.17 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.97 3n9l s VAL 388 Cb -0.15 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.60 3n9l s VAL 388 CO 0.08 0.52 1.36 -1.81 -3.33 0.00 0.00 175.10 171.93 3n9l s ASP 389 N -0.88 6.89 0.03 3.54 -0.00 -1.26 -1.77 116.67 123.23 3n9l s ASP 389 Ca 0.12 1.99 0.07 0.00 -0.00 0.00 0.00 52.55 54.73 3n9l s ASP 389 Cb -0.10 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.24 3n9l s ASP 389 CO 0.01 -0.72 -0.21 -0.89 -0.00 0.00 0.00 175.17 173.36 3n9l s THR 390 N 2.70 1.73 -0.11 -1.27 2.01 0.30 -4.17 115.64 116.82 3n9l s THR 390 Ca 0.61 -1.18 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 3n9l s THR 390 Cb -0.28 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 3n9l s THR 390 CO 0.24 0.26 0.65 -0.63 -0.69 0.00 0.00 174.62 174.45 3n9l s ILE 391 N -0.76 5.06 -1.08 1.82 1.01 -0.79 0.20 121.20 126.66 3n9l s ILE 391 Ca 0.08 1.30 -0.18 0.00 0.00 0.00 0.00 60.65 61.85 3n9l s ILE 391 Cb -0.09 -3.98 0.12 0.00 0.01 0.00 0.00 42.46 38.52 3n9l s ILE 391 CO 0.01 0.22 1.36 -0.62 0.00 0.00 0.00 174.94 175.91 3n9l s ASP 392 N 0.88 6.76 0.21 3.58 -1.08 0.13 -2.74 116.67 124.41 3n9l s ASP 392 Ca 0.33 -2.27 -0.20 0.00 -0.52 0.00 0.00 52.55 49.89 3n9l s ASP 392 Cb -0.17 -2.45 0.17 0.00 -1.46 0.00 0.00 42.92 39.01 3n9l s ASP 392 CO 0.14 -1.06 1.55 0.58 0.52 0.00 0.00 175.17 176.90 3n9l h VAL 393 N 5.63 0.02 0.00 1.11 2.07 -1.72 0.32 116.25 123.68 3n9l h VAL 393 Ca 0.25 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 3n9l h VAL 393 Cb 0.96 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3n9l h VAL 393 CO 1.25 0.00 -0.24 1.88 0.02 0.00 0.00 177.57 180.48 3n9l h TYR 394 N -0.03 0.00 0.00 1.57 0.05 -1.79 -0.00 116.97 116.77 3n9l h TYR 394 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 3n9l h TYR 394 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3n9l h TYR 394 CO -0.87 0.24 -0.48 -1.71 -1.05 0.00 0.00 178.16 174.29 3n9l n ASN 395 N -4.19 0.66 -3.87 3.88 5.15 0.34 -4.28 115.26 112.94 3n9l n ASN 395 Ca -0.02 0.17 -0.25 0.00 -0.60 0.00 0.00 54.58 53.88 3n9l n ASN 395 Cb 0.30 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 3n9l n ASN 395 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3n9l n GLN 396 N -2.03 -4.14 -4.24 1.20 1.13 0.86 -4.82 117.38 105.34 3n9l n GLN 396 Ca 0.04 0.50 -0.14 0.00 -1.94 0.00 0.00 57.00 55.47 3n9l n GLN 396 Cb 0.42 -4.92 -0.10 0.00 0.11 0.00 0.00 30.24 25.76 3n9l n GLN 396 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3n9l s SER 397 N -4.18 0.58 -0.03 1.08 0.01 -1.21 -4.99 113.70 104.96 3n9l s SER 397 Ca 0.12 -1.45 0.06 0.00 1.31 0.00 0.00 55.95 56.00 3n9l s SER 397 Cb -0.06 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 3n9l s SER 397 CO 0.86 -0.86 -0.22 0.42 0.41 0.00 0.00 173.24 173.85 3n9l s THR 398 N -3.98 1.77 0.25 1.44 -4.23 -1.26 0.17 115.64 109.80 3n9l s THR 398 Ca 0.39 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3n9l s THR 398 Cb 0.06 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 3n9l s THR 398 CO 0.15 0.50 0.13 -0.31 -0.54 0.00 0.00 174.62 174.54 3n9l s TYR 399 N -0.37 1.42 0.22 3.99 2.02 0.13 -4.91 117.35 119.85 3n9l s TYR 399 Ca 0.04 -1.31 -0.12 0.00 -0.37 0.00 0.00 57.07 55.31 3n9l s TYR 399 Cb -0.10 -0.76 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 3n9l s TYR 399 CO 0.00 -0.50 0.58 -1.12 -1.57 0.00 0.00 175.55 172.95 3n9l s SER 400 N -3.27 6.72 -0.18 2.29 0.01 -1.26 0.11 113.70 118.12 3n9l s SER 400 Ca 0.38 1.04 -0.12 0.00 1.31 0.00 0.00 55.95 58.56 3n9l s SER 400 Cb 0.07 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 64.08 3n9l s SER 400 CO 0.14 -0.04 0.45 -0.32 0.41 0.00 0.00 173.24 173.89 3n9l s MET 401 N -2.56 0.47 0.33 12.44 1.75 -0.73 -3.02 119.30 127.98 3n9l s MET 401 Ca 0.45 0.79 -0.29 0.00 -1.25 0.00 0.00 55.69 55.39 3n9l s MET 401 Cb -0.12 0.08 -0.11 0.00 2.84 0.00 0.00 34.83 37.52 3n9l s MET 401 CO 0.20 -0.13 1.51 0.15 -0.65 0.00 0.00 175.02 176.10 3n9l s LYS 402 N 1.06 4.14 0.27 4.11 1.02 -1.26 -1.84 119.74 127.24 3n9l s LYS 402 Ca -0.07 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.46 3n9l s LYS 402 Cb -0.06 -3.00 0.57 0.00 -0.52 0.00 0.00 37.83 34.81 3n9l s LYS 402 CO -0.09 -0.54 1.76 1.25 -0.92 0.00 0.00 175.35 176.81 3n9l h LEU 403 N 3.84 0.55 -0.72 3.17 5.85 -1.06 0.13 115.31 127.08 3n9l h LEU 403 Ca -0.49 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.39 3n9l h LEU 403 Cb 1.23 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3n9l h LEU 403 CO 0.71 0.22 0.41 -0.78 -0.34 0.00 0.00 178.44 178.66 3n9l h ASP 404 N 0.63 0.62 -0.21 1.25 3.58 -1.66 -0.44 116.42 120.20 3n9l h ASP 404 Ca 0.48 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.86 3n9l h ASP 404 Cb 0.70 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3n9l h ASP 404 CO -0.37 0.40 -0.18 0.74 -2.88 0.00 0.00 179.24 176.95 3n9l h THR 405 N 0.75 1.26 -0.38 2.25 2.02 -1.06 -1.85 112.91 115.90 3n9l h THR 405 Ca 0.32 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 3n9l h THR 405 Cb 0.19 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3n9l h THR 405 CO -0.18 0.40 0.06 0.15 0.37 0.00 0.00 175.52 176.32 3n9l h PHE 406 N 0.57 0.67 -0.15 3.16 3.57 -0.63 -2.97 116.94 121.16 3n9l h PHE 406 Ca 0.09 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3n9l h PHE 406 Cb 0.62 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3n9l h PHE 406 CO 0.03 0.67 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.66 3n9l h ARG 407 N 0.47 0.01 -0.41 1.11 2.43 -0.70 0.72 114.38 118.02 3n9l h ARG 407 Ca 0.12 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3n9l h ARG 407 Cb 0.36 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 3n9l h ARG 407 CO 0.01 0.00 0.02 0.87 -1.51 0.00 0.00 179.97 179.37 3n9l h LYS 408 N 0.01 0.13 -0.21 0.20 1.57 -1.34 0.31 116.57 117.24 3n9l h LYS 408 Ca 0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3n9l h LYS 408 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3n9l h LYS 408 CO -0.14 0.09 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.60 3n9l h LEU 409 N 0.14 0.33 -0.40 2.94 3.38 -1.32 -2.38 115.31 118.00 3n9l h LEU 409 Ca 0.20 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3n9l h LEU 409 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3n9l h LEU 409 CO -0.32 0.51 -0.80 0.15 0.09 0.00 0.00 178.44 178.07 3n9l h PHE 410 N 0.32 0.24 -0.32 1.13 3.57 0.86 -3.11 116.94 119.63 3n9l h PHE 410 Ca 0.06 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.29 3n9l h PHE 410 Cb 0.46 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3n9l h PHE 410 CO 0.01 0.89 -0.40 0.00 -2.23 0.00 0.00 178.31 176.58 3n9l h ARG 411 N 0.10 0.78 -5.68 1.11 3.08 -0.23 -3.37 114.38 110.16 3n9l h ARG 411 Ca -0.03 -0.41 -0.46 0.00 0.07 0.00 0.00 59.98 59.15 3n9l h ARG 411 Cb 1.39 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.39 3n9l h ARG 411 CO 0.12 1.03 1.42 0.34 -1.07 0.00 0.00 179.97 181.81 3n9l s ASP 412 N -6.85 5.75 0.44 7.04 -1.08 -0.92 -4.74 116.67 116.31 3n9l s ASP 412 Ca -0.09 -1.76 0.24 0.00 -0.52 0.00 0.00 52.55 50.42 3n9l s ASP 412 Cb 0.12 -2.58 0.75 0.00 -1.46 0.00 0.00 42.92 39.74 3n9l s ASP 412 CO 0.86 -2.29 1.75 0.71 0.52 0.00 0.00 175.17 176.71 3n9l h THR 413 N 6.19 0.37 0.00 1.71 1.35 -1.80 -3.27 112.91 117.46 3n9l h THR 413 Ca 0.27 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3n9l h THR 413 Cb 0.93 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3n9l h THR 413 CO 1.32 0.17 -1.13 0.29 -0.25 0.00 0.00 175.52 175.92 3n9l n LYS 414 N -3.24 0.39 -3.87 4.72 4.01 -1.26 -4.75 118.16 114.16 3n9l n LYS 414 Ca 0.01 -0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.52 3n9l n LYS 414 Cb 0.48 -1.63 -0.16 0.00 -0.51 0.00 0.00 35.03 33.21 3n9l n LYS 414 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3n9l s ASN 415 N -4.26 3.55 -0.43 4.39 3.04 -1.23 -5.04 114.94 114.95 3n9l s ASN 415 Ca 0.02 -1.07 0.06 0.00 0.04 0.00 0.00 52.86 51.90 3n9l s ASN 415 Cb 0.13 -0.98 0.20 0.00 -1.54 0.00 0.00 41.25 39.06 3n9l s ASN 415 CO 0.81 -0.26 0.51 0.54 -3.04 0.00 0.00 177.10 175.65 3n9l n ARG 416 N 4.80 0.44 -0.17 0.43 1.74 -1.26 -4.86 116.66 117.77 3n9l n ARG 416 Ca -0.11 -2.84 -0.02 0.00 -0.77 0.00 0.00 57.85 54.11 3n9l n ARG 416 Cb 0.45 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 3n9l n ARG 416 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3n9l h PRO 417 N 4.95 0.12 -6.78 5.56 0.11 -1.97 -3.41 132.00 130.58 3n9l h PRO 417 Ca 0.14 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.57 3n9l h PRO 417 Cb 0.95 -0.03 -0.20 0.00 0.11 0.00 0.00 31.00 31.83 3n9l h PRO 417 CO 0.32 0.08 -0.83 -0.51 -0.21 0.00 0.00 178.00 176.85 3n9l s LEU 418 N -10.60 2.51 -0.00 2.35 1.02 -1.26 -5.10 118.68 107.60 3n9l s LEU 418 Ca -0.13 -0.69 -0.09 0.00 0.02 0.00 0.00 54.13 53.24 3n9l s LEU 418 Cb 0.17 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.97 3n9l s LEU 418 CO 0.73 0.17 0.29 -0.76 0.02 0.00 0.00 176.35 176.80 3n9l s LEU 419 N -2.22 4.39 0.09 1.79 1.43 -1.26 -5.06 118.68 117.84 3n9l s LEU 419 Ca 0.17 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 53.99 3n9l s LEU 419 Cb -0.10 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3n9l s LEU 419 CO 0.09 0.28 -0.15 -0.31 0.23 0.00 0.00 176.35 176.49 3n9l s TYR 420 N -1.22 1.33 -0.30 0.29 2.02 -1.26 -2.33 117.35 115.88 3n9l s TYR 420 Ca 0.25 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.43 3n9l s TYR 420 Cb -0.14 -0.73 0.19 0.00 -0.40 0.00 0.00 41.96 40.88 3n9l s TYR 420 CO 0.14 0.10 0.80 1.21 -1.57 0.00 0.00 175.55 176.22 3n9l s ASN 421 N -1.94 -1.02 -0.12 2.29 3.04 -1.11 -2.38 114.94 113.71 3n9l s ASN 421 Ca 0.02 0.46 -0.14 0.00 0.04 0.00 0.00 52.86 53.24 3n9l s ASN 421 Cb -0.09 1.78 -0.05 0.00 -1.54 0.00 0.00 41.25 41.36 3n9l s ASN 421 CO 0.03 -0.19 0.33 0.72 -3.04 0.00 0.00 177.10 174.95 3n9l s PHE 422 N 2.90 3.54 -0.14 0.43 -0.12 -0.71 -1.89 117.98 121.99 3n9l s PHE 422 Ca 0.13 0.72 0.13 0.00 -0.05 0.00 0.00 56.93 57.86 3n9l s PHE 422 Cb -0.11 -2.33 -0.19 0.00 -0.63 0.00 0.00 43.02 39.76 3n9l s PHE 422 CO -0.19 0.36 0.34 1.28 -0.05 0.00 0.00 175.22 176.96 3n9l n LEU 423 N 3.06 0.12 -4.06 -1.99 4.77 -1.26 -2.60 117.00 115.05 3n9l n LEU 423 Ca -0.12 -0.10 -0.37 0.00 -0.03 0.00 0.00 56.01 55.38 3n9l n LEU 423 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 3n9l n LEU 423 CO 0.39 0.03 0.47 -1.20 -1.33 0.00 0.00 177.39 175.75 3n9l n SER 424 N -1.82 4.58 -3.78 -1.43 7.64 -1.26 -4.68 113.62 112.86 3n9l n SER 424 Ca -0.01 -3.18 -0.29 0.00 1.01 0.00 0.00 58.87 56.39 3n9l n SER 424 Cb 0.31 -1.08 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 3n9l n SER 424 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3n9l s LEU 425 N -1.64 3.30 -0.26 -3.43 2.96 -1.24 -4.12 118.68 114.25 3n9l s LEU 425 Ca 0.30 -2.89 -0.20 0.00 -0.22 0.00 0.00 54.13 51.11 3n9l s LEU 425 Cb -0.04 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 3n9l s LEU 425 CO -0.09 -0.23 0.60 -0.70 -1.32 0.00 0.00 176.35 174.62 3n9l s GLU 426 N -0.04 4.09 -0.14 1.98 -6.30 -1.26 -0.67 118.70 116.35 3n9l s GLU 426 Ca 0.19 0.49 0.18 0.00 -2.50 0.00 0.00 54.97 53.33 3n9l s GLU 426 Cb -0.21 -3.65 0.34 0.00 0.00 0.00 0.00 34.13 30.61 3n9l s GLU 426 CO -0.03 -0.41 1.21 1.97 0.02 0.00 0.00 175.26 178.03 3n9l n PHE 427 N 5.68 0.21 0.38 5.30 1.16 -0.76 -4.65 117.46 124.78 3n9l n PHE 427 Ca -0.01 -0.97 0.05 0.00 -1.87 0.00 0.00 57.45 54.65 3n9l n PHE 427 Cb 0.49 -0.19 0.23 0.00 -1.61 0.00 0.00 39.48 38.40 3n9l n PHE 427 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3n9l n SER 428 N -1.23 0.00 -0.80 5.98 3.41 -1.26 -1.70 113.62 118.02 3n9l n SER 428 Ca 0.17 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 3n9l n SER 428 Cb 0.69 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 64.30 3n9l n SER 428 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n9l n ASP 429 N -1.47 2.76 -4.52 4.04 5.75 -1.26 -4.87 116.55 116.99 3n9l n ASP 429 Ca 0.03 -1.81 -0.41 0.00 -0.01 0.00 0.00 54.79 52.59 3n9l n ASP 429 Cb 0.12 -0.11 -0.10 0.00 -1.03 0.00 0.00 41.12 40.00 3n9l n ASP 429 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3n9l s ASN 430 N -1.34 6.10 0.49 -1.12 2.47 -0.69 -4.98 114.94 115.88 3n9l s ASN 430 Ca 0.25 -0.45 0.19 0.00 0.42 0.00 0.00 52.86 53.27 3n9l s ASN 430 Cb 0.16 -2.16 1.23 0.00 -1.45 0.00 0.00 41.25 39.03 3n9l s ASN 430 CO 0.23 -0.31 2.02 0.78 -3.72 0.00 0.00 177.10 176.10 3n9l h ASN 431 N 8.51 0.15 0.03 -4.21 2.35 -1.89 -1.00 115.58 119.52 3n9l h ASN 431 Ca -0.30 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.36 3n9l h ASN 431 Cb 1.15 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 3n9l h ASN 431 CO 0.67 0.09 -0.48 -0.08 -1.65 0.00 0.00 177.43 175.98 3n9l h GLU 432 N 0.16 0.07 -0.28 0.81 4.81 -1.93 -3.39 114.58 114.83 3n9l h GLU 432 Ca 0.22 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3n9l h GLU 432 Cb 0.64 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3n9l h GLU 432 CO -0.03 1.06 0.10 0.52 -0.73 0.00 0.00 179.01 179.93 3n9l h MET 433 N -0.83 0.43 0.00 1.92 2.86 -1.76 -2.99 114.93 114.56 3n9l h MET 433 Ca -0.11 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3n9l h MET 433 Cb 1.23 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3n9l h MET 433 CO -0.00 0.48 0.00 0.36 1.06 0.00 0.00 176.91 178.80 3n9l n LYS 434 N -4.73 0.02 -0.00 1.72 2.85 -0.42 -0.28 118.16 117.32 3n9l n LYS 434 Ca -0.02 0.16 0.06 0.00 -1.05 0.00 0.00 58.31 57.46 3n9l n LYS 434 Cb 0.15 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.95 3n9l n LYS 434 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3n9l n GLU 435 N -1.17 1.61 -0.01 -1.58 -0.58 -1.13 -4.56 120.64 113.23 3n9l n GLU 435 Ca 0.01 -0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.62 3n9l n GLU 435 Cb 0.01 -1.19 -0.13 0.00 -0.57 0.00 0.00 31.44 29.56 3n9l n GLU 435 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3n9l h ILE 436 N 0.00 0.78 -2.97 -3.67 2.04 -0.69 -3.45 117.51 109.56 3n9l h ILE 436 Ca 0.00 -2.55 -0.53 0.00 1.00 0.00 0.00 64.86 62.78 3n9l h ILE 436 Cb 0.44 2.34 -0.40 0.00 -0.74 0.00 0.00 36.82 38.45 3n9l h ILE 436 CO 0.00 0.45 -0.77 0.00 0.00 0.00 0.00 178.15 177.83 3n9l s ALA 437 N -2.67 0.82 0.34 1.87 0.00 -1.13 -2.51 121.76 118.48 3n9l s ALA 437 Ca -0.04 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 50.98 3n9l s ALA 437 Cb 0.08 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 3n9l s ALA 437 CO 0.82 -1.51 0.01 0.15 0.00 0.00 0.00 175.76 175.23 3n9l s LYS 438 N 1.98 2.07 0.70 0.00 1.02 0.26 -4.81 119.74 120.96 3n9l s LYS 438 Ca 0.07 -1.76 -0.12 0.00 0.02 0.00 0.00 55.97 54.18 3n9l s LYS 438 Cb -0.16 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3n9l s LYS 438 CO -0.26 0.12 1.07 -2.14 -0.92 0.00 0.00 175.35 173.22 3n9l s PRO 439 N -3.72 2.82 0.79 -1.68 0.02 -1.26 -3.83 135.00 128.14 3n9l s PRO 439 Ca 0.35 1.07 -0.14 0.00 0.02 0.00 0.00 61.00 62.29 3n9l s PRO 439 Cb 0.00 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3n9l s PRO 439 CO 0.19 -1.20 0.95 -2.30 -0.33 0.00 0.00 177.00 174.31 3n9l n PRO 440 N -3.03 0.24 -0.26 5.54 -0.02 -1.26 -4.48 135.00 131.73 3n9l n PRO 440 Ca 0.08 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 3n9l n PRO 440 Cb 0.53 -2.22 0.08 0.00 -0.02 0.00 0.00 33.50 31.87 3n9l n PRO 440 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3n9l h ARG 441 N -0.72 0.89 -0.33 -0.52 2.43 -1.48 -1.74 114.38 112.91 3n9l h ARG 441 Ca -0.46 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 3n9l h ARG 441 Cb 1.31 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3n9l h ARG 441 CO 0.44 0.59 0.08 0.27 -1.51 0.00 0.00 179.97 179.84 3n9l h PHE 442 N 0.92 0.48 -0.27 2.20 -5.15 -1.90 -0.89 116.94 112.32 3n9l h PHE 442 Ca 0.29 -0.02 -0.06 0.00 -0.20 0.00 0.00 57.97 57.98 3n9l h PHE 442 Cb -0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.01 3n9l h PHE 442 CO -0.04 0.42 -0.05 0.28 -2.00 0.00 0.00 178.31 176.92 3n9l h VAL 443 N 0.47 1.28 -0.51 0.88 2.07 -1.69 -2.78 116.25 115.97 3n9l h VAL 443 Ca 0.11 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3n9l h VAL 443 Cb 0.18 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3n9l h VAL 443 CO -0.00 0.33 0.34 1.56 0.02 0.00 0.00 177.57 179.82 3n9l h GLN 444 N 0.27 0.65 -0.14 1.57 4.20 -0.65 -0.31 115.11 120.70 3n9l h GLN 444 Ca 0.07 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 3n9l h GLN 444 Cb 0.52 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3n9l h GLN 444 CO 0.02 0.43 -0.46 0.93 -0.67 0.00 0.00 178.83 179.08 3n9l h GLU 445 N 0.67 0.35 0.00 1.46 5.08 -0.97 -3.24 114.58 117.93 3n9l h GLU 445 Ca 0.19 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n9l h GLU 445 Cb -0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3n9l h GLU 445 CO -0.04 0.74 -0.95 0.44 -1.00 0.00 0.00 179.01 178.20 3n9l n ILE 446 N -3.99 0.00 -1.67 3.13 -5.35 -1.04 -4.97 119.36 105.47 3n9l n ILE 446 Ca -0.02 -0.11 -0.47 0.00 -0.27 0.00 0.00 62.75 61.89 3n9l n ILE 446 Cb 0.53 0.91 -0.04 0.00 -1.74 0.00 0.00 39.64 39.30 3n9l n ILE 446 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3n9l n SER 447 N -1.49 3.18 -0.01 7.28 2.88 -0.15 -4.38 113.62 120.91 3n9l n SER 447 Ca 0.03 1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 58.45 3n9l n SER 447 Cb 0.30 -1.41 -0.10 0.00 -0.75 0.00 0.00 64.21 62.26 3n9l n SER 447 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3n9l h MET 448 N 6.84 0.45 -0.57 -1.46 2.86 -1.03 -2.23 114.93 119.79 3n9l h MET 448 Ca -0.46 -0.42 0.06 0.00 -2.06 0.00 0.00 59.70 56.82 3n9l h MET 448 Cb 1.26 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.97 3n9l h MET 448 CO 0.90 1.06 0.27 0.28 1.06 0.00 0.00 176.91 180.49 3n9l h VAL 449 N -0.01 0.90 -0.81 -2.22 2.07 -1.91 -1.41 116.25 112.87 3n9l h VAL 449 Ca -0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3n9l h VAL 449 Cb 1.21 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3n9l h VAL 449 CO 0.11 0.09 0.46 -1.13 0.02 0.00 0.00 177.57 177.12 3n9l h ASN 450 N 0.50 0.99 -0.22 0.57 -1.24 -1.85 -0.36 115.58 113.97 3n9l h ASN 450 Ca 0.26 -0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.21 3n9l h ASN 450 Cb 0.22 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3n9l h ASN 450 CO -0.21 0.79 0.15 -0.09 -1.29 0.00 0.00 177.43 176.78 3n9l h ARG 451 N 1.11 0.21 0.07 6.67 9.65 -0.63 -2.74 114.38 128.72 3n9l h ARG 451 Ca 0.29 -0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.79 3n9l h ARG 451 Cb -0.00 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 3n9l h ARG 451 CO -0.05 0.14 -2.09 1.28 2.80 0.00 0.00 179.97 182.05 3n9l n LEU 452 N -4.50 2.26 -3.48 3.80 4.77 -0.84 -4.42 117.00 114.59 3n9l n LEU 452 Ca 0.01 0.15 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 3n9l n LEU 452 Cb 0.14 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 3n9l n LEU 452 CO 0.35 0.78 0.59 0.79 -1.33 0.00 0.00 177.39 178.56 3n9l n TRP 453 N -3.31 3.26 -1.74 -1.77 8.01 -0.19 -4.76 117.44 116.94 3n9l n TRP 453 Ca -0.33 -3.46 -0.39 0.00 -1.31 0.00 0.00 57.50 52.01 3n9l n TRP 453 Cb 1.04 -0.82 0.03 0.00 -2.01 0.00 0.00 31.31 29.56 3n9l n TRP 453 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 3n9l n PRO 454 N 0.53 1.81 -2.14 -0.99 -0.02 -1.04 -4.75 135.00 128.40 3n9l n PRO 454 Ca 0.32 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 62.06 3n9l n PRO 454 Cb 0.36 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3n9l n PRO 454 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3n9l n ASP 455 N -0.65 7.70 -4.52 2.55 4.64 -1.26 -4.96 116.55 120.05 3n9l n ASP 455 Ca 0.09 -3.24 -0.17 0.00 -1.38 0.00 0.00 54.79 50.09 3n9l n ASP 455 Cb 0.43 -1.34 0.07 0.00 -1.04 0.00 0.00 41.12 39.24 3n9l n ASP 455 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3n9l n VAL 456 N 1.53 0.00 -3.94 5.18 0.24 -1.26 -5.14 118.33 114.93 3n9l n VAL 456 Ca 0.58 -1.64 -0.11 0.00 -2.04 0.00 0.00 64.34 61.12 3n9l n VAL 456 Cb 0.26 -0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 31.98 3n9l n VAL 456 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3n9l s SER 457 N -4.22 0.39 0.51 -1.34 1.04 -1.26 -4.72 113.70 104.09 3n9l s SER 457 Ca 0.54 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3n9l s SER 457 Cb -0.04 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3n9l s SER 457 CO 0.35 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.70 3n9l n GLY 458 N -0.53 2.19 0.32 7.32 0.00 -1.26 -1.90 105.19 111.32 3n9l n GLY 458 Ca -0.04 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3n9l n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9l h ALA 459 N -0.41 1.50 0.35 4.61 0.00 -2.00 0.02 119.26 123.33 3n9l h ALA 459 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3n9l h ALA 459 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3n9l h ALA 459 CO 0.00 -0.25 -0.40 1.49 0.00 0.00 0.00 179.25 180.09 3n9l h GLU 460 N 0.52 -0.76 -0.26 0.00 4.81 -1.80 0.42 114.58 117.52 3n9l h GLU 460 Ca 0.56 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.84 3n9l h GLU 460 Cb 1.00 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3n9l h GLU 460 CO -0.47 -0.50 0.13 -0.92 -0.73 0.00 0.00 179.01 176.52 3n9l h TYR 461 N -0.78 0.34 -0.14 0.92 3.20 -0.92 0.17 116.97 119.76 3n9l h TYR 461 Ca -0.02 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3n9l h TYR 461 Cb 0.72 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3n9l h TYR 461 CO -0.24 0.25 -0.09 0.82 -1.64 0.00 0.00 178.16 177.26 3n9l h ILE 462 N 0.36 1.32 -0.41 1.81 1.08 -0.23 -1.14 117.51 120.31 3n9l h ILE 462 Ca 0.09 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 3n9l h ILE 462 Cb 0.03 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 3n9l h ILE 462 CO -0.01 0.34 0.13 0.11 -0.69 0.00 0.00 178.15 178.02 3n9l h LYS 463 N -0.03 0.59 0.00 2.37 1.57 0.29 0.86 116.57 122.21 3n9l h LYS 463 Ca 0.03 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3n9l h LYS 463 Cb 0.57 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3n9l h LYS 463 CO 0.02 0.52 -0.14 1.25 -0.57 0.00 0.00 179.45 180.53 3n9l h LEU 464 N 0.58 0.00 0.14 2.94 7.12 -0.43 -2.86 115.31 122.81 3n9l h LEU 464 Ca 0.14 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.85 3n9l h LEU 464 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 3n9l h LEU 464 CO -0.01 0.14 -1.50 -0.07 -0.13 0.00 0.00 178.44 176.87 3n9l h LEU 465 N 0.00 0.48 -0.63 2.25 3.38 0.22 -2.94 115.31 118.06 3n9l h LEU 465 Ca -0.00 -0.89 0.12 0.00 0.09 0.00 0.00 57.88 57.20 3n9l h LEU 465 Cb 0.30 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3n9l h LEU 465 CO 0.02 1.67 0.16 1.56 0.09 0.00 0.00 178.44 181.93 3n9l h GLN 466 N -0.16 0.28 -6.99 1.13 4.20 -0.75 -3.37 115.11 109.46 3n9l h GLN 466 Ca -0.31 -0.02 -0.45 0.00 0.06 0.00 0.00 58.65 57.93 3n9l h GLN 466 Cb 1.88 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.57 3n9l h GLN 466 CO 0.11 0.19 0.33 1.03 -0.67 0.00 0.00 178.83 179.82 3n9l s ARG 467 N -6.09 4.34 0.00 1.46 0.52 -1.09 -4.91 118.95 113.18 3n9l s ARG 467 Ca -0.13 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 3n9l s ARG 467 Cb 0.18 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.25 3n9l s ARG 467 CO 0.74 0.08 1.28 0.39 0.02 0.00 0.00 175.30 177.82 3n9l n GLU 468 N -0.21 0.67 -0.11 3.54 1.02 -1.26 -3.84 120.64 120.46 3n9l n GLU 468 Ca 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 3n9l n GLU 468 Cb 0.53 -1.16 0.33 0.00 -0.02 0.00 0.00 31.44 31.11 3n9l n GLU 468 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3n9l n GLU 469 N 1.56 1.91 -2.49 3.49 1.02 -1.21 -4.90 120.64 120.02 3n9l n GLU 469 Ca 0.00 -1.37 -0.39 0.00 -0.02 0.00 0.00 57.16 55.38 3n9l n GLU 469 Cb 0.34 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3n9l n GLU 469 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3n9l s TYR 470 N -1.72 3.49 -0.04 -0.32 5.04 -1.12 -4.95 117.35 117.74 3n9l s TYR 470 Ca 0.33 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 3n9l s TYR 470 Cb 0.18 -3.24 0.03 0.00 0.35 0.00 0.00 41.96 39.28 3n9l s TYR 470 CO 0.27 -0.58 -0.00 -0.51 -1.34 0.00 0.00 175.55 173.39 3n9l s LEU 471 N -1.79 1.08 0.26 6.97 1.43 -1.26 -5.11 118.68 120.26 3n9l s LEU 471 Ca 0.48 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 3n9l s LEU 471 Cb -0.29 -0.27 -0.14 0.00 0.03 0.00 0.00 46.19 45.52 3n9l s LEU 471 CO 0.37 -0.11 1.09 -2.65 0.23 0.00 0.00 176.35 175.28 3n9l n PRO 472 N 4.29 1.41 0.19 1.29 -0.02 -1.26 -4.90 135.00 136.01 3n9l n PRO 472 Ca -0.23 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 3n9l n PRO 472 Cb 0.50 -1.93 0.39 0.00 -0.02 0.00 0.00 33.50 32.45 3n9l n PRO 472 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n9l h GLU 473 N 2.48 0.00 0.00 -0.52 4.57 -2.00 -1.96 114.58 117.15 3n9l h GLU 473 Ca -0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3n9l h GLU 473 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3n9l h GLU 473 CO 0.64 0.33 0.00 -0.40 -1.18 0.00 0.00 179.01 178.40 3n9l n ASP 474 N -4.13 0.00 -0.04 1.04 3.85 -1.26 -2.72 116.55 113.29 3n9l n ASP 474 Ca -0.02 -0.86 0.02 0.00 -0.71 0.00 0.00 54.79 53.22 3n9l n ASP 474 Cb 0.37 -0.01 -0.14 0.00 -1.35 0.00 0.00 41.12 39.99 3n9l n ASP 474 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3n9l n GLN 475 N -1.01 0.83 -1.77 0.11 6.02 -0.75 -4.99 117.38 115.82 3n9l n GLN 475 Ca 0.21 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 3n9l n GLN 475 Cb 0.11 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 3n9l n GLN 475 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3n9l s ARG 476 N -2.92 4.13 -0.20 -1.09 3.52 -1.10 -4.88 118.95 116.41 3n9l s ARG 476 Ca -0.07 2.57 -0.29 0.00 -0.13 0.00 0.00 55.73 57.81 3n9l s ARG 476 Cb 0.09 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.41 3n9l s ARG 476 CO 0.74 -0.66 1.49 -2.14 -0.81 0.00 0.00 175.30 173.92 3n9l s PRO 477 N 0.05 3.97 -1.05 5.12 0.02 -1.26 -4.95 135.00 136.90 3n9l s PRO 477 Ca 0.67 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 63.23 3n9l s PRO 477 Cb -0.48 -3.94 0.20 0.00 0.02 0.00 0.00 34.50 30.30 3n9l s PRO 477 CO 0.43 -1.07 1.14 0.15 -0.33 0.00 0.00 177.00 177.32 3n9l s LYS 478 N 4.24 3.93 0.00 5.54 1.02 -1.26 -4.65 119.74 128.56 3n9l s LYS 478 Ca 0.66 -2.58 0.00 0.00 0.02 0.00 0.00 55.97 54.07 3n9l s LYS 478 Cb -0.24 -4.76 0.00 0.00 -0.52 0.00 0.00 37.83 32.31 3n9l s LYS 478 CO 0.25 -1.52 0.32 1.33 -0.92 0.00 0.00 175.35 174.81 3n9l n VAL 479 N 4.11 0.02 0.99 3.17 0.24 -1.26 -4.87 118.33 120.72 3n9l n VAL 479 Ca 0.26 -0.03 0.11 0.00 -2.04 0.00 0.00 64.34 62.64 3n9l n VAL 479 Cb 0.44 1.37 0.13 0.00 -1.47 0.00 0.00 33.84 34.31 3n9l n VAL 479 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3n9l n GLU 480 N -0.01 0.01 -3.53 7.34 2.13 -1.24 -0.23 120.64 125.12 3n9l n GLU 480 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 3n9l n GLU 480 Cb 0.39 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.48 3n9l n GLU 480 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3n9l s GLN 481 N -3.01 1.08 0.09 5.31 -0.21 -1.26 -4.21 119.66 117.45 3n9l s GLN 481 Ca 0.10 -2.06 0.01 0.00 0.02 0.00 0.00 55.36 53.43 3n9l s GLN 481 Cb 0.17 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.34 3n9l s GLN 481 CO 0.76 -1.29 0.19 -0.06 -2.12 0.00 0.00 175.29 172.76 3n9l s PHE 482 N 0.16 3.42 -0.11 0.91 0.08 0.47 -1.84 117.98 121.06 3n9l s PHE 482 Ca 0.26 0.17 0.03 0.00 0.12 0.00 0.00 56.93 57.51 3n9l s PHE 482 Cb -0.08 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3n9l s PHE 482 CO -0.11 0.56 -0.22 0.00 -0.10 0.00 0.00 175.22 175.35 3n9l s LEU 484 N 0.59 2.01 -0.05 0.00 1.02 0.11 -3.67 118.68 118.70 3n9l s LEU 484 Ca -0.13 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.53 3n9l s LEU 484 Cb -0.17 -1.30 0.01 0.00 0.02 0.00 0.00 46.19 44.75 3n9l s LEU 484 CO 0.04 0.15 -0.10 0.00 0.02 0.00 0.00 176.35 176.46 3n9l s ALA 485 N 0.32 1.03 -0.03 4.21 0.00 -1.07 0.90 121.76 127.11 3n9l s ALA 485 Ca -0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 3n9l s ALA 485 Cb -0.17 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.51 3n9l s ALA 485 CO 0.07 0.11 0.16 0.20 0.00 0.00 0.00 175.76 176.31 3n9l s GLY 486 N 0.50 -0.05 0.43 0.00 0.00 -0.64 -1.74 107.32 105.83 3n9l s GLY 486 Ca -0.09 0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 3n9l s GLY 486 CO 0.02 0.10 0.97 1.06 0.00 0.00 0.00 173.10 175.25 3n9l s MET 487 N -0.63 4.17 0.26 2.90 -1.94 -1.00 -1.02 119.30 122.04 3n9l s MET 487 Ca -0.07 1.21 -0.31 0.00 -1.71 0.00 0.00 55.69 54.81 3n9l s MET 487 Cb -0.04 -2.24 -0.12 0.00 2.01 0.00 0.00 34.83 34.44 3n9l s MET 487 CO 0.01 -0.09 1.59 0.00 -0.01 0.00 0.00 175.02 176.52 3n9l n ALA 488 N -0.57 2.29 -0.17 3.03 0.00 -1.26 -1.42 120.51 122.41 3n9l n ALA 488 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3n9l n ALA 488 Cb 0.53 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3n9l n ALA 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n9l n GLY 489 N 2.63 0.59 3.76 0.00 0.00 0.23 -4.90 105.19 107.50 3n9l n GLY 489 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3n9l n GLY 489 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n9l s SER 490 N -2.93 5.54 -0.13 1.61 0.01 -0.51 -4.86 113.70 112.43 3n9l s SER 490 Ca 0.00 2.42 -0.05 0.00 1.31 0.00 0.00 55.95 59.63 3n9l s SER 490 Cb 0.00 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.69 3n9l s SER 490 CO 0.00 -1.36 0.26 -0.47 0.41 0.00 0.00 173.24 172.08 3n9l s TYR 491 N -1.53 -0.42 -0.20 2.43 5.04 -1.26 -0.76 117.35 120.65 3n9l s TYR 491 Ca 0.72 0.96 -0.07 0.00 -2.44 0.00 0.00 57.07 56.24 3n9l s TYR 491 Cb -0.31 -0.02 -0.04 0.00 0.35 0.00 0.00 41.96 41.94 3n9l s TYR 491 CO 0.36 -0.34 0.05 0.99 -1.34 0.00 0.00 175.55 175.26 3n9l s THR 492 N 2.29 4.51 0.79 4.34 2.01 -0.11 -4.94 115.64 124.54 3n9l s THR 492 Ca 0.00 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 3n9l s THR 492 Cb -0.12 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.42 3n9l s THR 492 CO -0.09 0.43 1.14 -0.62 -0.69 0.00 0.00 174.62 174.80 3n9l s ASP 493 N 0.70 4.63 0.45 3.53 2.15 -1.26 -1.10 116.67 125.77 3n9l s ASP 493 Ca 0.02 0.95 -0.23 0.00 0.43 0.00 0.00 52.55 53.73 3n9l s ASP 493 Cb -0.13 -1.57 -0.10 0.00 -0.30 0.00 0.00 42.92 40.82 3n9l s ASP 493 CO 0.02 -1.84 0.88 0.49 -0.17 0.00 0.00 175.17 174.55 3n9l n PHE 494 N -3.30 0.69 -3.70 -5.34 3.01 -1.25 -4.56 117.46 103.00 3n9l n PHE 494 Ca 0.07 0.55 0.03 0.00 1.01 0.00 0.00 57.45 59.11 3n9l n PHE 494 Cb 0.59 -2.15 0.00 0.00 -0.01 0.00 0.00 39.48 37.91 3n9l n PHE 494 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 3n9l s HIS 495 N -1.36 -0.01 -0.13 1.38 -3.43 -0.63 -4.91 115.29 106.19 3n9l s HIS 495 Ca 0.65 -0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.89 3n9l s HIS 495 Cb -0.55 0.53 0.01 0.00 -1.43 0.00 0.00 32.58 31.14 3n9l s HIS 495 CO 0.56 -0.14 -0.21 0.08 -2.00 0.00 0.00 174.74 173.03 3n9l s VAL 496 N -2.15 1.94 0.23 -5.38 1.01 -1.26 -1.03 120.40 113.76 3n9l s VAL 496 Ca 0.19 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 3n9l s VAL 496 Cb 0.05 -1.72 -0.14 0.00 0.00 0.00 0.00 36.38 34.56 3n9l s VAL 496 CO -0.04 0.53 1.31 0.47 0.00 0.00 0.00 175.10 177.37 3n9l n ASP 497 N 4.11 2.29 -4.69 3.32 10.43 -1.26 -4.82 116.55 125.93 3n9l n ASP 497 Ca -0.20 1.15 -0.43 0.00 2.57 0.00 0.00 54.79 57.88 3n9l n ASP 497 Cb 0.51 -1.36 -0.01 0.00 1.84 0.00 0.00 41.12 42.10 3n9l n ASP 497 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3n9l n PHE 498 N 1.65 2.18 -0.98 1.24 1.16 -1.26 -1.61 117.46 119.84 3n9l n PHE 498 Ca 0.12 0.55 0.00 0.00 -1.87 0.00 0.00 57.45 56.25 3n9l n PHE 498 Cb 0.30 -2.41 0.00 0.00 -1.61 0.00 0.00 39.48 35.76 3n9l n PHE 498 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3n9l n GLY 499 N 1.01 0.72 2.55 4.97 0.00 -1.26 -2.71 105.19 110.48 3n9l n GLY 499 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3n9l n GLY 499 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n9l n GLY 500 N -2.36 -0.35 3.76 -0.02 0.00 -0.63 -4.64 105.19 100.95 3n9l n GLY 500 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3n9l n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n9l s SER 501 N -2.44 5.00 0.61 1.61 1.04 -1.10 -4.21 113.70 114.21 3n9l s SER 501 Ca 0.11 2.19 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 3n9l s SER 501 Cb -0.05 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.53 3n9l s SER 501 CO 0.14 -1.71 0.90 -0.44 0.98 0.00 0.00 173.24 173.11 3n9l s SER 502 N -2.13 5.27 -0.03 7.02 0.01 0.97 -4.51 113.70 120.31 3n9l s SER 502 Ca 0.72 0.44 -0.02 0.00 1.31 0.00 0.00 55.95 58.40 3n9l s SER 502 Cb -0.25 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.68 3n9l s SER 502 CO 0.38 -1.24 0.06 -0.69 0.41 0.00 0.00 173.24 172.16 3n9l s VAL 503 N -3.00 -0.02 0.09 3.43 1.01 0.66 -1.26 120.40 121.32 3n9l s VAL 503 Ca 0.56 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.64 3n9l s VAL 503 Cb -0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3n9l s VAL 503 CO 0.43 0.02 0.04 -0.72 0.00 0.00 0.00 175.10 174.88 3n9l s TYR 504 N 0.35 3.08 -0.27 5.22 -0.85 -0.71 -0.92 117.35 123.25 3n9l s TYR 504 Ca -0.03 0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 56.53 3n9l s TYR 504 Cb -0.04 -1.56 0.16 0.00 0.38 0.00 0.00 41.96 40.90 3n9l s TYR 504 CO -0.01 0.50 0.46 -0.47 -1.52 0.00 0.00 175.55 174.51 3n9l s TYR 505 N -1.39 -1.18 -0.21 -3.49 5.04 -0.59 -1.20 117.35 114.34 3n9l s TYR 505 Ca 0.28 0.96 -0.01 0.00 -2.44 0.00 0.00 57.07 55.85 3n9l s TYR 505 Cb -0.12 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.35 3n9l s TYR 505 CO 0.20 -0.86 -0.11 -1.58 -1.34 0.00 0.00 175.55 171.86 3n9l s HIS 506 N 2.66 2.90 -0.53 4.97 5.65 0.15 -0.35 115.29 130.73 3n9l s HIS 506 Ca 0.14 -1.32 -0.29 0.00 0.25 0.00 0.00 55.06 53.84 3n9l s HIS 506 Cb -0.14 -2.02 0.03 0.00 -1.18 0.00 0.00 32.58 29.27 3n9l s HIS 506 CO -0.22 -0.68 1.18 0.42 -0.65 0.00 0.00 174.74 174.79 3n9l s ILE 507 N 1.38 4.09 -0.04 0.89 1.09 -0.76 -1.21 121.20 126.64 3n9l s ILE 507 Ca 0.05 1.04 -0.22 0.00 -1.10 0.00 0.00 60.65 60.42 3n9l s ILE 507 Cb -0.14 -4.65 -0.28 0.00 -1.06 0.00 0.00 42.46 36.32 3n9l s ILE 507 CO -0.07 -1.18 0.96 0.25 -0.10 0.00 0.00 174.94 174.80 3n9l h LEU 508 N 11.66 0.46 -7.75 2.97 5.85 -1.45 0.26 115.31 127.31 3n9l h LEU 508 Ca -0.24 -0.89 -0.17 0.00 0.84 0.00 0.00 57.88 57.42 3n9l h LEU 508 Cb 1.06 -0.15 -0.23 0.00 0.37 0.00 0.00 40.66 41.72 3n9l h LEU 508 CO 1.16 1.31 -0.56 -0.54 -0.34 0.00 0.00 178.44 179.47 3n9l s LYS 509 N -2.69 0.35 0.54 1.25 1.02 -0.68 -4.37 119.74 115.16 3n9l s LYS 509 Ca -0.14 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.58 3n9l s LYS 509 Cb 0.01 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3n9l s LYS 509 CO 0.82 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 3n9l n GLY 510 N 1.95 0.29 3.58 -3.33 0.00 -1.25 -0.44 105.19 105.99 3n9l n GLY 510 Ca -0.20 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 3n9l n GLY 510 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n9l s GLU 511 N 0.00 0.83 0.00 1.61 2.12 -1.26 -2.43 118.70 119.57 3n9l s GLU 511 Ca 0.00 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.91 3n9l s GLU 511 Cb 0.00 0.40 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 3n9l s GLU 511 CO 0.00 -0.19 -0.10 0.15 -0.54 0.00 0.00 175.26 174.58 3n9l s LYS 512 N -0.41 0.79 -0.22 4.30 -0.14 -0.24 -3.85 119.74 119.96 3n9l s LYS 512 Ca -0.04 -0.45 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 3n9l s LYS 512 Cb -0.03 -0.75 0.04 0.00 -1.68 0.00 0.00 37.83 35.41 3n9l s LYS 512 CO 0.03 0.20 -0.14 0.42 -0.76 0.00 0.00 175.35 175.10 3n9l s ILE 513 N -0.43 2.26 -0.03 2.17 1.01 -0.44 -0.01 121.20 125.72 3n9l s ILE 513 Ca 0.02 -1.21 -0.10 0.00 0.00 0.00 0.00 60.65 59.36 3n9l s ILE 513 Cb -0.05 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3n9l s ILE 513 CO -0.00 0.26 0.29 -0.36 0.00 0.00 0.00 174.94 175.13 3n9l s PHE 514 N 1.23 3.64 -0.29 3.97 0.40 -0.39 -0.55 117.98 125.99 3n9l s PHE 514 Ca -0.01 0.73 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 3n9l s PHE 514 Cb -0.16 -2.10 0.06 0.00 0.51 0.00 0.00 43.02 41.33 3n9l s PHE 514 CO -0.08 0.66 -0.03 0.71 0.70 0.00 0.00 175.22 177.18 3n9l s TYR 515 N -1.13 3.33 0.16 0.36 2.02 0.40 -1.64 117.35 120.85 3n9l s TYR 515 Ca 0.22 -2.18 0.10 0.00 -0.37 0.00 0.00 57.07 54.85 3n9l s TYR 515 Cb -0.14 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 3n9l s TYR 515 CO 0.11 -0.86 -0.21 0.96 -1.57 0.00 0.00 175.55 173.98 3n9l s ILE 516 N 1.16 2.55 -0.01 2.71 -4.36 -0.26 -1.04 121.20 121.95 3n9l s ILE 516 Ca -0.04 -1.81 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3n9l s ILE 516 Cb -0.20 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3n9l s ILE 516 CO -0.03 -0.03 -0.01 0.00 0.24 0.00 0.00 174.94 175.11 3n9l s ALA 517 N -1.44 0.24 0.68 2.27 0.00 0.07 -0.32 121.76 123.27 3n9l s ALA 517 Ca 0.19 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 3n9l s ALA 517 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3n9l s ALA 517 CO 0.10 -0.01 1.14 0.00 0.00 0.00 0.00 175.76 176.99 3n9l n ALA 518 N 3.54 0.47 -1.64 0.00 0.00 -1.26 -2.29 120.51 119.33 3n9l n ALA 518 Ca -0.19 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3n9l n ALA 518 Cb 0.55 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 3n9l n ALA 518 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3n9l n PRO 519 N -1.95 3.14 -3.69 0.00 -0.05 -1.26 -4.75 135.00 126.45 3n9l n PRO 519 Ca 0.15 -2.53 -0.20 0.00 -0.05 0.00 0.00 63.50 60.86 3n9l n PRO 519 Cb 0.49 -3.13 -0.01 0.00 -0.05 0.00 0.00 33.50 30.79 3n9l n PRO 519 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3n9l s THR 520 N 2.75 4.47 0.21 0.52 -4.23 -1.26 -4.97 115.64 113.13 3n9l s THR 520 Ca 0.53 -1.03 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 3n9l s THR 520 Cb 0.15 -3.55 0.16 0.00 1.34 0.00 0.00 72.50 70.59 3n9l s THR 520 CO -0.08 -0.23 1.85 -0.33 -0.54 0.00 0.00 174.62 175.29 3n9l h GLU 521 N 1.03 1.05 -0.38 3.99 4.39 -1.99 -0.29 114.58 122.38 3n9l h GLU 521 Ca -0.48 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.15 3n9l h GLU 521 Cb 1.25 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 3n9l h GLU 521 CO 0.56 0.75 0.20 0.37 -1.16 0.00 0.00 179.01 179.73 3n9l h GLN 522 N 1.06 0.39 -0.15 2.33 4.15 -1.96 -0.75 115.11 120.17 3n9l h GLN 522 Ca 0.28 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 3n9l h GLN 522 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3n9l h GLN 522 CO -0.05 0.26 -0.35 -0.91 -1.93 0.00 0.00 178.83 175.85 3n9l h ASN 523 N 0.40 0.32 -0.26 -0.69 2.35 -1.75 -1.89 115.58 114.06 3n9l h ASN 523 Ca 0.16 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 3n9l h ASN 523 Cb 0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3n9l h ASN 523 CO -0.10 0.66 -0.34 -0.26 -1.65 0.00 0.00 177.43 175.73 3n9l h PHE 524 N 0.27 0.93 -0.68 1.19 0.04 -0.76 0.57 116.94 118.50 3n9l h PHE 524 Ca 0.03 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.51 3n9l h PHE 524 Cb 0.75 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3n9l h PHE 524 CO 0.02 1.02 0.29 0.00 -0.60 0.00 0.00 178.31 179.04 3n9l h ALA 525 N 0.95 0.88 -0.20 2.45 0.00 -0.89 0.22 119.26 122.68 3n9l h ALA 525 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3n9l h ALA 525 Cb 0.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3n9l h ALA 525 CO 0.08 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 3n9l h ALA 526 N 1.13 0.28 -0.15 0.00 0.00 -1.22 -2.26 119.26 117.04 3n9l h ALA 526 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3n9l h ALA 526 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3n9l h ALA 526 CO -0.02 0.08 0.07 -0.92 0.00 0.00 0.00 179.25 178.45 3n9l h TYR 527 N 0.10 0.22 -0.98 0.00 3.20 -0.70 -0.06 116.97 118.75 3n9l h TYR 527 Ca 0.05 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3n9l h TYR 527 Cb 0.54 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 3n9l h TYR 527 CO 0.06 0.26 0.63 0.37 -1.64 0.00 0.00 178.16 177.84 3n9l h GLN 528 N 0.11 1.06 -0.09 1.82 4.15 -0.58 -0.07 115.11 121.51 3n9l h GLN 528 Ca 0.05 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3n9l h GLN 528 Cb 0.13 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3n9l h GLN 528 CO -0.01 0.70 -0.01 0.00 -1.93 0.00 0.00 178.83 177.59 3n9l h ALA 529 N 1.47 0.12 -0.91 3.38 0.00 -1.17 -2.05 119.26 120.10 3n9l h ALA 529 Ca 0.44 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.35 3n9l h ALA 529 Cb 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 3n9l h ALA 529 CO -0.20 -0.19 0.47 1.25 0.00 0.00 0.00 179.25 180.58 3n9l h HIS 530 N -0.14 0.81 0.11 0.00 -0.00 -0.20 0.50 115.15 116.24 3n9l h HIS 530 Ca 0.02 0.04 -0.27 0.00 -0.00 0.00 0.00 60.37 60.16 3n9l h HIS 530 Cb 0.37 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3n9l h HIS 530 CO 0.04 0.11 -1.20 1.49 -0.00 0.00 0.00 177.93 178.37 3n9l h GLU 531 N 0.58 0.27 0.00 5.26 4.57 -0.94 -3.24 114.58 121.08 3n9l h GLU 531 Ca 0.53 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3n9l h GLU 531 Cb 0.87 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3n9l h GLU 531 CO -0.43 1.20 -0.74 1.79 -1.18 0.00 0.00 179.01 179.65 3n9l h THR 532 N 0.09 0.10 -3.49 0.32 1.35 -0.85 -3.46 112.91 106.97 3n9l h THR 532 Ca -0.12 -1.16 -0.53 0.00 -0.55 0.00 0.00 66.41 64.05 3n9l h THR 532 Cb 1.92 1.74 0.06 0.00 -1.73 0.00 0.00 68.15 70.14 3n9l h THR 532 CO 0.20 0.06 0.75 -0.55 -0.25 0.00 0.00 175.52 175.72 3n9l s SER 533 N -5.70 6.63 0.23 5.36 0.15 0.17 -4.89 113.70 115.66 3n9l s SER 533 Ca 0.02 2.71 0.24 0.00 0.70 0.00 0.00 55.95 59.62 3n9l s SER 533 Cb 0.08 -2.63 0.93 0.00 -1.71 0.00 0.00 66.02 62.69 3n9l s SER 533 CO 0.76 -0.70 1.73 -2.65 1.20 0.00 0.00 173.24 173.57 3n9l n PRO 534 N 1.96 0.20 -1.00 5.44 -0.02 -1.26 -4.83 135.00 135.49 3n9l n PRO 534 Ca 0.05 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 3n9l n PRO 534 Cb 0.40 -1.83 0.11 0.00 -0.02 0.00 0.00 33.50 32.16 3n9l n PRO 534 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3n9l n ASP 535 N -2.21 -1.00 0.00 2.55 2.03 -1.26 -4.93 116.55 111.73 3n9l n ASP 535 Ca 0.03 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.81 3n9l n ASP 535 Cb 0.29 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 3n9l n ASP 535 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3n9l n THR 536 N -3.20 0.00 0.52 5.18 5.66 -1.26 -4.87 114.28 116.31 3n9l n THR 536 Ca 0.09 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.17 3n9l n THR 536 Cb 0.52 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 70.03 3n9l n THR 536 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3n9l n THR 537 N 0.00 0.00 -3.55 1.09 -2.24 -1.26 -2.05 114.28 106.27 3n9l n THR 537 Ca 0.00 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.19 3n9l n THR 537 Cb 0.08 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 3n9l n THR 537 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n9l s THR 538 N -2.68 5.29 0.19 4.28 2.01 -1.26 -4.67 115.64 118.79 3n9l s THR 538 Ca 0.02 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 3n9l s THR 538 Cb 0.11 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 3n9l s THR 538 CO 0.66 0.14 1.30 0.86 -0.69 0.00 0.00 174.62 176.88 3n9l s TRP 539 N 1.78 3.27 0.30 4.92 -0.00 -1.26 -4.91 118.94 123.04 3n9l s TRP 539 Ca 0.07 1.22 0.03 0.00 -0.00 0.00 0.00 56.10 57.43 3n9l s TRP 539 Cb -0.16 -3.59 0.63 0.00 -0.00 0.00 0.00 33.47 30.35 3n9l s TRP 539 CO 0.11 -1.84 1.83 0.35 -0.00 0.00 0.00 176.95 177.40 3n9l h PHE 540 N 5.50 1.08 -0.95 5.86 3.57 -1.98 -1.71 116.94 128.31 3n9l h PHE 540 Ca -0.44 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.21 3n9l h PHE 540 Cb 1.21 -0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.53 3n9l h PHE 540 CO 0.62 0.39 0.58 0.78 -2.23 0.00 0.00 178.31 178.45 3n9l h GLY 541 N 0.91 1.56 2.00 2.40 0.00 -1.99 -1.91 103.07 106.04 3n9l h GLY 541 Ca 0.50 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3n9l h GLY 541 CO -0.27 0.10 -0.05 -0.55 0.00 0.00 0.00 176.54 175.77 3n9l h ASP 542 N 0.89 0.00 -0.14 0.19 3.45 -1.70 -2.80 116.42 116.31 3n9l h ASP 542 Ca 0.48 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.93 3n9l h ASP 542 Cb 0.53 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3n9l h ASP 542 CO -0.29 0.05 -0.03 2.30 -1.57 0.00 0.00 179.24 179.70 3n9l n ILE 543 N -3.27 2.13 0.24 0.35 -5.35 -0.74 -4.62 119.36 108.10 3n9l n ILE 543 Ca -0.01 -2.20 0.06 0.00 -0.27 0.00 0.00 62.75 60.34 3n9l n ILE 543 Cb 0.23 -0.25 0.10 0.00 -1.74 0.00 0.00 39.64 37.98 3n9l n ILE 543 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n9l n ALA 544 N -1.01 2.37 -3.24 -1.28 0.00 -1.06 -5.00 120.51 111.29 3n9l n ALA 544 Ca 0.20 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 3n9l n ALA 544 Cb 0.78 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.84 3n9l n ALA 544 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3n9l n ASN 545 N 0.71 -3.33 -1.20 0.00 5.15 -1.26 -2.62 115.26 112.70 3n9l n ASN 545 Ca 0.10 -0.48 -0.13 0.00 -0.60 0.00 0.00 54.58 53.47 3n9l n ASN 545 Cb 0.38 -4.21 -0.04 0.00 -0.53 0.00 0.00 39.78 35.37 3n9l n ASN 545 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3n9l n GLY 546 N -1.33 0.80 0.07 8.20 0.00 -1.26 -4.89 105.19 106.77 3n9l n GLY 546 Ca -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 3n9l n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n9l h ALA 547 N 0.24 0.31 -2.31 4.61 0.00 -1.82 -3.46 119.26 116.84 3n9l h ALA 547 Ca -0.29 -0.93 -0.55 0.00 0.00 0.00 0.00 54.91 53.14 3n9l h ALA 547 Cb 1.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3n9l h ALA 547 CO 0.39 1.21 0.59 0.08 0.00 0.00 0.00 179.25 181.52 3n9l s VAL 548 N -2.69 4.55 0.22 0.00 1.01 -1.26 -4.43 120.40 117.80 3n9l s VAL 548 Ca -0.00 1.84 0.11 0.00 0.00 0.00 0.00 61.98 63.92 3n9l s VAL 548 Cb 0.09 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3n9l s VAL 548 CO 0.83 0.03 -0.17 -0.54 0.00 0.00 0.00 175.10 175.25 3n9l s LYS 549 N 1.92 1.77 -0.18 2.72 -0.14 0.57 -4.44 119.74 121.96 3n9l s LYS 549 Ca 0.52 -1.51 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 3n9l s LYS 549 Cb -0.22 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 3n9l s LYS 549 CO 0.21 0.39 0.02 0.50 -0.76 0.00 0.00 175.35 175.71 3n9l s ARG 550 N -3.01 3.77 -0.05 1.68 3.52 0.23 -1.10 118.95 124.00 3n9l s ARG 550 Ca 0.25 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 3n9l s ARG 550 Cb -0.07 -3.09 0.03 0.00 -1.56 0.00 0.00 34.95 30.26 3n9l s ARG 550 CO 0.13 0.17 0.08 0.54 -0.81 0.00 0.00 175.30 175.41 3n9l s VAL 551 N 0.60 -0.13 0.02 7.11 0.11 -0.65 -4.27 120.40 123.18 3n9l s VAL 551 Ca 0.00 0.39 -0.16 0.00 -2.93 0.00 0.00 61.98 59.28 3n9l s VAL 551 Cb -0.14 -0.19 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 3n9l s VAL 551 CO 0.02 0.15 0.46 -0.69 -3.33 0.00 0.00 175.10 171.71 3n9l s VAL 552 N 2.19 4.94 -0.07 2.04 1.01 -1.26 -1.27 120.40 127.98 3n9l s VAL 552 Ca 0.05 0.96 0.04 0.00 0.00 0.00 0.00 61.98 63.03 3n9l s VAL 552 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3n9l s VAL 552 CO -0.04 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 174.80 3n9l s ILE 553 N -1.06 1.68 0.43 2.22 1.09 0.98 -4.99 121.20 121.56 3n9l s ILE 553 Ca 0.25 -0.82 0.07 0.00 -1.10 0.00 0.00 60.65 59.05 3n9l s ILE 553 Cb -0.18 -1.46 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 3n9l s ILE 553 CO 0.15 0.48 0.22 -0.54 -0.10 0.00 0.00 174.94 175.15 3n9l s LYS 554 N 0.25 2.26 0.02 2.79 1.02 -1.26 -1.08 119.74 123.74 3n9l s LYS 554 Ca -0.11 -1.86 -0.39 0.00 0.02 0.00 0.00 55.97 53.62 3n9l s LYS 554 Cb -0.15 -2.01 -0.18 0.00 -0.52 0.00 0.00 37.83 34.96 3n9l s LYS 554 CO 0.05 -0.20 1.24 -1.91 -0.92 0.00 0.00 175.35 173.61 3n9l n GLU 555 N -1.34 0.61 0.00 1.68 2.13 -1.02 -1.16 120.64 121.55 3n9l n GLU 555 Ca -0.02 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3n9l n GLU 555 Cb 0.64 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.56 3n9l n GLU 555 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3n9l n GLY 556 N 2.16 3.20 3.88 8.31 0.00 0.91 -5.03 105.19 118.62 3n9l n GLY 556 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3n9l n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n9l s GLN 557 N -0.48 3.54 -0.02 1.61 -0.21 -0.30 -4.44 119.66 119.35 3n9l s GLN 557 Ca 0.00 0.57 0.03 0.00 0.02 0.00 0.00 55.36 55.98 3n9l s GLN 557 Cb 0.00 -2.16 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 3n9l s GLN 557 CO 0.00 -0.49 -0.10 0.99 -2.12 0.00 0.00 175.29 173.57 3n9l s THR 558 N -3.06 0.81 -0.11 -0.19 2.01 0.49 -1.84 115.64 113.76 3n9l s THR 558 Ca 0.53 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.14 3n9l s THR 558 Cb -0.11 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 3n9l s THR 558 CO 0.51 0.24 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.34 3n9l s LEU 559 N 0.02 2.78 -0.27 4.42 2.96 0.53 0.04 118.68 129.17 3n9l s LEU 559 Ca -0.00 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3n9l s LEU 559 Cb -0.07 -1.61 0.06 0.00 0.50 0.00 0.00 46.19 45.07 3n9l s LEU 559 CO 0.00 0.22 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.40 3n9l s LEU 560 N 0.03 3.56 -0.20 -0.68 1.43 0.99 -1.54 118.68 122.28 3n9l s LEU 560 Ca -0.04 -1.42 -0.04 0.00 -1.03 0.00 0.00 54.13 51.61 3n9l s LEU 560 Cb -0.14 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3n9l s LEU 560 CO 0.04 -0.21 -0.04 -0.63 0.23 0.00 0.00 176.35 175.75 3n9l s ILE 561 N 1.11 3.59 0.42 -0.59 1.01 -0.09 -1.43 121.20 125.21 3n9l s ILE 561 Ca -0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3n9l s ILE 561 Cb -0.20 -2.61 0.10 0.00 0.01 0.00 0.00 42.46 39.76 3n9l s ILE 561 CO -0.05 0.44 0.58 -0.81 0.00 0.00 0.00 174.94 175.10 3n9l n PRO 562 N 4.33 -0.50 -1.93 2.79 -0.04 -1.26 -0.25 135.00 138.14 3n9l n PRO 562 Ca -0.18 -0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 61.96 3n9l n PRO 562 Cb 0.52 -0.58 0.01 0.00 -0.04 0.00 0.00 33.50 33.41 3n9l n PRO 562 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3n9l s ALA 563 N -3.90 3.08 0.00 0.55 0.00 -1.26 -3.93 121.76 116.29 3n9l s ALA 563 Ca 0.33 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3n9l s ALA 563 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3n9l s ALA 563 CO 0.23 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3n9l n GLY 564 N 0.63 2.99 3.68 0.00 0.00 -1.26 -4.85 105.19 106.39 3n9l n GLY 564 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 3n9l n GLY 564 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3n9l n TRP 565 N -0.28 2.34 -2.80 1.61 7.02 -1.25 -4.47 117.44 119.61 3n9l n TRP 565 Ca 0.00 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 3n9l n TRP 565 Cb 0.00 -2.66 -0.05 0.00 -2.42 0.00 0.00 31.31 26.18 3n9l n TRP 565 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3n9l s ILE 566 N 3.61 4.53 -0.10 -0.99 1.01 -0.97 -4.54 121.20 123.75 3n9l s ILE 566 Ca 0.90 1.96 -0.21 0.00 0.00 0.00 0.00 60.65 63.30 3n9l s ILE 566 Cb -0.67 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 37.58 3n9l s ILE 566 CO 0.49 0.34 0.51 -1.38 0.00 0.00 0.00 174.94 174.90 3n9l s HIS 567 N -0.11 -0.48 0.36 3.97 -3.43 -0.20 -0.75 115.29 114.65 3n9l s HIS 567 Ca 0.44 0.98 0.09 0.00 -0.80 0.00 0.00 55.06 55.77 3n9l s HIS 567 Cb -0.23 0.23 -0.06 0.00 -1.43 0.00 0.00 32.58 31.09 3n9l s HIS 567 CO 0.28 -0.41 -0.04 0.00 -2.00 0.00 0.00 174.74 172.57 3n9l s ALA 568 N -0.66 3.09 -0.14 -1.38 0.00 -0.20 -1.60 121.76 120.87 3n9l s ALA 568 Ca -0.07 -2.09 -0.08 0.00 0.00 0.00 0.00 51.96 49.71 3n9l s ALA 568 Cb -0.03 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.02 3n9l s ALA 568 CO 0.05 0.03 0.35 0.54 0.00 0.00 0.00 175.76 176.73 3n9l s VAL 569 N -2.60 -0.03 -0.09 0.00 0.11 -0.26 -0.45 120.40 117.08 3n9l s VAL 569 Ca 0.34 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.47 3n9l s VAL 569 Cb 0.03 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3n9l s VAL 569 CO 0.18 0.04 -0.00 -0.22 -3.33 0.00 0.00 175.10 171.77 3n9l s LEU 570 N 1.16 3.56 -0.53 2.54 2.96 0.29 -0.94 118.68 127.73 3n9l s LEU 570 Ca -0.08 0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3n9l s LEU 570 Cb -0.08 -1.82 0.14 0.00 0.50 0.00 0.00 46.19 44.93 3n9l s LEU 570 CO -0.09 0.37 0.35 -0.89 -1.32 0.00 0.00 176.35 174.77 3n9l s THR 571 N -0.81 3.73 -0.17 3.68 2.01 0.06 -1.33 115.64 122.80 3n9l s THR 571 Ca 0.12 -2.41 0.29 0.00 0.31 0.00 0.00 61.69 60.01 3n9l s THR 571 Cb -0.11 -3.47 0.35 0.00 0.01 0.00 0.00 72.50 69.27 3n9l s THR 571 CO 0.02 -0.80 1.85 -0.65 -0.69 0.00 0.00 174.62 174.35 3n9l h PRO 572 N 7.68 0.00 -3.03 4.92 0.11 -1.85 0.67 132.00 140.49 3n9l h PRO 572 Ca -0.08 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 3n9l h PRO 572 Cb 1.01 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.90 3n9l h PRO 572 CO 0.73 0.00 -0.32 0.08 -0.21 0.00 0.00 178.00 178.29 3n9l s VAL 573 N -3.47 0.03 -0.11 3.15 1.01 -1.26 -4.34 120.40 115.41 3n9l s VAL 573 Ca 0.03 -0.27 -0.40 0.00 0.00 0.00 0.00 61.98 61.34 3n9l s VAL 573 Cb 0.09 -0.53 -0.18 0.00 0.00 0.00 0.00 36.38 35.76 3n9l s VAL 573 CO 0.54 -0.15 1.37 0.47 0.00 0.00 0.00 175.10 177.33 3n9l n ASP 574 N 2.03 1.18 -4.04 3.32 10.43 -1.26 -4.23 116.55 123.98 3n9l n ASP 574 Ca -0.18 1.14 -0.12 0.00 2.57 0.00 0.00 54.79 58.20 3n9l n ASP 574 Cb 0.57 -1.04 -0.11 0.00 1.84 0.00 0.00 41.12 42.37 3n9l n ASP 574 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3n9l s SER 575 N 1.31 0.68 -0.11 -2.24 0.01 -0.19 -3.91 113.70 109.24 3n9l s SER 575 Ca 0.92 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.66 3n9l s SER 575 Cb -1.17 0.05 0.02 0.00 0.21 0.00 0.00 66.02 65.14 3n9l s SER 575 CO 0.59 -0.23 -0.10 -0.22 0.41 0.00 0.00 173.24 173.69 3n9l s LEU 576 N -1.53 1.41 0.05 2.44 2.96 0.41 -1.62 118.68 122.80 3n9l s LEU 576 Ca -0.12 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3n9l s LEU 576 Cb -0.10 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 3n9l s LEU 576 CO 0.00 -0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.11 3n9l s VAL 577 N 1.45 1.30 -0.10 1.68 1.01 0.26 -1.12 120.40 124.88 3n9l s VAL 577 Ca 0.01 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3n9l s VAL 577 Cb -0.13 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 3n9l s VAL 577 CO -0.07 0.01 -0.23 -0.36 0.00 0.00 0.00 175.10 174.45 3n9l s PHE 578 N -0.94 2.56 0.00 5.22 0.40 -0.35 0.08 117.98 124.95 3n9l s PHE 578 Ca 0.03 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 3n9l s PHE 578 Cb -0.09 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.74 3n9l s PHE 578 CO 0.02 -0.38 0.00 0.41 0.70 0.00 0.00 175.22 175.97 3n9l n GLY 579 N 3.45 2.91 3.61 4.36 0.00 -0.86 0.29 105.19 118.94 3n9l n GLY 579 Ca -0.19 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 3n9l n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n9l s GLY 580 N -0.88 -0.15 -0.06 -0.02 0.00 -0.34 -0.40 107.32 105.48 3n9l s GLY 580 Ca 0.00 2.16 -0.02 0.00 0.00 0.00 0.00 44.72 46.86 3n9l s GLY 580 CO 0.00 0.87 0.04 -1.31 0.00 0.00 0.00 173.10 172.70 3n9l s ASN 581 N -1.48 5.47 0.11 1.64 0.01 0.68 -1.73 114.94 119.65 3n9l s ASN 581 Ca 0.06 0.16 -0.12 0.00 -0.71 0.00 0.00 52.86 52.26 3n9l s ASN 581 Cb -0.01 -1.57 0.01 0.00 0.41 0.00 0.00 41.25 40.10 3n9l s ASN 581 CO -0.04 0.34 0.28 0.72 -1.51 0.00 0.00 177.10 176.89 3n9l s PHE 582 N -1.01 0.03 0.08 2.20 -0.12 -0.39 -3.61 117.98 115.16 3n9l s PHE 582 Ca 0.17 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 3n9l s PHE 582 Cb -0.12 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 3n9l s PHE 582 CO 0.07 -0.63 -0.15 -0.51 -0.05 0.00 0.00 175.22 173.95 3n9l s LEU 583 N -2.85 2.82 -0.07 -1.99 1.43 -1.26 -0.02 118.68 116.74 3n9l s LEU 583 Ca 0.05 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 3n9l s LEU 583 Cb 0.03 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.64 3n9l s LEU 583 CO -0.10 0.21 0.41 -1.38 0.23 0.00 0.00 176.35 175.71 3n9l s HIS 584 N -1.10 -0.36 0.36 0.29 -3.43 -1.26 -0.34 115.29 109.45 3n9l s HIS 584 Ca 0.18 0.72 0.12 0.00 -0.80 0.00 0.00 55.06 55.29 3n9l s HIS 584 Cb -0.11 0.17 0.93 0.00 -1.43 0.00 0.00 32.58 32.14 3n9l s HIS 584 CO 0.10 -0.36 1.80 -0.07 -2.00 0.00 0.00 174.74 174.21 3n9l h LEU 585 N 4.33 0.59 -2.08 5.38 4.07 -1.95 -1.12 115.31 124.54 3n9l h LEU 585 Ca -0.28 0.08 0.10 0.00 0.08 0.00 0.00 57.88 57.85 3n9l h LEU 585 Cb 1.17 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 3n9l h LEU 585 CO 0.34 0.20 0.31 1.23 -1.08 0.00 0.00 178.44 179.44 3n9l h GLY 586 N 0.57 0.00 -1.63 0.83 0.00 -1.86 -1.52 103.07 99.47 3n9l h GLY 586 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 3n9l h GLY 586 CO -0.30 0.00 -0.22 0.70 0.00 0.00 0.00 176.54 176.72 3n9l n ASN 587 N -4.00 2.23 -0.11 0.19 3.02 -0.43 -4.55 115.26 111.61 3n9l n ASN 587 Ca 0.05 -3.79 -0.08 0.00 -0.03 0.00 0.00 54.58 50.73 3n9l n ASN 587 Cb 0.48 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3n9l n ASN 587 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3n9l h LEU 588 N 0.99 0.38 0.42 3.41 5.85 -1.26 0.03 115.31 125.13 3n9l h LEU 588 Ca 0.14 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3n9l h LEU 588 Cb 1.41 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 3n9l h LEU 588 CO 0.24 0.28 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.06 3n9l h GLU 589 N 0.46 -0.57 -0.47 1.25 5.08 -1.88 -1.58 114.58 116.88 3n9l h GLU 589 Ca 0.14 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3n9l h GLU 589 Cb -0.03 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3n9l h GLU 589 CO -0.05 -0.38 0.31 1.98 -1.00 0.00 0.00 179.01 179.87 3n9l h MET 590 N -0.60 0.57 -0.09 2.33 4.05 -1.89 0.15 114.93 119.45 3n9l h MET 590 Ca -0.05 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 3n9l h MET 590 Cb 0.47 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3n9l h MET 590 CO 0.07 0.38 0.03 1.96 0.23 0.00 0.00 176.91 179.58 3n9l h GLN 591 N 0.59 0.14 -0.79 0.39 4.20 -0.72 -1.00 115.11 117.92 3n9l h GLN 591 Ca 0.18 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3n9l h GLN 591 Cb 0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3n9l h GLN 591 CO -0.04 0.30 0.33 0.52 -0.67 0.00 0.00 178.83 179.27 3n9l h MET 592 N -0.04 1.16 -0.26 1.46 2.86 -0.27 0.46 114.93 120.30 3n9l h MET 592 Ca 0.03 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3n9l h MET 592 Cb 0.21 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3n9l h MET 592 CO -0.00 0.92 0.05 -0.09 1.06 0.00 0.00 176.91 178.86 3n9l h ARG 593 N 1.14 0.15 -0.84 1.72 9.65 -0.57 -0.52 114.38 125.11 3n9l h ARG 593 Ca 0.26 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 3n9l h ARG 593 Cb 0.19 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 3n9l h ARG 593 CO -0.03 0.10 0.46 0.28 2.80 0.00 0.00 179.97 183.58 3n9l h VAL 594 N 0.15 1.25 -0.36 0.20 2.07 -0.73 -1.03 116.25 117.81 3n9l h VAL 594 Ca 0.12 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3n9l h VAL 594 Cb 0.12 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 3n9l h VAL 594 CO -0.16 0.28 -0.01 0.22 0.02 0.00 0.00 177.57 177.92 3n9l h TYR 595 N 1.17 -0.04 -0.97 1.57 3.20 -0.35 0.67 116.97 122.21 3n9l h TYR 595 Ca 0.29 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.28 3n9l h TYR 595 Cb 0.03 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3n9l h TYR 595 CO 0.01 -0.08 0.62 0.45 -1.64 0.00 0.00 178.16 177.52 3n9l h HIS 596 N 0.08 1.12 -0.33 -3.82 3.86 -0.59 -1.19 115.15 114.29 3n9l h HIS 596 Ca 0.17 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3n9l h HIS 596 Cb 0.24 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3n9l h HIS 596 CO -0.26 0.54 0.17 1.25 0.86 0.00 0.00 177.93 180.49 3n9l h LEU 597 N 1.06 0.42 -0.54 2.43 5.85 0.24 -0.36 115.31 124.40 3n9l h LEU 597 Ca 0.44 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3n9l h LEU 597 Cb 0.29 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3n9l h LEU 597 CO -0.19 0.40 0.31 -0.33 -0.34 0.00 0.00 178.44 178.29 3n9l h GLU 598 N 0.40 0.75 -0.58 1.25 5.08 -0.14 -1.86 114.58 119.48 3n9l h GLU 598 Ca 0.11 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3n9l h GLU 598 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3n9l h GLU 598 CO -0.02 0.57 0.10 -0.91 -1.00 0.00 0.00 179.01 177.75 3n9l h ASN 599 N 0.73 0.92 -0.28 1.42 2.35 -1.03 -0.55 115.58 119.13 3n9l h ASN 599 Ca 0.19 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3n9l h ASN 599 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3n9l h ASN 599 CO -0.03 0.94 0.10 0.00 -1.65 0.00 0.00 177.43 176.79 3n9l h ALA 600 N 1.01 0.32 -0.49 -0.83 0.00 -0.86 -2.46 119.26 115.95 3n9l h ALA 600 Ca 0.18 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3n9l h ALA 600 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3n9l h ALA 600 CO 0.01 -0.30 0.23 0.82 0.00 0.00 0.00 179.25 180.01 3n9l h ILE 601 N 0.23 1.19 -0.24 0.00 2.04 -1.14 -2.89 117.51 116.71 3n9l h ILE 601 Ca 0.13 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.48 3n9l h ILE 601 Cb 0.09 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3n9l h ILE 601 CO -0.13 0.22 0.17 0.03 0.00 0.00 0.00 178.15 178.44 3n9l h ARG 602 N 0.66 0.09 -0.18 2.37 3.08 -0.81 -1.49 114.38 118.09 3n9l h ARG 602 Ca 0.17 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.24 3n9l h ARG 602 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3n9l h ARG 602 CO -0.02 0.06 0.12 0.87 -1.07 0.00 0.00 179.97 179.93 3n9l h LYS 603 N 0.09 0.10 0.00 0.04 1.57 -1.22 -3.34 116.57 113.81 3n9l h LYS 603 Ca 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3n9l h LYS 603 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3n9l h LYS 603 CO -0.01 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 3n9l n GLU 604 N -4.50 0.00 -1.08 3.15 4.71 -0.58 -4.99 120.64 117.35 3n9l n GLU 604 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 3n9l n GLU 604 Cb 0.18 -0.21 0.12 0.00 -1.01 0.00 0.00 31.44 30.52 3n9l n GLU 604 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 3n9l s ILE 605 N 0.00 2.85 -0.22 -3.67 -5.25 -1.11 -5.04 121.20 108.77 3n9l s ILE 605 Ca 0.00 0.28 -0.04 0.00 -0.99 0.00 0.00 60.65 59.90 3n9l s ILE 605 Cb 0.00 -2.61 -0.01 0.00 2.95 0.00 0.00 42.46 42.80 3n9l s ILE 605 CO 0.00 -0.35 -0.04 -0.13 -1.79 0.00 0.00 174.94 172.63 3n9l s ARG 606 N -4.76 3.35 0.42 0.37 0.52 -1.26 -4.51 118.95 113.08 3n9l s ARG 606 Ca 0.64 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 3n9l s ARG 606 Cb -0.20 -3.02 -0.07 0.00 0.52 0.00 0.00 34.95 32.18 3n9l s ARG 606 CO 0.56 -0.21 0.02 0.45 0.02 0.00 0.00 175.30 176.13 3n9l s SER 607 N 1.48 3.93 0.66 0.23 0.15 -1.26 -5.15 113.70 113.74 3n9l s SER 607 Ca 0.06 -1.39 -0.10 0.00 0.70 0.00 0.00 55.95 55.21 3n9l s SER 607 Cb -0.14 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 3n9l s SER 607 CO -0.03 -0.50 1.02 -1.61 1.20 0.00 0.00 173.24 173.32 3n9l s GLU 608 N -3.74 2.97 0.27 5.44 2.02 -1.26 -5.00 118.70 119.40 3n9l s GLU 608 Ca 0.32 0.35 0.23 0.00 0.02 0.00 0.00 54.97 55.88 3n9l s GLU 608 Cb 0.09 -2.11 0.11 0.00 0.10 0.00 0.00 34.13 32.31 3n9l s GLU 608 CO 0.16 -0.86 1.22 0.93 0.02 0.00 0.00 175.26 176.73 3n9l h GLU 609 N -0.45 0.00 0.00 1.61 5.08 -2.01 -3.31 114.58 115.49 3n9l h GLU 609 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3n9l h GLU 609 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3n9l h GLU 609 CO 0.63 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 179.00 3n9l n LYS 610 N -2.80 0.78 -0.05 2.33 2.85 -1.26 -1.97 118.16 118.04 3n9l n LYS 610 Ca 0.01 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.32 3n9l n LYS 610 Cb 0.54 -1.11 0.07 0.00 -0.65 0.00 0.00 35.03 33.88 3n9l n LYS 610 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3n9l n PHE 611 N -0.61 0.13 -4.53 5.58 3.01 -1.25 -5.00 117.46 114.79 3n9l n PHE 611 Ca 0.04 -0.15 -0.25 0.00 1.01 0.00 0.00 57.45 58.10 3n9l n PHE 611 Cb 0.02 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 3n9l n PHE 611 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3n9l s TYR 612 N -0.89 2.36 0.03 1.38 1.51 -0.83 -4.73 117.35 116.18 3n9l s TYR 612 Ca 0.15 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 3n9l s TYR 612 Cb 0.09 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.54 3n9l s TYR 612 CO 0.13 0.58 1.92 0.12 -1.11 0.00 0.00 175.55 177.19 3n9l s PHE 613 N -2.62 1.42 0.14 2.71 5.36 -1.26 -4.90 117.98 118.82 3n9l s PHE 613 Ca 0.32 -0.36 -0.31 0.00 -0.96 0.00 0.00 56.93 55.62 3n9l s PHE 613 Cb 0.02 -4.20 -0.10 0.00 -0.34 0.00 0.00 43.02 38.40 3n9l s PHE 613 CO 0.16 -5.33 1.60 -2.14 -1.46 0.00 0.00 175.22 168.05 3n9l s PRO 614 N 4.28 4.21 -1.54 10.12 0.02 -1.26 -2.92 135.00 147.91 3n9l s PRO 614 Ca 0.86 2.36 -0.11 0.00 0.02 0.00 0.00 61.00 64.13 3n9l s PRO 614 Cb -0.42 -3.30 0.08 0.00 0.02 0.00 0.00 34.50 30.89 3n9l s PRO 614 CO 0.40 -0.65 0.81 0.09 -0.33 0.00 0.00 177.00 177.32 3n9l n ASN 615 N 4.51 -3.30 0.02 2.53 3.02 -1.26 -4.65 115.26 116.13 3n9l n ASN 615 Ca 0.15 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.71 3n9l n ASN 615 Cb 0.39 -3.47 -0.04 0.00 -0.61 0.00 0.00 39.78 36.05 3n9l n ASN 615 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3n9l h PHE 616 N -1.86 -0.26 -0.47 3.10 3.57 -1.93 -0.25 116.94 118.84 3n9l h PHE 616 Ca -0.59 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 60.79 3n9l h PHE 616 Cb 1.38 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 3n9l h PHE 616 CO 0.56 -0.16 -0.21 0.93 -2.23 0.00 0.00 178.31 177.21 3n9l h GLU 617 N -0.14 0.97 -0.30 1.11 5.08 -1.89 -3.08 114.58 116.33 3n9l h GLU 617 Ca 0.06 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3n9l h GLU 617 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3n9l h GLU 617 CO -0.15 1.08 0.19 1.25 -1.00 0.00 0.00 179.01 180.38 3n9l h LEU 618 N 0.82 0.35 -0.91 1.33 5.85 -1.89 -1.96 115.31 118.89 3n9l h LEU 618 Ca 0.11 -0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.02 3n9l h LEU 618 Cb 0.78 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 3n9l h LEU 618 CO 0.06 0.26 0.45 0.25 -0.34 0.00 0.00 178.44 179.12 3n9l h LEU 619 N 0.40 0.46 -0.28 2.25 6.46 -0.98 0.38 115.31 124.00 3n9l h LEU 619 Ca 0.11 0.14 -0.20 0.00 -0.12 0.00 0.00 57.88 57.80 3n9l h LEU 619 Cb -0.03 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3n9l h LEU 619 CO -0.02 0.08 -0.69 0.45 -0.62 0.00 0.00 178.44 177.63 3n9l h HIS 620 N 0.50 0.95 -0.54 1.25 3.86 -1.34 0.03 115.15 119.86 3n9l h HIS 620 Ca 0.56 -0.39 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3n9l h HIS 620 Cb 1.00 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 3n9l h HIS 620 CO -0.10 1.20 0.28 -1.49 0.86 0.00 0.00 177.93 178.68 3n9l h TRP 621 N 0.52 0.51 -0.38 2.45 4.06 -0.41 0.16 115.95 122.87 3n9l h TRP 621 Ca -0.03 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 3n9l h TRP 621 Cb 1.29 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 3n9l h TRP 621 CO 0.07 0.25 -0.04 0.52 -3.56 0.00 0.00 178.44 175.68 3n9l h MET 622 N 0.54 0.69 -0.40 0.49 2.86 -0.88 -2.05 114.93 116.19 3n9l h MET 622 Ca 0.24 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3n9l h MET 622 Cb 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3n9l h MET 622 CO -0.16 0.81 0.21 -0.92 1.06 0.00 0.00 176.91 177.92 3n9l h TYR 623 N 0.50 0.55 -0.07 -0.22 5.03 -0.71 0.25 116.97 122.29 3n9l h TYR 623 Ca 0.10 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.41 3n9l h TYR 623 Cb 0.53 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 3n9l h TYR 623 CO 0.04 0.43 -0.03 1.98 -1.32 0.00 0.00 178.16 179.26 3n9l h MET 624 N 0.51 -0.02 -0.05 1.82 4.05 -0.93 0.52 114.93 120.83 3n9l h MET 624 Ca 0.14 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3n9l h MET 624 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3n9l h MET 624 CO -0.02 -0.01 -0.15 -0.09 0.23 0.00 0.00 176.91 176.87 3n9l h ARG 625 N -0.02 0.18 0.00 0.39 2.43 -1.19 0.34 114.38 116.51 3n9l h ARG 625 Ca 0.04 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 3n9l h ARG 625 Cb 0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3n9l h ARG 625 CO -0.09 0.76 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.60 3n9l h ASN 626 N -0.36 0.00 0.00 -3.80 4.21 -0.54 -3.36 115.58 111.73 3n9l h ASN 626 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 3n9l h ASN 626 Cb 0.78 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.98 3n9l h ASN 626 CO 0.03 0.62 0.00 0.52 -1.29 0.00 0.00 177.43 177.32 3n9l n VAL 627 N -3.31 0.00 -0.23 2.81 0.31 0.12 -4.64 118.33 113.40 3n9l n VAL 627 Ca 0.01 0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 3n9l n VAL 627 Cb 0.76 -0.88 0.06 0.00 -0.91 0.00 0.00 33.84 32.88 3n9l n VAL 627 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3n9l h LEU 628 N 0.00 0.68 -0.36 7.52 4.07 -1.42 -2.51 115.31 123.29 3n9l h LEU 628 Ca 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3n9l h LEU 628 Cb 0.00 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3n9l h LEU 628 CO 0.00 0.48 0.08 0.25 -1.08 0.00 0.00 178.44 178.17 3n9l h LEU 629 N 0.81 0.56 -1.37 1.67 7.12 -0.52 -1.83 115.31 121.75 3n9l h LEU 629 Ca 0.26 -0.24 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 3n9l h LEU 629 Cb -0.01 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 3n9l h LEU 629 CO -0.09 0.65 0.24 -0.08 -0.13 0.00 0.00 178.44 179.03 3n9l h GLU 630 N 0.44 0.67 -0.10 1.25 4.81 -1.66 -1.67 114.58 118.33 3n9l h GLU 630 Ca 0.11 -0.07 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 3n9l h GLU 630 Cb 0.31 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3n9l h GLU 630 CO 0.00 0.52 -0.80 0.87 -0.73 0.00 0.00 179.01 178.87 3n9l h LYS 631 N 0.68 0.72 -0.48 1.92 1.57 -1.17 -1.48 116.57 118.32 3n9l h LYS 631 Ca 0.17 -0.64 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3n9l h LYS 631 Cb 0.06 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3n9l h LYS 631 CO -0.02 1.24 0.10 0.82 -0.57 0.00 0.00 179.45 181.02 3n9l h ILE 632 N 0.42 1.21 0.54 1.86 2.04 -1.18 0.71 117.51 123.11 3n9l h ILE 632 Ca -0.07 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3n9l h ILE 632 Cb 1.44 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3n9l h ILE 632 CO 0.16 0.29 -0.26 0.74 0.00 0.00 0.00 178.15 179.08 3n9l h THR 633 N 0.71 0.38 -0.67 -0.27 2.02 -1.23 0.16 112.91 114.00 3n9l h THR 633 Ca 0.16 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 67.10 3n9l h THR 633 Cb 0.29 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 3n9l h THR 633 CO 0.00 0.04 0.34 -0.33 0.37 0.00 0.00 175.52 175.94 3n9l h GLU 634 N -0.95 0.59 0.26 6.66 5.08 -1.18 0.32 114.58 125.36 3n9l h GLU 634 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3n9l h GLU 634 Cb 0.63 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3n9l h GLU 634 CO 0.12 0.39 -0.49 0.00 -1.00 0.00 0.00 179.01 178.03 3n9l h ALA 635 N 1.38 -0.98 -1.00 3.43 0.00 -0.79 -2.38 119.26 118.93 3n9l h ALA 635 Ca 0.32 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.35 3n9l h ALA 635 Cb 0.28 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3n9l h ALA 635 CO -0.23 -1.11 0.66 -0.91 0.00 0.00 0.00 179.25 177.66 3n9l h ASN 636 N -0.82 0.34 0.49 0.00 2.35 0.40 -2.01 115.58 116.33 3n9l h ASN 636 Ca -0.02 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3n9l h ASN 636 Cb 0.78 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3n9l h ASN 636 CO -0.20 0.09 -0.49 1.56 -1.65 0.00 0.00 177.43 176.75 3n9l h GLN 637 N 0.31 0.00 0.00 0.81 4.20 -0.43 -3.43 115.11 116.57 3n9l h GLN 637 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3n9l h GLN 637 Cb 1.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 3n9l h GLN 637 CO -0.19 0.49 0.00 -0.85 -0.67 0.00 0.00 178.83 177.60 3n9l n GLU 638 N -3.95 3.98 0.00 1.46 0.00 -0.75 -5.02 120.64 116.36 3n9l n GLU 638 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 3n9l n GLU 638 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 3n9l n GLU 638 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3n9l n GLY 639 N 5.00 0.00 3.15 -1.84 0.00 -1.26 -4.94 105.19 105.30 3n9l n GLY 639 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3n9l n GLY 639 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n9l s SER 640 N 0.00 -1.28 -0.21 1.61 0.15 -1.26 -4.98 113.70 107.73 3n9l s SER 640 Ca 0.00 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.82 3n9l s SER 640 Cb 0.00 1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 66.24 3n9l s SER 640 CO 0.00 -0.24 1.30 -0.62 1.20 0.00 0.00 173.24 174.88 3n9l s ASP 641 N 2.87 6.82 0.48 5.45 -1.08 -1.26 -4.61 116.67 125.33 3n9l s ASP 641 Ca 0.15 1.52 0.26 0.00 -0.52 0.00 0.00 52.55 53.96 3n9l s ASP 641 Cb -0.11 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.96 3n9l s ASP 641 CO -0.22 -0.90 1.93 0.24 0.52 0.00 0.00 175.17 176.74 3n9l h MET 642 N 8.72 0.00 0.00 4.34 2.86 -1.95 -2.54 114.93 126.36 3n9l h MET 642 Ca -0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3n9l h MET 642 Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 3n9l h MET 642 CO 0.99 0.18 -0.01 0.00 1.06 0.00 0.00 176.91 179.13 3n9l h ARG 643 N 0.00 0.00 -0.08 1.72 3.08 -1.90 1.03 114.38 118.23 3n9l h ARG 643 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3n9l h ARG 643 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 3n9l h ARG 643 CO 0.02 0.01 -0.46 0.93 -1.07 0.00 0.00 179.97 179.40 3n9l h GLU 644 N 0.00 0.45 0.00 0.04 4.39 -1.86 -3.35 114.58 114.25 3n9l h GLU 644 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3n9l h GLU 644 Cb 0.11 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3n9l h GLU 644 CO 0.00 1.02 0.00 1.04 -1.16 0.00 0.00 179.01 179.91 3n9l n GLN 645 N -4.29 0.60 -1.19 2.33 1.13 -1.13 -4.85 117.38 109.99 3n9l n GLN 645 Ca -0.08 -0.68 -0.02 0.00 -1.94 0.00 0.00 57.00 54.27 3n9l n GLN 645 Cb 0.58 -0.61 -0.03 0.00 0.11 0.00 0.00 30.24 30.29 3n9l n GLN 645 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3n9l n GLU 646 N -0.10 0.00 -0.21 -1.09 1.02 0.33 -4.94 120.64 115.64 3n9l n GLU 646 Ca 0.00 -1.39 0.23 0.00 -0.02 0.00 0.00 57.16 55.98 3n9l n GLU 646 Cb 0.43 0.27 0.60 0.00 -0.02 0.00 0.00 31.44 32.72 3n9l n GLU 646 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3n9l h LYS 647 N 0.41 0.22 -0.20 3.49 1.63 -0.95 -1.00 116.57 120.17 3n9l h LYS 647 Ca -0.41 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.18 3n9l h LYS 647 Cb 1.60 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 3n9l h LYS 647 CO -0.12 0.15 -0.65 -2.95 -3.45 0.00 0.00 179.45 172.42 3n9l h ASN 648 N 0.23 0.87 -0.28 4.20 7.08 -1.92 -2.83 115.58 122.93 3n9l h ASN 648 Ca 0.45 -0.51 -0.03 0.00 -3.08 0.00 0.00 56.30 53.13 3n9l h ASN 648 Cb 1.39 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 37.37 3n9l h ASN 648 CO -0.11 1.30 0.07 0.40 -2.08 0.00 0.00 177.43 177.00 3n9l h ILE 649 N 0.55 1.21 -0.07 6.14 1.08 -1.58 -2.78 117.51 122.07 3n9l h ILE 649 Ca -0.02 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3n9l h ILE 649 Cb 1.26 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 3n9l h ILE 649 CO 0.13 0.23 0.04 -0.25 -0.69 0.00 0.00 178.15 177.62 3n9l h TRP 650 N 0.28 0.09 -0.23 1.37 2.91 -1.42 -1.44 115.95 117.50 3n9l h TRP 650 Ca 0.09 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.04 3n9l h TRP 650 Cb 0.28 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 3n9l h TRP 650 CO 0.01 0.08 -0.14 1.79 -1.03 0.00 0.00 178.44 179.16 3n9l h THR 651 N 0.07 1.21 -0.28 2.65 1.35 -1.56 -1.70 112.91 114.66 3n9l h THR 651 Ca 0.03 -0.95 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 3n9l h THR 651 Cb 0.01 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3n9l h THR 651 CO -0.01 0.30 -0.25 0.00 -0.25 0.00 0.00 175.52 175.32 3n9l h ALA 652 N 1.50 1.05 -0.19 6.62 0.00 -1.23 -2.36 119.26 124.65 3n9l h ALA 652 Ca 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3n9l h ALA 652 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3n9l h ALA 652 CO 0.03 0.58 0.07 0.77 0.00 0.00 0.00 179.25 180.70 3n9l h SER 653 N 0.48 0.26 -0.80 0.00 0.02 -0.38 0.95 113.55 114.09 3n9l h SER 653 Ca 0.07 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3n9l h SER 653 Cb 0.68 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 3n9l h SER 653 CO 0.05 0.36 0.36 1.56 -1.14 0.00 0.00 176.83 178.02 3n9l h GLN 654 N 0.15 1.18 -0.11 3.45 4.20 -1.36 0.14 115.11 122.76 3n9l h GLN 654 Ca 0.06 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 3n9l h GLN 654 Cb 0.18 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3n9l h GLN 654 CO -0.00 0.93 -0.06 0.82 -0.67 0.00 0.00 178.83 179.84 3n9l h ILE 655 N 1.16 1.32 -0.58 2.54 2.04 -1.24 -1.25 117.51 121.51 3n9l h ILE 655 Ca 0.27 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3n9l h ILE 655 Cb 0.16 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3n9l h ILE 655 CO -0.03 0.31 0.10 -0.03 0.00 0.00 0.00 178.15 178.50 3n9l h MET 656 N -0.12 0.92 -0.23 2.37 4.05 -0.66 -2.74 114.93 118.53 3n9l h MET 656 Ca 0.03 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 3n9l h MET 656 Cb 0.52 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3n9l h MET 656 CO 0.02 0.85 0.11 -0.22 0.23 0.00 0.00 176.91 177.90 3n9l h LYS 657 N 0.88 0.33 -0.48 0.39 3.64 -0.63 -0.90 116.57 119.80 3n9l h LYS 657 Ca 0.18 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3n9l h LYS 657 Cb 0.37 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 3n9l h LYS 657 CO 0.01 0.34 0.03 0.00 -2.27 0.00 0.00 179.45 177.56 3n9l h ALA 658 N 0.97 0.48 -0.56 5.00 0.00 -1.09 0.24 119.26 124.30 3n9l h ALA 658 Ca 0.08 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3n9l h ALA 658 Cb 0.12 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3n9l h ALA 658 CO -0.01 -0.37 -0.02 1.49 0.00 0.00 0.00 179.25 180.35 3n9l h GLU 659 N 0.15 0.98 -0.39 0.00 4.57 -1.29 -2.93 114.58 115.65 3n9l h GLU 659 Ca 0.24 -0.31 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 3n9l h GLU 659 Cb 0.35 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3n9l h GLU 659 CO -0.38 0.98 -0.27 0.52 -1.18 0.00 0.00 179.01 178.68 3n9l h MET 660 N 0.90 0.83 -0.75 1.92 2.86 -0.26 -2.48 114.93 117.94 3n9l h MET 660 Ca 0.16 -0.36 0.12 0.00 -2.06 0.00 0.00 59.70 57.56 3n9l h MET 660 Cb 0.55 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 3n9l h MET 660 CO 0.03 0.99 0.34 0.93 1.06 0.00 0.00 176.91 180.26 3n9l h GLU 661 N 0.71 0.51 -0.52 1.72 4.39 -0.39 0.28 114.58 121.28 3n9l h GLU 661 Ca 0.09 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3n9l h GLU 661 Cb 0.81 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3n9l h GLU 661 CO 0.07 0.34 0.21 0.00 -1.16 0.00 0.00 179.01 178.47 3n9l h ARG 662 N 0.52 0.77 -0.26 2.33 3.08 -1.35 -1.14 114.38 118.33 3n9l h ARG 662 Ca 0.40 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.35 3n9l h ARG 662 Cb 0.54 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3n9l h ARG 662 CO -0.35 0.67 -0.00 -1.49 -1.07 0.00 0.00 179.97 177.73 3n9l h TRP 663 N 0.69 -0.02 0.50 3.04 6.55 -0.76 0.42 115.95 126.37 3n9l h TRP 663 Ca 0.17 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.02 3n9l h TRP 663 Cb 0.19 0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.51 3n9l h TRP 663 CO 0.00 -0.04 -0.50 0.52 -1.05 0.00 0.00 178.44 177.37 3n9l h MET 664 N 0.07 -0.97 -0.49 0.49 2.86 -0.72 -0.10 114.93 116.07 3n9l h MET 664 Ca 0.12 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 3n9l h MET 664 Cb 0.16 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 31.94 3n9l h MET 664 CO -0.21 -0.64 -0.40 0.22 1.06 0.00 0.00 176.91 176.93 3n9l h ASP 665 N -1.00 -1.36 -0.91 1.22 3.58 -1.01 0.12 116.42 117.05 3n9l h ASP 665 Ca -0.06 0.23 0.17 0.00 0.42 0.00 0.00 57.03 57.78 3n9l h ASP 665 Cb 0.87 0.62 -0.10 0.00 1.72 0.00 0.00 39.33 42.44 3n9l h ASP 665 CO -0.07 -0.34 0.49 -0.09 -2.88 0.00 0.00 179.24 176.35 3n9l h ARG 666 N -0.26 0.63 -0.07 0.28 2.43 -0.70 0.11 114.38 116.79 3n9l h ARG 666 Ca 0.17 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3n9l h ARG 666 Cb 0.57 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3n9l h ARG 666 CO -0.63 0.41 -0.34 1.49 -1.51 0.00 0.00 179.97 179.40 3n9l h GLU 667 N 0.64 0.13 0.00 0.20 4.81 0.11 -2.25 114.58 118.22 3n9l h GLU 667 Ca 0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3n9l h GLU 667 Cb 0.78 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3n9l h GLU 667 CO -0.39 0.46 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.17 3n9l h LEU 668 N 0.12 0.00 -1.75 1.64 3.38 0.71 0.20 115.31 119.60 3n9l h LEU 668 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n9l h LEU 668 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3n9l h LEU 668 CO 0.05 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.13 3n9l n ARG 669 N -2.64 2.11 0.00 1.13 1.74 -0.39 -4.45 116.66 114.16 3n9l n ARG 669 Ca 0.04 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 3n9l n ARG 669 Cb 0.48 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3n9l n ARG 669 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3n9l n LEU 670 N 0.90 0.00 -1.17 0.55 -0.00 -1.18 -5.06 117.00 111.04 3n9l n LEU 670 Ca 0.16 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.33 3n9l n LEU 670 Cb 0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.78 3n9l n LEU 670 CO 0.11 0.00 -0.31 0.61 -0.00 0.00 0.00 177.39 177.81 3n9l n GLY 671 N 0.00 -2.22 0.00 1.47 0.00 0.70 -4.91 105.19 100.24 3n9l n GLY 671 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3n9l n GLY 671 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n9l n PRO 672 N -3.83 -0.04 0.00 1.61 -0.02 -1.25 -4.61 135.00 126.86 3n9l n PRO 672 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3n9l n PRO 672 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3n9l n PRO 672 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3n9l n GLU 673 N -0.72 3.69 0.00 -0.52 4.71 -1.26 -5.07 120.64 121.47 3n9l n GLU 673 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3n9l n GLU 673 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3n9l n GLU 673 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3n9l n LYS 674 N 0.00 0.00 -0.96 3.49 4.76 -1.26 -4.95 118.16 119.24 3n9l n LYS 674 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 3n9l n LYS 674 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3n9l n LYS 674 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3n9l n ASN 675 N 0.00 -0.54 0.00 4.39 0.23 -1.26 -4.88 115.26 113.21 3n9l n ASN 675 Ca 0.00 0.76 0.00 0.00 -0.53 0.00 0.00 54.58 54.81 3n9l n ASN 675 Cb 0.00 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 3n9l n ASN 675 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3n9l n ALA 676 N 0.36 0.00 0.00 -2.53 0.00 -1.26 -4.95 120.51 112.13 3n9l n ALA 676 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3n9l n ALA 676 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3n9l n ALA 676 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3n9l n ILE 677 N 0.00 0.00 -3.66 0.00 5.41 -1.26 -4.81 119.36 115.04 3n9l n ILE 677 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 3n9l n ILE 677 Cb 0.00 -0.59 -0.12 0.00 -0.71 0.00 0.00 39.64 38.23 3n9l n ILE 677 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3n9l s LEU 678 N -4.78 4.30 0.43 1.39 0.20 -1.26 -5.07 118.68 113.89 3n9l s LEU 678 Ca 0.00 -0.76 -0.25 0.00 0.69 0.00 0.00 54.13 53.81 3n9l s LEU 678 Cb 0.00 -1.98 -0.10 0.00 -0.43 0.00 0.00 46.19 43.68 3n9l s LEU 678 CO 0.00 -0.27 1.18 -2.65 -0.29 0.00 0.00 176.35 174.32 3n9l n PRO 679 N 4.96 1.69 -0.14 0.98 -0.02 -1.26 -4.80 135.00 136.40 3n9l n PRO 679 Ca -0.13 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 3n9l n PRO 679 Cb 0.48 -2.27 0.52 0.00 -0.02 0.00 0.00 33.50 32.21 3n9l n PRO 679 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3n9l h THR 680 N 1.83 0.81 0.11 3.45 2.02 -1.98 -0.93 112.91 118.22 3n9l h THR 680 Ca -0.47 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3n9l h THR 680 Cb 1.31 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3n9l h THR 680 CO 0.59 0.07 -0.12 -0.78 0.37 0.00 0.00 175.52 175.64 3n9l h ASP 681 N 0.39 -0.33 -0.45 4.18 -0.00 -2.00 -1.48 116.42 116.73 3n9l h ASP 681 Ca 0.35 0.03 0.03 0.00 -0.00 0.00 0.00 57.03 57.44 3n9l h ASP 681 Cb 0.81 0.12 -0.04 0.00 -0.00 0.00 0.00 39.33 40.22 3n9l h ASP 681 CO -0.10 -0.19 0.24 0.44 -0.00 0.00 0.00 179.24 179.63 3n9l h ASP 682 N -0.26 0.37 0.34 2.28 3.45 -1.54 -1.27 116.42 119.78 3n9l h ASP 682 Ca 0.01 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 3n9l h ASP 682 Cb 0.26 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3n9l h ASP 682 CO -0.04 0.26 -0.30 0.11 -1.57 0.00 0.00 179.24 177.69 3n9l h LYS 683 N 0.48 -0.64 -0.83 3.56 1.57 -1.27 -0.65 116.57 118.79 3n9l h LYS 683 Ca 0.19 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.16 3n9l h LYS 683 Cb 0.07 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 3n9l h LYS 683 CO -0.12 -0.42 0.41 -0.97 -0.57 0.00 0.00 179.45 177.78 3n9l h ASN 684 N -0.66 0.47 -0.57 0.86 -1.24 -1.00 0.16 115.58 113.61 3n9l h ASN 684 Ca -0.02 0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.10 3n9l h ASN 684 Cb 0.59 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.64 3n9l h ASN 684 CO -0.04 0.19 0.37 0.11 -1.29 0.00 0.00 177.43 176.76 3n9l h LYS 685 N 0.58 0.72 -0.23 6.67 1.57 -0.72 -0.50 116.57 124.64 3n9l h LYS 685 Ca 0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3n9l h LYS 685 Cb 0.67 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3n9l h LYS 685 CO -0.38 0.47 0.14 0.82 -0.57 0.00 0.00 179.45 179.94 3n9l h ILE 686 N 0.74 1.09 -0.49 1.86 2.04 0.62 -2.19 117.51 121.18 3n9l h ILE 686 Ca 0.21 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3n9l h ILE 686 Cb -0.05 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3n9l h ILE 686 CO -0.06 0.08 0.21 0.24 0.00 0.00 0.00 178.15 178.62 3n9l h MET 687 N 0.29 0.69 -0.64 2.37 2.86 -0.49 -0.24 114.93 119.77 3n9l h MET 687 Ca 0.08 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3n9l h MET 687 Cb 0.01 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3n9l h MET 687 CO -0.02 0.55 0.20 0.82 1.06 0.00 0.00 176.91 179.53 3n9l h ILE 688 N 0.69 1.25 -0.28 -1.22 2.04 -0.86 -1.61 117.51 117.53 3n9l h ILE 688 Ca 0.17 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3n9l h ILE 688 Cb 0.11 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3n9l h ILE 688 CO -0.02 0.32 0.02 -1.28 0.00 0.00 0.00 178.15 177.19 3n9l h SER 689 N 0.92 0.46 -0.34 1.72 0.87 -0.73 -2.47 113.55 113.98 3n9l h SER 689 Ca 0.20 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3n9l h SER 689 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3n9l h SER 689 CO -0.01 0.64 0.18 0.58 -0.53 0.00 0.00 176.83 177.69 3n9l h VAL 690 N 0.27 1.14 -0.73 2.23 2.07 -0.96 -2.33 116.25 117.95 3n9l h VAL 690 Ca 0.08 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3n9l h VAL 690 Cb 0.39 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3n9l h VAL 690 CO 0.01 0.14 0.44 0.03 0.02 0.00 0.00 177.57 178.21 3n9l h ARG 691 N 0.42 0.82 0.44 1.57 3.08 -1.27 0.06 114.38 119.50 3n9l h ARG 691 Ca 0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3n9l h ARG 691 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3n9l h ARG 691 CO -0.02 0.54 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.87 3n9l h LYS 692 N 0.84 -0.73 -0.41 0.04 3.64 -1.17 -0.70 116.57 118.09 3n9l h LYS 692 Ca 0.31 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3n9l h LYS 692 Cb 0.09 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3n9l h LYS 692 CO -0.14 -0.48 -0.01 1.96 -2.27 0.00 0.00 179.45 178.51 3n9l h GLN 693 N -0.75 0.66 -0.15 1.90 1.08 -1.18 -1.15 115.11 115.51 3n9l h GLN 693 Ca -0.04 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 3n9l h GLN 693 Cb 0.64 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 3n9l h GLN 693 CO 0.01 0.68 -0.02 0.82 -0.95 0.00 0.00 178.83 179.37 3n9l h ILE 694 N 0.62 1.27 -0.53 2.54 2.04 -0.83 -1.42 117.51 121.20 3n9l h ILE 694 Ca 0.13 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 3n9l h ILE 694 Cb 0.40 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3n9l h ILE 694 CO 0.02 0.27 0.17 -0.08 0.00 0.00 0.00 178.15 178.52 3n9l h GLU 695 N 0.00 0.79 0.30 2.37 4.57 -0.94 -1.26 114.58 120.41 3n9l h GLU 695 Ca 0.04 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3n9l h GLU 695 Cb 0.42 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3n9l h GLU 695 CO 0.01 0.68 -0.21 0.82 -1.18 0.00 0.00 179.01 179.13 3n9l h ILE 696 N 0.77 0.55 -0.83 2.32 2.04 -1.08 -1.83 117.51 119.44 3n9l h ILE 696 Ca 0.18 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.13 3n9l h ILE 696 Cb 0.23 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 3n9l h ILE 696 CO -0.01 0.00 0.48 -0.61 0.00 0.00 0.00 178.15 178.01 3n9l h GLN 697 N -0.51 0.77 -0.12 2.37 5.75 -0.79 -0.96 115.11 121.63 3n9l h GLN 697 Ca -0.02 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3n9l h GLN 697 Cb 0.44 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3n9l h GLN 697 CO 0.01 0.51 -0.25 1.79 -2.65 0.00 0.00 178.83 178.24 3n9l h THR 698 N 0.79 1.23 -0.19 2.39 1.35 -1.07 -1.02 112.91 116.41 3n9l h THR 698 Ca 0.41 -1.08 -0.12 0.00 -0.55 0.00 0.00 66.41 65.07 3n9l h THR 698 Cb 0.38 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3n9l h THR 698 CO -0.25 0.32 -0.38 0.11 -0.25 0.00 0.00 175.52 175.07 3n9l h LYS 699 N 0.19 0.41 -0.21 4.72 1.57 -0.34 -0.75 116.57 122.16 3n9l h LYS 699 Ca 0.03 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3n9l h LYS 699 Cb 0.55 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3n9l h LYS 699 CO 0.04 0.73 0.01 0.82 -0.57 0.00 0.00 179.45 180.48 3n9l h ILE 700 N 0.35 1.25 -0.37 1.86 2.04 -0.57 -2.65 117.51 119.41 3n9l h ILE 700 Ca 0.04 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3n9l h ILE 700 Cb 0.83 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3n9l h ILE 700 CO 0.07 0.26 0.14 1.56 0.00 0.00 0.00 178.15 180.17 3n9l h GLN 701 N 0.14 0.57 -0.07 2.37 4.20 -1.08 -2.31 115.11 118.92 3n9l h GLN 701 Ca 0.06 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3n9l h GLN 701 Cb 0.38 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3n9l h GLN 701 CO 0.01 0.56 0.06 -0.91 -0.67 0.00 0.00 178.83 177.88 3n9l h ASN 702 N 0.46 0.00 -0.48 1.46 4.21 -1.15 -0.88 115.58 119.20 3n9l h ASN 702 Ca 0.12 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.52 3n9l h ASN 702 Cb 0.21 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 3n9l h ASN 702 CO -0.01 0.00 -0.14 0.00 -1.29 0.00 0.00 177.43 175.99 3n9l h ALA 703 N 1.95 0.79 -0.02 -0.83 0.00 -1.04 -3.51 119.26 116.60 3n9l h ALA 703 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3n9l h ALA 703 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3n9l h ALA 703 CO -0.00 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.54