#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcu s LEU 245 N 0.00 4.38 0.87 -4.62 2.96 -1.26 -5.07 118.68 115.94 3dcu s LEU 245 Ca 0.00 0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 54.71 3dcu s LEU 245 Cb 0.00 -2.67 0.11 0.00 0.50 0.00 0.00 46.19 44.14 3dcu s LEU 245 CO 0.00 0.16 1.10 0.42 -1.32 0.00 0.00 176.35 176.71 3dcu s THR 246 N -0.26 2.71 0.13 3.68 -4.23 -1.26 -4.80 115.64 111.61 3dcu s THR 246 Ca 0.25 0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3dcu s THR 246 Cb -0.16 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.84 3dcu s THR 246 CO 0.12 -0.30 1.50 1.55 -0.54 0.00 0.00 174.62 176.96 3dcu h PRO 247 N -1.43 0.86 0.00 3.99 0.13 -1.98 0.34 132.00 133.91 3dcu h PRO 247 Ca -0.49 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 3dcu h PRO 247 Cb 1.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dcu h PRO 247 CO 0.57 1.02 0.00 0.22 -0.23 0.00 0.00 178.00 179.58 3dcu h ASP 248 N 0.67 0.00 0.02 1.44 3.58 -2.00 -2.46 116.42 117.67 3dcu h ASP 248 Ca 0.09 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.16 3dcu h ASP 248 Cb 0.78 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.77 3dcu h ASP 248 CO 0.06 0.00 -2.14 0.00 -2.88 0.00 0.00 179.24 174.28 3dcu n GLN 249 N -2.96 0.62 0.28 0.28 6.02 -1.03 -4.00 117.38 116.59 3dcu n GLN 249 Ca 0.01 0.31 0.16 0.00 -0.01 0.00 0.00 57.00 57.47 3dcu n GLN 249 Cb 0.29 -1.59 0.86 0.00 1.02 0.00 0.00 30.24 30.82 3dcu n GLN 249 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3dcu h GLN 250 N -0.62 0.00 0.04 -1.09 1.08 -0.27 0.26 115.11 114.51 3dcu h GLN 250 Ca -0.55 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.38 3dcu h GLN 250 Cb 1.67 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.07 3dcu h GLN 250 CO -0.22 0.00 -1.44 0.00 -0.95 0.00 0.00 178.83 176.21 3dcu h THR 251 N 0.00 1.20 0.47 -0.54 1.03 -1.61 -3.07 112.91 110.39 3dcu h THR 251 Ca 0.00 -2.95 -0.02 0.00 -0.01 0.00 0.00 66.41 63.43 3dcu h THR 251 Cb 0.28 2.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 3dcu h THR 251 CO 0.00 0.75 -0.22 0.25 -0.01 0.00 0.00 175.52 176.28 3dcu h LEU 252 N 0.02 -0.53 -1.91 0.00 5.85 -0.65 -1.93 115.31 116.16 3dcu h LEU 252 Ca -0.19 0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.84 3dcu h LEU 252 Cb 1.94 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 43.06 3dcu h LEU 252 CO 0.12 -0.26 0.80 0.25 -0.34 0.00 0.00 178.44 179.01 3dcu h LEU 253 N -0.88 0.00 0.07 2.25 5.85 -1.51 0.12 115.31 121.21 3dcu h LEU 253 Ca -0.06 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3dcu h LEU 253 Cb 0.48 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3dcu h LEU 253 CO 0.11 0.00 -0.43 -0.74 -0.34 0.00 0.00 178.44 177.03 3dcu h HIS 254 N 0.00 0.29 -0.81 1.25 2.76 -1.47 0.14 115.15 117.32 3dcu h HIS 254 Ca 0.48 -0.21 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 3dcu h HIS 254 Cb 2.08 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.97 3dcu h HIS 254 CO 0.00 1.16 0.50 0.74 -1.30 0.00 0.00 177.93 179.03 3dcu h PHE 255 N -0.65 0.92 0.25 5.26 -1.00 -0.25 0.39 116.94 121.86 3dcu h PHE 255 Ca -0.08 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 3dcu h PHE 255 Cb 1.34 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.60 3dcu h PHE 255 CO 0.23 0.48 -0.12 0.82 -1.61 0.00 0.00 178.31 178.12 3dcu h ILE 256 N 0.93 0.81 -0.22 -0.55 2.04 -0.91 -2.01 117.51 117.60 3dcu h ILE 256 Ca 0.35 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3dcu h ILE 256 Cb 0.13 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3dcu h ILE 256 CO -0.16 0.11 0.24 0.24 0.00 0.00 0.00 178.15 178.59 3dcu h MET 257 N -0.62 0.00 0.26 2.37 2.86 -0.51 -1.29 114.93 118.01 3dcu h MET 257 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3dcu h MET 257 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dcu h MET 257 CO 0.06 0.00 -0.13 0.22 1.06 0.00 0.00 176.91 178.12 3dcu h ASP 258 N 0.00 -0.30 -0.59 1.22 3.58 0.15 -3.22 116.42 117.26 3dcu h ASP 258 Ca 0.10 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.38 3dcu h ASP 258 Cb 0.59 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 3dcu h ASP 258 CO -0.00 0.06 0.39 0.28 -2.88 0.00 0.00 179.24 177.09 3dcu h SER 259 N -0.70 0.63 0.38 2.28 0.02 -0.57 -1.60 113.55 113.98 3dcu h SER 259 Ca -0.04 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3dcu h SER 259 Cb 0.48 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3dcu h SER 259 CO 0.06 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.19 3dcu n TYR 260 N -4.46 0.03 -0.03 3.45 9.36 -0.58 -2.10 117.16 122.83 3dcu n TYR 260 Ca 0.07 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3dcu n TYR 260 Cb 0.10 -0.52 0.00 0.00 -0.63 0.00 0.00 39.34 38.29 3dcu n TYR 260 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3dcu n ASN 261 N -1.53 0.30 0.00 2.98 3.02 -0.85 -4.86 115.26 114.33 3dcu n ASN 261 Ca 0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3dcu n ASN 261 Cb 0.13 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 3dcu n ASN 261 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dcu n LYS 262 N -0.60 0.00 -0.89 3.52 4.01 -0.66 -4.81 118.16 118.73 3dcu n LYS 262 Ca 0.00 0.01 -0.29 0.00 -0.51 0.00 0.00 58.31 57.52 3dcu n LYS 262 Cb 0.01 -0.95 0.19 0.00 -0.51 0.00 0.00 35.03 33.77 3dcu n LYS 262 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3dcu s GLN 263 N -0.92 0.28 -0.14 1.97 1.03 -1.26 -5.07 119.66 115.56 3dcu s GLN 263 Ca 0.00 0.88 -0.30 0.00 0.04 0.00 0.00 55.36 55.98 3dcu s GLN 263 Cb 0.00 -1.69 0.12 0.00 0.03 0.00 0.00 33.01 31.47 3dcu s GLN 263 CO 0.00 -2.93 1.00 1.03 -2.54 0.00 0.00 175.29 171.85 3dcu s ARG 264 N -4.73 0.60 0.21 9.60 1.81 -1.26 -5.01 118.95 120.17 3dcu s ARG 264 Ca 0.66 0.04 -0.30 0.00 -1.72 0.00 0.00 55.73 54.41 3dcu s ARG 264 Cb -0.21 0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 34.49 3dcu s ARG 264 CO 0.60 -0.21 1.23 -1.64 -0.68 0.00 0.00 175.30 174.60 3dcu s MET 265 N -1.56 4.47 0.33 3.54 -1.94 -1.26 -4.97 119.30 117.91 3dcu s MET 265 Ca 0.00 1.94 -0.28 0.00 -1.71 0.00 0.00 55.69 55.64 3dcu s MET 265 Cb -0.01 -3.21 -0.12 0.00 2.01 0.00 0.00 34.83 33.50 3dcu s MET 265 CO -0.01 -0.12 1.31 -2.30 -0.01 0.00 0.00 175.02 173.90 3dcu n PRO 266 N 2.32 2.15 0.11 2.03 -0.02 -1.26 -4.86 135.00 135.47 3dcu n PRO 266 Ca 0.04 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 3dcu n PRO 266 Cb 0.44 -2.35 0.27 0.00 -0.02 0.00 0.00 33.50 31.84 3dcu n PRO 266 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3dcu h GLN 267 N 2.78 0.20 -0.22 -0.52 -0.00 -1.97 -1.31 115.11 114.06 3dcu h GLN 267 Ca -0.46 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.09 3dcu h GLN 267 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 3dcu h GLN 267 CO 0.64 0.53 0.08 1.05 -0.00 0.00 0.00 178.83 181.14 3dcu h GLU 268 N 0.18 0.31 0.00 0.06 -0.00 -1.99 0.53 114.58 113.66 3dcu h GLU 268 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3dcu h GLU 268 Cb 0.71 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.40 3dcu h GLU 268 CO 0.05 0.27 -0.10 0.82 -0.00 0.00 0.00 179.01 180.05 3dcu h ILE 269 N 0.31 0.18 -0.11 -1.06 2.04 -1.84 -3.35 117.51 113.68 3dcu h ILE 269 Ca 0.08 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3dcu h ILE 269 Cb 0.08 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3dcu h ILE 269 CO -0.01 0.06 0.33 0.71 0.00 0.00 0.00 178.15 179.24 3dcu h THR 270 N -1.00 0.12 0.00 -0.27 1.35 -1.17 0.14 112.91 112.08 3dcu h THR 270 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.82 3dcu h THR 270 Cb 0.19 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3dcu h THR 270 CO -0.00 0.00 -0.15 0.78 -0.25 0.00 0.00 175.52 175.90 3dcu h ASN 271 N 0.00 0.00 0.71 5.36 2.35 -1.02 -3.09 115.58 119.90 3dcu h ASN 271 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3dcu h ASN 271 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3dcu h ASN 271 CO -0.00 0.15 -0.15 0.11 -1.65 0.00 0.00 177.43 175.89 3dcu h LYS 272 N 0.00 0.00 -0.27 0.81 1.57 -0.87 -0.80 116.57 117.01 3dcu h LYS 272 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3dcu h LYS 272 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3dcu h LYS 272 CO 0.02 0.15 0.19 0.82 -0.57 0.00 0.00 179.45 180.06 3dcu h ILE 273 N 0.00 0.88 0.00 1.86 2.04 -1.70 -3.01 117.51 117.58 3dcu h ILE 273 Ca -0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3dcu h ILE 273 Cb 0.54 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3dcu h ILE 273 CO 0.02 0.00 -0.36 -0.11 0.00 0.00 0.00 178.15 177.71 3dcu n LEU 274 N -4.46 1.26 0.37 1.44 7.94 -0.44 -4.67 117.00 118.44 3dcu n LEU 274 Ca 0.03 0.52 -0.14 0.00 -1.11 0.00 0.00 56.01 55.31 3dcu n LEU 274 Cb 0.34 -0.76 -0.07 0.00 0.53 0.00 0.00 43.42 43.46 3dcu n LEU 274 CO 0.35 -0.48 0.53 0.11 -1.11 0.00 0.00 177.39 176.79 3dcu h LYS 275 N -0.70 -0.90 -6.30 1.96 1.79 -1.27 -3.46 116.57 107.70 3dcu h LYS 275 Ca 0.00 0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.98 3dcu h LYS 275 Cb 0.36 0.20 0.23 0.00 -1.58 0.00 0.00 32.23 31.44 3dcu h LYS 275 CO 0.00 -0.60 -1.33 0.39 -1.08 0.00 0.00 179.45 176.83 3dcu n GLU 276 N -4.52 -0.08 -0.69 3.15 -0.58 -1.14 -4.93 120.64 111.85 3dcu n GLU 276 Ca -0.12 -0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.31 3dcu n GLU 276 Cb 0.37 -1.33 0.19 0.00 -0.57 0.00 0.00 31.44 30.10 3dcu n GLU 276 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3dcu s GLU 277 N -2.54 0.56 -0.90 3.49 -1.05 -1.26 -4.98 118.70 112.01 3dcu s GLU 277 Ca 0.48 1.33 -0.01 0.00 -0.15 0.00 0.00 54.97 56.61 3dcu s GLU 277 Cb -0.21 -1.69 0.23 0.00 -0.44 0.00 0.00 34.13 32.01 3dcu s GLU 277 CO 0.76 -2.88 0.82 1.19 0.95 0.00 0.00 175.26 176.10 3dcu n PHE 278 N -4.38 4.12 -4.43 4.83 3.01 -1.26 -4.66 117.46 114.68 3dcu n PHE 278 Ca 0.09 -4.06 -0.23 0.00 1.01 0.00 0.00 57.45 54.25 3dcu n PHE 278 Cb 0.53 -1.12 -0.10 0.00 -0.01 0.00 0.00 39.48 38.78 3dcu n PHE 278 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3dcu s SER 279 N -0.35 3.33 0.58 4.37 1.04 -1.26 -4.99 113.70 116.42 3dcu s SER 279 Ca 0.29 -0.99 0.28 0.00 0.48 0.00 0.00 55.95 56.01 3dcu s SER 279 Cb -0.05 -0.25 1.60 0.00 0.10 0.00 0.00 66.02 67.41 3dcu s SER 279 CO -0.11 0.01 2.06 0.00 0.98 0.00 0.00 173.24 176.19 3dcu h ALA 280 N 2.56 1.92 0.00 5.32 0.00 -1.97 0.22 119.26 127.31 3dcu h ALA 280 Ca -0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3dcu h ALA 280 Cb 1.24 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3dcu h ALA 280 CO 0.57 -0.37 -0.18 1.05 0.00 0.00 0.00 179.25 180.32 3dcu h GLU 281 N 0.00 0.00 -0.79 0.00 -0.00 -1.94 -2.94 114.58 108.90 3dcu h GLU 281 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.47 3dcu h GLU 281 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.32 3dcu h GLU 281 CO -0.00 0.65 0.48 1.49 -0.00 0.00 0.00 179.01 181.63 3dcu h GLU 282 N -1.00 1.07 0.17 1.06 4.57 -1.81 -0.61 114.58 118.03 3dcu h GLU 282 Ca -0.04 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 3dcu h GLU 282 Cb 0.72 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3dcu h GLU 282 CO -0.02 0.75 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.56 3dcu h ASN 283 N 1.09 -0.19 -0.14 1.04 2.35 -0.70 -1.96 115.58 117.08 3dcu h ASN 283 Ca 0.29 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 3dcu h ASN 283 Cb -0.05 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3dcu h ASN 283 CO -0.05 -0.08 -0.02 0.15 -1.65 0.00 0.00 177.43 175.78 3dcu h PHE 284 N -0.28 -0.04 -0.56 1.19 3.04 -1.27 -1.15 116.94 117.85 3dcu h PHE 284 Ca -0.02 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 3dcu h PHE 284 Cb 0.22 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.70 3dcu h PHE 284 CO -0.05 -0.04 0.19 -0.07 -2.02 0.00 0.00 178.31 176.32 3dcu h LEU 285 N 0.02 0.18 -0.45 0.59 3.38 -1.03 0.15 115.31 118.15 3dcu h LEU 285 Ca 0.07 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dcu h LEU 285 Cb 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3dcu h LEU 285 CO -0.13 0.12 0.13 0.40 0.09 0.00 0.00 178.44 179.05 3dcu h ILE 286 N 0.37 1.23 -0.94 1.22 2.04 -1.10 0.19 117.51 120.52 3dcu h ILE 286 Ca 0.28 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3dcu h ILE 286 Cb 0.34 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3dcu h ILE 286 CO -0.29 0.27 0.58 -0.07 0.00 0.00 0.00 178.15 178.65 3dcu h LEU 287 N 0.59 1.11 0.02 1.44 3.38 -0.41 -0.65 115.31 120.79 3dcu h LEU 287 Ca 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dcu h LEU 287 Cb 0.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dcu h LEU 287 CO -0.00 0.83 -0.01 0.74 0.09 0.00 0.00 178.44 180.09 3dcu h THR 288 N 1.28 1.05 -0.86 0.22 2.02 -0.26 -1.78 112.91 114.59 3dcu h THR 288 Ca 0.34 -0.23 0.15 0.00 0.77 0.00 0.00 66.41 67.44 3dcu h THR 288 Cb -0.09 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.43 3dcu h THR 288 CO -0.07 0.06 0.44 -0.08 0.37 0.00 0.00 175.52 176.25 3dcu h GLU 289 N -0.13 0.61 0.24 6.66 4.81 -0.11 -1.71 114.58 124.96 3dcu h GLU 289 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3dcu h GLU 289 Cb 0.12 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3dcu h GLU 289 CO 0.01 0.41 -0.12 0.52 -0.73 0.00 0.00 179.01 179.10 3dcu h MET 290 N 0.63 -0.31 -0.14 1.92 2.86 -0.89 -2.64 114.93 116.36 3dcu h MET 290 Ca 0.47 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.17 3dcu h MET 290 Cb 0.66 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 3dcu h MET 290 CO -0.36 -0.16 -0.17 0.00 1.06 0.00 0.00 176.91 177.28 3dcu h ALA 291 N 0.36 -0.08 -0.97 6.32 0.00 -0.55 -0.30 119.26 124.04 3dcu h ALA 291 Ca -0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dcu h ALA 291 Cb 0.30 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3dcu h ALA 291 CO 0.05 -0.61 0.63 1.15 0.00 0.00 0.00 179.25 180.47 3dcu h THR 292 N -0.20 1.12 -0.23 0.00 2.02 -1.32 0.24 112.91 114.53 3dcu h THR 292 Ca 0.10 -0.40 -0.20 0.00 0.77 0.00 0.00 66.41 66.68 3dcu h THR 292 Cb 0.35 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3dcu h THR 292 CO -0.26 0.21 -0.64 0.78 0.37 0.00 0.00 175.52 175.98 3dcu h ASN 293 N 1.17 0.95 -0.83 4.18 2.35 -1.15 -3.04 115.58 119.21 3dcu h ASN 293 Ca 0.40 -0.56 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3dcu h ASN 293 Cb 0.10 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3dcu h ASN 293 CO -0.14 1.35 0.45 -0.74 -1.65 0.00 0.00 177.43 176.70 3dcu h HIS 294 N 0.61 1.14 -0.99 1.19 2.76 -0.50 -0.93 115.15 118.44 3dcu h HIS 294 Ca -0.01 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.29 3dcu h HIS 294 Cb 1.26 -0.37 -0.09 0.00 1.55 0.00 0.00 27.41 29.76 3dcu h HIS 294 CO 0.08 0.80 0.62 0.28 -1.30 0.00 0.00 177.93 178.40 3dcu h VAL 295 N 1.16 0.79 -0.45 5.26 2.07 -0.87 0.45 116.25 124.66 3dcu h VAL 295 Ca 0.29 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3dcu h VAL 295 Cb 0.04 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 3dcu h VAL 295 CO -0.05 0.15 -0.27 1.56 0.02 0.00 0.00 177.57 178.98 3dcu h GLN 296 N 0.81 0.96 -0.50 1.57 4.20 -1.10 -2.19 115.11 118.87 3dcu h GLN 296 Ca 0.53 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3dcu h GLN 296 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3dcu h GLN 296 CO -0.31 1.11 -0.07 0.28 -0.67 0.00 0.00 178.83 179.16 3dcu h VAL 297 N 0.82 1.26 0.19 -0.54 2.07 -0.12 -2.38 116.25 117.54 3dcu h VAL 297 Ca 0.09 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3dcu h VAL 297 Cb 0.85 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3dcu h VAL 297 CO 0.08 0.41 -0.11 -0.07 0.02 0.00 0.00 177.57 177.89 3dcu h LEU 298 N 0.80 -0.27 -0.19 2.57 3.38 0.02 0.07 115.31 121.70 3dcu h LEU 298 Ca 0.14 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3dcu h LEU 298 Cb 0.58 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3dcu h LEU 298 CO 0.04 -0.18 -0.12 0.58 0.09 0.00 0.00 178.44 178.85 3dcu h VAL 299 N -0.28 0.65 -0.20 1.22 2.07 -1.32 0.72 116.25 119.10 3dcu h VAL 299 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3dcu h VAL 299 Cb 0.23 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3dcu h VAL 299 CO 0.02 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.22 3dcu h GLU 300 N -0.11 -0.02 0.61 1.57 5.08 -1.26 0.97 114.58 121.42 3dcu h GLU 300 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dcu h GLU 300 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dcu h GLU 300 CO -0.26 -0.01 -0.39 0.35 -1.00 0.00 0.00 179.01 177.71 3dcu h PHE 301 N -0.02 -1.02 -0.73 4.33 3.57 -0.18 -2.59 116.94 120.30 3dcu h PHE 301 Ca 0.10 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.74 3dcu h PHE 301 Cb 0.17 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.17 3dcu h PHE 301 CO -0.23 -0.58 0.22 1.15 -2.23 0.00 0.00 178.31 176.64 3dcu h THR 302 N -0.95 0.58 -0.60 4.41 2.02 0.68 -1.03 112.91 118.02 3dcu h THR 302 Ca -0.08 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 67.08 3dcu h THR 302 Cb 0.77 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 3dcu h THR 302 CO 0.07 0.06 0.21 0.11 0.37 0.00 0.00 175.52 176.35 3dcu h LYS 303 N 0.33 0.38 0.00 6.66 6.56 -0.58 0.20 116.57 130.11 3dcu h LYS 303 Ca 0.40 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.97 3dcu h LYS 303 Cb 0.65 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 3dcu h LYS 303 CO -0.46 0.25 0.00 1.63 -2.06 0.00 0.00 179.45 178.81 3dcu n LYS 304 N -5.01 0.27 -2.41 3.15 5.02 -0.41 -4.54 118.16 114.23 3dcu n LYS 304 Ca 0.09 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 3dcu n LYS 304 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3dcu n LYS 304 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dcu s LEU 305 N -2.37 4.40 -0.31 -0.35 1.43 0.68 -4.91 118.68 117.26 3dcu s LEU 305 Ca 0.15 2.08 -0.35 0.00 -1.03 0.00 0.00 54.13 54.99 3dcu s LEU 305 Cb 0.09 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 3dcu s LEU 305 CO 0.19 -0.43 2.14 -2.65 0.23 0.00 0.00 176.35 175.83 3dcu n PRO 306 N 3.45 1.28 0.00 1.29 -0.02 -1.26 -1.88 135.00 137.85 3dcu n PRO 306 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3dcu n PRO 306 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3dcu n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dcu n GLY 307 N 6.13 1.60 0.20 -1.23 0.00 -1.26 -4.93 105.19 105.70 3dcu n GLY 307 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 3dcu n GLY 307 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dcu h PHE 308 N 0.00 0.12 0.00 1.61 3.57 -1.65 -2.05 116.94 118.53 3dcu h PHE 308 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dcu h PHE 308 Cb 0.00 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3dcu h PHE 308 CO 0.00 -0.04 0.00 1.04 -2.23 0.00 0.00 178.31 177.08 3dcu n GLN 309 N -5.15 0.19 0.03 1.11 6.02 -1.26 -1.88 117.38 116.44 3dcu n GLN 309 Ca 0.06 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.61 3dcu n GLN 309 Cb 0.26 -1.87 0.47 0.00 1.02 0.00 0.00 30.24 30.11 3dcu n GLN 309 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dcu n THR 310 N -2.23 0.18 -1.74 5.09 -2.24 -0.77 -4.88 114.28 107.68 3dcu n THR 310 Ca 0.02 -0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 3dcu n THR 310 Cb 0.22 -0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 3dcu n THR 310 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dcu s LEU 311 N -3.48 3.29 0.17 3.22 1.43 -0.79 -4.96 118.68 117.55 3dcu s LEU 311 Ca 0.12 1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 54.65 3dcu s LEU 311 Cb 0.17 -4.52 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 3dcu s LEU 311 CO 0.59 -1.41 1.79 -0.62 0.23 0.00 0.00 176.35 176.93 3dcu s ASP 312 N -3.25 6.39 0.55 2.29 2.15 -1.26 -4.84 116.67 118.70 3dcu s ASP 312 Ca 0.61 2.82 0.28 0.00 0.43 0.00 0.00 52.55 56.70 3dcu s ASP 312 Cb -0.16 -2.58 1.45 0.00 -0.30 0.00 0.00 42.92 41.33 3dcu s ASP 312 CO 0.47 -1.00 1.94 0.45 -0.17 0.00 0.00 175.17 176.87 3dcu h HIS 313 N 7.77 0.00 0.00 -5.34 3.86 -1.93 0.90 115.15 120.40 3dcu h HIS 313 Ca -0.45 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.68 3dcu h HIS 313 Cb 1.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 3dcu h HIS 313 CO 0.72 0.00 -0.38 0.93 0.86 0.00 0.00 177.93 180.06 3dcu h GLU 314 N 0.00 0.00 0.00 2.45 5.08 -2.00 -2.93 114.58 117.18 3dcu h GLU 314 Ca 0.30 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3dcu h GLU 314 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3dcu h GLU 314 CO -0.00 0.38 -0.66 -0.44 -1.00 0.00 0.00 179.01 177.29 3dcu h ASP 315 N 0.00 0.00 -0.15 1.42 3.32 0.43 -2.97 116.42 118.47 3dcu h ASP 315 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 3dcu h ASP 315 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3dcu h ASP 315 CO 0.05 0.39 -0.47 1.56 -1.72 0.00 0.00 179.24 179.05 3dcu h GLN 316 N 0.00 0.59 -0.57 3.56 4.20 -1.06 -1.74 115.11 120.08 3dcu h GLN 316 Ca -0.04 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 3dcu h GLN 316 Cb 1.33 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 3dcu h GLN 316 CO 0.04 1.05 0.29 0.82 -0.67 0.00 0.00 178.83 180.37 3dcu h ILE 317 N 0.23 1.20 -0.65 2.54 5.03 -1.59 -0.15 117.51 124.12 3dcu h ILE 317 Ca -0.02 -0.53 -0.03 0.00 -0.12 0.00 0.00 64.86 64.16 3dcu h ILE 317 Cb 1.09 0.50 -0.03 0.00 -3.03 0.00 0.00 36.82 35.35 3dcu h ILE 317 CO 0.10 0.22 0.26 0.00 -0.68 0.00 0.00 178.15 178.05 3dcu h ALA 318 N 1.13 1.25 -0.09 1.87 0.00 -1.48 0.34 119.26 122.26 3dcu h ALA 318 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dcu h ALA 318 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dcu h ALA 318 CO -0.03 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3dcu h LEU 319 N 0.93 0.26 0.10 0.00 3.38 -0.96 -1.40 115.31 117.63 3dcu h LEU 319 Ca 0.22 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3dcu h LEU 319 Cb 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dcu h LEU 319 CO -0.02 0.70 -0.10 -0.07 0.09 0.00 0.00 178.44 179.04 3dcu h LEU 320 N -0.18 -0.25 -2.11 1.67 3.38 -0.69 0.17 115.31 117.30 3dcu h LEU 320 Ca 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dcu h LEU 320 Cb 0.63 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dcu h LEU 320 CO 0.03 -0.15 -0.04 0.11 0.09 0.00 0.00 178.44 178.47 3dcu h LYS 321 N -0.22 0.00 0.04 1.13 1.57 -0.39 -2.29 116.57 116.40 3dcu h LYS 321 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3dcu h LYS 321 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3dcu h LYS 321 CO -0.02 0.04 -1.69 0.78 -0.57 0.00 0.00 179.45 177.99 3dcu h GLY 322 N 0.99 0.09 0.03 3.86 0.00 -0.45 -3.39 103.07 104.20 3dcu h GLY 322 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3dcu h GLY 322 CO 0.01 0.20 -1.28 -1.14 0.00 0.00 0.00 176.54 174.33 3dcu n SER 323 N -3.19 0.70 -0.35 0.19 3.41 -0.03 -4.66 113.62 109.69 3dcu n SER 323 Ca -0.18 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.65 3dcu n SER 323 Cb 1.04 1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 66.17 3dcu n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dcu n ALA 324 N -1.72 -0.54 -0.21 7.33 0.00 -0.87 -0.03 120.51 124.47 3dcu n ALA 324 Ca 0.02 0.71 -0.05 0.00 0.00 0.00 0.00 53.44 54.12 3dcu n ALA 324 Cb 0.40 -0.04 0.05 0.00 0.00 0.00 0.00 19.45 19.86 3dcu n ALA 324 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dcu h VAL 325 N 0.00 1.12 -0.65 0.00 2.07 -1.87 -0.97 116.25 115.94 3dcu h VAL 325 Ca 0.13 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3dcu h VAL 325 Cb 0.34 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3dcu h VAL 325 CO -0.79 0.14 0.16 -0.33 0.02 0.00 0.00 177.57 176.78 3dcu h GLU 326 N 0.79 1.02 -0.48 1.57 5.08 -1.57 -1.32 114.58 119.67 3dcu h GLU 326 Ca 0.23 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3dcu h GLU 326 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3dcu h GLU 326 CO -0.07 0.90 0.14 0.00 -1.00 0.00 0.00 179.01 178.98 3dcu h ALA 327 N 1.20 0.63 -0.73 3.43 0.00 -0.05 -2.54 119.26 121.20 3dcu h ALA 327 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dcu h ALA 327 Cb 0.34 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3dcu h ALA 327 CO -0.00 0.29 0.46 0.52 0.00 0.00 0.00 179.25 180.52 3dcu h MET 328 N 0.64 0.86 -0.90 0.00 2.86 -0.70 -0.64 114.93 117.06 3dcu h MET 328 Ca 0.15 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3dcu h MET 328 Cb 0.28 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 3dcu h MET 328 CO -0.00 0.57 0.57 0.74 1.06 0.00 0.00 176.91 179.85 3dcu h PHE 329 N 0.89 1.07 -0.14 -0.22 -1.00 -1.06 0.71 116.94 117.18 3dcu h PHE 329 Ca 0.30 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.07 3dcu h PHE 329 Cb 0.03 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.23 3dcu h PHE 329 CO -0.04 0.59 -0.03 -0.07 -1.61 0.00 0.00 178.31 177.16 3dcu h LEU 330 N 1.09 0.27 -0.63 1.54 3.38 -0.90 0.17 115.31 120.22 3dcu h LEU 330 Ca 0.37 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dcu h LEU 330 Cb 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3dcu h LEU 330 CO -0.14 0.56 0.41 -0.09 0.09 0.00 0.00 178.44 179.27 3dcu h ARG 331 N -0.02 0.81 -0.28 1.13 9.65 -0.78 0.29 114.38 125.18 3dcu h ARG 331 Ca 0.04 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.76 3dcu h ARG 331 Cb 0.44 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3dcu h ARG 331 CO 0.01 0.53 -0.29 0.66 2.80 0.00 0.00 179.97 183.69 3dcu h SER 332 N 0.83 0.57 0.55 -3.80 4.64 -0.81 -0.92 113.55 114.61 3dcu h SER 332 Ca 0.24 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3dcu h SER 332 Cb -0.06 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3dcu h SER 332 CO -0.07 0.84 -0.26 0.00 -0.87 0.00 0.00 176.83 176.47 3dcu h ALA 333 N 1.20 -0.74 -0.77 5.18 0.00 0.18 -0.81 119.26 123.51 3dcu h ALA 333 Ca 0.06 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.97 3dcu h ALA 333 Cb 0.74 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 3dcu h ALA 333 CO 0.06 -0.87 0.06 1.49 0.00 0.00 0.00 179.25 179.98 3dcu h GLU 334 N -0.82 0.13 0.16 0.00 4.81 -0.33 0.73 114.58 119.26 3dcu h GLU 334 Ca -0.08 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3dcu h GLU 334 Cb 0.60 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3dcu h GLU 334 CO 0.12 0.09 -0.25 0.82 -0.73 0.00 0.00 179.01 179.06 3dcu h ILE 335 N 0.14 0.44 -0.76 2.32 1.08 -0.66 0.85 117.51 120.92 3dcu h ILE 335 Ca 0.43 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.87 3dcu h ILE 335 Cb 0.77 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 3dcu h ILE 335 CO -0.64 0.00 0.36 -0.26 -0.69 0.00 0.00 178.15 176.92 3dcu h PHE 336 N -0.48 1.09 -0.00 1.37 0.04 0.20 -0.37 116.94 118.79 3dcu h PHE 336 Ca 0.02 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3dcu h PHE 336 Cb 0.49 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3dcu h PHE 336 CO -0.22 0.79 -0.00 -0.91 -0.60 0.00 0.00 178.31 177.37 3dcu h ASN 337 N 1.08 0.00 0.08 2.17 -0.26 0.11 -3.09 115.58 115.68 3dcu h ASN 337 Ca 0.26 -0.67 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 3dcu h ASN 337 Cb 0.11 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3dcu h ASN 337 CO -0.03 0.67 0.00 0.29 -1.06 0.00 0.00 177.43 177.29 3dcu n LYS 338 N -4.77 0.90 -4.19 0.81 5.02 0.29 -4.88 118.16 111.34 3dcu n LYS 338 Ca -0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.85 3dcu n LYS 338 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 3dcu n LYS 338 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dcu n LYS 339 N -1.04 -3.15 -1.63 1.97 4.01 -0.19 -4.79 118.16 113.34 3dcu n LYS 339 Ca 0.22 0.37 -0.47 0.00 -0.51 0.00 0.00 58.31 57.93 3dcu n LYS 339 Cb 0.13 -5.00 -0.03 0.00 -0.51 0.00 0.00 35.03 29.61 3dcu n LYS 339 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3dcu n LEU 340 N -4.39 2.37 -0.27 -0.35 4.77 -0.97 -4.87 117.00 113.28 3dcu n LEU 340 Ca 0.02 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3dcu n LEU 340 Cb 0.52 -1.33 0.12 0.00 -2.33 0.00 0.00 43.42 40.41 3dcu n LEU 340 CO 0.85 -0.86 1.13 1.55 -1.33 0.00 0.00 177.39 178.73 3dcu h PRO 341 N 3.90 0.77 -0.65 3.23 0.13 -1.93 -0.03 132.00 137.42 3dcu h PRO 341 Ca -0.44 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3dcu h PRO 341 Cb 1.31 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3dcu h PRO 341 CO 0.74 0.51 0.00 -1.13 -0.23 0.00 0.00 178.00 177.89 3dcu n SER 342 N -4.73 0.65 -0.03 1.44 3.41 -1.26 -3.29 113.62 109.81 3dcu n SER 342 Ca 0.11 -1.86 -0.02 0.00 -0.26 0.00 0.00 58.87 56.83 3dcu n SER 342 Cb 0.19 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 3dcu n SER 342 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dcu n GLY 343 N 0.15 -0.41 4.04 5.00 0.00 -0.03 -4.89 105.19 109.06 3dcu n GLY 343 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3dcu n GLY 343 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dcu n HIS 344 N -2.20 -1.82 -0.23 1.61 8.25 -1.21 -4.31 115.22 115.31 3dcu n HIS 344 Ca -0.11 0.80 -0.06 0.00 -0.26 0.00 0.00 57.72 58.09 3dcu n HIS 344 Cb 0.66 -3.51 -0.06 0.00 1.12 0.00 0.00 29.99 28.21 3dcu n HIS 344 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3dcu n SER 345 N -2.83 -0.59 -0.09 0.41 7.64 -1.26 0.90 113.62 117.79 3dcu n SER 345 Ca -0.10 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 60.82 3dcu n SER 345 Cb 0.58 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3dcu n SER 345 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3dcu h ASP 346 N 0.00 -0.46 -0.42 6.43 3.32 -1.98 0.63 116.42 123.93 3dcu h ASP 346 Ca 0.09 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3dcu h ASP 346 Cb 0.23 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3dcu h ASP 346 CO -0.52 -0.17 0.07 -0.07 -1.72 0.00 0.00 179.24 176.83 3dcu h LEU 347 N -0.07 0.66 -1.34 1.55 3.38 -1.02 -1.44 115.31 117.04 3dcu h LEU 347 Ca 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3dcu h LEU 347 Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dcu h LEU 347 CO -0.39 0.75 0.15 0.25 0.09 0.00 0.00 178.44 179.30 3dcu h LEU 348 N 0.55 0.55 -1.05 1.67 5.85 0.14 0.32 115.31 123.33 3dcu h LEU 348 Ca 0.13 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3dcu h LEU 348 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3dcu h LEU 348 CO 0.01 0.51 -0.45 -0.08 -0.34 0.00 0.00 178.44 178.09 3dcu h GLU 349 N 0.60 0.00 0.30 1.25 4.81 0.59 -2.11 114.58 120.01 3dcu h GLU 349 Ca 0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3dcu h GLU 349 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3dcu h GLU 349 CO -0.01 0.45 -0.14 0.93 -0.73 0.00 0.00 179.01 179.50 3dcu h GLU 350 N 0.00 -0.38 -0.35 1.92 4.39 0.13 -0.01 114.58 120.27 3dcu h GLU 350 Ca -0.00 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3dcu h GLU 350 Cb 0.84 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 3dcu h GLU 350 CO 0.06 -0.22 0.06 0.00 -1.16 0.00 0.00 179.01 177.75 3dcu h ARG 351 N -0.44 0.52 -0.11 2.33 3.08 -1.24 -2.13 114.38 116.40 3dcu h ARG 351 Ca -0.04 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3dcu h ARG 351 Cb 0.33 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dcu h ARG 351 CO 0.07 0.50 -0.20 0.82 -1.07 0.00 0.00 179.97 180.09 3dcu h ILE 352 N 0.51 1.39 -0.01 2.04 2.04 -1.21 -2.99 117.51 119.28 3dcu h ILE 352 Ca 0.12 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3dcu h ILE 352 Cb 0.24 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3dcu h ILE 352 CO 0.00 0.43 0.06 0.03 0.00 0.00 0.00 178.15 178.66 3dcu h ARG 353 N -0.11 0.00 -2.26 2.37 2.47 -0.68 -3.23 114.38 112.94 3dcu h ARG 353 Ca 0.00 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 3dcu h ARG 353 Cb 0.78 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.71 3dcu h ARG 353 CO 0.04 0.00 -0.94 -1.71 0.56 0.00 0.00 179.97 177.93 3dcu n ASN 354 N -3.17 0.78 -0.07 7.04 4.05 -0.83 -4.83 115.26 118.23 3dcu n ASN 354 Ca -0.03 -2.75 0.00 0.00 0.45 0.00 0.00 54.58 52.25 3dcu n ASN 354 Cb 0.13 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.51 3dcu n ASN 354 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3dcu n SER 355 N 1.85 0.13 0.00 1.20 3.41 -1.20 -4.35 113.62 114.65 3dcu n SER 355 Ca 0.25 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3dcu n SER 355 Cb 0.48 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3dcu n SER 355 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dcu n GLY 356 N -0.04 0.87 3.71 5.00 0.00 -1.26 -4.71 105.19 108.76 3dcu n GLY 356 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3dcu n GLY 356 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dcu s ILE 357 N -2.00 4.99 0.53 -0.61 1.01 -1.26 -4.90 121.20 118.96 3dcu s ILE 357 Ca 0.00 1.62 -0.22 0.00 0.00 0.00 0.00 60.65 62.04 3dcu s ILE 357 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 3dcu s ILE 357 CO 0.00 0.21 1.36 -0.55 0.00 0.00 0.00 174.94 175.96 3dcu s SER 358 N 0.88 5.39 0.32 3.58 0.15 -1.26 -4.80 113.70 117.96 3dcu s SER 358 Ca 0.41 2.77 -0.01 0.00 0.70 0.00 0.00 55.95 59.82 3dcu s SER 358 Cb -0.18 -2.64 0.51 0.00 -1.71 0.00 0.00 66.02 62.00 3dcu s SER 358 CO 0.20 -1.49 1.98 0.44 1.20 0.00 0.00 173.24 175.57 3dcu h ASP 359 N 1.60 0.88 -0.49 5.45 3.32 -1.99 -0.66 116.42 124.53 3dcu h ASP 359 Ca -0.51 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.66 3dcu h ASP 359 Cb 1.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 3dcu h ASP 359 CO 0.58 0.63 0.47 -0.33 -1.72 0.00 0.00 179.24 178.87 3dcu h GLU 360 N 1.04 0.00 0.01 3.56 4.39 -2.02 -2.30 114.58 119.25 3dcu h GLU 360 Ca 0.28 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.62 3dcu h GLU 360 Cb -0.12 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 3dcu h GLU 360 CO -0.06 0.00 -2.31 0.66 -1.16 0.00 0.00 179.01 176.14 3dcu n TYR 361 N -3.85 0.21 -0.13 4.33 0.53 -0.33 -4.34 117.16 113.58 3dcu n TYR 361 Ca 0.09 0.06 -0.10 0.00 -1.02 0.00 0.00 57.90 56.94 3dcu n TYR 361 Cb 0.67 -1.03 -0.01 0.00 -1.03 0.00 0.00 39.34 37.93 3dcu n TYR 361 CO 0.00 0.00 0.00 0.82 -1.02 0.00 0.00 176.86 176.66 3dcu h ILE 362 N 0.00 1.22 0.69 -0.72 1.08 -0.81 -1.97 117.51 117.01 3dcu h ILE 362 Ca -0.52 -0.75 -0.03 0.00 -0.39 0.00 0.00 64.86 63.18 3dcu h ILE 362 Cb 2.11 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.83 3dcu h ILE 362 CO 0.01 0.26 -0.48 0.74 -0.69 0.00 0.00 178.15 177.98 3dcu h THR 363 N 0.47 0.00 -0.93 -0.27 2.02 -1.69 -0.65 112.91 111.86 3dcu h THR 363 Ca 0.12 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.38 3dcu h THR 363 Cb 0.29 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 3dcu h THR 363 CO -0.00 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 175.84 3dcu h PRO 364 N -1.11 0.98 -0.07 6.66 0.11 -1.75 0.94 132.00 137.75 3dcu h PRO 364 Ca -0.09 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.00 3dcu h PRO 364 Cb 0.91 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.75 3dcu h PRO 364 CO 0.06 0.65 -0.22 1.98 -0.21 0.00 0.00 178.00 180.26 3dcu h MET 365 N 1.01 -0.30 0.00 1.05 4.05 -1.01 -0.29 114.93 119.44 3dcu h MET 365 Ca 0.42 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.69 3dcu h MET 365 Cb 0.29 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3dcu h MET 365 CO -0.17 -0.20 -0.78 0.74 0.23 0.00 0.00 176.91 176.73 3dcu h PHE 366 N -0.31 0.00 -0.88 1.39 -1.00 -0.15 -2.45 116.94 113.54 3dcu h PHE 366 Ca 0.08 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 3dcu h PHE 366 Cb 0.43 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 3dcu h PHE 366 CO -0.29 0.78 0.47 1.03 -1.61 0.00 0.00 178.31 178.68 3dcu h SER 367 N 0.00 1.12 -0.32 2.17 0.87 -0.61 0.29 113.55 117.08 3dcu h SER 367 Ca -0.01 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3dcu h SER 367 Cb 1.41 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 3dcu h SER 367 CO 0.10 0.91 0.19 0.15 -0.53 0.00 0.00 176.83 177.65 3dcu h PHE 368 N 1.24 0.42 -0.90 2.24 3.57 -0.92 -1.03 116.94 121.56 3dcu h PHE 368 Ca 0.31 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.83 3dcu h PHE 368 Cb 0.05 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 3dcu h PHE 368 CO 0.01 0.31 0.59 1.88 -2.23 0.00 0.00 178.31 178.88 3dcu h TYR 369 N 0.41 1.11 -0.02 0.41 0.05 -0.61 -1.66 116.97 116.66 3dcu h TYR 369 Ca 0.11 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 3dcu h TYR 369 Cb 0.02 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.38 3dcu h TYR 369 CO -0.04 0.66 -0.08 0.87 -1.05 0.00 0.00 178.16 178.52 3dcu h LYS 370 N 1.16 0.09 -0.36 4.88 6.56 -0.16 -2.32 116.57 126.43 3dcu h LYS 370 Ca 0.35 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.85 3dcu h LYS 370 Cb -0.04 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 3dcu h LYS 370 CO -0.09 0.71 0.14 0.66 -2.06 0.00 0.00 179.45 178.81 3dcu h SER 371 N -0.50 0.49 -0.04 0.86 4.64 -1.13 -2.71 113.55 115.16 3dcu h SER 371 Ca -0.00 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 3dcu h SER 371 Cb 0.72 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3dcu h SER 371 CO 0.02 0.52 -0.31 -0.29 -0.87 0.00 0.00 176.83 175.89 3dcu h ILE 372 N 0.43 1.28 -0.88 0.95 2.10 -1.41 -2.57 117.51 117.40 3dcu h ILE 372 Ca 0.12 -1.40 0.07 0.00 1.08 0.00 0.00 64.86 64.73 3dcu h ILE 372 Cb 0.18 1.44 -0.07 0.00 -1.09 0.00 0.00 36.82 37.28 3dcu h ILE 372 CO -0.01 0.44 0.55 1.23 -1.08 0.00 0.00 178.15 179.28 3dcu h GLY 373 N 1.05 1.34 -1.27 8.18 0.00 -1.23 -0.94 103.07 110.20 3dcu h GLY 373 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3dcu h GLY 373 CO 0.06 0.25 0.00 1.18 0.00 0.00 0.00 176.54 178.03 3dcu n GLU 374 N -4.62 0.45 -0.00 4.80 1.02 -0.97 -1.58 120.64 119.74 3dcu n GLU 374 Ca 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 3dcu n GLU 374 Cb 0.20 -1.24 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 3dcu n GLU 374 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dcu n LEU 375 N 0.41 0.44 -3.84 -4.62 4.77 -0.36 -5.01 117.00 108.79 3dcu n LEU 375 Ca 0.00 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.17 3dcu n LEU 375 Cb 0.14 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3dcu n LEU 375 CO 0.00 0.11 -0.13 2.29 -1.33 0.00 0.00 177.39 178.33 3dcu n LYS 376 N -1.29 -1.19 -2.45 3.23 -0.00 -0.62 -4.89 118.16 110.94 3dcu n LYS 376 Ca 0.02 0.33 -0.36 0.00 -0.00 0.00 0.00 58.31 58.30 3dcu n LYS 376 Cb 0.17 -3.71 -0.03 0.00 -0.00 0.00 0.00 35.03 31.46 3dcu n LYS 376 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3dcu s MET 377 N -6.50 3.90 0.19 -1.58 -1.94 -1.26 -5.04 119.30 107.06 3dcu s MET 377 Ca 0.41 1.54 -0.08 0.00 -1.71 0.00 0.00 55.69 55.85 3dcu s MET 377 Cb -0.17 -2.34 -0.06 0.00 2.01 0.00 0.00 34.83 34.26 3dcu s MET 377 CO 0.90 -0.38 0.47 0.95 -0.01 0.00 0.00 175.02 176.95 3dcu s THR 378 N -1.73 5.03 0.55 2.05 -4.23 -1.26 -4.93 115.64 111.13 3dcu s THR 378 Ca 0.63 0.29 0.38 0.00 -1.18 0.00 0.00 61.69 61.80 3dcu s THR 378 Cb -0.22 -3.62 0.56 0.00 1.34 0.00 0.00 72.50 70.56 3dcu s THR 378 CO 0.27 -0.02 1.75 -0.61 -0.54 0.00 0.00 174.62 175.47 3dcu h GLN 379 N 2.68 0.00 -0.12 3.99 4.15 -2.00 1.04 115.11 124.86 3dcu h GLN 379 Ca -0.46 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 58.81 3dcu h GLN 379 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 3dcu h GLN 379 CO 0.71 0.00 -0.56 0.93 -1.93 0.00 0.00 178.83 177.97 3dcu h GLU 380 N 0.00 0.38 -0.17 1.69 5.08 -1.98 0.07 114.58 119.64 3dcu h GLU 380 Ca 0.59 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3dcu h GLU 380 Cb 2.44 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.72 3dcu h GLU 380 CO -0.01 0.84 -0.11 0.93 -1.00 0.00 0.00 179.01 179.66 3dcu h GLU 381 N 0.29 0.38 -0.07 2.33 5.08 0.75 0.12 114.58 123.46 3dcu h GLU 381 Ca 0.00 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3dcu h GLU 381 Cb 1.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3dcu h GLU 381 CO 0.10 0.71 -0.00 1.88 -1.00 0.00 0.00 179.01 180.70 3dcu h TYR 382 N 0.05 -0.01 -0.34 4.33 -1.99 -1.28 -0.13 116.97 117.61 3dcu h TYR 382 Ca 0.04 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.83 3dcu h TYR 382 Cb 0.62 0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.30 3dcu h TYR 382 CO 0.07 -0.01 -0.02 0.00 -0.00 0.00 0.00 178.16 178.20 3dcu h ALA 383 N 1.06 0.28 -0.51 3.88 0.00 -0.87 -0.66 119.26 122.44 3dcu h ALA 383 Ca 0.03 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3dcu h ALA 383 Cb 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dcu h ALA 383 CO -0.06 -0.42 -0.06 -0.07 0.00 0.00 0.00 179.25 178.64 3dcu h LEU 384 N 0.07 0.94 -1.47 0.00 3.38 -0.72 -1.60 115.31 115.91 3dcu h LEU 384 Ca 0.16 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3dcu h LEU 384 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dcu h LEU 384 CO -0.29 1.05 0.02 -0.07 0.09 0.00 0.00 178.44 179.23 3dcu h LEU 385 N 0.81 0.33 0.56 1.67 3.38 -0.74 0.18 115.31 121.50 3dcu h LEU 385 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dcu h LEU 385 Cb 0.60 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3dcu h LEU 385 CO 0.04 0.38 -0.27 0.74 0.09 0.00 0.00 178.44 179.42 3dcu h THR 386 N 0.36 0.00 -0.81 0.22 2.02 -0.68 0.56 112.91 114.58 3dcu h THR 386 Ca 0.08 -0.22 0.17 0.00 0.77 0.00 0.00 66.41 67.21 3dcu h THR 386 Cb 0.21 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.52 3dcu h THR 386 CO 0.00 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.23 3dcu h ALA 387 N -1.43 1.20 -0.58 6.16 0.00 -1.21 0.53 119.26 123.93 3dcu h ALA 387 Ca -0.08 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dcu h ALA 387 Cb 0.58 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3dcu h ALA 387 CO 0.13 -0.25 0.17 0.82 0.00 0.00 0.00 179.25 180.12 3dcu h ILE 388 N 0.44 1.23 -0.37 0.00 2.04 -0.54 -0.36 117.51 119.94 3dcu h ILE 388 Ca 0.47 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3dcu h ILE 388 Cb 0.78 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3dcu h ILE 388 CO -0.45 0.30 0.02 0.58 0.00 0.00 0.00 178.15 178.60 3dcu h VAL 389 N 0.85 1.25 -0.38 1.67 2.07 0.49 -3.17 116.25 119.03 3dcu h VAL 389 Ca 0.19 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3dcu h VAL 389 Cb 0.26 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3dcu h VAL 389 CO -0.01 0.32 0.21 0.40 0.02 0.00 0.00 177.57 178.51 3dcu h ILE 390 N 0.46 1.14 -0.34 4.57 2.04 -0.08 -3.15 117.51 122.16 3dcu h ILE 390 Ca 0.11 -0.36 -0.21 0.00 1.00 0.00 0.00 64.86 65.40 3dcu h ILE 390 Cb 0.43 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 3dcu h ILE 390 CO 0.01 0.14 0.28 0.18 0.00 0.00 0.00 178.15 178.77 3dcu n LEU 391 N -4.76 5.62 -4.64 1.44 4.77 -0.19 -4.79 117.00 114.46 3dcu n LEU 391 Ca -0.00 -2.81 -0.43 0.00 -0.03 0.00 0.00 56.01 52.74 3dcu n LEU 391 Cb 0.07 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 3dcu n LEU 391 CO 0.35 1.03 0.88 -0.44 -1.33 0.00 0.00 177.39 177.88 3dcu s SER 392 N 0.57 6.90 0.20 -1.43 0.01 -1.19 -4.50 113.70 114.25 3dcu s SER 392 Ca 0.21 1.02 -0.09 0.00 1.31 0.00 0.00 55.95 58.40 3dcu s SER 392 Cb 0.17 -2.51 0.13 0.00 0.21 0.00 0.00 66.02 64.01 3dcu s SER 392 CO 0.01 -0.79 1.75 -0.65 0.41 0.00 0.00 173.24 173.97 3dcu h PRO 393 N 8.00 1.10 -1.75 12.44 0.11 -1.87 -3.19 132.00 146.84 3dcu h PRO 393 Ca -0.21 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dcu h PRO 393 Cb 1.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3dcu h PRO 393 CO 0.99 0.92 0.00 -0.40 -0.21 0.00 0.00 178.00 179.31 3dcu n ASP 394 N -4.32 3.46 -4.86 -2.05 5.75 -1.26 -4.74 116.55 108.54 3dcu n ASP 394 Ca 0.06 -1.88 -0.33 0.00 -0.01 0.00 0.00 54.79 52.63 3dcu n ASP 394 Cb 0.20 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 3dcu n ASP 394 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3dcu s ARG 395 N 0.41 3.92 0.85 0.11 1.81 -1.21 -5.04 118.95 119.80 3dcu s ARG 395 Ca 0.00 0.47 -0.11 0.00 -1.72 0.00 0.00 55.73 54.37 3dcu s ARG 395 Cb 0.00 -2.63 0.11 0.00 -0.45 0.00 0.00 34.95 31.97 3dcu s ARG 395 CO 0.00 0.29 1.14 -1.14 -0.68 0.00 0.00 175.30 174.92 3dcu s GLN 396 N -2.69 1.48 -1.41 3.54 0.74 -1.26 -3.41 119.66 116.64 3dcu s GLN 396 Ca 0.48 1.49 -0.09 0.00 0.05 0.00 0.00 55.36 57.28 3dcu s GLN 396 Cb -0.12 -1.78 0.06 0.00 1.10 0.00 0.00 33.01 32.27 3dcu s GLN 396 CO 0.20 -2.28 0.64 0.66 -0.55 0.00 0.00 175.29 173.96 3dcu n TYR 397 N -3.84 -1.96 -4.21 1.67 4.01 -1.26 -4.91 117.16 106.65 3dcu n TYR 397 Ca 0.11 0.59 -0.34 0.00 -0.16 0.00 0.00 57.90 58.10 3dcu n TYR 397 Cb 0.52 -3.57 -0.10 0.00 -0.31 0.00 0.00 39.34 35.88 3dcu n TYR 397 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3dcu s ILE 398 N -3.08 4.43 0.00 -0.72 -1.09 -1.22 -4.84 121.20 114.68 3dcu s ILE 398 Ca 0.45 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3dcu s ILE 398 Cb -0.23 -2.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3dcu s ILE 398 CO 0.55 0.51 0.00 0.29 -1.23 0.00 0.00 174.94 175.07 3dcu n LYS 399 N 3.12 0.00 -2.27 2.79 5.02 -1.26 -4.59 118.16 120.96 3dcu n LYS 399 Ca -0.17 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 3dcu n LYS 399 Cb 0.53 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3dcu n LYS 399 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dcu n ASP 400 N -1.89 4.91 0.28 4.39 9.92 -1.26 -4.78 116.55 128.12 3dcu n ASP 400 Ca 0.00 -3.07 0.15 0.00 -0.53 0.00 0.00 54.79 51.34 3dcu n ASP 400 Cb 0.00 -1.51 0.84 0.00 -0.64 0.00 0.00 41.12 39.81 3dcu n ASP 400 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3dcu h ARG 401 N 5.84 0.00 -0.40 -1.24 3.08 -1.85 -1.40 114.38 118.41 3dcu h ARG 401 Ca 0.42 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.34 3dcu h ARG 401 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3dcu h ARG 401 CO 1.65 0.06 -0.25 0.93 -1.07 0.00 0.00 179.97 181.30 3dcu h GLU 402 N 0.00 0.88 -0.41 0.04 5.08 -1.93 -2.54 114.58 115.70 3dcu h GLU 402 Ca -0.00 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3dcu h GLU 402 Cb 0.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3dcu h GLU 402 CO 0.01 1.05 0.27 0.00 -1.00 0.00 0.00 179.01 179.34 3dcu h ALA 403 N 0.80 1.73 -0.09 3.43 0.00 -1.66 -2.14 119.26 121.33 3dcu h ALA 403 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3dcu h ALA 403 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dcu h ALA 403 CO 0.07 0.25 -0.27 0.28 0.00 0.00 0.00 179.25 179.57 3dcu h VAL 404 N 0.53 1.40 -0.69 0.00 2.07 -1.34 -3.19 116.25 115.04 3dcu h VAL 404 Ca 0.15 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 66.18 3dcu h VAL 404 Cb -0.04 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 3dcu h VAL 404 CO -0.03 0.47 0.26 -0.33 0.02 0.00 0.00 177.57 177.95 3dcu h GLU 405 N -0.11 0.41 -0.23 1.57 5.08 -1.06 0.25 114.58 120.49 3dcu h GLU 405 Ca -0.01 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3dcu h GLU 405 Cb 0.89 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3dcu h GLU 405 CO 0.06 0.27 0.22 1.57 -1.00 0.00 0.00 179.01 180.13 3dcu h LYS 406 N 0.42 0.00 0.01 2.33 -0.00 -1.39 0.12 116.57 118.06 3dcu h LYS 406 Ca 0.37 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 60.72 3dcu h LYS 406 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.70 3dcu h LYS 406 CO -0.37 0.00 -1.73 1.28 -0.00 0.00 0.00 179.45 178.63 3dcu n LEU 407 N -3.93 1.03 0.15 7.07 4.77 0.73 -4.35 117.00 122.47 3dcu n LEU 407 Ca 0.03 0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 3dcu n LEU 407 Cb 0.36 0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 3dcu n LEU 407 CO 0.29 0.43 -0.25 -0.61 -1.33 0.00 0.00 177.39 175.93 3dcu h GLN 408 N 0.01 0.54 -0.47 3.23 4.15 0.27 -3.37 115.11 119.46 3dcu h GLN 408 Ca -0.30 -0.92 0.09 0.00 0.77 0.00 0.00 58.65 58.29 3dcu h GLN 408 Cb 2.02 0.34 -0.10 0.00 0.21 0.00 0.00 27.48 29.95 3dcu h GLN 408 CO 0.08 1.44 -0.34 0.93 -1.93 0.00 0.00 178.83 179.01 3dcu h GLU 409 N 0.15 -0.22 -0.97 1.69 5.08 -1.02 -2.11 114.58 117.17 3dcu h GLU 409 Ca -0.26 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.33 3dcu h GLU 409 Cb 2.17 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 31.38 3dcu h GLU 409 CO 0.27 -0.14 0.62 -1.35 -1.00 0.00 0.00 179.01 177.41 3dcu h PRO 410 N -0.23 0.52 -0.03 2.33 0.11 -1.78 -2.03 132.00 130.90 3dcu h PRO 410 Ca 0.19 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 3dcu h PRO 410 Cb 0.55 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3dcu h PRO 410 CO -0.59 0.35 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.20 3dcu h LEU 411 N 0.54 0.29 -0.48 2.35 3.38 -1.59 -2.75 115.31 117.05 3dcu h LEU 411 Ca 0.54 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.90 3dcu h LEU 411 Cb 1.15 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 3dcu h LEU 411 CO -0.28 0.96 -0.18 -0.07 0.09 0.00 0.00 178.44 178.96 3dcu h LEU 412 N -0.36 -0.64 -0.57 1.67 3.38 -0.87 0.15 115.31 118.08 3dcu h LEU 412 Ca -0.03 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dcu h LEU 412 Cb 0.98 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 3dcu h LEU 412 CO 0.06 -0.21 0.37 0.44 0.09 0.00 0.00 178.44 179.19 3dcu h ASP 413 N -0.08 0.66 -0.66 -0.43 3.32 -1.50 0.38 116.42 118.11 3dcu h ASP 413 Ca 0.23 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3dcu h ASP 413 Cb 0.43 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 3dcu h ASP 413 CO -0.53 0.48 0.38 0.58 -1.72 0.00 0.00 179.24 178.43 3dcu h VAL 414 N 0.77 1.01 -0.20 -1.35 2.07 -0.95 1.16 116.25 118.75 3dcu h VAL 414 Ca 0.21 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3dcu h VAL 414 Cb -0.08 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3dcu h VAL 414 CO -0.04 0.13 0.10 0.25 0.02 0.00 0.00 177.57 178.03 3dcu h LEU 415 N 0.72 0.27 -0.03 2.57 5.85 0.22 -2.04 115.31 122.86 3dcu h LEU 415 Ca 0.29 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dcu h LEU 415 Cb 0.13 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3dcu h LEU 415 CO -0.16 0.31 0.02 -0.61 -0.34 0.00 0.00 178.44 177.66 3dcu h GLN 416 N 0.21 0.05 -0.75 1.25 4.15 0.83 -1.08 115.11 119.77 3dcu h GLN 416 Ca 0.07 -0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.65 3dcu h GLN 416 Cb 0.11 -0.01 -0.13 0.00 0.21 0.00 0.00 27.48 27.66 3dcu h GLN 416 CO -0.01 0.16 0.03 0.87 -1.93 0.00 0.00 178.83 177.94 3dcu h LYS 417 N -0.07 0.12 -0.68 1.69 1.57 0.15 0.23 116.57 119.57 3dcu h LYS 417 Ca 0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3dcu h LYS 417 Cb 0.12 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3dcu h LYS 417 CO -0.00 0.08 0.31 -0.07 -0.57 0.00 0.00 179.45 179.19 3dcu h LEU 418 N 0.12 0.91 -0.55 2.94 3.38 -0.99 -1.76 115.31 119.36 3dcu h LEU 418 Ca 0.41 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3dcu h LEU 418 Cb 0.72 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3dcu h LEU 418 CO -0.64 0.80 0.31 0.00 0.09 0.00 0.00 178.44 179.00 3dcu h LYS 420 N 0.60 0.26 0.06 0.00 1.57 -0.66 -0.95 116.57 117.45 3dcu h LYS 420 Ca 0.24 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3dcu h LYS 420 Cb 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3dcu h LYS 420 CO -0.14 0.43 -0.03 0.82 -0.57 0.00 0.00 179.45 179.97 3dcu h ILE 421 N 0.24 0.00 0.00 1.86 2.04 -0.43 -3.25 117.51 117.97 3dcu h ILE 421 Ca 0.05 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3dcu h ILE 421 Cb 0.45 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3dcu h ILE 421 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.59 3dcu n HIS 422 N -2.93 0.00 -2.68 1.37 8.25 0.09 -3.87 115.22 115.45 3dcu n HIS 422 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 3dcu n HIS 422 Cb 0.03 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.20 3dcu n HIS 422 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dcu n GLN 423 N -0.90 1.15 0.09 -0.41 1.13 -0.36 -4.93 117.38 113.14 3dcu n GLN 423 Ca 0.18 -2.84 0.02 0.00 -1.94 0.00 0.00 57.00 52.42 3dcu n GLN 423 Cb 0.08 -0.91 0.37 0.00 0.11 0.00 0.00 30.24 29.89 3dcu n GLN 423 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3dcu h PRO 424 N 2.72 0.32 0.75 -1.09 0.13 -1.66 -3.17 132.00 130.00 3dcu h PRO 424 Ca -0.15 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3dcu h PRO 424 Cb 1.21 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3dcu h PRO 424 CO 0.34 0.41 -0.36 0.93 -0.23 0.00 0.00 178.00 179.09 3dcu h GLU 425 N 0.31 -0.97 -4.35 0.86 3.07 -1.91 -3.39 114.58 108.19 3dcu h GLU 425 Ca 0.07 0.07 -0.73 0.00 -0.50 0.00 0.00 59.36 58.26 3dcu h GLU 425 Cb 0.33 0.22 -0.22 0.00 -0.84 0.00 0.00 28.75 28.24 3dcu h GLU 425 CO 0.02 -0.64 -0.33 1.21 -1.40 0.00 0.00 179.01 177.86 3dcu s ASN 426 N -4.32 6.15 0.32 1.42 2.47 -1.20 -4.96 114.94 114.81 3dcu s ASN 426 Ca -0.18 -1.25 0.11 0.00 0.42 0.00 0.00 52.86 51.96 3dcu s ASN 426 Cb 0.03 -2.18 0.51 0.00 -1.45 0.00 0.00 41.25 38.16 3dcu s ASN 426 CO 0.60 -0.62 1.71 -0.65 -3.72 0.00 0.00 177.10 174.41 3dcu h PRO 427 N 8.74 0.01 0.00 0.43 0.11 -1.77 -3.23 132.00 136.29 3dcu h PRO 427 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dcu h PRO 427 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dcu h PRO 427 CO 0.86 0.51 0.00 1.04 -0.21 0.00 0.00 178.00 180.20 3dcu n GLN 428 N -3.94 0.92 0.11 1.05 1.13 -1.26 -4.17 117.38 111.23 3dcu n GLN 428 Ca -0.01 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.91 3dcu n GLN 428 Cb 0.52 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.36 3dcu n GLN 428 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3dcu h HIS 429 N 0.00 -0.97 -0.47 1.08 2.76 -1.92 -1.22 115.15 114.41 3dcu h HIS 429 Ca 0.00 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 3dcu h HIS 429 Cb 0.00 0.41 -0.08 0.00 1.55 0.00 0.00 27.41 29.29 3dcu h HIS 429 CO 0.00 -0.46 -0.07 0.35 -1.30 0.00 0.00 177.93 176.45 3dcu h PHE 430 N -0.57 -0.17 0.00 5.26 3.57 -1.87 0.16 116.94 123.32 3dcu h PHE 430 Ca 0.03 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3dcu h PHE 430 Cb 0.61 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 3dcu h PHE 430 CO -0.32 -0.17 -0.15 0.00 -2.23 0.00 0.00 178.31 175.44 3dcu h ALA 431 N 1.45 1.72 -0.34 2.41 0.00 -1.75 -0.69 119.26 122.06 3dcu h ALA 431 Ca 0.23 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3dcu h ALA 431 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dcu h ALA 431 CO -0.45 0.19 -0.45 0.00 0.00 0.00 0.00 179.25 178.54 3dcu h LEU 433 N 0.70 -0.04 -2.19 0.00 3.38 0.41 -2.55 115.31 115.01 3dcu h LEU 433 Ca 0.04 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3dcu h LEU 433 Cb 1.04 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dcu h LEU 433 CO 0.10 0.08 0.06 -0.07 0.09 0.00 0.00 178.44 178.71 3dcu h LEU 434 N -0.16 0.00 -0.92 1.67 3.38 -1.09 -2.10 115.31 116.09 3dcu h LEU 434 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3dcu h LEU 434 Cb 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3dcu h LEU 434 CO 0.01 0.00 0.58 1.23 0.09 0.00 0.00 178.44 180.34 3dcu h GLY 435 N 0.00 1.43 0.42 0.83 0.00 -0.91 -1.10 103.07 103.74 3dcu h GLY 435 Ca 0.03 -0.41 0.12 0.00 0.00 0.00 0.00 47.33 47.08 3dcu h GLY 435 CO -0.00 0.24 0.54 3.21 0.00 0.00 0.00 176.54 180.54 3dcu h ARG 436 N 1.01 0.82 -0.99 4.80 2.47 -1.41 -0.00 114.38 121.08 3dcu h ARG 436 Ca 0.42 -0.05 0.23 0.00 -1.26 0.00 0.00 59.98 59.32 3dcu h ARG 436 Cb 0.27 -0.19 -0.12 0.00 -1.65 0.00 0.00 29.97 28.28 3dcu h ARG 436 CO -0.20 0.54 0.57 -0.07 0.56 0.00 0.00 179.97 181.37 3dcu h LEU 437 N 0.85 0.65 -0.01 3.04 3.38 -1.31 0.65 115.31 122.56 3dcu h LEU 437 Ca 0.47 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 3dcu h LEU 437 Cb 0.51 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dcu h LEU 437 CO -0.29 0.12 -0.09 0.74 0.09 0.00 0.00 178.44 179.01 3dcu h THR 438 N 0.59 1.55 -0.75 0.22 2.02 -1.06 -2.70 112.91 112.77 3dcu h THR 438 Ca 0.62 -1.73 0.14 0.00 0.77 0.00 0.00 66.41 66.21 3dcu h THR 438 Cb 1.14 2.67 -0.09 0.00 -1.74 0.00 0.00 68.15 70.12 3dcu h THR 438 CO -0.46 0.46 0.31 -0.33 0.37 0.00 0.00 175.52 175.86 3dcu h GLU 439 N -0.60 0.44 0.05 6.66 5.08 -0.06 -0.82 114.58 125.35 3dcu h GLU 439 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3dcu h GLU 439 Cb 0.80 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3dcu h GLU 439 CO 0.02 0.29 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.13 3dcu h LEU 440 N 0.46 -0.33 -0.74 1.33 3.38 0.18 -2.52 115.31 117.06 3dcu h LEU 440 Ca 0.41 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.56 3dcu h LEU 440 Cb 0.61 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.35 3dcu h LEU 440 CO -0.39 -0.17 -0.25 0.03 0.09 0.00 0.00 178.44 177.75 3dcu h ARG 441 N -0.23 -0.04 -0.90 1.13 2.47 -0.82 0.11 114.38 116.10 3dcu h ARG 441 Ca 0.03 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.00 3dcu h ARG 441 Cb 0.25 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.43 3dcu h ARG 441 CO -0.08 -0.03 0.22 1.15 0.56 0.00 0.00 179.97 181.80 3dcu h THR 442 N -0.04 0.25 0.00 2.04 2.02 -0.98 0.11 112.91 116.30 3dcu h THR 442 Ca 0.33 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 3dcu h THR 442 Cb 0.56 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3dcu h THR 442 CO -0.78 0.03 -0.02 -0.26 0.37 0.00 0.00 175.52 174.86 3dcu h PHE 443 N 0.16 0.00 -0.78 3.16 -1.00 -0.74 -2.78 116.94 114.96 3dcu h PHE 443 Ca 0.58 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.31 3dcu h PHE 443 Cb 1.21 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.73 3dcu h PHE 443 CO -0.28 0.02 0.30 -0.91 -1.61 0.00 0.00 178.31 175.83 3dcu h ASN 444 N 0.00 1.09 0.18 2.17 2.35 -0.81 0.11 115.58 120.66 3dcu h ASN 444 Ca -0.00 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3dcu h ASN 444 Cb 0.12 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3dcu h ASN 444 CO 0.00 0.98 -0.30 0.45 -1.65 0.00 0.00 177.43 176.91 3dcu h HIS 445 N 1.15 -0.80 -0.56 1.19 -0.00 -1.63 -1.72 115.15 112.77 3dcu h HIS 445 Ca 0.26 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.73 3dcu h HIS 445 Cb 0.23 0.33 -0.07 0.00 -0.00 0.00 0.00 27.41 27.91 3dcu h HIS 445 CO 0.02 -0.41 0.19 1.12 -0.00 0.00 0.00 177.93 178.85 3dcu h HIS 446 N -0.55 0.33 -0.53 2.45 -0.00 -1.56 -2.79 115.15 112.50 3dcu h HIS 446 Ca 0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 3dcu h HIS 446 Cb 0.55 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3dcu h HIS 446 CO -0.24 0.08 0.25 1.25 -0.00 0.00 0.00 177.93 179.27 3dcu h HIS 447 N 0.36 0.77 -0.60 6.12 6.17 -0.34 -1.60 115.15 126.02 3dcu h HIS 447 Ca 0.28 -0.04 0.08 0.00 0.71 0.00 0.00 60.37 61.40 3dcu h HIS 447 Cb 0.34 -0.24 -0.04 0.00 2.52 0.00 0.00 27.41 29.99 3dcu h HIS 447 CO -0.18 0.60 0.40 0.00 0.71 0.00 0.00 177.93 179.47 3dcu h ALA 448 N 1.09 1.89 0.64 5.26 0.00 -1.07 -1.26 119.26 125.80 3dcu h ALA 448 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dcu h ALA 448 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dcu h ALA 448 CO -0.02 -0.00 -0.32 0.93 0.00 0.00 0.00 179.25 179.84 3dcu h GLU 449 N 0.52 -0.84 -0.57 0.00 4.39 -1.08 -2.78 114.58 114.23 3dcu h GLU 449 Ca 0.27 0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.08 3dcu h GLU 449 Cb 0.39 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 3dcu h GLU 449 CO -0.08 -0.56 0.38 1.98 -1.16 0.00 0.00 179.01 179.57 3dcu h MET 450 N -0.87 0.55 -0.57 2.33 4.05 -0.77 -0.13 114.93 119.52 3dcu h MET 450 Ca -0.09 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3dcu h MET 450 Cb 0.67 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3dcu h MET 450 CO 0.14 0.36 0.32 -0.07 0.23 0.00 0.00 176.91 177.88 3dcu h LEU 451 N 0.56 0.70 -0.42 3.39 3.38 -1.21 0.13 115.31 121.85 3dcu h LEU 451 Ca 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3dcu h LEU 451 Cb 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dcu h LEU 451 CO -0.07 0.59 0.23 0.24 0.09 0.00 0.00 178.44 179.52 3dcu h MET 452 N 0.76 0.59 0.61 1.13 2.86 -0.86 -0.05 114.93 119.97 3dcu h MET 452 Ca 0.20 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3dcu h MET 452 Cb 0.04 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3dcu h MET 452 CO -0.03 0.47 -0.49 1.03 1.06 0.00 0.00 176.91 178.94 3dcu h SER 453 N 0.55 -1.31 -0.76 1.22 0.87 -0.68 -1.19 113.55 112.25 3dcu h SER 453 Ca 0.15 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.94 3dcu h SER 453 Cb 0.05 0.41 -0.09 0.00 -0.44 0.00 0.00 62.40 62.34 3dcu h SER 453 CO -0.02 -0.69 0.32 -0.50 -0.53 0.00 0.00 176.83 175.40 3dcu h TRP 454 N -1.07 0.55 -0.03 2.24 6.55 -0.98 -2.54 115.95 120.68 3dcu h TRP 454 Ca -0.08 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.82 3dcu h TRP 454 Cb 0.90 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 29.04 3dcu h TRP 454 CO -0.19 0.10 -0.13 0.00 -1.05 0.00 0.00 178.44 177.16 3dcu h ARG 455 N 0.48 -0.21 0.00 0.49 2.47 -0.69 -0.07 114.38 116.86 3dcu h ARG 455 Ca 0.41 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 3dcu h ARG 455 Cb 0.59 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 3dcu h ARG 455 CO -0.38 -0.14 0.00 -0.39 0.56 0.00 0.00 179.97 179.62 3dcu h VAL 456 N -0.21 0.00 -0.81 2.04 -1.51 -0.84 -0.52 116.25 114.40 3dcu h VAL 456 Ca 0.06 -0.16 -0.46 0.00 -1.23 0.00 0.00 66.70 64.91 3dcu h VAL 456 Cb 0.29 1.10 -0.25 0.00 -2.13 0.00 0.00 31.29 30.30 3dcu h VAL 456 CO -0.15 0.00 0.58 0.59 -1.23 0.00 0.00 177.57 177.36 3dcu n ASN 457 N -2.97 4.64 -4.26 4.19 3.02 -0.13 -4.90 115.26 114.84 3dcu n ASN 457 Ca -0.02 -3.36 -0.30 0.00 -0.03 0.00 0.00 54.58 50.87 3dcu n ASN 457 Cb 0.14 -0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 38.39 3dcu n ASN 457 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dcu n ASP 458 N -0.72 0.59 -4.79 6.41 2.03 -0.20 -4.89 116.55 114.97 3dcu n ASP 458 Ca 0.49 -1.23 -0.39 0.00 0.52 0.00 0.00 54.79 54.19 3dcu n ASP 458 Cb 1.22 -1.86 -0.06 0.00 -0.72 0.00 0.00 41.12 39.70 3dcu n ASP 458 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3dcu s HIS 459 N -4.26 3.78 -0.32 -0.67 3.76 -0.65 -5.03 115.29 111.91 3dcu s HIS 459 Ca 0.04 1.29 -0.26 0.00 -0.15 0.00 0.00 55.06 55.98 3dcu s HIS 459 Cb -0.02 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 31.12 3dcu s HIS 459 CO 0.98 0.51 0.90 -1.59 -0.85 0.00 0.00 174.74 174.69 3dcu s LYS 460 N -0.83 3.97 0.04 1.40 0.00 -1.26 -4.76 119.74 118.31 3dcu s LYS 460 Ca 0.30 0.73 0.01 0.00 0.00 0.00 0.00 55.97 57.01 3dcu s LYS 460 Cb -0.19 -3.74 0.01 0.00 0.00 0.00 0.00 37.83 33.90 3dcu s LYS 460 CO 0.19 -0.79 0.04 1.19 0.00 0.00 0.00 175.35 175.99 3dcu n PHE 461 N 6.49 -2.11 -4.45 1.78 0.99 -1.26 -4.98 117.46 113.92 3dcu n PHE 461 Ca 0.07 -0.16 -0.25 0.00 -0.00 0.00 0.00 57.45 57.11 3dcu n PHE 461 Cb 0.48 -0.04 -0.10 0.00 -1.00 0.00 0.00 39.48 38.82 3dcu n PHE 461 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3dcu s THR 462 N 0.23 2.48 0.45 4.37 -4.23 -1.26 -5.01 115.64 112.66 3dcu s THR 462 Ca 0.03 -2.27 0.16 0.00 -1.18 0.00 0.00 61.69 58.44 3dcu s THR 462 Cb -0.00 -2.26 0.35 0.00 1.34 0.00 0.00 72.50 71.92 3dcu s THR 462 CO 0.02 -0.31 1.97 1.55 -0.54 0.00 0.00 174.62 177.31 3dcu h PRO 463 N 2.56 0.33 0.37 3.99 0.13 -2.01 0.22 132.00 137.59 3dcu h PRO 463 Ca -0.42 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3dcu h PRO 463 Cb 1.24 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3dcu h PRO 463 CO 0.56 0.22 -0.18 1.25 -0.23 0.00 0.00 178.00 179.63 3dcu h LEU 464 N 0.34 -0.42 -1.03 1.56 5.85 -1.98 -2.80 115.31 116.84 3dcu h LEU 464 Ca 0.30 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.00 3dcu h LEU 464 Cb 0.71 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 3dcu h LEU 464 CO -0.08 0.03 0.63 -0.07 -0.34 0.00 0.00 178.44 178.62 3dcu h LEU 465 N -1.01 0.96 -1.20 2.25 3.38 -1.82 -1.22 115.31 116.64 3dcu h LEU 465 Ca -0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3dcu h LEU 465 Cb 0.51 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3dcu h LEU 465 CO 0.08 0.56 0.24 0.00 0.09 0.00 0.00 178.44 179.41 3dcu h GLU 467 N 0.79 -0.63 -0.79 0.00 4.81 -0.98 0.69 114.58 118.47 3dcu h GLU 467 Ca 0.19 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.64 3dcu h GLU 467 Cb 0.13 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3dcu h GLU 467 CO -0.02 -0.42 0.53 0.97 -0.73 0.00 0.00 179.01 179.34 3dcu h ILE 468 N -0.94 0.73 -0.37 2.32 6.09 -1.25 -2.10 117.51 121.99 3dcu h ILE 468 Ca -0.07 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3dcu h ILE 468 Cb 0.50 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.15 3dcu h ILE 468 CO 0.11 0.06 0.00 0.79 -3.07 0.00 0.00 178.15 176.04 3dcu n TRP 469 N -4.46 1.21 -3.59 2.19 8.01 -0.44 -4.64 117.44 115.71 3dcu n TRP 469 Ca 0.16 -0.79 -0.20 0.00 -1.31 0.00 0.00 57.50 55.36 3dcu n TRP 469 Cb 0.62 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.59 3dcu n TRP 469 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dcu n ASP 470 N -0.04 -5.60 -4.03 -0.99 8.00 -0.36 -4.98 116.55 108.55 3dcu n ASP 470 Ca 0.22 -0.68 -0.30 0.00 0.71 0.00 0.00 54.79 54.74 3dcu n ASP 470 Cb 0.92 -2.54 -0.16 0.00 -0.02 0.00 0.00 41.12 39.32 3dcu n ASP 470 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dcu s VAL 471 N -2.87 1.64 -1.02 2.53 -7.23 0.09 -5.03 120.40 108.51 3dcu s VAL 471 Ca 0.03 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 3dcu s VAL 471 Cb -0.00 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.36 3dcu s VAL 471 CO 0.86 0.40 0.26 0.00 -0.31 0.00 0.00 175.10 176.31