#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3j n ASP 284 N 0.00 1.53 0.10 -2.24 5.75 -1.26 -4.47 116.55 115.96 1j3j n ASP 284 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 1j3j n ASP 284 Cb 0.00 1.53 0.00 0.00 -1.03 0.00 0.00 41.12 41.62 1j3j n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1j3j h GLU 285 N 0.00 0.00 0.00 0.11 3.07 -2.05 -2.57 114.58 113.14 1j3j h GLU 285 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1j3j h GLU 285 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1j3j h GLU 285 CO 0.00 0.07 0.00 0.39 -1.40 0.00 0.00 179.01 178.08 1j3j n GLU 286 N -2.78 0.32 -0.11 2.33 1.02 -1.26 -0.04 120.64 120.12 1j3j n GLU 286 Ca -0.01 0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 1j3j n GLU 286 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1j3j n GLU 286 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1j3j n GLU 287 N -1.08 0.56 -0.31 3.49 2.13 -1.01 -4.29 120.64 120.13 1j3j n GLU 287 Ca 0.08 0.14 -0.03 0.00 0.66 0.00 0.00 57.16 58.00 1j3j n GLU 287 Cb 0.05 -1.45 0.11 0.00 0.27 0.00 0.00 31.44 30.42 1j3j n GLU 287 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1j3j h ASP 288 N -0.06 1.09 -1.00 4.31 3.32 -0.07 -0.26 116.42 123.75 1j3j h ASP 288 Ca -0.51 -0.10 0.23 0.00 0.02 0.00 0.00 57.03 56.66 1j3j h ASP 288 Cb 1.77 -0.28 -0.10 0.00 0.22 0.00 0.00 39.33 40.95 1j3j h ASP 288 CO -0.10 0.88 0.63 0.44 -1.72 0.00 0.00 179.24 179.37 1j3j h ASP 289 N 1.22 0.59 -0.46 6.45 3.32 -1.27 0.72 116.42 126.98 1j3j h ASP 289 Ca 0.31 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.47 1j3j h ASP 289 Cb 0.04 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1j3j h ASP 289 CO -0.05 0.17 0.27 0.15 -1.72 0.00 0.00 179.24 178.06 1j3j h PHE 290 N 0.55 0.50 -0.80 4.55 3.04 -1.23 -0.08 116.94 123.47 1j3j h PHE 290 Ca 0.58 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.58 1j3j h PHE 290 Cb 1.21 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.50 1j3j h PHE 290 CO -0.00 0.29 0.50 0.28 -2.02 0.00 0.00 178.31 177.35 1j3j h VAL 291 N 0.54 1.09 0.44 1.41 2.07 0.62 -2.75 116.25 119.67 1j3j h VAL 291 Ca 0.19 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1j3j h VAL 291 Cb 0.03 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1j3j h VAL 291 CO -0.09 0.18 -0.21 1.88 0.02 0.00 0.00 177.57 179.34 1j3j h TYR 292 N 0.96 -0.54 -0.30 1.57 0.05 -0.57 -3.03 116.97 115.10 1j3j h TYR 292 Ca 0.33 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.19 1j3j h TYR 292 Cb 0.06 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1j3j h TYR 292 CO -0.03 -0.23 0.62 0.74 -1.05 0.00 0.00 178.16 178.21 1j3j h PHE 293 N -0.85 0.00 -0.60 4.88 0.04 -0.84 0.49 116.94 120.06 1j3j h PHE 293 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1j3j h PHE 293 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1j3j h PHE 293 CO 0.01 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.81 1j3j n ASN 294 N -3.16 4.56 0.25 2.17 3.02 -1.05 -4.57 115.26 116.48 1j3j n ASN 294 Ca 0.06 -2.46 0.17 0.00 -0.03 0.00 0.00 54.58 52.32 1j3j n ASN 294 Cb 0.74 -0.57 0.91 0.00 -0.61 0.00 0.00 39.78 40.25 1j3j n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3j h PHE 295 N 3.81 0.00 -0.58 3.10 -0.00 -0.08 -3.10 116.94 120.10 1j3j h PHE 295 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 57.72 1j3j h PHE 295 Cb 1.42 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 37.22 1j3j h PHE 295 CO 0.75 0.00 0.19 -1.71 -0.00 0.00 0.00 178.31 177.54 1j3j n ASN 296 N -2.67 3.43 -4.17 -0.68 5.15 -1.26 -4.99 115.26 110.06 1j3j n ASN 296 Ca -0.02 -3.53 -0.29 0.00 -0.60 0.00 0.00 54.58 50.13 1j3j n ASN 296 Cb 0.06 -0.70 0.18 0.00 -0.53 0.00 0.00 39.78 38.80 1j3j n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j3j s LYS 297 N -3.16 0.71 0.00 1.20 -0.14 -1.17 -5.07 119.74 112.10 1j3j s LYS 297 Ca 0.49 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1j3j s LYS 297 Cb 0.42 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 34.69 1j3j s LYS 297 CO 0.06 -2.35 0.00 0.39 -0.76 0.00 0.00 175.35 172.70 1j3j n GLU 298 N -3.70 1.82 0.00 1.68 1.02 -1.26 -5.03 120.64 115.17 1j3j n GLU 298 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1j3j n GLU 298 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1j3j n GLU 298 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3j n LYS 299 N -0.59 3.15 -4.30 3.49 3.00 -1.26 -5.04 118.16 116.61 1j3j n LYS 299 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1j3j n LYS 299 Cb 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 35.03 34.23 1j3j n LYS 299 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1j3j s GLU 300 N -0.90 1.00 0.28 1.64 2.02 -1.26 -5.11 118.70 116.38 1j3j s GLU 300 Ca 0.00 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 53.72 1j3j s GLU 300 Cb 0.00 -1.10 -0.10 0.00 0.10 0.00 0.00 34.13 33.03 1j3j s GLU 300 CO 0.00 0.26 1.11 -1.21 0.02 0.00 0.00 175.26 175.44 1j3j s GLU 301 N -1.60 4.62 0.10 1.61 2.02 -1.26 -4.98 118.70 119.22 1j3j s GLU 301 Ca 0.02 1.82 -0.15 0.00 0.02 0.00 0.00 54.97 56.68 1j3j s GLU 301 Cb -0.09 -3.18 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1j3j s GLU 301 CO 0.03 0.19 0.86 1.17 0.02 0.00 0.00 175.26 177.53 1j3j n LYS 302 N 1.16 -0.21 -0.87 1.61 4.81 -1.17 -1.77 118.16 121.71 1j3j n LYS 302 Ca -0.01 0.85 -0.03 0.00 -0.87 0.00 0.00 58.31 58.25 1j3j n LYS 302 Cb 0.45 -1.25 0.28 0.00 0.02 0.00 0.00 35.03 34.53 1j3j n LYS 302 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j3j n ASN 303 N -4.73 4.31 -0.10 3.14 3.02 -1.14 -4.68 115.26 115.07 1j3j n ASN 303 Ca 0.02 -3.26 -0.08 0.00 -0.03 0.00 0.00 54.58 51.23 1j3j n ASN 303 Cb 0.17 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 1j3j n ASN 303 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1j3j h LYS 304 N 2.25 -0.19 -0.61 3.52 1.57 -1.59 1.24 116.57 122.75 1j3j h LYS 304 Ca 0.21 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 1j3j h LYS 304 Cb 2.06 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 34.30 1j3j h LYS 304 CO 0.58 -0.13 -0.08 -0.97 -0.57 0.00 0.00 179.45 178.29 1j3j h ASN 305 N -0.20 -0.43 -0.56 0.86 -1.24 -1.83 0.48 115.58 112.66 1j3j h ASN 305 Ca 0.05 0.17 -0.09 0.00 0.71 0.00 0.00 56.30 57.14 1j3j h ASN 305 Cb 0.32 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 1j3j h ASN 305 CO -0.36 -0.16 0.03 0.77 -1.29 0.00 0.00 177.43 176.41 1j3j h SER 306 N 0.05 0.97 0.40 1.15 4.64 -1.44 -3.34 113.55 115.97 1j3j h SER 306 Ca 0.31 -0.25 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 1j3j h SER 306 Cb 0.49 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1j3j h SER 306 CO -0.58 1.01 -1.62 0.40 -0.87 0.00 0.00 176.83 175.17 1j3j h ILE 307 N 0.92 1.05 -4.68 0.95 1.08 0.29 -3.51 117.51 113.61 1j3j h ILE 307 Ca 0.17 -2.71 0.00 0.00 -0.39 0.00 0.00 64.86 61.93 1j3j h ILE 307 Cb 0.50 2.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.94 1j3j h ILE 307 CO 0.02 0.80 -0.85 1.41 -0.69 0.00 0.00 178.15 178.84 1j3j n HIS 308 N -3.43 -3.81 0.45 1.37 8.25 0.16 -4.83 115.22 113.37 1j3j n HIS 308 Ca -0.19 2.26 0.13 0.00 -0.26 0.00 0.00 57.72 59.66 1j3j n HIS 308 Cb 1.05 -3.27 0.47 0.00 1.12 0.00 0.00 29.99 29.36 1j3j n HIS 308 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1j3j h PRO 309 N 4.27 0.00 0.00 -0.41 0.11 -1.97 -2.76 132.00 131.25 1j3j h PRO 309 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1j3j h PRO 309 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1j3j h PRO 309 CO 0.00 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.08 1j3j n ASN 310 N -2.37 0.00 0.09 -2.05 2.85 -1.26 -0.29 115.26 112.22 1j3j n ASN 310 Ca 0.03 0.26 -0.04 0.00 -0.11 0.00 0.00 54.58 54.72 1j3j n ASN 310 Cb 0.31 -0.34 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 1j3j n ASN 310 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1j3j h ASP 311 N 0.00 0.00 -0.76 1.20 3.32 -1.81 -3.30 116.42 115.07 1j3j h ASP 311 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1j3j h ASP 311 Cb 0.09 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.36 1j3j h ASP 311 CO 0.00 0.83 0.16 0.49 -1.72 0.00 0.00 179.24 179.00 1j3j n PHE 312 N -3.37 2.52 -0.13 4.55 3.72 0.60 -4.81 117.46 120.54 1j3j n PHE 312 Ca 0.00 -2.29 -0.08 0.00 -0.05 0.00 0.00 57.45 55.03 1j3j n PHE 312 Cb 0.85 -0.85 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1j3j n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1j3j h GLN 313 N 1.64 -0.27 -0.31 -1.08 4.15 -1.63 0.45 115.11 118.06 1j3j h GLN 313 Ca 0.45 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.85 1j3j h GLN 313 Cb 1.51 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.25 1j3j h GLN 313 CO 1.00 -0.18 0.04 0.82 -1.93 0.00 0.00 178.83 178.57 1j3j h ILE 314 N -0.28 1.24 -0.72 2.39 2.04 -1.88 -1.53 117.51 118.76 1j3j h ILE 314 Ca 0.16 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1j3j h ILE 314 Cb 0.56 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1j3j h ILE 314 CO -0.57 0.28 0.48 0.22 0.00 0.00 0.00 178.15 178.55 1j3j h TYR 315 N 0.34 0.91 0.00 1.37 3.20 -1.55 -2.60 116.97 118.64 1j3j h TYR 315 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1j3j h TYR 315 Cb 0.37 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1j3j h TYR 315 CO 0.03 0.58 -0.39 -0.91 -1.64 0.00 0.00 178.16 175.82 1j3j h ASN 316 N 0.98 0.00 0.88 -2.11 2.35 -0.00 -3.31 115.58 114.37 1j3j h ASN 316 Ca 0.26 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1j3j h ASN 316 Cb -0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1j3j h ASN 316 CO -0.06 0.06 -0.35 0.77 -1.65 0.00 0.00 177.43 176.20 1j3j h SER 317 N 0.00 0.00 -3.95 5.81 4.64 -0.87 -3.45 113.55 115.73 1j3j h SER 317 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1j3j h SER 317 Cb 1.05 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.23 1j3j h SER 317 CO 0.01 0.35 0.66 -0.76 -0.87 0.00 0.00 176.83 176.21 1j3j s LEU 318 N -7.00 4.24 -0.23 5.97 1.43 -1.20 -4.97 118.68 116.92 1j3j s LEU 318 Ca 0.00 2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 1j3j s LEU 318 Cb 0.11 -3.83 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 1j3j s LEU 318 CO 0.68 -0.87 -0.12 1.17 0.23 0.00 0.00 176.35 177.44 1j3j n LYS 319 N 0.21 0.56 -3.94 1.70 3.00 -1.26 -4.86 118.16 113.56 1j3j n LYS 319 Ca 0.03 0.41 -0.34 0.00 -0.00 0.00 0.00 58.31 58.40 1j3j n LYS 319 Cb 0.42 -1.61 -0.14 0.00 0.00 0.00 0.00 35.03 33.71 1j3j n LYS 319 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1j3j s TYR 320 N -2.47 3.23 -0.86 5.64 2.02 -1.26 -5.03 117.35 118.63 1j3j s TYR 320 Ca -0.31 -1.90 -0.01 0.00 -0.37 0.00 0.00 57.07 54.48 1j3j s TYR 320 Cb 0.09 -2.07 0.21 0.00 -0.40 0.00 0.00 41.96 39.79 1j3j s TYR 320 CO 0.49 -0.81 0.73 0.15 -1.57 0.00 0.00 175.55 174.55 1j3j s LYS 321 N 1.24 3.15 0.00 -0.62 1.02 -1.26 -4.86 119.74 118.41 1j3j s LYS 321 Ca -0.05 -3.28 0.23 0.00 0.02 0.00 0.00 55.97 52.89 1j3j s LYS 321 Cb -0.19 -3.88 0.12 0.00 -0.52 0.00 0.00 37.83 33.36 1j3j s LYS 321 CO -0.02 -1.27 1.16 0.66 -0.92 0.00 0.00 175.35 174.96 1j3j n TYR 322 N 2.29 0.00 -1.98 3.18 4.01 -1.26 -4.87 117.16 118.53 1j3j n TYR 322 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 1j3j n TYR 322 Cb 0.37 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1j3j n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3j s HIS 323 N -2.60 3.04 0.58 -0.72 2.46 -1.26 -4.88 115.29 111.90 1j3j s HIS 323 Ca 0.17 0.86 0.29 0.00 0.47 0.00 0.00 55.06 56.85 1j3j s HIS 323 Cb 0.18 -3.86 1.47 0.00 -0.13 0.00 0.00 32.58 30.24 1j3j s HIS 323 CO 0.62 -2.97 1.91 -1.35 -2.47 0.00 0.00 174.74 170.48 1j3j h PRO 324 N 5.79 0.00 -0.01 2.88 0.11 -1.96 -0.13 132.00 138.68 1j3j h PRO 324 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1j3j h PRO 324 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j3j h PRO 324 CO 0.83 0.00 0.02 1.49 -0.21 0.00 0.00 178.00 180.13 1j3j h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.97 -0.14 114.58 118.33 1j3j h GLU 325 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1j3j h GLU 325 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1j3j h GLU 325 CO -0.00 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 1j3j n TYR 326 N -3.61 0.76 0.09 0.92 4.01 -0.06 -1.50 117.16 117.77 1j3j n TYR 326 Ca -0.03 0.31 -0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1j3j n TYR 326 Cb 0.10 -1.00 0.29 0.00 -0.31 0.00 0.00 39.34 38.42 1j3j n TYR 326 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1j3j h GLN 327 N 0.00 0.27 0.15 -0.72 4.20 -1.20 0.36 115.11 118.18 1j3j h GLN 327 Ca 0.00 -0.09 -0.34 0.00 0.06 0.00 0.00 58.65 58.27 1j3j h GLN 327 Cb 0.31 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1j3j h GLN 327 CO 0.00 0.52 -1.75 -0.92 -0.67 0.00 0.00 178.83 176.01 1j3j h TYR 328 N 0.25 0.59 -0.15 2.96 3.20 -1.42 -3.27 116.97 119.12 1j3j h TYR 328 Ca 0.04 -0.43 -0.12 0.00 3.14 0.00 0.00 58.73 61.36 1j3j h TYR 328 Cb 0.60 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1j3j h TYR 328 CO 0.01 1.61 -0.44 -0.07 -1.64 0.00 0.00 178.16 177.63 1j3j h LEU 329 N 0.09 0.39 -0.99 2.82 3.38 -1.14 -2.65 115.31 117.20 1j3j h LEU 329 Ca -0.34 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1j3j h LEU 329 Cb 2.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1j3j h LEU 329 CO 0.15 0.78 -0.45 0.78 0.09 0.00 0.00 178.44 179.79 1j3j h ASN 330 N 0.30 0.00 -0.26 -0.43 2.35 -0.43 -0.80 115.58 116.31 1j3j h ASN 330 Ca 0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1j3j h ASN 330 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1j3j h ASN 330 CO 0.07 0.45 -0.46 0.40 -1.65 0.00 0.00 177.43 176.25 1j3j h ILE 331 N 0.00 1.30 -0.62 2.81 2.04 -1.55 0.99 117.51 122.48 1j3j h ILE 331 Ca -0.00 -1.65 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 1j3j h ILE 331 Cb 0.89 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1j3j h ILE 331 CO 0.06 0.53 0.28 0.40 0.00 0.00 0.00 178.15 179.41 1j3j h ILE 332 N 0.51 1.22 -0.56 -0.67 2.04 -1.17 0.63 117.51 119.52 1j3j h ILE 332 Ca 0.02 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1j3j h ILE 332 Cb 1.06 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1j3j h ILE 332 CO 0.10 0.27 -0.03 0.22 0.00 0.00 0.00 178.15 178.71 1j3j h TYR 333 N 0.86 1.07 -0.27 1.37 3.20 -1.00 -1.09 116.97 121.12 1j3j h TYR 333 Ca 0.21 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1j3j h TYR 333 Cb 0.16 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1j3j h TYR 333 CO 0.01 0.97 0.04 0.22 -1.64 0.00 0.00 178.16 177.75 1j3j h ASP 334 N 0.89 0.43 -0.68 -2.11 3.58 -0.16 -1.16 116.42 117.21 1j3j h ASP 334 Ca 0.16 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1j3j h ASP 334 Cb 0.56 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1j3j h ASP 334 CO 0.03 0.59 0.29 0.40 -2.88 0.00 0.00 179.24 177.67 1j3j h ILE 335 N 0.25 1.24 -0.57 2.25 2.04 -0.77 0.51 117.51 122.45 1j3j h ILE 335 Ca 0.08 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 1j3j h ILE 335 Cb 0.34 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1j3j h ILE 335 CO 0.01 0.29 0.05 0.24 0.00 0.00 0.00 178.15 178.73 1j3j h MET 336 N 0.96 0.95 0.18 2.37 2.86 -1.09 0.68 114.93 121.85 1j3j h MET 336 Ca 0.23 -0.26 -0.32 0.00 -2.06 0.00 0.00 59.70 57.29 1j3j h MET 336 Cb 0.18 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.74 1j3j h MET 336 CO -0.02 0.91 -1.52 0.52 1.06 0.00 0.00 176.91 177.86 1j3j h MET 337 N 0.88 0.39 -0.02 1.72 2.86 -0.92 -3.41 114.93 116.44 1j3j h MET 337 Ca 0.17 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1j3j h MET 337 Cb 0.45 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1j3j h MET 337 CO 0.02 1.29 0.00 0.09 1.06 0.00 0.00 176.91 179.37 1j3j n ASN 338 N -3.59 1.37 -4.72 1.22 3.02 0.17 -2.90 115.26 109.84 1j3j n ASN 338 Ca -0.17 -1.25 -0.35 0.00 -0.03 0.00 0.00 54.58 52.78 1j3j n ASN 338 Cb 1.07 -0.01 0.09 0.00 -0.61 0.00 0.00 39.78 40.32 1j3j n ASN 338 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1j3j s GLY 339 N -0.34 2.50 0.02 7.41 0.00 0.24 -4.96 107.32 112.19 1j3j s GLY 339 Ca 0.03 1.00 -0.17 0.00 0.00 0.00 0.00 44.72 45.59 1j3j s GLY 339 CO 0.03 1.42 0.48 -1.31 0.00 0.00 0.00 173.10 173.73 1j3j s ASN 340 N -1.81 6.91 -0.10 1.64 0.01 -0.02 -4.70 114.94 116.86 1j3j s ASN 340 Ca 0.77 1.07 -0.26 0.00 -0.71 0.00 0.00 52.86 53.74 1j3j s ASN 340 Cb -0.32 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1j3j s ASN 340 CO 0.44 0.27 0.85 -0.54 -1.51 0.00 0.00 177.10 176.61 1j3j s LYS 341 N -0.90 4.40 0.16 -0.60 1.02 -1.26 -0.31 119.74 122.25 1j3j s LYS 341 Ca 0.26 1.11 -0.07 0.00 0.02 0.00 0.00 55.97 57.29 1j3j s LYS 341 Cb -0.18 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1j3j s LYS 341 CO 0.15 -0.17 0.22 -0.65 -0.92 0.00 0.00 175.35 173.99 1j3j s GLN 342 N 1.55 1.11 -0.73 1.68 -0.21 -0.57 -5.00 119.66 117.50 1j3j s GLN 342 Ca 0.42 -1.27 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1j3j s GLN 342 Cb -0.18 0.34 0.18 0.00 1.00 0.00 0.00 33.01 34.35 1j3j s GLN 342 CO 0.18 -0.39 0.55 -1.12 -2.12 0.00 0.00 175.29 172.39 1j3j s SER 343 N -3.00 5.24 0.27 5.90 0.01 -1.26 -0.01 113.70 120.86 1j3j s SER 343 Ca 0.20 -3.50 -0.03 0.00 1.31 0.00 0.00 55.95 53.94 1j3j s SER 343 Cb 0.04 -1.78 0.59 0.00 0.21 0.00 0.00 66.02 65.08 1j3j s SER 343 CO 0.01 -0.20 1.61 -2.24 0.41 0.00 0.00 173.24 172.84 1j3j h ASP 344 N 6.09 -0.37 -3.81 2.44 2.03 -1.91 -3.39 116.42 117.49 1j3j h ASP 344 Ca 0.09 0.23 -0.30 0.00 -0.73 0.00 0.00 57.03 56.31 1j3j h ASP 344 Cb 0.83 0.39 -0.29 0.00 -0.83 0.00 0.00 39.33 39.44 1j3j h ASP 344 CO 0.76 -0.24 -0.74 0.00 -1.03 0.00 0.00 179.24 177.98 1j3j s ARG 345 N -6.06 0.31 -0.48 4.15 1.70 -1.26 -5.04 118.95 112.28 1j3j s ARG 345 Ca -0.13 -0.11 -0.44 0.00 -0.47 0.00 0.00 55.73 54.57 1j3j s ARG 345 Cb 0.25 -0.32 -0.19 0.00 -0.57 0.00 0.00 34.95 34.13 1j3j s ARG 345 CO 0.77 0.06 1.93 2.41 -1.08 0.00 0.00 175.30 179.38 1j3j n THR 346 N 3.11 0.03 0.00 4.99 -1.04 -1.26 -2.15 114.28 117.97 1j3j n THR 346 Ca -0.14 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1j3j n THR 346 Cb 0.58 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1j3j n THR 346 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j3j n GLY 347 N 6.00 3.03 0.30 3.41 0.00 -1.26 -4.95 105.19 111.71 1j3j n GLY 347 Ca 0.44 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 1j3j n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j3j h VAL 348 N 0.00 0.48 -0.87 1.61 2.07 -1.79 -3.50 116.25 114.24 1j3j h VAL 348 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j3j h VAL 348 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1j3j h VAL 348 CO 0.00 0.00 -0.16 0.61 0.02 0.00 0.00 177.57 178.04 1j3j n GLY 349 N -1.39 -3.68 3.40 2.17 0.00 -1.25 -4.72 105.19 99.71 1j3j n GLY 349 Ca -0.12 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1j3j n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3j s VAL 350 N -0.94 0.00 -0.09 1.61 -7.23 0.99 -2.61 120.40 112.13 1j3j s VAL 350 Ca 0.00 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1j3j s VAL 350 Cb 0.00 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1j3j s VAL 350 CO 0.00 0.00 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.80 1j3j s LEU 351 N -3.31 2.14 0.09 1.32 1.43 -0.42 -1.51 118.68 118.41 1j3j s LEU 351 Ca 0.35 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1j3j s LEU 351 Cb 0.01 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1j3j s LEU 351 CO 0.24 0.19 -0.05 -0.94 0.23 0.00 0.00 176.35 176.03 1j3j s SER 352 N 0.14 0.94 0.12 2.29 1.04 0.57 -0.82 113.70 117.98 1j3j s SER 352 Ca -0.12 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.26 1j3j s SER 352 Cb -0.16 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 1j3j s SER 352 CO 0.07 -0.51 0.11 -0.54 0.98 0.00 0.00 173.24 173.35 1j3j s LYS 353 N -3.86 0.93 -0.19 4.02 -0.14 -0.05 -0.84 119.74 119.60 1j3j s LYS 353 Ca 0.11 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 53.42 1j3j s LYS 353 Cb 0.06 0.28 0.04 0.00 -1.68 0.00 0.00 37.83 36.53 1j3j s LYS 353 CO -0.06 -0.28 -0.08 0.12 -0.76 0.00 0.00 175.35 174.29 1j3j s PHE 354 N -3.99 2.15 0.00 3.18 5.36 -1.26 -1.04 117.98 122.37 1j3j s PHE 354 Ca 0.18 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.74 1j3j s PHE 354 Cb 0.06 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 1j3j s PHE 354 CO -0.02 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.46 1j3j n GLY 355 N 4.76 -0.93 3.23 13.12 0.00 -0.27 -5.02 105.19 120.07 1j3j n GLY 355 Ca -0.14 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1j3j n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3j s TYR 356 N 0.00 0.02 -0.05 1.61 2.02 -0.53 -4.97 117.35 115.45 1j3j s TYR 356 Ca 0.00 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1j3j s TYR 356 Cb 0.00 0.03 0.04 0.00 -0.40 0.00 0.00 41.96 41.62 1j3j s TYR 356 CO 0.00 -0.53 0.11 -1.50 -1.57 0.00 0.00 175.55 172.05 1j3j s ILE 357 N -3.26 -0.07 0.09 2.71 2.07 -1.26 -0.11 121.20 121.37 1j3j s ILE 357 Ca 0.00 0.22 0.10 0.00 -1.41 0.00 0.00 60.65 59.56 1j3j s ILE 357 Cb 0.02 -0.19 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 1j3j s ILE 357 CO -0.08 0.09 -0.26 -0.04 -1.91 0.00 0.00 174.94 172.74 1j3j s MET 358 N 1.28 1.62 -0.04 3.50 -1.94 -0.00 -4.98 119.30 118.73 1j3j s MET 358 Ca -0.08 -1.23 0.03 0.00 -1.71 0.00 0.00 55.69 52.70 1j3j s MET 358 Cb -0.12 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.77 1j3j s MET 358 CO -0.05 0.48 -0.11 0.15 -0.01 0.00 0.00 175.02 175.48 1j3j s LYS 359 N -1.70 1.37 -0.09 2.03 1.02 -1.26 -0.59 119.74 120.52 1j3j s LYS 359 Ca 0.13 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1j3j s LYS 359 Cb -0.10 -1.20 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 1j3j s LYS 359 CO 0.05 0.09 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.35 1j3j s PHE 360 N 0.39 1.84 -0.93 3.18 0.08 0.04 -4.97 117.98 117.61 1j3j s PHE 360 Ca -0.08 -0.76 -0.20 0.00 0.12 0.00 0.00 56.93 56.00 1j3j s PHE 360 Cb -0.12 -1.31 0.10 0.00 -0.57 0.00 0.00 43.02 41.12 1j3j s PHE 360 CO 0.02 -0.37 1.21 0.34 -0.10 0.00 0.00 175.22 176.31 1j3j s ASP 361 N 0.71 6.55 0.41 1.36 -1.08 -1.26 -1.04 116.67 122.32 1j3j s ASP 361 Ca -0.13 -1.78 0.28 0.00 -0.52 0.00 0.00 52.55 50.40 1j3j s ASP 361 Cb -0.16 -2.45 1.49 0.00 -1.46 0.00 0.00 42.92 40.34 1j3j s ASP 361 CO 0.03 -1.23 1.86 -0.07 0.52 0.00 0.00 175.17 176.28 1j3j h LEU 362 N 11.17 0.00 -0.25 -1.34 3.38 -0.47 -0.05 115.31 127.76 1j3j h LEU 362 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1j3j h LEU 362 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1j3j h LEU 362 CO 1.20 0.00 -0.42 0.77 0.09 0.00 0.00 178.44 180.09 1j3j h SER 363 N 0.00 0.00 0.33 -0.43 4.64 -1.63 -3.28 113.55 113.18 1j3j h SER 363 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3j h SER 363 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1j3j h SER 363 CO 0.00 0.42 -1.64 0.00 -0.87 0.00 0.00 176.83 174.74 1j3j n GLN 364 N -3.27 0.62 -3.76 4.77 1.13 -0.08 -5.06 117.38 111.74 1j3j n GLN 364 Ca 0.02 -0.09 0.02 0.00 -1.94 0.00 0.00 57.00 55.01 1j3j n GLN 364 Cb 0.66 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1j3j n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3j s TYR 365 N -3.45 -0.01 -0.27 1.08 -0.85 -0.93 -5.08 117.35 107.85 1j3j s TYR 365 Ca -0.05 -0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.34 1j3j s TYR 365 Cb 0.13 0.55 0.00 0.00 0.38 0.00 0.00 41.96 43.02 1j3j s TYR 365 CO 0.87 -0.27 0.04 0.12 -1.52 0.00 0.00 175.55 174.78 1j3j s PHE 366 N -2.24 3.09 -1.29 -3.49 5.36 -0.72 -4.07 117.98 114.63 1j3j s PHE 366 Ca 0.20 -0.94 -0.11 0.00 -0.96 0.00 0.00 56.93 55.13 1j3j s PHE 366 Cb 0.03 -2.20 -0.06 0.00 -0.34 0.00 0.00 43.02 40.44 1j3j s PHE 366 CO -0.03 -0.55 2.46 -0.35 -1.46 0.00 0.00 175.22 175.30 1j3j n PRO 367 N 4.84 2.82 -3.13 10.12 -0.04 -1.26 -3.85 135.00 144.50 1j3j n PRO 367 Ca -0.16 -2.00 -0.41 0.00 -0.04 0.00 0.00 63.50 60.89 1j3j n PRO 367 Cb 0.49 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 31.09 1j3j n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3j s LEU 368 N 0.61 4.09 0.20 1.53 2.96 -1.26 -4.61 118.68 122.20 1j3j s LEU 368 Ca 0.55 0.58 -0.32 0.00 -0.22 0.00 0.00 54.13 54.73 1j3j s LEU 368 Cb 0.15 -2.81 -0.15 0.00 0.50 0.00 0.00 46.19 43.88 1j3j s LEU 368 CO -0.04 -0.39 1.18 0.18 -1.32 0.00 0.00 176.35 175.97 1j3j n LEU 369 N 5.74 1.87 -0.00 -0.68 4.77 -1.26 -4.76 117.00 122.67 1j3j n LEU 369 Ca -0.01 1.15 0.09 0.00 -0.03 0.00 0.00 56.01 57.20 1j3j n LEU 369 Cb 0.49 -1.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 1j3j n LEU 369 CO 0.43 -1.16 -0.41 0.35 -1.33 0.00 0.00 177.39 175.27 1j3j n THR 370 N 1.37 0.00 1.24 -5.08 -2.24 -1.26 -4.41 114.28 103.89 1j3j n THR 370 Ca 0.13 -0.27 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 1j3j n THR 370 Cb 0.27 0.50 0.30 0.00 -2.10 0.00 0.00 70.33 69.30 1j3j n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3j n THR 371 N -1.80 0.00 -3.60 4.28 -2.24 -1.26 -0.35 114.28 109.31 1j3j n THR 371 Ca -0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1j3j n THR 371 Cb 0.37 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1j3j n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3j s LYS 372 N -2.00 1.10 0.01 -0.78 -2.85 -1.26 -4.68 119.74 109.27 1j3j s LYS 372 Ca 0.15 -0.50 -0.20 0.00 -1.00 0.00 0.00 55.97 54.42 1j3j s LYS 372 Cb 0.07 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.22 1j3j s LYS 372 CO 0.12 -0.49 0.58 0.21 0.10 0.00 0.00 175.35 175.86 1j3j s LYS 373 N -3.34 4.28 0.04 1.78 2.20 -1.20 -4.44 119.74 119.06 1j3j s LYS 373 Ca 0.07 0.71 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 1j3j s LYS 373 Cb -0.02 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1j3j s LYS 373 CO -0.05 0.43 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.77 1j3j s LEU 374 N -0.38 2.19 0.05 5.43 1.43 -1.26 -4.75 118.68 121.39 1j3j s LEU 374 Ca 0.30 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1j3j s LEU 374 Cb -0.18 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1j3j s LEU 374 CO 0.17 -0.08 -0.26 -0.36 0.23 0.00 0.00 176.35 176.05 1j3j s PHE 375 N -0.99 2.35 -0.80 0.29 0.40 -1.26 -5.07 117.98 112.90 1j3j s PHE 375 Ca -0.04 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1j3j s PHE 375 Cb -0.08 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.13 1j3j s PHE 375 CO 0.01 0.16 0.75 1.28 0.70 0.00 0.00 175.22 178.12 1j3j n LEU 376 N 1.66 1.64 -0.31 -0.37 4.77 -1.26 -4.71 117.00 118.42 1j3j n LEU 376 Ca -0.17 -1.09 0.05 0.00 -0.03 0.00 0.00 56.01 54.77 1j3j n LEU 376 Cb 0.52 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.80 1j3j n LEU 376 CO 0.23 0.35 1.15 -0.09 -1.33 0.00 0.00 177.39 177.70 1j3j h ARG 377 N 1.28 0.76 -0.17 3.23 2.43 -1.99 -1.35 114.38 118.58 1j3j h ARG 377 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1j3j h ARG 377 Cb 0.31 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1j3j h ARG 377 CO 0.00 0.50 0.02 0.78 -1.51 0.00 0.00 179.97 179.76 1j3j h GLY 378 N 0.79 0.30 2.00 2.80 0.00 -1.97 -1.53 103.07 105.46 1j3j h GLY 378 Ca 0.44 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1j3j h GLY 378 CO -0.29 0.19 -0.32 0.16 0.00 0.00 0.00 176.54 176.29 1j3j h ILE 379 N 0.05 0.88 -0.16 2.60 3.07 -1.79 -0.44 117.51 121.73 1j3j h ILE 379 Ca 0.05 -1.25 -0.21 0.00 1.55 0.00 0.00 64.86 65.00 1j3j h ILE 379 Cb 0.33 1.75 0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1j3j h ILE 379 CO 0.00 0.31 -0.71 0.40 -1.05 0.00 0.00 178.15 177.10 1j3j h ILE 380 N 0.00 1.29 -0.56 0.16 2.04 -1.12 -1.58 117.51 117.75 1j3j h ILE 380 Ca -0.00 -1.92 -0.06 0.00 1.00 0.00 0.00 64.86 63.87 1j3j h ILE 380 Cb 0.73 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1j3j h ILE 380 CO 0.04 0.61 0.10 -0.33 0.00 0.00 0.00 178.15 178.57 1j3j h GLU 381 N 0.48 0.88 -0.38 2.37 4.39 -0.90 -1.10 114.58 120.33 1j3j h GLU 381 Ca -0.04 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1j3j h GLU 381 Cb 1.34 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1j3j h GLU 381 CO 0.15 0.81 0.25 1.49 -1.16 0.00 0.00 179.01 180.55 1j3j h GLU 382 N 0.84 0.49 -0.39 2.33 4.81 -0.92 0.10 114.58 121.85 1j3j h GLU 382 Ca 0.18 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1j3j h GLU 382 Cb 0.36 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1j3j h GLU 382 CO 0.01 0.33 0.22 1.25 -0.73 0.00 0.00 179.01 180.08 1j3j h LEU 383 N 0.51 0.35 -0.91 1.64 5.85 -0.73 0.23 115.31 122.25 1j3j h LEU 383 Ca 0.14 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1j3j h LEU 383 Cb -0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1j3j h LEU 383 CO -0.04 0.25 0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 1j3j h LEU 384 N 0.45 0.78 -0.34 2.25 3.38 -0.96 -0.45 115.31 120.41 1j3j h LEU 384 Ca 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1j3j h LEU 384 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1j3j h LEU 384 CO -0.08 0.83 0.20 -0.25 0.09 0.00 0.00 178.44 179.24 1j3j h TRP 385 N 0.76 0.45 0.28 1.13 7.01 -0.09 -0.69 115.95 124.80 1j3j h TRP 385 Ca 0.15 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1j3j h TRP 385 Cb 0.44 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1j3j h TRP 385 CO 0.02 0.33 -0.27 0.74 -2.79 0.00 0.00 178.44 176.48 1j3j h PHE 386 N 0.44 -0.71 -0.60 2.65 0.04 0.14 -2.41 116.94 116.49 1j3j h PHE 386 Ca 0.12 0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.04 1j3j h PHE 386 Cb 0.01 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1j3j h PHE 386 CO -0.04 -0.39 0.42 0.82 -0.60 0.00 0.00 178.31 178.52 1j3j h ILE 387 N -0.58 0.76 0.00 -0.55 2.04 -0.80 0.27 117.51 118.65 1j3j h ILE 387 Ca -0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1j3j h ILE 387 Cb 0.53 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1j3j h ILE 387 CO -0.05 0.03 0.00 0.54 0.00 0.00 0.00 178.15 178.67 1j3j n ARG 388 N -4.41 0.08 -0.83 2.37 1.74 -0.29 -4.88 116.66 110.44 1j3j n ARG 388 Ca 0.11 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1j3j n ARG 388 Cb 0.57 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1j3j n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3j n GLY 389 N 1.11 0.54 3.80 -0.13 0.00 0.94 -5.04 105.19 106.42 1j3j n GLY 389 Ca 0.06 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1j3j n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3j s GLU 390 N -0.82 3.50 0.00 1.61 2.02 -1.01 -3.58 118.70 120.43 1j3j s GLU 390 Ca 0.00 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.22 1j3j s GLU 390 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1j3j s GLU 390 CO 0.00 -0.66 0.44 0.25 0.02 0.00 0.00 175.26 175.31 1j3j n THR 391 N -1.70 0.05 -2.88 3.63 -2.24 -1.26 -4.12 114.28 105.77 1j3j n THR 391 Ca 0.09 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1j3j n THR 391 Cb 0.53 1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 1j3j n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3j s ASN 392 N -0.05 6.36 0.55 3.42 3.84 -1.26 -2.15 114.94 125.64 1j3j s ASN 392 Ca 0.00 -0.30 0.28 0.00 0.21 0.00 0.00 52.86 53.05 1j3j s ASN 392 Cb 0.00 -2.42 1.58 0.00 -0.55 0.00 0.00 41.25 39.86 1j3j s ASN 392 CO 0.00 -1.13 2.14 1.23 -2.79 0.00 0.00 177.10 176.55 1j3j h GLY 393 N 10.69 0.00 1.92 1.21 0.00 -1.27 -2.49 103.07 113.14 1j3j h GLY 393 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1j3j h GLY 393 CO 1.05 0.00 -0.08 3.43 0.00 0.00 0.00 176.54 180.94 1j3j h ASN 394 N 0.00 0.09 -0.51 0.19 -0.26 -1.92 -2.01 115.58 111.16 1j3j h ASN 394 Ca -0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1j3j h ASN 394 Cb 0.21 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.42 1j3j h ASN 394 CO 0.01 0.19 0.33 0.74 -1.06 0.00 0.00 177.43 177.64 1j3j h THR 395 N 0.10 1.13 -0.07 2.81 2.02 -1.84 0.53 112.91 117.58 1j3j h THR 395 Ca 0.02 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1j3j h THR 395 Cb 0.20 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1j3j h THR 395 CO 0.01 0.13 -0.04 -0.07 0.37 0.00 0.00 175.52 175.92 1j3j h LEU 396 N 0.69 0.16 -1.36 2.58 3.38 -1.60 -3.08 115.31 116.07 1j3j h LEU 396 Ca 0.19 -0.44 0.16 0.00 0.09 0.00 0.00 57.88 57.88 1j3j h LEU 396 Cb -0.07 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1j3j h LEU 396 CO -0.04 0.56 0.57 -0.07 0.09 0.00 0.00 178.44 179.55 1j3j h LEU 397 N -0.24 0.57 -1.29 1.67 3.38 -1.07 0.41 115.31 118.75 1j3j h LEU 397 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j3j h LEU 397 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1j3j h LEU 397 CO 0.01 0.27 0.00 0.78 0.09 0.00 0.00 178.44 179.60 1j3j h ASN 398 N 0.60 0.00 -0.55 -0.43 2.35 -0.82 -0.59 115.58 116.14 1j3j h ASN 398 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1j3j h ASN 398 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1j3j h ASN 398 CO -0.20 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.87 1j3j n LYS 399 N -2.73 3.67 -3.83 0.81 5.02 0.14 -4.94 118.16 116.30 1j3j n LYS 399 Ca 0.01 -2.83 -0.29 0.00 -2.02 0.00 0.00 58.31 53.18 1j3j n LYS 399 Cb 0.25 -1.87 0.04 0.00 -0.02 0.00 0.00 35.03 33.43 1j3j n LYS 399 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j3j n ASN 400 N 0.74 -5.18 -4.24 4.39 5.15 -0.23 -4.97 115.26 110.92 1j3j n ASN 400 Ca 0.24 -0.72 -0.35 0.00 -0.60 0.00 0.00 54.58 53.15 1j3j n ASN 400 Cb 0.88 -4.19 -0.14 0.00 -0.53 0.00 0.00 39.78 35.80 1j3j n ASN 400 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j3j s VAL 401 N -3.31 3.15 -0.42 3.44 1.01 -0.90 -5.00 120.40 118.38 1j3j s VAL 401 Ca 0.64 -0.90 0.16 0.00 0.00 0.00 0.00 61.98 61.87 1j3j s VAL 401 Cb -0.31 -2.59 0.66 0.00 0.00 0.00 0.00 36.38 34.15 1j3j s VAL 401 CO 0.80 0.20 1.57 0.54 0.00 0.00 0.00 175.10 178.22 1j3j n ARG 402 N 4.72 3.83 -0.34 2.72 1.74 -1.26 -3.33 116.66 124.73 1j3j n ARG 402 Ca -0.16 -2.93 0.13 0.00 -0.77 0.00 0.00 57.85 54.12 1j3j n ARG 402 Cb 0.48 -1.98 0.33 0.00 -1.02 0.00 0.00 32.46 30.27 1j3j n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3j h ILE 403 N 3.05 0.74 -0.32 0.55 2.04 -1.96 -2.48 117.51 119.14 1j3j h ILE 403 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1j3j h ILE 403 Cb 1.61 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1j3j h ILE 403 CO 0.31 0.14 0.00 0.79 0.00 0.00 0.00 178.15 179.39 1j3j n TRP 404 N -4.71 0.41 -0.01 1.37 7.02 -1.26 -4.70 117.44 115.56 1j3j n TRP 404 Ca 0.22 -0.26 -0.09 0.00 -1.02 0.00 0.00 57.50 56.35 1j3j n TRP 404 Cb 0.55 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.41 1j3j n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3j h GLU 405 N 3.54 -0.28 -0.13 -0.99 4.81 -1.75 -2.68 114.58 117.11 1j3j h GLU 405 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1j3j h GLU 405 Cb 0.84 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1j3j h GLU 405 CO 0.00 -0.19 0.05 0.00 -0.73 0.00 0.00 179.01 178.14 1j3j h ALA 406 N 0.68 1.84 -0.00 2.92 0.00 -1.84 -1.97 119.26 120.89 1j3j h ALA 406 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j3j h ALA 406 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j3j h ALA 406 CO -0.31 0.13 -0.03 0.09 0.00 0.00 0.00 179.25 179.13 1j3j n ASN 407 N -4.48 0.17 -0.40 0.00 3.02 -1.02 -3.78 115.26 108.77 1j3j n ASN 407 Ca -0.01 -0.52 0.04 0.00 -0.03 0.00 0.00 54.58 54.06 1j3j n ASN 407 Cb 0.11 -0.15 0.09 0.00 -0.61 0.00 0.00 39.78 39.22 1j3j n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3j n GLY 408 N 1.21 2.20 3.81 7.41 0.00 -0.74 -4.61 105.19 114.47 1j3j n GLY 408 Ca 0.17 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1j3j n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3j s THR 409 N -0.93 3.95 0.16 2.61 -4.23 -1.22 0.81 115.64 116.78 1j3j s THR 409 Ca 0.14 0.71 -0.17 0.00 -1.18 0.00 0.00 61.69 61.19 1j3j s THR 409 Cb 0.08 -3.38 0.07 0.00 1.34 0.00 0.00 72.50 70.60 1j3j s THR 409 CO 0.10 -0.75 1.68 -0.09 -0.54 0.00 0.00 174.62 175.02 1j3j h ARG 410 N -0.39 0.01 -0.33 3.99 9.65 -1.95 0.03 114.38 125.38 1j3j h ARG 410 Ca -0.45 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 1j3j h ARG 410 Cb 1.21 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 1j3j h ARG 410 CO 0.57 0.00 0.15 0.93 2.80 0.00 0.00 179.97 184.42 1j3j h GLU 411 N 0.01 0.48 -0.11 0.20 3.07 -1.96 -0.69 114.58 115.56 1j3j h GLU 411 Ca 0.17 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1j3j h GLU 411 Cb 0.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1j3j h GLU 411 CO -0.37 0.46 0.07 0.35 -1.40 0.00 0.00 179.01 178.12 1j3j h PHE 412 N 0.39 0.15 -0.67 4.33 3.04 -1.70 -1.12 116.94 121.36 1j3j h PHE 412 Ca 0.11 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.09 1j3j h PHE 412 Cb 0.14 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.56 1j3j h PHE 412 CO -0.01 0.15 0.41 -0.07 -2.02 0.00 0.00 178.31 176.77 1j3j h LEU 413 N 0.11 0.68 -0.43 0.59 3.38 -0.89 -2.44 115.31 116.31 1j3j h LEU 413 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j3j h LEU 413 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1j3j h LEU 413 CO -0.01 0.47 0.19 0.44 0.09 0.00 0.00 178.44 179.63 1j3j h ASP 414 N 0.81 0.58 0.31 -0.43 3.32 -0.96 0.29 116.42 120.35 1j3j h ASP 414 Ca 0.27 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1j3j h ASP 414 Cb 0.02 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1j3j h ASP 414 CO -0.10 0.57 0.00 0.59 -1.72 0.00 0.00 179.24 178.57 1j3j n ASN 415 N -4.64 0.04 -1.11 6.45 3.02 -0.44 0.42 115.26 118.99 1j3j n ASN 415 Ca 0.01 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.19 1j3j n ASN 415 Cb 0.13 -0.52 0.20 0.00 -0.61 0.00 0.00 39.78 38.99 1j3j n ASN 415 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j3j n ARG 416 N -1.54 2.47 -1.06 3.52 5.12 -0.64 -4.91 116.66 119.62 1j3j n ARG 416 Ca 0.02 -2.20 -0.02 0.00 -1.93 0.00 0.00 57.85 53.72 1j3j n ARG 416 Cb 0.11 -1.51 -0.01 0.00 -1.16 0.00 0.00 32.46 29.89 1j3j n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3j n LYS 417 N 1.45 -0.52 -2.35 5.56 5.02 0.17 -4.93 118.16 122.55 1j3j n LYS 417 Ca 0.19 0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 56.39 1j3j n LYS 417 Cb 0.60 -3.86 0.00 0.00 -0.02 0.00 0.00 35.03 31.75 1j3j n LYS 417 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3j n LEU 418 N -0.22 7.22 0.27 -0.35 4.77 0.93 -4.72 117.00 124.89 1j3j n LEU 418 Ca -0.02 -4.92 0.14 0.00 -0.03 0.00 0.00 56.01 51.19 1j3j n LEU 418 Cb 0.16 -1.37 0.72 0.00 -2.33 0.00 0.00 43.42 40.60 1j3j n LEU 418 CO 0.03 1.76 0.97 -0.26 -1.33 0.00 0.00 177.39 178.56 1j3j h PHE 419 N 5.09 0.00 -0.51 -1.77 0.04 -1.85 -2.84 116.94 115.10 1j3j h PHE 419 Ca 0.49 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.21 1j3j h PHE 419 Cb 0.47 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1j3j h PHE 419 CO 1.35 0.11 0.05 0.72 -0.60 0.00 0.00 178.31 179.94 1j3j n HIS 420 N -3.42 1.82 -4.19 -0.55 8.25 -1.26 -4.92 115.22 110.95 1j3j n HIS 420 Ca -0.01 -0.90 -0.34 0.00 -0.26 0.00 0.00 57.72 56.20 1j3j n HIS 420 Cb 0.27 -0.50 -0.11 0.00 1.12 0.00 0.00 29.99 30.77 1j3j n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3j s ARG 421 N -2.86 3.79 0.61 -0.41 6.06 -1.07 -5.09 118.95 119.99 1j3j s ARG 421 Ca 0.51 -0.44 -0.18 0.00 -2.50 0.00 0.00 55.73 53.12 1j3j s ARG 421 Cb 0.40 -3.07 -0.02 0.00 0.06 0.00 0.00 34.95 32.32 1j3j s ARG 421 CO 0.13 0.22 1.20 -2.00 -2.50 0.00 0.00 175.30 172.35 1j3j s GLU 422 N 0.46 2.87 0.28 5.12 2.12 -1.26 -4.92 118.70 123.37 1j3j s GLU 422 Ca -0.00 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 56.81 1j3j s GLU 422 Cb -0.13 -1.92 -0.13 0.00 0.26 0.00 0.00 34.13 32.21 1j3j s GLU 422 CO 0.02 -1.28 1.43 0.28 -0.54 0.00 0.00 175.26 175.17 1j3j n VAL 423 N -1.77 1.28 -0.94 3.70 0.31 -1.26 -1.27 118.33 118.37 1j3j n VAL 423 Ca 0.13 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1j3j n VAL 423 Cb 0.50 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1j3j n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3j n ASN 424 N 1.73 -3.39 -4.39 4.52 5.03 0.24 -4.93 115.26 114.07 1j3j n ASN 424 Ca 0.09 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.09 1j3j n ASN 424 Cb 0.34 -1.80 -0.04 0.00 -1.02 0.00 0.00 39.78 37.26 1j3j n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3j s ASP 425 N -2.12 6.18 0.00 6.41 -1.08 -0.40 -0.69 116.67 124.98 1j3j s ASP 425 Ca 0.00 -1.34 0.16 0.00 -0.52 0.00 0.00 52.55 50.85 1j3j s ASP 425 Cb 0.00 -2.33 0.68 0.00 -1.46 0.00 0.00 42.92 39.81 1j3j s ASP 425 CO 0.00 -1.18 1.51 0.18 0.52 0.00 0.00 175.17 176.20 1j3j n LEU 426 N 6.61 0.01 0.00 -1.34 4.77 -0.91 -4.75 117.00 121.38 1j3j n LEU 426 Ca -0.08 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1j3j n LEU 426 Cb 0.43 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1j3j n LEU 426 CO 0.60 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1j3j n GLY 427 N 0.14 -1.81 2.50 -0.72 0.00 -1.26 -1.19 105.19 102.85 1j3j n GLY 427 Ca 0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1j3j n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3j n PRO 428 N 0.00 3.33 -0.27 1.61 -0.04 -1.26 -4.80 135.00 133.57 1j3j n PRO 428 Ca 0.00 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1j3j n PRO 428 Cb 0.00 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1j3j n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3j n ILE 429 N 4.25 0.00 -0.06 0.52 -5.35 -1.26 -4.55 119.36 112.90 1j3j n ILE 429 Ca 0.66 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 63.13 1j3j n ILE 429 Cb 0.30 -1.50 -0.02 0.00 -1.74 0.00 0.00 39.64 36.69 1j3j n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3j n TYR 430 N -0.81 -0.07 -0.14 4.28 4.01 -1.26 -1.25 117.16 121.92 1j3j n TYR 430 Ca 0.00 0.19 -0.05 0.00 -0.16 0.00 0.00 57.90 57.89 1j3j n TYR 430 Cb 0.00 -0.33 0.02 0.00 -0.31 0.00 0.00 39.34 38.72 1j3j n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3j h GLY 431 N 0.00 0.15 0.99 2.72 0.00 -1.74 0.15 103.07 105.33 1j3j h GLY 431 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1j3j h GLY 431 CO -0.14 -0.20 0.29 -2.75 0.00 0.00 0.00 176.54 173.74 1j3j h PHE 432 N -0.10 0.70 -0.49 5.60 3.57 -1.23 -2.65 116.94 122.34 1j3j h PHE 432 Ca 0.22 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1j3j h PHE 432 Cb 0.44 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1j3j h PHE 432 CO -0.46 0.50 -0.09 1.96 -2.23 0.00 0.00 178.31 177.99 1j3j h GLN 433 N 0.69 0.93 -0.82 1.11 1.08 -0.85 0.56 115.11 117.81 1j3j h GLN 433 Ca 0.18 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1j3j h GLN 433 Cb 0.03 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1j3j h GLN 433 CO -0.03 1.00 0.53 -1.49 -0.95 0.00 0.00 178.83 177.89 1j3j h TRP 434 N 0.79 1.04 0.00 2.96 4.06 -0.59 -2.72 115.95 121.49 1j3j h TRP 434 Ca 0.13 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1j3j h TRP 434 Cb 0.64 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1j3j h TRP 434 CO 0.05 0.66 -1.60 0.54 -3.56 0.00 0.00 178.44 174.53 1j3j n ARG 435 N -4.40 0.43 -1.42 0.49 5.12 -1.01 -1.77 116.66 114.10 1j3j n ARG 435 Ca 0.09 -0.12 0.04 0.00 -1.93 0.00 0.00 57.85 55.93 1j3j n ARG 435 Cb 0.03 -1.32 0.06 0.00 -1.16 0.00 0.00 32.46 30.08 1j3j n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3j n HIS 436 N -1.96 0.12 -1.67 -1.55 8.25 0.19 -3.05 115.22 115.56 1j3j n HIS 436 Ca -0.02 -0.82 -0.57 0.00 -0.26 0.00 0.00 57.72 56.05 1j3j n HIS 436 Cb 0.35 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 1j3j n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3j n PHE 437 N 0.10 1.78 0.00 4.41 -0.00 -0.83 -1.34 117.46 121.58 1j3j n PHE 437 Ca 0.09 0.65 0.00 0.00 -0.00 0.00 0.00 57.45 58.19 1j3j n PHE 437 Cb 1.04 -2.38 0.00 0.00 -0.00 0.00 0.00 39.48 38.14 1j3j n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3j n GLY 438 N 3.52 2.22 3.84 7.13 0.00 -1.26 -0.15 105.19 120.49 1j3j n GLY 438 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1j3j n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3j s ALA 439 N -2.52 2.89 -0.22 4.61 0.00 -0.45 -4.83 121.76 121.23 1j3j s ALA 439 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1j3j s ALA 439 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1j3j s ALA 439 CO 0.00 -0.81 0.86 -1.21 0.00 0.00 0.00 175.76 174.59 1j3j s GLU 440 N -4.76 4.22 0.30 0.00 0.41 -1.26 -5.01 118.70 112.60 1j3j s GLU 440 Ca 0.58 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.87 1j3j s GLU 440 Cb -0.13 -3.63 -0.10 0.00 -1.78 0.00 0.00 34.13 28.50 1j3j s GLU 440 CO 0.48 -0.49 1.18 -0.47 -0.49 0.00 0.00 175.26 175.46 1j3j s TYR 441 N 2.74 3.37 0.00 1.61 5.04 -1.26 -4.95 117.35 123.89 1j3j s TYR 441 Ca 0.37 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 1j3j s TYR 441 Cb -0.16 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1j3j s TYR 441 CO 0.08 -1.06 0.00 0.25 -1.34 0.00 0.00 175.55 173.48 1j3j n THR 442 N 1.01 0.00 -3.80 4.34 -2.24 -1.26 -5.09 114.28 107.24 1j3j n THR 442 Ca -0.01 0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1j3j n THR 442 Cb 0.44 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1j3j n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3j s ASN 443 N -4.30 -0.26 0.15 3.42 2.20 -1.26 -5.05 114.94 109.83 1j3j s ASN 443 Ca 0.00 -0.57 0.15 0.00 -0.94 0.00 0.00 52.86 51.50 1j3j s ASN 443 Cb 0.00 0.64 0.69 0.00 -2.00 0.00 0.00 41.25 40.59 1j3j s ASN 443 CO 0.00 -1.18 1.46 1.15 -2.94 0.00 0.00 177.10 175.59 1j3j n MET 444 N -0.40 0.08 0.01 3.55 0.00 -1.26 -2.91 117.12 116.20 1j3j n MET 444 Ca -0.07 0.46 0.11 0.00 0.00 0.00 0.00 57.70 58.20 1j3j n MET 444 Cb 0.61 -1.71 -0.04 0.00 0.00 0.00 0.00 33.22 32.08 1j3j n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3j n TYR 445 N -1.88 0.15 -1.84 3.17 4.01 -1.26 -4.68 117.16 114.83 1j3j n TYR 445 Ca 0.01 0.04 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 1j3j n TYR 445 Cb 0.11 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 1j3j n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3j s ASP 446 N -3.76 6.23 -0.42 7.72 -1.08 -1.15 -4.98 116.67 119.24 1j3j s ASP 446 Ca 0.03 2.96 -0.20 0.00 -0.52 0.00 0.00 52.55 54.83 1j3j s ASP 446 Cb 0.15 -2.66 0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1j3j s ASP 446 CO 0.83 -0.94 0.59 0.21 0.52 0.00 0.00 175.17 176.38 1j3j s ASN 447 N -0.31 6.30 -0.20 -0.34 3.84 -1.26 -4.92 114.94 118.04 1j3j s ASN 447 Ca 0.55 -0.36 0.09 0.00 0.21 0.00 0.00 52.86 53.35 1j3j s ASN 447 Cb -0.45 -2.30 0.59 0.00 -0.55 0.00 0.00 41.25 38.55 1j3j s ASN 447 CO 0.60 -0.70 1.47 -1.22 -2.79 0.00 0.00 177.10 174.45 1j3j n TYR 448 N 6.07 1.66 -1.63 0.43 4.01 -1.26 -5.02 117.16 121.42 1j3j n TYR 448 Ca -0.03 -0.69 -0.64 0.00 -0.16 0.00 0.00 57.90 56.38 1j3j n TYR 448 Cb 0.48 -0.47 -0.09 0.00 -0.31 0.00 0.00 39.34 38.95 1j3j n TYR 448 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1j3j n GLU 449 N 0.28 0.00 -2.39 -0.72 0.28 -1.26 -1.32 120.64 115.51 1j3j n GLU 449 Ca 0.24 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 57.04 1j3j n GLU 449 Cb 1.02 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 32.39 1j3j n GLU 449 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j3j n ASN 450 N 2.97 -5.80 -4.23 -1.84 3.02 -1.26 -4.98 115.26 103.13 1j3j n ASN 450 Ca 0.26 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.51 1j3j n ASN 450 Cb -0.00 -4.84 -0.17 0.00 -0.61 0.00 0.00 39.78 34.16 1j3j n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3j s LYS 451 N -5.03 2.69 0.10 3.52 1.02 -0.43 -5.05 119.74 116.56 1j3j s LYS 451 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1j3j s LYS 451 Cb 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1j3j s LYS 451 CO 0.00 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1j3j n GLY 452 N 3.21 -2.20 3.67 -3.33 0.00 -1.26 -4.49 105.19 100.79 1j3j n GLY 452 Ca -0.18 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1j3j n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3j s VAL 453 N -1.17 5.09 -1.23 1.61 1.01 0.79 -4.78 120.40 121.72 1j3j s VAL 453 Ca 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.87 1j3j s VAL 453 Cb 0.00 -3.87 0.16 0.00 0.00 0.00 0.00 36.38 32.67 1j3j s VAL 453 CO 0.00 0.17 1.55 -0.67 0.00 0.00 0.00 175.10 176.16 1j3j n ASP 454 N 4.74 5.16 -0.14 3.32 -0.08 -1.17 -1.96 116.55 126.41 1j3j n ASP 454 Ca -0.04 -3.00 -0.04 0.00 -1.51 0.00 0.00 54.79 50.20 1j3j n ASP 454 Cb 0.50 -1.57 0.05 0.00 2.34 0.00 0.00 41.12 42.44 1j3j n ASP 454 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1j3j h GLN 455 N 6.88 0.35 -0.53 -0.67 4.20 -1.59 -1.83 115.11 121.92 1j3j h GLN 455 Ca 0.35 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.14 1j3j h GLN 455 Cb 0.82 -0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.42 1j3j h GLN 455 CO 1.34 0.23 -0.19 1.25 -0.67 0.00 0.00 178.83 180.79 1j3j h LEU 456 N 0.36 -0.68 -0.81 1.46 5.85 -1.66 0.31 115.31 120.14 1j3j h LEU 456 Ca 0.21 0.18 -0.09 0.00 0.84 0.00 0.00 57.88 59.02 1j3j h LEU 456 Cb 0.19 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1j3j h LEU 456 CO -0.20 -0.22 -0.11 0.11 -0.34 0.00 0.00 178.44 177.67 1j3j h LYS 457 N -0.06 0.78 -0.35 1.25 1.57 -1.75 -2.61 116.57 115.39 1j3j h LYS 457 Ca 0.25 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1j3j h LYS 457 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1j3j h LYS 457 CO -0.58 0.86 -0.10 -0.91 -0.57 0.00 0.00 179.45 178.15 1j3j h ASN 458 N 0.71 0.59 1.24 0.86 2.35 -0.18 -1.73 115.58 119.40 1j3j h ASN 458 Ca 0.12 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1j3j h ASN 458 Cb 0.59 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1j3j h ASN 458 CO 0.04 0.73 -0.33 0.16 -1.65 0.00 0.00 177.43 176.37 1j3j h ILE 459 N 0.56 0.67 -0.20 2.81 3.07 -0.30 -1.97 117.51 122.15 1j3j h ILE 459 Ca 0.10 -1.60 -0.20 0.00 1.55 0.00 0.00 64.86 64.71 1j3j h ILE 459 Cb 0.51 2.07 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 1j3j h ILE 459 CO 0.03 0.33 -0.67 0.40 -1.05 0.00 0.00 178.15 177.19 1j3j h ILE 460 N 0.00 1.29 -0.05 0.16 2.04 -1.05 -2.40 117.51 117.50 1j3j h ILE 460 Ca -0.00 -1.88 -0.12 0.00 1.00 0.00 0.00 64.86 63.85 1j3j h ILE 460 Cb 1.04 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1j3j h ILE 460 CO 0.04 0.60 -0.53 0.78 0.00 0.00 0.00 178.15 179.04 1j3j h ASN 461 N 0.56 0.14 -0.32 1.72 2.35 -1.13 -2.33 115.58 116.56 1j3j h ASN 461 Ca -0.02 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 1j3j h ASN 461 Cb 1.28 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 1j3j h ASN 461 CO 0.14 0.65 -0.43 -0.07 -1.65 0.00 0.00 177.43 176.07 1j3j h LEU 462 N 0.10 0.93 -1.35 1.61 3.38 -1.33 0.11 115.31 118.76 1j3j h LEU 462 Ca -0.00 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1j3j h LEU 462 Cb 0.97 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1j3j h LEU 462 CO 0.08 1.25 -0.12 0.40 0.09 0.00 0.00 178.44 180.14 1j3j h ILE 463 N 0.64 1.19 0.09 1.22 2.04 -1.25 0.60 117.51 122.03 1j3j h ILE 463 Ca 0.04 -0.81 -0.16 0.00 1.00 0.00 0.00 64.86 64.93 1j3j h ILE 463 Cb 1.03 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1j3j h ILE 463 CO 0.10 0.26 -0.77 0.11 0.00 0.00 0.00 178.15 177.85 1j3j h LYS 464 N 0.28 0.20 0.00 2.37 1.57 -1.24 -3.36 116.57 116.38 1j3j h LYS 464 Ca 0.06 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1j3j h LYS 464 Cb 0.38 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1j3j h LYS 464 CO 0.02 1.16 -1.55 0.09 -0.57 0.00 0.00 179.45 178.60 1j3j n ASN 465 N -4.22 0.38 -3.14 0.86 3.02 0.37 -4.68 115.26 107.84 1j3j n ASN 465 Ca -0.16 -0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 53.94 1j3j n ASN 465 Cb 0.75 1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 41.34 1j3j n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3j n ASP 466 N -2.07 -0.76 0.15 6.41 2.03 0.21 -5.00 116.55 117.52 1j3j n ASP 466 Ca -0.01 -2.72 0.04 0.00 0.52 0.00 0.00 54.79 52.62 1j3j n ASP 466 Cb 0.49 -0.05 0.44 0.00 -0.72 0.00 0.00 41.12 41.28 1j3j n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3j h PRO 467 N 4.51 0.17 -0.00 -0.67 0.13 -1.65 -3.02 132.00 131.48 1j3j h PRO 467 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1j3j h PRO 467 Cb 0.93 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1j3j h PRO 467 CO 0.38 0.30 -0.00 0.25 -0.23 0.00 0.00 178.00 178.70 1j3j n THR 468 N -4.31 0.00 -1.72 1.56 -2.24 -1.26 -3.83 114.28 102.47 1j3j n THR 468 Ca -0.01 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1j3j n THR 468 Cb 0.24 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1j3j n THR 468 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1j3j n SER 469 N -1.22 2.87 -1.40 3.42 2.88 -1.14 -4.91 113.62 114.13 1j3j n SER 469 Ca 0.16 1.14 0.02 0.00 -1.33 0.00 0.00 58.87 58.86 1j3j n SER 469 Cb 0.22 -1.53 0.28 0.00 -0.75 0.00 0.00 64.21 62.43 1j3j n SER 469 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j3j n ARG 470 N 0.11 3.25 -0.10 -1.46 1.74 -1.26 -4.26 116.66 114.68 1j3j n ARG 470 Ca 0.05 -3.01 0.09 0.00 -0.77 0.00 0.00 57.85 54.21 1j3j n ARG 470 Cb 0.39 -2.01 0.12 0.00 -1.02 0.00 0.00 32.46 29.95 1j3j n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3j n ARG 471 N -0.36 1.25 -2.83 5.56 1.74 -1.26 -4.92 116.66 115.84 1j3j n ARG 471 Ca 0.30 -2.41 -0.44 0.00 -0.77 0.00 0.00 57.85 54.53 1j3j n ARG 471 Cb 1.11 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 1j3j n ARG 471 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1j3j n ILE 472 N -1.29 4.16 -4.89 0.55 5.41 -1.26 -4.95 119.36 117.08 1j3j n ILE 472 Ca 0.14 -4.53 -0.30 0.00 1.00 0.00 0.00 62.75 59.06 1j3j n ILE 472 Cb 0.63 -2.43 -0.15 0.00 -0.71 0.00 0.00 39.64 36.98 1j3j n ILE 472 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1j3j s LEU 473 N 2.40 2.16 -0.25 1.39 1.02 -1.26 -1.17 118.68 122.97 1j3j s LEU 473 Ca 0.46 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 54.05 1j3j s LEU 473 Cb -0.01 -1.25 0.05 0.00 0.02 0.00 0.00 46.19 45.00 1j3j s LEU 473 CO 0.03 0.25 -0.11 -0.22 0.02 0.00 0.00 176.35 176.31 1j3j s LEU 474 N -1.21 3.19 -0.15 1.79 2.96 -0.05 -4.92 118.68 120.31 1j3j s LEU 474 Ca 0.11 -1.19 0.01 0.00 -0.22 0.00 0.00 54.13 52.84 1j3j s LEU 474 Cb -0.10 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1j3j s LEU 474 CO 0.02 -0.15 -0.16 0.00 -1.32 0.00 0.00 176.35 174.74 1j3j n ALA 476 N 3.92 4.08 -2.65 0.00 0.00 -0.29 -4.77 120.51 120.81 1j3j n ALA 476 Ca -0.19 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1j3j n ALA 476 Cb 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1j3j n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3j s TRP 477 N -3.14 2.83 -0.61 0.00 -0.11 -1.22 -4.79 118.94 111.90 1j3j s TRP 477 Ca 0.04 -1.47 -0.21 0.00 1.22 0.00 0.00 56.10 55.69 1j3j s TRP 477 Cb 0.15 -4.65 0.08 0.00 -1.50 0.00 0.00 33.47 27.55 1j3j s TRP 477 CO 0.86 -1.77 0.82 1.21 -4.62 0.00 0.00 176.95 173.45 1j3j s ASN 478 N 4.21 6.19 0.29 5.86 3.84 -1.26 -4.92 114.94 129.15 1j3j s ASN 478 Ca 0.49 -1.14 0.04 0.00 0.21 0.00 0.00 52.86 52.46 1j3j s ASN 478 Cb 0.01 -2.36 0.73 0.00 -0.55 0.00 0.00 41.25 39.08 1j3j s ASN 478 CO 0.01 -1.23 1.71 0.58 -2.79 0.00 0.00 177.10 175.38 1j3j h VAL 479 N 5.94 0.52 -0.15 -5.21 2.07 -2.01 -0.60 116.25 116.81 1j3j h VAL 479 Ca -0.29 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1j3j h VAL 479 Cb 1.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1j3j h VAL 479 CO 1.12 0.08 -0.24 0.50 0.02 0.00 0.00 177.57 179.06 1j3j h LYS 480 N 0.46 0.27 -0.02 1.57 3.64 -2.02 -3.20 116.57 117.28 1j3j h LYS 480 Ca 0.56 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1j3j h LYS 480 Cb 1.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1j3j h LYS 480 CO -0.50 0.50 -0.12 -0.25 -2.27 0.00 0.00 179.45 176.81 1j3j n ASP 481 N -4.17 1.87 -0.11 4.20 9.92 -0.27 -4.63 116.55 123.36 1j3j n ASP 481 Ca -0.01 -1.51 -0.07 0.00 -0.53 0.00 0.00 54.79 52.67 1j3j n ASP 481 Cb 0.36 0.09 -0.01 0.00 -0.64 0.00 0.00 41.12 40.91 1j3j n ASP 481 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1j3j h LEU 482 N 2.76 -1.01 -1.15 0.64 3.38 -1.44 -0.48 115.31 118.00 1j3j h LEU 482 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1j3j h LEU 482 Cb 0.67 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1j3j h LEU 482 CO 0.00 -0.31 0.00 0.47 0.09 0.00 0.00 178.44 178.69 1j3j n ASP 483 N -5.41 0.61 0.02 -0.43 8.00 -1.26 -1.63 116.55 116.45 1j3j n ASP 483 Ca 0.01 0.73 0.12 0.00 0.71 0.00 0.00 54.79 56.35 1j3j n ASP 483 Cb 0.33 -0.83 0.14 0.00 -0.02 0.00 0.00 41.12 40.74 1j3j n ASP 483 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3j n GLN 484 N -2.26 0.14 -3.12 -1.24 6.02 -0.21 -4.90 117.38 111.80 1j3j n GLN 484 Ca -0.00 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1j3j n GLN 484 Cb 0.11 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1j3j n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3j s MET 485 N -3.09 4.08 0.40 -1.09 -1.94 -0.64 -4.30 119.30 112.72 1j3j s MET 485 Ca 0.08 0.74 0.15 0.00 -1.71 0.00 0.00 55.69 54.94 1j3j s MET 485 Cb 0.16 -2.57 1.00 0.00 2.01 0.00 0.00 34.83 35.43 1j3j s MET 485 CO 0.75 0.23 1.86 0.00 -0.01 0.00 0.00 175.02 177.85 1j3j h ALA 486 N 2.62 2.08 -1.61 3.03 0.00 -1.45 -3.42 119.26 120.50 1j3j h ALA 486 Ca -0.48 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1j3j h ALA 486 Cb 1.18 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.67 1j3j h ALA 486 CO 0.65 -0.34 0.47 -0.48 0.00 0.00 0.00 179.25 179.55 1j3j s LEU 487 N -9.55 -0.44 0.45 0.00 2.34 -1.26 -5.00 118.68 105.23 1j3j s LEU 487 Ca -0.09 0.71 -0.24 0.00 0.06 0.00 0.00 54.13 54.57 1j3j s LEU 487 Cb 0.22 1.92 -0.09 0.00 -0.56 0.00 0.00 46.19 47.69 1j3j s LEU 487 CO 0.78 -0.24 1.28 -2.65 -1.06 0.00 0.00 176.35 174.46 1j3j n PRO 488 N 1.63 1.86 -1.77 1.48 -0.02 -1.26 -4.91 135.00 132.01 1j3j n PRO 488 Ca -0.12 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 1j3j n PRO 488 Cb 0.57 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1j3j n PRO 488 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j3j n PRO 489 N -0.21 2.48 0.07 0.52 -0.04 -1.26 -4.89 135.00 131.67 1j3j n PRO 489 Ca 0.07 0.88 -0.02 0.00 -0.04 0.00 0.00 63.50 64.39 1j3j n PRO 489 Cb 0.41 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 1j3j n PRO 489 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j3j s HIS 491 N -2.85 3.53 0.10 0.00 3.76 -1.26 -1.52 115.29 117.04 1j3j s HIS 491 Ca 0.00 -1.91 -0.28 0.00 -0.15 0.00 0.00 55.06 52.72 1j3j s HIS 491 Cb 0.08 -3.67 -0.13 0.00 1.11 0.00 0.00 32.58 29.98 1j3j s HIS 491 CO 0.79 -0.98 1.65 0.82 -0.85 0.00 0.00 174.74 176.17 1j3j h ILE 492 N 5.36 0.47 -2.75 0.60 1.08 -1.59 -3.41 117.51 117.26 1j3j h ILE 492 Ca -0.07 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.50 1j3j h ILE 492 Cb 1.05 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 35.19 1j3j h ILE 492 CO 0.84 0.00 0.32 -1.48 -0.69 0.00 0.00 178.15 177.14 1j3j s LEU 493 N -10.21 -0.27 -0.04 1.44 0.05 -1.24 -1.13 118.68 107.28 1j3j s LEU 493 Ca -0.16 -0.44 0.03 0.00 0.05 0.00 0.00 54.13 53.62 1j3j s LEU 493 Cb 0.06 2.49 0.00 0.00 -2.05 0.00 0.00 46.19 46.69 1j3j s LEU 493 CO 0.64 -1.12 -0.13 0.00 -0.55 0.00 0.00 176.35 175.19 1j3j s GLN 495 N 0.16 1.67 0.16 0.00 0.74 0.92 -0.87 119.66 122.45 1j3j s GLN 495 Ca -0.04 -0.95 0.08 0.00 0.05 0.00 0.00 55.36 54.50 1j3j s GLN 495 Cb -0.10 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 1j3j s GLN 495 CO 0.01 0.46 -0.06 -0.06 -0.55 0.00 0.00 175.29 175.09 1j3j s PHE 496 N -0.71 2.73 -0.04 1.67 0.40 -0.32 -0.80 117.98 120.91 1j3j s PHE 496 Ca 0.09 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1j3j s PHE 496 Cb -0.09 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1j3j s PHE 496 CO 0.01 0.50 -0.02 -0.47 0.70 0.00 0.00 175.22 175.94 1j3j s TYR 497 N -1.62 0.50 -0.10 0.36 5.04 -0.66 -4.68 117.35 116.18 1j3j s TYR 497 Ca 0.25 -0.09 0.04 0.00 -2.44 0.00 0.00 57.07 54.83 1j3j s TYR 497 Cb -0.09 -0.54 0.00 0.00 0.35 0.00 0.00 41.96 41.68 1j3j s TYR 497 CO 0.16 -0.17 -0.23 0.08 -1.34 0.00 0.00 175.55 174.05 1j3j s VAL 498 N 1.08 1.99 -0.19 3.14 1.01 -1.25 -0.74 120.40 125.43 1j3j s VAL 498 Ca -0.09 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1j3j s VAL 498 Cb -0.14 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.59 1j3j s VAL 498 CO -0.01 0.54 0.45 0.12 0.00 0.00 0.00 175.10 176.20 1j3j s PHE 499 N 0.39 -0.73 -1.38 5.22 5.36 -0.78 -4.66 117.98 121.40 1j3j s PHE 499 Ca -0.18 1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 57.25 1j3j s PHE 499 Cb -0.18 0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1j3j s PHE 499 CO 0.08 -0.41 0.45 -3.47 -1.46 0.00 0.00 175.22 170.41 1j3j n ASP 500 N 4.59 -0.73 -1.06 6.13 2.03 -1.26 -1.50 116.55 124.74 1j3j n ASP 500 Ca -0.19 -1.01 -0.14 0.00 0.52 0.00 0.00 54.79 53.98 1j3j n ASP 500 Cb 0.54 -3.09 -0.06 0.00 -0.72 0.00 0.00 41.12 37.79 1j3j n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3j n GLY 501 N -1.95 1.42 3.21 0.27 0.00 -1.26 -5.00 105.19 101.87 1j3j n GLY 501 Ca -0.29 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1j3j n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3j s LYS 502 N -3.11 2.18 -0.21 1.61 1.02 -0.57 -1.67 119.74 118.99 1j3j s LYS 502 Ca 0.00 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 1j3j s LYS 502 Cb 0.00 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1j3j s LYS 502 CO 0.00 0.34 0.02 -1.17 -0.92 0.00 0.00 175.35 173.61 1j3j s LEU 503 N -0.11 3.30 0.17 3.17 2.96 -0.25 -1.86 118.68 126.07 1j3j s LEU 503 Ca -0.03 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1j3j s LEU 503 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1j3j s LEU 503 CO 0.03 0.04 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.64 1j3j s SER 504 N 1.17 4.70 -0.01 3.68 0.01 0.08 -0.92 113.70 122.39 1j3j s SER 504 Ca 0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1j3j s SER 504 Cb -0.14 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.13 1j3j s SER 504 CO 0.02 0.09 -0.00 0.00 0.41 0.00 0.00 173.24 173.76 1j3j s ILE 506 N 0.56 3.44 -0.08 0.00 1.01 0.02 0.48 121.20 126.64 1j3j s ILE 506 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1j3j s ILE 506 Cb -0.08 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.99 1j3j s ILE 506 CO -0.01 0.57 -0.13 -0.32 0.00 0.00 0.00 174.94 175.04 1j3j s MET 507 N -0.38 1.87 -0.26 2.79 1.75 -0.20 -0.05 119.30 124.81 1j3j s MET 507 Ca 0.05 -0.46 -0.09 0.00 -1.25 0.00 0.00 55.69 53.94 1j3j s MET 507 Cb -0.12 -1.55 -0.04 0.00 2.84 0.00 0.00 34.83 35.96 1j3j s MET 507 CO 0.02 0.01 0.12 -0.47 -0.65 0.00 0.00 175.02 174.06 1j3j s TYR 508 N 0.74 3.14 -0.24 4.11 5.04 -0.55 -0.91 117.35 128.68 1j3j s TYR 508 Ca -0.13 -0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 54.25 1j3j s TYR 508 Cb -0.16 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 1j3j s TYR 508 CO 0.03 -0.28 0.01 -1.14 -1.34 0.00 0.00 175.55 172.83 1j3j s GLN 509 N 1.68 3.48 0.20 4.97 0.74 0.01 -1.87 119.66 128.87 1j3j s GLN 509 Ca 0.07 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1j3j s GLN 509 Cb -0.16 -3.16 0.12 0.00 1.10 0.00 0.00 33.01 30.91 1j3j s GLN 509 CO 0.07 -0.21 1.49 0.07 -0.55 0.00 0.00 175.29 176.16 1j3j h ARG 510 N 8.17 0.41 -4.12 1.67 0.11 -1.57 0.18 114.38 119.24 1j3j h ARG 510 Ca -0.40 -0.30 -0.44 0.00 0.10 0.00 0.00 59.98 58.95 1j3j h ARG 510 Cb 1.16 0.05 -0.34 0.00 1.11 0.00 0.00 29.97 31.95 1j3j h ARG 510 CO 0.59 0.92 -0.78 0.45 0.10 0.00 0.00 179.97 181.25 1j3j s SER 511 N -6.94 1.21 -0.12 0.08 0.15 -1.25 -1.42 113.70 105.41 1j3j s SER 511 Ca -0.06 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 1j3j s SER 511 Cb 0.11 -0.54 0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1j3j s SER 511 CO 0.83 -0.05 -0.04 0.00 1.20 0.00 0.00 173.24 175.18 1j3j s ASP 513 N 1.78 6.29 0.21 0.00 -1.08 -1.26 -1.21 116.67 121.39 1j3j s ASP 513 Ca 0.04 -1.35 -0.10 0.00 -0.52 0.00 0.00 52.55 50.62 1j3j s ASP 513 Cb -0.13 -2.39 0.19 0.00 -1.46 0.00 0.00 42.92 39.13 1j3j s ASP 513 CO -0.07 -1.28 1.85 -0.07 0.52 0.00 0.00 175.17 176.11 1j3j h LEU 514 N 10.83 0.71 -0.43 -1.34 -0.00 -1.70 0.11 115.31 123.48 1j3j h LEU 514 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.53 1j3j h LEU 514 Cb 1.06 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1j3j h LEU 514 CO 1.15 0.49 -0.51 1.23 -0.00 0.00 0.00 178.44 180.79 1j3j h GLY 515 N 0.84 0.81 0.00 0.83 0.00 -1.91 -3.39 103.07 100.25 1j3j h GLY 515 Ca 0.28 -0.91 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 1j3j h GLY 515 CO -0.11 0.82 -1.51 1.04 0.00 0.00 0.00 176.54 176.78 1j3j n LEU 516 N -4.00 2.74 -0.04 3.11 4.77 -1.21 -4.83 117.00 117.54 1j3j n LEU 516 Ca -0.03 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1j3j n LEU 516 Cb 0.60 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1j3j n LEU 516 CO 0.48 0.60 0.21 1.23 -1.33 0.00 0.00 177.39 178.58 1j3j h GLY 517 N 0.57 -0.04 -0.45 -0.72 0.00 -1.15 -3.40 103.07 97.89 1j3j h GLY 517 Ca -0.20 0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.31 1j3j h GLY 517 CO -0.04 -0.01 -0.09 -2.08 0.00 0.00 0.00 176.54 174.31 1j3j h VAL 518 N -0.99 0.28 -0.71 4.60 2.07 -1.10 -1.04 116.25 119.37 1j3j h VAL 518 Ca -0.00 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1j3j h VAL 518 Cb 0.48 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.36 1j3j h VAL 518 CO 0.01 0.01 0.06 -0.65 0.02 0.00 0.00 177.57 177.01 1j3j h PRO 519 N 0.04 0.15 -0.29 1.57 0.11 -1.77 -0.53 132.00 131.28 1j3j h PRO 519 Ca 0.39 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.31 1j3j h PRO 519 Cb 0.66 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1j3j h PRO 519 CO -0.73 0.10 -0.53 0.74 -0.21 0.00 0.00 178.00 177.38 1j3j h PHE 520 N 0.16 1.06 -0.77 0.65 0.04 -1.44 -3.15 116.94 113.49 1j3j h PHE 520 Ca 0.39 -0.37 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1j3j h PHE 520 Cb 0.66 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1j3j h PHE 520 CO -0.35 1.19 0.51 -0.91 -0.60 0.00 0.00 178.31 178.14 1j3j h ASN 521 N 0.66 0.87 -0.57 2.17 -0.26 -0.13 0.20 115.58 118.51 1j3j h ASN 521 Ca 0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1j3j h ASN 521 Cb 1.13 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.15 1j3j h ASN 521 CO 0.12 0.62 0.32 0.40 -1.06 0.00 0.00 177.43 177.83 1j3j h ILE 522 N 1.02 1.18 -0.10 2.81 2.04 -1.21 -1.83 117.51 121.42 1j3j h ILE 522 Ca 0.29 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1j3j h ILE 522 Cb -0.08 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1j3j h ILE 522 CO -0.08 0.19 0.01 0.00 0.00 0.00 0.00 178.15 178.28 1j3j h ALA 523 N 1.15 0.13 -0.34 1.87 0.00 -1.39 -2.07 119.26 118.62 1j3j h ALA 523 Ca 0.20 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1j3j h ALA 523 Cb 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1j3j h ALA 523 CO -0.03 -0.21 -0.25 0.77 0.00 0.00 0.00 179.25 179.53 1j3j h SER 524 N -0.07 -0.81 1.16 0.00 0.02 -0.39 -1.11 113.55 112.35 1j3j h SER 524 Ca 0.03 0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1j3j h SER 524 Cb 0.30 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1j3j h SER 524 CO 0.00 -0.27 -0.34 1.88 -1.14 0.00 0.00 176.83 176.96 1j3j h TYR 525 N -0.20 0.00 -0.32 3.45 0.05 -1.37 -2.08 116.97 116.50 1j3j h TYR 525 Ca 0.17 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.78 1j3j h TYR 525 Cb 0.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1j3j h TYR 525 CO -0.45 0.34 -0.47 0.77 -1.05 0.00 0.00 178.16 177.30 1j3j h SER 526 N 0.00 0.94 -0.49 3.88 0.02 -0.82 0.05 113.55 117.13 1j3j h SER 526 Ca -0.00 -0.47 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1j3j h SER 526 Cb 1.01 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1j3j h SER 526 CO 0.04 1.26 0.01 0.40 -1.14 0.00 0.00 176.83 177.41 1j3j h ILE 527 N 0.68 1.26 -0.74 3.27 2.04 -1.12 -2.12 117.51 120.78 1j3j h ILE 527 Ca 0.04 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1j3j h ILE 527 Cb 1.07 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1j3j h ILE 527 CO 0.11 0.37 0.41 0.15 0.00 0.00 0.00 178.15 179.19 1j3j h PHE 528 N 0.72 1.01 -0.98 1.37 3.57 -1.14 -0.70 116.94 120.78 1j3j h PHE 528 Ca 0.14 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1j3j h PHE 528 Cb 0.49 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1j3j h PHE 528 CO 0.04 0.70 0.65 1.15 -2.23 0.00 0.00 178.31 178.62 1j3j h THR 529 N 1.02 1.21 -0.30 4.41 2.02 -0.69 -0.87 112.91 119.72 1j3j h THR 529 Ca 0.26 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1j3j h THR 529 Cb 0.02 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 1j3j h THR 529 CO -0.04 0.23 0.00 0.45 0.37 0.00 0.00 175.52 176.53 1j3j h HIS 530 N 1.29 0.57 -0.19 3.16 3.86 -0.73 -1.05 115.15 122.05 1j3j h HIS 530 Ca 0.38 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.51 1j3j h HIS 530 Cb -0.08 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1j3j h HIS 530 CO -0.00 0.66 0.06 0.52 0.86 0.00 0.00 177.93 180.02 1j3j h MET 531 N 0.31 0.14 -0.61 2.45 2.07 -0.56 -0.26 114.93 118.47 1j3j h MET 531 Ca 0.08 -0.01 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 1j3j h MET 531 Cb 0.43 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.10 1j3j h MET 531 CO 0.01 0.09 0.14 0.82 1.07 0.00 0.00 176.91 179.05 1j3j h ILE 532 N 0.14 1.25 -0.09 -1.22 1.08 -1.14 -2.48 117.51 115.06 1j3j h ILE 532 Ca 0.08 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 1j3j h ILE 532 Cb 0.06 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1j3j h ILE 532 CO -0.10 0.35 0.03 0.00 -0.69 0.00 0.00 178.15 177.74 1j3j h ALA 533 N 1.04 0.10 -0.16 1.87 0.00 -0.84 -2.69 119.26 118.57 1j3j h ALA 533 Ca 0.19 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j3j h ALA 533 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1j3j h ALA 533 CO 0.00 -0.43 0.08 0.37 0.00 0.00 0.00 179.25 179.28 1j3j h GLN 534 N 0.08 0.17 0.00 0.00 4.15 -0.93 0.14 115.11 118.72 1j3j h GLN 534 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1j3j h GLN 534 Cb 0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1j3j h GLN 534 CO -0.03 0.11 0.00 1.33 -1.93 0.00 0.00 178.83 178.31 1j3j n VAL 535 N -5.01 0.58 0.17 2.39 0.24 -0.94 -1.56 118.33 114.19 1j3j n VAL 535 Ca -0.04 0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.45 1j3j n VAL 535 Cb 0.04 -0.90 0.07 0.00 -1.47 0.00 0.00 33.84 31.58 1j3j n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3j n ASN 537 N 0.40 -4.34 -4.38 0.00 3.02 -0.60 -4.88 115.26 104.47 1j3j n ASN 537 Ca 0.06 -0.51 -0.23 0.00 -0.03 0.00 0.00 54.58 53.87 1j3j n ASN 537 Cb 0.28 -4.59 -0.10 0.00 -0.61 0.00 0.00 39.78 34.75 1j3j n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3j s LEU 538 N -6.34 2.14 -0.08 3.41 1.43 0.39 -5.02 118.68 114.61 1j3j s LEU 538 Ca 0.31 -1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 51.93 1j3j s LEU 538 Cb -0.14 -0.33 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1j3j s LEU 538 CO 0.65 -0.70 -0.00 -1.10 0.23 0.00 0.00 176.35 175.43 1j3j s GLN 539 N -3.85 2.96 0.40 1.70 -1.52 -0.67 -4.10 119.66 114.59 1j3j s GLN 539 Ca 0.32 -0.43 -0.25 0.00 -1.95 0.00 0.00 55.36 53.05 1j3j s GLN 539 Cb 0.07 -2.78 -0.08 0.00 -0.22 0.00 0.00 33.01 30.00 1j3j s GLN 539 CO 0.15 0.70 1.14 -1.25 -0.25 0.00 0.00 175.29 175.77 1j3j s PRO 540 N -0.94 4.08 0.00 2.91 0.04 -1.26 -1.09 135.00 138.74 1j3j s PRO 540 Ca 0.14 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1j3j s PRO 540 Cb -0.11 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1j3j s PRO 540 CO 0.03 -0.27 0.00 0.00 0.04 0.00 0.00 177.00 176.79 1j3j n ALA 541 N 0.04 0.22 -2.63 8.56 0.00 -0.10 -3.74 120.51 122.87 1j3j n ALA 541 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1j3j n ALA 541 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1j3j n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3j s GLN 542 N 0.74 2.54 -0.21 0.00 -0.21 -1.26 0.12 119.66 121.39 1j3j s GLN 542 Ca 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.60 1j3j s GLN 542 Cb 0.00 -2.51 0.01 0.00 1.00 0.00 0.00 33.01 31.51 1j3j s GLN 542 CO 0.00 0.58 -0.11 0.12 -2.12 0.00 0.00 175.29 173.76 1j3j s PHE 543 N -1.10 2.90 -0.23 0.91 5.36 -0.21 -0.18 117.98 125.43 1j3j s PHE 543 Ca 0.20 -1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 54.79 1j3j s PHE 543 Cb -0.11 -2.02 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 1j3j s PHE 543 CO 0.11 -0.69 -0.05 0.42 -1.46 0.00 0.00 175.22 173.55 1j3j s ILE 544 N 1.37 3.29 -0.27 3.12 1.01 0.18 -0.78 121.20 129.12 1j3j s ILE 544 Ca 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 1j3j s ILE 544 Cb -0.14 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1j3j s ILE 544 CO -0.08 0.39 0.17 -2.28 0.00 0.00 0.00 174.94 173.14 1j3j s HIS 545 N 1.46 3.20 -0.21 3.97 2.46 0.24 -1.04 115.29 125.37 1j3j s HIS 545 Ca 0.05 0.04 -0.06 0.00 0.47 0.00 0.00 55.06 55.56 1j3j s HIS 545 Cb -0.15 -2.36 -0.03 0.00 -0.13 0.00 0.00 32.58 29.92 1j3j s HIS 545 CO -0.04 -0.19 0.03 0.08 -2.47 0.00 0.00 174.74 172.16 1j3j s VAL 546 N 1.73 4.22 -0.23 0.89 1.01 -0.09 -0.82 120.40 127.10 1j3j s VAL 546 Ca 0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1j3j s VAL 546 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1j3j s VAL 546 CO 0.10 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 1j3j s LEU 547 N 1.07 3.64 0.00 3.92 1.43 0.85 -0.81 118.68 128.78 1j3j s LEU 547 Ca 0.03 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1j3j s LEU 547 Cb -0.14 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1j3j s LEU 547 CO 0.02 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1j3j n GLY 548 N 4.49 1.43 3.57 -3.19 0.00 0.62 -1.46 105.19 110.65 1j3j n GLY 548 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1j3j n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3j s ASN 549 N -1.00 6.44 -0.31 1.61 3.84 -0.51 -1.11 114.94 123.90 1j3j s ASN 549 Ca 0.00 0.05 -0.10 0.00 0.21 0.00 0.00 52.86 53.02 1j3j s ASN 549 Cb 0.00 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1j3j s ASN 549 CO 0.00 -1.41 0.16 0.00 -2.79 0.00 0.00 177.10 173.06 1j3j s ALA 550 N 4.72 3.31 0.17 1.71 0.00 -0.21 -0.07 121.76 131.38 1j3j s ALA 550 Ca 0.41 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1j3j s ALA 550 Cb -0.08 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1j3j s ALA 550 CO 0.25 -0.87 -0.11 -3.38 0.00 0.00 0.00 175.76 171.65 1j3j s HIS 551 N 1.63 1.40 -0.12 0.00 -3.43 -0.35 -0.87 115.29 113.55 1j3j s HIS 551 Ca 0.05 -0.72 0.01 0.00 -0.80 0.00 0.00 55.06 53.60 1j3j s HIS 551 Cb -0.17 -0.70 0.02 0.00 -1.43 0.00 0.00 32.58 30.30 1j3j s HIS 551 CO 0.07 0.15 -0.12 0.08 -2.00 0.00 0.00 174.74 172.91 1j3j s VAL 552 N -3.24 1.36 0.21 -5.38 1.01 -0.00 -1.62 120.40 112.73 1j3j s VAL 552 Ca 0.19 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1j3j s VAL 552 Cb 0.02 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1j3j s VAL 552 CO 0.03 0.42 1.22 -0.31 0.00 0.00 0.00 175.10 176.45 1j3j s TYR 553 N 1.35 3.38 0.28 5.22 2.02 -1.26 -1.30 117.35 127.03 1j3j s TYR 553 Ca 0.00 1.41 0.02 0.00 -0.37 0.00 0.00 57.07 58.13 1j3j s TYR 553 Cb -0.14 -3.47 0.66 0.00 -0.40 0.00 0.00 41.96 38.62 1j3j s TYR 553 CO -0.06 -1.32 1.71 -0.91 -1.57 0.00 0.00 175.55 173.39 1j3j h ASN 554 N 5.01 0.33 0.00 2.29 2.35 -1.79 0.12 115.58 123.90 1j3j h ASN 554 Ca -0.45 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1j3j h ASN 554 Cb 1.21 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1j3j h ASN 554 CO 0.74 0.03 0.03 0.78 -1.65 0.00 0.00 177.43 177.36 1j3j h ASN 555 N 0.42 0.00 0.20 5.81 2.35 -1.90 -1.90 115.58 120.56 1j3j h ASN 555 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1j3j h ASN 555 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1j3j h ASN 555 CO -0.50 0.00 -1.07 1.41 -1.65 0.00 0.00 177.43 175.62 1j3j n HIS 556 N -2.46 0.08 -0.08 1.19 8.25 0.42 -4.51 115.22 118.11 1j3j n HIS 556 Ca -0.02 0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1j3j n HIS 556 Cb 0.07 -0.23 -0.08 0.00 1.12 0.00 0.00 29.99 30.87 1j3j n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3j h ILE 557 N 0.00 0.04 -0.51 1.59 2.04 -1.32 0.49 117.51 119.84 1j3j h ILE 557 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1j3j h ILE 557 Cb 0.63 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1j3j h ILE 557 CO 0.00 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.64 1j3j h ASP 558 N -0.45 -0.11 -0.57 1.72 3.32 -1.82 0.98 116.42 119.49 1j3j h ASP 558 Ca 0.08 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1j3j h ASP 558 Cb 0.63 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1j3j h ASP 558 CO -0.52 -0.03 0.29 0.28 -1.72 0.00 0.00 179.24 177.54 1j3j h SER 559 N 0.17 0.74 0.24 6.45 0.02 -1.70 -2.35 113.55 117.12 1j3j h SER 559 Ca 0.26 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1j3j h SER 559 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1j3j h SER 559 CO -0.38 0.65 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.60 1j3j h LEU 560 N 0.77 0.08 -0.89 5.07 3.38 0.11 -1.73 115.31 122.10 1j3j h LEU 560 Ca 0.20 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1j3j h LEU 560 Cb 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1j3j h LEU 560 CO -0.03 0.36 0.33 0.11 0.09 0.00 0.00 178.44 179.30 1j3j h LYS 561 N 0.07 1.13 -0.19 1.13 1.57 -0.33 -0.35 116.57 119.59 1j3j h LYS 561 Ca 0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1j3j h LYS 561 Cb 0.54 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j3j h LYS 561 CO 0.04 0.90 0.02 0.82 -0.57 0.00 0.00 179.45 180.66 1j3j h ILE 562 N 1.11 1.24 -0.66 1.86 2.04 -0.99 -3.12 117.51 118.99 1j3j h ILE 562 Ca 0.26 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1j3j h ILE 562 Cb 0.18 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1j3j h ILE 562 CO -0.03 0.24 0.39 -0.61 0.00 0.00 0.00 178.15 178.14 1j3j h GLN 563 N 0.11 0.72 0.00 2.37 4.15 -0.84 -2.14 115.11 119.48 1j3j h GLN 563 Ca 0.06 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1j3j h GLN 563 Cb 0.35 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1j3j h GLN 563 CO 0.01 0.47 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.30 1j3j h LEU 564 N 0.74 0.00 -1.62 -2.39 4.07 -1.02 -0.80 115.31 114.29 1j3j h LEU 564 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1j3j h LEU 564 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1j3j h LEU 564 CO -0.15 0.01 0.00 0.59 -1.08 0.00 0.00 178.44 177.81 1j3j n ASN 565 N -3.63 2.37 -4.75 -0.43 3.02 -0.80 -4.25 115.26 106.78 1j3j n ASN 565 Ca -0.03 -2.11 -0.36 0.00 -0.03 0.00 0.00 54.58 52.06 1j3j n ASN 565 Cb 0.09 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 1j3j n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3j s ARG 566 N -1.58 3.14 -0.13 3.52 0.52 -0.31 -4.77 118.95 119.35 1j3j s ARG 566 Ca 0.26 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.99 1j3j s ARG 566 Cb 0.15 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1j3j s ARG 566 CO 0.15 0.73 0.41 0.42 0.02 0.00 0.00 175.30 177.03 1j3j s ILE 567 N -0.94 5.22 0.71 1.52 1.01 -1.26 -4.98 121.20 122.49 1j3j s ILE 567 Ca 0.14 0.81 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 1j3j s ILE 567 Cb -0.12 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1j3j s ILE 567 CO 0.03 0.36 1.25 -2.65 0.00 0.00 0.00 174.94 173.93 1j3j n PRO 568 N 3.58 0.73 -4.09 2.79 -0.02 -1.26 -4.90 135.00 131.84 1j3j n PRO 568 Ca -0.09 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 1j3j n PRO 568 Cb 0.52 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1j3j n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j3j s TYR 569 N -1.68 3.12 0.32 6.00 2.02 -1.26 -5.06 117.35 120.81 1j3j s TYR 569 Ca 0.79 -0.01 -0.29 0.00 -0.37 0.00 0.00 57.07 57.19 1j3j s TYR 569 Cb -0.34 -1.52 -0.12 0.00 -0.40 0.00 0.00 41.96 39.57 1j3j s TYR 569 CO 0.45 0.52 1.41 -0.35 -1.57 0.00 0.00 175.55 176.01 1j3j n PRO 570 N -0.15 2.33 -0.68 -1.71 -0.04 -1.26 -4.84 135.00 128.65 1j3j n PRO 570 Ca -0.09 0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 63.88 1j3j n PRO 570 Cb 0.54 -2.49 0.17 0.00 -0.04 0.00 0.00 33.50 31.68 1j3j n PRO 570 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3j n PHE 571 N 1.05 0.17 -1.99 0.54 3.72 -1.26 -4.59 117.46 115.10 1j3j n PHE 571 Ca 0.06 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1j3j n PHE 571 Cb 0.36 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 36.97 1j3j n PHE 571 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1j3j n PRO 572 N -3.78 0.62 -4.25 -1.08 -0.04 -1.25 -4.87 135.00 120.35 1j3j n PRO 572 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1j3j n PRO 572 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 1j3j n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3j s THR 573 N 0.11 1.37 -0.11 0.52 -4.23 -0.38 -1.75 115.64 111.17 1j3j s THR 573 Ca 0.00 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1j3j s THR 573 Cb 0.00 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1j3j s THR 573 CO 0.00 -0.42 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.32 1j3j s LEU 574 N -2.49 2.79 -0.08 4.79 2.96 -1.26 0.20 118.68 125.58 1j3j s LEU 574 Ca 0.10 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1j3j s LEU 574 Cb -0.05 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1j3j s LEU 574 CO 0.03 0.21 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.58 1j3j s LYS 575 N 0.07 2.14 0.10 1.98 -0.14 0.29 -5.00 119.74 119.17 1j3j s LYS 575 Ca -0.05 -0.56 0.04 0.00 -1.36 0.00 0.00 55.97 54.04 1j3j s LYS 575 Cb -0.14 -1.72 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 1j3j s LYS 575 CO 0.04 0.05 0.07 -0.51 -0.76 0.00 0.00 175.35 174.24 1j3j s LEU 576 N 0.64 3.70 -0.01 3.17 1.43 -1.26 -1.59 118.68 124.76 1j3j s LEU 576 Ca -0.14 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 1j3j s LEU 576 Cb -0.16 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.61 1j3j s LEU 576 CO 0.04 0.15 1.86 0.21 0.23 0.00 0.00 176.35 178.84 1j3j s ASN 577 N -2.53 6.49 0.00 2.29 3.84 -0.09 -4.85 114.94 120.08 1j3j s ASN 577 Ca 0.29 2.47 0.13 0.00 0.21 0.00 0.00 52.86 55.95 1j3j s ASN 577 Cb -0.12 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.62 1j3j s ASN 577 CO 0.21 -1.05 1.37 -0.81 -2.79 0.00 0.00 177.10 174.04 1j3j n PRO 578 N 7.45 0.06 0.02 0.43 -0.04 -1.26 -3.03 135.00 138.63 1j3j n PRO 578 Ca 0.19 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1j3j n PRO 578 Cb 0.42 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 1j3j n PRO 578 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j3j n ASP 579 N -1.43 0.39 -4.65 3.54 8.00 -1.26 -4.80 116.55 116.35 1j3j n ASP 579 Ca 0.04 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1j3j n ASP 579 Cb 0.13 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1j3j n ASP 579 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j3j s ILE 580 N -3.04 4.28 -0.60 0.53 -1.09 -1.17 -4.89 121.20 115.22 1j3j s ILE 580 Ca 0.11 1.50 0.05 0.00 -2.23 0.00 0.00 60.65 60.08 1j3j s ILE 580 Cb 0.17 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1j3j s ILE 580 CO 0.63 -0.31 0.75 0.29 -1.23 0.00 0.00 174.94 175.07 1j3j n LYS 581 N 6.91 0.34 -4.44 2.79 4.76 -1.26 -4.62 118.16 122.64 1j3j n LYS 581 Ca 0.14 -0.99 -0.24 0.00 -2.87 0.00 0.00 58.31 54.35 1j3j n LYS 581 Cb 0.46 -1.10 -0.17 0.00 -1.84 0.00 0.00 35.03 32.38 1j3j n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1j3j s ASN 582 N -0.54 1.60 0.56 4.39 0.01 -1.26 -4.70 114.94 115.00 1j3j s ASN 582 Ca 0.07 -0.26 0.33 0.00 -0.71 0.00 0.00 52.86 52.29 1j3j s ASN 582 Cb 0.05 -0.74 1.47 0.00 0.41 0.00 0.00 41.25 42.44 1j3j s ASN 582 CO 0.07 0.00 1.80 -0.29 -1.51 0.00 0.00 177.10 177.16 1j3j h ILE 583 N 6.02 0.38 0.00 0.60 6.09 -1.91 0.70 117.51 129.39 1j3j h ILE 583 Ca -0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1j3j h ILE 583 Cb 1.18 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1j3j h ILE 583 CO 0.47 0.00 -0.15 -0.62 -3.07 0.00 0.00 178.15 174.78 1j3j n GLU 584 N -3.99 0.06 -0.07 2.19 1.02 -1.26 -4.04 120.64 114.55 1j3j n GLU 584 Ca 0.20 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1j3j n GLU 584 Cb 1.09 -1.56 0.37 0.00 -0.02 0.00 0.00 31.44 31.32 1j3j n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3j n ASP 585 N -1.67 1.92 -4.77 1.62 8.00 0.24 -4.96 116.55 116.93 1j3j n ASP 585 Ca 0.06 -1.71 -0.38 0.00 0.71 0.00 0.00 54.79 53.47 1j3j n ASP 585 Cb 0.36 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1j3j n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3j s PHE 586 N -1.81 3.55 0.24 1.24 0.08 -1.26 -5.00 117.98 115.02 1j3j s PHE 586 Ca 0.34 1.73 0.04 0.00 0.12 0.00 0.00 56.93 59.17 1j3j s PHE 586 Cb 0.19 -3.09 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 1j3j s PHE 586 CO 0.29 -0.24 -0.03 0.95 -0.10 0.00 0.00 175.22 176.09 1j3j s THR 587 N -1.46 1.21 0.48 0.64 -4.23 -1.26 -5.03 115.64 105.99 1j3j s THR 587 Ca 0.50 -2.06 0.25 0.00 -1.18 0.00 0.00 61.69 59.20 1j3j s THR 587 Cb -0.24 -2.33 0.43 0.00 1.34 0.00 0.00 72.50 71.70 1j3j s THR 587 CO 0.30 -0.35 1.87 -0.29 -0.54 0.00 0.00 174.62 175.61 1j3j h ILE 588 N 2.44 0.61 -0.10 2.99 6.09 -1.97 -0.70 117.51 126.87 1j3j h ILE 588 Ca -0.39 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1j3j h ILE 588 Cb 1.22 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1j3j h ILE 588 CO 0.65 0.04 0.00 -1.54 -3.07 0.00 0.00 178.15 174.23 1j3j n SER 589 N -4.40 0.71 -0.95 2.19 3.41 -1.26 -3.35 113.62 109.96 1j3j n SER 589 Ca 0.19 -1.77 0.10 0.00 -0.26 0.00 0.00 58.87 57.14 1j3j n SER 589 Cb 0.83 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.98 1j3j n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3j n ASP 590 N -0.22 2.80 -4.18 4.04 8.00 -0.27 -4.88 116.55 121.84 1j3j n ASP 590 Ca 0.10 -1.93 -0.29 0.00 0.71 0.00 0.00 54.79 53.37 1j3j n ASP 590 Cb 0.14 -0.28 -0.17 0.00 -0.02 0.00 0.00 41.12 40.80 1j3j n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3j s PHE 591 N -1.45 2.11 -0.05 1.24 0.40 -1.21 -0.91 117.98 118.11 1j3j s PHE 591 Ca 0.36 -0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1j3j s PHE 591 Cb 0.20 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.34 1j3j s PHE 591 CO 0.27 -0.27 0.09 0.99 0.70 0.00 0.00 175.22 177.00 1j3j s THR 592 N 0.18 -0.10 -0.23 0.64 2.01 -0.62 -5.01 115.64 112.50 1j3j s THR 592 Ca -0.10 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 1j3j s THR 592 Cb -0.15 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 1j3j s THR 592 CO 0.05 0.11 0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 1j3j s ILE 593 N 1.53 5.34 0.08 1.82 -1.09 -1.26 -0.55 121.20 127.07 1j3j s ILE 593 Ca -0.04 0.17 0.08 0.00 -2.23 0.00 0.00 60.65 58.63 1j3j s ILE 593 Cb -0.12 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1j3j s ILE 593 CO -0.04 0.37 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.73 1j3j s GLN 594 N 0.90 1.86 -1.37 2.79 -0.21 0.13 -4.74 119.66 119.02 1j3j s GLN 594 Ca 0.07 -1.11 -0.06 0.00 0.02 0.00 0.00 55.36 54.29 1j3j s GLN 594 Cb -0.13 -2.10 0.03 0.00 1.00 0.00 0.00 33.01 31.81 1j3j s GLN 594 CO 0.03 0.51 0.91 0.09 -2.12 0.00 0.00 175.29 174.71 1j3j n ASN 595 N 1.27 -3.22 -4.61 5.90 3.02 -1.26 -1.24 115.26 115.11 1j3j n ASN 595 Ca -0.16 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 1j3j n ASN 595 Cb 0.52 -4.33 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 1j3j n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3j s TYR 596 N -3.46 2.98 -0.21 3.10 5.04 -1.26 -4.20 117.35 119.33 1j3j s TYR 596 Ca 0.29 0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 55.78 1j3j s TYR 596 Cb -0.14 -4.05 -0.01 0.00 0.35 0.00 0.00 41.96 38.11 1j3j s TYR 596 CO 0.79 -1.02 -0.05 0.08 -1.34 0.00 0.00 175.55 174.01 1j3j s VAL 597 N 4.02 3.30 0.14 3.14 1.01 -1.26 -5.06 120.40 125.69 1j3j s VAL 597 Ca 0.45 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1j3j s VAL 597 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1j3j s VAL 597 CO 0.24 0.43 0.14 -1.38 0.00 0.00 0.00 175.10 174.53 1j3j s HIS 598 N 1.41 0.70 0.81 5.22 -3.43 -1.26 -4.70 115.29 114.04 1j3j s HIS 598 Ca 0.05 -1.07 -0.11 0.00 -0.80 0.00 0.00 55.06 53.13 1j3j s HIS 598 Cb -0.14 -0.33 0.10 0.00 -1.43 0.00 0.00 32.58 30.78 1j3j s HIS 598 CO -0.03 -0.60 1.16 -1.01 -2.00 0.00 0.00 174.74 172.26 1j3j s HIS 599 N -4.02 2.65 0.44 0.38 3.76 0.52 -4.96 115.29 114.06 1j3j s HIS 599 Ca 0.22 0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 55.44 1j3j s HIS 599 Cb 0.06 -3.52 -0.09 0.00 1.11 0.00 0.00 32.58 30.14 1j3j s HIS 599 CO 0.01 -1.84 1.19 -1.91 -0.85 0.00 0.00 174.74 171.34 1j3j n GLU 600 N -3.28 1.68 -1.59 1.40 2.13 -1.26 -3.23 120.64 116.48 1j3j n GLU 600 Ca 0.10 0.60 -0.35 0.00 0.66 0.00 0.00 57.16 58.17 1j3j n GLU 600 Cb 0.61 -2.29 0.08 0.00 0.27 0.00 0.00 31.44 30.10 1j3j n GLU 600 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1j3j s LYS 601 N -2.25 2.38 -0.03 5.31 -2.85 -1.26 -3.78 119.74 117.26 1j3j s LYS 601 Ca 0.63 1.77 0.03 0.00 -1.00 0.00 0.00 55.97 57.40 1j3j s LYS 601 Cb -0.51 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1j3j s LYS 601 CO 0.56 -1.65 -0.12 0.42 0.10 0.00 0.00 175.35 174.66 1j3j s ILE 602 N -1.89 0.98 -0.41 3.79 1.01 -1.26 -4.84 121.20 118.57 1j3j s ILE 602 Ca 0.75 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 1j3j s ILE 602 Cb -0.29 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1j3j s ILE 602 CO 0.42 0.30 0.60 -0.44 0.00 0.00 0.00 174.94 175.82 1j3j s SER 603 N 0.12 6.32 0.48 3.58 0.01 -1.26 -4.90 113.70 118.05 1j3j s SER 603 Ca -0.03 -0.27 0.16 0.00 1.31 0.00 0.00 55.95 57.12 1j3j s SER 603 Cb -0.09 -2.30 1.15 0.00 0.21 0.00 0.00 66.02 64.99 1j3j s SER 603 CO 0.01 -0.69 2.04 0.24 0.41 0.00 0.00 173.24 175.25 1j3j h MET 604 N 8.75 0.22 -4.55 12.44 0.00 -1.94 -3.34 114.93 126.51 1j3j h MET 604 Ca -0.26 -0.01 -0.71 0.00 0.00 0.00 0.00 59.70 58.72 1j3j h MET 604 Cb 1.10 -0.05 -0.28 0.00 0.00 0.00 0.00 31.60 32.37 1j3j h MET 604 CO 0.86 0.15 -0.53 0.34 0.00 0.00 0.00 176.91 177.72 1j3j s ASP 605 N -6.54 5.50 -0.07 1.22 2.15 -1.26 -4.06 116.67 113.61 1j3j s ASP 605 Ca -0.06 -1.35 0.03 0.00 0.43 0.00 0.00 52.55 51.60 1j3j s ASP 605 Cb 0.19 -1.93 0.21 0.00 -0.30 0.00 0.00 42.92 41.08 1j3j s ASP 605 CO 0.72 -0.44 0.87 0.23 -0.17 0.00 0.00 175.17 176.38 1j3j n MET 606 N 4.86 1.97 -2.55 4.34 2.81 -1.25 -4.91 117.12 122.39 1j3j n MET 606 Ca -0.11 -0.83 -0.40 0.00 -1.81 0.00 0.00 57.70 54.55 1j3j n MET 606 Cb 0.44 -1.67 -0.05 0.00 -0.71 0.00 0.00 33.22 31.23 1j3j n MET 606 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1j3j s ALA 607 N -1.41 3.38 0.00 3.04 0.00 -1.26 -5.19 121.76 120.33 1j3j s ALA 607 Ca 0.14 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1j3j s ALA 607 Cb 0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1j3j s ALA 607 CO 0.04 -0.08 0.31 0.00 0.00 0.00 0.00 175.76 176.02