#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2g s ILE 390 N 0.00 4.50 0.19 -0.18 1.01 -1.26 -0.62 121.20 124.84 2w2g s ILE 390 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.26 2w2g s ILE 390 Cb 0.00 -3.79 -0.11 0.00 0.01 0.00 0.00 42.46 38.58 2w2g s ILE 390 CO 0.00 -0.60 1.44 0.11 0.00 0.00 0.00 174.94 175.90 2w2g h LYS 391 N 8.52 0.28 -1.44 2.79 6.56 -0.98 -3.47 116.57 128.83 2w2g h LYS 391 Ca -0.24 -0.25 0.15 0.00 -1.06 0.00 0.00 60.65 59.24 2w2g h LYS 391 Cb 1.09 0.06 -0.24 0.00 -0.57 0.00 0.00 32.23 32.57 2w2g h LYS 391 CO 0.82 0.91 0.69 0.00 -2.06 0.00 0.00 179.45 179.81 2w2g s ALA 392 N -3.50 -1.99 -0.03 3.86 0.00 -1.13 -5.04 121.76 113.93 2w2g s ALA 392 Ca -0.04 1.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 2w2g s ALA 392 Cb 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2w2g s ALA 392 CO 0.82 -0.33 0.36 0.00 0.00 0.00 0.00 175.76 176.61 2w2g n ILE 394 N 1.92 4.91 1.72 0.00 5.41 0.14 -4.28 119.36 129.19 2w2g n ILE 394 Ca -0.15 -5.30 0.15 0.00 1.00 0.00 0.00 62.75 58.45 2w2g n ILE 394 Cb 0.53 -2.21 0.81 0.00 -0.71 0.00 0.00 39.64 38.06 2w2g n ILE 394 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2w2g n ASP 395 N 2.44 0.22 0.00 4.38 5.68 -1.20 -4.30 116.55 123.77 2w2g n ASP 395 Ca 0.31 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 2w2g n ASP 395 Cb 0.35 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2w2g n ASP 395 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2w2g n GLU 396 N -0.95 0.00 -0.00 0.11 -0.58 0.32 -4.76 120.64 114.78 2w2g n GLU 396 Ca 0.20 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2w2g n GLU 396 Cb 0.19 -2.38 -0.00 0.00 -0.57 0.00 0.00 31.44 28.68 2w2g n GLU 396 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2w2g h VAL 397 N 0.00 0.00 0.16 2.62 2.07 -1.95 -3.44 116.25 115.71 2w2g h VAL 397 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2w2g h VAL 397 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2w2g h VAL 397 CO 0.00 0.00 -0.08 0.74 0.02 0.00 0.00 177.57 178.25 2w2g h THR 398 N -0.02 0.58 -4.51 2.57 2.02 -1.90 -3.46 112.91 108.19 2w2g h THR 398 Ca 0.00 -1.12 -0.70 0.00 0.77 0.00 0.00 66.41 65.36 2w2g h THR 398 Cb 0.01 1.02 -0.29 0.00 -1.74 0.00 0.00 68.15 67.15 2w2g h THR 398 CO 0.00 0.17 -0.88 -0.89 0.37 0.00 0.00 175.52 174.29 2w2g s THR 399 N -2.86 2.16 0.22 3.16 2.01 -1.26 -5.04 115.64 114.03 2w2g s THR 399 Ca -0.10 -1.12 0.11 0.00 0.31 0.00 0.00 61.69 60.89 2w2g s THR 399 Cb 0.00 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2w2g s THR 399 CO 0.34 0.55 -0.17 0.42 -0.69 0.00 0.00 174.62 175.07 2w2g s THR 400 N -0.65 2.71 0.06 -0.82 -4.23 -1.26 -0.52 115.64 110.93 2w2g s THR 400 Ca 0.10 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 2w2g s THR 400 Cb -0.10 -2.36 -0.18 0.00 1.34 0.00 0.00 72.50 71.20 2w2g s THR 400 CO -0.00 -0.22 1.56 0.25 -0.54 0.00 0.00 174.62 175.67 2w2g h LEU 401 N 2.74 -0.56 -2.33 4.79 5.85 -1.98 -2.04 115.31 121.79 2w2g h LEU 401 Ca -0.45 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2w2g h LEU 401 Cb 1.23 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2w2g h LEU 401 CO 0.54 -0.35 0.00 -0.33 -0.34 0.00 0.00 178.44 177.96 2w2g h GLU 402 N -0.73 0.00 0.06 1.25 4.39 -1.99 -0.08 114.58 117.48 2w2g h GLU 402 Ca -0.07 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.38 2w2g h GLU 402 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2w2g h GLU 402 CO 0.11 0.00 -1.08 1.05 -1.16 0.00 0.00 179.01 177.93 2w2g h GLU 403 N 0.00 0.34 -0.12 2.33 4.11 -1.97 -3.29 114.58 115.99 2w2g h GLU 403 Ca 0.00 -0.45 -0.11 0.00 0.07 0.00 0.00 59.36 58.88 2w2g h GLU 403 Cb 0.01 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2w2g h GLU 403 CO -0.00 1.15 -0.40 1.79 0.07 0.00 0.00 179.01 181.62 2w2g h THR 404 N 0.15 1.30 0.00 -1.06 1.35 -0.33 -2.89 112.91 111.44 2w2g h THR 404 Ca -0.11 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2w2g h THR 404 Cb 1.76 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 2w2g h THR 404 CO 0.18 0.45 0.00 0.11 -0.25 0.00 0.00 175.52 176.01 2w2g h LYS 405 N 0.22 0.00 0.00 4.72 1.79 -1.22 0.94 116.57 123.02 2w2g h LYS 405 Ca 0.02 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 2w2g h LYS 405 Cb 0.80 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2w2g h LYS 405 CO 0.06 0.00 -0.64 0.74 -1.08 0.00 0.00 179.45 178.53 2w2g h PHE 406 N 0.00 0.00 0.23 -1.35 0.04 -1.64 -3.32 116.94 110.90 2w2g h PHE 406 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 2w2g h PHE 406 Cb 0.04 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.22 2w2g h PHE 406 CO 0.00 0.64 -1.51 -0.07 -0.60 0.00 0.00 178.31 176.77 2w2g h LEU 407 N 0.00 0.76 -7.15 1.54 3.38 -0.98 -3.48 115.31 109.38 2w2g h LEU 407 Ca -0.01 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.98 2w2g h LEU 407 Cb 1.14 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 2w2g h LEU 407 CO 0.08 1.71 0.07 0.28 0.09 0.00 0.00 178.44 180.68 2w2g s THR 408 N -2.58 0.02 -0.97 0.22 -1.32 -1.07 -5.02 115.64 104.92 2w2g s THR 408 Ca -0.11 -0.19 0.13 0.00 -1.21 0.00 0.00 61.69 60.31 2w2g s THR 408 Cb 0.04 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.99 2w2g s THR 408 CO 0.91 -0.10 0.67 -3.20 -2.21 0.00 0.00 174.62 170.69 2w2g n ASN 409 N 0.39 1.10 -4.71 8.08 5.15 -1.26 -4.18 115.26 119.82 2w2g n ASN 409 Ca -0.18 -1.05 -0.42 0.00 -0.60 0.00 0.00 54.58 52.33 2w2g n ASN 409 Cb 0.60 0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 40.51 2w2g n ASN 409 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2w2g s LYS 410 N -1.87 4.50 -0.04 1.20 1.02 -1.26 -4.82 119.74 118.48 2w2g s LYS 410 Ca 0.09 1.62 0.02 0.00 0.02 0.00 0.00 55.97 57.72 2w2g s LYS 410 Cb 0.10 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2w2g s LYS 410 CO 0.41 -0.13 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.12 2w2g s LEU 411 N 0.88 3.15 -0.32 3.17 1.43 -0.38 -1.36 118.68 125.25 2w2g s LEU 411 Ca 0.55 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2w2g s LEU 411 Cb -0.26 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2w2g s LEU 411 CO 0.29 0.33 0.05 -0.22 0.23 0.00 0.00 176.35 177.03 2w2g s LEU 412 N -1.05 4.18 0.07 1.79 2.96 -0.42 -1.29 118.68 124.92 2w2g s LEU 412 Ca 0.14 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 2w2g s LEU 412 Cb -0.11 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2w2g s LEU 412 CO 0.04 -0.32 0.21 -0.76 -1.32 0.00 0.00 176.35 174.20 2w2g s LEU 413 N 1.25 4.32 -0.16 -0.68 1.43 0.12 -4.46 118.68 120.49 2w2g s LEU 413 Ca -0.02 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2w2g s LEU 413 Cb -0.20 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 2w2g s LEU 413 CO -0.01 0.16 -0.08 -0.36 0.23 0.00 0.00 176.35 176.29 2w2g s PHE 414 N -1.52 2.92 0.34 0.29 0.08 -1.26 -1.56 117.98 117.27 2w2g s PHE 414 Ca 0.35 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.85 2w2g s PHE 414 Cb -0.13 -1.96 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 2w2g s PHE 414 CO 0.28 -0.26 -0.08 0.00 -0.10 0.00 0.00 175.22 175.06 2w2g s ALA 415 N 0.69 2.86 0.58 5.36 0.00 -0.38 -1.28 121.76 129.59 2w2g s ALA 415 Ca -0.04 -2.08 0.07 0.00 0.00 0.00 0.00 51.96 49.91 2w2g s ALA 415 Cb -0.15 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.10 2w2g s ALA 415 CO 0.02 0.03 0.79 -0.40 0.00 0.00 0.00 175.76 176.20 2w2g n ASP 416 N -0.77 1.82 -0.02 0.00 5.68 -0.37 -2.08 116.55 120.80 2w2g n ASP 416 Ca -0.05 -2.36 0.09 0.00 -0.50 0.00 0.00 54.79 51.98 2w2g n ASP 416 Cb 0.64 -0.44 0.50 0.00 -1.14 0.00 0.00 41.12 40.68 2w2g n ASP 416 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2w2g h ILE 417 N -0.05 0.96 0.00 2.12 1.08 -1.86 -1.33 117.51 118.43 2w2g h ILE 417 Ca -0.26 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2w2g h ILE 417 Cb 1.16 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2w2g h ILE 417 CO 0.35 0.07 0.00 0.59 -0.69 0.00 0.00 178.15 178.48 2w2g n ASN 418 N -4.47 0.00 0.00 1.72 3.02 -1.26 -1.13 115.26 113.14 2w2g n ASN 418 Ca 0.07 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2w2g n ASN 418 Cb 0.26 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2w2g n ASN 418 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w2g n GLY 419 N 1.22 0.43 3.74 7.41 0.00 -0.50 -4.88 105.19 112.61 2w2g n GLY 419 Ca 0.15 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2w2g n GLY 419 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2g s LYS 420 N -1.69 4.25 0.47 1.61 2.20 -1.26 -4.78 119.74 120.54 2w2g s LYS 420 Ca 0.00 0.24 -0.21 0.00 -0.36 0.00 0.00 55.97 55.64 2w2g s LYS 420 Cb 0.00 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 2w2g s LYS 420 CO 0.00 0.25 1.04 -0.51 -0.36 0.00 0.00 175.35 175.78 2w2g s LEU 421 N 0.38 3.90 0.38 5.43 1.43 -1.26 -1.24 118.68 127.69 2w2g s LEU 421 Ca 0.20 1.95 -0.26 0.00 -1.03 0.00 0.00 54.13 54.99 2w2g s LEU 421 Cb -0.14 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 2w2g s LEU 421 CO 0.07 -0.73 1.16 -0.31 0.23 0.00 0.00 176.35 176.77 2w2g s TYR 422 N -1.92 3.15 0.30 0.29 1.51 -0.41 -4.80 117.35 115.47 2w2g s TYR 422 Ca 0.66 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 58.32 2w2g s TYR 422 Cb -0.17 -3.39 0.77 0.00 -0.11 0.00 0.00 41.96 39.06 2w2g s TYR 422 CO 0.21 -1.22 1.63 1.25 -1.11 0.00 0.00 175.55 176.31 2w2g h HIS 423 N 2.85 0.32 -0.52 2.71 2.76 -1.91 -0.10 115.15 121.26 2w2g h HIS 423 Ca -0.48 0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 57.68 2w2g h HIS 423 Cb 1.23 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 2w2g h HIS 423 CO 0.56 -0.27 0.10 -0.44 -1.30 0.00 0.00 177.93 176.57 2w2g h ASP 424 N 0.16 0.76 0.18 3.26 3.32 -1.92 -1.54 116.42 120.63 2w2g h ASP 424 Ca 0.58 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 57.35 2w2g h ASP 424 Cb 1.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2w2g h ASP 424 CO -0.71 0.76 -0.52 0.28 -1.72 0.00 0.00 179.24 177.33 2w2g h SER 425 N 0.77 0.42 0.10 6.45 0.02 -1.40 -3.09 113.55 116.83 2w2g h SER 425 Ca 0.17 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 2w2g h SER 425 Cb 0.33 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2w2g h SER 425 CO 0.00 0.86 -0.44 -0.61 -1.14 0.00 0.00 176.83 175.51 2w2g h GLN 426 N 0.30 0.42 0.00 3.45 5.75 -0.78 -2.79 115.11 121.45 2w2g h GLN 426 Ca 0.01 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2w2g h GLN 426 Cb 1.02 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2w2g h GLN 426 CO 0.09 0.78 0.00 0.09 -2.65 0.00 0.00 178.83 177.13 2w2g n ASN 427 N -4.01 0.00 0.04 -0.69 3.02 -0.62 -2.58 115.26 110.41 2w2g n ASN 427 Ca -0.02 0.29 0.12 0.00 -0.03 0.00 0.00 54.58 54.94 2w2g n ASN 427 Cb 0.52 -0.41 0.24 0.00 -0.61 0.00 0.00 39.78 39.52 2w2g n ASN 427 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2w2g n MET 428 N -1.41 0.16 -3.10 3.52 2.81 -1.05 -4.92 117.12 113.13 2w2g n MET 428 Ca 0.07 0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.68 2w2g n MET 428 Cb 0.20 -1.61 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 2w2g n MET 428 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2w2g s LEU 429 N -3.70 4.09 -0.43 4.03 1.43 -1.07 -5.03 118.68 118.00 2w2g s LEU 429 Ca 0.09 1.35 0.09 0.00 -1.03 0.00 0.00 54.13 54.62 2w2g s LEU 429 Cb 0.15 -4.07 0.29 0.00 0.03 0.00 0.00 46.19 42.60 2w2g s LEU 429 CO 0.69 -0.19 0.66 0.54 0.23 0.00 0.00 176.35 178.28 2w2g n ARG 430 N -0.25 1.24 -1.21 1.70 5.12 -1.26 -4.93 116.66 117.07 2w2g n ARG 430 Ca 0.03 -3.59 -0.07 0.00 -1.93 0.00 0.00 57.85 52.28 2w2g n ARG 430 Cb 0.53 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 2w2g n ARG 430 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2w2g n GLY 431 N 0.79 0.93 3.78 -0.13 0.00 -1.26 -5.03 105.19 104.27 2w2g n GLY 431 Ca 0.24 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2w2g n GLY 431 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2w2g s GLU 432 N -2.54 3.70 -0.53 1.61 8.01 -1.26 -4.96 118.70 122.73 2w2g s GLU 432 Ca 0.00 1.65 -0.28 0.00 0.01 0.00 0.00 54.97 56.35 2w2g s GLU 432 Cb 0.00 -2.28 0.02 0.00 -4.31 0.00 0.00 34.13 27.57 2w2g s GLU 432 CO 0.00 -0.57 1.27 0.34 0.01 0.00 0.00 175.26 176.30 2w2g s ASP 433 N -1.57 6.40 0.00 -0.19 -1.08 -1.26 -4.87 116.67 114.10 2w2g s ASP 433 Ca 0.66 0.33 0.23 0.00 -0.52 0.00 0.00 52.55 53.25 2w2g s ASP 433 Cb -0.25 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.23 2w2g s ASP 433 CO 0.30 -1.48 1.50 0.23 0.52 0.00 0.00 175.17 176.23 2w2g n MET 434 N 8.32 2.65 -0.25 4.34 2.81 -1.26 -4.55 117.12 129.18 2w2g n MET 434 Ca 0.11 -2.54 0.12 0.00 -1.81 0.00 0.00 57.70 53.58 2w2g n MET 434 Cb 0.49 -1.56 0.39 0.00 -0.71 0.00 0.00 33.22 31.83 2w2g n MET 434 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2w2g h SER 435 N 4.40 0.63 -0.55 7.83 0.02 -2.02 -2.28 113.55 121.57 2w2g h SER 435 Ca 0.00 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.15 2w2g h SER 435 Cb 0.99 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2w2g h SER 435 CO 0.00 0.33 0.46 2.19 -1.14 0.00 0.00 176.83 178.67 2w2g h PHE 436 N 0.67 0.00 0.00 3.45 -0.00 -2.01 -1.19 116.94 117.86 2w2g h PHE 436 Ca 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.36 2w2g h PHE 436 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.64 2w2g h PHE 436 CO -0.00 0.00 -0.19 1.25 -0.00 0.00 0.00 178.31 179.37 2w2g h LEU 437 N 0.00 0.00 0.00 2.10 5.85 -1.77 -3.06 115.31 118.43 2w2g h LEU 437 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2w2g h LEU 437 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2w2g h LEU 437 CO -0.00 0.19 -1.42 1.21 -0.34 0.00 0.00 178.44 178.08 2w2g n GLU 438 N -3.33 0.59 0.31 1.25 4.07 -0.46 -4.04 120.64 119.03 2w2g n GLU 438 Ca 0.00 -0.02 0.18 0.00 -0.06 0.00 0.00 57.16 57.26 2w2g n GLU 438 Cb 0.43 -1.68 1.03 0.00 -0.06 0.00 0.00 31.44 31.16 2w2g n GLU 438 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2w2g h LYS 439 N 0.00 0.00 0.00 5.31 1.63 -1.42 -2.85 116.57 119.24 2w2g h LYS 439 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2w2g h LYS 439 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2w2g h LYS 439 CO 0.00 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.75 2w2g n ASP 440 N -3.57 1.66 -4.79 4.20 8.00 -1.26 -5.06 116.55 115.73 2w2g n ASP 440 Ca -0.03 -1.76 -0.33 0.00 0.71 0.00 0.00 54.79 53.38 2w2g n ASP 440 Cb 0.08 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 2w2g n ASP 440 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w2g s ALA 441 N -0.76 2.71 0.69 2.24 0.00 -1.08 -4.60 121.76 120.97 2w2g s ALA 441 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 2w2g s ALA 441 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2w2g s ALA 441 CO 0.00 -0.82 1.07 -1.25 0.00 0.00 0.00 175.76 174.76 2w2g s PRO 442 N -3.91 2.80 0.38 0.00 0.04 -1.26 -5.06 135.00 127.99 2w2g s PRO 442 Ca 0.65 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.89 2w2g s PRO 442 Cb -0.17 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2w2g s PRO 442 CO 0.35 -1.22 0.08 0.71 0.04 0.00 0.00 177.00 176.96 2w2g s TYR 443 N -2.80 2.57 0.10 0.56 2.02 -0.28 -5.06 117.35 114.46 2w2g s TYR 443 Ca 0.61 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2w2g s TYR 443 Cb -0.16 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2w2g s TYR 443 CO 0.50 0.35 0.11 -1.64 -1.57 0.00 0.00 175.55 173.30 2w2g s MET 444 N -3.79 2.95 0.16 -0.62 -1.94 -1.26 -4.78 119.30 110.02 2w2g s MET 444 Ca 0.37 -0.71 -0.32 0.00 -1.71 0.00 0.00 55.69 53.33 2w2g s MET 444 Cb 0.03 -2.74 -0.11 0.00 2.01 0.00 0.00 34.83 34.02 2w2g s MET 444 CO 0.20 0.55 1.74 0.08 -0.01 0.00 0.00 175.02 177.58 2w2g s VAL 445 N -1.49 2.34 0.00 -6.03 1.01 -1.26 -1.55 120.40 113.42 2w2g s VAL 445 Ca 0.30 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2w2g s VAL 445 Cb -0.12 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2w2g s VAL 445 CO 0.23 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2w2g n GLY 446 N 4.04 0.58 3.74 4.51 0.00 0.74 -5.01 105.19 113.80 2w2g n GLY 446 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2w2g n GLY 446 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2w2g s ASP 447 N -1.89 6.48 -0.17 1.61 1.01 -0.59 -4.70 116.67 118.41 2w2g s ASP 447 Ca 0.00 2.83 -0.01 0.00 0.71 0.00 0.00 52.55 56.07 2w2g s ASP 447 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2w2g s ASP 447 CO 0.00 -0.85 -0.11 -0.69 0.21 0.00 0.00 175.17 173.73 2w2g s VAL 448 N 0.19 2.98 -0.11 -1.27 1.01 -1.26 -0.67 120.40 121.27 2w2g s VAL 448 Ca 0.64 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2w2g s VAL 448 Cb -0.46 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2w2g s VAL 448 CO 0.44 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 175.22 2w2g s ILE 449 N 0.95 1.70 -0.06 2.22 1.09 0.48 -4.97 121.20 122.62 2w2g s ILE 449 Ca -0.02 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 2w2g s ILE 449 Cb -0.15 -1.53 -0.00 0.00 -1.06 0.00 0.00 42.46 39.72 2w2g s ILE 449 CO -0.01 0.48 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.23 2w2g s THR 450 N 0.85 1.59 -0.25 2.92 2.01 -1.26 0.34 115.64 121.83 2w2g s THR 450 Ca -0.08 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 2w2g s THR 450 Cb -0.15 -1.37 0.10 0.00 0.01 0.00 0.00 72.50 71.09 2w2g s THR 450 CO -0.00 0.45 0.17 -0.55 -0.69 0.00 0.00 174.62 173.99 2w2g s SER 451 N 0.12 2.63 1.34 3.53 0.15 -0.44 -5.03 113.70 116.00 2w2g s SER 451 Ca -0.07 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2w2g s SER 451 Cb -0.13 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 2w2g s SER 451 CO 0.03 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2w2g n GLY 452 N 5.28 2.85 0.95 9.45 0.00 -1.26 -2.56 105.19 119.91 2w2g n GLY 452 Ca -0.05 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.81 2w2g n GLY 452 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2w2g n ASP 453 N 8.80 2.92 -4.68 1.61 8.00 -1.26 -4.89 116.55 127.04 2w2g n ASP 453 Ca 0.00 -1.92 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 2w2g n ASP 453 Cb 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 2w2g n ASP 453 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2w2g s ILE 454 N -1.78 5.27 -0.07 0.53 1.01 -1.06 -1.25 121.20 123.86 2w2g s ILE 454 Ca 0.34 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.56 2w2g s ILE 454 Cb 0.21 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2w2g s ILE 454 CO 0.31 0.31 -0.22 -0.89 0.00 0.00 0.00 174.94 174.45 2w2g s THR 455 N 1.03 2.33 -0.05 2.92 2.01 -0.41 -1.32 115.64 122.15 2w2g s THR 455 Ca 0.15 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2w2g s THR 455 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2w2g s THR 455 CO 0.06 0.57 -0.25 0.00 -0.69 0.00 0.00 174.62 174.31 2w2g s VAL 457 N -0.19 1.95 -0.36 0.00 0.11 -0.60 -0.38 120.40 120.93 2w2g s VAL 457 Ca -0.03 -1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 57.76 2w2g s VAL 457 Cb -0.13 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 2w2g s VAL 457 CO 0.03 0.55 0.66 -0.69 -3.33 0.00 0.00 175.10 172.32 2w2g s VAL 458 N -0.55 4.86 0.17 2.04 1.01 0.16 -1.25 120.40 126.84 2w2g s VAL 458 Ca 0.09 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.72 2w2g s VAL 458 Cb -0.10 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2w2g s VAL 458 CO -0.01 -0.34 0.24 0.27 0.00 0.00 0.00 175.10 175.27 2w2g s ILE 459 N 2.78 5.02 0.47 2.22 -4.36 -0.88 -0.18 121.20 126.26 2w2g s ILE 459 Ca 0.25 -0.89 -0.21 0.00 -0.26 0.00 0.00 60.65 59.55 2w2g s ILE 459 Cb -0.14 -3.60 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 2w2g s ILE 459 CO 0.15 -0.14 1.05 -2.16 0.24 0.00 0.00 174.94 174.08 2w2g s PRO 460 N -3.33 3.84 -0.24 0.37 0.04 -1.26 -4.71 135.00 129.71 2w2g s PRO 460 Ca 0.33 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2w2g s PRO 460 Cb -0.10 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2w2g s PRO 460 CO 0.27 -0.41 0.44 0.45 0.04 0.00 0.00 177.00 177.79 2w2g s SER 461 N -1.90 6.39 0.27 6.66 0.15 -1.26 -4.91 113.70 119.10 2w2g s SER 461 Ca 0.66 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.76 2w2g s SER 461 Cb -0.18 -2.25 0.37 0.00 -1.71 0.00 0.00 66.02 62.26 2w2g s SER 461 CO 0.21 -0.19 1.78 0.50 1.20 0.00 0.00 173.24 176.74 2w2g h LYS 462 N 7.83 0.76 -0.07 5.44 3.64 -1.82 -0.70 116.57 131.66 2w2g h LYS 462 Ca -0.32 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2w2g h LYS 462 Cb 1.15 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2w2g h LYS 462 CO 0.70 0.77 0.00 0.36 -2.27 0.00 0.00 179.45 179.00 2w2g n LYS 463 N -4.23 0.61 -0.14 1.90 2.85 -1.16 -1.52 118.16 116.47 2w2g n LYS 463 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 2w2g n LYS 463 Cb 0.29 -1.03 0.01 0.00 -0.65 0.00 0.00 35.03 33.64 2w2g n LYS 463 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2w2g n ALA 464 N -0.42 1.44 0.00 0.58 0.00 -1.04 -5.02 120.51 116.05 2w2g n ALA 464 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2w2g n ALA 464 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2w2g n ALA 464 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w2g n GLY 465 N -0.12 0.61 3.78 0.00 0.00 -0.58 -4.98 105.19 103.90 2w2g n GLY 465 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2w2g n GLY 465 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w2g s GLY 466 N -1.04 2.95 0.46 -0.02 0.00 -0.30 -4.96 107.32 104.41 2w2g s GLY 466 Ca 0.00 1.48 0.07 0.00 0.00 0.00 0.00 44.72 46.27 2w2g s GLY 466 CO 0.00 2.14 0.42 -0.51 0.00 0.00 0.00 173.10 175.15 2w2g s THR 467 N -1.14 2.42 0.20 0.90 -4.23 -1.26 -4.42 115.64 108.10 2w2g s THR 467 Ca 0.53 -1.34 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 2w2g s THR 467 Cb -0.44 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.71 2w2g s THR 467 CO 0.60 0.00 1.66 0.74 -0.54 0.00 0.00 174.62 177.07 2w2g h THR 468 N 0.90 1.26 -0.77 3.99 2.02 -1.96 -1.82 112.91 116.53 2w2g h THR 468 Ca -0.39 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 2w2g h THR 468 Cb 1.28 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2w2g h THR 468 CO 0.56 0.42 0.30 -0.33 0.37 0.00 0.00 175.52 176.84 2w2g h GLU 469 N 0.89 1.14 -0.44 6.66 3.07 -1.98 0.28 114.58 124.20 2w2g h GLU 469 Ca 0.15 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 2w2g h GLU 469 Cb 0.58 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2w2g h GLU 469 CO 0.04 0.93 -0.26 0.52 -1.40 0.00 0.00 179.01 178.83 2w2g h MET 470 N 1.12 0.96 -0.14 2.33 2.86 -1.92 -2.12 114.93 118.03 2w2g h MET 470 Ca 0.26 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2w2g h MET 470 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2w2g h MET 470 CO -0.02 1.11 0.08 1.25 1.06 0.00 0.00 176.91 180.38 2w2g h LEU 471 N 0.80 0.18 -1.24 1.22 5.85 -0.85 -2.09 115.31 119.18 2w2g h LEU 471 Ca 0.09 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2w2g h LEU 471 Cb 0.85 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2w2g h LEU 471 CO 0.07 0.22 0.43 0.28 -0.34 0.00 0.00 178.44 179.10 2w2g h SER 472 N 0.13 0.83 0.04 1.25 0.02 -0.93 -2.38 113.55 112.50 2w2g h SER 472 Ca 0.05 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2w2g h SER 472 Cb 0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2w2g h SER 472 CO -0.01 0.63 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.78 2w2g h ARG 473 N 0.96 0.49 -0.06 3.45 2.43 -1.20 -1.96 114.38 118.48 2w2g h ARG 473 Ca 0.25 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2w2g h ARG 473 Cb -0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2w2g h ARG 473 CO -0.05 0.84 -0.46 0.00 -1.51 0.00 0.00 179.97 178.79 2w2g h ALA 474 N 1.12 1.11 -0.00 2.80 0.00 -1.11 -3.00 119.26 120.17 2w2g h ALA 474 Ca 0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2w2g h ALA 474 Cb 0.94 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2w2g h ALA 474 CO 0.08 0.61 -0.74 -0.07 0.00 0.00 0.00 179.25 179.14 2w2g h LEU 475 N 0.13 0.02 -0.22 0.00 4.07 -1.17 -3.12 115.31 115.00 2w2g h LEU 475 Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2w2g h LEU 475 Cb 0.87 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2w2g h LEU 475 CO 0.07 0.75 0.00 0.29 -1.08 0.00 0.00 178.44 178.47 2w2g n LYS 476 N -3.67 0.07 0.04 1.13 5.02 -0.76 -2.21 118.16 117.78 2w2g n LYS 476 Ca -0.01 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.71 2w2g n LYS 476 Cb 0.72 -1.62 0.45 0.00 -0.02 0.00 0.00 35.03 34.56 2w2g n LYS 476 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2w2g n LYS 477 N -1.75 0.12 -2.59 1.97 5.02 -1.18 -4.80 118.16 114.94 2w2g n LYS 477 Ca 0.03 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2w2g n LYS 477 Cb 0.20 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2w2g n LYS 477 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2w2g s VAL 478 N -3.05 4.53 0.19 -0.18 1.01 -0.94 -4.92 120.40 117.04 2w2g s VAL 478 Ca 0.12 1.81 -0.33 0.00 0.00 0.00 0.00 61.98 63.58 2w2g s VAL 478 Cb 0.16 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 2w2g s VAL 478 CO 0.59 0.12 1.64 -2.65 0.00 0.00 0.00 175.10 174.80 2w2g n PRO 479 N 4.11 2.46 -1.67 2.72 -0.02 -1.26 -4.85 135.00 136.49 2w2g n PRO 479 Ca 0.08 0.89 -0.46 0.00 -2.02 0.00 0.00 63.50 61.98 2w2g n PRO 479 Cb 0.49 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 2w2g n PRO 479 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2w2g n VAL 480 N 3.56 0.66 -3.67 -1.45 0.31 -1.26 -4.90 118.33 111.57 2w2g n VAL 480 Ca 0.16 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 2w2g n VAL 480 Cb 0.32 -2.05 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 2w2g n VAL 480 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2w2g n ASP 481 N 7.01 -0.60 -4.64 4.52 -0.08 -1.26 -5.01 116.55 116.49 2w2g n ASP 481 Ca 0.22 -1.28 -0.36 0.00 -1.51 0.00 0.00 54.79 51.86 2w2g n ASP 481 Cb 0.34 0.96 -0.10 0.00 2.34 0.00 0.00 41.12 44.66 2w2g n ASP 481 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2w2g s GLU 482 N -2.02 4.01 0.03 -0.67 2.02 -1.26 -0.78 118.70 120.04 2w2g s GLU 482 Ca 0.09 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.80 2w2g s GLU 482 Cb -0.01 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 2w2g s GLU 482 CO 0.02 0.15 -0.09 0.71 0.02 0.00 0.00 175.26 176.06 2w2g s TYR 483 N 0.76 0.79 -0.14 1.61 2.02 0.12 -4.51 117.35 118.00 2w2g s TYR 483 Ca 0.06 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 2w2g s TYR 483 Cb -0.13 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2w2g s TYR 483 CO 0.02 -0.03 0.33 0.42 -1.57 0.00 0.00 175.55 174.72 2w2g s ILE 484 N -0.97 5.27 0.05 2.71 1.01 -0.47 -1.09 121.20 127.72 2w2g s ILE 484 Ca -0.04 0.64 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 2w2g s ILE 484 Cb -0.08 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2w2g s ILE 484 CO 0.01 0.39 0.08 1.07 0.00 0.00 0.00 174.94 176.49 2w2g n THR 485 N 3.49 0.00 -4.51 2.92 5.66 -0.43 -1.30 114.28 120.11 2w2g n THR 485 Ca -0.11 -0.24 -0.26 0.00 -3.05 0.00 0.00 64.05 60.39 2w2g n THR 485 Cb 0.52 0.16 -0.08 0.00 -1.55 0.00 0.00 70.33 69.38 2w2g n THR 485 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2w2g s THR 486 N -2.57 0.58 -0.19 1.09 -4.23 -1.26 -0.81 115.64 108.24 2w2g s THR 486 Ca 0.04 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 2w2g s THR 486 Cb -0.00 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 2w2g s THR 486 CO 0.03 0.00 1.21 -0.31 -0.54 0.00 0.00 174.62 175.01 2w2g s TYR 487 N -3.21 2.96 0.60 3.99 2.02 -1.26 -4.93 117.35 117.52 2w2g s TYR 487 Ca 0.24 1.11 -0.17 0.00 -0.37 0.00 0.00 57.07 57.87 2w2g s TYR 487 Cb 0.02 -3.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 2w2g s TYR 487 CO 0.15 -1.40 1.13 -1.25 -1.57 0.00 0.00 175.55 172.61 2w2g s PRO 488 N 3.48 3.06 -1.29 -1.71 0.04 -1.26 -4.21 135.00 133.10 2w2g s PRO 488 Ca 0.52 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2w2g s PRO 488 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2w2g s PRO 488 CO 0.13 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2w2g n GLY 489 N -0.09 0.23 3.78 0.56 0.00 -1.26 -4.66 105.19 103.74 2w2g n GLY 489 Ca 0.11 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2w2g n GLY 489 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w2g s GLN 490 N -4.31 4.44 0.00 1.61 -1.52 -1.26 -0.40 119.66 118.22 2w2g s GLN 490 Ca 0.00 1.01 0.00 0.00 -1.95 0.00 0.00 55.36 54.42 2w2g s GLN 490 Cb 0.00 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 2w2g s GLN 490 CO 0.00 0.54 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 2w2g n GLY 491 N 1.79 0.07 3.55 3.09 0.00 -1.26 -4.78 105.19 107.65 2w2g n GLY 491 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2w2g n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w2g n ALA 493 N 12.83 -0.09 -1.44 0.00 0.00 -1.26 -4.67 120.51 125.87 2w2g n ALA 493 Ca 0.36 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 2w2g n ALA 493 Cb 0.43 -1.27 0.10 0.00 0.00 0.00 0.00 19.45 18.71 2w2g n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w2g n GLY 494 N -0.65 -1.30 3.75 0.00 0.00 -0.36 -3.00 105.19 103.62 2w2g n GLY 494 Ca -0.06 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 2w2g n GLY 494 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w2g s TYR 495 N -2.37 2.41 0.68 1.61 2.02 0.46 -4.90 117.35 117.27 2w2g s TYR 495 Ca 0.35 1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 58.41 2w2g s TYR 495 Cb -0.01 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 2w2g s TYR 495 CO 0.25 -2.40 1.07 0.95 -1.57 0.00 0.00 175.55 173.85 2w2g s THR 496 N -1.46 3.89 0.27 -0.71 -4.23 -1.26 -4.40 115.64 107.74 2w2g s THR 496 Ca 0.73 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.84 2w2g s THR 496 Cb -0.34 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.19 2w2g s THR 496 CO 0.39 -0.80 1.87 0.25 -0.54 0.00 0.00 174.62 175.78 2w2g h LEU 497 N -0.58 0.99 -0.98 4.79 5.85 -1.94 -0.53 115.31 122.91 2w2g h LEU 497 Ca -0.45 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 2w2g h LEU 497 Cb 1.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2w2g h LEU 497 CO 0.62 0.60 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.74 2w2g h GLU 498 N 1.11 0.43 -0.10 1.25 4.39 -1.95 0.10 114.58 119.81 2w2g h GLU 498 Ca 0.45 -0.16 -0.21 0.00 0.34 0.00 0.00 59.36 59.78 2w2g h GLU 498 Cb 0.27 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2w2g h GLU 498 CO -0.20 0.66 -0.80 0.93 -1.16 0.00 0.00 179.01 178.44 2w2g h GLU 499 N 0.38 0.59 -0.48 2.33 5.08 -1.72 -1.92 114.58 118.84 2w2g h GLU 499 Ca 0.06 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 2w2g h GLU 499 Cb 0.66 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2w2g h GLU 499 CO 0.05 1.13 -0.12 0.00 -1.00 0.00 0.00 179.01 179.07 2w2g h ALA 500 N 0.72 0.66 -0.29 3.43 0.00 -0.91 -2.22 119.26 120.65 2w2g h ALA 500 Ca -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2w2g h ALA 500 Cb 1.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2w2g h ALA 500 CO 0.15 0.57 0.15 0.87 0.00 0.00 0.00 179.25 180.98 2w2g h LYS 501 N 0.77 0.41 -0.27 0.00 1.57 -0.99 -2.09 116.57 115.98 2w2g h LYS 501 Ca 0.12 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2w2g h LYS 501 Cb 0.67 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2w2g h LYS 501 CO 0.05 0.38 0.10 1.15 -0.57 0.00 0.00 179.45 180.55 2w2g h THR 502 N 0.34 0.94 -0.80 -0.16 2.02 -1.31 0.12 112.91 114.05 2w2g h THR 502 Ca 0.10 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2w2g h THR 502 Cb 0.10 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2w2g h THR 502 CO -0.01 0.04 0.42 0.00 0.37 0.00 0.00 175.52 176.33 2w2g h ALA 503 N 1.17 1.22 -0.12 6.16 0.00 -1.29 0.13 119.26 126.53 2w2g h ALA 503 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2w2g h ALA 503 Cb 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2w2g h ALA 503 CO -0.12 0.61 -0.72 -0.07 0.00 0.00 0.00 179.25 178.95 2w2g h LEU 504 N 1.13 0.65 -0.63 0.00 3.38 -1.02 -2.78 115.31 116.05 2w2g h LEU 504 Ca 0.28 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 2w2g h LEU 504 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2w2g h LEU 504 CO -0.04 1.18 -0.54 0.11 0.09 0.00 0.00 178.44 179.24 2w2g h LYS 505 N 0.38 0.41 0.00 1.13 1.57 -0.48 0.13 116.57 119.72 2w2g h LYS 505 Ca -0.03 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2w2g h LYS 505 Cb 1.32 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2w2g h LYS 505 CO 0.13 0.85 -0.48 0.87 -0.57 0.00 0.00 179.45 180.25 2w2g h LYS 506 N 0.32 0.00 -7.15 3.15 1.57 -0.75 -3.25 116.57 110.47 2w2g h LYS 506 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2w2g h LYS 506 Cb 1.05 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.49 2w2g h LYS 506 CO 0.09 0.48 0.43 0.00 -0.57 0.00 0.00 179.45 179.88 2w2g h LYS 508 N 0.20 0.00 -7.24 0.00 1.57 -1.88 0.35 116.57 109.56 2w2g h LYS 508 Ca -0.49 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.80 2w2g h LYS 508 Cb 1.30 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.66 2w2g h LYS 508 CO 0.52 0.00 0.38 -1.12 -0.57 0.00 0.00 179.45 178.66 2w2g s SER 509 N -4.64 6.07 -0.23 0.86 0.01 -1.26 -4.63 113.70 109.89 2w2g s SER 509 Ca 0.08 1.64 -0.13 0.00 1.31 0.00 0.00 55.95 58.84 2w2g s SER 509 Cb 0.12 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2w2g s SER 509 CO 0.67 -0.97 0.28 0.00 0.41 0.00 0.00 173.24 173.64 2w2g s ALA 510 N -2.72 3.58 -0.05 1.44 0.00 0.04 0.22 121.76 124.27 2w2g s ALA 510 Ca 0.60 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2w2g s ALA 510 Cb -0.13 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2w2g s ALA 510 CO 0.41 -0.28 -0.15 -0.06 0.00 0.00 0.00 175.76 175.67 2w2g s PHE 511 N 1.26 2.67 -0.38 0.00 0.08 0.20 -0.70 117.98 121.12 2w2g s PHE 511 Ca 0.13 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 2w2g s PHE 511 Cb -0.14 -1.62 0.10 0.00 -0.57 0.00 0.00 43.02 40.79 2w2g s PHE 511 CO 0.07 0.16 0.13 0.71 -0.10 0.00 0.00 175.22 176.19 2w2g s TYR 512 N -0.70 3.59 -0.30 0.36 2.02 -0.25 -0.26 117.35 121.80 2w2g s TYR 512 Ca 0.11 -2.49 -0.18 0.00 -0.37 0.00 0.00 57.07 54.15 2w2g s TYR 512 Cb -0.11 -2.99 -0.02 0.00 -0.40 0.00 0.00 41.96 38.45 2w2g s TYR 512 CO 0.00 -0.94 0.50 0.08 -1.57 0.00 0.00 175.55 173.62 2w2g s VAL 513 N 1.10 5.06 0.21 0.71 1.01 -0.13 -1.32 120.40 127.04 2w2g s VAL 513 Ca 0.07 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2w2g s VAL 513 Cb -0.21 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 2w2g s VAL 513 CO -0.05 -0.05 0.90 -0.76 0.00 0.00 0.00 175.10 175.15 2w2g s LEU 514 N 2.33 4.63 0.66 3.92 1.43 0.01 0.28 118.68 131.94 2w2g s LEU 514 Ca 0.19 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 2w2g s LEU 514 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2w2g s LEU 514 CO 0.11 0.16 1.14 -2.16 0.23 0.00 0.00 176.35 175.83 2w2g s PRO 515 N -1.09 2.69 0.00 1.29 0.04 -1.26 -4.40 135.00 132.27 2w2g s PRO 515 Ca 0.40 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2w2g s PRO 515 Cb -0.25 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2w2g s PRO 515 CO 0.31 -1.36 0.00 -1.13 0.04 0.00 0.00 177.00 174.86 2w2g n SER 516 N -2.34 0.00 -4.15 6.66 3.41 -1.26 -5.00 113.62 110.93 2w2g n SER 516 Ca 0.11 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 2w2g n SER 516 Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 2w2g n SER 516 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2w2g s GLU 524 N 0.00 2.17 0.37 4.33 2.56 -1.26 -5.18 118.70 121.69 2w2g s GLU 524 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 54.97 54.35 2w2g s GLU 524 Cb 0.00 -1.78 0.71 0.00 2.00 0.00 0.00 34.13 35.06 2w2g s GLU 524 CO 0.00 0.20 1.98 0.82 -0.56 0.00 0.00 175.26 177.70 2w2g h ILE 525 N 5.49 1.15 0.00 -3.70 5.03 -1.99 -2.75 117.51 120.74 2w2g h ILE 525 Ca -0.29 -0.44 0.00 0.00 -0.12 0.00 0.00 64.86 64.01 2w2g h ILE 525 Cb 1.19 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.59 2w2g h ILE 525 CO 0.47 0.18 0.00 0.18 -0.68 0.00 0.00 178.15 178.30 2w2g n LEU 526 N -4.39 0.35 -0.20 1.44 4.77 -1.26 -2.74 117.00 114.97 2w2g n LEU 526 Ca 0.03 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 2w2g n LEU 526 Cb 0.12 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2w2g n LEU 526 CO 0.37 -0.71 0.21 0.61 -1.33 0.00 0.00 177.39 176.55 2w2g n GLY 527 N -1.10 -0.64 3.65 -0.72 0.00 -1.04 -4.95 105.19 100.40 2w2g n GLY 527 Ca -0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2w2g n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2g s THR 528 N -2.77 4.69 0.47 2.61 2.01 -1.11 -1.01 115.64 120.53 2w2g s THR 528 Ca 0.14 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.99 2w2g s THR 528 Cb 0.17 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2w2g s THR 528 CO 0.71 -0.22 0.04 0.68 -0.69 0.00 0.00 174.62 175.14 2w2g s VAL 529 N 3.19 1.07 -0.51 3.82 -7.23 0.33 -4.96 120.40 116.12 2w2g s VAL 529 Ca 0.42 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2w2g s VAL 529 Cb -0.14 -2.31 0.16 0.00 0.56 0.00 0.00 36.38 34.65 2w2g s VAL 529 CO 0.08 0.00 0.38 -0.55 -0.31 0.00 0.00 175.10 174.70 2w2g s SER 530 N -3.77 2.88 -0.05 4.85 0.15 -1.26 -1.18 113.70 115.31 2w2g s SER 530 Ca 0.14 -3.26 0.04 0.00 0.70 0.00 0.00 55.95 53.57 2w2g s SER 530 Cb 0.03 -0.91 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2w2g s SER 530 CO 0.08 -0.16 -0.14 0.26 1.20 0.00 0.00 173.24 174.48 2w2g s TRP 531 N -0.40 2.70 0.90 3.44 0.51 -1.26 -4.88 118.94 119.96 2w2g s TRP 531 Ca 0.28 -0.18 -0.14 0.00 -2.12 0.00 0.00 56.10 53.94 2w2g s TRP 531 Cb -0.03 -1.64 0.15 0.00 -0.81 0.00 0.00 33.47 31.14 2w2g s TRP 531 CO -0.16 0.17 1.25 0.54 -0.51 0.00 0.00 176.95 178.24 2w2g s ASN 532 N -0.69 3.64 0.23 2.95 2.20 -1.26 -4.77 114.94 117.25 2w2g s ASN 532 Ca 0.10 0.52 -0.06 0.00 -0.94 0.00 0.00 52.86 52.48 2w2g s ASN 532 Cb -0.11 -0.78 0.34 0.00 -2.00 0.00 0.00 41.25 38.71 2w2g s ASN 532 CO 0.01 -2.43 1.79 0.25 -2.94 0.00 0.00 177.10 173.78 2w2g h LEU 533 N -1.42 0.54 -0.10 3.54 5.85 -2.01 -0.91 115.31 120.80 2w2g h LEU 533 Ca -0.45 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.35 2w2g h LEU 533 Cb 1.28 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 2w2g h LEU 533 CO 0.51 0.31 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.71 2w2g h ARG 534 N 0.67 -0.15 -0.75 1.25 2.43 -1.99 0.49 114.38 116.34 2w2g h ARG 534 Ca 0.36 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 2w2g h ARG 534 Cb 0.35 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2w2g h ARG 534 CO -0.25 -0.10 0.35 0.93 -1.51 0.00 0.00 179.97 179.39 2w2g h GLU 535 N -0.15 1.07 -0.50 0.20 5.08 -1.81 -1.12 114.58 117.34 2w2g h GLU 535 Ca 0.08 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2w2g h GLU 535 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2w2g h GLU 535 CO -0.19 0.83 -0.17 0.52 -1.00 0.00 0.00 179.01 178.99 2w2g h MET 536 N 1.06 1.00 -0.42 2.33 2.86 -0.70 -2.07 114.93 118.99 2w2g h MET 536 Ca 0.26 -0.41 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 2w2g h MET 536 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2w2g h MET 536 CO -0.03 1.09 -0.30 -0.07 1.06 0.00 0.00 176.91 178.65 2w2g h LEU 537 N 0.86 0.99 -0.57 1.22 3.38 -0.60 -1.46 115.31 119.13 2w2g h LEU 537 Ca 0.12 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2w2g h LEU 537 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2w2g h LEU 537 CO 0.06 1.20 0.22 0.00 0.09 0.00 0.00 178.44 180.01 2w2g h ALA 538 N 0.85 0.74 -0.15 1.53 0.00 -1.17 -0.63 119.26 120.43 2w2g h ALA 538 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2w2g h ALA 538 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2w2g h ALA 538 CO 0.08 0.36 0.05 1.25 0.00 0.00 0.00 179.25 180.99 2w2g h HIS 539 N 0.79 0.24 -0.43 0.00 -0.00 -1.27 -2.32 115.15 112.16 2w2g h HIS 539 Ca 0.19 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 2w2g h HIS 539 Cb 0.22 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 2w2g h HIS 539 CO 0.01 0.35 -0.01 0.00 -0.00 0.00 0.00 177.93 178.28 2w2g h ALA 540 N 0.86 1.18 -0.23 5.26 0.00 -1.13 -1.17 119.26 124.03 2w2g h ALA 540 Ca 0.05 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2w2g h ALA 540 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2w2g h ALA 540 CO -0.00 0.53 -0.48 1.05 0.00 0.00 0.00 179.25 180.35 2w2g h GLU 541 N 0.65 0.61 -0.14 0.00 4.11 -1.05 -0.24 114.58 118.52 2w2g h GLU 541 Ca 0.13 -0.35 -0.10 0.00 0.07 0.00 0.00 59.36 59.11 2w2g h GLU 541 Cb 0.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2w2g h GLU 541 CO 0.02 0.96 -0.31 1.49 0.07 0.00 0.00 179.01 181.24 2w2g h GLU 542 N 0.49 0.46 0.00 1.06 4.22 -1.27 -3.31 114.58 116.23 2w2g h GLU 542 Ca 0.03 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.16 2w2g h GLU 542 Cb 1.01 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2w2g h GLU 542 CO 0.09 0.91 -0.55 1.79 -2.18 0.00 0.00 179.01 179.07 2w2g h THR 543 N 0.08 0.00 -1.46 0.32 1.35 -1.28 -3.48 112.91 108.44 2w2g h THR 543 Ca 0.00 -0.89 -0.31 0.00 -0.55 0.00 0.00 66.41 64.66 2w2g h THR 543 Cb 0.90 1.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.86 2w2g h THR 543 CO 0.07 0.00 -0.34 0.54 -0.25 0.00 0.00 175.52 175.54 2w2g n ARG 544 N -2.71 -1.13 -1.60 4.72 5.12 -0.11 -5.00 116.66 115.94 2w2g n ARG 544 Ca 0.02 0.88 -0.31 0.00 -1.93 0.00 0.00 57.85 56.51 2w2g n ARG 544 Cb 0.52 -5.12 0.05 0.00 -1.16 0.00 0.00 32.46 26.75 2w2g n ARG 544 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2w2g s LYS 545 N -4.04 2.95 0.04 5.56 1.02 -1.19 -4.86 119.74 119.22 2w2g s LYS 545 Ca 0.00 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 2w2g s LYS 545 Cb 0.00 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2w2g s LYS 545 CO 0.00 -1.09 1.01 -1.17 -0.92 0.00 0.00 175.35 173.18 2w2g s LEU 546 N -5.47 4.40 -0.51 3.17 2.96 -0.55 -4.27 118.68 118.42 2w2g s LEU 546 Ca 0.59 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 2w2g s LEU 546 Cb -0.14 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.10 2w2g s LEU 546 CO 0.54 -0.24 0.28 -0.32 -1.32 0.00 0.00 176.35 175.28 2w2g s MET 547 N 0.74 2.11 0.25 1.98 -2.45 0.34 -1.65 119.30 120.62 2w2g s MET 547 Ca 0.52 -2.34 -0.31 0.00 -1.25 0.00 0.00 55.69 52.31 2w2g s MET 547 Cb -0.23 -3.49 -0.11 0.00 1.25 0.00 0.00 34.83 32.25 2w2g s MET 547 CO 0.29 -1.10 1.58 -2.14 1.05 0.00 0.00 175.02 174.69 2w2g s PRO 548 N 0.21 4.17 -0.05 4.11 0.02 -1.23 -1.78 135.00 140.45 2w2g s PRO 548 Ca 0.15 2.49 -0.02 0.00 0.02 0.00 0.00 61.00 63.63 2w2g s PRO 548 Cb -0.22 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.26 2w2g s PRO 548 CO -0.03 -0.60 0.10 0.42 -0.33 0.00 0.00 177.00 176.56 2w2g s ILE 549 N 0.36 -0.04 -0.44 2.83 -1.09 -0.38 -4.63 121.20 117.80 2w2g s ILE 549 Ca 0.65 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.94 2w2g s ILE 549 Cb -0.46 -0.17 0.02 0.00 -1.58 0.00 0.00 42.46 40.27 2w2g s ILE 549 CO 0.42 0.07 1.18 0.00 -1.23 0.00 0.00 174.94 175.37 2w2g h MET 551 N 9.30 0.00 -0.08 0.00 2.86 -0.89 -2.59 114.93 123.53 2w2g h MET 551 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2w2g h MET 551 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2w2g h MET 551 CO 1.11 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.83 2w2g n ASP 552 N -3.92 1.28 -4.39 1.22 8.00 -1.26 -4.68 116.55 112.80 2w2g n ASP 552 Ca 0.09 -1.54 -0.45 0.00 0.71 0.00 0.00 54.79 53.60 2w2g n ASP 552 Cb 0.65 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.66 2w2g n ASP 552 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2w2g s VAL 553 N -1.90 4.90 0.23 2.53 1.01 -0.98 -4.92 120.40 121.26 2w2g s VAL 553 Ca 0.35 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 2w2g s VAL 553 Cb 0.19 -4.56 0.22 0.00 0.00 0.00 0.00 36.38 32.23 2w2g s VAL 553 CO 0.29 -1.21 1.66 0.03 0.00 0.00 0.00 175.10 175.87 2w2g h ARG 554 N 8.92 0.15 -0.22 2.72 3.08 -1.89 -1.49 114.38 125.65 2w2g h ARG 554 Ca -0.14 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2w2g h ARG 554 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2w2g h ARG 554 CO 1.05 0.10 0.08 0.00 -1.07 0.00 0.00 179.97 180.13 2w2g h ALA 555 N 1.60 1.74 0.06 0.04 0.00 -1.98 -1.33 119.26 119.39 2w2g h ALA 555 Ca 0.36 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2w2g h ALA 555 Cb 0.61 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.33 2w2g h ALA 555 CO -0.55 0.21 -0.97 0.82 0.00 0.00 0.00 179.25 178.77 2w2g h ILE 556 N 0.30 1.35 -0.75 0.00 2.04 -1.68 -3.10 117.51 115.66 2w2g h ILE 556 Ca 0.08 -2.31 -0.05 0.00 1.00 0.00 0.00 64.86 63.58 2w2g h ILE 556 Cb 0.07 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2w2g h ILE 556 CO -0.01 0.69 0.29 0.24 0.00 0.00 0.00 178.15 179.36 2w2g h MET 557 N 0.12 1.14 -0.45 2.37 2.86 -0.90 -1.57 114.93 118.49 2w2g h MET 557 Ca -0.14 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 2w2g h MET 557 Cb 1.66 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 2w2g h MET 557 CO 0.19 0.93 0.23 0.00 1.06 0.00 0.00 176.91 179.32 2w2g h ALA 558 N 1.15 0.58 -0.14 6.32 0.00 -1.35 -0.40 119.26 125.42 2w2g h ALA 558 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2w2g h ALA 558 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2w2g h ALA 558 CO -0.02 0.13 0.06 1.15 0.00 0.00 0.00 179.25 180.57 2w2g h THR 559 N 0.59 0.99 0.02 0.00 2.02 -1.44 -1.61 112.91 113.49 2w2g h THR 559 Ca 0.16 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2w2g h THR 559 Cb 0.09 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2w2g h THR 559 CO -0.02 0.02 -0.02 0.40 0.37 0.00 0.00 175.52 176.27 2w2g h ILE 560 N 0.13 0.95 0.00 3.11 2.04 -1.04 -0.23 117.51 122.47 2w2g h ILE 560 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2w2g h ILE 560 Cb 0.02 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2w2g h ILE 560 CO -0.05 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.53 2w2g h GLN 561 N -0.05 0.00 0.15 2.37 4.20 -0.99 0.33 115.11 121.12 2w2g h GLN 561 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2w2g h GLN 561 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2w2g h GLN 561 CO -0.00 0.14 -1.57 0.00 -0.67 0.00 0.00 178.83 176.73 2w2g h ARG 562 N 0.00 0.32 0.04 1.46 -0.00 -1.05 -3.17 114.38 111.98 2w2g h ARG 562 Ca -0.00 -0.55 -0.28 0.00 -0.50 0.00 0.00 59.98 58.66 2w2g h ARG 562 Cb 0.31 0.20 0.02 0.00 0.00 0.00 0.00 29.97 30.51 2w2g h ARG 562 CO 0.02 1.21 -1.11 -0.22 0.00 0.00 0.00 179.97 179.87 2w2g h LYS 563 N 0.09 0.65 -2.30 0.04 3.64 -0.69 -3.36 116.57 114.63 2w2g h LYS 563 Ca -0.26 -0.75 -0.64 0.00 -1.27 0.00 0.00 60.65 57.73 2w2g h LYS 563 Cb 2.05 0.23 -0.39 0.00 -0.41 0.00 0.00 32.23 33.71 2w2g h LYS 563 CO 0.18 1.33 -0.31 0.66 -2.27 0.00 0.00 179.45 179.04 2w2g n TYR 564 N -3.82 3.63 -1.60 1.91 4.01 0.11 -5.07 117.16 116.33 2w2g n TYR 564 Ca -0.11 -3.77 -0.52 0.00 -0.16 0.00 0.00 57.90 53.34 2w2g n TYR 564 Cb 0.92 -0.66 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 2w2g n TYR 564 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2w2g n LYS 565 N 0.27 1.19 -0.49 -0.72 5.02 -1.20 -2.20 118.16 120.03 2w2g n LYS 565 Ca 0.32 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2w2g n LYS 565 Cb 0.38 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2w2g n LYS 565 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w2g n GLY 566 N 2.66 0.75 3.71 0.72 0.00 -1.26 -5.05 105.19 106.72 2w2g n GLY 566 Ca 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2w2g n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2w2g s ILE 567 N -2.00 3.22 -0.71 -0.61 2.07 -0.94 -4.97 121.20 117.26 2w2g s ILE 567 Ca 0.00 0.83 -0.17 0.00 -1.41 0.00 0.00 60.65 59.89 2w2g s ILE 567 Cb 0.00 -3.53 0.14 0.00 0.13 0.00 0.00 42.46 39.20 2w2g s ILE 567 CO 0.00 0.05 0.79 -0.54 -1.91 0.00 0.00 174.94 173.32 2w2g s LYS 568 N 1.46 3.29 -0.12 3.50 1.02 -1.26 -5.02 119.74 122.62 2w2g s LYS 568 Ca 0.66 -1.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 2w2g s LYS 568 Cb -0.38 -4.44 -0.03 0.00 -0.52 0.00 0.00 37.83 32.47 2w2g s LYS 568 CO 0.30 -1.51 1.39 0.42 -0.92 0.00 0.00 175.35 175.03 2w2g s ILE 569 N 1.94 4.03 0.04 2.17 1.01 -1.26 -5.00 121.20 124.13 2w2g s ILE 569 Ca 0.17 1.26 -0.14 0.00 0.00 0.00 0.00 60.65 61.94 2w2g s ILE 569 Cb -0.17 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2w2g s ILE 569 CO -0.01 -0.10 0.31 -1.58 0.00 0.00 0.00 174.94 173.56 2w2g s GLN 570 N 3.55 0.81 0.46 2.79 0.74 -1.26 -5.15 119.66 121.60 2w2g s GLN 570 Ca 0.61 -0.49 -0.24 0.00 0.05 0.00 0.00 55.36 55.28 2w2g s GLN 570 Cb -0.26 0.35 -0.08 0.00 1.10 0.00 0.00 33.01 34.12 2w2g s GLN 570 CO 0.20 -0.26 1.31 -1.91 -0.55 0.00 0.00 175.29 174.08 2w2g n GLU 571 N 0.59 1.90 0.00 1.67 2.13 -1.26 -4.55 120.64 121.11 2w2g n GLU 571 Ca -0.19 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2w2g n GLU 571 Cb 0.59 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2w2g n GLU 571 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2w2g n GLY 572 N 0.77 -0.30 3.70 8.31 0.00 0.14 -4.87 105.19 112.93 2w2g n GLY 572 Ca 0.07 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2w2g n GLY 572 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w2g s ILE 573 N 0.00 3.81 -0.21 -0.61 -1.09 -1.26 -0.74 121.20 121.10 2w2g s ILE 573 Ca 0.00 1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 2w2g s ILE 573 Cb 0.00 -3.79 0.07 0.00 -1.58 0.00 0.00 42.46 37.16 2w2g s ILE 573 CO 0.00 0.03 0.07 -0.69 -1.23 0.00 0.00 174.94 173.12 2w2g s VAL 574 N 1.98 0.26 -0.71 2.92 1.01 -0.85 -4.99 120.40 120.03 2w2g s VAL 574 Ca 0.62 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2w2g s VAL 574 Cb -0.31 -0.92 0.15 0.00 0.00 0.00 0.00 36.38 35.31 2w2g s VAL 574 CO 0.26 -0.34 0.73 -0.62 0.00 0.00 0.00 175.10 175.13 2w2g s ASP 575 N 1.97 6.45 -0.35 3.32 -1.08 -1.26 -1.36 116.67 124.36 2w2g s ASP 575 Ca 0.02 -2.04 0.02 0.00 -0.52 0.00 0.00 52.55 50.04 2w2g s ASP 575 Cb -0.17 -2.26 0.15 0.00 -1.46 0.00 0.00 42.92 39.19 2w2g s ASP 575 CO -0.14 -0.86 0.36 -0.47 0.52 0.00 0.00 175.17 174.59 2w2g s TYR 576 N 1.54 -0.41 0.00 -5.34 6.14 -1.26 -4.93 117.35 113.09 2w2g s TYR 576 Ca 0.14 -0.58 0.00 0.00 0.64 0.00 0.00 57.07 57.28 2w2g s TYR 576 Cb -0.18 -0.39 0.00 0.00 0.42 0.00 0.00 41.96 41.81 2w2g s TYR 576 CO -0.02 -0.96 0.00 0.41 0.64 0.00 0.00 175.55 175.62 2w2g n GLY 577 N 4.57 1.53 3.28 8.97 0.00 -1.26 -4.77 105.19 117.50 2w2g n GLY 577 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2w2g n GLY 577 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w2g s VAL 578 N 0.00 1.77 -0.79 1.61 1.01 -1.26 -4.67 120.40 118.08 2w2g s VAL 578 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 2w2g s VAL 578 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 36.38 34.90 2w2g s VAL 578 CO 0.00 0.15 1.12 -0.13 0.00 0.00 0.00 175.10 176.25 2w2g s ARG 579 N -1.42 3.31 0.39 2.72 0.52 -1.26 -4.40 118.95 118.81 2w2g s ARG 579 Ca 0.08 -1.00 -0.06 0.00 -0.52 0.00 0.00 55.73 54.23 2w2g s ARG 579 Cb -0.09 -4.54 -0.05 0.00 0.52 0.00 0.00 34.95 30.78 2w2g s ARG 579 CO 0.03 -1.92 0.69 -0.06 0.02 0.00 0.00 175.30 174.06 2w2g s PHE 580 N 4.14 3.51 -0.41 -0.53 0.08 -0.46 -0.50 117.98 123.79 2w2g s PHE 580 Ca 0.30 0.77 0.02 0.00 0.12 0.00 0.00 56.93 58.14 2w2g s PHE 580 Cb -0.10 -2.23 0.12 0.00 -0.57 0.00 0.00 43.02 40.24 2w2g s PHE 580 CO 0.03 -0.05 0.19 0.12 -0.10 0.00 0.00 175.22 175.41 2w2g s PHE 581 N -2.40 2.29 -0.10 0.36 5.36 -0.74 -2.00 117.98 120.75 2w2g s PHE 581 Ca 0.47 -2.45 -0.30 0.00 -0.96 0.00 0.00 56.93 53.69 2w2g s PHE 581 Cb -0.10 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 2w2g s PHE 581 CO 0.36 -0.81 1.02 -0.06 -1.46 0.00 0.00 175.22 174.27 2w2g s PHE 582 N 0.58 3.49 0.23 10.12 0.08 0.08 -1.25 117.98 131.30 2w2g s PHE 582 Ca 0.15 1.56 0.07 0.00 0.12 0.00 0.00 56.93 58.84 2w2g s PHE 582 Cb -0.23 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 2w2g s PHE 582 CO -0.06 -0.32 -0.11 1.52 -0.10 0.00 0.00 175.22 176.16 2w2g s TYR 583 N 2.05 1.80 0.31 0.36 -0.85 -0.58 -0.68 117.35 119.75 2w2g s TYR 583 Ca 0.49 -0.62 0.07 0.00 -0.52 0.00 0.00 57.07 56.49 2w2g s TYR 583 Cb -0.19 -0.91 -0.03 0.00 0.38 0.00 0.00 41.96 41.22 2w2g s TYR 583 CO 0.18 0.32 0.28 0.95 -1.52 0.00 0.00 175.55 175.77 2w2g s THR 584 N -2.99 3.93 -0.97 -3.49 -4.23 -1.26 -0.13 115.64 106.50 2w2g s THR 584 Ca 0.25 -1.33 0.27 0.00 -1.18 0.00 0.00 61.69 59.71 2w2g s THR 584 Cb 0.01 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.78 2w2g s THR 584 CO 0.09 -0.23 1.87 -1.54 -0.54 0.00 0.00 174.62 174.26 2w2g n SER 585 N -1.34 0.09 -0.01 3.99 3.41 -1.26 -3.25 113.62 115.25 2w2g n SER 585 Ca -0.04 0.51 -0.17 0.00 -0.26 0.00 0.00 58.87 58.92 2w2g n SER 585 Cb 0.59 -0.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 2w2g n SER 585 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2w2g h LYS 586 N 0.00 0.23 -6.56 4.33 3.64 -1.94 -3.45 116.57 112.81 2w2g h LYS 586 Ca 0.00 -0.28 -0.53 0.00 -1.27 0.00 0.00 60.65 58.57 2w2g h LYS 586 Cb 0.50 0.09 0.04 0.00 -0.41 0.00 0.00 32.23 32.45 2w2g h LYS 586 CO 0.00 1.04 0.94 -2.00 -2.27 0.00 0.00 179.45 177.16 2w2g s GLU 587 N -2.88 4.19 0.63 1.90 2.12 -1.20 -4.97 118.70 118.49 2w2g s GLU 587 Ca -0.15 2.40 -0.17 0.00 0.36 0.00 0.00 54.97 57.41 2w2g s GLU 587 Cb 0.01 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2w2g s GLU 587 CO 0.77 -0.67 1.14 -2.14 -0.54 0.00 0.00 175.26 173.82 2w2g s PRO 588 N 1.66 2.88 0.13 4.30 0.02 -1.26 -4.85 135.00 137.87 2w2g s PRO 588 Ca 0.72 1.56 -0.20 0.00 0.02 0.00 0.00 61.00 63.11 2w2g s PRO 588 Cb -0.44 -1.95 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 2w2g s PRO 588 CO 0.32 -1.22 1.71 0.28 -0.33 0.00 0.00 177.00 177.76 2w2g h VAL 589 N 0.41 0.81 -0.85 3.83 2.07 -1.94 -2.18 116.25 118.40 2w2g h VAL 589 Ca -0.48 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.20 2w2g h VAL 589 Cb 1.26 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 2w2g h VAL 589 CO 0.54 0.01 0.56 0.00 0.02 0.00 0.00 177.57 178.70 2w2g h ALA 590 N 1.20 2.10 -0.22 1.67 0.00 -1.93 0.14 119.26 122.23 2w2g h ALA 590 Ca 0.10 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 2w2g h ALA 590 Cb 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2w2g h ALA 590 CO -0.20 -0.35 -0.68 1.03 0.00 0.00 0.00 179.25 179.05 2w2g h SER 591 N 0.46 0.97 -0.32 0.00 0.87 -1.79 -1.41 113.55 112.34 2w2g h SER 591 Ca 0.43 -0.58 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 2w2g h SER 591 Cb 0.98 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2w2g h SER 591 CO -0.16 1.39 0.06 0.40 -0.53 0.00 0.00 176.83 177.98 2w2g h ILE 592 N 0.60 1.23 -0.93 2.23 2.04 -0.61 -2.06 117.51 120.01 2w2g h ILE 592 Ca -0.02 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2w2g h ILE 592 Cb 1.30 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 2w2g h ILE 592 CO 0.14 0.26 0.61 0.40 0.00 0.00 0.00 178.15 179.57 2w2g h ILE 593 N 0.35 1.24 -0.61 -0.67 2.04 -0.78 -1.01 117.51 118.07 2w2g h ILE 593 Ca 0.10 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2w2g h ILE 593 Cb 0.33 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2w2g h ILE 593 CO 0.00 0.23 0.17 0.74 0.00 0.00 0.00 178.15 179.30 2w2g h THR 594 N 1.26 1.25 -0.46 -0.27 2.02 -1.16 0.13 112.91 115.68 2w2g h THR 594 Ca 0.34 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 2w2g h THR 594 Cb -0.14 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2w2g h THR 594 CO -0.07 0.33 -0.03 0.11 0.37 0.00 0.00 175.52 176.23 2w2g h LYS 595 N 0.88 0.77 0.06 6.66 1.57 -0.94 -1.01 116.57 124.55 2w2g h LYS 595 Ca 0.19 -0.22 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 2w2g h LYS 595 Cb 0.31 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2w2g h LYS 595 CO -0.00 0.80 -1.07 -0.07 -0.57 0.00 0.00 179.45 178.54 2w2g h LEU 596 N 0.72 0.51 -0.92 2.94 3.38 -0.93 -2.26 115.31 118.75 2w2g h LEU 596 Ca 0.14 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 2w2g h LEU 596 Cb 0.48 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2w2g h LEU 596 CO 0.02 1.29 0.04 0.78 0.09 0.00 0.00 178.44 180.67 2w2g h ASN 597 N 0.17 0.80 -0.24 -0.43 2.35 -0.60 -2.24 115.58 115.39 2w2g h ASN 597 Ca -0.11 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 2w2g h ASN 597 Cb 1.74 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.89 2w2g h ASN 597 CO 0.18 0.84 -0.09 -1.28 -1.65 0.00 0.00 177.43 175.43 2w2g h SER 598 N 0.79 0.49 0.29 5.81 0.87 -1.19 -3.06 113.55 117.55 2w2g h SER 598 Ca 0.16 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2w2g h SER 598 Cb 0.41 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2w2g h SER 598 CO 0.01 0.78 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.95 2w2g h LEU 599 N 0.21 0.00 -2.08 2.23 4.07 -1.27 -3.47 115.31 114.99 2w2g h LEU 599 Ca 0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.83 2w2g h LEU 599 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2w2g h LEU 599 CO 0.03 0.07 -0.48 -3.20 -1.08 0.00 0.00 178.44 173.78 2w2g n ASN 600 N -3.55 -2.07 -3.78 -0.43 2.85 -0.86 -5.00 115.26 102.43 2w2g n ASN 600 Ca -0.02 -0.23 -0.10 0.00 -0.11 0.00 0.00 54.58 54.12 2w2g n ASN 600 Cb 0.18 -0.64 -0.06 0.00 1.24 0.00 0.00 39.78 40.50 2w2g n ASN 600 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2w2g s GLU 601 N -2.09 0.91 0.26 1.20 -1.05 -1.26 -4.98 118.70 111.69 2w2g s GLU 601 Ca 0.08 -0.83 -0.31 0.00 -0.15 0.00 0.00 54.97 53.76 2w2g s GLU 601 Cb -0.01 0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.94 2w2g s GLU 601 CO 0.36 -0.31 1.56 -2.30 0.95 0.00 0.00 175.26 175.51 2w2g n PRO 602 N -0.04 2.48 -4.43 -4.83 -0.02 -1.26 -4.22 135.00 122.68 2w2g n PRO 602 Ca -0.16 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 61.98 2w2g n PRO 602 Cb 0.62 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 2w2g n PRO 602 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2w2g s LEU 603 N -0.02 2.56 -0.12 2.45 1.43 0.71 -1.48 118.68 124.20 2w2g s LEU 603 Ca 0.67 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2w2g s LEU 603 Cb -0.55 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 44.73 2w2g s LEU 603 CO 0.46 -0.01 0.04 0.54 0.23 0.00 0.00 176.35 177.61 2w2g s VAL 604 N -2.52 0.22 0.19 -1.59 0.11 -0.66 -1.07 120.40 115.09 2w2g s VAL 604 Ca 0.26 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.12 2w2g s VAL 604 Cb -0.04 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2w2g s VAL 604 CO 0.12 -0.02 0.36 0.28 -3.33 0.00 0.00 175.10 172.51 2w2g s THR 605 N 2.02 0.04 0.40 5.04 -1.32 -0.32 -3.51 115.64 117.98 2w2g s THR 605 Ca 0.03 -1.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.17 2w2g s THR 605 Cb -0.14 -1.94 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 2w2g s THR 605 CO -0.07 -0.18 0.61 -0.04 -2.21 0.00 0.00 174.62 172.74 2w2g s MET 606 N -3.98 3.23 -0.07 7.08 -1.94 -1.26 -0.58 119.30 121.78 2w2g s MET 606 Ca 0.19 -0.47 -0.29 0.00 -1.71 0.00 0.00 55.69 53.40 2w2g s MET 606 Cb 0.02 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 34.18 2w2g s MET 606 CO 0.03 -0.09 1.84 -2.14 -0.01 0.00 0.00 175.02 174.65 2w2g s PRO 607 N -4.44 3.97 0.09 2.03 0.02 -1.26 -4.85 135.00 130.56 2w2g s PRO 607 Ca 0.45 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 63.41 2w2g s PRO 607 Cb -0.10 -4.11 -0.10 0.00 0.02 0.00 0.00 34.50 30.21 2w2g s PRO 607 CO 0.37 -1.13 1.83 0.42 -0.33 0.00 0.00 177.00 178.17 2w2g s ILE 608 N 4.95 2.73 0.00 2.83 1.01 -1.26 -2.39 121.20 129.06 2w2g s ILE 608 Ca 0.82 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2w2g s ILE 608 Cb -0.36 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2w2g s ILE 608 CO 0.35 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2w2g n GLY 609 N 4.27 1.95 3.64 6.18 0.00 -1.26 -4.76 105.19 115.21 2w2g n GLY 609 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2w2g n GLY 609 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2w2g s TYR 610 N -2.49 1.55 0.00 1.61 5.04 -1.01 -1.70 117.35 120.35 2w2g s TYR 610 Ca 0.00 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2w2g s TYR 610 Cb 0.00 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.25 2w2g s TYR 610 CO 0.00 -4.28 0.00 0.28 -1.34 0.00 0.00 175.55 170.21 2w2g n VAL 611 N 6.36 0.00 -0.32 3.14 0.31 -0.49 -4.63 118.33 122.70 2w2g n VAL 611 Ca 0.22 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.73 2w2g n VAL 611 Cb 0.43 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.74 2w2g n VAL 611 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2w2g h THR 612 N 0.00 0.28 -0.37 2.52 1.35 -1.87 -0.71 112.91 114.11 2w2g h THR 612 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2w2g h THR 612 Cb 0.00 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 2w2g h THR 612 CO 0.00 0.04 0.00 1.41 -0.25 0.00 0.00 175.52 176.72 2w2g n HIS 613 N -5.17 0.67 -0.69 4.73 8.25 -0.69 -4.79 115.22 117.54 2w2g n HIS 613 Ca 0.26 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 2w2g n HIS 613 Cb 0.84 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.84 2w2g n HIS 613 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2w2g n GLY 614 N 0.38 0.69 3.78 -1.41 0.00 -0.27 -5.02 105.19 103.33 2w2g n GLY 614 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2w2g n GLY 614 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2w2g s PHE 615 N -2.27 3.74 0.83 1.61 0.08 -1.08 -4.84 117.98 116.05 2w2g s PHE 615 Ca 0.00 1.74 -0.07 0.00 0.12 0.00 0.00 56.93 58.72 2w2g s PHE 615 Cb 0.00 -2.88 0.16 0.00 -0.57 0.00 0.00 43.02 39.73 2w2g s PHE 615 CO 0.00 0.28 1.14 0.54 -0.10 0.00 0.00 175.22 177.08 2w2g s ASN 616 N -1.53 3.77 0.22 1.36 4.22 -1.26 -1.39 114.94 120.33 2w2g s ASN 616 Ca 0.47 -0.15 -0.08 0.00 -2.14 0.00 0.00 52.86 50.97 2w2g s ASN 616 Cb -0.20 -0.06 0.27 0.00 1.28 0.00 0.00 41.25 42.54 2w2g s ASN 616 CO 0.25 -2.27 1.84 0.25 -2.04 0.00 0.00 177.10 175.13 2w2g h LEU 617 N -1.01 0.73 -0.45 3.54 5.85 -1.98 -1.87 115.31 120.12 2w2g h LEU 617 Ca -0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2w2g h LEU 617 Cb 1.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2w2g h LEU 617 CO 0.38 0.48 0.30 -0.08 -0.34 0.00 0.00 178.44 179.18 2w2g h GLU 618 N 0.87 0.59 -0.31 1.25 4.81 -1.97 0.06 114.58 119.88 2w2g h GLU 618 Ca 0.33 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 2w2g h GLU 618 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2w2g h GLU 618 CO -0.16 0.39 -0.33 0.93 -0.73 0.00 0.00 179.01 179.11 2w2g h GLU 619 N 0.60 0.67 -0.45 1.92 5.08 -1.89 -1.44 114.58 119.08 2w2g h GLU 619 Ca 0.16 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2w2g h GLU 619 Cb -0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2w2g h GLU 619 CO -0.04 0.91 0.03 0.00 -1.00 0.00 0.00 179.01 178.91 2w2g h ALA 620 N 1.07 0.60 -0.43 3.43 0.00 -1.03 -2.46 119.26 120.44 2w2g h ALA 620 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2w2g h ALA 620 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2w2g h ALA 620 CO 0.07 0.37 0.25 0.00 0.00 0.00 0.00 179.25 179.93 2w2g h ALA 621 N 0.92 0.54 -0.90 0.00 0.00 -0.82 -0.75 119.26 118.26 2w2g h ALA 621 Ca 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2w2g h ALA 621 Cb 0.45 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2w2g h ALA 621 CO 0.02 0.05 0.60 0.00 0.00 0.00 0.00 179.25 179.91 2w2g h ARG 622 N 0.56 1.17 -0.15 0.00 3.08 -1.21 -1.89 114.38 115.93 2w2g h ARG 622 Ca 0.15 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2w2g h ARG 622 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2w2g h ARG 622 CO -0.03 0.78 -0.59 0.00 -1.07 0.00 0.00 179.97 179.06 2w2g h MET 624 N 0.38 0.00 -0.49 0.00 2.86 -0.34 -2.14 114.93 115.20 2w2g h MET 624 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2w2g h MET 624 Cb 1.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 2w2g h MET 624 CO 0.11 0.03 0.33 0.00 1.06 0.00 0.00 176.91 178.43 2w2g h ARG 625 N 0.00 0.34 0.00 1.72 3.08 -1.43 -0.79 114.38 117.30 2w2g h ARG 625 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2w2g h ARG 625 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2w2g h ARG 625 CO 0.00 0.23 0.00 0.43 -1.07 0.00 0.00 179.97 179.56 2w2g n SER 626 N -4.47 0.00 -4.67 7.04 7.64 -0.81 -4.74 113.62 113.62 2w2g n SER 626 Ca 0.07 0.40 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 2w2g n SER 626 Cb 0.30 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 2w2g n SER 626 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2w2g s LEU 627 N -2.93 4.16 -0.08 -3.43 2.96 -0.31 -4.92 118.68 114.14 2w2g s LEU 627 Ca 0.14 1.31 0.11 0.00 -0.22 0.00 0.00 54.13 55.48 2w2g s LEU 627 Cb 0.17 -3.40 -0.16 0.00 0.50 0.00 0.00 46.19 43.29 2w2g s LEU 627 CO 0.46 -0.51 0.13 0.54 -1.32 0.00 0.00 176.35 175.65 2w2g n ARG 628 N 5.61 1.45 -1.82 1.98 1.74 -1.26 -4.92 116.66 119.44 2w2g n ARG 628 Ca 0.08 -0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 2w2g n ARG 628 Cb 0.48 -1.30 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 2w2g n ARG 628 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2w2g s ALA 629 N -2.50 3.12 0.13 7.54 0.00 -1.26 -4.89 121.76 123.90 2w2g s ALA 629 Ca -0.05 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 2w2g s ALA 629 Cb 0.05 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2w2g s ALA 629 CO 0.49 -1.21 1.80 -1.25 0.00 0.00 0.00 175.76 175.59 2w2g s PRO 630 N -2.57 4.14 -0.00 0.00 0.04 -1.26 -4.88 135.00 130.48 2w2g s PRO 630 Ca 0.64 2.58 0.01 0.00 0.04 0.00 0.00 61.00 64.26 2w2g s PRO 630 Cb -0.42 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2w2g s PRO 630 CO 0.53 -0.82 -0.02 0.00 0.04 0.00 0.00 177.00 176.74 2w2g s ALA 631 N 2.50 0.15 -0.26 8.56 0.00 -1.26 -0.21 121.76 131.23 2w2g s ALA 631 Ca 0.79 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 2w2g s ALA 631 Cb -0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2w2g s ALA 631 CO 0.35 0.03 0.34 0.08 0.00 0.00 0.00 175.76 176.56 2w2g s VAL 632 N 0.03 5.20 -0.21 0.00 1.01 -0.23 -4.64 120.40 121.55 2w2g s VAL 632 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 2w2g s VAL 632 Cb -0.01 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2w2g s VAL 632 CO -0.00 0.19 -0.07 -0.69 0.00 0.00 0.00 175.10 174.53 2w2g s VAL 633 N 1.91 3.15 -0.25 2.92 1.01 -0.18 -1.18 120.40 127.77 2w2g s VAL 633 Ca 0.14 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2w2g s VAL 633 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2w2g s VAL 633 CO 0.10 0.44 0.14 -0.55 0.00 0.00 0.00 175.10 175.23 2w2g s SER 634 N 1.43 5.72 0.38 3.32 0.15 0.26 -0.51 113.70 124.45 2w2g s SER 634 Ca 0.05 -0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.73 2w2g s SER 634 Cb -0.14 -2.04 -0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2w2g s SER 634 CO -0.05 -0.01 0.48 0.68 1.20 0.00 0.00 173.24 175.55 2w2g s VAL 635 N 1.47 3.41 0.00 4.45 -7.23 -0.33 -4.11 120.40 118.07 2w2g s VAL 635 Ca 0.06 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2w2g s VAL 635 Cb -0.15 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2w2g s VAL 635 CO 0.07 -0.08 0.50 -1.54 -0.31 0.00 0.00 175.10 173.74 2w2g n SER 636 N -1.69 0.00 -4.88 4.85 3.41 -1.26 -4.04 113.62 110.00 2w2g n SER 636 Ca 0.03 0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 58.94 2w2g n SER 636 Cb 0.59 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2w2g n SER 636 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2w2g s SER 637 N -2.47 5.37 0.59 4.04 1.04 -1.26 -4.70 113.70 116.31 2w2g s SER 637 Ca 0.00 -0.48 0.37 0.00 0.48 0.00 0.00 55.95 56.31 2w2g s SER 637 Cb 0.00 -0.93 1.79 0.00 0.10 0.00 0.00 66.02 66.98 2w2g s SER 637 CO 0.00 -0.43 2.15 -0.65 0.98 0.00 0.00 173.24 175.29 2w2g h PRO 638 N 1.13 0.00 0.00 4.02 0.11 -1.90 -2.01 132.00 133.35 2w2g h PRO 638 Ca -0.44 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 2w2g h PRO 638 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2w2g h PRO 638 CO 0.57 0.03 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.48 2w2g h ASP 639 N 0.00 0.00 1.60 -2.05 3.32 -1.99 -2.98 116.42 114.32 2w2g h ASP 639 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2w2g h ASP 639 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2w2g h ASP 639 CO 0.00 0.47 -0.22 0.00 -1.72 0.00 0.00 179.24 177.77 2w2g h ALA 640 N 1.53 0.88 0.09 3.45 0.00 -1.76 -3.34 119.26 120.11 2w2g h ALA 640 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2w2g h ALA 640 Cb 0.93 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2w2g h ALA 640 CO 0.06 0.28 -0.38 0.28 0.00 0.00 0.00 179.25 179.49 2w2g h VAL 641 N 0.00 0.22 -0.58 0.00 2.07 -1.51 0.19 116.25 116.64 2w2g h VAL 641 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2w2g h VAL 641 Cb 1.08 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2w2g h VAL 641 CO 0.03 0.00 0.12 0.71 0.02 0.00 0.00 177.57 178.45 2w2g h THR 642 N -0.59 1.25 0.11 2.57 1.35 -1.74 -0.71 112.91 115.16 2w2g h THR 642 Ca 0.03 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 64.98 2w2g h THR 642 Cb 0.63 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2w2g h THR 642 CO -0.24 0.34 -0.22 0.74 -0.25 0.00 0.00 175.52 175.89 2w2g h THR 643 N 0.84 0.50 -0.57 6.82 2.02 -1.64 -0.13 112.91 120.75 2w2g h THR 643 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 2w2g h THR 643 Cb 0.37 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2w2g h THR 643 CO 0.01 0.00 0.35 0.22 0.37 0.00 0.00 175.52 176.46 2w2g h TYR 644 N -0.41 0.65 -0.73 3.16 3.20 -0.50 -1.82 116.97 120.52 2w2g h TYR 644 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2w2g h TYR 644 Cb 0.44 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2w2g h TYR 644 CO -0.21 0.38 0.36 -0.91 -1.64 0.00 0.00 178.16 176.13 2w2g h ASN 645 N 0.69 0.94 -0.24 -2.11 2.35 -0.79 -0.63 115.58 115.78 2w2g h ASN 645 Ca 0.23 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2w2g h ASN 645 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2w2g h ASN 645 CO -0.10 0.79 0.06 1.23 -1.65 0.00 0.00 177.43 177.77 2w2g h GLY 646 N 1.09 0.28 1.75 2.83 0.00 -0.43 0.61 103.07 109.21 2w2g h GLY 646 Ca 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 2w2g h GLY 646 CO -0.03 0.01 -0.26 -0.97 0.00 0.00 0.00 176.54 175.29 2w2g h TYR 647 N 0.16 0.32 -0.06 5.60 0.05 -0.96 -2.21 116.97 119.88 2w2g h TYR 647 Ca 0.11 -0.06 -0.22 0.00 0.05 0.00 0.00 58.73 58.61 2w2g h TYR 647 Cb 0.09 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.76 2w2g h TYR 647 CO -0.14 0.53 -0.84 1.25 -1.05 0.00 0.00 178.16 177.91 2w2g h LEU 648 N 0.26 0.65 0.00 3.88 5.85 -0.61 -3.31 115.31 122.04 2w2g h LEU 648 Ca 0.04 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2w2g h LEU 648 Cb 0.60 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2w2g h LEU 648 CO 0.04 1.24 -0.22 0.00 -0.34 0.00 0.00 178.44 179.16 2w2g h THR 649 N 0.33 0.00 -3.19 1.05 1.03 -0.77 -3.48 112.91 107.89 2w2g h THR 649 Ca -0.06 -0.94 -0.34 0.00 -0.01 0.00 0.00 66.41 65.06 2w2g h THR 649 Cb 1.46 1.82 0.16 0.00 -1.07 0.00 0.00 68.15 70.52 2w2g h THR 649 CO 0.15 0.00 0.16 -1.20 -0.01 0.00 0.00 175.52 174.63 2w2g n SER 650 N -2.91 -1.40 -4.11 0.00 7.64 -0.84 -5.03 113.62 106.97 2w2g n SER 650 Ca 0.03 -1.15 -0.37 0.00 1.01 0.00 0.00 58.87 58.40 2w2g n SER 650 Cb 0.52 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.78 2w2g n SER 650 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2w2g s SER 651 N -4.26 5.28 0.00 6.43 1.04 -1.26 -5.06 113.70 115.87 2w2g s SER 651 Ca 0.60 -2.72 0.00 0.00 0.48 0.00 0.00 55.95 54.31 2w2g s SER 651 Cb -0.05 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.21 2w2g s SER 651 CO 0.45 -0.40 0.00 -1.20 0.98 0.00 0.00 173.24 173.07