#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 3.68 0.00 1.61 0.04 -1.26 -4.93 135.00 134.14 2kuf s PRO 492 Ca 0.00 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.24 2kuf s PRO 492 Cb 0.00 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 2kuf s PRO 492 CO 0.00 -0.70 0.79 0.00 0.04 0.00 0.00 177.00 177.14 2kuf n ALA 493 N -0.39 3.62 -2.93 8.56 0.00 -1.26 -4.81 120.51 123.30 2kuf n ALA 493 Ca 0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2kuf n ALA 493 Cb 0.46 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.20 2kuf n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kuf s THR 494 N -2.22 0.30 -0.00 0.00 -4.23 -1.26 -0.70 115.64 107.52 2kuf s THR 494 Ca 0.10 -0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2kuf s THR 494 Cb 0.13 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.56 2kuf s THR 494 CO 0.53 -0.44 0.04 -0.75 -0.54 0.00 0.00 174.62 173.46 2kuf s LYS 495 N -1.50 0.22 0.12 3.99 2.47 0.95 -4.69 119.74 121.29 2kuf s LYS 495 Ca -0.13 -0.23 -0.18 0.00 -1.56 0.00 0.00 55.97 53.87 2kuf s LYS 495 Cb -0.10 0.09 -0.07 0.00 -1.46 0.00 0.00 37.83 36.29 2kuf s LYS 495 CO -0.00 -0.04 0.59 -0.51 0.16 0.00 0.00 175.35 175.55 2kuf s ASP 496 N -0.71 7.01 -0.24 1.43 1.01 -1.26 -0.24 116.67 123.66 2kuf s ASP 496 Ca -0.08 1.24 -0.09 0.00 0.71 0.00 0.00 52.55 54.33 2kuf s ASP 496 Cb -0.05 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2kuf s ASP 496 CO -0.00 0.19 0.13 0.27 0.21 0.00 0.00 175.17 175.98 2kuf s ILE 497 N -1.26 5.06 0.77 0.77 -4.36 -0.62 -4.95 121.20 116.61 2kuf s ILE 497 Ca 0.33 0.08 -0.08 0.00 -0.26 0.00 0.00 60.65 60.72 2kuf s ILE 497 Cb -0.18 -3.36 0.10 0.00 1.25 0.00 0.00 42.46 40.27 2kuf s ILE 497 CO 0.20 0.34 1.09 -2.16 0.24 0.00 0.00 174.94 174.65 2kuf s PRO 498 N 1.20 1.82 -0.67 0.37 0.04 -1.26 -0.54 135.00 135.97 2kuf s PRO 498 Ca 0.06 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.52 2kuf s PRO 498 Cb -0.14 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.35 2kuf s PRO 498 CO 0.05 -1.52 1.04 0.16 0.04 0.00 0.00 177.00 176.77 2kuf s ASP 499 N -4.62 6.19 0.00 6.66 -4.77 -1.26 -4.78 116.67 114.09 2kuf s ASP 499 Ca 0.64 -0.79 0.25 0.00 -3.30 0.00 0.00 52.55 49.35 2kuf s ASP 499 Cb -0.09 -2.45 0.97 0.00 -1.09 0.00 0.00 42.92 40.25 2kuf s ASP 499 CO 0.47 -1.51 1.69 1.33 0.70 0.00 0.00 175.17 177.84 2kuf n VAL 500 N 6.06 0.08 -1.78 2.11 0.24 -1.26 -4.82 118.33 118.96 2kuf n VAL 500 Ca -0.02 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 2kuf n VAL 500 Cb 0.46 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.21 2kuf n VAL 500 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kuf s ALA 501 N -1.92 1.94 0.00 2.33 0.00 -1.26 -2.78 121.76 120.06 2kuf s ALA 501 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2kuf s ALA 501 Cb 0.20 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2kuf s ALA 501 CO 0.31 -4.11 0.00 0.41 0.00 0.00 0.00 175.76 172.37 2kuf n GLY 502 N 5.85 0.95 3.88 0.00 0.00 -1.21 -5.01 105.19 109.65 2kuf n GLY 502 Ca 0.29 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2kuf n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kuf n GLN 503 N 0.00 0.62 -1.71 1.61 0.00 -1.12 -4.94 117.38 111.84 2kuf n GLN 503 Ca 0.00 -3.21 -0.33 0.00 0.00 0.00 0.00 57.00 53.46 2kuf n GLN 503 Cb 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 30.24 30.21 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kuf s THR 504 N -2.64 3.33 0.19 -0.39 2.01 -1.26 -2.03 115.64 114.85 2kuf s THR 504 Ca 0.53 0.59 -0.09 0.00 0.31 0.00 0.00 61.69 63.03 2kuf s THR 504 Cb -0.04 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.46 2kuf s THR 504 CO 0.34 -0.41 1.70 1.62 -0.69 0.00 0.00 174.62 177.18 2kuf h VAL 505 N -0.10 1.26 -1.00 3.82 3.04 -0.71 0.26 116.25 122.82 2kuf h VAL 505 Ca -0.46 -0.98 0.03 0.00 -1.01 0.00 0.00 66.70 64.28 2kuf h VAL 505 Cb 1.24 0.58 -0.06 0.00 -2.01 0.00 0.00 31.29 31.05 2kuf h VAL 505 CO 0.54 0.37 0.65 -0.78 -1.01 0.00 0.00 177.57 177.35 2kuf h ASP 506 N 1.03 1.09 -0.04 3.17 1.82 -1.92 0.20 116.42 121.77 2kuf h ASP 506 Ca 0.21 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.68 2kuf h ASP 506 Cb 0.39 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.15 2kuf h ASP 506 CO 0.00 0.75 -0.61 0.58 -1.61 0.00 0.00 179.24 178.36 2kuf h VAL 507 N 1.27 1.39 -0.70 2.25 2.07 -1.81 -2.36 116.25 118.36 2kuf h VAL 507 Ca 0.39 -2.00 0.03 0.00 0.82 0.00 0.00 66.70 65.94 2kuf h VAL 507 Cb -0.01 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2kuf h VAL 507 CO -0.12 0.59 0.44 0.00 0.02 0.00 0.00 177.57 178.50 2kuf h ALA 508 N 0.39 0.91 -0.25 1.67 0.00 0.18 0.25 119.26 122.40 2kuf h ALA 508 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2kuf h ALA 508 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kuf h ALA 508 CO 0.12 0.22 0.06 1.96 0.00 0.00 0.00 179.25 181.61 2kuf h GLN 509 N 0.86 0.41 -0.46 0.00 4.20 -0.65 -0.96 115.11 118.52 2kuf h GLN 509 Ca 0.28 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2kuf h GLN 509 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2kuf h GLN 509 CO -0.10 0.51 -0.16 1.57 -0.67 0.00 0.00 178.83 179.98 2kuf h LYS 510 N 0.24 0.88 -0.17 1.46 2.10 -1.13 0.05 116.57 120.00 2kuf h LYS 510 Ca 0.08 -0.33 -0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2kuf h LYS 510 Cb 0.29 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2kuf h LYS 510 CO 0.00 0.97 0.09 -0.91 -2.00 0.00 0.00 179.45 177.60 2kuf h ASN 511 N 0.77 0.22 -0.32 7.07 2.35 -0.35 -1.35 115.58 123.98 2kuf h ASN 511 Ca 0.12 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2kuf h ASN 511 Cb 0.69 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2kuf h ASN 511 CO 0.05 0.26 -0.12 0.25 -1.65 0.00 0.00 177.43 176.22 2kuf h LEU 512 N 0.16 0.74 -1.47 1.61 7.12 -1.11 -2.47 115.31 119.90 2kuf h LEU 512 Ca 0.06 -0.22 0.02 0.00 0.13 0.00 0.00 57.88 57.87 2kuf h LEU 512 Cb 0.09 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.00 2kuf h LEU 512 CO -0.01 0.88 0.38 -1.13 -0.13 0.00 0.00 178.44 178.43 2kuf h ASN 513 N 0.68 0.61 -0.21 1.25 -0.00 -0.51 0.15 115.58 117.55 2kuf h ASN 513 Ca 0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.38 2kuf h ASN 513 Cb 0.59 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.74 2kuf h ASN 513 CO 0.04 0.43 0.07 0.58 -0.00 0.00 0.00 177.43 178.55 2kuf h VAL 514 N 0.72 1.13 -0.24 2.57 2.07 -0.76 0.29 116.25 122.02 2kuf h VAL 514 Ca 0.22 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2kuf h VAL 514 Cb 0.01 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2kuf h VAL 514 CO -0.05 0.16 0.00 -1.22 0.02 0.00 0.00 177.57 176.48 2kuf n TYR 515 N -4.39 0.30 0.11 1.57 4.01 -0.26 -4.74 117.16 113.76 2kuf n TYR 515 Ca 0.01 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2kuf n TYR 515 Cb 0.16 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N 1.06 -0.22 2.36 2.72 0.00 0.36 -5.00 105.19 106.47 2kuf n GLY 516 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2kuf n GLY 516 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kuf n PHE 517 N -3.40 -0.77 -1.18 1.61 3.72 0.96 -5.00 117.46 113.39 2kuf n PHE 517 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kuf n PHE 517 Cb 0.00 -3.52 0.00 0.00 -0.94 0.00 0.00 39.48 35.02 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.87 0.00 -4.46 4.37 -2.24 -1.26 -5.08 114.28 101.74 2kuf n THR 518 Ca -0.21 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 2kuf n THR 518 Cb 0.66 -1.72 -0.11 0.00 -2.10 0.00 0.00 70.33 67.06 2kuf n THR 518 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kuf s LYS 519 N -1.37 3.06 0.04 -0.78 1.02 -1.13 -5.02 119.74 115.56 2kuf s LYS 519 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.55 2kuf s LYS 519 Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 2kuf s LYS 519 CO 0.00 0.58 -0.12 -0.59 -0.92 0.00 0.00 175.35 174.31 2kuf s PHE 520 N -0.57 1.02 0.01 3.18 -0.12 -1.26 -0.32 117.98 119.91 2kuf s PHE 520 Ca 0.09 -0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 56.57 2kuf s PHE 520 Cb -0.12 -0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 41.66 2kuf s PHE 520 CO 0.02 0.01 -0.01 -1.12 -0.05 0.00 0.00 175.22 174.07 2kuf s SER 521 N -1.31 0.13 -0.07 1.98 0.01 0.12 -4.89 113.70 109.68 2kuf s SER 521 Ca -0.02 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2kuf s SER 521 Cb -0.08 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2kuf s SER 521 CO 0.01 -0.18 -0.21 0.00 0.41 0.00 0.00 173.24 173.27 2kuf s GLN 522 N -0.86 2.69 -0.11 12.44 -2.07 -1.26 -0.24 119.66 130.25 2kuf s GLN 522 Ca -0.09 -0.83 0.02 0.00 -1.82 0.00 0.00 55.36 52.64 2kuf s GLN 522 Cb -0.06 -2.28 0.01 0.00 -1.09 0.00 0.00 33.01 29.59 2kuf s GLN 522 CO -0.01 0.40 -0.19 0.00 -1.32 0.00 0.00 175.29 174.17 2kuf s ALA 523 N -0.18 1.91 -0.15 2.60 0.00 0.69 -4.94 121.76 121.69 2kuf s ALA 523 Ca -0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 2kuf s ALA 523 Cb -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2kuf s ALA 523 CO 0.04 0.04 0.66 -1.12 0.00 0.00 0.00 175.76 175.37 2kuf s SER 524 N 0.76 6.80 0.14 0.00 0.01 -1.26 -0.10 113.70 120.04 2kuf s SER 524 Ca -0.10 0.97 0.11 0.00 1.31 0.00 0.00 55.95 58.23 2kuf s SER 524 Cb -0.16 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2kuf s SER 524 CO 0.01 -0.22 -0.26 0.54 0.41 0.00 0.00 173.24 173.72 2kuf s VAL 525 N 1.52 2.24 0.18 3.43 0.11 0.79 -4.89 120.40 123.77 2kuf s VAL 525 Ca 0.32 -1.79 -0.30 0.00 -2.93 0.00 0.00 61.98 57.28 2kuf s VAL 525 Cb -0.16 -1.99 -0.08 0.00 -1.53 0.00 0.00 36.38 32.62 2kuf s VAL 525 CO 0.13 0.05 1.11 -1.81 -3.33 0.00 0.00 175.10 171.24 2kuf s ASP 526 N -2.15 7.25 0.25 3.54 1.01 -1.26 -0.48 116.67 124.82 2kuf s ASP 526 Ca 0.15 2.10 -0.14 0.00 0.71 0.00 0.00 52.55 55.36 2kuf s ASP 526 Cb -0.10 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.23 2kuf s ASP 526 CO 0.06 -0.24 0.51 -0.44 0.21 0.00 0.00 175.17 175.28 2kuf s SER 527 N -0.06 -0.12 0.29 0.27 0.01 0.46 -4.80 113.70 109.74 2kuf s SER 527 Ca 0.50 -0.86 0.24 0.00 1.31 0.00 0.00 55.95 57.14 2kuf s SER 527 Cb -0.30 0.60 0.46 0.00 0.21 0.00 0.00 66.02 67.00 2kuf s SER 527 CO 0.35 -1.16 1.56 -0.65 0.41 0.00 0.00 173.24 173.75 2kuf h PRO 528 N 2.22 0.00 -6.90 12.44 0.11 -1.82 -3.27 132.00 134.79 2kuf h PRO 528 Ca -0.25 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.37 2kuf h PRO 528 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2kuf h PRO 528 CO 0.34 0.00 0.42 1.03 -0.21 0.00 0.00 178.00 179.58 2kuf s ARG 529 N -3.19 4.38 0.45 1.05 0.52 -1.26 -4.73 118.95 116.17 2kuf s ARG 529 Ca 0.07 1.59 -0.25 0.00 -0.52 0.00 0.00 55.73 56.62 2kuf s ARG 529 Cb 0.09 -2.80 -0.09 0.00 0.52 0.00 0.00 34.95 32.67 2kuf s ARG 529 CO 0.67 0.03 1.32 -2.30 0.02 0.00 0.00 175.30 175.04 2kuf n PRO 530 N 0.45 1.98 -1.54 3.54 -0.02 -1.26 -1.35 135.00 136.80 2kuf n PRO 530 Ca 0.02 0.71 -0.45 0.00 -2.02 0.00 0.00 63.50 61.76 2kuf n PRO 530 Cb 0.48 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf n ALA 531 N -0.33 1.44 0.00 3.55 0.00 -1.19 -2.41 120.51 121.57 2kuf n ALA 531 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kuf n ALA 531 Cb 0.41 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.05 2kuf n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 532 N 6.08 0.98 3.80 0.00 0.00 -0.89 -4.98 105.19 110.19 2kuf n GLY 532 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 2kuf n GLY 532 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kuf s GLU 533 N 0.00 4.40 -0.33 1.61 2.12 -1.01 -0.05 118.70 125.43 2kuf s GLU 533 Ca 0.00 1.08 -0.20 0.00 0.36 0.00 0.00 54.97 56.22 2kuf s GLU 533 Cb 0.00 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 2kuf s GLU 533 CO 0.00 0.32 0.60 0.54 -0.54 0.00 0.00 175.26 176.17 2kuf s VAL 534 N -1.61 4.94 0.33 3.70 0.11 -0.86 0.48 120.40 127.49 2kuf s VAL 534 Ca 0.47 0.62 0.10 0.00 -2.93 0.00 0.00 61.98 60.24 2kuf s VAL 534 Cb -0.17 -4.01 0.05 0.00 -1.53 0.00 0.00 36.38 30.72 2kuf s VAL 534 CO 0.22 -0.22 1.75 0.74 -3.33 0.00 0.00 175.10 174.26 2kuf h THR 535 N 5.61 1.31 0.00 5.04 2.02 -1.29 -3.19 112.91 122.41 2kuf h THR 535 Ca -0.27 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2kuf h THR 535 Cb 1.12 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2kuf h THR 535 CO 0.80 0.44 0.00 0.61 0.37 0.00 0.00 175.52 177.74 2kuf n GLY 536 N -0.25 -0.43 3.50 2.16 0.00 -1.22 -4.68 105.19 104.27 2kuf n GLY 536 Ca -0.02 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 2kuf n GLY 536 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kuf s THR 537 N -2.87 2.77 0.04 2.61 -4.23 -1.26 -0.31 115.64 112.39 2kuf s THR 537 Ca 0.00 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.37 2kuf s THR 537 Cb 0.00 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.31 2kuf s THR 537 CO 0.00 -0.14 1.51 -1.13 -0.54 0.00 0.00 174.62 174.32 2kuf h ASN 538 N 2.97 -0.15 -3.46 3.99 -1.24 -1.44 -3.40 115.58 112.85 2kuf h ASN 538 Ca -0.46 -0.15 -0.52 0.00 0.71 0.00 0.00 56.30 55.87 2kuf h ASN 538 Cb 1.21 0.04 0.01 0.00 0.73 0.00 0.00 38.32 40.31 2kuf h ASN 538 CO 0.52 0.07 0.52 -2.16 -1.29 0.00 0.00 177.43 175.09 2kuf s PRO 539 N -5.39 4.52 0.71 6.67 0.04 -1.26 -5.01 135.00 135.28 2kuf s PRO 539 Ca -0.14 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 2kuf s PRO 539 Cb 0.04 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2kuf s PRO 539 CO 0.64 -0.06 1.18 -1.25 0.04 0.00 0.00 177.00 177.55 2kuf s PRO 540 N -0.02 2.31 0.36 0.56 0.04 -1.26 -4.95 135.00 132.04 2kuf s PRO 540 Ca 0.53 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 2kuf s PRO 540 Cb -0.31 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2kuf s PRO 540 CO 0.34 -1.68 1.45 0.00 0.04 0.00 0.00 177.00 177.15 2kuf s ALA 541 N -2.09 3.56 0.00 8.56 0.00 -1.26 -2.30 121.76 128.23 2kuf s ALA 541 Ca 0.72 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2kuf s ALA 541 Cb -0.27 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2kuf s ALA 541 CO 0.44 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2kuf n GLY 542 N 0.57 0.48 3.73 0.00 0.00 0.30 -4.98 105.19 105.30 2kuf n GLY 542 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 543 N -2.18 4.66 -0.11 2.61 2.01 -0.97 -4.82 115.64 116.85 2kuf s THR 543 Ca 0.00 1.84 -0.15 0.00 0.31 0.00 0.00 61.69 63.69 2kuf s THR 543 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2kuf s THR 543 CO 0.00 0.32 0.36 0.28 -0.69 0.00 0.00 174.62 174.89 2kuf s THR 544 N 0.10 5.23 0.18 -0.82 -1.32 -1.26 -1.58 115.64 116.16 2kuf s THR 544 Ca 0.43 0.70 0.10 0.00 -1.21 0.00 0.00 61.69 61.70 2kuf s THR 544 Cb -0.22 -3.68 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 2kuf s THR 544 CO 0.26 0.43 -0.20 0.68 -2.21 0.00 0.00 174.62 173.58 2kuf s VAL 545 N 0.09 2.02 0.32 5.08 -7.23 0.66 -4.90 120.40 116.45 2kuf s VAL 545 Ca 0.20 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 2kuf s VAL 545 Cb -0.14 -1.96 -0.11 0.00 0.56 0.00 0.00 36.38 34.73 2kuf s VAL 545 CO 0.08 -0.26 1.57 -2.16 -0.31 0.00 0.00 175.10 174.02 2kuf s PRO 546 N -2.80 4.11 0.57 4.82 0.04 -1.26 -0.04 135.00 140.44 2kuf s PRO 546 Ca 0.18 2.59 0.34 0.00 0.04 0.00 0.00 61.00 64.15 2kuf s PRO 546 Cb -0.06 -3.00 1.62 0.00 0.04 0.00 0.00 34.50 33.10 2kuf s PRO 546 CO 0.08 -0.61 2.09 -0.24 0.04 0.00 0.00 177.00 178.36 2kuf h VAL 547 N 3.27 0.17 -0.20 -0.36 3.04 -1.19 -1.88 116.25 119.10 2kuf h VAL 547 Ca -0.48 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2kuf h VAL 547 Cb 1.23 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 2kuf h VAL 547 CO 0.75 0.04 0.00 -0.67 -1.01 0.00 0.00 177.57 176.69 2kuf n ASP 548 N -3.23 2.25 -3.11 3.17 2.03 -1.26 -4.58 116.55 111.81 2kuf n ASP 548 Ca -0.01 -1.79 -0.12 0.00 0.52 0.00 0.00 54.79 53.39 2kuf n ASP 548 Cb 0.24 -0.12 0.07 0.00 -0.72 0.00 0.00 41.12 40.59 2kuf n ASP 548 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kuf n SER 549 N 0.71 0.42 -4.48 1.67 7.64 -0.71 -4.82 113.62 114.06 2kuf n SER 549 Ca 0.17 -1.43 -0.33 0.00 1.01 0.00 0.00 58.87 58.30 2kuf n SER 549 Cb 0.43 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.12 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kuf s VAL 550 N -1.77 3.17 -0.13 0.44 0.11 -1.26 -2.85 120.40 118.11 2kuf s VAL 550 Ca 0.34 -0.67 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 2kuf s VAL 550 Cb -0.01 -2.27 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 2kuf s VAL 550 CO 0.23 0.58 0.08 -0.63 -3.33 0.00 0.00 175.10 172.03 2kuf s ILE 551 N -0.56 4.98 -0.30 7.04 1.01 0.56 -4.96 121.20 128.98 2kuf s ILE 551 Ca 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2kuf s ILE 551 Cb -0.12 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2kuf s ILE 551 CO 0.01 0.57 0.17 -0.70 0.00 0.00 0.00 174.94 175.00 2kuf s GLU 552 N -0.62 3.59 -0.16 2.79 2.56 -1.26 -0.70 118.70 124.90 2kuf s GLU 552 Ca 0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 54.97 54.49 2kuf s GLU 552 Cb -0.12 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.38 2kuf s GLU 552 CO 0.02 -0.32 -0.03 -0.51 -0.56 0.00 0.00 175.26 173.87 2kuf s LEU 553 N 1.68 3.31 -0.27 2.70 1.02 0.67 -1.00 118.68 126.79 2kuf s LEU 553 Ca 0.06 -0.10 -0.20 0.00 0.02 0.00 0.00 54.13 53.91 2kuf s LEU 553 Cb -0.17 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 2kuf s LEU 553 CO 0.08 0.17 0.59 -1.10 0.02 0.00 0.00 176.35 176.11 2kuf s GLN 554 N 0.36 4.05 -0.14 1.70 1.11 0.58 -0.22 119.66 127.10 2kuf s GLN 554 Ca -0.03 0.42 -0.17 0.00 0.01 0.00 0.00 55.36 55.58 2kuf s GLN 554 Cb -0.14 -3.67 -0.04 0.00 -1.01 0.00 0.00 33.01 28.15 2kuf s GLN 554 CO 0.03 -0.43 0.43 0.08 0.01 0.00 0.00 175.29 175.41 2kuf s VAL 555 N 2.47 5.22 -0.23 1.09 1.01 0.85 -0.79 120.40 130.01 2kuf s VAL 555 Ca 0.24 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 2kuf s VAL 555 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2kuf s VAL 555 CO 0.09 0.33 1.27 -0.44 0.00 0.00 0.00 175.10 176.36 2kuf s SER 556 N 0.63 6.82 -0.25 3.32 0.01 0.18 -0.15 113.70 124.26 2kuf s SER 556 Ca 0.23 1.46 -0.06 0.00 1.31 0.00 0.00 55.95 58.89 2kuf s SER 556 Cb -0.15 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 2kuf s SER 556 CO 0.09 -0.90 0.03 -1.59 0.41 0.00 0.00 173.24 171.27 2kuf s LYS 557 N 3.80 3.38 0.61 12.44 -2.85 0.37 -2.10 119.74 135.39 2kuf s LYS 557 Ca 0.55 -0.64 0.32 0.00 -1.00 0.00 0.00 55.97 55.19 2kuf s LYS 557 Cb -0.19 -3.22 1.78 0.00 -2.06 0.00 0.00 37.83 34.15 2kuf s LYS 557 CO 0.18 -0.27 2.12 0.78 0.10 0.00 0.00 175.35 178.26 2kuf h GLY 558 N 8.19 0.00 0.00 0.59 0.00 -1.26 0.13 103.07 110.72 2kuf h GLY 558 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2kuf h GLY 558 CO 0.59 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.12 2kuf n ASN 559 N -3.55 0.00 -4.59 0.19 2.85 -1.26 -4.64 115.26 104.26 2kuf n ASN 559 Ca 0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.18 2kuf n ASN 559 Cb 0.29 -0.23 -0.10 0.00 1.24 0.00 0.00 39.78 40.99 2kuf n ASN 559 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kuf s GLN 560 N -0.07 2.16 0.10 1.20 -0.21 -1.26 -0.28 119.66 121.30 2kuf s GLN 560 Ca 0.00 -1.02 0.04 0.00 0.02 0.00 0.00 55.36 54.40 2kuf s GLN 560 Cb 0.00 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 2kuf s GLN 560 CO 0.00 0.51 -0.10 -0.59 -2.12 0.00 0.00 175.29 172.99 2kuf s PHE 561 N -1.25 1.07 -0.08 0.91 -0.71 -0.03 -4.90 117.98 112.99 2kuf s PHE 561 Ca 0.22 -0.70 -0.30 0.00 -1.04 0.00 0.00 56.93 55.12 2kuf s PHE 561 Cb -0.11 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 2kuf s PHE 561 CO 0.14 -0.00 1.31 0.08 -1.34 0.00 0.00 175.22 175.41 2kuf s VAL 562 N -2.70 4.07 0.01 -2.49 1.01 -1.26 -0.23 120.40 118.81 2kuf s VAL 562 Ca 0.08 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 2kuf s VAL 562 Cb -0.01 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2kuf s VAL 562 CO -0.00 -0.06 1.24 -0.32 0.00 0.00 0.00 175.10 175.96 2kuf s MET 563 N 2.89 4.37 1.17 2.72 1.75 0.27 -4.90 119.30 127.58 2kuf s MET 563 Ca 0.59 1.77 -0.13 0.00 -1.25 0.00 0.00 55.69 56.67 2kuf s MET 563 Cb -0.26 -3.46 0.28 0.00 2.84 0.00 0.00 34.83 34.23 2kuf s MET 563 CO 0.21 -0.39 1.03 -2.14 -0.65 0.00 0.00 175.02 173.08 2kuf s PRO 564 N 1.73 -0.93 0.14 4.11 0.02 -1.26 -1.42 135.00 137.38 2kuf s PRO 564 Ca 0.59 0.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.09 2kuf s PRO 564 Cb -0.28 -1.55 -0.09 0.00 0.02 0.00 0.00 34.50 32.59 2kuf s PRO 564 CO 0.26 -3.72 1.52 -0.51 -0.33 0.00 0.00 177.00 174.22 2kuf s ASP 565 N -2.58 6.66 0.00 2.53 1.11 -1.26 -4.65 116.67 118.49 2kuf s ASP 565 Ca 0.68 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.92 2kuf s ASP 565 Cb -0.25 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.16 2kuf s ASP 565 CO 0.64 -0.78 0.40 0.00 1.18 0.00 0.00 175.17 176.62 2kuf n LEU 566 N 4.13 0.00 -4.76 1.23 -0.00 -1.26 -5.04 117.00 111.31 2kuf n LEU 566 Ca 0.13 -0.61 -0.39 0.00 -0.00 0.00 0.00 56.01 55.14 2kuf n LEU 566 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 2kuf n LEU 566 CO 0.61 0.49 0.65 -0.44 -0.00 0.00 0.00 177.39 178.69 2kuf s SER 567 N -0.16 7.58 -1.47 1.45 0.01 -1.26 -4.19 113.70 115.66 2kuf s SER 567 Ca 0.00 1.93 -0.10 0.00 1.31 0.00 0.00 55.95 59.09 2kuf s SER 567 Cb 0.00 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.69 2kuf s SER 567 CO 0.00 0.11 0.89 0.61 0.41 0.00 0.00 173.24 175.26 2kuf n GLY 568 N 1.30 -0.43 3.48 3.44 0.00 -1.26 -4.97 105.19 106.75 2kuf n GLY 568 Ca -0.01 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2kuf n GLY 568 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kuf n MET 569 N -4.57 0.64 -2.88 1.61 0.00 -1.26 -4.68 117.12 105.97 2kuf n MET 569 Ca -0.06 -3.57 -0.20 0.00 0.00 0.00 0.00 57.70 53.87 2kuf n MET 569 Cb 0.57 1.61 0.02 0.00 0.00 0.00 0.00 33.22 35.42 2kuf n MET 569 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kuf s PHE 570 N -3.02 2.90 0.46 3.17 0.08 -1.26 -1.16 117.98 119.15 2kuf s PHE 570 Ca 0.14 -0.14 0.20 0.00 0.12 0.00 0.00 56.93 57.25 2kuf s PHE 570 Cb 0.01 -2.51 1.23 0.00 -0.57 0.00 0.00 43.02 41.18 2kuf s PHE 570 CO 0.10 -0.58 2.05 2.35 -0.10 0.00 0.00 175.22 179.04 2kuf h TRP 571 N 0.38 0.00 0.00 0.36 2.91 -1.93 0.10 115.95 117.77 2kuf h TRP 571 Ca -0.42 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.60 2kuf h TRP 571 Cb 1.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 2kuf h TRP 571 CO 0.39 0.14 0.00 1.55 -1.03 0.00 0.00 178.44 179.49 2kuf n VAL 572 N -4.10 0.47 -0.12 2.65 3.14 -1.26 -0.88 118.33 118.22 2kuf n VAL 572 Ca -0.02 0.12 -0.19 0.00 -2.96 0.00 0.00 64.34 61.28 2kuf n VAL 572 Cb 0.22 -0.74 -0.11 0.00 -1.06 0.00 0.00 33.84 32.15 2kuf n VAL 572 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kuf n ASP 573 N -1.48 2.04 -0.18 6.55 8.00 -0.22 -4.47 116.55 126.80 2kuf n ASP 573 Ca 0.06 -0.04 -0.02 0.00 0.71 0.00 0.00 54.79 55.49 2kuf n ASP 573 Cb 0.25 -0.47 0.07 0.00 -0.02 0.00 0.00 41.12 40.96 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kuf h ALA 574 N -0.19 0.69 0.30 2.24 0.00 -0.51 -1.35 119.26 120.44 2kuf h ALA 574 Ca -0.57 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kuf h ALA 574 Cb 1.80 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2kuf h ALA 574 CO -0.15 -0.15 -0.45 1.49 0.00 0.00 0.00 179.25 179.98 2kuf h GLU 575 N 0.43 -0.78 -0.76 0.00 4.22 -1.25 -0.81 114.58 115.63 2kuf h GLU 575 Ca 0.26 0.05 0.19 0.00 0.08 0.00 0.00 59.36 59.94 2kuf h GLU 575 Cb 0.25 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2kuf h GLU 575 CO -0.23 -0.52 0.52 -1.35 -2.18 0.00 0.00 179.01 175.25 2kuf h PRO 576 N -0.81 0.20 -0.55 0.92 0.11 -1.73 -1.63 132.00 128.50 2kuf h PRO 576 Ca -0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2kuf h PRO 576 Cb 0.76 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 2kuf h PRO 576 CO -0.15 0.13 0.25 0.00 -0.21 0.00 0.00 178.00 178.02 2kuf h ARG 577 N 0.20 0.78 -0.12 1.05 2.47 0.00 0.84 114.38 119.61 2kuf h ARG 577 Ca 0.37 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2kuf h ARG 577 Cb 1.16 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2kuf h ARG 577 CO -0.07 0.62 0.06 -0.07 0.56 0.00 0.00 179.97 181.06 2kuf h LEU 578 N 0.78 0.16 -0.55 3.04 4.07 -0.70 0.28 115.31 122.39 2kuf h LEU 578 Ca 0.19 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 2kuf h LEU 578 Cb 0.11 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2kuf h LEU 578 CO -0.02 0.25 0.01 0.08 -1.08 0.00 0.00 178.44 177.68 2kuf h ARG 579 N 0.06 0.96 -0.34 1.13 0.11 -1.58 0.07 114.38 114.79 2kuf h ARG 579 Ca 0.04 -0.30 -0.17 0.00 0.10 0.00 0.00 59.98 59.65 2kuf h ARG 579 Cb 0.14 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 2kuf h ARG 579 CO -0.00 0.96 -0.44 0.00 0.10 0.00 0.00 179.97 180.58 2kuf h ALA 580 N 0.96 0.56 -0.00 0.08 0.00 -0.60 -3.05 119.26 117.21 2kuf h ALA 580 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kuf h ALA 580 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kuf h ALA 580 CO 0.03 0.68 -0.23 1.47 0.00 0.00 0.00 179.25 181.20 2kuf n LEU 581 N -4.04 0.30 -1.87 0.00 -0.00 0.95 -4.92 117.00 107.41 2kuf n LEU 581 Ca -0.03 0.20 -0.07 0.00 -0.00 0.00 0.00 56.01 56.11 2kuf n LEU 581 Cb 0.57 -0.34 0.03 0.00 -0.00 0.00 0.00 43.42 43.69 2kuf n LEU 581 CO 0.49 0.07 0.05 0.61 -0.00 0.00 0.00 177.39 178.61 2kuf n GLY 582 N 1.46 0.18 3.74 1.47 0.00 -0.81 -5.00 105.19 106.23 2kuf n GLY 582 Ca 0.08 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -3.13 3.68 -0.06 1.61 -0.00 -0.05 -4.97 118.94 116.01 2kuf s TRP 583 Ca 0.04 1.36 -0.09 0.00 -0.00 0.00 0.00 56.10 57.41 2kuf s TRP 583 Cb -0.02 -2.78 -0.29 0.00 -0.00 0.00 0.00 33.47 30.39 2kuf s TRP 583 CO 0.27 0.24 0.60 1.79 -0.00 0.00 0.00 176.95 179.85 2kuf h THR 584 N 4.30 0.86 -1.20 5.86 1.35 -1.83 -3.46 112.91 118.79 2kuf h THR 584 Ca -0.43 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 2kuf h THR 584 Cb 1.20 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 2kuf h THR 584 CO 0.72 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 177.46 2kuf n GLY 585 N 1.88 -0.87 3.36 5.82 0.00 -0.64 -5.05 105.19 109.67 2kuf n GLY 585 Ca -0.26 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 2kuf n GLY 585 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kuf s MET 586 N -0.65 1.33 -0.43 1.61 -1.94 -1.26 -5.04 119.30 112.92 2kuf s MET 586 Ca 0.00 -1.38 -0.28 0.00 -1.71 0.00 0.00 55.69 52.33 2kuf s MET 586 Cb 0.00 -1.58 0.02 0.00 2.01 0.00 0.00 34.83 35.28 2kuf s MET 586 CO 0.00 0.35 1.04 -1.17 -0.01 0.00 0.00 175.02 175.23 2kuf s LEU 587 N -2.39 3.83 -0.46 -0.03 0.20 -1.26 -4.46 118.68 114.10 2kuf s LEU 587 Ca 0.15 0.48 -0.18 0.00 0.69 0.00 0.00 54.13 55.27 2kuf s LEU 587 Cb -0.08 -3.41 0.04 0.00 -0.43 0.00 0.00 46.19 42.30 2kuf s LEU 587 CO 0.07 -1.09 0.53 -0.62 -0.29 0.00 0.00 176.35 174.96 2kuf s ASP 588 N 2.20 6.22 -0.13 3.68 2.15 -1.00 -5.02 116.67 124.77 2kuf s ASP 588 Ca 0.43 -0.77 -0.12 0.00 0.43 0.00 0.00 52.55 52.53 2kuf s ASP 588 Cb -0.09 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.22 2kuf s ASP 588 CO 0.26 -0.73 0.25 -1.59 -0.17 0.00 0.00 175.17 173.19 2kuf s LYS 589 N 2.38 4.02 -0.01 4.34 0.00 -1.26 -1.07 119.74 128.14 2kuf s LYS 589 Ca 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 55.97 56.16 2kuf s LYS 589 Cb -0.18 -3.34 -0.00 0.00 0.00 0.00 0.00 37.83 34.31 2kuf s LYS 589 CO 0.13 0.43 -0.00 0.78 0.00 0.00 0.00 175.35 176.69 2kuf h GLY 590 N 6.02 0.00 -4.87 0.59 0.00 -0.77 -3.47 103.07 100.57 2kuf h GLY 590 Ca -0.46 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.63 2kuf h GLY 590 CO 0.70 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 176.51 2kuf s ALA 591 N -2.97 0.43 -0.16 3.60 0.00 -1.26 -5.05 121.76 116.34 2kuf s ALA 591 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kuf s ALA 591 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 2kuf s ALA 591 CO 0.00 -0.05 -0.14 0.16 0.00 0.00 0.00 175.76 175.73 2kuf s ASP 592 N -1.45 3.75 0.14 0.00 -4.77 -1.26 -2.88 116.67 110.20 2kuf s ASP 592 Ca -0.11 -0.46 0.05 0.00 -3.30 0.00 0.00 52.55 48.73 2kuf s ASP 592 Cb -0.09 -1.59 -0.04 0.00 -1.09 0.00 0.00 42.92 40.11 2kuf s ASP 592 CO -0.00 0.07 0.09 -0.69 0.70 0.00 0.00 175.17 175.34 2kuf s VAL 593 N 0.90 4.33 0.00 2.11 1.01 -0.79 -4.86 120.40 123.10 2kuf s VAL 593 Ca -0.03 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 2kuf s VAL 593 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2kuf s VAL 593 CO -0.01 -0.04 1.31 1.51 0.00 0.00 0.00 175.10 177.87 2kuf s ASP 594 N -2.87 6.94 0.00 3.32 1.47 -1.26 0.83 116.67 125.09 2kuf s ASP 594 Ca 0.30 2.03 0.00 0.00 1.18 0.00 0.00 52.55 56.05 2kuf s ASP 594 Cb -0.10 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 2kuf s ASP 594 CO 0.22 -0.64 0.00 0.00 0.68 0.00 0.00 175.17 175.43 2kuf n ALA 595 N 5.02 2.83 0.00 2.11 0.00 -1.26 -4.72 120.51 124.49 2kuf n ALA 595 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kuf n ALA 595 Cb 0.45 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2kuf n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 596 N 2.01 1.72 0.30 0.00 0.00 -0.01 -4.57 105.19 104.65 2kuf n GLY 596 Ca 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2kuf n GLY 596 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kuf h GLY 597 N 0.00 0.54 2.00 -0.02 0.00 -1.91 -0.63 103.07 103.05 2kuf h GLY 597 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2kuf h GLY 597 CO 0.00 0.21 -0.20 1.76 0.00 0.00 0.00 176.54 178.31 2kuf h SER 598 N 0.51 0.00 0.05 0.19 0.02 -1.91 -1.74 113.55 110.67 2kuf h SER 598 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2kuf h SER 598 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kuf h SER 598 CO -0.02 0.20 -0.10 0.00 -1.14 0.00 0.00 176.83 175.77 2kuf n GLN 599 N -3.42 1.52 -2.18 3.45 1.13 -0.28 -4.97 117.38 112.63 2kuf n GLN 599 Ca -0.00 -0.98 -0.03 0.00 -1.94 0.00 0.00 57.00 54.05 2kuf n GLN 599 Cb 0.39 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.27 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kuf n HIS 600 N 0.11 -1.83 -2.55 1.08 8.25 -0.65 -4.92 115.22 114.71 2kuf n HIS 600 Ca 0.16 0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 57.96 2kuf n HIS 600 Cb 0.39 -2.82 -0.03 0.00 1.12 0.00 0.00 29.99 28.66 2kuf n HIS 600 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kuf s ASN 601 N -1.65 6.49 0.79 0.41 4.22 -1.18 -4.99 114.94 119.03 2kuf s ASN 601 Ca 0.11 -1.50 -0.11 0.00 -2.14 0.00 0.00 52.86 49.22 2kuf s ASN 601 Cb -0.03 -2.57 0.09 0.00 1.28 0.00 0.00 41.25 40.02 2kuf s ASN 601 CO 0.39 -1.52 1.14 -0.13 -2.04 0.00 0.00 177.10 174.95 2kuf s ARG 602 N 4.97 1.90 0.14 3.55 0.52 -1.26 -4.42 118.95 124.35 2kuf s ARG 602 Ca 0.47 -0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 2kuf s ARG 602 Cb 0.00 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.38 2kuf s ARG 602 CO -0.09 -1.57 1.32 0.08 0.02 0.00 0.00 175.30 175.07 2kuf s VAL 603 N -3.50 3.40 -0.16 3.52 1.01 -0.31 -1.07 120.40 123.29 2kuf s VAL 603 Ca 0.63 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 2kuf s VAL 603 Cb -0.10 -3.68 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 2kuf s VAL 603 CO 0.48 0.11 0.25 0.52 0.00 0.00 0.00 175.10 176.46 2kuf n VAL 604 N 3.40 1.67 -3.71 2.92 0.31 -0.08 -4.37 118.33 118.47 2kuf n VAL 604 Ca 0.09 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.86 2kuf n VAL 604 Cb 0.43 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2kuf s TYR 605 N -2.49 -0.52 -0.02 3.52 5.04 -0.88 -5.02 117.35 116.99 2kuf s TYR 605 Ca -0.26 1.26 0.05 0.00 -2.44 0.00 0.00 57.07 55.68 2kuf s TYR 605 Cb 0.07 0.18 -0.01 0.00 0.35 0.00 0.00 41.96 42.54 2kuf s TYR 605 CO 0.69 -0.25 -0.16 1.14 -1.34 0.00 0.00 175.55 175.63 2kuf s GLN 606 N 0.24 1.35 0.05 4.97 -2.07 -1.26 -0.21 119.66 122.73 2kuf s GLN 606 Ca -0.00 -0.58 -0.28 0.00 -1.82 0.00 0.00 55.36 52.68 2kuf s GLN 606 Cb -0.03 -1.29 -0.15 0.00 -1.09 0.00 0.00 33.01 30.45 2kuf s GLN 606 CO 0.01 0.33 1.43 -0.97 -1.32 0.00 0.00 175.29 174.77 2kuf h ASN 607 N 5.80 -0.91 -3.71 12.60 -0.73 -0.76 -3.39 115.58 124.48 2kuf h ASN 607 Ca -0.36 0.04 -0.63 0.00 1.87 0.00 0.00 56.30 57.23 2kuf h ASN 607 Cb 1.16 0.25 -0.14 0.00 0.27 0.00 0.00 38.32 39.85 2kuf h ASN 607 CO 0.48 -0.60 -0.24 -2.16 -0.37 0.00 0.00 177.43 174.54 2kuf s PRO 608 N -5.23 4.03 0.69 6.67 0.05 -1.26 -5.05 135.00 134.89 2kuf s PRO 608 Ca -0.15 0.04 -0.13 0.00 0.05 0.00 0.00 61.00 60.81 2kuf s PRO 608 Cb 0.02 -3.65 0.02 0.00 0.05 0.00 0.00 34.50 30.94 2kuf s PRO 608 CO 0.45 -0.25 1.10 -2.14 0.05 0.00 0.00 177.00 176.21 2kuf s PRO 609 N 2.00 2.67 0.30 0.56 0.02 -1.26 -4.97 135.00 134.32 2kuf s PRO 609 Ca 0.15 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 2kuf s PRO 609 Cb -0.16 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 2kuf s PRO 609 CO 0.10 -1.34 1.32 0.00 -0.33 0.00 0.00 177.00 176.74 2kuf s ALA 610 N -2.56 3.51 0.00 -1.55 0.00 -1.26 -2.09 121.76 117.81 2kuf s ALA 610 Ca 0.64 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2kuf s ALA 610 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kuf s ALA 610 CO 0.46 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2kuf n GLY 611 N 1.20 0.51 3.70 0.00 0.00 -0.51 -4.99 105.19 105.11 2kuf n GLY 611 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 612 N -2.20 3.92 0.21 2.61 2.01 -0.89 -4.85 115.64 116.45 2kuf s THR 612 Ca 0.00 -1.39 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 2kuf s THR 612 Cb 0.00 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 2kuf s THR 612 CO 0.00 -0.15 0.99 -0.83 -0.69 0.00 0.00 174.62 173.94 2kuf s GLY 613 N -3.10 3.05 0.02 4.40 0.00 -1.26 -0.56 107.32 109.87 2kuf s GLY 613 Ca 0.29 0.69 0.05 0.00 0.00 0.00 0.00 44.72 45.75 2kuf s GLY 613 CO 0.20 1.35 -0.16 -1.34 0.00 0.00 0.00 173.10 173.15 2kuf s VAL 614 N -0.84 1.29 1.07 1.40 -7.23 0.68 -4.86 120.40 111.91 2kuf s VAL 614 Ca 0.44 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 2kuf s VAL 614 Cb -0.27 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 35.56 2kuf s VAL 614 CO 0.34 0.20 -0.41 -0.46 -0.31 0.00 0.00 175.10 174.46 2kuf n ASN 615 N 2.23 -2.70 0.22 4.85 6.94 -1.26 -0.85 115.26 124.69 2kuf n ASN 615 Ca -0.16 -0.03 0.17 0.00 -0.02 0.00 0.00 54.58 54.53 2kuf n ASN 615 Cb 0.54 -0.85 0.84 0.00 -2.36 0.00 0.00 39.78 37.95 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 2kuf h ARG 616 N -1.69 0.00 -0.00 -3.83 0.11 -1.02 0.40 114.38 108.35 2kuf h ARG 616 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kuf h ARG 616 Cb 1.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.44 2kuf h ARG 616 CO 0.33 0.00 -0.21 -0.25 0.10 0.00 0.00 179.97 179.94 2kuf n ASP 617 N -3.80 0.32 -0.64 0.08 8.00 -1.26 -4.67 116.55 114.58 2kuf n ASP 617 Ca 0.01 -0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.35 2kuf n ASP 617 Cb 0.30 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kuf n GLY 618 N 1.44 0.93 3.66 0.44 0.00 0.14 -1.63 105.19 110.17 2kuf n GLY 618 Ca 0.08 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2kuf n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kuf s ILE 619 N -2.02 3.86 -0.09 -0.61 -1.16 -1.26 -4.90 121.20 115.02 2kuf s ILE 619 Ca 0.00 1.03 0.02 0.00 -0.51 0.00 0.00 60.65 61.19 2kuf s ILE 619 Cb 0.00 -3.69 0.01 0.00 0.61 0.00 0.00 42.46 39.39 2kuf s ILE 619 CO 0.00 -0.12 -0.16 -0.51 -2.81 0.00 0.00 174.94 171.34 2kuf s ILE 620 N 3.97 1.46 -0.20 2.00 -1.16 -1.26 -4.90 121.20 121.12 2kuf s ILE 620 Ca 0.66 -0.65 -0.10 0.00 -0.51 0.00 0.00 60.65 60.05 2kuf s ILE 620 Cb -0.28 -1.32 -0.05 0.00 0.61 0.00 0.00 42.46 41.43 2kuf s ILE 620 CO 0.24 0.43 0.12 -0.89 -2.81 0.00 0.00 174.94 172.03 2kuf s THR 621 N 0.72 5.32 0.16 4.00 2.01 -1.25 -2.39 115.64 124.21 2kuf s THR 621 Ca -0.12 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2kuf s THR 621 Cb -0.16 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2kuf s THR 621 CO 0.03 0.44 0.06 -1.48 -0.69 0.00 0.00 174.62 172.98 2kuf s LEU 622 N 0.42 1.71 -0.03 4.42 0.05 -0.24 0.06 118.68 125.08 2kuf s LEU 622 Ca 0.07 -1.24 0.04 0.00 0.05 0.00 0.00 54.13 53.05 2kuf s LEU 622 Cb -0.11 0.24 -0.01 0.00 -2.05 0.00 0.00 46.19 44.26 2kuf s LEU 622 CO -0.01 -0.72 -0.16 0.00 -0.55 0.00 0.00 176.35 174.91 2kuf s ARG 623 N -4.05 1.46 0.14 1.48 1.70 0.71 0.03 118.95 120.41 2kuf s ARG 623 Ca 0.27 -0.55 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 2kuf s ARG 623 Cb 0.07 -1.33 -0.04 0.00 -0.57 0.00 0.00 34.95 33.08 2kuf s ARG 623 CO 0.04 0.27 0.09 -0.59 -1.08 0.00 0.00 175.30 174.03 2kuf s PHE 624 N -0.13 0.83 0.27 5.89 -0.71 -1.14 -0.90 117.98 122.10 2kuf s PHE 624 Ca 0.01 -1.20 -0.26 0.00 -1.04 0.00 0.00 56.93 54.44 2kuf s PHE 624 Cb -0.09 -0.44 -0.09 0.00 -1.21 0.00 0.00 43.02 41.19 2kuf s PHE 624 CO 0.01 -0.55 0.90 0.20 -1.34 0.00 0.00 175.22 174.43 2kuf s GLY 625 N -3.05 2.88 0.00 1.99 0.00 -0.23 -1.89 107.32 107.02 2kuf s GLY 625 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2kuf s GLY 625 CO 0.02 0.96 0.46 -0.18 0.00 0.00 0.00 173.10 174.36