#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 4.11 -0.26 1.61 0.04 -1.26 -4.94 135.00 134.31 2kuf s PRO 492 Ca 0.00 1.39 0.11 0.00 0.04 0.00 0.00 61.00 62.54 2kuf s PRO 492 Cb 0.00 -2.38 0.72 0.00 0.04 0.00 0.00 34.50 32.88 2kuf s PRO 492 CO 0.00 -0.17 1.68 0.00 0.04 0.00 0.00 177.00 178.56 2kuf n ALA 493 N -0.35 4.11 -2.76 8.56 0.00 -1.26 -4.82 120.51 123.99 2kuf n ALA 493 Ca 0.06 -1.94 -0.16 0.00 0.00 0.00 0.00 53.44 51.40 2kuf n ALA 493 Cb 0.51 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.70 0.44 0.01 0.00 -4.23 -1.26 0.33 115.64 108.24 2kuf s THR 494 Ca 0.50 -0.28 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 2kuf s THR 494 Cb 0.39 -0.38 -0.01 0.00 1.34 0.00 0.00 72.50 73.83 2kuf s THR 494 CO 0.14 0.10 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.64 2kuf s LYS 495 N -0.21 0.99 -0.12 3.99 1.02 0.12 -4.82 119.74 120.71 2kuf s LYS 495 Ca 0.02 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.12 2kuf s LYS 495 Cb -0.03 -0.98 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 2kuf s LYS 495 CO -0.00 0.26 1.06 0.16 -0.92 0.00 0.00 175.35 175.90 2kuf s ASP 496 N -0.66 7.17 0.10 2.83 -4.77 -1.26 -0.64 116.67 119.43 2kuf s ASP 496 Ca 0.03 1.56 -0.30 0.00 -3.30 0.00 0.00 52.55 50.55 2kuf s ASP 496 Cb -0.06 -2.55 -0.06 0.00 -1.09 0.00 0.00 42.92 39.16 2kuf s ASP 496 CO 0.00 -0.53 1.04 0.27 0.70 0.00 0.00 175.17 176.65 2kuf s ILE 497 N 2.32 4.34 0.48 2.11 -4.36 0.22 -4.88 121.20 121.43 2kuf s ILE 497 Ca 0.49 1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 62.67 2kuf s ILE 497 Cb -0.19 -4.19 0.11 0.00 1.25 0.00 0.00 42.46 39.44 2kuf s ILE 497 CO 0.16 0.25 0.65 -0.81 0.24 0.00 0.00 174.94 175.43 2kuf n PRO 498 N 3.06 -0.58 -3.57 0.37 -0.04 -1.26 -0.01 135.00 132.96 2kuf n PRO 498 Ca 0.04 -1.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.08 2kuf n PRO 498 Cb 0.48 -0.65 -0.10 0.00 -0.04 0.00 0.00 33.50 33.19 2kuf n PRO 498 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kuf s ASP 499 N -3.38 6.15 -0.41 3.54 2.15 -1.26 -4.67 116.67 118.79 2kuf s ASP 499 Ca 0.37 0.15 0.08 0.00 0.43 0.00 0.00 52.55 53.59 2kuf s ASP 499 Cb -0.01 -2.14 0.43 0.00 -0.30 0.00 0.00 42.92 40.90 2kuf s ASP 499 CO 0.26 -0.02 1.07 1.33 -0.17 0.00 0.00 175.17 177.64 2kuf n VAL 500 N 4.62 2.04 -3.67 1.11 0.24 -1.26 -5.00 118.33 116.42 2kuf n VAL 500 Ca -0.13 -4.46 -0.39 0.00 -2.04 0.00 0.00 64.34 57.31 2kuf n VAL 500 Cb 0.52 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 -3.44 3.18 0.00 2.33 0.00 -1.26 -4.35 121.76 118.21 2kuf s ALA 501 Ca 0.43 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2kuf s ALA 501 Cb 0.41 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2kuf s ALA 501 CO -0.13 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.60 2kuf n GLY 502 N 4.89 1.05 4.00 0.00 0.00 -0.55 -4.96 105.19 109.62 2kuf n GLY 502 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2kuf n GLY 502 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kuf s GLN 503 N 0.00 1.53 0.60 1.61 1.11 -1.26 -4.88 119.66 118.37 2kuf s GLN 503 Ca 0.00 -1.18 -0.15 0.00 0.01 0.00 0.00 55.36 54.04 2kuf s GLN 503 Cb 0.00 -2.31 -0.03 0.00 -1.01 0.00 0.00 33.01 29.66 2kuf s GLN 503 CO 0.00 -1.57 1.05 0.99 0.01 0.00 0.00 175.29 175.77 2kuf s THR 504 N -3.20 3.93 0.16 -0.19 2.01 -1.26 -1.89 115.64 115.20 2kuf s THR 504 Ca 0.68 0.87 -0.13 0.00 0.31 0.00 0.00 61.69 63.41 2kuf s THR 504 Cb -0.04 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.10 2kuf s THR 504 CO 0.45 -0.59 1.75 1.62 -0.69 0.00 0.00 174.62 177.17 2kuf h VAL 505 N 0.30 1.20 -0.76 3.82 3.04 -0.68 0.31 116.25 123.48 2kuf h VAL 505 Ca -0.46 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 64.63 2kuf h VAL 505 Cb 1.21 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 2kuf h VAL 505 CO 0.58 0.22 0.28 -0.78 -1.01 0.00 0.00 177.57 176.86 2kuf h ASP 506 N 0.72 1.07 -0.34 3.17 3.58 -1.93 0.62 116.42 123.31 2kuf h ASP 506 Ca 0.19 -0.19 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2kuf h ASP 506 Cb 0.11 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 2kuf h ASP 506 CO -0.02 0.97 -0.44 0.58 -2.88 0.00 0.00 179.24 177.45 2kuf h VAL 507 N 1.11 1.27 -0.50 2.25 2.07 -1.81 0.66 116.25 121.31 2kuf h VAL 507 Ca 0.25 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2kuf h VAL 507 Cb 0.25 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2kuf h VAL 507 CO -0.02 0.54 0.30 0.00 0.02 0.00 0.00 177.57 178.41 2kuf h ALA 508 N 0.76 0.64 -0.52 1.67 0.00 0.01 0.37 119.26 122.18 2kuf h ALA 508 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kuf h ALA 508 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2kuf h ALA 508 CO 0.10 0.12 0.11 1.96 0.00 0.00 0.00 179.25 181.55 2kuf h GLN 509 N 0.67 0.84 -0.44 0.00 4.20 -0.54 0.32 115.11 120.16 2kuf h GLN 509 Ca 0.18 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2kuf h GLN 509 Cb -0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2kuf h GLN 509 CO -0.03 0.81 -0.02 0.87 -0.67 0.00 0.00 178.83 179.78 2kuf h LYS 510 N 0.72 0.79 -0.42 1.46 1.79 -0.59 -0.47 116.57 119.85 2kuf h LYS 510 Ca 0.16 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 2kuf h LYS 510 Cb 0.36 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2kuf h LYS 510 CO 0.00 0.87 -0.20 -0.91 -1.08 0.00 0.00 179.45 178.13 2kuf h ASN 511 N 0.63 0.84 -0.28 0.86 2.35 0.07 -1.59 115.58 118.47 2kuf h ASN 511 Ca 0.12 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 2kuf h ASN 511 Cb 0.52 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2kuf h ASN 511 CO 0.03 1.02 0.11 0.25 -1.65 0.00 0.00 177.43 177.18 2kuf h LEU 512 N 0.73 0.39 -1.53 1.61 7.12 -0.26 -2.99 115.31 120.38 2kuf h LEU 512 Ca 0.10 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 2kuf h LEU 512 Cb 0.72 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 2kuf h LEU 512 CO 0.06 0.46 0.18 -1.13 -0.13 0.00 0.00 178.44 177.87 2kuf h ASN 513 N 0.30 0.44 -0.63 1.25 -0.73 -0.65 0.13 115.58 115.69 2kuf h ASN 513 Ca 0.09 -0.03 0.09 0.00 1.87 0.00 0.00 56.30 58.32 2kuf h ASN 513 Cb 0.20 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 2kuf h ASN 513 CO -0.01 0.37 0.42 0.58 -0.37 0.00 0.00 177.43 178.42 2kuf h VAL 514 N 0.50 0.92 -0.01 2.57 2.07 -1.14 0.34 116.25 121.49 2kuf h VAL 514 Ca 0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2kuf h VAL 514 Cb 0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2kuf h VAL 514 CO -0.02 0.09 -0.10 -1.22 0.02 0.00 0.00 177.57 176.34 2kuf n TYR 515 N -4.48 0.00 -0.01 1.57 4.01 -0.87 -4.74 117.16 112.63 2kuf n TYR 515 Ca 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.81 2kuf n TYR 515 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.75 -0.24 2.43 2.72 0.00 0.39 -4.97 105.19 106.26 2kuf n GLY 516 Ca 0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.45 -0.15 -1.91 1.61 3.72 0.11 -4.99 117.46 112.40 2kuf n PHE 517 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2kuf n PHE 517 Cb 0.16 -2.87 0.00 0.00 -0.94 0.00 0.00 39.48 35.83 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 -2.83 0.00 -4.66 4.37 -2.24 -1.26 -4.95 114.28 102.71 2kuf n THR 518 Ca -0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2kuf n THR 518 Cb 0.55 -1.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.50 2.61 0.07 -0.78 1.02 -1.14 -4.96 119.74 114.05 2kuf s LYS 519 Ca 0.00 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.39 2kuf s LYS 519 Cb 0.00 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2kuf s LYS 519 CO 0.00 0.64 -0.12 -0.59 -0.92 0.00 0.00 175.35 174.36 2kuf s PHE 520 N -0.83 1.05 0.05 3.18 -0.12 -1.26 -0.21 117.98 119.84 2kuf s PHE 520 Ca 0.13 -0.51 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 2kuf s PHE 520 Cb -0.11 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2kuf s PHE 520 CO 0.03 0.01 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.63 2kuf s SER 521 N -1.85 0.60 0.05 1.98 1.04 0.14 -4.84 113.70 110.82 2kuf s SER 521 Ca -0.02 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.58 2kuf s SER 521 Cb -0.09 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 2kuf s SER 521 CO 0.01 -0.48 -0.13 0.00 0.98 0.00 0.00 173.24 173.63 2kuf s GLN 522 N -3.22 0.81 -0.02 4.02 -2.07 -1.26 -0.28 119.66 117.65 2kuf s GLN 522 Ca 0.02 -0.77 -0.03 0.00 -1.82 0.00 0.00 55.36 52.75 2kuf s GLN 522 Cb 0.02 -0.79 0.00 0.00 -1.09 0.00 0.00 33.01 31.16 2kuf s GLN 522 CO -0.06 0.19 0.08 0.00 -1.32 0.00 0.00 175.29 174.17 2kuf s ALA 523 N -0.99 -0.18 -0.14 2.60 0.00 -0.46 -4.91 121.76 117.68 2kuf s ALA 523 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2kuf s ALA 523 Cb -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2kuf s ALA 523 CO 0.01 -0.09 0.07 -1.12 0.00 0.00 0.00 175.76 174.64 2kuf s SER 524 N -0.44 5.81 0.16 0.00 0.01 -1.26 0.01 113.70 117.99 2kuf s SER 524 Ca -0.05 0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.54 2kuf s SER 524 Cb -0.03 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 2kuf s SER 524 CO 0.00 0.31 -0.20 0.54 0.41 0.00 0.00 173.24 174.30 2kuf s VAL 525 N -0.45 1.90 -0.03 3.43 0.11 0.64 -4.91 120.40 121.09 2kuf s VAL 525 Ca 0.10 -1.87 -0.17 0.00 -2.93 0.00 0.00 61.98 57.11 2kuf s VAL 525 Cb -0.12 -1.84 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2kuf s VAL 525 CO 0.02 -0.23 0.48 1.51 -3.33 0.00 0.00 175.10 173.55 2kuf s ASP 526 N -2.52 6.83 0.15 3.54 -4.77 -1.26 -0.30 116.67 118.33 2kuf s ASP 526 Ca 0.15 0.99 -0.25 0.00 -3.30 0.00 0.00 52.55 50.14 2kuf s ASP 526 Cb -0.07 -2.30 0.06 0.00 -1.09 0.00 0.00 42.92 39.53 2kuf s ASP 526 CO 0.07 0.18 0.80 -0.44 0.70 0.00 0.00 175.17 176.47 2kuf s SER 527 N -0.38 -0.34 0.00 2.11 0.01 0.01 -4.88 113.70 110.23 2kuf s SER 527 Ca 0.26 -0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.37 2kuf s SER 527 Cb -0.17 0.55 0.46 0.00 0.21 0.00 0.00 66.02 67.07 2kuf s SER 527 CO 0.14 -0.95 1.27 -2.65 0.41 0.00 0.00 173.24 171.45 2kuf n PRO 528 N -0.39 0.07 -2.41 12.44 -0.02 -1.26 -3.39 135.00 140.04 2kuf n PRO 528 Ca -0.09 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 2kuf n PRO 528 Cb 0.62 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kuf s ARG 529 N -2.80 4.38 0.51 -0.52 3.00 -1.26 -4.84 118.95 117.42 2kuf s ARG 529 Ca 0.07 1.76 -0.22 0.00 0.00 0.00 0.00 55.73 57.34 2kuf s ARG 529 Cb 0.07 -3.46 -0.07 0.00 0.00 0.00 0.00 34.95 31.49 2kuf s ARG 529 CO 0.17 -0.38 1.20 -2.30 0.00 0.00 0.00 175.30 173.99 2kuf n PRO 530 N 4.61 1.53 -1.65 3.54 -0.02 -1.26 -2.69 135.00 139.06 2kuf n PRO 530 Ca 0.10 0.56 -0.49 0.00 -2.02 0.00 0.00 63.50 61.65 2kuf n PRO 530 Cb 0.46 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.89 0.91 0.00 3.55 0.00 -1.18 -1.98 120.51 120.91 2kuf n ALA 531 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2kuf n ALA 531 Cb 0.43 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 4.78 1.31 3.76 0.00 0.00 -1.08 -4.97 105.19 109.00 2kuf n GLY 532 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 4.62 -0.31 1.61 2.12 -0.84 0.06 118.70 125.95 2kuf s GLU 533 Ca 0.00 1.23 -0.11 0.00 0.36 0.00 0.00 54.97 56.44 2kuf s GLU 533 Cb 0.00 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2kuf s GLU 533 CO 0.00 0.48 0.20 0.54 -0.54 0.00 0.00 175.26 175.94 2kuf s VAL 534 N -0.85 5.09 -1.14 3.70 0.11 -0.79 -0.42 120.40 126.10 2kuf s VAL 534 Ca 0.38 -0.16 0.29 0.00 -2.93 0.00 0.00 61.98 59.56 2kuf s VAL 534 Cb -0.23 -3.56 0.30 0.00 -1.53 0.00 0.00 36.38 31.37 2kuf s VAL 534 CO 0.27 0.09 1.92 0.35 -3.33 0.00 0.00 175.10 174.39 2kuf n THR 535 N 5.06 0.00 -1.73 5.04 -2.24 -0.76 -1.47 114.28 118.17 2kuf n THR 535 Ca -0.13 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2kuf n THR 535 Cb 0.50 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 536 N 1.44 0.16 3.54 3.38 0.00 -1.24 -4.72 105.19 107.74 2kuf n GLY 536 Ca 0.09 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.72 2.90 0.04 2.61 -4.23 -1.26 -0.09 115.64 112.89 2kuf s THR 537 Ca 0.00 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 2kuf s THR 537 Cb 0.00 -2.51 -0.17 0.00 1.34 0.00 0.00 72.50 71.16 2kuf s THR 537 CO 0.00 -0.32 1.38 -1.13 -0.54 0.00 0.00 174.62 174.01 2kuf h ASN 538 N 2.34 -0.65 -3.63 3.99 -1.24 -1.76 -3.42 115.58 111.21 2kuf h ASN 538 Ca -0.43 -0.03 -0.52 0.00 0.71 0.00 0.00 56.30 56.02 2kuf h ASN 538 Cb 1.24 0.17 0.05 0.00 0.73 0.00 0.00 38.32 40.51 2kuf h ASN 538 CO 0.58 -0.35 0.65 -2.16 -1.29 0.00 0.00 177.43 174.86 2kuf s PRO 539 N -5.29 4.38 0.56 6.67 0.04 -1.26 -4.98 135.00 135.11 2kuf s PRO 539 Ca -0.16 2.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2kuf s PRO 539 Cb 0.03 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2kuf s PRO 539 CO 0.55 -0.21 1.27 -1.25 0.04 0.00 0.00 177.00 177.40 2kuf s PRO 540 N -0.98 3.09 0.46 0.56 0.04 -1.26 -4.94 135.00 131.96 2kuf s PRO 540 Ca 0.53 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 2kuf s PRO 540 Cb -0.38 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 2kuf s PRO 540 CO 0.46 -1.16 1.40 0.00 0.04 0.00 0.00 177.00 177.74 2kuf n ALA 541 N -1.25 1.89 0.00 8.56 0.00 -1.26 -2.29 120.51 126.16 2kuf n ALA 541 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2kuf n ALA 541 Cb 0.47 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2kuf n ALA 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 542 N 0.63 3.03 3.75 0.00 0.00 0.98 -5.00 105.19 108.57 2kuf n GLY 542 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.84 3.54 -0.01 2.61 2.01 -0.97 -4.56 115.64 115.42 2kuf s THR 543 Ca 0.00 1.38 -0.21 0.00 0.31 0.00 0.00 61.69 63.17 2kuf s THR 543 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2kuf s THR 543 CO 0.00 0.26 0.61 0.28 -0.69 0.00 0.00 174.62 175.08 2kuf s THR 544 N -0.46 4.91 0.11 -0.82 -1.32 -1.26 -0.61 115.64 116.19 2kuf s THR 544 Ca 0.50 1.27 0.04 0.00 -1.21 0.00 0.00 61.69 62.28 2kuf s THR 544 Cb -0.32 -3.94 -0.04 0.00 -1.51 0.00 0.00 72.50 66.69 2kuf s THR 544 CO 0.39 0.40 -0.10 0.68 -2.21 0.00 0.00 174.62 173.77 2kuf s VAL 545 N -0.11 1.01 0.42 5.08 -7.23 0.18 -4.90 120.40 114.85 2kuf s VAL 545 Ca 0.32 -1.71 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 2kuf s VAL 545 Cb -0.18 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 2kuf s VAL 545 CO 0.17 -0.57 1.42 -2.65 -0.31 0.00 0.00 175.10 173.16 2kuf n PRO 546 N 0.45 2.33 0.33 4.82 -0.02 -1.26 0.11 135.00 141.76 2kuf n PRO 546 Ca -0.15 0.83 0.22 0.00 -2.02 0.00 0.00 63.50 62.38 2kuf n PRO 546 Cb 0.58 -2.59 1.20 0.00 -0.02 0.00 0.00 33.50 32.67 2kuf n PRO 546 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2kuf h VAL 547 N 2.48 0.00 -0.01 -1.45 3.04 -0.44 0.37 116.25 120.24 2kuf h VAL 547 Ca -0.50 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2kuf h VAL 547 Cb 1.27 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2kuf h VAL 547 CO 0.62 0.00 -0.49 -0.67 -1.01 0.00 0.00 177.57 176.02 2kuf n ASP 548 N -3.05 1.86 -4.79 3.17 2.03 -1.26 -4.20 116.55 110.32 2kuf n ASP 548 Ca -0.03 -1.42 -0.34 0.00 0.52 0.00 0.00 54.79 53.52 2kuf n ASP 548 Cb 0.07 0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.94 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kuf s SER 549 N -2.51 5.92 -0.26 1.67 0.15 0.12 -4.68 113.70 114.09 2kuf s SER 549 Ca 0.18 1.98 -0.12 0.00 0.70 0.00 0.00 55.95 58.69 2kuf s SER 549 Cb 0.18 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2kuf s SER 549 CO 0.59 -1.08 0.26 0.54 1.20 0.00 0.00 173.24 174.75 2kuf s VAL 550 N -2.07 5.27 0.00 4.45 0.11 -1.26 -2.89 120.40 124.01 2kuf s VAL 550 Ca 0.68 0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 59.91 2kuf s VAL 550 Cb -0.19 -3.59 -0.06 0.00 -1.53 0.00 0.00 36.38 31.01 2kuf s VAL 550 CO 0.28 0.24 0.43 -0.63 -3.33 0.00 0.00 175.10 172.08 2kuf s ILE 551 N 1.71 5.00 -0.23 7.04 1.01 0.71 -4.88 121.20 131.56 2kuf s ILE 551 Ca 0.10 0.89 -0.08 0.00 0.00 0.00 0.00 60.65 61.56 2kuf s ILE 551 Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2kuf s ILE 551 CO 0.09 0.57 0.10 -1.83 0.00 0.00 0.00 174.94 173.87 2kuf s GLU 552 N -1.00 3.84 -0.21 2.79 -1.05 -1.26 0.26 118.70 122.07 2kuf s GLU 552 Ca 0.24 -0.39 -0.08 0.00 -0.15 0.00 0.00 54.97 54.59 2kuf s GLU 552 Cb -0.17 -3.37 -0.04 0.00 -0.44 0.00 0.00 34.13 30.11 2kuf s GLU 552 CO 0.14 -0.03 0.08 -0.51 0.95 0.00 0.00 175.26 175.89 2kuf s LEU 553 N 1.22 3.79 -0.33 1.83 1.02 0.62 -1.90 118.68 124.93 2kuf s LEU 553 Ca 0.05 0.02 -0.21 0.00 0.02 0.00 0.00 54.13 54.02 2kuf s LEU 553 Cb -0.14 -1.98 -0.00 0.00 0.02 0.00 0.00 46.19 44.08 2kuf s LEU 553 CO 0.04 0.11 0.65 -1.10 0.02 0.00 0.00 176.35 176.07 2kuf s GLN 554 N 0.76 3.80 -0.12 1.70 1.11 0.88 -1.35 119.66 126.43 2kuf s GLN 554 Ca 0.04 0.21 -0.19 0.00 0.01 0.00 0.00 55.36 55.43 2kuf s GLN 554 Cb -0.13 -3.77 -0.04 0.00 -1.01 0.00 0.00 33.01 28.06 2kuf s GLN 554 CO 0.02 -0.67 0.53 0.08 0.01 0.00 0.00 175.29 175.26 2kuf s VAL 555 N 2.70 5.15 -0.16 1.09 1.01 0.10 -1.84 120.40 128.46 2kuf s VAL 555 Ca 0.26 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 2kuf s VAL 555 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2kuf s VAL 555 CO 0.13 0.29 0.69 -0.55 0.00 0.00 0.00 175.10 175.67 2kuf s SER 556 N 0.73 6.82 -0.10 3.32 0.15 0.44 -0.26 113.70 124.79 2kuf s SER 556 Ca 0.28 0.99 -0.03 0.00 0.70 0.00 0.00 55.95 57.89 2kuf s SER 556 Cb -0.16 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2kuf s SER 556 CO 0.12 -0.26 0.03 -1.59 1.20 0.00 0.00 173.24 172.73 2kuf s LYS 557 N 1.70 3.13 0.64 5.44 -2.85 0.58 -2.62 119.74 125.77 2kuf s LYS 557 Ca 0.33 -0.35 0.37 0.00 -1.00 0.00 0.00 55.97 55.31 2kuf s LYS 557 Cb -0.16 -2.89 2.05 0.00 -2.06 0.00 0.00 37.83 34.77 2kuf s LYS 557 CO 0.12 0.69 2.22 0.78 0.10 0.00 0.00 175.35 179.27 2kuf h GLY 558 N 5.23 0.00 0.00 0.59 0.00 -1.52 0.08 103.07 107.44 2kuf h GLY 558 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2kuf h GLY 558 CO 0.56 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.09 2kuf n ASN 559 N -3.30 0.00 -4.57 0.19 2.85 -1.26 -4.60 115.26 104.57 2kuf n ASN 559 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 2kuf n ASN 559 Cb 0.18 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.09 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 -0.52 2.24 0.22 1.20 -0.21 -1.26 -0.45 119.66 120.88 2kuf s GLN 560 Ca 0.00 -0.94 0.10 0.00 0.02 0.00 0.00 55.36 54.54 2kuf s GLN 560 Cb 0.00 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 2kuf s GLN 560 CO 0.00 0.54 -0.18 -0.59 -2.12 0.00 0.00 175.29 172.94 2kuf s PHE 561 N -1.12 1.99 -0.05 0.91 -0.71 0.30 -4.81 117.98 114.51 2kuf s PHE 561 Ca 0.19 -0.44 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2kuf s PHE 561 Cb -0.11 -0.92 -0.06 0.00 -1.21 0.00 0.00 43.02 40.72 2kuf s PHE 561 CO 0.11 0.49 1.65 0.54 -1.34 0.00 0.00 175.22 176.67 2kuf s VAL 562 N -2.48 3.56 -0.03 -2.49 0.11 -1.26 -0.61 120.40 117.20 2kuf s VAL 562 Ca 0.23 0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 59.68 2kuf s VAL 562 Cb -0.04 -3.45 -0.05 0.00 -1.53 0.00 0.00 36.38 31.31 2kuf s VAL 562 CO 0.10 -0.06 1.43 -0.32 -3.33 0.00 0.00 175.10 172.92 2kuf s MET 563 N 3.95 4.26 1.05 1.54 1.75 0.20 -4.90 119.30 127.15 2kuf s MET 563 Ca 0.73 1.97 -0.12 0.00 -1.25 0.00 0.00 55.69 57.02 2kuf s MET 563 Cb -0.34 -3.67 0.22 0.00 2.84 0.00 0.00 34.83 33.88 2kuf s MET 563 CO 0.30 -0.64 1.07 -2.14 -0.65 0.00 0.00 175.02 172.96 2kuf s PRO 564 N 2.82 0.03 -0.17 4.11 0.02 -1.26 -0.64 135.00 139.91 2kuf s PRO 564 Ca 0.64 0.62 -0.22 0.00 0.02 0.00 0.00 61.00 62.06 2kuf s PRO 564 Cb -0.31 -1.68 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 2kuf s PRO 564 CO 0.26 -3.03 0.70 0.34 -0.33 0.00 0.00 177.00 174.93 2kuf s ASP 565 N -3.18 6.80 -0.04 2.53 2.15 -1.26 -4.64 116.67 119.04 2kuf s ASP 565 Ca 0.66 0.98 0.05 0.00 0.43 0.00 0.00 52.55 54.67 2kuf s ASP 565 Cb -0.20 -2.39 0.08 0.00 -0.30 0.00 0.00 42.92 40.11 2kuf s ASP 565 CO 0.60 -0.29 1.01 -0.11 -0.17 0.00 0.00 175.17 176.20 2kuf n LEU 566 N 4.95 0.73 -4.77 -1.34 0.00 -1.26 -5.09 117.00 110.22 2kuf n LEU 566 Ca 0.00 -1.55 -0.38 0.00 0.00 0.00 0.00 56.01 54.09 2kuf n LEU 566 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 43.42 43.74 2kuf n LEU 566 CO 0.46 0.37 0.70 -0.94 0.00 0.00 0.00 177.39 177.98 2kuf s SER 567 N -1.46 7.16 -0.97 1.96 1.04 -1.26 -4.03 113.70 116.14 2kuf s SER 567 Ca 0.09 1.99 -0.05 0.00 0.48 0.00 0.00 55.95 58.46 2kuf s SER 567 Cb 0.08 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.61 2kuf s SER 567 CO 0.01 -0.20 0.84 0.61 0.98 0.00 0.00 173.24 175.48 2kuf n GLY 568 N 0.68 -0.15 3.33 7.32 0.00 -1.26 -5.02 105.19 110.08 2kuf n GLY 568 Ca 0.02 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2kuf n GLY 568 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kuf s MET 569 N -5.71 1.71 0.68 1.61 0.00 -1.26 -4.88 119.30 111.46 2kuf s MET 569 Ca 0.32 -2.00 0.02 0.00 0.00 0.00 0.00 55.69 54.03 2kuf s MET 569 Cb -0.14 0.09 0.12 0.00 0.00 0.00 0.00 34.83 34.90 2kuf s MET 569 CO 0.54 -0.57 0.94 -0.06 0.00 0.00 0.00 175.02 175.87 2kuf s PHE 570 N -3.49 1.49 0.34 3.16 0.08 -1.26 -0.55 117.98 117.74 2kuf s PHE 570 Ca 0.37 -0.43 0.11 0.00 0.12 0.00 0.00 56.93 57.10 2kuf s PHE 570 Cb 0.03 -2.75 0.59 0.00 -0.57 0.00 0.00 43.02 40.32 2kuf s PHE 570 CO 0.22 -1.56 1.75 2.35 -0.10 0.00 0.00 175.22 177.89 2kuf h TRP 571 N -0.32 0.03 0.00 0.36 2.91 -1.96 -0.15 115.95 116.81 2kuf h TRP 571 Ca -0.34 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.67 2kuf h TRP 571 Cb 1.27 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.92 2kuf h TRP 571 CO -0.02 0.46 0.00 1.55 -1.03 0.00 0.00 178.44 179.40 2kuf n VAL 572 N -4.01 0.47 -0.11 2.65 3.14 -1.26 -1.37 118.33 117.84 2kuf n VAL 572 Ca -0.02 0.12 -0.16 0.00 -2.96 0.00 0.00 64.34 61.32 2kuf n VAL 572 Cb 0.47 -0.74 -0.13 0.00 -1.06 0.00 0.00 33.84 32.38 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 -1.46 1.51 -0.22 6.55 8.00 -0.70 -4.42 116.55 125.81 2kuf n ASP 573 Ca 0.06 -0.08 -0.05 0.00 0.71 0.00 0.00 54.79 55.43 2kuf n ASP 573 Cb 0.24 -0.10 0.05 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.25 0.80 0.10 2.24 0.00 -0.56 -2.52 119.26 119.58 2kuf h ALA 574 Ca -0.56 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kuf h ALA 574 Cb 1.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2kuf h ALA 574 CO -0.05 0.18 -0.14 0.93 0.00 0.00 0.00 179.25 180.17 2kuf h GLU 575 N 0.81 -0.28 -0.49 0.00 5.08 -1.44 0.34 114.58 118.60 2kuf h GLU 575 Ca 0.24 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2kuf h GLU 575 Cb -0.05 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2kuf h GLU 575 CO -0.07 -0.19 0.32 -1.00 -1.00 0.00 0.00 179.01 177.07 2kuf h PRO 576 N -0.29 0.46 -0.33 2.33 0.13 -1.76 -2.06 132.00 130.48 2kuf h PRO 576 Ca 0.02 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 2kuf h PRO 576 Cb 0.30 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 2kuf h PRO 576 CO -0.07 0.30 0.09 0.00 -0.23 0.00 0.00 178.00 178.10 2kuf h ARG 577 N 0.47 0.52 -0.37 0.86 2.47 -0.93 -1.67 114.38 115.72 2kuf h ARG 577 Ca 0.20 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 2kuf h ARG 577 Cb 0.22 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2kuf h ARG 577 CO -0.05 0.57 0.01 1.37 0.56 0.00 0.00 179.97 182.42 2kuf h LEU 578 N 0.37 0.64 -0.75 3.04 8.10 -0.43 0.26 115.31 126.54 2kuf h LEU 578 Ca 0.10 -0.30 -0.10 0.00 0.11 0.00 0.00 57.88 57.69 2kuf h LEU 578 Cb 0.27 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.30 2kuf h LEU 578 CO -0.00 0.78 -0.11 0.08 -4.11 0.00 0.00 178.44 175.08 2kuf h ARG 579 N 0.47 0.84 -0.21 0.17 0.11 -1.41 0.20 114.38 114.55 2kuf h ARG 579 Ca 0.11 -0.29 -0.17 0.00 0.10 0.00 0.00 59.98 59.73 2kuf h ARG 579 Cb 0.45 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 2kuf h ARG 579 CO 0.02 0.91 -0.55 0.00 0.10 0.00 0.00 179.97 180.45 2kuf h ALA 580 N 1.12 0.64 -0.00 0.08 0.00 -0.81 -2.91 119.26 117.36 2kuf h ALA 580 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kuf h ALA 580 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kuf h ALA 580 CO 0.04 0.69 -0.18 1.47 0.00 0.00 0.00 179.25 181.27 2kuf n LEU 581 N -3.97 0.21 -1.31 0.00 -0.00 0.85 -4.93 117.00 107.86 2kuf n LEU 581 Ca -0.03 0.28 -0.04 0.00 -0.00 0.00 0.00 56.01 56.21 2kuf n LEU 581 Cb 0.61 -0.38 0.02 0.00 -0.00 0.00 0.00 43.42 43.67 2kuf n LEU 581 CO 0.48 0.05 0.04 0.61 -0.00 0.00 0.00 177.39 178.57 2kuf n GLY 582 N 1.47 0.47 3.70 1.47 0.00 -0.47 -5.00 105.19 106.83 2kuf n GLY 582 Ca 0.07 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.07 3.36 -0.01 1.61 -0.00 0.56 -4.93 118.94 116.46 2kuf s TRP 583 Ca 0.06 1.33 0.05 0.00 -0.00 0.00 0.00 56.10 57.55 2kuf s TRP 583 Cb -0.03 -3.36 -0.24 0.00 -0.00 0.00 0.00 33.47 29.84 2kuf s TRP 583 CO 0.15 -1.05 0.80 1.79 -0.00 0.00 0.00 176.95 178.64 2kuf h THR 584 N 4.82 1.06 -2.23 5.86 1.35 -1.83 -3.45 112.91 118.50 2kuf h THR 584 Ca -0.37 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.67 2kuf h THR 584 Cb 1.19 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2kuf h THR 584 CO 0.84 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 2kuf n GLY 585 N 1.60 -0.66 3.51 5.82 0.00 0.08 -5.03 105.19 110.50 2kuf n GLY 585 Ca -0.15 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.64 1.86 0.00 1.61 -1.94 -1.26 -5.01 119.30 111.92 2kuf s MET 586 Ca 0.00 -1.16 -0.30 0.00 -1.71 0.00 0.00 55.69 52.52 2kuf s MET 586 Cb 0.00 -2.15 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 2kuf s MET 586 CO 0.00 0.48 0.96 -1.17 -0.01 0.00 0.00 175.02 175.28 2kuf s LEU 587 N -2.22 4.37 -0.12 -0.03 0.20 -1.26 -4.54 118.68 115.09 2kuf s LEU 587 Ca 0.19 1.64 0.01 0.00 0.69 0.00 0.00 54.13 56.65 2kuf s LEU 587 Cb -0.10 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.14 2kuf s LEU 587 CO 0.11 -0.24 -0.12 -0.62 -0.29 0.00 0.00 176.35 175.19 2kuf s ASP 588 N 0.95 2.35 -0.20 3.68 2.15 -1.22 -5.10 116.67 119.28 2kuf s ASP 588 Ca 0.51 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 53.01 2kuf s ASP 588 Cb -0.21 -1.01 -0.04 0.00 -0.30 0.00 0.00 42.92 41.36 2kuf s ASP 588 CO 0.27 -0.05 0.10 -1.59 -0.17 0.00 0.00 175.17 173.74 2kuf s LYS 589 N 1.33 4.05 0.08 4.34 0.00 -1.26 -1.61 119.74 126.67 2kuf s LYS 589 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 55.97 55.56 2kuf s LYS 589 Cb -0.14 -3.35 -0.22 0.00 0.00 0.00 0.00 37.83 34.13 2kuf s LYS 589 CO -0.06 0.22 1.19 0.78 0.00 0.00 0.00 175.35 177.48 2kuf h GLY 590 N 6.93 0.62 -4.94 0.59 0.00 -0.92 -3.46 103.07 101.89 2kuf h GLY 590 Ca -0.38 -1.20 -0.27 0.00 0.00 0.00 0.00 47.33 45.48 2kuf h GLY 590 CO 0.71 1.06 -0.73 0.00 0.00 0.00 0.00 176.54 177.57 2kuf s ALA 591 N -3.12 0.46 -0.23 3.60 0.00 -1.26 -5.06 121.76 116.15 2kuf s ALA 591 Ca -0.08 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2kuf s ALA 591 Cb 0.07 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2kuf s ALA 591 CO 0.91 -0.01 0.19 0.16 0.00 0.00 0.00 175.76 177.00 2kuf s ASP 592 N -1.22 6.18 -0.17 0.00 -4.77 -1.26 -3.25 116.67 112.18 2kuf s ASP 592 Ca -0.08 0.19 -0.07 0.00 -3.30 0.00 0.00 52.55 49.29 2kuf s ASP 592 Cb -0.08 -2.12 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 2kuf s ASP 592 CO 0.00 0.06 0.05 -0.69 0.70 0.00 0.00 175.17 175.30 2kuf s VAL 593 N 0.99 4.72 -0.21 2.11 1.01 -0.40 -4.76 120.40 123.85 2kuf s VAL 593 Ca 0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 2kuf s VAL 593 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2kuf s VAL 593 CO 0.04 0.48 1.34 1.51 0.00 0.00 0.00 175.10 178.47 2kuf s ASP 594 N 0.20 6.78 0.23 3.32 -4.77 -1.26 0.41 116.67 121.57 2kuf s ASP 594 Ca 0.04 1.55 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 2kuf s ASP 594 Cb -0.12 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2kuf s ASP 594 CO 0.01 -0.93 0.00 0.00 0.70 0.00 0.00 175.17 174.94 2kuf n ALA 595 N 7.18 2.73 0.00 2.11 0.00 -1.26 -4.96 120.51 126.31 2kuf n ALA 595 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kuf n ALA 595 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 1.23 1.04 0.35 0.00 0.00 -1.26 -4.22 105.19 102.32 2kuf n GLY 596 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.48 2.00 -0.02 0.00 -1.97 -0.49 103.07 103.06 2kuf h GLY 597 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2kuf h GLY 597 CO 0.00 0.09 -0.47 0.23 0.00 0.00 0.00 176.54 176.39 2kuf h SER 598 N 0.35 0.00 0.03 0.19 0.87 -2.06 -2.34 113.55 110.59 2kuf h SER 598 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2kuf h SER 598 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2kuf h SER 598 CO -0.06 0.47 -0.18 0.00 -0.53 0.00 0.00 176.83 176.53 2kuf n GLN 599 N -3.86 1.58 -1.20 2.24 6.02 -0.28 -5.03 117.38 116.85 2kuf n GLN 599 Ca -0.01 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 2kuf n GLN 599 Cb 0.51 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.29 2kuf n GLN 599 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kuf n HIS 600 N 0.31 -1.73 -1.28 1.08 8.25 -0.69 -4.80 115.22 116.36 2kuf n HIS 600 Ca 0.14 1.04 -0.37 0.00 -0.26 0.00 0.00 57.72 58.26 2kuf n HIS 600 Cb 0.46 -2.62 -0.02 0.00 1.12 0.00 0.00 29.99 28.93 2kuf n HIS 600 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kuf n ASN 601 N 0.66 7.34 -4.91 0.41 3.02 -1.26 -4.77 115.26 115.75 2kuf n ASN 601 Ca 0.00 -2.57 -0.27 0.00 -0.03 0.00 0.00 54.58 51.70 2kuf n ASN 601 Cb 0.00 -1.49 -0.00 0.00 -0.61 0.00 0.00 39.78 37.68 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kuf s ARG 602 N 2.58 3.53 0.18 3.52 0.52 -1.26 -4.23 118.95 123.79 2kuf s ARG 602 Ca 0.62 0.21 -0.32 0.00 -0.52 0.00 0.00 55.73 55.72 2kuf s ARG 602 Cb 0.16 -2.37 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 2kuf s ARG 602 CO -0.06 -0.22 1.59 0.08 0.02 0.00 0.00 175.30 176.71 2kuf s VAL 603 N -2.76 2.51 -0.24 3.52 1.01 0.29 -1.31 120.40 123.42 2kuf s VAL 603 Ca 0.48 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 2kuf s VAL 603 Cb -0.10 -3.24 -0.16 0.00 0.00 0.00 0.00 36.38 32.88 2kuf s VAL 603 CO 0.45 0.03 -0.11 0.52 0.00 0.00 0.00 175.10 175.99 2kuf n VAL 604 N 3.90 1.55 -3.74 2.92 0.31 -0.08 -4.22 118.33 118.97 2kuf n VAL 604 Ca 0.14 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 2kuf n VAL 604 Cb 0.38 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 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 -2.48 -0.33 0.03 3.52 6.14 -0.96 -5.00 117.35 118.26 2kuf s TYR 605 Ca -0.34 0.72 0.05 0.00 0.64 0.00 0.00 57.07 58.15 2kuf s TYR 605 Cb 0.11 0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.60 2kuf s TYR 605 CO 0.56 -0.29 -0.16 1.14 0.64 0.00 0.00 175.55 177.44 2kuf s GLN 606 N -0.47 1.09 0.07 4.97 -2.07 -1.26 -0.45 119.66 121.54 2kuf s GLN 606 Ca -0.06 -0.73 -0.30 0.00 -1.82 0.00 0.00 55.36 52.45 2kuf s GLN 606 Cb -0.04 -1.11 -0.18 0.00 -1.09 0.00 0.00 33.01 30.60 2kuf s GLN 606 CO 0.02 0.28 1.65 -0.97 -1.32 0.00 0.00 175.29 174.96 2kuf h ASN 607 N 5.15 -0.53 -3.54 12.60 -0.00 -1.78 -3.41 115.58 124.06 2kuf h ASN 607 Ca -0.38 0.01 -0.61 0.00 -0.00 0.00 0.00 56.30 55.32 2kuf h ASN 607 Cb 1.17 0.14 -0.12 0.00 -0.00 0.00 0.00 38.32 39.51 2kuf h ASN 607 CO 0.45 -0.37 -0.17 -2.16 -0.00 0.00 0.00 177.43 175.17 2kuf s PRO 608 N -6.06 4.13 0.65 6.67 0.05 -1.26 -5.07 135.00 134.10 2kuf s PRO 608 Ca -0.16 0.19 -0.16 0.00 0.05 0.00 0.00 61.00 60.92 2kuf s PRO 608 Cb 0.04 -3.58 -0.00 0.00 0.05 0.00 0.00 34.50 31.01 2kuf s PRO 608 CO 0.63 -0.13 1.14 -2.14 0.05 0.00 0.00 177.00 176.55 2kuf s PRO 609 N 1.62 2.76 0.36 0.56 0.02 -1.26 -4.96 135.00 134.10 2kuf s PRO 609 Ca 0.19 1.55 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 2kuf s PRO 609 Cb -0.15 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 2kuf s PRO 609 CO 0.09 -1.31 1.47 0.00 -0.33 0.00 0.00 177.00 176.92 2kuf s ALA 610 N -2.09 3.58 0.00 -1.55 0.00 -1.26 -2.17 121.76 118.27 2kuf s ALA 610 Ca 0.71 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.20 2kuf s ALA 610 Cb -0.24 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2kuf s ALA 610 CO 0.39 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2kuf n GLY 611 N 0.69 0.70 3.79 0.00 0.00 0.19 -4.99 105.19 105.56 2kuf n GLY 611 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.19 3.88 -0.09 2.61 2.01 -0.92 -4.45 115.64 116.49 2kuf s THR 612 Ca 0.00 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 2kuf s THR 612 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2kuf s THR 612 CO 0.00 -0.02 1.30 -0.83 -0.69 0.00 0.00 174.62 174.38 2kuf s GLY 613 N -1.66 1.83 -0.02 4.40 0.00 -1.26 -0.63 107.32 109.98 2kuf s GLY 613 Ca 0.57 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.96 2kuf s GLY 613 CO 0.25 2.45 -0.14 -1.34 0.00 0.00 0.00 173.10 174.32 2kuf s VAL 614 N 2.91 3.09 1.10 1.40 -7.23 0.22 -4.81 120.40 117.08 2kuf s VAL 614 Ca 0.58 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.75 2kuf s VAL 614 Cb -0.25 -2.25 0.09 0.00 0.56 0.00 0.00 36.38 34.53 2kuf s VAL 614 CO 0.20 0.52 0.04 -0.46 -0.31 0.00 0.00 175.10 175.09 2kuf n ASN 615 N 2.06 -2.35 0.26 4.85 6.94 -1.26 -0.54 115.26 125.21 2kuf n ASN 615 Ca -0.17 -0.07 0.17 0.00 -0.02 0.00 0.00 54.58 54.50 2kuf n ASN 615 Cb 0.52 -0.98 0.90 0.00 -2.36 0.00 0.00 39.78 37.86 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 -2.00 0.00 -0.00 -3.83 0.11 -1.14 0.49 114.38 108.02 2kuf h ARG 616 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2kuf h ARG 616 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2kuf h ARG 616 CO 0.38 0.00 -0.37 -3.47 0.10 0.00 0.00 179.97 176.61 2kuf n ASP 617 N -3.72 0.55 -0.68 0.08 2.03 -1.26 -4.64 116.55 108.90 2kuf n ASP 617 Ca -0.01 -0.33 -0.09 0.00 0.52 0.00 0.00 54.79 54.89 2kuf n ASP 617 Cb 0.21 0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 2kuf n ASP 617 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kuf n GLY 618 N 1.45 0.97 3.66 0.27 0.00 0.17 -0.74 105.19 110.97 2kuf n GLY 618 Ca 0.08 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 3.84 -0.04 -0.61 -1.16 -1.26 -4.87 121.20 115.03 2kuf s ILE 619 Ca 0.00 1.00 0.03 0.00 -0.51 0.00 0.00 60.65 61.17 2kuf s ILE 619 Cb 0.00 -3.68 0.00 0.00 0.61 0.00 0.00 42.46 39.40 2kuf s ILE 619 CO 0.00 -0.12 -0.13 0.27 -2.81 0.00 0.00 174.94 172.15 2kuf s ILE 620 N 4.01 1.11 -0.13 2.00 -5.25 -1.26 -4.87 121.20 116.82 2kuf s ILE 620 Ca 0.67 -0.52 -0.02 0.00 -0.99 0.00 0.00 60.65 59.79 2kuf s ILE 620 Cb -0.28 -0.98 -0.03 0.00 2.95 0.00 0.00 42.46 44.12 2kuf s ILE 620 CO 0.24 0.34 -0.06 0.28 -1.79 0.00 0.00 174.94 173.95 2kuf s THR 621 N 0.26 3.74 0.19 8.37 -1.32 -1.26 -3.40 115.64 122.23 2kuf s THR 621 Ca -0.06 -0.43 -0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2kuf s THR 621 Cb -0.12 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 2kuf s THR 621 CO 0.02 0.53 0.10 -1.48 -2.21 0.00 0.00 174.62 171.58 2kuf s LEU 622 N -0.00 1.41 -0.04 9.08 0.05 -0.63 -2.03 118.68 126.51 2kuf s LEU 622 Ca -0.00 -1.34 0.04 0.00 0.05 0.00 0.00 54.13 52.88 2kuf s LEU 622 Cb -0.13 0.28 -0.00 0.00 -2.05 0.00 0.00 46.19 44.28 2kuf s LEU 622 CO 0.03 -0.78 -0.16 0.00 -0.55 0.00 0.00 176.35 174.88 2kuf s ARG 623 N -4.10 1.63 0.18 1.48 1.70 0.40 -0.18 118.95 120.06 2kuf s ARG 623 Ca 0.35 -0.57 -0.03 0.00 -0.47 0.00 0.00 55.73 55.01 2kuf s ARG 623 Cb 0.07 -1.44 -0.03 0.00 -0.57 0.00 0.00 34.95 32.98 2kuf s ARG 623 CO 0.10 0.24 0.17 -0.59 -1.08 0.00 0.00 175.30 174.14 2kuf s PHE 624 N 0.02 0.89 -0.29 5.89 -0.71 -1.20 -0.90 117.98 121.68 2kuf s PHE 624 Ca -0.03 -1.19 -0.31 0.00 -1.04 0.00 0.00 56.93 54.37 2kuf s PHE 624 Cb -0.11 -0.38 -0.08 0.00 -1.21 0.00 0.00 43.02 41.24 2kuf s PHE 624 CO 0.02 -0.66 2.23 0.41 -1.34 0.00 0.00 175.22 175.87 2kuf n GLY 625 N -0.23 0.76 4.00 1.99 0.00 -0.43 -1.27 105.19 110.01 2kuf n GLY 625 Ca -0.01 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2kuf n GLY 625 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26