#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 1.62 0.00 1.61 0.02 -1.26 -4.93 135.00 132.06 2kuf s PRO 492 Ca 0.00 1.48 0.27 0.00 0.02 0.00 0.00 61.00 62.78 2kuf s PRO 492 Cb 0.00 -1.80 0.94 0.00 0.02 0.00 0.00 34.50 33.66 2kuf s PRO 492 CO 0.00 -2.17 1.68 0.00 -0.33 0.00 0.00 177.00 176.18 2kuf n ALA 493 N -3.70 2.95 -2.79 -1.55 0.00 -1.26 -4.76 120.51 109.41 2kuf n ALA 493 Ca 0.11 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 2kuf n ALA 493 Cb 0.52 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.51 0.55 -0.01 0.00 -4.23 -1.26 -0.09 115.64 108.08 2kuf s THR 494 Ca 0.25 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2kuf s THR 494 Cb 0.19 -0.54 -0.00 0.00 1.34 0.00 0.00 72.50 73.50 2kuf s THR 494 CO 0.51 -0.10 0.04 -0.75 -0.54 0.00 0.00 174.62 173.77 2kuf s LYS 495 N -0.85 0.17 -0.14 3.99 2.47 0.11 -4.77 119.74 120.72 2kuf s LYS 495 Ca -0.03 -0.17 -0.27 0.00 -1.56 0.00 0.00 55.97 53.95 2kuf s LYS 495 Cb -0.06 0.07 -0.02 0.00 -1.46 0.00 0.00 37.83 36.36 2kuf s LYS 495 CO 0.00 -0.03 0.88 -0.51 0.16 0.00 0.00 175.35 175.85 2kuf s ASP 496 N -0.53 7.06 0.04 1.43 1.11 -1.26 -0.64 116.67 123.88 2kuf s ASP 496 Ca -0.06 1.30 -0.20 0.00 0.18 0.00 0.00 52.55 53.77 2kuf s ASP 496 Cb -0.04 -2.49 -0.06 0.00 1.07 0.00 0.00 42.92 41.41 2kuf s ASP 496 CO -0.00 -0.40 0.59 0.27 1.18 0.00 0.00 175.17 176.82 2kuf s ILE 497 N 2.00 4.81 0.74 0.77 -4.36 -0.64 -4.91 121.20 119.61 2kuf s ILE 497 Ca 0.42 1.25 -0.13 0.00 -0.26 0.00 0.00 60.65 61.94 2kuf s ILE 497 Cb -0.17 -3.93 0.17 0.00 1.25 0.00 0.00 42.46 39.78 2kuf s ILE 497 CO 0.15 0.48 1.00 -0.81 0.24 0.00 0.00 174.94 175.99 2kuf n PRO 498 N 2.24 -0.99 -3.38 0.37 -0.04 -1.26 -0.25 135.00 131.69 2kuf n PRO 498 Ca -0.08 -1.54 -0.38 0.00 -0.04 0.00 0.00 63.50 61.46 2kuf n PRO 498 Cb 0.51 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.87 2kuf n PRO 498 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kuf s ASP 499 N -4.64 6.53 0.00 3.54 -4.77 -1.26 -4.41 116.67 111.66 2kuf s ASP 499 Ca 0.56 0.62 0.00 0.00 -3.30 0.00 0.00 52.55 50.44 2kuf s ASP 499 Cb -0.02 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.57 2kuf s ASP 499 CO 0.40 -0.03 0.27 1.33 0.70 0.00 0.00 175.17 177.83 2kuf n VAL 500 N 4.03 0.00 -1.88 2.11 0.24 -1.26 -4.97 118.33 116.60 2kuf n VAL 500 Ca -0.08 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.38 2kuf n VAL 500 Cb 0.51 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 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 -0.36 2.17 0.00 2.33 0.00 -1.26 -2.43 121.76 122.22 2kuf s ALA 501 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2kuf s ALA 501 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2kuf s ALA 501 CO 0.00 -3.78 0.00 0.41 0.00 0.00 0.00 175.76 172.39 2kuf n GLY 502 N 5.74 1.02 3.67 0.00 0.00 0.47 -4.90 105.19 111.18 2kuf n GLY 502 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 0.63 -1.98 1.61 10.64 -1.02 -4.87 117.38 122.39 2kuf n GLN 503 Ca 0.00 -2.95 -0.32 0.00 -1.83 0.00 0.00 57.00 51.89 2kuf n GLN 503 Cb 0.00 -0.20 0.02 0.00 -0.86 0.00 0.00 30.24 29.19 2kuf n GLN 503 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2kuf s THR 504 N -2.39 3.85 0.21 -0.39 2.01 -1.26 -1.83 115.64 115.83 2kuf s THR 504 Ca 0.56 0.84 -0.09 0.00 0.31 0.00 0.00 61.69 63.30 2kuf s THR 504 Cb -0.04 -3.39 0.16 0.00 0.01 0.00 0.00 72.50 69.24 2kuf s THR 504 CO 0.36 -0.55 1.84 1.62 -0.69 0.00 0.00 174.62 177.20 2kuf h VAL 505 N 0.28 1.23 -0.64 3.82 3.04 -0.23 0.30 116.25 124.04 2kuf h VAL 505 Ca -0.46 -0.53 0.01 0.00 -1.01 0.00 0.00 66.70 64.71 2kuf h VAL 505 Cb 1.22 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 2kuf h VAL 505 CO 0.57 0.24 0.42 -0.78 -1.01 0.00 0.00 177.57 177.02 2kuf h ASP 506 N 1.08 0.72 -0.17 3.17 3.58 -1.92 0.13 116.42 123.01 2kuf h ASP 506 Ca 0.28 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 2kuf h ASP 506 Cb -0.01 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2kuf h ASP 506 CO -0.05 0.51 -0.07 0.58 -2.88 0.00 0.00 179.24 177.34 2kuf h VAL 507 N 0.85 1.30 -0.44 2.25 2.07 -1.77 -0.97 116.25 119.54 2kuf h VAL 507 Ca 0.24 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2kuf h VAL 507 Cb -0.07 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2kuf h VAL 507 CO -0.06 0.32 0.28 0.00 0.02 0.00 0.00 177.57 178.13 2kuf h ALA 508 N 0.70 0.55 -0.37 1.67 0.00 -0.09 0.26 119.26 121.98 2kuf h ALA 508 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kuf h ALA 508 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kuf h ALA 508 CO 0.02 -0.02 0.06 1.96 0.00 0.00 0.00 179.25 181.27 2kuf h GLN 509 N 0.56 0.62 -0.53 0.00 4.20 -0.64 0.22 115.11 119.54 2kuf h GLN 509 Ca 0.17 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2kuf h GLN 509 Cb -0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2kuf h GLN 509 CO -0.05 0.68 -0.14 1.57 -0.67 0.00 0.00 178.83 180.23 2kuf h LYS 510 N 0.46 1.03 -0.49 1.46 2.10 -0.95 -1.26 116.57 118.93 2kuf h LYS 510 Ca 0.11 -0.40 -0.02 0.00 -2.00 0.00 0.00 60.65 58.35 2kuf h LYS 510 Cb 0.37 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2kuf h LYS 510 CO 0.01 1.09 0.23 -0.91 -2.00 0.00 0.00 179.45 177.87 2kuf h ASN 511 N 0.91 0.64 -0.30 7.07 2.35 -0.19 0.14 115.58 126.20 2kuf h ASN 511 Ca 0.13 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2kuf h ASN 511 Cb 0.71 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 2kuf h ASN 511 CO 0.05 0.59 0.19 0.25 -1.65 0.00 0.00 177.43 176.87 2kuf h LEU 512 N 0.65 0.32 -1.00 1.61 5.85 -0.51 -2.51 115.31 119.71 2kuf h LEU 512 Ca 0.17 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 2kuf h LEU 512 Cb 0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2kuf h LEU 512 CO -0.02 0.23 -0.13 -1.13 -0.34 0.00 0.00 178.44 177.05 2kuf h ASN 513 N 0.39 0.56 -0.48 1.25 -0.73 -0.71 0.32 115.58 116.18 2kuf h ASN 513 Ca 0.11 -0.16 0.04 0.00 1.87 0.00 0.00 56.30 58.17 2kuf h ASN 513 Cb -0.02 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 2kuf h ASN 513 CO -0.04 0.72 0.32 0.58 -0.37 0.00 0.00 177.43 178.64 2kuf h VAL 514 N 0.53 1.01 -0.21 2.57 2.07 -0.29 0.99 116.25 122.93 2kuf h VAL 514 Ca 0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2kuf h VAL 514 Cb 0.53 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2kuf h VAL 514 CO 0.03 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.49 2kuf n TYR 515 N -4.48 0.33 0.09 1.57 4.01 -0.87 -4.76 117.16 113.06 2kuf n TYR 515 Ca 0.06 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 2kuf n TYR 515 Cb 0.19 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.00 -0.15 2.40 2.72 0.00 0.11 -4.81 105.19 105.47 2kuf n GLY 516 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.49 -0.11 -2.30 1.61 3.01 0.28 -4.98 117.46 111.49 2kuf n PHE 517 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2kuf n PHE 517 Cb 0.01 -2.64 0.05 0.00 -0.01 0.00 0.00 39.48 36.88 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2kuf n THR 518 N -2.80 0.00 -4.33 4.37 -2.24 -1.26 -4.96 114.28 103.06 2kuf n THR 518 Ca -0.15 -0.56 -0.33 0.00 -2.27 0.00 0.00 64.05 60.74 2kuf n THR 518 Cb 0.50 -1.25 -0.09 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.43 2.79 0.09 -0.78 1.02 -1.16 -4.90 119.74 113.37 2kuf s LYS 519 Ca 0.25 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.70 2kuf s LYS 519 Cb -0.01 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2kuf s LYS 519 CO 0.16 0.63 -0.16 -0.59 -0.92 0.00 0.00 175.35 174.48 2kuf s PHE 520 N -1.04 1.38 0.02 3.18 -0.12 -1.26 -0.47 117.98 119.67 2kuf s PHE 520 Ca 0.18 -0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2kuf s PHE 520 Cb -0.11 -0.76 -0.02 0.00 -0.63 0.00 0.00 43.02 41.50 2kuf s PHE 520 CO 0.09 0.11 -0.02 -1.12 -0.05 0.00 0.00 175.22 174.22 2kuf s SER 521 N -1.94 0.27 -0.13 1.98 0.01 0.21 -4.89 113.70 109.20 2kuf s SER 521 Ca 0.02 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.74 2kuf s SER 521 Cb -0.09 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.27 2kuf s SER 521 CO 0.03 -0.35 -0.20 0.00 0.41 0.00 0.00 173.24 173.13 2kuf s GLN 522 N -1.82 2.76 -0.17 12.44 -2.07 -1.26 -0.22 119.66 129.31 2kuf s GLN 522 Ca -0.13 -0.76 -0.08 0.00 -1.82 0.00 0.00 55.36 52.58 2kuf s GLN 522 Cb -0.07 -2.28 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 2kuf s GLN 522 CO -0.02 -0.05 0.11 0.00 -1.32 0.00 0.00 175.29 174.00 2kuf s ALA 523 N 0.93 3.63 -0.17 2.60 0.00 0.46 -4.93 121.76 124.28 2kuf s ALA 523 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2kuf s ALA 523 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.97 2kuf s ALA 523 CO -0.03 0.30 -0.18 -1.12 0.00 0.00 0.00 175.76 174.74 2kuf s SER 524 N -0.06 3.36 0.11 0.00 0.01 -1.26 0.05 113.70 115.92 2kuf s SER 524 Ca 0.09 -0.58 0.10 0.00 1.31 0.00 0.00 55.95 56.87 2kuf s SER 524 Cb -0.12 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.56 2kuf s SER 524 CO 0.00 0.03 -0.24 0.54 0.41 0.00 0.00 173.24 173.98 2kuf s VAL 525 N 1.12 1.99 0.07 3.43 0.11 -0.12 -4.88 120.40 122.12 2kuf s VAL 525 Ca 0.01 -1.63 -0.24 0.00 -2.93 0.00 0.00 61.98 57.19 2kuf s VAL 525 Cb -0.14 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 32.87 2kuf s VAL 525 CO -0.07 0.04 0.72 1.51 -3.33 0.00 0.00 175.10 173.97 2kuf s ASP 526 N -1.92 7.20 0.17 3.54 1.47 -1.26 -0.09 116.67 125.79 2kuf s ASP 526 Ca 0.10 1.43 -0.20 0.00 1.18 0.00 0.00 52.55 55.07 2kuf s ASP 526 Cb -0.10 -2.45 0.05 0.00 -0.34 0.00 0.00 42.92 40.08 2kuf s ASP 526 CO 0.05 0.11 0.55 -0.44 0.68 0.00 0.00 175.17 176.12 2kuf s SER 527 N -0.50 -0.39 0.00 2.11 0.01 -0.59 -4.87 113.70 109.47 2kuf s SER 527 Ca 0.35 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2kuf s SER 527 Cb -0.21 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2kuf s SER 527 CO 0.22 -1.00 0.45 -0.81 0.41 0.00 0.00 173.24 172.51 2kuf n PRO 528 N -0.34 0.46 -3.64 12.44 -0.04 -1.26 -3.58 135.00 139.03 2kuf n PRO 528 Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 2kuf n PRO 528 Cb 0.63 -1.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.04 2kuf n PRO 528 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kuf s ARG 529 N -1.97 3.69 0.56 0.54 3.00 -1.26 -4.99 118.95 118.51 2kuf s ARG 529 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 55.73 55.59 2kuf s ARG 529 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 34.95 31.91 2kuf s ARG 529 CO 0.00 0.57 1.24 -1.25 0.00 0.00 0.00 175.30 175.86 2kuf s PRO 530 N -1.99 3.16 -0.15 3.54 0.04 -1.26 -2.95 135.00 135.39 2kuf s PRO 530 Ca 0.33 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 2kuf s PRO 530 Cb -0.13 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2kuf s PRO 530 CO 0.19 -1.09 2.04 0.00 0.04 0.00 0.00 177.00 178.18 2kuf s ALA 531 N -1.50 3.07 0.00 8.56 0.00 -1.23 -1.92 121.76 128.74 2kuf s ALA 531 Ca 0.73 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2kuf s ALA 531 Cb -0.33 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2kuf s ALA 531 CO 0.37 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2kuf n GLY 532 N 5.22 1.62 3.70 0.00 0.00 -1.00 -4.87 105.19 109.87 2kuf n GLY 532 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 4.45 -0.39 1.61 2.12 -0.81 0.54 118.70 126.23 2kuf s GLU 533 Ca 0.00 1.17 -0.18 0.00 0.36 0.00 0.00 54.97 56.32 2kuf s GLU 533 Cb 0.00 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.91 2kuf s GLU 533 CO 0.00 -0.10 0.51 0.54 -0.54 0.00 0.00 175.26 175.67 2kuf s VAL 534 N 1.29 5.01 -1.30 3.70 0.11 -0.76 -1.16 120.40 127.29 2kuf s VAL 534 Ca 0.44 0.09 0.18 0.00 -2.93 0.00 0.00 61.98 59.77 2kuf s VAL 534 Cb -0.19 -4.02 0.62 0.00 -1.53 0.00 0.00 36.38 31.26 2kuf s VAL 534 CO 0.21 -0.34 1.53 0.35 -3.33 0.00 0.00 175.10 173.52 2kuf n THR 535 N 5.50 1.47 0.00 5.04 -2.24 -0.51 -0.40 114.28 123.15 2kuf n THR 535 Ca -0.05 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2kuf n THR 535 Cb 0.48 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.08 0.71 3.13 3.38 0.00 -1.15 -4.85 105.19 107.49 2kuf n GLY 536 Ca 0.23 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 1.01 0.04 2.61 -4.23 -1.26 -0.43 115.64 111.37 2kuf s THR 537 Ca 0.00 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 59.23 2kuf s THR 537 Cb 0.00 -0.94 -0.17 0.00 1.34 0.00 0.00 72.50 72.73 2kuf s THR 537 CO 0.00 -0.08 1.48 -1.13 -0.54 0.00 0.00 174.62 174.34 2kuf h ASN 538 N 4.80 -0.14 -3.78 3.99 -0.00 -1.69 -3.42 115.58 115.34 2kuf h ASN 538 Ca -0.38 -0.18 -0.50 0.00 -0.00 0.00 0.00 56.30 55.24 2kuf h ASN 538 Cb 1.19 0.04 0.01 0.00 -0.00 0.00 0.00 38.32 39.55 2kuf h ASN 538 CO 0.43 0.10 0.45 -2.16 -0.00 0.00 0.00 177.43 176.25 2kuf s PRO 539 N -5.26 4.69 0.36 6.67 0.04 -1.26 -5.01 135.00 135.23 2kuf s PRO 539 Ca -0.15 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 2kuf s PRO 539 Cb 0.04 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 2kuf s PRO 539 CO 0.64 0.27 1.36 -2.14 0.04 0.00 0.00 177.00 177.17 2kuf s PRO 540 N -1.33 4.19 0.17 0.56 0.02 -1.26 -4.96 135.00 132.40 2kuf s PRO 540 Ca 0.44 2.32 -0.31 0.00 0.02 0.00 0.00 61.00 63.48 2kuf s PRO 540 Cb -0.31 -2.97 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 2kuf s PRO 540 CO 0.39 -0.36 1.39 0.00 -0.33 0.00 0.00 177.00 178.08 2kuf s ALA 541 N -1.16 3.59 0.00 -1.55 0.00 -1.26 -2.24 121.76 119.14 2kuf s ALA 541 Ca 0.52 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2kuf s ALA 541 Cb -0.42 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2kuf s ALA 541 CO 0.56 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2kuf n GLY 542 N 2.86 0.09 3.77 0.00 0.00 0.65 -4.92 105.19 107.65 2kuf n GLY 542 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 4.68 -0.11 2.61 2.01 -0.95 -4.72 115.64 117.16 2kuf s THR 543 Ca 0.00 1.50 -0.28 0.00 0.31 0.00 0.00 61.69 63.22 2kuf s THR 543 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2kuf s THR 543 CO 0.00 0.45 0.95 0.28 -0.69 0.00 0.00 174.62 175.60 2kuf s THR 544 N -0.52 4.83 0.26 -0.82 -1.32 -1.26 -1.62 115.64 115.19 2kuf s THR 544 Ca 0.35 1.93 0.09 0.00 -1.21 0.00 0.00 61.69 62.84 2kuf s THR 544 Cb -0.20 -4.26 -0.05 0.00 -1.51 0.00 0.00 72.50 66.47 2kuf s THR 544 CO 0.22 0.04 -0.13 0.68 -2.21 0.00 0.00 174.62 173.22 2kuf s VAL 545 N 1.87 1.98 0.34 5.08 -7.23 0.19 -4.86 120.40 117.77 2kuf s VAL 545 Ca 0.46 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 2kuf s VAL 545 Cb -0.18 -2.29 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 2kuf s VAL 545 CO 0.18 -0.42 1.46 -2.84 -0.31 0.00 0.00 175.10 173.17 2kuf s PRO 546 N -3.62 4.19 0.63 4.82 0.02 -1.26 0.05 135.00 139.82 2kuf s PRO 546 Ca 0.28 2.46 0.41 0.00 0.02 0.00 0.00 61.00 64.17 2kuf s PRO 546 Cb -0.00 -3.02 2.13 0.00 0.02 0.00 0.00 34.50 33.63 2kuf s PRO 546 CO 0.12 -0.46 2.26 -0.24 -0.33 0.00 0.00 177.00 178.34 2kuf h VAL 547 N 3.13 0.00 -0.02 3.83 3.04 -0.80 0.26 116.25 125.69 2kuf h VAL 547 Ca -0.49 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2kuf h VAL 547 Cb 1.23 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2kuf h VAL 547 CO 0.69 0.00 -0.06 -0.90 -1.01 0.00 0.00 177.57 176.29 2kuf n ASP 548 N -3.07 2.31 -4.81 3.17 5.75 -1.26 -4.37 116.55 114.27 2kuf n ASP 548 Ca -0.02 -1.73 -0.25 0.00 -0.01 0.00 0.00 54.79 52.78 2kuf n ASP 548 Cb 0.14 0.05 0.08 0.00 -1.03 0.00 0.00 41.12 40.36 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kuf s SER 549 N -2.07 4.62 -0.06 -1.12 0.15 0.08 -4.85 113.70 110.44 2kuf s SER 549 Ca 0.30 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.26 2kuf s SER 549 Cb 0.20 -0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 63.65 2kuf s SER 549 CO 0.35 -1.71 -0.17 0.54 1.20 0.00 0.00 173.24 173.45 2kuf s VAL 550 N -3.25 2.79 -0.08 4.45 0.11 -1.26 -2.97 120.40 120.19 2kuf s VAL 550 Ca 0.62 -0.81 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 2kuf s VAL 550 Cb -0.09 -2.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.62 2kuf s VAL 550 CO 0.45 0.58 0.36 -0.63 -3.33 0.00 0.00 175.10 172.53 2kuf s ILE 551 N -0.48 5.19 -0.30 7.04 1.09 0.38 -4.96 121.20 129.16 2kuf s ILE 551 Ca 0.06 0.72 -0.10 0.00 -1.10 0.00 0.00 60.65 60.22 2kuf s ILE 551 Cb -0.12 -3.68 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 2kuf s ILE 551 CO 0.01 0.48 0.17 -0.70 -0.10 0.00 0.00 174.94 174.80 2kuf s GLU 552 N -0.28 3.58 -0.24 2.79 2.56 -1.26 -0.62 118.70 125.22 2kuf s GLU 552 Ca 0.21 -0.56 -0.19 0.00 0.00 0.00 0.00 54.97 54.43 2kuf s GLU 552 Cb -0.15 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.34 2kuf s GLU 552 CO 0.09 -0.33 0.54 -0.51 -0.56 0.00 0.00 175.26 174.49 2kuf s LEU 553 N 1.68 4.09 -0.60 2.70 2.01 0.69 -1.67 118.68 127.56 2kuf s LEU 553 Ca 0.06 0.61 -0.22 0.00 0.01 0.00 0.00 54.13 54.59 2kuf s LEU 553 Cb -0.17 -2.72 0.07 0.00 0.01 0.00 0.00 46.19 43.39 2kuf s LEU 553 CO 0.08 -0.27 0.86 -1.58 1.01 0.00 0.00 176.35 176.45 2kuf s GLN 554 N 2.11 3.14 -0.14 1.70 2.00 0.43 -0.40 119.66 128.51 2kuf s GLN 554 Ca 0.23 -0.82 -0.07 0.00 -2.00 0.00 0.00 55.36 52.70 2kuf s GLN 554 Cb -0.16 -4.18 -0.04 0.00 0.80 0.00 0.00 33.01 29.43 2kuf s GLN 554 CO 0.09 -1.61 0.11 0.08 -0.50 0.00 0.00 175.29 173.46 2kuf s VAL 555 N 3.57 5.25 -0.14 1.34 1.01 0.11 -1.42 120.40 130.12 2kuf s VAL 555 Ca 0.21 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 2kuf s VAL 555 Cb -0.18 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2kuf s VAL 555 CO 0.11 0.56 0.49 -0.44 0.00 0.00 0.00 175.10 175.83 2kuf s SER 556 N -0.57 6.65 0.10 3.32 0.01 -0.31 -0.95 113.70 121.96 2kuf s SER 556 Ca 0.12 0.78 -0.16 0.00 1.31 0.00 0.00 55.95 58.00 2kuf s SER 556 Cb -0.12 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 2kuf s SER 556 CO 0.02 -0.06 0.53 -1.59 0.41 0.00 0.00 173.24 172.55 2kuf s LYS 557 N 0.94 4.02 0.61 12.44 -2.85 0.88 -2.38 119.74 133.41 2kuf s LYS 557 Ca 0.26 0.53 0.30 0.00 -1.00 0.00 0.00 55.97 56.06 2kuf s LYS 557 Cb -0.15 -3.06 1.62 0.00 -2.06 0.00 0.00 37.83 34.18 2kuf s LYS 557 CO 0.10 0.56 2.00 0.78 0.10 0.00 0.00 175.35 178.88 2kuf h GLY 558 N 3.99 0.00 0.00 0.59 0.00 -1.69 -1.57 103.07 104.38 2kuf h GLY 558 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kuf h GLY 558 CO 0.65 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.18 2kuf n ASN 559 N -3.51 0.00 -4.55 0.19 2.85 -1.24 -4.34 115.26 104.66 2kuf n ASN 559 Ca 0.03 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 2kuf n ASN 559 Cb 0.45 -0.10 -0.10 0.00 1.24 0.00 0.00 39.78 41.26 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 0.00 2.16 0.19 1.20 -0.21 -1.26 -0.49 119.66 121.25 2kuf s GLN 560 Ca 0.00 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 54.48 2kuf s GLN 560 Cb 0.00 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 2kuf s GLN 560 CO 0.00 0.52 -0.16 -0.59 -2.12 0.00 0.00 175.29 172.94 2kuf s PHE 561 N -1.13 1.79 0.06 0.91 -0.12 0.25 -4.84 117.98 114.90 2kuf s PHE 561 Ca 0.19 -0.51 -0.31 0.00 -0.05 0.00 0.00 56.93 56.26 2kuf s PHE 561 Cb -0.11 -0.85 -0.08 0.00 -0.63 0.00 0.00 43.02 41.35 2kuf s PHE 561 CO 0.11 0.37 1.60 0.54 -0.05 0.00 0.00 175.22 177.80 2kuf s VAL 562 N -2.56 3.16 -0.04 -2.49 0.11 -1.26 -0.34 120.40 116.98 2kuf s VAL 562 Ca 0.20 0.60 -0.30 0.00 -2.93 0.00 0.00 61.98 59.55 2kuf s VAL 562 Cb -0.03 -3.39 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 2kuf s VAL 562 CO 0.07 -0.00 1.19 -0.32 -3.33 0.00 0.00 175.10 172.72 2kuf s MET 563 N 2.58 4.36 0.96 1.54 1.75 0.36 -4.88 119.30 125.98 2kuf s MET 563 Ca 0.72 1.68 -0.12 0.00 -1.25 0.00 0.00 55.69 56.71 2kuf s MET 563 Cb -0.38 -3.53 0.17 0.00 2.84 0.00 0.00 34.83 33.92 2kuf s MET 563 CO 0.31 -0.42 1.11 -1.25 -0.65 0.00 0.00 175.02 174.12 2kuf s PRO 564 N 2.07 0.72 0.05 4.11 0.04 -1.26 -1.06 135.00 139.67 2kuf s PRO 564 Ca 0.56 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2kuf s PRO 564 Cb -0.25 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2kuf s PRO 564 CO 0.23 -2.51 1.16 0.16 0.04 0.00 0.00 177.00 176.07 2kuf s ASP 565 N -3.70 7.14 0.00 6.66 -4.77 -1.26 -4.63 116.67 116.11 2kuf s ASP 565 Ca 0.65 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.84 2kuf s ASP 565 Cb -0.17 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 2kuf s ASP 565 CO 0.56 -0.43 0.88 0.00 0.70 0.00 0.00 175.17 176.88 2kuf n LEU 566 N 3.91 0.00 -4.72 2.11 -0.00 -1.26 -5.07 117.00 111.97 2kuf n LEU 566 Ca 0.08 -0.83 -0.42 0.00 -0.00 0.00 0.00 56.01 54.85 2kuf n LEU 566 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.86 2kuf n LEU 566 CO 0.55 0.25 0.70 -0.44 -0.00 0.00 0.00 177.39 178.45 2kuf s SER 567 N -0.77 7.39 -1.06 1.45 0.01 -1.26 -3.88 113.70 115.57 2kuf s SER 567 Ca 0.00 1.78 -0.07 0.00 1.31 0.00 0.00 55.95 58.97 2kuf s SER 567 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kuf s SER 567 CO 0.00 -0.20 0.89 0.61 0.41 0.00 0.00 173.24 174.95 2kuf n GLY 568 N 2.62 -0.21 2.62 3.44 0.00 -1.26 -5.00 105.19 107.39 2kuf n GLY 568 Ca 0.05 0.04 -0.20 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 -3.94 0.73 -3.07 1.61 0.00 -1.25 -4.78 117.12 106.41 2kuf n MET 569 Ca 0.00 -2.69 -0.23 0.00 0.00 0.00 0.00 57.70 54.78 2kuf n MET 569 Cb 0.55 1.34 0.01 0.00 0.00 0.00 0.00 33.22 35.11 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 -2.68 3.28 0.41 3.17 0.40 -1.22 -1.17 117.98 120.17 2kuf s PHE 570 Ca 0.13 0.26 0.10 0.00 -0.60 0.00 0.00 56.93 56.82 2kuf s PHE 570 Cb 0.01 -2.22 0.85 0.00 0.51 0.00 0.00 43.02 42.17 2kuf s PHE 570 CO 0.09 -0.25 1.97 2.35 0.70 0.00 0.00 175.22 180.08 2kuf h TRP 571 N 0.48 0.27 0.00 0.36 2.91 -1.96 -1.28 115.95 116.73 2kuf h TRP 571 Ca -0.47 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.53 2kuf h TRP 571 Cb 1.24 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.81 2kuf h TRP 571 CO 0.47 0.32 0.00 1.55 -1.03 0.00 0.00 178.44 179.75 2kuf n VAL 572 N -4.34 0.64 -0.12 2.65 3.14 -1.26 -0.68 118.33 118.35 2kuf n VAL 572 Ca -0.00 0.14 -0.21 0.00 -2.96 0.00 0.00 64.34 61.31 2kuf n VAL 572 Cb 0.21 -0.83 -0.10 0.00 -1.06 0.00 0.00 33.84 32.06 2kuf n VAL 572 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kuf n ASP 573 N -1.58 2.00 0.09 6.55 -0.08 -0.70 -4.46 116.55 118.38 2kuf n ASP 573 Ca 0.05 0.04 -0.13 0.00 -1.51 0.00 0.00 54.79 53.24 2kuf n ASP 573 Cb 0.24 -0.53 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kuf h ALA 574 N -0.36 -0.17 -0.17 -1.67 0.00 -1.06 -2.81 119.26 113.02 2kuf h ALA 574 Ca -0.59 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2kuf h ALA 574 Cb 1.74 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 2kuf h ALA 574 CO -0.21 -0.52 -0.28 1.49 0.00 0.00 0.00 179.25 179.73 2kuf h GLU 575 N -0.31 -0.32 -0.84 0.00 4.81 -1.15 0.13 114.58 116.90 2kuf h GLU 575 Ca -0.02 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2kuf h GLU 575 Cb 0.25 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2kuf h GLU 575 CO 0.03 -0.21 0.56 -1.35 -0.73 0.00 0.00 179.01 177.30 2kuf h PRO 576 N -0.33 1.08 -0.42 0.92 0.11 -1.78 -1.22 132.00 130.36 2kuf h PRO 576 Ca 0.11 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 2kuf h PRO 576 Cb 0.50 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 2kuf h PRO 576 CO -0.35 0.71 -0.14 0.00 -0.21 0.00 0.00 178.00 178.01 2kuf h ARG 577 N 1.11 0.76 -0.15 1.05 3.08 -1.04 0.80 114.38 120.00 2kuf h ARG 577 Ca 0.32 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2kuf h ARG 577 Cb -0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2kuf h ARG 577 CO -0.08 0.86 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.60 2kuf h LEU 578 N 0.68 0.27 -1.09 3.04 3.38 -0.18 0.13 115.31 121.55 2kuf h LEU 578 Ca 0.11 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2kuf h LEU 578 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2kuf h LEU 578 CO 0.04 0.54 -0.12 0.08 0.09 0.00 0.00 178.44 179.07 2kuf h ARG 579 N -0.01 0.50 -0.10 1.13 0.11 -1.15 -0.74 114.38 114.12 2kuf h ARG 579 Ca 0.04 -0.14 -0.10 0.00 0.10 0.00 0.00 59.98 59.88 2kuf h ARG 579 Cb 0.41 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2kuf h ARG 579 CO 0.01 0.62 -0.37 0.00 0.10 0.00 0.00 179.97 180.33 2kuf h ALA 580 N 1.41 1.19 -0.00 0.08 0.00 -0.52 -1.10 119.26 120.32 2kuf h ALA 580 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kuf h ALA 580 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kuf h ALA 580 CO 0.03 0.55 -0.03 1.47 0.00 0.00 0.00 179.25 181.27 2kuf n LEU 581 N -4.06 0.07 -0.17 0.00 -0.00 0.01 -4.90 117.00 107.95 2kuf n LEU 581 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2kuf n LEU 581 Cb 0.44 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2kuf n LEU 581 CO 0.41 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.42 2kuf n GLY 582 N 1.35 0.90 3.72 1.47 0.00 -0.42 -5.02 105.19 107.19 2kuf n GLY 582 Ca 0.12 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 3.17 -0.07 1.61 -0.00 -0.32 -4.91 118.94 116.07 2kuf s TRP 583 Ca 0.00 0.86 0.17 0.00 -0.00 0.00 0.00 56.10 57.13 2kuf s TRP 583 Cb 0.00 -3.77 -0.26 0.00 -0.00 0.00 0.00 33.47 29.44 2kuf s TRP 583 CO 0.00 -2.74 0.29 0.25 -0.00 0.00 0.00 176.95 174.76 2kuf n THR 584 N 3.77 0.37 -1.27 5.86 -2.24 -1.26 -4.80 114.28 114.70 2kuf n THR 584 Ca 0.12 -0.51 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 2kuf n THR 584 Cb 0.41 -0.12 0.13 0.00 -2.10 0.00 0.00 70.33 68.66 2kuf n THR 584 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kuf n GLY 585 N 1.62 -1.87 3.46 3.38 0.00 -0.75 -5.07 105.19 105.96 2kuf n GLY 585 Ca -0.11 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2kuf n GLY 585 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2kuf s MET 586 N -4.66 2.37 -0.14 1.61 1.75 -1.26 -5.00 119.30 113.97 2kuf s MET 586 Ca 0.44 -0.78 -0.24 0.00 -1.25 0.00 0.00 55.69 53.86 2kuf s MET 586 Cb -0.02 -2.31 -0.02 0.00 2.84 0.00 0.00 34.83 35.32 2kuf s MET 586 CO 0.32 0.60 0.77 -1.17 -0.65 0.00 0.00 175.02 174.89 2kuf s LEU 587 N -0.91 4.22 -0.51 4.11 0.20 -1.26 -4.48 118.68 120.04 2kuf s LEU 587 Ca 0.12 1.14 -0.18 0.00 0.69 0.00 0.00 54.13 55.90 2kuf s LEU 587 Cb -0.11 -3.15 0.07 0.00 -0.43 0.00 0.00 46.19 42.58 2kuf s LEU 587 CO 0.02 -0.29 0.58 -1.81 -0.29 0.00 0.00 176.35 174.56 2kuf s ASP 588 N 1.06 6.20 -0.11 3.68 1.01 -1.11 -5.02 116.67 122.37 2kuf s ASP 588 Ca 0.37 -1.13 -0.00 0.00 0.71 0.00 0.00 52.55 52.50 2kuf s ASP 588 Cb -0.17 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2kuf s ASP 588 CO 0.14 -0.87 -0.10 -1.59 0.21 0.00 0.00 175.17 172.97 2kuf s LYS 589 N 2.36 3.19 -0.11 8.23 0.00 -1.26 -1.67 119.74 130.49 2kuf s LYS 589 Ca 0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 55.97 55.46 2kuf s LYS 589 Cb -0.22 -2.65 -0.07 0.00 0.00 0.00 0.00 37.83 34.90 2kuf s LYS 589 CO 0.09 0.37 -0.11 0.41 0.00 0.00 0.00 175.35 176.12 2kuf n GLY 590 N 3.08 -0.16 2.84 0.59 0.00 -1.25 -5.04 105.19 105.25 2kuf n GLY 590 Ca -0.18 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2kuf n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kuf s ALA 591 N -2.22 0.10 -0.19 4.61 0.00 -1.26 -5.11 121.76 117.69 2kuf s ALA 591 Ca -0.15 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 2kuf s ALA 591 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2kuf s ALA 591 CO 0.24 -0.03 0.55 -0.51 0.00 0.00 0.00 175.76 176.01 2kuf s ASP 592 N 0.45 6.61 0.18 0.00 1.11 -1.26 -4.03 116.67 119.73 2kuf s ASP 592 Ca -0.04 0.74 0.05 0.00 0.18 0.00 0.00 52.55 53.48 2kuf s ASP 592 Cb -0.06 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 2kuf s ASP 592 CO -0.01 -0.19 0.18 -0.69 1.18 0.00 0.00 175.17 175.63 2kuf s VAL 593 N 1.64 4.61 0.03 -1.27 1.01 -0.89 -4.83 120.40 120.69 2kuf s VAL 593 Ca 0.26 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2kuf s VAL 593 Cb -0.16 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2kuf s VAL 593 CO 0.10 -0.17 1.34 1.51 0.00 0.00 0.00 175.10 177.88 2kuf s ASP 594 N -3.32 6.91 0.27 3.32 -4.77 -1.26 -0.26 116.67 117.56 2kuf s ASP 594 Ca 0.32 2.10 0.00 0.00 -3.30 0.00 0.00 52.55 51.67 2kuf s ASP 594 Cb -0.10 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2kuf s ASP 594 CO 0.25 -0.65 0.00 0.00 0.70 0.00 0.00 175.17 175.47 2kuf n ALA 595 N 4.83 1.75 0.00 2.11 0.00 -1.26 -4.80 120.51 123.14 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.25 3.28 0.29 0.00 0.00 0.37 -4.65 105.19 104.73 2kuf n GLY 596 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 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 0.76 2.00 -0.02 0.00 -1.83 -0.56 103.07 103.42 2kuf h GLY 597 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 2kuf h GLY 597 CO 0.00 0.41 -0.32 1.76 0.00 0.00 0.00 176.54 178.38 2kuf h SER 598 N 0.68 0.00 0.14 0.19 0.02 -1.92 -2.24 113.55 110.42 2kuf h SER 598 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2kuf h SER 598 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2kuf h SER 598 CO 0.00 0.32 -0.10 0.00 -1.14 0.00 0.00 176.83 175.92 2kuf n GLN 599 N -3.29 1.16 -0.22 3.45 1.13 -0.65 -5.00 117.38 113.95 2kuf n GLN 599 Ca 0.01 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.49 2kuf n GLN 599 Cb 0.57 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.41 0.00 -2.23 1.08 8.25 -0.31 -4.85 115.22 116.74 2kuf n HIS 600 Ca 0.17 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 2kuf n HIS 600 Cb 0.31 -1.60 -0.03 0.00 1.12 0.00 0.00 29.99 29.78 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 -0.48 5.62 0.09 0.41 2.20 -1.25 -4.74 114.94 116.78 2kuf s ASN 601 Ca 0.00 -0.34 0.01 0.00 -0.94 0.00 0.00 52.86 51.59 2kuf s ASN 601 Cb 0.00 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 2kuf s ASN 601 CO 0.00 -2.22 0.23 -0.13 -2.94 0.00 0.00 177.10 172.04 2kuf s ARG 602 N 6.45 3.42 0.18 3.55 1.81 -1.26 -3.42 118.95 129.68 2kuf s ARG 602 Ca 0.57 -0.50 -0.31 0.00 -1.72 0.00 0.00 55.73 53.78 2kuf s ARG 602 Cb -0.08 -3.01 -0.10 0.00 -0.45 0.00 0.00 34.95 31.31 2kuf s ARG 602 CO 0.10 0.58 1.49 0.54 -0.68 0.00 0.00 175.30 177.33 2kuf s VAL 603 N -1.58 2.76 -0.11 3.52 0.11 -0.32 -0.71 120.40 124.07 2kuf s VAL 603 Ca 0.35 0.58 0.16 0.00 -2.93 0.00 0.00 61.98 60.13 2kuf s VAL 603 Cb -0.12 -3.37 -0.23 0.00 -1.53 0.00 0.00 36.38 31.12 2kuf s VAL 603 CO 0.28 0.06 0.18 1.33 -3.33 0.00 0.00 175.10 173.63 2kuf n VAL 604 N 3.42 0.71 -3.68 2.04 0.24 0.15 -4.49 118.33 116.72 2kuf n VAL 604 Ca 0.11 -0.59 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 2kuf n VAL 604 Cb 0.40 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.37 2kuf n VAL 604 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2kuf s TYR 605 N -2.72 -0.65 -0.01 6.34 5.04 -0.95 -5.03 117.35 119.36 2kuf s TYR 605 Ca -0.08 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 2kuf s TYR 605 Cb 0.07 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.63 2kuf s TYR 605 CO 0.71 -0.32 -0.08 1.14 -1.34 0.00 0.00 175.55 175.65 2kuf s GLN 606 N 0.51 0.69 -0.05 4.97 -2.07 -1.26 -0.45 119.66 122.01 2kuf s GLN 606 Ca -0.02 -0.29 -0.25 0.00 -1.82 0.00 0.00 55.36 52.98 2kuf s GLN 606 Cb -0.04 -0.66 -0.20 0.00 -1.09 0.00 0.00 33.01 31.02 2kuf s GLN 606 CO -0.02 0.17 1.08 -0.97 -1.32 0.00 0.00 175.29 174.22 2kuf h ASN 607 N 6.00 -0.07 -3.53 12.60 -0.73 -1.24 -3.42 115.58 125.19 2kuf h ASN 607 Ca -0.30 -0.51 -0.61 0.00 1.87 0.00 0.00 56.30 56.75 2kuf h ASN 607 Cb 1.18 0.02 -0.12 0.00 0.27 0.00 0.00 38.32 39.67 2kuf h ASN 607 CO 0.50 0.51 -0.04 -2.16 -0.37 0.00 0.00 177.43 175.86 2kuf s PRO 608 N -3.74 4.13 0.61 6.67 0.04 -1.26 -5.07 135.00 136.38 2kuf s PRO 608 Ca -0.15 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.07 2kuf s PRO 608 Cb 0.01 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.92 2kuf s PRO 608 CO 0.61 -0.24 1.11 -2.14 0.04 0.00 0.00 177.00 176.38 2kuf s PRO 609 N 1.94 3.05 0.21 0.56 0.02 -1.26 -4.98 135.00 134.54 2kuf s PRO 609 Ca 0.22 1.44 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 2kuf s PRO 609 Cb -0.15 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 2kuf s PRO 609 CO 0.09 -1.06 1.47 0.00 -0.33 0.00 0.00 177.00 177.17 2kuf s ALA 610 N -2.17 3.67 0.00 -1.55 0.00 -1.26 -2.13 121.76 118.32 2kuf s ALA 610 Ca 0.68 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2kuf s ALA 610 Cb -0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2kuf s ALA 610 CO 0.36 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kuf n GLY 611 N 2.78 0.44 3.89 0.00 0.00 -0.23 -5.00 105.19 107.07 2kuf n GLY 611 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.87 -0.07 2.61 2.01 -0.90 -4.66 115.64 117.50 2kuf s THR 612 Ca 0.00 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2kuf s THR 612 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2kuf s THR 612 CO 0.00 -0.51 1.02 -0.83 -0.69 0.00 0.00 174.62 173.61 2kuf s GLY 613 N -3.31 2.46 -0.02 4.40 0.00 -1.26 -0.48 107.32 109.11 2kuf s GLY 613 Ca 0.48 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.69 2kuf s GLY 613 CO 0.33 1.89 -0.13 -1.34 0.00 0.00 0.00 173.10 173.85 2kuf s VAL 614 N 1.78 3.14 1.10 1.40 -7.23 0.54 -4.84 120.40 116.29 2kuf s VAL 614 Ca 0.50 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 2kuf s VAL 614 Cb -0.20 -2.28 0.12 0.00 0.56 0.00 0.00 36.38 34.59 2kuf s VAL 614 CO 0.21 0.50 0.23 -0.46 -0.31 0.00 0.00 175.10 175.26 2kuf n ASN 615 N 1.99 -2.19 0.25 4.85 6.94 -1.26 -0.58 115.26 125.25 2kuf n ASN 615 Ca -0.17 -0.05 0.17 0.00 -0.02 0.00 0.00 54.58 54.51 2kuf n ASN 615 Cb 0.52 -1.05 0.89 0.00 -2.36 0.00 0.00 39.78 37.79 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 -2.08 0.00 -0.00 -3.83 0.11 -1.17 0.37 114.38 107.78 2kuf h ARG 616 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2kuf h ARG 616 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2kuf h ARG 616 CO 0.39 0.00 -0.12 -3.47 0.10 0.00 0.00 179.97 176.88 2kuf n ASP 617 N -3.69 0.14 -0.89 0.08 2.03 -1.26 -4.86 116.55 108.09 2kuf n ASP 617 Ca -0.00 0.24 -0.12 0.00 0.52 0.00 0.00 54.79 55.43 2kuf n ASP 617 Cb 0.24 -0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 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 1.48 1.24 3.66 0.27 0.00 0.13 -1.80 105.19 110.16 2kuf n GLY 618 Ca 0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 3.82 -0.10 -0.61 -1.16 -1.26 -4.86 121.20 114.70 2kuf s ILE 619 Ca 0.00 0.98 0.02 0.00 -0.51 0.00 0.00 60.65 61.14 2kuf s ILE 619 Cb 0.00 -3.65 -0.01 0.00 0.61 0.00 0.00 42.46 39.41 2kuf s ILE 619 CO 0.00 -0.11 -0.19 0.27 -2.81 0.00 0.00 174.94 172.10 2kuf s ILE 620 N 3.98 2.57 -0.28 2.00 -5.25 -1.26 -4.83 121.20 118.12 2kuf s ILE 620 Ca 0.67 -0.85 -0.09 0.00 -0.99 0.00 0.00 60.65 59.40 2kuf s ILE 620 Cb -0.29 -2.03 -0.02 0.00 2.95 0.00 0.00 42.46 43.08 2kuf s ILE 620 CO 0.25 0.55 0.12 -0.89 -1.79 0.00 0.00 174.94 173.18 2kuf s THR 621 N 0.21 4.55 0.14 8.37 2.01 -1.26 -2.75 115.64 126.91 2kuf s THR 621 Ca -0.12 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2kuf s THR 621 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2kuf s THR 621 CO 0.06 0.20 0.06 -1.48 -0.69 0.00 0.00 174.62 172.77 2kuf s LEU 622 N 1.63 1.72 0.00 4.42 0.05 -0.67 -0.59 118.68 125.24 2kuf s LEU 622 Ca 0.06 -1.23 0.00 0.00 0.05 0.00 0.00 54.13 53.01 2kuf s LEU 622 Cb -0.16 0.29 -0.00 0.00 -2.05 0.00 0.00 46.19 44.26 2kuf s LEU 622 CO 0.06 -0.73 -0.01 0.00 -0.55 0.00 0.00 176.35 175.11 2kuf s ARG 623 N -4.05 0.08 0.28 1.48 1.70 0.41 -3.96 118.95 114.88 2kuf s ARG 623 Ca 0.26 -0.08 0.05 0.00 -0.47 0.00 0.00 55.73 55.49 2kuf s ARG 623 Cb 0.07 -0.04 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 2kuf s ARG 623 CO 0.03 0.01 -0.01 -0.59 -1.08 0.00 0.00 175.30 173.66 2kuf s PHE 624 N -0.15 1.84 0.59 5.89 -0.71 -1.26 -0.67 117.98 123.52 2kuf s PHE 624 Ca -0.01 -0.84 -0.17 0.00 -1.04 0.00 0.00 56.93 54.87 2kuf s PHE 624 Cb -0.01 -1.10 -0.03 0.00 -1.21 0.00 0.00 43.02 40.67 2kuf s PHE 624 CO -0.00 0.11 1.09 0.20 -1.34 0.00 0.00 175.22 175.28 2kuf s GLY 625 N -3.41 2.28 0.00 1.99 0.00 0.11 -2.10 107.32 106.19 2kuf s GLY 625 Ca 0.31 0.56 0.29 0.00 0.00 0.00 0.00 44.72 45.88 2kuf s GLY 625 CO 0.12 0.90 1.91 0.61 0.00 0.00 0.00 173.10 176.64