#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 4.10 0.00 1.61 0.02 -1.26 -4.93 135.00 134.55 2kuf s PRO 492 Ca 0.00 2.07 0.23 0.00 0.02 0.00 0.00 61.00 63.32 2kuf s PRO 492 Cb 0.00 -2.82 0.11 0.00 0.02 0.00 0.00 34.50 31.80 2kuf s PRO 492 CO 0.00 -0.35 1.14 0.00 -0.33 0.00 0.00 177.00 177.46 2kuf n ALA 493 N 0.31 4.02 -2.88 -1.55 0.00 -1.26 -4.81 120.51 114.33 2kuf n ALA 493 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2kuf n ALA 493 Cb 0.44 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.82 0.33 -0.01 0.00 -4.23 -1.26 -0.42 115.64 107.23 2kuf s THR 494 Ca 0.13 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 2kuf s THR 494 Cb 0.17 -0.39 -0.01 0.00 1.34 0.00 0.00 72.50 73.61 2kuf s THR 494 CO 0.72 -0.30 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.81 2kuf s LYS 495 N -1.14 1.31 -0.16 3.99 -0.14 0.10 -4.79 119.74 118.92 2kuf s LYS 495 Ca -0.09 -0.57 -0.14 0.00 -1.36 0.00 0.00 55.97 53.81 2kuf s LYS 495 Cb -0.08 -1.26 -0.05 0.00 -1.68 0.00 0.00 37.83 34.77 2kuf s LYS 495 CO -0.00 0.34 0.30 0.16 -0.76 0.00 0.00 175.35 175.39 2kuf s ASP 496 N -0.36 6.45 -0.15 2.83 -4.77 -1.26 -0.45 116.67 118.94 2kuf s ASP 496 Ca 0.06 0.52 -0.19 0.00 -3.30 0.00 0.00 52.55 49.64 2kuf s ASP 496 Cb -0.06 -2.19 -0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2kuf s ASP 496 CO -0.01 0.10 0.52 0.27 0.70 0.00 0.00 175.17 176.76 2kuf s ILE 497 N 0.45 5.13 0.86 2.11 -4.36 -0.67 -4.93 121.20 119.78 2kuf s ILE 497 Ca 0.17 1.01 -0.10 0.00 -0.26 0.00 0.00 60.65 61.47 2kuf s ILE 497 Cb -0.13 -3.86 0.19 0.00 1.25 0.00 0.00 42.46 39.91 2kuf s ILE 497 CO 0.04 0.24 1.17 -0.81 0.24 0.00 0.00 174.94 175.82 2kuf n PRO 498 N 4.26 -0.84 -2.66 0.37 -0.04 -1.26 0.43 135.00 135.26 2kuf n PRO 498 Ca -0.05 -2.21 -0.42 0.00 -0.04 0.00 0.00 63.50 60.78 2kuf n PRO 498 Cb 0.51 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 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 -5.42 6.30 0.00 3.54 -4.77 -1.26 -4.76 116.67 110.30 2kuf s ASP 499 Ca 0.70 -0.30 0.22 0.00 -3.30 0.00 0.00 52.55 49.87 2kuf s ASP 499 Cb -0.03 -2.51 0.53 0.00 -1.09 0.00 0.00 42.92 39.82 2kuf s ASP 499 CO 0.48 -1.54 1.46 1.33 0.70 0.00 0.00 175.17 177.60 2kuf n VAL 500 N 6.39 0.77 -2.59 2.11 0.24 -1.26 -4.87 118.33 119.12 2kuf n VAL 500 Ca 0.04 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.04 2kuf n VAL 500 Cb 0.48 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.21 2.88 0.00 2.33 0.00 -1.26 -3.55 121.76 120.95 2kuf s ALA 501 Ca 0.43 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2kuf s ALA 501 Cb 0.24 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2kuf s ALA 501 CO 0.32 -2.97 0.00 0.41 0.00 0.00 0.00 175.76 173.52 2kuf n GLY 502 N 5.23 1.57 1.24 0.00 0.00 -0.74 -4.92 105.19 107.57 2kuf n GLY 502 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.52 -1.79 1.61 0.00 -1.23 -4.87 117.38 111.62 2kuf n GLN 503 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 57.00 55.77 2kuf n GLN 503 Cb 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 30.24 30.11 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 -0.64 3.29 0.19 -0.39 2.01 -1.26 -2.23 115.64 116.60 2kuf s THR 504 Ca 0.21 0.60 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 2kuf s THR 504 Cb -0.01 -3.13 0.10 0.00 0.01 0.00 0.00 72.50 69.47 2kuf s THR 504 CO 0.14 -0.37 1.75 1.62 -0.69 0.00 0.00 174.62 177.07 2kuf h VAL 505 N 0.08 1.24 -0.53 3.82 3.04 -0.89 0.20 116.25 123.22 2kuf h VAL 505 Ca -0.47 -0.72 -0.02 0.00 -1.01 0.00 0.00 66.70 64.48 2kuf h VAL 505 Cb 1.24 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 2kuf h VAL 505 CO 0.54 0.29 0.26 -0.78 -1.01 0.00 0.00 177.57 176.88 2kuf h ASP 506 N 0.93 0.68 -0.48 3.17 3.58 -1.92 0.20 116.42 122.58 2kuf h ASP 506 Ca 0.22 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 2kuf h ASP 506 Cb 0.19 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2kuf h ASP 506 CO -0.02 0.61 -0.04 0.58 -2.88 0.00 0.00 179.24 177.49 2kuf h VAL 507 N 0.71 1.27 -0.51 2.25 2.07 -1.83 0.23 116.25 120.43 2kuf h VAL 507 Ca 0.18 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2kuf h VAL 507 Cb 0.10 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2kuf h VAL 507 CO -0.02 0.39 0.30 0.00 0.02 0.00 0.00 177.57 178.25 2kuf h ALA 508 N 0.91 0.65 -0.43 1.67 0.00 -0.14 0.22 119.26 122.14 2kuf h ALA 508 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2kuf h ALA 508 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kuf h ALA 508 CO 0.03 0.15 0.08 1.96 0.00 0.00 0.00 179.25 181.47 2kuf h GLN 509 N 0.68 0.70 -0.24 0.00 4.20 -0.08 0.20 115.11 120.58 2kuf h GLN 509 Ca 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kuf h GLN 509 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2kuf h GLN 509 CO -0.03 0.73 0.10 0.87 -0.67 0.00 0.00 178.83 179.83 2kuf h LYS 510 N 0.56 0.35 -0.60 1.46 1.79 -0.37 0.48 116.57 120.24 2kuf h LYS 510 Ca 0.13 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 2kuf h LYS 510 Cb 0.36 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2kuf h LYS 510 CO 0.01 0.38 0.15 -0.91 -1.08 0.00 0.00 179.45 178.00 2kuf h ASN 511 N 0.24 0.87 -0.17 0.86 2.35 -0.29 -0.87 115.58 118.57 2kuf h ASN 511 Ca 0.08 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2kuf h ASN 511 Cb 0.16 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2kuf h ASN 511 CO -0.01 0.85 -0.10 0.25 -1.65 0.00 0.00 177.43 176.77 2kuf h LEU 512 N 0.90 0.38 -1.19 1.61 7.12 -0.44 -3.19 115.31 120.50 2kuf h LEU 512 Ca 0.19 -0.43 0.01 0.00 0.13 0.00 0.00 57.88 57.79 2kuf h LEU 512 Cb 0.32 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 2kuf h LEU 512 CO -0.00 0.73 0.54 -1.13 -0.13 0.00 0.00 178.44 178.45 2kuf h ASN 513 N 0.04 0.94 -0.82 1.25 -0.00 -0.25 0.43 115.58 117.18 2kuf h ASN 513 Ca 0.04 -0.02 0.06 0.00 -0.00 0.00 0.00 56.30 56.37 2kuf h ASN 513 Cb 0.59 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.62 2kuf h ASN 513 CO 0.03 0.68 0.54 0.58 -0.00 0.00 0.00 177.43 179.26 2kuf h VAL 514 N 1.11 1.05 -0.05 2.57 2.07 -1.17 0.31 116.25 122.15 2kuf h VAL 514 Ca 0.30 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2kuf h VAL 514 Cb -0.13 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2kuf h VAL 514 CO -0.07 0.17 0.00 -1.22 0.02 0.00 0.00 177.57 176.47 2kuf n TYR 515 N -4.48 0.05 0.00 1.57 4.01 -0.79 -4.69 117.16 112.83 2kuf n TYR 515 Ca 0.12 -0.05 -0.03 0.00 -0.16 0.00 0.00 57.90 57.79 2kuf n TYR 515 Cb 0.21 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.67 -0.20 2.35 2.72 0.00 0.15 -4.91 105.19 105.96 2kuf n GLY 516 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.76 0.00 -1.80 1.61 3.72 0.10 -4.93 117.46 112.41 2kuf n PHE 517 Ca -0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.18 2kuf n PHE 517 Cb 0.16 -1.55 0.12 0.00 -0.94 0.00 0.00 39.48 37.27 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 -2.65 0.00 -4.38 4.37 -2.24 -1.26 -4.97 114.28 103.15 2kuf n THR 518 Ca -0.06 -0.71 -0.33 0.00 -2.27 0.00 0.00 64.05 60.68 2kuf n THR 518 Cb 0.29 -1.54 -0.10 0.00 -2.10 0.00 0.00 70.33 66.88 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 -4.66 2.77 0.09 -0.78 3.01 -1.06 -4.91 119.74 114.21 2kuf s LYS 519 Ca 0.46 -0.59 0.09 0.00 -1.01 0.00 0.00 55.97 54.92 2kuf s LYS 519 Cb -0.02 -2.64 -0.03 0.00 -1.01 0.00 0.00 37.83 34.13 2kuf s LYS 519 CO 0.32 0.64 -0.23 -0.59 0.51 0.00 0.00 175.35 176.00 2kuf s PHE 520 N -0.99 1.99 -0.00 3.18 -0.12 -1.26 -0.12 117.98 120.65 2kuf s PHE 520 Ca 0.17 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.67 2kuf s PHE 520 Cb -0.11 -1.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.16 2kuf s PHE 520 CO 0.07 0.22 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.86 2kuf s SER 521 N -1.77 0.72 -0.13 1.98 1.04 0.11 -4.86 113.70 110.79 2kuf s SER 521 Ca 0.09 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2kuf s SER 521 Cb -0.10 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2kuf s SER 521 CO 0.04 0.07 -0.18 0.00 0.98 0.00 0.00 173.24 174.15 2kuf s GLN 522 N -0.18 3.17 0.01 4.02 -2.07 -1.26 -0.17 119.66 123.19 2kuf s GLN 522 Ca 0.02 -0.79 0.06 0.00 -1.82 0.00 0.00 55.36 52.84 2kuf s GLN 522 Cb -0.03 -2.52 -0.03 0.00 -1.09 0.00 0.00 33.01 29.35 2kuf s GLN 522 CO -0.00 0.09 -0.18 0.00 -1.32 0.00 0.00 175.29 173.87 2kuf s ALA 523 N 0.62 2.56 -0.08 2.60 0.00 -0.14 -4.95 121.76 122.37 2kuf s ALA 523 Ca -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.77 2kuf s ALA 523 Cb -0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2kuf s ALA 523 CO 0.03 0.56 -0.23 -1.54 0.00 0.00 0.00 175.76 174.58 2kuf s SER 524 N -1.18 3.17 0.12 0.00 1.04 -1.26 0.13 113.70 115.72 2kuf s SER 524 Ca 0.13 -0.51 0.10 0.00 0.48 0.00 0.00 55.95 56.15 2kuf s SER 524 Cb -0.10 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 2kuf s SER 524 CO 0.03 0.20 -0.25 0.54 0.98 0.00 0.00 173.24 174.75 2kuf s VAL 525 N 0.08 2.08 0.17 5.02 0.11 0.25 -4.91 120.40 123.21 2kuf s VAL 525 Ca -0.11 -1.69 -0.30 0.00 -2.93 0.00 0.00 61.98 56.95 2kuf s VAL 525 Cb -0.16 -1.86 -0.07 0.00 -1.53 0.00 0.00 36.38 32.76 2kuf s VAL 525 CO 0.06 0.04 0.96 1.51 -3.33 0.00 0.00 175.10 174.35 2kuf s ASP 526 N -2.01 7.54 -0.00 3.54 -4.77 -1.26 -0.05 116.67 119.66 2kuf s ASP 526 Ca 0.12 1.88 -0.28 0.00 -3.30 0.00 0.00 52.55 50.97 2kuf s ASP 526 Cb -0.10 -2.60 0.09 0.00 -1.09 0.00 0.00 42.92 39.22 2kuf s ASP 526 CO 0.05 0.01 0.76 -0.44 0.70 0.00 0.00 175.17 176.26 2kuf s SER 527 N -0.48 -0.51 0.30 2.11 0.01 0.06 -4.83 113.70 110.36 2kuf s SER 527 Ca 0.45 0.30 0.21 0.00 1.31 0.00 0.00 55.95 58.22 2kuf s SER 527 Cb -0.25 0.48 1.12 0.00 0.21 0.00 0.00 66.02 67.58 2kuf s SER 527 CO 0.31 -0.66 1.65 -0.81 0.41 0.00 0.00 173.24 174.14 2kuf n PRO 528 N 0.25 0.14 -2.32 12.44 -0.04 -1.26 -3.45 135.00 140.77 2kuf n PRO 528 Ca -0.14 0.61 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 2kuf n PRO 528 Cb 0.60 -1.94 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.51 3.92 0.47 0.54 0.52 -1.26 -4.82 118.95 114.81 2kuf s ARG 529 Ca -0.01 1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 56.71 2kuf s ARG 529 Cb 0.07 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.95 2kuf s ARG 529 CO 0.22 -0.41 1.33 -1.25 0.02 0.00 0.00 175.30 175.22 2kuf s PRO 530 N -2.54 3.60 -0.53 3.54 0.04 -1.26 -2.27 135.00 135.58 2kuf s PRO 530 Ca 0.60 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 2kuf s PRO 530 Cb -0.28 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2kuf s PRO 530 CO 0.35 -0.81 2.18 0.00 0.04 0.00 0.00 177.00 178.76 2kuf s ALA 531 N -1.30 1.88 0.00 8.56 0.00 -1.20 -2.59 121.76 127.10 2kuf s ALA 531 Ca 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2kuf s ALA 531 Cb -0.39 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.41 2kuf s ALA 531 CO 0.48 -4.19 0.00 0.41 0.00 0.00 0.00 175.76 172.47 2kuf n GLY 532 N 5.87 0.30 3.75 0.00 0.00 -1.12 -4.93 105.19 109.06 2kuf n GLY 532 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 4.79 -0.37 1.61 2.12 -1.07 -0.23 118.70 125.55 2kuf s GLU 533 Ca 0.00 1.43 -0.18 0.00 0.36 0.00 0.00 54.97 56.58 2kuf s GLU 533 Cb 0.00 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2kuf s GLU 533 CO 0.00 0.47 0.52 0.54 -0.54 0.00 0.00 175.26 176.24 2kuf s VAL 534 N -0.94 5.01 -2.12 3.70 0.11 -0.95 -1.42 120.40 123.78 2kuf s VAL 534 Ca 0.41 0.24 0.23 0.00 -2.93 0.00 0.00 61.98 59.93 2kuf s VAL 534 Cb -0.25 -3.99 0.59 0.00 -1.53 0.00 0.00 36.38 31.20 2kuf s VAL 534 CO 0.31 -0.27 1.51 0.41 -3.33 0.00 0.00 175.10 173.72 2kuf n THR 535 N 5.47 0.86 0.00 5.04 -1.04 -0.02 -1.79 114.28 122.80 2kuf n THR 535 Ca -0.05 -0.92 0.00 0.00 -2.04 0.00 0.00 64.05 61.04 2kuf n THR 535 Cb 0.49 0.61 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 2kuf n THR 535 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kuf n GLY 536 N 1.63 1.38 3.45 3.41 0.00 -1.18 -4.91 105.19 108.96 2kuf n GLY 536 Ca 0.23 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.96 2.38 0.01 2.61 -4.23 -1.26 0.09 115.64 113.28 2kuf s THR 537 Ca 0.00 -2.28 -0.25 0.00 -1.18 0.00 0.00 61.69 57.98 2kuf s THR 537 Cb 0.00 -2.22 -0.17 0.00 1.34 0.00 0.00 72.50 71.45 2kuf s THR 537 CO 0.00 -0.33 1.23 -1.13 -0.54 0.00 0.00 174.62 173.85 2kuf h ASN 538 N 2.57 -0.32 -3.89 3.99 -0.00 -1.82 -3.43 115.58 112.67 2kuf h ASN 538 Ca -0.42 -0.19 -0.49 0.00 -0.00 0.00 0.00 56.30 55.20 2kuf h ASN 538 Cb 1.24 0.08 0.02 0.00 -0.00 0.00 0.00 38.32 39.67 2kuf h ASN 538 CO 0.57 0.04 0.45 -2.84 -0.00 0.00 0.00 177.43 175.65 2kuf s PRO 539 N -4.63 4.35 0.74 6.67 0.02 -1.26 -5.02 135.00 135.87 2kuf s PRO 539 Ca -0.14 1.67 -0.12 0.00 0.02 0.00 0.00 61.00 62.43 2kuf s PRO 539 Cb 0.02 -2.83 0.04 0.00 0.02 0.00 0.00 34.50 31.75 2kuf s PRO 539 CO 0.55 -0.01 1.11 -1.25 -0.33 0.00 0.00 177.00 177.07 2kuf s PRO 540 N -2.02 2.35 0.33 5.54 0.04 -1.26 -4.97 135.00 135.00 2kuf s PRO 540 Ca 0.52 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 2kuf s PRO 540 Cb -0.27 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 2kuf s PRO 540 CO 0.35 -1.59 1.33 0.00 0.04 0.00 0.00 177.00 177.13 2kuf s ALA 541 N -2.65 3.51 0.00 8.56 0.00 -1.26 -2.48 121.76 127.44 2kuf s ALA 541 Ca 0.64 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2kuf s ALA 541 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2kuf s ALA 541 CO 0.51 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2kuf n GLY 542 N 0.88 1.53 3.74 0.00 0.00 0.17 -4.97 105.19 106.53 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 -2.43 3.88 -0.21 2.61 2.01 -1.04 -4.73 115.64 115.73 2kuf s THR 543 Ca 0.00 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.45 2kuf s THR 543 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2kuf s THR 543 CO 0.00 0.26 0.30 0.28 -0.69 0.00 0.00 174.62 174.77 2kuf s THR 544 N -0.11 5.27 0.17 -0.82 -1.32 -1.26 -1.67 115.64 115.89 2kuf s THR 544 Ca 0.50 0.50 0.10 0.00 -1.21 0.00 0.00 61.69 61.58 2kuf s THR 544 Cb -0.29 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.02 2kuf s THR 544 CO 0.34 0.29 -0.20 0.68 -2.21 0.00 0.00 174.62 173.52 2kuf s VAL 545 N 1.17 2.00 0.33 5.08 -7.23 0.40 -4.87 120.40 117.28 2kuf s VAL 545 Ca 0.15 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 2kuf s VAL 545 Cb -0.14 -1.92 -0.11 0.00 0.56 0.00 0.00 36.38 34.76 2kuf s VAL 545 CO 0.06 -0.23 1.54 -0.81 -0.31 0.00 0.00 175.10 175.35 2kuf n PRO 546 N 0.33 2.68 0.27 4.82 -0.04 -1.26 0.01 135.00 141.81 2kuf n PRO 546 Ca -0.13 0.95 0.14 0.00 -0.04 0.00 0.00 63.50 64.41 2kuf n PRO 546 Cb 0.56 -2.70 0.74 0.00 -0.04 0.00 0.00 33.50 32.06 2kuf n PRO 546 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kuf h VAL 547 N 3.15 0.48 0.00 0.52 3.04 -1.05 -1.38 116.25 121.01 2kuf h VAL 547 Ca -0.49 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2kuf h VAL 547 Cb 1.23 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 2kuf h VAL 547 CO 0.72 0.11 0.00 -0.67 -1.01 0.00 0.00 177.57 176.71 2kuf n ASP 548 N -3.54 0.00 -3.85 3.17 2.03 -1.26 -4.30 116.55 108.79 2kuf n ASP 548 Ca -0.02 0.50 -0.16 0.00 0.52 0.00 0.00 54.79 55.64 2kuf n ASP 548 Cb 0.24 -0.50 0.08 0.00 -0.72 0.00 0.00 41.12 40.22 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kuf n SER 549 N -1.50 1.07 -4.32 1.67 2.88 -0.52 -4.90 113.62 107.99 2kuf n SER 549 Ca 0.06 -1.86 -0.31 0.00 -1.33 0.00 0.00 58.87 55.43 2kuf n SER 549 Cb 0.31 -0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 63.19 2kuf n SER 549 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kuf s VAL 550 N -1.99 2.20 -0.09 2.46 0.11 -1.26 -2.55 120.40 119.29 2kuf s VAL 550 Ca 0.46 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2kuf s VAL 550 Cb -0.03 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 2kuf s VAL 550 CO 0.30 0.58 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.98 2kuf s ILE 551 N -0.43 3.99 -0.25 7.04 1.01 0.83 -4.95 121.20 128.45 2kuf s ILE 551 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 2kuf s ILE 551 Cb -0.12 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2kuf s ILE 551 CO 0.01 0.58 0.11 -1.83 0.00 0.00 0.00 174.94 173.82 2kuf s GLU 552 N -0.65 3.82 -0.22 2.79 1.03 -1.26 0.07 118.70 124.28 2kuf s GLU 552 Ca 0.10 -0.39 -0.06 0.00 0.03 0.00 0.00 54.97 54.65 2kuf s GLU 552 Cb -0.12 -3.42 -0.02 0.00 -0.80 0.00 0.00 34.13 29.77 2kuf s GLU 552 CO 0.02 -0.09 0.02 -0.51 -1.33 0.00 0.00 175.26 173.37 2kuf s LEU 553 N 1.40 3.28 -0.33 1.83 1.02 0.76 -2.11 118.68 124.54 2kuf s LEU 553 Ca 0.06 -0.23 -0.20 0.00 0.02 0.00 0.00 54.13 53.78 2kuf s LEU 553 Cb -0.15 -1.85 -0.00 0.00 0.02 0.00 0.00 46.19 44.21 2kuf s LEU 553 CO 0.05 0.02 0.63 -1.10 0.02 0.00 0.00 176.35 175.97 2kuf s GLN 554 N 1.30 3.80 -0.14 1.70 1.11 0.11 -0.97 119.66 126.58 2kuf s GLN 554 Ca 0.04 0.19 -0.10 0.00 0.01 0.00 0.00 55.36 55.50 2kuf s GLN 554 Cb -0.15 -3.76 -0.05 0.00 -1.01 0.00 0.00 33.01 28.05 2kuf s GLN 554 CO 0.02 -0.64 0.18 0.08 0.01 0.00 0.00 175.29 174.94 2kuf s VAL 555 N 2.64 5.40 -0.08 1.09 1.01 0.12 -0.84 120.40 129.74 2kuf s VAL 555 Ca 0.25 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 2kuf s VAL 555 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2kuf s VAL 555 CO 0.13 0.52 0.72 -0.44 0.00 0.00 0.00 175.10 176.03 2kuf s SER 556 N -0.35 6.98 -0.19 3.32 0.01 -0.51 -0.59 113.70 122.37 2kuf s SER 556 Ca 0.14 1.18 -0.09 0.00 1.31 0.00 0.00 55.95 58.49 2kuf s SER 556 Cb -0.12 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2kuf s SER 556 CO 0.03 -0.15 0.11 -1.59 0.41 0.00 0.00 173.24 172.04 2kuf s LYS 557 N 0.99 4.13 0.56 12.44 -2.85 0.92 -2.78 119.74 133.15 2kuf s LYS 557 Ca 0.38 -0.25 0.29 0.00 -1.00 0.00 0.00 55.97 55.38 2kuf s LYS 557 Cb -0.18 -3.36 1.67 0.00 -2.06 0.00 0.00 37.83 33.90 2kuf s LYS 557 CO 0.17 0.30 2.18 0.78 0.10 0.00 0.00 175.35 178.88 2kuf h GLY 558 N 6.66 0.00 0.00 0.59 0.00 -1.48 0.21 103.07 109.05 2kuf h GLY 558 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2kuf h GLY 558 CO 0.74 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.27 2kuf n ASN 559 N -3.74 0.00 -4.60 0.19 2.85 -1.26 -4.40 115.26 104.31 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 0.15 -0.42 -0.09 0.00 1.24 0.00 0.00 39.78 40.66 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 2.24 0.14 1.20 -0.21 -1.26 -0.93 119.66 120.84 2kuf s GLN 560 Ca 0.00 -0.97 0.05 0.00 0.02 0.00 0.00 55.36 54.46 2kuf s GLN 560 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 2kuf s GLN 560 CO 0.00 0.52 -0.11 -0.59 -2.12 0.00 0.00 175.29 172.99 2kuf s PHE 561 N -1.22 1.30 -0.03 0.91 -0.71 0.04 -4.84 117.98 113.42 2kuf s PHE 561 Ca 0.22 -0.69 -0.30 0.00 -1.04 0.00 0.00 56.93 55.12 2kuf s PHE 561 Cb -0.11 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 2kuf s PHE 561 CO 0.14 0.10 1.28 0.54 -1.34 0.00 0.00 175.22 175.94 2kuf s VAL 562 N -2.96 4.04 -0.07 -2.49 0.11 -1.26 -0.27 120.40 117.49 2kuf s VAL 562 Ca 0.14 1.39 -0.23 0.00 -2.93 0.00 0.00 61.98 60.35 2kuf s VAL 562 Cb 0.00 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2kuf s VAL 562 CO 0.01 0.00 0.70 -0.32 -3.33 0.00 0.00 175.10 172.17 2kuf s MET 563 N 2.25 4.42 0.94 1.54 1.75 -0.24 -4.92 119.30 125.05 2kuf s MET 563 Ca 0.59 0.88 -0.13 0.00 -1.25 0.00 0.00 55.69 55.78 2kuf s MET 563 Cb -0.27 -3.46 0.15 0.00 2.84 0.00 0.00 34.83 34.09 2kuf s MET 563 CO 0.24 0.04 1.13 -1.25 -0.65 0.00 0.00 175.02 174.53 2kuf s PRO 564 N 0.89 0.91 0.10 4.11 0.04 -1.26 -0.29 135.00 139.50 2kuf s PRO 564 Ca 0.37 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.39 2kuf s PRO 564 Cb -0.18 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2kuf s PRO 564 CO 0.18 -2.35 1.61 -0.51 0.04 0.00 0.00 177.00 175.96 2kuf s ASP 565 N -3.95 6.62 0.00 6.66 1.11 -1.26 -4.64 116.67 121.21 2kuf s ASP 565 Ca 0.65 2.50 0.00 0.00 0.18 0.00 0.00 52.55 55.88 2kuf s ASP 565 Cb -0.15 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.27 2kuf s ASP 565 CO 0.54 -0.85 0.56 0.00 1.18 0.00 0.00 175.17 176.60 2kuf n LEU 566 N 5.07 0.69 -4.74 1.23 -0.00 -1.26 -5.06 117.00 112.91 2kuf n LEU 566 Ca 0.15 -0.69 -0.40 0.00 -0.00 0.00 0.00 56.01 55.07 2kuf n LEU 566 Cb 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.77 2kuf n LEU 566 CO 0.62 0.17 0.68 -0.44 -0.00 0.00 0.00 177.39 178.42 2kuf s SER 567 N -0.29 7.55 0.00 1.45 0.01 -1.26 -3.76 113.70 117.40 2kuf s SER 567 Ca 0.00 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2kuf s SER 567 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2kuf s SER 567 CO 0.00 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2kuf n GLY 568 N 1.72 0.52 3.61 3.44 0.00 -1.22 -5.01 105.19 108.26 2kuf n GLY 568 Ca -0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.40 1.98 0.43 1.61 0.23 -1.25 -4.83 119.30 116.08 2kuf s MET 569 Ca 0.00 -2.20 0.02 0.00 -1.03 0.00 0.00 55.69 52.48 2kuf s MET 569 Cb 0.00 -1.20 -0.00 0.00 -1.53 0.00 0.00 34.83 32.10 2kuf s MET 569 CO 0.00 -0.30 0.63 -0.06 -2.03 0.00 0.00 175.02 173.26 2kuf s PHE 570 N -3.00 3.17 0.35 3.16 0.08 -1.26 -0.17 117.98 120.31 2kuf s PHE 570 Ca 0.22 0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.43 2kuf s PHE 570 Cb 0.05 -2.27 0.65 0.00 -0.57 0.00 0.00 43.02 40.88 2kuf s PHE 570 CO 0.11 -0.31 1.90 2.35 -0.10 0.00 0.00 175.22 179.17 2kuf h TRP 571 N 0.49 0.51 0.00 0.36 2.91 -1.94 0.10 115.95 118.38 2kuf h TRP 571 Ca -0.46 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2kuf h TRP 571 Cb 1.26 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 2kuf h TRP 571 CO 0.44 0.49 0.00 1.55 -1.03 0.00 0.00 178.44 179.89 2kuf n VAL 572 N -4.30 0.73 -0.08 2.65 3.14 -1.26 -1.61 118.33 117.58 2kuf n VAL 572 Ca 0.01 0.01 -0.07 0.00 -2.96 0.00 0.00 64.34 61.34 2kuf n VAL 572 Cb 0.22 -0.92 -0.15 0.00 -1.06 0.00 0.00 33.84 31.93 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 -2.26 0.24 -0.22 6.55 2.03 -0.69 -4.24 116.55 117.96 2kuf n ASP 573 Ca 0.04 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.27 2kuf n ASP 573 Cb 0.32 1.11 0.03 0.00 -0.72 0.00 0.00 41.12 41.86 2kuf n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kuf h ALA 574 N 1.08 0.82 -0.09 -1.67 0.00 -0.26 -2.85 119.26 116.29 2kuf h ALA 574 Ca -0.45 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.29 2kuf h ALA 574 Cb 2.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 2kuf h ALA 574 CO 0.02 0.49 -0.37 0.93 0.00 0.00 0.00 179.25 180.33 2kuf h GLU 575 N 0.90 -0.45 -0.44 0.00 5.08 -1.48 0.27 114.58 118.46 2kuf h GLU 575 Ca 0.20 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2kuf h GLU 575 Cb 0.30 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2kuf h GLU 575 CO -0.00 -0.30 0.30 -1.00 -1.00 0.00 0.00 179.01 177.00 2kuf h PRO 576 N -0.47 0.41 -0.20 2.33 0.13 -1.77 -1.88 132.00 130.55 2kuf h PRO 576 Ca 0.08 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 2kuf h PRO 576 Cb 0.59 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2kuf h PRO 576 CO -0.35 0.27 -0.36 0.00 -0.23 0.00 0.00 178.00 177.33 2kuf h ARG 577 N 0.42 0.43 -0.14 0.86 2.47 -0.78 -1.97 114.38 115.67 2kuf h ARG 577 Ca 0.19 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2kuf h ARG 577 Cb 0.21 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2kuf h ARG 577 CO -0.05 0.73 0.06 -0.07 0.56 0.00 0.00 179.97 181.20 2kuf h LEU 578 N 0.36 0.19 -0.86 3.04 3.38 0.28 0.94 115.31 122.64 2kuf h LEU 578 Ca 0.04 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2kuf h LEU 578 Cb 0.80 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2kuf h LEU 578 CO 0.06 0.29 -0.10 0.08 0.09 0.00 0.00 178.44 178.87 2kuf h ARG 579 N 0.07 0.74 -0.28 1.13 0.11 -1.51 -0.12 114.38 114.53 2kuf h ARG 579 Ca 0.05 -0.24 -0.13 0.00 0.10 0.00 0.00 59.98 59.76 2kuf h ARG 579 Cb 0.16 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2kuf h ARG 579 CO -0.00 0.82 -0.35 0.00 0.10 0.00 0.00 179.97 180.54 2kuf h ALA 580 N 1.21 0.87 -0.00 0.08 0.00 -0.89 -2.19 119.26 118.34 2kuf h ALA 580 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kuf h ALA 580 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kuf h ALA 580 CO 0.03 0.63 -0.08 1.47 0.00 0.00 0.00 179.25 181.31 2kuf n LEU 581 N -4.06 0.12 -0.61 0.00 -0.00 0.28 -4.91 117.00 107.83 2kuf n LEU 581 Ca -0.01 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.33 2kuf n LEU 581 Cb 0.49 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2kuf n LEU 581 CO 0.45 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.48 2kuf n GLY 582 N 1.43 0.83 3.69 1.47 0.00 -0.82 -5.02 105.19 106.77 2kuf n GLY 582 Ca 0.09 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.98 3.48 -0.56 1.61 -0.00 -0.09 -4.92 118.94 115.47 2kuf s TRP 583 Ca 0.00 1.12 0.20 0.00 -0.00 0.00 0.00 56.10 57.43 2kuf s TRP 583 Cb 0.00 -2.83 -0.26 0.00 -0.00 0.00 0.00 33.47 30.38 2kuf s TRP 583 CO 0.00 -0.06 0.69 0.25 -0.00 0.00 0.00 176.95 177.83 2kuf n THR 584 N 4.26 0.00 -1.38 5.86 -2.24 -1.26 -4.71 114.28 114.81 2kuf n THR 584 Ca -0.00 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2kuf n THR 584 Cb 0.50 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.41 -0.71 3.44 3.38 0.00 -1.03 -5.07 105.19 106.60 2kuf n GLY 585 Ca 0.01 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.17 1.81 -0.14 1.61 -1.94 -1.26 -5.03 119.30 111.17 2kuf s MET 586 Ca 0.08 -1.14 -0.17 0.00 -1.71 0.00 0.00 55.69 52.76 2kuf s MET 586 Cb -0.00 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 2kuf s MET 586 CO 0.06 0.50 0.43 -1.17 -0.01 0.00 0.00 175.02 174.83 2kuf s LEU 587 N -1.75 4.26 -0.17 -0.03 0.20 -1.26 -4.52 118.68 115.41 2kuf s LEU 587 Ca 0.15 0.72 -0.01 0.00 0.69 0.00 0.00 54.13 55.67 2kuf s LEU 587 Cb -0.10 -2.61 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 2kuf s LEU 587 CO 0.06 0.01 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.22 2kuf s ASP 588 N 0.63 4.02 -0.05 3.68 1.01 -1.22 -5.08 116.67 119.66 2kuf s ASP 588 Ca 0.23 -0.39 -0.19 0.00 0.71 0.00 0.00 52.55 52.92 2kuf s ASP 588 Cb -0.15 -1.65 -0.05 0.00 1.01 0.00 0.00 42.92 42.09 2kuf s ASP 588 CO 0.09 0.07 0.52 -1.59 0.21 0.00 0.00 175.17 174.46 2kuf s LYS 589 N 0.91 4.25 0.00 8.23 0.00 -1.26 -2.25 119.74 129.62 2kuf s LYS 589 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 55.97 56.51 2kuf s LYS 589 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 37.83 34.32 2kuf s LYS 589 CO -0.00 0.34 0.00 0.41 0.00 0.00 0.00 175.35 176.10 2kuf n GLY 590 N 2.65 1.56 3.56 0.59 0.00 0.16 -4.90 105.19 108.81 2kuf n GLY 590 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.00 3.51 0.11 4.61 0.00 -1.26 -4.98 121.76 119.75 2kuf s ALA 591 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 2kuf s ALA 591 Cb 0.00 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 2kuf s ALA 591 CO 0.00 -0.98 0.65 0.16 0.00 0.00 0.00 175.76 175.59 2kuf s ASP 592 N 1.71 7.19 -0.10 0.00 -4.77 -1.26 -4.21 116.67 115.23 2kuf s ASP 592 Ca 0.14 1.41 0.03 0.00 -3.30 0.00 0.00 52.55 50.83 2kuf s ASP 592 Cb -0.16 -2.41 0.01 0.00 -1.09 0.00 0.00 42.92 39.26 2kuf s ASP 592 CO 0.11 0.25 -0.20 -0.69 0.70 0.00 0.00 175.17 175.34 2kuf s VAL 593 N -1.13 1.81 -0.08 2.11 1.01 -1.16 -4.97 120.40 117.98 2kuf s VAL 593 Ca 0.32 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 2kuf s VAL 593 Cb -0.21 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2kuf s VAL 593 CO 0.22 0.50 1.35 -0.62 0.00 0.00 0.00 175.10 176.56 2kuf s ASP 594 N 0.55 6.89 0.00 3.32 2.15 -1.26 0.70 116.67 129.02 2kuf s ASP 594 Ca -0.15 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.76 2kuf s ASP 594 Cb -0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2kuf s ASP 594 CO 0.05 -0.74 0.00 0.00 -0.17 0.00 0.00 175.17 174.31 2kuf n ALA 595 N 6.04 2.35 0.00 3.66 0.00 0.12 -4.82 120.51 127.86 2kuf n ALA 595 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kuf n ALA 595 Cb 0.44 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 2.45 0.27 0.00 0.00 0.13 -4.67 105.19 105.38 2kuf n GLY 596 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.71 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 0.39 2.00 -0.02 0.00 -1.94 -0.98 103.07 102.53 2kuf h GLY 597 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2kuf h GLY 597 CO 0.00 0.18 -0.10 1.48 0.00 0.00 0.00 176.54 178.10 2kuf h SER 598 N 0.37 0.00 0.01 0.19 4.64 -1.97 -0.31 113.55 116.48 2kuf h SER 598 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2kuf h SER 598 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2kuf h SER 598 CO -0.00 0.10 -0.05 0.00 -0.87 0.00 0.00 176.83 176.01 2kuf n GLN 599 N -3.54 1.67 -1.78 4.77 6.02 -0.38 -4.99 117.38 119.15 2kuf n GLN 599 Ca -0.02 -1.09 -0.01 0.00 -0.01 0.00 0.00 57.00 55.87 2kuf n GLN 599 Cb 0.23 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 0.29 -1.11 -2.69 1.08 8.25 -0.13 -4.92 115.22 116.00 2kuf n HIS 600 Ca 0.17 0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 57.81 2kuf n HIS 600 Cb 0.40 -2.12 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 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 -0.23 6.59 0.32 0.41 2.20 -1.26 -4.97 114.94 117.99 2kuf s ASN 601 Ca -0.05 -1.76 -0.05 0.00 -0.94 0.00 0.00 52.86 50.06 2kuf s ASN 601 Cb 0.00 -2.51 -0.05 0.00 -2.00 0.00 0.00 41.25 36.69 2kuf s ASN 601 CO 0.20 -1.32 0.58 -0.13 -2.94 0.00 0.00 177.10 173.49 2kuf s ARG 602 N 4.11 3.62 0.21 3.55 0.52 -1.26 -3.70 118.95 125.99 2kuf s ARG 602 Ca 0.43 0.00 -0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2kuf s ARG 602 Cb -0.01 -2.62 -0.11 0.00 0.52 0.00 0.00 34.95 32.73 2kuf s ARG 602 CO -0.08 0.16 1.58 0.08 0.02 0.00 0.00 175.30 177.07 2kuf s VAL 603 N -2.17 2.39 -0.27 3.52 1.01 0.75 -1.09 120.40 124.53 2kuf s VAL 603 Ca 0.44 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 2kuf s VAL 603 Cb -0.10 -3.19 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 2kuf s VAL 603 CO 0.32 0.03 -0.30 0.52 0.00 0.00 0.00 175.10 175.67 2kuf n VAL 604 N 3.34 1.52 -3.71 2.92 0.31 -0.08 -3.37 118.33 119.26 2kuf n VAL 604 Ca 0.12 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 2kuf n VAL 604 Cb 0.38 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 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 -2.51 -0.20 0.01 3.52 5.04 -0.78 -4.93 117.35 117.49 2kuf s TYR 605 Ca -0.37 0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.37 2kuf s TYR 605 Cb 0.13 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.59 2kuf s TYR 605 CO 0.53 -0.53 0.06 1.14 -1.34 0.00 0.00 175.55 175.42 2kuf s GLN 606 N -2.34 0.38 -0.01 4.97 -2.07 -1.26 -0.04 119.66 119.29 2kuf s GLN 606 Ca -0.06 -0.46 -0.22 0.00 -1.82 0.00 0.00 55.36 52.80 2kuf s GLN 606 Cb -0.01 0.15 -0.14 0.00 -1.09 0.00 0.00 33.01 31.91 2kuf s GLN 606 CO -0.02 -0.08 1.00 -0.97 -1.32 0.00 0.00 175.29 173.91 2kuf h ASN 607 N 4.55 -0.40 -3.45 12.60 -0.73 -1.64 -3.40 115.58 123.11 2kuf h ASN 607 Ca -0.31 -0.15 -0.59 0.00 1.87 0.00 0.00 56.30 57.12 2kuf h ASN 607 Cb 1.20 0.10 -0.09 0.00 0.27 0.00 0.00 38.32 39.80 2kuf h ASN 607 CO 0.41 0.02 0.56 -2.84 -0.37 0.00 0.00 177.43 175.22 2kuf s PRO 608 N -4.09 3.90 0.72 6.67 0.02 -1.26 -5.04 135.00 135.92 2kuf s PRO 608 Ca -0.13 0.63 -0.12 0.00 0.02 0.00 0.00 61.00 61.40 2kuf s PRO 608 Cb 0.01 -3.77 0.03 0.00 0.02 0.00 0.00 34.50 30.79 2kuf s PRO 608 CO 0.45 -0.86 1.10 -2.14 -0.33 0.00 0.00 177.00 175.21 2kuf s PRO 609 N 3.33 2.53 0.29 5.54 0.02 -1.26 -4.97 135.00 140.48 2kuf s PRO 609 Ca 0.37 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 2kuf s PRO 609 Cb -0.13 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 2kuf s PRO 609 CO 0.16 -1.44 1.33 0.00 -0.33 0.00 0.00 177.00 176.73 2kuf s ALA 610 N -2.68 3.53 0.00 -1.55 0.00 -1.26 -2.19 121.76 117.60 2kuf s ALA 610 Ca 0.63 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2kuf s ALA 610 Cb -0.18 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2kuf s ALA 610 CO 0.50 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2kuf n GLY 611 N 1.43 0.49 3.89 0.00 0.00 0.60 -4.97 105.19 106.64 2kuf n GLY 611 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 5.13 -0.03 2.61 2.01 -0.93 -4.72 115.64 117.51 2kuf s THR 612 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2kuf s THR 612 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2kuf s THR 612 CO 0.00 0.01 1.18 -0.83 -0.69 0.00 0.00 174.62 174.29 2kuf s GLY 613 N -2.45 2.22 0.01 4.40 0.00 -1.26 -1.07 107.32 109.18 2kuf s GLY 613 Ca 0.42 0.65 0.08 0.00 0.00 0.00 0.00 44.72 45.87 2kuf s GLY 613 CO 0.24 2.13 -0.23 -1.34 0.00 0.00 0.00 173.10 173.90 2kuf s VAL 614 N 1.90 2.33 1.06 1.40 -7.23 0.63 -4.82 120.40 115.66 2kuf s VAL 614 Ca 0.56 -1.19 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2kuf s VAL 614 Cb -0.25 -1.89 0.08 0.00 0.56 0.00 0.00 36.38 34.88 2kuf s VAL 614 CO 0.24 0.45 0.17 -0.46 -0.31 0.00 0.00 175.10 175.19 2kuf n ASN 615 N 2.00 -2.27 0.24 4.85 6.94 -1.26 -0.78 115.26 124.98 2kuf n ASN 615 Ca -0.16 0.05 0.17 0.00 -0.02 0.00 0.00 54.58 54.61 2kuf n ASN 615 Cb 0.52 -1.06 0.87 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.88 0.00 0.00 -3.83 -0.00 -1.42 0.30 114.38 107.56 2kuf h ARG 616 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 2kuf h ARG 616 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 2kuf h ARG 616 CO 0.37 0.00 -0.02 -3.47 -0.00 0.00 0.00 179.97 176.85 2kuf n ASP 617 N -3.79 0.07 -0.72 0.08 2.03 -1.26 -4.70 116.55 108.26 2kuf n ASP 617 Ca -0.00 0.48 -0.09 0.00 0.52 0.00 0.00 54.79 55.69 2kuf n ASP 617 Cb 0.24 -0.49 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 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 1.49 1.01 3.66 0.27 0.00 0.11 -2.47 105.19 109.25 2kuf n GLY 618 Ca 0.07 -0.18 -0.42 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 -2.06 3.75 -0.05 -0.61 -1.16 -1.26 -4.89 121.20 114.92 2kuf s ILE 619 Ca 0.00 0.90 0.03 0.00 -0.51 0.00 0.00 60.65 61.07 2kuf s ILE 619 Cb 0.00 -3.61 0.01 0.00 0.61 0.00 0.00 42.46 39.47 2kuf s ILE 619 CO 0.00 -0.11 -0.12 -0.51 -2.81 0.00 0.00 174.94 171.39 2kuf s ILE 620 N 4.09 1.09 -0.10 2.00 -1.16 -1.26 -4.93 121.20 120.93 2kuf s ILE 620 Ca 0.69 -0.49 0.02 0.00 -0.51 0.00 0.00 60.65 60.36 2kuf s ILE 620 Cb -0.30 -0.98 -0.02 0.00 0.61 0.00 0.00 42.46 41.78 2kuf s ILE 620 CO 0.26 0.34 -0.15 0.28 -2.81 0.00 0.00 174.94 172.86 2kuf s THR 621 N 0.43 2.91 0.16 4.00 -1.32 -1.26 -3.46 115.64 117.10 2kuf s THR 621 Ca -0.09 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 59.64 2kuf s THR 621 Cb -0.13 -2.18 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2kuf s THR 621 CO 0.02 0.55 0.07 -1.48 -2.21 0.00 0.00 174.62 171.58 2kuf s LEU 622 N -0.03 1.66 -0.03 9.08 0.05 -0.95 -1.45 118.68 127.01 2kuf s LEU 622 Ca -0.04 -1.26 0.05 0.00 0.05 0.00 0.00 54.13 52.93 2kuf s LEU 622 Cb -0.14 0.25 -0.01 0.00 -2.05 0.00 0.00 46.19 44.24 2kuf s LEU 622 CO 0.04 -0.74 -0.16 0.00 -0.55 0.00 0.00 176.35 174.94 2kuf s ARG 623 N -4.06 1.53 0.14 1.48 1.70 0.94 0.35 118.95 121.04 2kuf s ARG 623 Ca 0.29 -0.58 -0.01 0.00 -0.47 0.00 0.00 55.73 54.96 2kuf s ARG 623 Cb 0.07 -1.40 -0.04 0.00 -0.57 0.00 0.00 34.95 33.01 2kuf s ARG 623 CO 0.05 0.29 0.06 -0.59 -1.08 0.00 0.00 175.30 174.03 2kuf s PHE 624 N -0.14 0.94 0.29 5.89 -0.71 -1.26 -0.90 117.98 122.09 2kuf s PHE 624 Ca 0.01 -1.24 -0.29 0.00 -1.04 0.00 0.00 56.93 54.37 2kuf s PHE 624 Cb -0.09 -0.52 -0.10 0.00 -1.21 0.00 0.00 43.02 41.11 2kuf s PHE 624 CO 0.01 -0.51 1.14 0.20 -1.34 0.00 0.00 175.22 174.73 2kuf s GLY 625 N -3.08 3.05 0.00 1.99 0.00 -0.25 -3.01 107.32 106.02 2kuf s GLY 625 Ca 0.26 0.98 0.24 0.00 0.00 0.00 0.00 44.72 46.20 2kuf s GLY 625 CO 0.03 1.59 1.28 -0.18 0.00 0.00 0.00 173.10 175.82