#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 4.16 -2.02 1.61 0.02 -1.26 -2.88 135.00 134.63 2kuf s PRO 492 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.07 2kuf s PRO 492 Cb 0.00 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.66 2kuf s PRO 492 CO 0.00 -0.30 0.00 0.00 -0.33 0.00 0.00 177.00 176.37 2kuf n ALA 493 N 0.39 -0.35 -2.93 -1.55 0.00 -1.26 -4.96 120.51 109.86 2kuf n ALA 493 Ca 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 2kuf n ALA 493 Cb 0.44 -1.99 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 -2.77 0.08 -0.03 0.00 -4.23 -1.14 0.05 115.64 107.59 2kuf s THR 494 Ca 0.00 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2kuf s THR 494 Cb 0.00 -0.16 -0.00 0.00 1.34 0.00 0.00 72.50 73.68 2kuf s THR 494 CO 0.00 -0.27 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.13 2kuf s LYS 495 N -0.80 1.37 -0.15 3.99 -0.14 0.85 -4.28 119.74 120.57 2kuf s LYS 495 Ca -0.09 -0.50 -0.25 0.00 -1.36 0.00 0.00 55.97 53.77 2kuf s LYS 495 Cb -0.05 -1.25 -0.02 0.00 -1.68 0.00 0.00 37.83 34.83 2kuf s LYS 495 CO -0.01 0.24 0.80 0.16 -0.76 0.00 0.00 175.35 175.78 2kuf s ASP 496 N -0.05 6.96 -0.14 2.83 -4.77 -1.26 -0.67 116.67 119.56 2kuf s ASP 496 Ca -0.00 1.17 -0.25 0.00 -3.30 0.00 0.00 52.55 50.17 2kuf s ASP 496 Cb -0.09 -2.45 -0.02 0.00 -1.09 0.00 0.00 42.92 39.28 2kuf s ASP 496 CO 0.01 -0.34 0.80 0.27 0.70 0.00 0.00 175.17 176.60 2kuf s ILE 497 N 1.89 4.92 0.98 2.11 -4.36 -0.04 -4.94 121.20 121.76 2kuf s ILE 497 Ca 0.38 1.59 -0.14 0.00 -0.26 0.00 0.00 60.65 62.22 2kuf s ILE 497 Cb -0.17 -4.12 0.18 0.00 1.25 0.00 0.00 42.46 39.60 2kuf s ILE 497 CO 0.14 0.09 1.16 -2.84 0.24 0.00 0.00 174.94 173.72 2kuf s PRO 498 N 1.78 0.57 -0.60 0.37 0.02 -1.26 0.04 135.00 135.93 2kuf s PRO 498 Ca 0.38 0.13 -0.28 0.00 0.02 0.00 0.00 61.00 61.25 2kuf s PRO 498 Cb -0.17 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.59 2kuf s PRO 498 CO 0.14 -2.55 1.19 0.34 -0.33 0.00 0.00 177.00 175.80 2kuf s ASP 499 N -4.10 6.41 -0.86 2.53 2.15 -1.26 -4.66 116.67 116.88 2kuf s ASP 499 Ca 0.67 0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.69 2kuf s ASP 499 Cb -0.12 -2.55 0.33 0.00 -0.30 0.00 0.00 42.92 40.28 2kuf s ASP 499 CO 0.54 -1.51 1.54 1.33 -0.17 0.00 0.00 175.17 176.90 2kuf n VAL 500 N 6.62 4.95 -4.02 1.11 0.24 -1.26 -4.89 118.33 121.09 2kuf n VAL 500 Ca 0.08 -5.76 -0.33 0.00 -2.04 0.00 0.00 64.34 56.29 2kuf n VAL 500 Cb 0.49 -1.48 -0.15 0.00 -1.47 0.00 0.00 33.84 31.23 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 -4.03 2.63 0.00 2.33 0.00 -1.26 -2.75 121.76 118.68 2kuf s ALA 501 Ca 0.43 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2kuf s ALA 501 Cb 0.24 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2kuf s ALA 501 CO -0.15 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2kuf n GLY 502 N 4.53 1.01 2.13 0.00 0.00 -0.32 -4.94 105.19 107.59 2kuf n GLY 502 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 1.08 -1.87 1.61 0.00 -1.26 -4.92 117.38 112.02 2kuf n GLN 503 Ca 0.00 -1.96 -0.33 0.00 0.00 0.00 0.00 57.00 54.71 2kuf n GLN 503 Cb 0.00 0.26 0.03 0.00 0.00 0.00 0.00 30.24 30.53 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 -1.61 3.49 0.19 -0.39 2.01 -1.26 -1.36 115.64 116.71 2kuf s THR 504 Ca 0.15 0.69 -0.11 0.00 0.31 0.00 0.00 61.69 62.73 2kuf s THR 504 Cb -0.01 -3.22 0.12 0.00 0.01 0.00 0.00 72.50 69.40 2kuf s THR 504 CO 0.09 -0.43 1.81 1.62 -0.69 0.00 0.00 174.62 177.02 2kuf h VAL 505 N 0.18 1.21 -0.71 3.82 3.04 -1.09 0.21 116.25 122.91 2kuf h VAL 505 Ca -0.47 -0.54 -0.03 0.00 -1.01 0.00 0.00 66.70 64.66 2kuf h VAL 505 Cb 1.23 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 2kuf h VAL 505 CO 0.55 0.23 0.33 -0.78 -1.01 0.00 0.00 177.57 176.90 2kuf h ASP 506 N 0.93 0.94 -0.45 3.17 3.58 -1.92 0.18 116.42 122.86 2kuf h ASP 506 Ca 0.24 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.45 2kuf h ASP 506 Cb 0.04 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2kuf h ASP 506 CO -0.04 0.82 -0.11 0.58 -2.88 0.00 0.00 179.24 177.61 2kuf h VAL 507 N 1.00 1.27 -0.57 2.25 2.07 -1.79 0.11 116.25 120.59 2kuf h VAL 507 Ca 0.24 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2kuf h VAL 507 Cb 0.13 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2kuf h VAL 507 CO -0.03 0.42 0.30 0.00 0.02 0.00 0.00 177.57 178.28 2kuf h ALA 508 N 0.87 0.74 -0.48 1.67 0.00 -0.05 0.30 119.26 122.31 2kuf h ALA 508 Ca 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kuf h ALA 508 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kuf h ALA 508 CO 0.05 0.28 0.10 1.96 0.00 0.00 0.00 179.25 181.63 2kuf h GLN 509 N 0.78 0.78 -0.26 0.00 4.20 -0.25 0.34 115.11 120.70 2kuf h GLN 509 Ca 0.20 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kuf h GLN 509 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2kuf h GLN 509 CO -0.03 0.78 0.09 0.87 -0.67 0.00 0.00 178.83 179.87 2kuf h LYS 510 N 0.66 0.40 -0.68 1.46 1.79 -0.60 -0.66 116.57 118.95 2kuf h LYS 510 Ca 0.15 -0.08 -0.05 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 0.46 0.22 -0.91 -1.08 0.00 0.00 179.45 178.15 2kuf h ASN 511 N 0.26 0.95 -0.31 0.86 2.35 -0.07 -0.84 115.58 118.80 2kuf h ASN 511 Ca 0.09 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2kuf h ASN 511 Cb 0.22 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2kuf h ASN 511 CO -0.00 0.88 0.03 0.25 -1.65 0.00 0.00 177.43 176.94 2kuf h LEU 512 N 0.99 0.51 -1.40 1.61 7.12 -0.18 -2.76 115.31 121.20 2kuf h LEU 512 Ca 0.22 -0.28 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2kuf h LEU 512 Cb 0.27 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.23 2kuf h LEU 512 CO -0.01 0.66 0.41 -1.13 -0.13 0.00 0.00 178.44 178.25 2kuf h ASN 513 N 0.33 0.70 -0.97 1.25 -0.00 -0.39 0.43 115.58 116.93 2kuf h ASN 513 Ca 0.09 -0.02 0.07 0.00 -0.00 0.00 0.00 56.30 56.44 2kuf h ASN 513 Cb 0.39 -0.17 -0.07 0.00 -0.00 0.00 0.00 38.32 38.47 2kuf h ASN 513 CO 0.01 0.50 0.63 0.58 -0.00 0.00 0.00 177.43 179.15 2kuf h VAL 514 N 0.83 1.07 -0.00 2.57 2.07 -0.87 0.26 116.25 122.17 2kuf h VAL 514 Ca 0.23 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2kuf h VAL 514 Cb -0.06 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.56 2kuf h VAL 514 CO -0.05 0.20 -0.62 -1.22 0.02 0.00 0.00 177.57 175.90 2kuf n TYR 515 N -4.50 0.00 -0.03 1.57 4.01 -0.82 -4.71 117.16 112.68 2kuf n TYR 515 Ca 0.15 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.83 2kuf n TYR 515 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 2kuf n TYR 515 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kuf n GLY 516 N 1.31 -0.33 2.36 2.72 0.00 0.15 -4.88 105.19 106.52 2kuf n GLY 516 Ca 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.04 -0.42 -2.20 1.61 3.72 0.87 -4.91 117.46 112.08 2kuf n PHE 517 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 2kuf n PHE 517 Cb 0.32 -2.97 0.04 0.00 -0.94 0.00 0.00 39.48 35.92 2kuf n PHE 517 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kuf n THR 518 N -3.40 0.00 -4.43 4.37 -2.24 -1.26 -4.99 114.28 102.33 2kuf n THR 518 Ca -0.17 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2kuf n THR 518 Cb 0.58 -1.32 -0.10 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 -3.32 2.79 0.09 -0.78 1.02 -1.23 -4.92 119.74 113.39 2kuf s LYS 519 Ca 0.21 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.68 2kuf s LYS 519 Cb -0.01 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2kuf s LYS 519 CO 0.14 0.65 -0.11 -0.59 -0.92 0.00 0.00 175.35 174.52 2kuf s PHE 520 N -0.94 1.08 0.03 3.18 -0.12 -1.26 -0.16 117.98 119.79 2kuf s PHE 520 Ca 0.15 -0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 2kuf s PHE 520 Cb -0.11 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 2kuf s PHE 520 CO 0.05 0.02 0.02 -1.12 -0.05 0.00 0.00 175.22 174.14 2kuf s SER 521 N -2.14 0.24 -0.14 1.98 0.01 0.80 -4.86 113.70 109.59 2kuf s SER 521 Ca 0.02 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.73 2kuf s SER 521 Cb -0.06 0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 2kuf s SER 521 CO 0.01 -0.40 -0.18 0.00 0.41 0.00 0.00 173.24 173.08 2kuf s GLN 522 N -2.11 3.17 -0.13 12.44 -2.07 -1.26 -0.10 119.66 129.59 2kuf s GLN 522 Ca -0.10 -0.79 -0.01 0.00 -1.82 0.00 0.00 55.36 52.65 2kuf s GLN 522 Cb -0.05 -2.54 -0.02 0.00 -1.09 0.00 0.00 33.01 29.32 2kuf s GLN 522 CO -0.03 0.05 -0.11 0.00 -1.32 0.00 0.00 175.29 173.88 2kuf s ALA 523 N 0.70 2.70 -0.10 2.60 0.00 0.62 -4.92 121.76 123.36 2kuf s ALA 523 Ca -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2kuf s ALA 523 Cb -0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2kuf s ALA 523 CO 0.01 0.26 0.06 -1.54 0.00 0.00 0.00 175.76 174.55 2kuf s SER 524 N 0.31 5.74 0.04 0.00 1.04 -1.26 -0.04 113.70 119.52 2kuf s SER 524 Ca -0.09 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2kuf s SER 524 Cb -0.15 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 2kuf s SER 524 CO 0.05 0.38 -0.07 0.54 0.98 0.00 0.00 173.24 175.12 2kuf s VAL 525 N -0.89 0.47 0.05 5.02 0.11 0.24 -4.92 120.40 120.47 2kuf s VAL 525 Ca 0.14 -1.02 -0.22 0.00 -2.93 0.00 0.00 61.98 57.95 2kuf s VAL 525 Cb -0.12 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 2kuf s VAL 525 CO 0.03 -0.38 0.64 1.51 -3.33 0.00 0.00 175.10 173.57 2kuf s ASP 526 N -1.50 7.09 0.19 3.54 1.47 -1.26 -0.34 116.67 125.86 2kuf s ASP 526 Ca -0.10 1.30 -0.18 0.00 1.18 0.00 0.00 52.55 54.74 2kuf s ASP 526 Cb -0.10 -2.40 0.03 0.00 -0.34 0.00 0.00 42.92 40.12 2kuf s ASP 526 CO 0.00 0.14 0.53 -0.44 0.68 0.00 0.00 175.17 176.09 2kuf s SER 527 N -0.53 -0.30 0.00 2.11 0.01 0.05 -4.86 113.70 110.19 2kuf s SER 527 Ca 0.32 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2kuf s SER 527 Cb -0.20 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2kuf s SER 527 CO 0.20 -1.04 0.55 -0.81 0.41 0.00 0.00 173.24 172.55 2kuf n PRO 528 N -0.34 0.57 -3.69 12.44 -0.04 -1.26 -3.84 135.00 138.83 2kuf n PRO 528 Ca -0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 2kuf n PRO 528 Cb 0.63 -1.02 -0.06 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.93 3.67 0.51 0.54 3.00 -1.26 -4.95 118.95 118.52 2kuf s ARG 529 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 55.73 55.62 2kuf s ARG 529 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 34.95 31.70 2kuf s ARG 529 CO 0.00 0.71 1.14 -2.30 0.00 0.00 0.00 175.30 174.85 2kuf n PRO 530 N 1.72 1.43 -1.89 3.54 -0.02 -1.26 -2.12 135.00 136.40 2kuf n PRO 530 Ca -0.16 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 2kuf n PRO 530 Cb 0.53 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2kuf n PRO 530 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 531 N -1.33 1.96 0.00 3.55 0.00 -1.22 -2.25 121.76 122.46 2kuf s ALA 531 Ca 0.69 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kuf s ALA 531 Cb -0.47 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.32 2kuf s ALA 531 CO 0.52 -4.15 0.00 0.41 0.00 0.00 0.00 175.76 172.55 2kuf n GLY 532 N 5.86 0.72 3.72 0.00 0.00 -1.11 -4.91 105.19 109.46 2kuf n GLY 532 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 4.47 -0.22 1.61 2.12 -0.95 -0.49 118.70 125.23 2kuf s GLU 533 Ca 0.00 1.76 -0.12 0.00 0.36 0.00 0.00 54.97 56.97 2kuf s GLU 533 Cb 0.00 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kuf s GLU 533 CO 0.00 -0.18 0.24 0.54 -0.54 0.00 0.00 175.26 175.32 2kuf s VAL 534 N 0.75 5.31 -1.84 3.70 0.11 -0.47 -0.51 120.40 127.45 2kuf s VAL 534 Ca 0.56 0.37 0.19 0.00 -2.93 0.00 0.00 61.98 60.18 2kuf s VAL 534 Cb -0.30 -3.58 0.59 0.00 -1.53 0.00 0.00 36.38 31.57 2kuf s VAL 534 CO 0.31 0.32 1.50 0.35 -3.33 0.00 0.00 175.10 174.25 2kuf n THR 535 N 4.22 1.03 0.00 5.04 -2.24 -0.32 -1.17 114.28 120.84 2kuf n THR 535 Ca -0.13 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2kuf n THR 535 Cb 0.52 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.45 0.77 3.53 3.38 0.00 -1.11 -4.61 105.19 108.61 2kuf n GLY 536 Ca 0.22 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.60 2.88 0.06 2.61 -4.23 -1.26 -0.16 115.64 113.95 2kuf s THR 537 Ca 0.00 -2.09 -0.24 0.00 -1.18 0.00 0.00 61.69 58.18 2kuf s THR 537 Cb 0.00 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.18 2kuf s THR 537 CO 0.00 -0.31 1.63 -1.13 -0.54 0.00 0.00 174.62 174.27 2kuf h ASN 538 N 2.37 -0.04 -3.93 3.99 -1.24 -1.82 -3.41 115.58 111.49 2kuf h ASN 538 Ca -0.43 -0.10 -0.51 0.00 0.71 0.00 0.00 56.30 55.96 2kuf h ASN 538 Cb 1.24 0.01 0.06 0.00 0.73 0.00 0.00 38.32 40.36 2kuf h ASN 538 CO 0.58 0.08 0.54 -2.16 -1.29 0.00 0.00 177.43 175.17 2kuf s PRO 539 N -5.75 4.07 0.48 6.67 0.04 -1.26 -4.98 135.00 134.26 2kuf s PRO 539 Ca -0.14 1.94 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 2kuf s PRO 539 Cb 0.05 -2.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.78 2kuf s PRO 539 CO 0.66 -0.34 1.31 -1.25 0.04 0.00 0.00 177.00 177.42 2kuf s PRO 540 N -2.21 3.56 0.32 0.56 0.04 -1.26 -4.94 135.00 131.07 2kuf s PRO 540 Ca 0.56 2.14 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 2kuf s PRO 540 Cb -0.33 -2.47 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 2kuf s PRO 540 CO 0.42 -0.82 1.49 0.00 0.04 0.00 0.00 177.00 178.13 2kuf s ALA 541 N -1.33 3.63 0.00 8.56 0.00 -1.26 -2.34 121.76 129.01 2kuf s ALA 541 Ca 0.65 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.09 2kuf s ALA 541 Cb -0.38 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2kuf s ALA 541 CO 0.46 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2kuf n GLY 542 N 1.37 1.12 3.74 0.00 0.00 0.11 -4.93 105.19 106.60 2kuf n GLY 542 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.19 4.38 -0.13 2.61 2.01 -0.99 -4.71 115.64 116.62 2kuf s THR 543 Ca 0.00 1.98 -0.19 0.00 0.31 0.00 0.00 61.69 63.79 2kuf s THR 543 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2kuf s THR 543 CO 0.00 0.40 0.54 0.28 -0.69 0.00 0.00 174.62 175.15 2kuf s THR 544 N -0.49 5.13 0.16 -0.82 -1.32 -1.26 -0.86 115.64 116.18 2kuf s THR 544 Ca 0.43 1.07 0.09 0.00 -1.21 0.00 0.00 61.69 62.07 2kuf s THR 544 Cb -0.24 -3.87 -0.04 0.00 -1.51 0.00 0.00 72.50 66.84 2kuf s THR 544 CO 0.29 0.26 -0.20 0.68 -2.21 0.00 0.00 174.62 173.44 2kuf s VAL 545 N 0.96 1.93 0.35 5.08 -7.23 0.15 -4.87 120.40 116.77 2kuf s VAL 545 Ca 0.28 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 2kuf s VAL 545 Cb -0.16 -1.86 -0.11 0.00 0.56 0.00 0.00 36.38 34.81 2kuf s VAL 545 CO 0.12 -0.22 1.53 -2.16 -0.31 0.00 0.00 175.10 174.05 2kuf s PRO 546 N -2.60 4.11 0.59 4.82 0.04 -1.26 -0.11 135.00 140.60 2kuf s PRO 546 Ca 0.15 2.57 0.40 0.00 0.04 0.00 0.00 61.00 64.16 2kuf s PRO 546 Cb -0.07 -2.99 2.10 0.00 0.04 0.00 0.00 34.50 33.58 2kuf s PRO 546 CO 0.07 -0.57 2.21 -0.24 0.04 0.00 0.00 177.00 178.51 2kuf h VAL 547 N 3.13 0.00 0.00 -0.36 3.04 -0.71 -0.31 116.25 121.04 2kuf h VAL 547 Ca -0.49 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2kuf h VAL 547 Cb 1.23 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2kuf h VAL 547 CO 0.70 0.00 -0.09 -0.78 -1.01 0.00 0.00 177.57 176.39 2kuf h ASP 548 N 0.00 0.00 -3.04 3.17 3.58 -1.89 -3.40 116.42 114.83 2kuf h ASP 548 Ca 0.00 -0.02 -0.49 0.00 0.42 0.00 0.00 57.03 56.93 2kuf h ASP 548 Cb 0.06 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kuf h ASP 548 CO 0.00 0.01 -0.14 -0.94 -2.88 0.00 0.00 179.24 175.29 2kuf s SER 549 N -4.81 6.34 -0.20 2.28 1.04 -0.13 -4.91 113.70 113.32 2kuf s SER 549 Ca 0.09 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.01 2kuf s SER 549 Cb 0.11 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 2kuf s SER 549 CO 0.63 -0.29 0.20 0.54 0.98 0.00 0.00 173.24 175.30 2kuf s VAL 550 N -2.28 5.35 -0.14 5.02 0.11 -1.26 -3.47 120.40 123.74 2kuf s VAL 550 Ca 0.42 0.32 -0.09 0.00 -2.93 0.00 0.00 61.98 59.70 2kuf s VAL 550 Cb -0.10 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2kuf s VAL 550 CO 0.35 0.38 0.18 -0.63 -3.33 0.00 0.00 175.10 172.05 2kuf s ILE 551 N 0.68 5.41 -0.22 7.04 1.01 0.78 -4.92 121.20 130.98 2kuf s ILE 551 Ca 0.11 0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.98 2kuf s ILE 551 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2kuf s ILE 551 CO 0.02 0.54 0.08 -1.83 0.00 0.00 0.00 174.94 173.76 2kuf s GLU 552 N -0.47 3.87 -0.27 2.79 1.03 -1.26 -0.14 118.70 124.25 2kuf s GLU 552 Ca 0.14 -0.38 -0.12 0.00 0.03 0.00 0.00 54.97 54.64 2kuf s GLU 552 Cb -0.12 -3.32 -0.05 0.00 -0.80 0.00 0.00 34.13 29.84 2kuf s GLU 552 CO 0.03 0.06 0.24 -0.51 -1.33 0.00 0.00 175.26 173.75 2kuf s LEU 553 N 0.98 4.04 -0.49 1.83 2.01 0.86 -2.11 118.68 125.80 2kuf s LEU 553 Ca 0.05 0.11 -0.25 0.00 0.01 0.00 0.00 54.13 54.05 2kuf s LEU 553 Cb -0.14 -2.22 0.03 0.00 0.01 0.00 0.00 46.19 43.88 2kuf s LEU 553 CO 0.03 -0.07 0.92 -1.10 1.01 0.00 0.00 176.35 177.14 2kuf s GLN 554 N 1.72 3.45 -0.11 1.70 1.11 0.78 -0.27 119.66 128.04 2kuf s GLN 554 Ca 0.10 -0.01 -0.19 0.00 0.01 0.00 0.00 55.36 55.27 2kuf s GLN 554 Cb -0.16 -3.97 -0.04 0.00 -1.01 0.00 0.00 33.01 27.83 2kuf s GLN 554 CO 0.10 -1.31 0.53 0.08 0.01 0.00 0.00 175.29 174.69 2kuf s VAL 555 N 3.81 5.15 -0.30 1.09 1.01 0.94 -1.17 120.40 130.93 2kuf s VAL 555 Ca 0.34 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 2kuf s VAL 555 Cb -0.11 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2kuf s VAL 555 CO 0.24 0.30 0.44 -0.44 0.00 0.00 0.00 175.10 175.64 2kuf s SER 556 N 0.68 6.30 -0.01 3.32 0.01 0.33 -0.59 113.70 123.74 2kuf s SER 556 Ca 0.29 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.55 2kuf s SER 556 Cb -0.16 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2kuf s SER 556 CO 0.12 -0.31 0.51 -1.59 0.41 0.00 0.00 173.24 172.38 2kuf s LYS 557 N 2.20 4.17 0.56 12.44 -2.85 0.53 -2.76 119.74 134.03 2kuf s LYS 557 Ca 0.17 0.58 0.30 0.00 -1.00 0.00 0.00 55.97 56.01 2kuf s LYS 557 Cb -0.16 -3.30 1.67 0.00 -2.06 0.00 0.00 37.83 33.99 2kuf s LYS 557 CO 0.11 0.49 2.16 0.78 0.10 0.00 0.00 175.35 179.00 2kuf h GLY 558 N 5.30 0.00 0.00 0.59 0.00 -1.53 0.19 103.07 107.61 2kuf h GLY 558 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2kuf h GLY 558 CO 0.67 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.20 2kuf n ASN 559 N -3.65 0.00 -4.62 0.19 2.85 -1.26 -4.42 115.26 104.35 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 0.17 -0.03 -0.09 0.00 1.24 0.00 0.00 39.78 41.07 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 2.28 0.06 1.20 -0.21 -1.26 -0.72 119.66 121.01 2kuf s GLN 560 Ca 0.00 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.44 2kuf s GLN 560 Cb 0.00 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 2kuf s GLN 560 CO 0.00 0.51 -0.12 -0.59 -2.12 0.00 0.00 175.29 172.97 2kuf s PHE 561 N -1.30 1.04 0.04 0.91 -0.71 -0.24 -4.82 117.98 112.89 2kuf s PHE 561 Ca 0.23 -0.47 -0.30 0.00 -1.04 0.00 0.00 56.93 55.35 2kuf s PHE 561 Cb -0.11 -0.60 -0.07 0.00 -1.21 0.00 0.00 43.02 41.04 2kuf s PHE 561 CO 0.16 0.01 1.49 0.08 -1.34 0.00 0.00 175.22 175.62 2kuf s VAL 562 N -1.29 3.40 -0.18 -2.49 1.01 -1.26 -0.10 120.40 119.49 2kuf s VAL 562 Ca -0.04 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 2kuf s VAL 562 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2kuf s VAL 562 CO 0.02 0.01 0.49 -0.32 0.00 0.00 0.00 175.10 175.29 2kuf s MET 563 N 2.33 4.22 0.68 2.72 1.75 -0.70 -4.91 119.30 125.39 2kuf s MET 563 Ca 0.68 0.38 -0.15 0.00 -1.25 0.00 0.00 55.69 55.35 2kuf s MET 563 Cb -0.35 -3.53 0.01 0.00 2.84 0.00 0.00 34.83 33.80 2kuf s MET 563 CO 0.29 -0.06 1.13 -2.14 -0.65 0.00 0.00 175.02 173.59 2kuf s PRO 564 N 1.36 2.59 0.32 4.11 0.02 -1.26 -0.29 135.00 141.86 2kuf s PRO 564 Ca 0.24 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 2kuf s PRO 564 Cb -0.15 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.35 2kuf s PRO 564 CO 0.09 -1.43 1.31 0.34 -0.33 0.00 0.00 177.00 176.99 2kuf s ASP 565 N -2.47 6.78 0.00 2.53 2.15 -1.26 -4.79 116.67 119.61 2kuf s ASP 565 Ca 0.69 2.67 0.00 0.00 0.43 0.00 0.00 52.55 56.33 2kuf s ASP 565 Cb -0.22 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.75 2kuf s ASP 565 CO 0.43 -0.54 0.75 0.00 -0.17 0.00 0.00 175.17 175.64 2kuf n LEU 566 N 0.99 0.00 -4.84 -1.34 -0.00 -1.26 -5.11 117.00 105.45 2kuf n LEU 566 Ca 0.01 -0.58 -0.32 0.00 -0.00 0.00 0.00 56.01 55.12 2kuf n LEU 566 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.79 2kuf n LEU 566 CO 0.59 0.18 0.67 -0.94 -0.00 0.00 0.00 177.39 177.90 2kuf s SER 567 N -0.53 6.71 -0.08 1.45 1.04 -1.26 -4.14 113.70 116.89 2kuf s SER 567 Ca 0.00 1.60 -0.00 0.00 0.48 0.00 0.00 55.95 58.03 2kuf s SER 567 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kuf s SER 567 CO 0.00 -0.53 0.01 0.61 0.98 0.00 0.00 173.24 174.31 2kuf n GLY 568 N -1.33 0.41 3.12 7.32 0.00 -1.26 -5.05 105.19 108.41 2kuf n GLY 568 Ca 0.07 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.04 0.52 -3.38 1.61 3.85 -1.26 -4.91 117.12 112.52 2kuf n MET 569 Ca -0.01 -3.22 -0.19 0.00 -1.00 0.00 0.00 57.70 53.28 2kuf n MET 569 Cb 0.51 2.06 -0.01 0.00 -1.05 0.00 0.00 33.22 34.73 2kuf n MET 569 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2kuf s PHE 570 N -3.10 2.93 0.38 3.17 0.08 -1.26 -0.05 117.98 120.12 2kuf s PHE 570 Ca 0.26 -0.33 0.13 0.00 0.12 0.00 0.00 56.93 57.11 2kuf s PHE 570 Cb 0.01 -2.12 0.73 0.00 -0.57 0.00 0.00 43.02 41.08 2kuf s PHE 570 CO 0.18 -0.13 1.83 2.35 -0.10 0.00 0.00 175.22 179.36 2kuf h TRP 571 N 0.88 0.00 0.00 0.36 2.91 -1.91 0.25 115.95 118.44 2kuf h TRP 571 Ca -0.43 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2kuf h TRP 571 Cb 1.27 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 2kuf h TRP 571 CO 0.44 0.36 0.00 -0.24 -1.03 0.00 0.00 178.44 177.98 2kuf h VAL 572 N 0.00 0.00 0.00 2.65 3.04 -1.94 -0.08 116.25 119.92 2kuf h VAL 572 Ca -0.00 -0.41 -0.36 0.00 -1.01 0.00 0.00 66.70 64.91 2kuf h VAL 572 Cb 0.64 1.29 -0.07 0.00 -2.01 0.00 0.00 31.29 31.14 2kuf h VAL 572 CO 0.05 0.00 -2.37 -0.67 -1.01 0.00 0.00 177.57 173.56 2kuf n ASP 573 N -2.59 1.97 -0.26 3.17 2.03 -0.75 -4.48 116.55 115.63 2kuf n ASP 573 Ca 0.02 -0.12 -0.05 0.00 0.52 0.00 0.00 54.79 55.16 2kuf n ASP 573 Cb 0.30 -0.27 0.06 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.08 0.93 0.02 -1.67 0.00 -0.27 -2.55 119.26 115.80 2kuf h ALA 574 Ca -0.54 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.32 2kuf h ALA 574 Cb 1.87 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2kuf h ALA 574 CO -0.07 0.39 -0.20 1.49 0.00 0.00 0.00 179.25 180.85 2kuf h GLU 575 N 0.99 -0.32 -0.44 0.00 4.81 -1.24 0.09 114.58 118.46 2kuf h GLU 575 Ca 0.26 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 2kuf h GLU 575 Cb -0.05 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2kuf h GLU 575 CO -0.05 -0.22 0.32 -1.35 -0.73 0.00 0.00 179.01 176.98 2kuf h PRO 576 N -0.34 0.03 -0.69 0.92 0.11 -1.76 -1.75 132.00 128.54 2kuf h PRO 576 Ca 0.05 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 2kuf h PRO 576 Cb 0.40 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 2kuf h PRO 576 CO -0.17 0.02 0.28 0.00 -0.21 0.00 0.00 178.00 177.92 2kuf h ARG 577 N 0.04 1.01 -0.17 1.05 2.47 -0.57 -0.88 114.38 117.33 2kuf h ARG 577 Ca 0.21 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.79 2kuf h ARG 577 Cb 0.79 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 2kuf h ARG 577 CO -0.01 0.82 0.02 -0.07 0.56 0.00 0.00 179.97 181.30 2kuf h LEU 578 N 0.99 -0.01 -0.56 3.04 4.07 -0.56 0.23 115.31 122.51 2kuf h LEU 578 Ca 0.23 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 58.13 2kuf h LEU 578 Cb 0.18 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2kuf h LEU 578 CO -0.02 0.02 0.00 0.08 -1.08 0.00 0.00 178.44 177.44 2kuf h ARG 579 N 0.09 0.99 0.00 1.13 0.11 -1.56 0.59 114.38 115.74 2kuf h ARG 579 Ca 0.07 -0.32 -0.08 0.00 0.10 0.00 0.00 59.98 59.76 2kuf h ARG 579 Cb 0.07 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 2kuf h ARG 579 CO -0.11 0.99 -0.39 0.00 0.10 0.00 0.00 179.97 180.57 2kuf h ALA 580 N 0.97 1.13 -0.00 0.08 0.00 -0.70 -2.38 119.26 118.36 2kuf h ALA 580 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kuf h ALA 580 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kuf h ALA 580 CO 0.03 0.49 -0.46 -0.11 0.00 0.00 0.00 179.25 179.20 2kuf n LEU 581 N -3.75 0.55 -1.54 0.00 7.94 0.76 -4.95 117.00 116.00 2kuf n LEU 581 Ca -0.01 -0.02 -0.12 0.00 -1.11 0.00 0.00 56.01 54.75 2kuf n LEU 581 Cb 0.47 -0.24 0.01 0.00 0.53 0.00 0.00 43.42 44.18 2kuf n LEU 581 CO 0.38 0.13 -0.09 0.61 -1.11 0.00 0.00 177.39 177.30 2kuf n GLY 582 N 1.48 -0.07 3.69 -3.96 0.00 -0.44 -4.99 105.19 100.90 2kuf n GLY 582 Ca 0.06 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.72 3.48 -0.10 1.61 -0.00 0.07 -4.95 118.94 116.35 2kuf s TRP 583 Ca 0.07 1.15 0.15 0.00 -0.00 0.00 0.00 56.10 57.47 2kuf s TRP 583 Cb -0.03 -2.84 -0.20 0.00 -0.00 0.00 0.00 33.47 30.40 2kuf s TRP 583 CO 0.09 -0.05 0.64 0.25 -0.00 0.00 0.00 176.95 177.88 2kuf n THR 584 N 4.24 1.36 -1.23 5.86 -2.24 -1.26 -4.59 114.28 116.41 2kuf n THR 584 Ca -0.00 -0.75 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 2kuf n THR 584 Cb 0.50 -0.81 0.24 0.00 -2.10 0.00 0.00 70.33 68.17 2kuf n THR 584 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kuf s GLY 585 N -5.01 1.63 0.07 3.38 0.00 -0.94 -5.05 107.32 101.40 2kuf s GLY 585 Ca -0.05 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.60 2kuf s GLY 585 CO 0.82 -0.19 0.03 1.06 0.00 0.00 0.00 173.10 174.82 2kuf s MET 586 N -5.58 2.73 -0.44 2.90 -1.94 -1.26 -4.98 119.30 110.72 2kuf s MET 586 Ca 0.73 -0.73 -0.29 0.00 -1.71 0.00 0.00 55.69 53.69 2kuf s MET 586 Cb -0.07 -2.64 0.03 0.00 2.01 0.00 0.00 34.83 34.16 2kuf s MET 586 CO 0.55 0.57 1.10 -1.17 -0.01 0.00 0.00 175.02 176.06 2kuf s LEU 587 N -2.17 3.74 -0.35 -0.03 2.96 -1.26 -4.34 118.68 117.23 2kuf s LEU 587 Ca 0.26 0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 54.57 2kuf s LEU 587 Cb -0.12 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 2kuf s LEU 587 CO 0.18 -1.15 0.33 -0.62 -1.32 0.00 0.00 176.35 173.77 2kuf s ASP 588 N 2.26 6.15 -0.07 3.68 2.15 -0.94 -5.02 116.67 124.89 2kuf s ASP 588 Ca 0.46 -0.32 -0.18 0.00 0.43 0.00 0.00 52.55 52.94 2kuf s ASP 588 Cb -0.09 -2.18 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2kuf s ASP 588 CO 0.28 -0.33 0.48 -1.59 -0.17 0.00 0.00 175.17 173.84 2kuf s LYS 589 N 1.94 4.24 -0.09 4.34 0.00 -1.26 -0.64 119.74 128.26 2kuf s LYS 589 Ca 0.10 0.50 -0.02 0.00 0.00 0.00 0.00 55.97 56.55 2kuf s LYS 589 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 37.83 34.29 2kuf s LYS 589 CO 0.11 0.33 -0.04 0.78 0.00 0.00 0.00 175.35 176.53 2kuf h GLY 590 N 6.00 0.00 -4.99 0.59 0.00 -1.08 -3.46 103.07 100.12 2kuf h GLY 590 Ca -0.44 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 2kuf h GLY 590 CO 0.71 0.00 -0.70 0.00 0.00 0.00 0.00 176.54 176.55 2kuf s ALA 591 N -2.67 0.15 0.25 3.60 0.00 -1.26 -5.07 121.76 116.75 2kuf s ALA 591 Ca -0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2kuf s ALA 591 Cb 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 2kuf s ALA 591 CO 0.05 -0.14 0.58 0.16 0.00 0.00 0.00 175.76 176.41 2kuf s ASP 592 N -1.39 6.64 -0.06 0.00 -4.77 -1.26 -3.52 116.67 112.32 2kuf s ASP 592 Ca -0.15 0.97 0.05 0.00 -3.30 0.00 0.00 52.55 50.12 2kuf s ASP 592 Cb -0.09 -2.25 -0.02 0.00 -1.09 0.00 0.00 42.92 39.47 2kuf s ASP 592 CO -0.01 -0.10 -0.20 -0.69 0.70 0.00 0.00 175.17 174.87 2kuf s VAL 593 N -1.85 2.49 -0.48 2.11 1.01 0.72 -4.91 120.40 119.49 2kuf s VAL 593 Ca 0.48 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2kuf s VAL 593 Cb -0.11 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2kuf s VAL 593 CO 0.21 0.57 1.54 -1.81 0.00 0.00 0.00 175.10 175.61 2kuf s ASP 594 N -0.33 6.05 0.09 3.32 1.11 -1.26 0.31 116.67 125.95 2kuf s ASP 594 Ca 0.02 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.40 2kuf s ASP 594 Cb -0.13 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2kuf s ASP 594 CO 0.02 -1.70 0.00 0.00 1.18 0.00 0.00 175.17 174.67 2kuf n ALA 595 N 9.84 3.00 0.00 5.23 0.00 -1.26 -4.92 120.51 132.40 2kuf n ALA 595 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kuf n ALA 595 Cb 0.49 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 3.46 -0.51 0.35 0.00 0.00 -1.26 -4.29 105.19 102.94 2kuf n GLY 596 Ca 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 0.58 2.00 -0.02 0.00 -1.93 -0.94 103.07 102.76 2kuf h GLY 597 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 2kuf h GLY 597 CO 0.00 0.10 -0.32 0.23 0.00 0.00 0.00 176.54 176.55 2kuf h SER 598 N 0.41 0.00 -0.02 0.19 0.87 -2.05 -2.28 113.55 110.67 2kuf h SER 598 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 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 -0.08 0.32 -0.34 0.00 -0.53 0.00 0.00 176.83 176.21 2kuf n GLN 599 N -3.42 1.53 -0.67 2.24 1.13 -0.56 -5.05 117.38 112.58 2kuf n GLN 599 Ca 0.00 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 2kuf n GLN 599 Cb 0.51 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 0.37 -1.44 -1.21 1.08 8.25 -0.47 -4.78 115.22 117.03 2kuf n HIS 600 Ca 0.11 0.78 -0.20 0.00 -0.26 0.00 0.00 57.72 58.15 2kuf n HIS 600 Cb 0.51 -2.25 -0.12 0.00 1.12 0.00 0.00 29.99 29.24 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 0.03 5.98 -4.88 0.41 4.13 -1.25 -4.65 115.26 115.02 2kuf n ASN 601 Ca 0.00 -2.74 -0.30 0.00 1.68 0.00 0.00 54.58 53.22 2kuf n ASN 601 Cb 0.00 -1.37 -0.01 0.00 -1.54 0.00 0.00 39.78 36.86 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2kuf s ARG 602 N 0.15 3.66 0.17 3.52 0.52 -1.26 -3.97 118.95 121.74 2kuf s ARG 602 Ca 0.64 0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 56.06 2kuf s ARG 602 Cb 0.33 -2.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 2kuf s ARG 602 CO -0.08 -0.29 1.43 0.08 0.02 0.00 0.00 175.30 176.47 2kuf s VAL 603 N -2.78 2.98 -0.24 3.52 1.01 0.93 0.35 120.40 126.17 2kuf s VAL 603 Ca 0.52 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 2kuf s VAL 603 Cb -0.10 -3.47 -0.17 0.00 0.00 0.00 0.00 36.38 32.63 2kuf s VAL 603 CO 0.43 0.08 -0.13 0.52 0.00 0.00 0.00 175.10 176.00 2kuf n VAL 604 N 3.41 1.55 -3.67 2.92 0.31 -0.21 -4.12 118.33 118.53 2kuf n VAL 604 Ca 0.10 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 2kuf n VAL 604 Cb 0.41 -1.67 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.47 -0.05 3.52 5.04 -1.05 -4.97 117.35 116.85 2kuf s TYR 605 Ca -0.34 0.99 0.04 0.00 -2.44 0.00 0.00 57.07 55.32 2kuf s TYR 605 Cb 0.10 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.63 2kuf s TYR 605 CO 0.59 -0.39 -0.16 1.14 -1.34 0.00 0.00 175.55 175.39 2kuf s GLN 606 N -0.56 1.84 0.05 4.97 -2.07 -1.26 -0.37 119.66 122.26 2kuf s GLN 606 Ca -0.07 -0.57 -0.25 0.00 -1.82 0.00 0.00 55.36 52.65 2kuf s GLN 606 Cb -0.03 -1.55 -0.17 0.00 -1.09 0.00 0.00 33.01 30.17 2kuf s GLN 606 CO 0.04 0.18 1.54 -0.97 -1.32 0.00 0.00 175.29 174.76 2kuf h ASN 607 N 6.47 -0.10 -3.61 12.60 -1.24 -1.31 -3.38 115.58 125.01 2kuf h ASN 607 Ca -0.31 -0.15 -0.62 0.00 0.71 0.00 0.00 56.30 55.93 2kuf h ASN 607 Cb 1.18 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 40.14 2kuf h ASN 607 CO 0.48 0.09 0.40 -2.84 -1.29 0.00 0.00 177.43 174.26 2kuf s PRO 608 N -5.46 3.51 0.38 6.67 0.02 -1.26 -5.04 135.00 133.82 2kuf s PRO 608 Ca -0.14 0.04 -0.26 0.00 0.02 0.00 0.00 61.00 60.66 2kuf s PRO 608 Cb 0.04 -3.90 -0.09 0.00 0.02 0.00 0.00 34.50 30.57 2kuf s PRO 608 CO 0.65 -1.07 1.16 -1.25 -0.33 0.00 0.00 177.00 176.17 2kuf s PRO 609 N 3.32 4.14 0.34 5.54 0.04 -1.26 -4.98 135.00 142.13 2kuf s PRO 609 Ca 0.31 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 2kuf s PRO 609 Cb -0.12 -2.75 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 2kuf s PRO 609 CO 0.22 -0.24 1.34 0.00 0.04 0.00 0.00 177.00 178.35 2kuf s ALA 610 N -1.38 3.51 0.00 8.56 0.00 -1.26 -2.14 121.76 129.04 2kuf s ALA 610 Ca 0.55 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2kuf s ALA 610 Cb -0.31 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2kuf s ALA 610 CO 0.39 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2kuf n GLY 611 N 0.78 0.43 3.72 0.00 0.00 0.61 -4.87 105.19 105.86 2kuf n GLY 611 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.04 0.05 2.61 2.01 -0.91 -4.82 115.64 116.62 2kuf s THR 612 Ca 0.00 -1.24 -0.31 0.00 0.31 0.00 0.00 61.69 60.45 2kuf s THR 612 Cb 0.00 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 2kuf s THR 612 CO 0.00 -0.08 1.27 -0.83 -0.69 0.00 0.00 174.62 174.29 2kuf s GLY 613 N -2.93 2.19 -0.01 4.40 0.00 -1.26 -1.72 107.32 108.00 2kuf s GLY 613 Ca 0.29 0.88 0.04 0.00 0.00 0.00 0.00 44.72 45.92 2kuf s GLY 613 CO 0.20 2.20 -0.11 -1.34 0.00 0.00 0.00 173.10 174.06 2kuf s VAL 614 N 1.45 3.34 1.02 1.40 -7.23 0.86 -4.78 120.40 116.47 2kuf s VAL 614 Ca 0.60 -0.83 -0.23 0.00 -1.81 0.00 0.00 61.98 59.72 2kuf s VAL 614 Cb -0.31 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 2kuf s VAL 614 CO 0.28 0.44 -0.95 -0.46 -0.31 0.00 0.00 175.10 174.11 2kuf n ASN 615 N 1.77 -3.35 0.23 4.85 0.23 -1.26 -1.08 115.26 116.64 2kuf n ASN 615 Ca -0.16 0.03 0.17 0.00 -0.53 0.00 0.00 54.58 54.08 2kuf n ASN 615 Cb 0.52 -0.70 0.85 0.00 -2.08 0.00 0.00 39.78 38.38 2kuf n ASN 615 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2kuf h ARG 616 N -1.28 0.00 -0.00 -3.83 0.11 -1.31 0.40 114.38 108.47 2kuf h ARG 616 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2kuf h ARG 616 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 2kuf h ARG 616 CO 0.26 0.00 -0.49 -3.47 0.10 0.00 0.00 179.97 176.37 2kuf n ASP 617 N -3.78 0.97 -0.16 0.08 2.03 -1.26 -4.90 116.55 109.53 2kuf n ASP 617 Ca 0.01 -0.76 -0.02 0.00 0.52 0.00 0.00 54.79 54.53 2kuf n ASP 617 Cb 0.28 0.36 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 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 1.43 0.40 3.65 0.27 0.00 0.14 -2.21 105.19 108.87 2kuf n GLY 618 Ca 0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.59 3.85 -0.06 -0.61 -1.16 -1.26 -4.90 121.20 115.47 2kuf s ILE 619 Ca 0.00 1.01 0.05 0.00 -0.51 0.00 0.00 60.65 61.21 2kuf s ILE 619 Cb 0.00 -3.70 -0.01 0.00 0.61 0.00 0.00 42.46 39.36 2kuf s ILE 619 CO 0.00 -0.14 -0.23 0.27 -2.81 0.00 0.00 174.94 172.02 2kuf s ILE 620 N 4.10 1.93 -0.17 2.00 -4.36 -1.26 -4.84 121.20 118.60 2kuf s ILE 620 Ca 0.66 -0.99 -0.11 0.00 -0.26 0.00 0.00 60.65 59.95 2kuf s ILE 620 Cb -0.27 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 2kuf s ILE 620 CO 0.24 0.54 0.19 0.28 0.24 0.00 0.00 174.94 176.43 2kuf s THR 621 N -0.03 5.38 0.17 8.37 -1.32 -1.25 -2.20 115.64 124.75 2kuf s THR 621 Ca -0.06 0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 2kuf s THR 621 Cb -0.14 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.29 2kuf s THR 621 CO 0.04 0.45 0.09 -1.48 -2.21 0.00 0.00 174.62 171.51 2kuf s LEU 622 N 0.21 1.52 -0.03 9.08 2.34 0.19 -0.73 118.68 131.26 2kuf s LEU 622 Ca 0.12 -1.29 0.04 0.00 0.06 0.00 0.00 54.13 53.06 2kuf s LEU 622 Cb -0.12 0.30 -0.00 0.00 -0.56 0.00 0.00 46.19 45.80 2kuf s LEU 622 CO 0.01 -0.77 -0.16 0.00 -1.06 0.00 0.00 176.35 174.37 2kuf s ARG 623 N -4.09 1.62 0.11 1.48 1.70 0.50 -0.41 118.95 119.86 2kuf s ARG 623 Ca 0.31 -0.58 -0.02 0.00 -0.47 0.00 0.00 55.73 54.97 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 0.07 0.26 0.06 -0.59 -1.08 0.00 0.00 175.30 174.02 2kuf s PHE 624 N -0.05 0.65 0.03 5.89 -0.71 -1.23 -1.04 117.98 121.51 2kuf s PHE 624 Ca -0.01 -1.08 -0.30 0.00 -1.04 0.00 0.00 56.93 54.49 2kuf s PHE 624 Cb -0.10 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 2kuf s PHE 624 CO 0.01 -0.50 1.13 0.20 -1.34 0.00 0.00 175.22 174.72 2kuf s GLY 625 N -2.98 2.54 0.00 1.99 0.00 0.15 -0.20 107.32 108.82 2kuf s GLY 625 Ca 0.16 0.72 0.07 0.00 0.00 0.00 0.00 44.72 45.67 2kuf s GLY 625 CO -0.03 1.94 0.89 0.61 0.00 0.00 0.00 173.10 176.51