#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kuf s PRO 492 N 0.00 3.25 0.03 1.61 0.04 -1.26 -4.93 135.00 133.74 2kuf s PRO 492 Ca 0.00 2.16 0.24 0.00 0.04 0.00 0.00 61.00 63.43 2kuf s PRO 492 Cb 0.00 -2.28 0.26 0.00 0.04 0.00 0.00 34.50 32.52 2kuf s PRO 492 CO 0.00 -1.08 1.23 0.00 0.04 0.00 0.00 177.00 177.19 2kuf n ALA 493 N -0.94 3.62 -3.03 8.56 0.00 -1.26 -4.78 120.51 122.68 2kuf n ALA 493 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 2kuf n ALA 493 Cb 0.45 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.07 0.05 -0.01 0.00 -4.23 -1.26 -0.76 115.64 106.37 2kuf s THR 494 Ca 0.08 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2kuf s THR 494 Cb 0.16 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.72 2kuf s THR 494 CO 0.75 -0.24 0.02 -0.75 -0.54 0.00 0.00 174.62 173.86 2kuf s LYS 495 N -0.77 0.05 0.26 3.99 2.47 0.10 -4.81 119.74 121.03 2kuf s LYS 495 Ca -0.09 -0.02 -0.29 0.00 -1.56 0.00 0.00 55.97 54.01 2kuf s LYS 495 Cb -0.05 0.02 -0.09 0.00 -1.46 0.00 0.00 37.83 36.25 2kuf s LYS 495 CO 0.00 -0.01 0.97 0.16 0.16 0.00 0.00 175.35 176.64 2kuf s ASP 496 N -0.11 7.53 -0.09 1.43 -4.77 -1.26 -0.68 116.67 118.73 2kuf s ASP 496 Ca -0.01 2.00 -0.12 0.00 -3.30 0.00 0.00 52.55 51.12 2kuf s ASP 496 Cb -0.01 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.16 2kuf s ASP 496 CO -0.00 0.07 0.29 0.27 0.70 0.00 0.00 175.17 176.50 2kuf s ILE 497 N -1.22 5.27 0.96 2.11 -4.36 -0.75 -4.88 121.20 118.32 2kuf s ILE 497 Ca 0.43 0.55 -0.16 0.00 -0.26 0.00 0.00 60.65 61.21 2kuf s ILE 497 Cb -0.26 -3.59 0.19 0.00 1.25 0.00 0.00 42.46 40.05 2kuf s ILE 497 CO 0.33 0.54 1.29 -2.16 0.24 0.00 0.00 174.94 175.18 2kuf s PRO 498 N -0.61 0.68 -0.45 0.37 0.04 -1.26 0.04 135.00 133.81 2kuf s PRO 498 Ca 0.19 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.67 2kuf s PRO 498 Cb -0.14 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2kuf s PRO 498 CO 0.07 -2.40 0.86 0.34 0.04 0.00 0.00 177.00 175.91 2kuf s ASP 499 N -4.77 6.47 -0.03 6.66 -1.08 -1.26 -4.52 116.67 118.13 2kuf s ASP 499 Ca 0.72 0.04 0.06 0.00 -0.52 0.00 0.00 52.55 52.85 2kuf s ASP 499 Cb -0.05 -2.42 0.14 0.00 -1.46 0.00 0.00 42.92 39.12 2kuf s ASP 499 CO 0.53 -0.98 1.10 1.33 0.52 0.00 0.00 175.17 177.66 2kuf n VAL 500 N 6.27 1.23 -2.75 1.11 0.24 -1.26 -4.96 118.33 118.22 2kuf n VAL 500 Ca 0.04 -1.27 -0.42 0.00 -2.04 0.00 0.00 64.34 60.65 2kuf n VAL 500 Cb 0.48 0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.43 3.02 0.00 2.33 0.00 -1.26 -3.60 121.76 120.82 2kuf s ALA 501 Ca 0.12 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2kuf s ALA 501 Cb 0.09 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2kuf s ALA 501 CO 0.04 -2.78 0.00 0.41 0.00 0.00 0.00 175.76 173.42 2kuf n GLY 502 N 5.26 0.48 1.55 0.00 0.00 -1.23 -5.00 105.19 106.24 2kuf n GLY 502 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.92 -1.72 1.61 0.00 -1.24 -4.91 117.38 112.05 2kuf n GLN 503 Ca 0.00 -1.28 -0.33 0.00 0.00 0.00 0.00 57.00 55.40 2kuf n GLN 503 Cb 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 30.24 30.25 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 -0.59 3.26 0.19 -0.39 2.01 -1.26 -2.24 115.64 116.62 2kuf s THR 504 Ca 0.21 0.57 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 2kuf s THR 504 Cb -0.02 -3.09 0.11 0.00 0.01 0.00 0.00 72.50 69.51 2kuf s THR 504 CO 0.14 -0.38 1.80 1.62 -0.69 0.00 0.00 174.62 177.11 2kuf h VAL 505 N -0.07 1.21 -0.70 3.82 3.04 -0.35 0.38 116.25 123.59 2kuf h VAL 505 Ca -0.46 -0.53 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 2kuf h VAL 505 Cb 1.24 0.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 2kuf h VAL 505 CO 0.54 0.23 0.15 -0.78 -1.01 0.00 0.00 177.57 176.70 2kuf h ASP 506 N 0.91 1.07 -0.33 3.17 3.58 -1.92 0.23 116.42 123.13 2kuf h ASP 506 Ca 0.23 -0.24 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2kuf h ASP 506 Cb 0.05 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2kuf h ASP 506 CO -0.04 1.03 -0.45 0.58 -2.88 0.00 0.00 179.24 177.48 2kuf h VAL 507 N 1.06 1.27 -0.42 2.25 2.07 -1.81 -0.52 116.25 120.16 2kuf h VAL 507 Ca 0.22 -1.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 2kuf h VAL 507 Cb 0.39 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2kuf h VAL 507 CO 0.01 0.54 0.12 0.00 0.02 0.00 0.00 177.57 178.26 2kuf h ALA 508 N 0.76 0.56 -0.68 1.67 0.00 0.27 0.48 119.26 122.32 2kuf h ALA 508 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kuf h ALA 508 Cb 1.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2kuf h ALA 508 CO 0.11 0.22 0.28 1.96 0.00 0.00 0.00 179.25 181.81 2kuf h GLN 509 N 0.55 1.02 -0.54 0.00 4.20 -0.44 0.26 115.11 120.16 2kuf h GLN 509 Ca 0.14 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2kuf h GLN 509 Cb 0.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2kuf h GLN 509 CO -0.00 0.84 -0.05 0.87 -0.67 0.00 0.00 178.83 179.82 2kuf h LYS 510 N 0.97 0.95 -0.14 1.46 1.79 -0.82 0.14 116.57 120.92 2kuf h LYS 510 Ca 0.23 -0.31 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2kuf h LYS 510 Cb 0.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2kuf h LYS 510 CO -0.02 0.97 0.07 -0.91 -1.08 0.00 0.00 179.45 178.48 2kuf h ASN 511 N 0.87 0.17 -0.78 0.86 -0.26 0.52 -2.19 115.58 114.76 2kuf h ASN 511 Ca 0.15 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2kuf h ASN 511 Cb 0.58 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.75 2kuf h ASN 511 CO 0.03 0.23 0.51 0.25 -1.06 0.00 0.00 177.43 177.40 2kuf h LEU 512 N 0.10 0.87 -1.45 1.61 7.12 -0.33 -1.64 115.31 121.60 2kuf h LEU 512 Ca 0.05 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kuf h LEU 512 Cb 0.10 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.00 2kuf h LEU 512 CO -0.01 0.62 0.31 -1.13 -0.13 0.00 0.00 178.44 178.11 2kuf h ASN 513 N 1.03 0.60 -0.34 1.25 -0.00 -0.45 0.21 115.58 117.89 2kuf h ASN 513 Ca 0.30 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 56.51 2kuf h ASN 513 Cb -0.08 -0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.07 2kuf h ASN 513 CO -0.08 0.46 0.03 0.58 -0.00 0.00 0.00 177.43 178.42 2kuf h VAL 514 N 0.70 1.22 -0.36 2.57 2.07 -0.67 0.38 116.25 122.16 2kuf h VAL 514 Ca 0.18 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2kuf h VAL 514 Cb -0.03 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2kuf h VAL 514 CO -0.04 0.31 0.00 -1.22 0.02 0.00 0.00 177.57 176.64 2kuf n TYR 515 N -4.26 0.46 0.10 1.57 4.01 -0.68 -4.68 117.16 113.69 2kuf n TYR 515 Ca 0.02 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2kuf n TYR 515 Cb 0.26 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.39 -0.19 2.41 2.72 0.00 0.66 -4.85 105.19 107.32 2kuf n GLY 516 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.36 -0.97 -2.23 1.61 3.72 0.13 -4.98 117.46 111.38 2kuf n PHE 517 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kuf n PHE 517 Cb 0.03 -3.93 0.00 0.00 -0.94 0.00 0.00 39.48 34.64 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 -3.92 0.00 -4.42 4.37 -2.24 -1.26 -5.10 114.28 101.71 2kuf n THR 518 Ca -0.24 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 2kuf n THR 518 Cb 0.69 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 2kuf n THR 518 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kuf s LYS 519 N 0.00 3.04 0.07 -0.78 2.20 -1.26 -4.98 119.74 118.02 2kuf s LYS 519 Ca 0.00 -0.45 0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2kuf s LYS 519 Cb 0.00 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 2kuf s LYS 519 CO 0.00 0.63 -0.16 -0.59 -0.36 0.00 0.00 175.35 174.87 2kuf s PHE 520 N -0.69 1.38 0.03 4.03 -0.12 -1.26 -0.32 117.98 121.02 2kuf s PHE 520 Ca 0.11 -0.42 -0.01 0.00 -0.05 0.00 0.00 56.93 56.57 2kuf s PHE 520 Cb -0.12 -0.78 -0.02 0.00 -0.63 0.00 0.00 43.02 41.47 2kuf s PHE 520 CO 0.02 0.08 -0.02 -1.12 -0.05 0.00 0.00 175.22 174.13 2kuf s SER 521 N -1.57 0.29 0.01 1.98 0.01 0.51 -4.88 113.70 110.05 2kuf s SER 521 Ca 0.01 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 56.75 2kuf s SER 521 Cb -0.09 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2kuf s SER 521 CO 0.02 -0.38 -0.26 0.00 0.41 0.00 0.00 173.24 173.04 2kuf s GLN 522 N -2.05 1.92 -0.03 12.44 -2.07 -1.26 -0.23 119.66 128.38 2kuf s GLN 522 Ca -0.10 -1.00 0.03 0.00 -1.82 0.00 0.00 55.36 52.46 2kuf s GLN 522 Cb -0.06 -1.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.90 2kuf s GLN 522 CO -0.03 0.53 -0.09 0.00 -1.32 0.00 0.00 175.29 174.37 2kuf s ALA 523 N -0.70 0.89 -0.10 2.60 0.00 0.40 -4.92 121.76 119.93 2kuf s ALA 523 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 2kuf s ALA 523 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2kuf s ALA 523 CO 0.00 0.15 0.04 -1.54 0.00 0.00 0.00 175.76 174.42 2kuf s SER 524 N 0.17 5.58 0.15 0.00 1.04 -1.26 -0.09 113.70 119.29 2kuf s SER 524 Ca -0.03 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.72 2kuf s SER 524 Cb -0.08 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 2kuf s SER 524 CO 0.01 0.38 -0.21 0.54 0.98 0.00 0.00 173.24 174.94 2kuf s VAL 525 N -0.86 1.90 0.09 5.02 0.11 0.34 -4.89 120.40 122.11 2kuf s VAL 525 Ca 0.13 -1.80 -0.25 0.00 -2.93 0.00 0.00 61.98 57.13 2kuf s VAL 525 Cb -0.12 -1.80 -0.06 0.00 -1.53 0.00 0.00 36.38 32.87 2kuf s VAL 525 CO 0.03 -0.17 0.76 1.51 -3.33 0.00 0.00 175.10 173.89 2kuf s ASP 526 N -2.38 7.27 0.24 3.54 -4.77 -1.26 -0.77 116.67 118.54 2kuf s ASP 526 Ca 0.13 1.51 -0.10 0.00 -3.30 0.00 0.00 52.55 50.79 2kuf s ASP 526 Cb -0.08 -2.47 -0.01 0.00 -1.09 0.00 0.00 42.92 39.27 2kuf s ASP 526 CO 0.06 0.10 0.41 -0.44 0.70 0.00 0.00 175.17 176.00 2kuf s SER 527 N -0.53 -0.04 0.35 2.11 0.01 0.07 -4.85 113.70 110.82 2kuf s SER 527 Ca 0.37 -1.02 0.27 0.00 1.31 0.00 0.00 55.95 56.88 2kuf s SER 527 Cb -0.21 0.54 1.11 0.00 0.21 0.00 0.00 66.02 67.67 2kuf s SER 527 CO 0.24 -1.08 1.80 -0.65 0.41 0.00 0.00 173.24 173.96 2kuf h PRO 528 N 2.33 0.00 -6.49 12.44 0.11 -1.82 -3.36 132.00 135.21 2kuf h PRO 528 Ca -0.28 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.31 2kuf h PRO 528 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2kuf h PRO 528 CO 0.39 0.00 0.29 1.03 -0.21 0.00 0.00 178.00 179.50 2kuf s ARG 529 N -3.43 4.64 0.84 1.05 3.00 -1.26 -4.87 118.95 118.92 2kuf s ARG 529 Ca 0.03 1.33 -0.13 0.00 0.00 0.00 0.00 55.73 56.96 2kuf s ARG 529 Cb 0.09 -3.36 0.06 0.00 0.00 0.00 0.00 34.95 31.74 2kuf s ARG 529 CO 0.44 0.26 0.89 -2.30 0.00 0.00 0.00 175.30 174.59 2kuf n PRO 530 N 2.70 0.01 -1.58 3.54 -0.02 -1.26 -2.03 135.00 136.35 2kuf n PRO 530 Ca 0.00 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 2kuf n PRO 530 Cb 0.49 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.22 2.13 0.00 3.55 0.00 -1.19 -2.56 121.76 121.48 2kuf s ALA 531 Ca 0.67 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kuf s ALA 531 Cb -0.28 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.62 2kuf s ALA 531 CO 0.57 -3.71 0.00 0.41 0.00 0.00 0.00 175.76 173.03 2kuf n GLY 532 N 5.90 0.72 3.80 0.00 0.00 -0.98 -4.94 105.19 109.68 2kuf n GLY 532 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 4.43 -0.30 1.61 2.12 -1.06 0.37 118.70 125.87 2kuf s GLU 533 Ca 0.00 1.11 -0.18 0.00 0.36 0.00 0.00 54.97 56.26 2kuf s GLU 533 Cb 0.00 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 2kuf s GLU 533 CO 0.00 0.33 0.54 0.54 -0.54 0.00 0.00 175.26 176.13 2kuf s VAL 534 N -1.58 5.02 0.36 3.70 0.11 -0.95 0.07 120.40 127.14 2kuf s VAL 534 Ca 0.47 0.69 0.11 0.00 -2.93 0.00 0.00 61.98 60.32 2kuf s VAL 534 Cb -0.18 -3.91 0.10 0.00 -1.53 0.00 0.00 36.38 30.86 2kuf s VAL 534 CO 0.22 -0.07 1.83 0.74 -3.33 0.00 0.00 175.10 174.49 2kuf h THR 535 N 5.51 1.25 0.00 5.04 2.02 -1.12 -3.26 112.91 122.35 2kuf h THR 535 Ca -0.28 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2kuf h THR 535 Cb 1.13 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2kuf h THR 535 CO 0.75 0.35 0.00 0.61 0.37 0.00 0.00 175.52 177.60 2kuf n GLY 536 N -0.51 -0.74 3.46 2.16 0.00 -1.22 -4.87 105.19 103.46 2kuf n GLY 536 Ca -0.02 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.85 2.76 0.11 2.61 -4.23 -1.26 -0.10 115.64 112.67 2kuf s THR 537 Ca 0.00 -1.37 -0.22 0.00 -1.18 0.00 0.00 61.69 58.92 2kuf s THR 537 Cb 0.00 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.54 2kuf s THR 537 CO 0.00 0.22 1.72 -1.13 -0.54 0.00 0.00 174.62 174.88 2kuf h ASN 538 N 4.15 -0.13 -3.32 3.99 -1.24 -1.62 -3.38 115.58 114.03 2kuf h ASN 538 Ca -0.49 0.03 -0.53 0.00 0.71 0.00 0.00 56.30 56.02 2kuf h ASN 538 Cb 1.16 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.28 2kuf h ASN 538 CO 0.46 -0.06 0.48 -2.16 -1.29 0.00 0.00 177.43 174.87 2kuf s PRO 539 N -6.19 4.50 0.37 6.67 0.04 -1.26 -5.00 135.00 134.14 2kuf s PRO 539 Ca -0.13 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.28 2kuf s PRO 539 Cb 0.08 -3.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 2kuf s PRO 539 CO 0.67 -0.13 1.31 -2.30 0.04 0.00 0.00 177.00 176.58 2kuf n PRO 540 N 3.66 2.12 -1.77 0.56 -0.02 -1.26 -4.91 135.00 133.38 2kuf n PRO 540 Ca 0.07 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 2kuf n PRO 540 Cb 0.48 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2kuf n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kuf s ALA 541 N -1.14 3.66 0.00 3.55 0.00 -1.26 -2.05 121.76 124.52 2kuf s ALA 541 Ca 0.57 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2kuf s ALA 541 Cb -0.54 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kuf s ALA 541 CO 0.61 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2kuf n GLY 542 N 1.20 0.99 3.76 0.00 0.00 0.11 -4.93 105.19 106.33 2kuf n GLY 542 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2kuf n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kuf s THR 543 N -2.24 4.55 -0.07 2.61 2.01 -0.87 -4.68 115.64 116.94 2kuf s THR 543 Ca 0.00 1.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.40 2kuf s THR 543 Cb 0.00 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2kuf s THR 543 CO 0.00 0.44 0.89 0.28 -0.69 0.00 0.00 174.62 175.55 2kuf s THR 544 N -0.61 4.89 0.20 -0.82 -1.32 -1.26 -1.81 115.64 114.91 2kuf s THR 544 Ca 0.37 1.84 0.10 0.00 -1.21 0.00 0.00 61.69 62.79 2kuf s THR 544 Cb -0.22 -4.22 -0.04 0.00 -1.51 0.00 0.00 72.50 66.51 2kuf s THR 544 CO 0.25 0.12 -0.19 0.68 -2.21 0.00 0.00 174.62 173.26 2kuf s VAL 545 N 1.42 2.07 0.30 5.08 -7.23 0.14 -4.85 120.40 117.32 2kuf s VAL 545 Ca 0.45 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 2kuf s VAL 545 Cb -0.19 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 2kuf s VAL 545 CO 0.20 -0.33 1.39 -2.84 -0.31 0.00 0.00 175.10 173.21 2kuf s PRO 546 N -3.05 4.29 0.59 4.82 0.02 -1.26 0.00 135.00 140.40 2kuf s PRO 546 Ca 0.21 2.30 0.38 0.00 0.02 0.00 0.00 61.00 63.91 2kuf s PRO 546 Cb -0.05 -3.08 1.87 0.00 0.02 0.00 0.00 34.50 33.26 2kuf s PRO 546 CO 0.09 -0.34 2.15 -0.24 -0.33 0.00 0.00 177.00 178.34 2kuf h VAL 547 N 3.27 0.00 0.00 3.83 3.04 -1.25 -1.54 116.25 123.60 2kuf h VAL 547 Ca -0.48 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2kuf h VAL 547 Cb 1.22 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2kuf h VAL 547 CO 0.71 0.00 -0.57 -0.67 -1.01 0.00 0.00 177.57 176.03 2kuf n ASP 548 N -3.03 0.57 -4.92 3.17 2.03 -1.26 -4.70 116.55 108.42 2kuf n ASP 548 Ca -0.01 -0.07 -0.26 0.00 0.52 0.00 0.00 54.79 54.96 2kuf n ASP 548 Cb 0.18 0.23 0.02 0.00 -0.72 0.00 0.00 41.12 40.83 2kuf n ASP 548 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kuf s SER 549 N -3.56 5.75 -0.11 1.67 0.01 -0.58 -5.01 113.70 111.88 2kuf s SER 549 Ca 0.09 0.71 -0.10 0.00 1.31 0.00 0.00 55.95 57.96 2kuf s SER 549 Cb 0.16 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2kuf s SER 549 CO 0.71 -0.93 0.22 0.54 0.41 0.00 0.00 173.24 174.19 2kuf s VAL 550 N -2.89 5.37 -0.07 3.43 0.11 -1.26 -4.27 120.40 120.81 2kuf s VAL 550 Ca 0.52 0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 59.82 2kuf s VAL 550 Cb -0.10 -3.51 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 2kuf s VAL 550 CO 0.44 0.56 0.37 -0.63 -3.33 0.00 0.00 175.10 172.51 2kuf s ILE 551 N -0.70 5.17 -0.26 7.04 1.01 0.56 -4.94 121.20 129.08 2kuf s ILE 551 Ca 0.16 0.73 -0.09 0.00 0.00 0.00 0.00 60.65 61.45 2kuf s ILE 551 Cb -0.13 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2kuf s ILE 551 CO 0.05 0.49 0.13 -0.70 0.00 0.00 0.00 174.94 174.91 2kuf s GLU 552 N -0.36 3.79 -0.24 2.79 2.56 -1.26 -0.36 118.70 125.62 2kuf s GLU 552 Ca 0.21 -0.40 -0.09 0.00 0.00 0.00 0.00 54.97 54.69 2kuf s GLU 552 Cb -0.15 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.46 2kuf s GLU 552 CO 0.09 -0.19 0.12 -0.51 -0.56 0.00 0.00 175.26 174.22 2kuf s LEU 553 N 1.68 3.82 -0.20 2.70 2.01 0.68 -1.42 118.68 127.95 2kuf s LEU 553 Ca 0.07 -0.03 -0.24 0.00 0.01 0.00 0.00 54.13 53.93 2kuf s LEU 553 Cb -0.16 -2.02 -0.01 0.00 0.01 0.00 0.00 46.19 44.01 2kuf s LEU 553 CO 0.07 0.02 0.81 -1.10 1.01 0.00 0.00 176.35 177.16 2kuf s GLN 554 N 1.30 4.25 -0.15 1.70 1.11 0.85 -0.46 119.66 128.26 2kuf s GLN 554 Ca 0.06 0.94 -0.10 0.00 0.01 0.00 0.00 55.36 56.27 2kuf s GLN 554 Cb -0.15 -3.60 -0.05 0.00 -1.01 0.00 0.00 33.01 28.21 2kuf s GLN 554 CO 0.05 -0.39 0.19 0.08 0.01 0.00 0.00 175.29 175.23 2kuf s VAL 555 N 2.38 5.39 -0.29 1.09 1.01 0.88 -0.53 120.40 130.32 2kuf s VAL 555 Ca 0.36 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.41 2kuf s VAL 555 Cb -0.16 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2kuf s VAL 555 CO 0.10 0.50 0.85 -0.44 0.00 0.00 0.00 175.10 176.11 2kuf s SER 556 N -0.20 6.75 -0.13 3.32 0.01 0.11 -0.50 113.70 123.06 2kuf s SER 556 Ca 0.13 0.83 -0.13 0.00 1.31 0.00 0.00 55.95 58.09 2kuf s SER 556 Cb -0.12 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 2kuf s SER 556 CO 0.02 -0.63 0.27 -1.59 0.41 0.00 0.00 173.24 171.72 2kuf s LYS 557 N 3.04 4.06 0.61 12.44 -2.85 0.05 -2.31 119.74 134.77 2kuf s LYS 557 Ca 0.35 0.08 0.33 0.00 -1.00 0.00 0.00 55.97 55.74 2kuf s LYS 557 Cb -0.14 -3.35 1.97 0.00 -2.06 0.00 0.00 37.83 34.24 2kuf s LYS 557 CO 0.12 0.41 2.28 0.78 0.10 0.00 0.00 175.35 179.04 2kuf h GLY 558 N 6.08 0.00 0.00 0.59 0.00 -1.55 0.24 103.07 108.43 2kuf h GLY 558 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2kuf h GLY 558 CO 0.70 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.23 2kuf n ASN 559 N -3.66 0.00 -4.53 0.19 2.85 -1.26 -4.65 115.26 104.19 2kuf n ASN 559 Ca -0.03 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.11 2kuf n ASN 559 Cb 0.08 -0.01 -0.12 0.00 1.24 0.00 0.00 39.78 40.97 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 2.53 0.21 1.20 -0.21 -1.26 -0.25 119.66 121.88 2kuf s GLN 560 Ca 0.00 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 54.78 2kuf s GLN 560 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 2kuf s GLN 560 CO 0.00 0.62 -0.18 -0.59 -2.12 0.00 0.00 175.29 173.02 2kuf s PHE 561 N -0.85 1.95 0.08 0.91 -0.12 0.43 -4.79 117.98 115.59 2kuf s PHE 561 Ca 0.14 -0.46 -0.31 0.00 -0.05 0.00 0.00 56.93 56.25 2kuf s PHE 561 Cb -0.11 -0.91 -0.09 0.00 -0.63 0.00 0.00 43.02 41.29 2kuf s PHE 561 CO 0.03 0.46 1.66 0.54 -0.05 0.00 0.00 175.22 177.87 2kuf s VAL 562 N -2.49 2.98 0.03 -2.49 0.11 -1.26 -0.35 120.40 116.94 2kuf s VAL 562 Ca 0.23 0.45 -0.26 0.00 -2.93 0.00 0.00 61.98 59.47 2kuf s VAL 562 Cb -0.04 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 2kuf s VAL 562 CO 0.09 0.00 0.80 -0.32 -3.33 0.00 0.00 175.10 172.35 2kuf s MET 563 N 2.56 4.52 1.06 1.54 1.75 0.93 -4.89 119.30 126.77 2kuf s MET 563 Ca 0.74 1.13 -0.13 0.00 -1.25 0.00 0.00 55.69 56.18 2kuf s MET 563 Cb -0.40 -3.39 0.22 0.00 2.84 0.00 0.00 34.83 34.10 2kuf s MET 563 CO 0.32 0.21 1.07 -1.25 -0.65 0.00 0.00 175.02 174.73 2kuf s PRO 564 N 0.17 -0.06 0.07 4.11 0.04 -1.26 -2.13 135.00 135.94 2kuf s PRO 564 Ca 0.41 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 2kuf s PRO 564 Cb -0.21 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2kuf s PRO 564 CO 0.24 -3.08 0.86 0.16 0.04 0.00 0.00 177.00 175.22 2kuf s ASP 565 N -3.16 7.34 -0.01 6.66 -4.77 -1.26 -4.68 116.67 116.79 2kuf s ASP 565 Ca 0.66 1.60 0.01 0.00 -3.30 0.00 0.00 52.55 51.52 2kuf s ASP 565 Cb -0.21 -2.52 0.01 0.00 -1.09 0.00 0.00 42.92 39.11 2kuf s ASP 565 CO 0.60 -0.04 0.75 0.00 0.70 0.00 0.00 175.17 177.18 2kuf n LEU 566 N 2.91 0.25 -4.84 2.11 -0.00 -1.26 -5.09 117.00 111.07 2kuf n LEU 566 Ca 0.00 -0.66 -0.32 0.00 -0.00 0.00 0.00 56.01 55.03 2kuf n LEU 566 Cb 0.50 -0.02 -0.05 0.00 -0.00 0.00 0.00 43.42 43.85 2kuf n LEU 566 CO 0.49 0.16 0.63 -0.55 -0.00 0.00 0.00 177.39 178.12 2kuf s SER 567 N -0.58 6.72 -1.55 1.45 0.15 -1.26 -4.15 113.70 114.48 2kuf s SER 567 Ca 0.02 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.21 2kuf s SER 567 Cb 0.01 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2kuf s SER 567 CO 0.00 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2kuf n GLY 568 N -1.17 0.45 3.50 9.45 0.00 -0.82 -4.95 105.19 111.65 2kuf n GLY 568 Ca 0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.28 1.77 0.42 1.61 0.23 -1.26 -4.77 119.30 113.01 2kuf s MET 569 Ca 0.00 -2.01 0.03 0.00 -1.03 0.00 0.00 55.69 52.67 2kuf s MET 569 Cb 0.00 -0.94 -0.00 0.00 -1.53 0.00 0.00 34.83 32.36 2kuf s MET 569 CO 0.00 -0.24 0.60 -0.06 -2.03 0.00 0.00 175.02 173.29 2kuf s PHE 570 N -3.19 3.13 0.48 3.16 0.08 -1.26 0.03 117.98 120.41 2kuf s PHE 570 Ca 0.32 0.02 0.15 0.00 0.12 0.00 0.00 56.93 57.54 2kuf s PHE 570 Cb 0.07 -2.24 1.14 0.00 -0.57 0.00 0.00 43.02 41.42 2kuf s PHE 570 CO 0.15 -0.28 2.07 2.35 -0.10 0.00 0.00 175.22 179.41 2kuf h TRP 571 N 0.56 0.01 0.00 0.36 2.91 -1.90 0.12 115.95 118.00 2kuf h TRP 571 Ca -0.45 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2kuf h TRP 571 Cb 1.26 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 2kuf h TRP 571 CO 0.43 0.09 0.00 -0.39 -1.03 0.00 0.00 178.44 177.54 2kuf h VAL 572 N 0.01 0.00 0.00 2.65 -1.51 -1.95 0.82 116.25 116.26 2kuf h VAL 572 Ca 0.00 -0.35 -0.29 0.00 -1.23 0.00 0.00 66.70 64.83 2kuf h VAL 572 Cb 0.15 1.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.44 2kuf h VAL 572 CO 0.01 0.00 -2.22 -0.67 -1.23 0.00 0.00 177.57 173.46 2kuf n ASP 573 N -2.44 0.41 -0.08 4.19 2.03 -0.32 -4.35 116.55 115.99 2kuf n ASP 573 Ca 0.02 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.26 2kuf n ASP 573 Cb 0.28 1.10 0.09 0.00 -0.72 0.00 0.00 41.12 41.88 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 1.06 0.87 -0.10 -1.67 0.00 -0.22 -2.80 119.26 116.40 2kuf h ALA 574 Ca -0.43 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.13 2kuf h ALA 574 Cb 1.96 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2kuf h ALA 574 CO 0.02 0.63 -0.10 1.49 0.00 0.00 0.00 179.25 181.29 2kuf h GLU 575 N 0.66 -0.12 -0.92 0.00 4.81 -1.05 -0.64 114.58 117.33 2kuf h GLU 575 Ca 0.09 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.49 2kuf h GLU 575 Cb 0.75 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.08 2kuf h GLU 575 CO 0.06 -0.08 0.59 -1.35 -0.73 0.00 0.00 179.01 177.50 2kuf h PRO 576 N -0.13 0.65 -0.76 0.92 0.11 -1.76 -1.24 132.00 129.80 2kuf h PRO 576 Ca 0.07 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.17 2kuf h PRO 576 Cb 0.23 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.14 2kuf h PRO 576 CO -0.17 0.43 0.48 0.00 -0.21 0.00 0.00 178.00 178.53 2kuf h ARG 577 N 0.67 0.92 -0.06 1.05 2.47 -0.90 0.07 114.38 118.60 2kuf h ARG 577 Ca 0.47 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 59.13 2kuf h ARG 577 Cb 0.81 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2kuf h ARG 577 CO -0.23 0.61 0.02 -0.07 0.56 0.00 0.00 179.97 180.86 2kuf h LEU 578 N 0.94 0.08 -0.57 3.04 4.07 0.02 -0.49 115.31 122.40 2kuf h LEU 578 Ca 0.31 -0.17 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 2kuf h LEU 578 Cb 0.02 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2kuf h LEU 578 CO -0.11 0.23 -0.12 0.08 -1.08 0.00 0.00 178.44 177.44 2kuf h ARG 579 N -0.08 1.02 -0.24 1.13 0.11 -1.32 -0.24 114.38 114.76 2kuf h ARG 579 Ca 0.02 -0.38 -0.14 0.00 0.10 0.00 0.00 59.98 59.58 2kuf h ARG 579 Cb 0.18 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2kuf h ARG 579 CO -0.00 1.06 -0.45 0.00 0.10 0.00 0.00 179.97 180.69 2kuf h ALA 580 N 0.95 0.77 0.00 0.08 0.00 -0.87 -2.49 119.26 117.71 2kuf h ALA 580 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kuf h ALA 580 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kuf h ALA 580 CO 0.05 0.66 -0.07 -0.11 0.00 0.00 0.00 179.25 179.78 2kuf n LEU 581 N -4.01 0.10 -3.31 0.00 7.94 -0.20 -4.91 117.00 112.61 2kuf n LEU 581 Ca -0.02 0.43 -0.22 0.00 -1.11 0.00 0.00 56.01 55.09 2kuf n LEU 581 Cb 0.55 -0.46 0.07 0.00 0.53 0.00 0.00 43.42 44.11 2kuf n LEU 581 CO 0.46 0.01 0.22 0.61 -1.11 0.00 0.00 177.39 177.59 2kuf n GLY 582 N 1.49 -0.41 3.70 -3.96 0.00 -0.62 -4.93 105.19 100.47 2kuf n GLY 582 Ca 0.07 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2kuf n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kuf s TRP 583 N -3.29 3.13 -0.13 1.61 -0.00 -0.20 -4.93 118.94 115.13 2kuf s TRP 583 Ca 0.52 1.02 -0.29 0.00 -0.00 0.00 0.00 56.10 57.35 2kuf s TRP 583 Cb -0.23 -3.58 -0.25 0.00 -0.00 0.00 0.00 33.47 29.41 2kuf s TRP 583 CO 0.66 -2.00 0.81 1.79 -0.00 0.00 0.00 176.95 178.21 2kuf h THR 584 N 4.68 1.75 -1.52 5.86 1.35 -1.81 -3.46 112.91 119.75 2kuf h THR 584 Ca -0.39 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2kuf h THR 584 Cb 1.19 3.27 0.00 0.00 -1.73 0.00 0.00 68.15 70.88 2kuf h THR 584 CO 0.87 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 177.33 2kuf n GLY 585 N 1.48 -2.22 3.60 5.82 0.00 -0.45 -5.06 105.19 108.37 2kuf n GLY 585 Ca -0.10 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 2kuf n GLY 585 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kuf s MET 586 N -2.84 2.15 -0.25 1.61 -1.94 -1.26 -5.02 119.30 111.75 2kuf s MET 586 Ca 0.00 -1.30 -0.24 0.00 -1.71 0.00 0.00 55.69 52.44 2kuf s MET 586 Cb 0.00 -2.17 -0.00 0.00 2.01 0.00 0.00 34.83 34.66 2kuf s MET 586 CO 0.00 0.42 0.82 -1.17 -0.01 0.00 0.00 175.02 175.08 2kuf s LEU 587 N -3.07 4.08 -0.51 -0.03 0.20 -1.26 -4.40 118.68 113.69 2kuf s LEU 587 Ca 0.27 1.01 -0.18 0.00 0.69 0.00 0.00 54.13 55.91 2kuf s LEU 587 Cb -0.08 -3.18 0.07 0.00 -0.43 0.00 0.00 46.19 42.57 2kuf s LEU 587 CO 0.17 -0.52 0.57 -0.62 -0.29 0.00 0.00 176.35 175.66 2kuf s ASP 588 N 1.36 6.20 -0.11 3.68 2.15 -0.75 -5.02 116.67 124.17 2kuf s ASP 588 Ca 0.35 -1.07 -0.20 0.00 0.43 0.00 0.00 52.55 52.06 2kuf s ASP 588 Cb -0.15 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2kuf s ASP 588 CO 0.08 -0.85 0.56 -1.59 -0.17 0.00 0.00 175.17 173.19 2kuf s LYS 589 N 2.38 4.35 -0.15 4.34 0.00 -1.26 -0.83 119.74 128.58 2kuf s LYS 589 Ca 0.12 0.59 -0.25 0.00 0.00 0.00 0.00 55.97 56.43 2kuf s LYS 589 Cb -0.21 -3.46 -0.25 0.00 0.00 0.00 0.00 37.83 33.92 2kuf s LYS 589 CO 0.10 0.08 0.60 0.78 0.00 0.00 0.00 175.35 176.91 2kuf h GLY 590 N 6.93 0.05 -5.37 0.59 0.00 -0.88 -3.47 103.07 100.92 2kuf h GLY 590 Ca -0.40 -0.14 -0.24 0.00 0.00 0.00 0.00 47.33 46.56 2kuf h GLY 590 CO 0.76 0.12 -0.72 0.00 0.00 0.00 0.00 176.54 176.70 2kuf s ALA 591 N -2.30 0.12 -0.16 3.60 0.00 -1.26 -5.05 121.76 116.72 2kuf s ALA 591 Ca -0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 2kuf s ALA 591 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 2kuf s ALA 591 CO 0.68 -0.01 -0.14 0.16 0.00 0.00 0.00 175.76 176.45 2kuf s ASP 592 N -0.38 3.78 -0.16 0.00 -4.77 -1.26 -2.90 116.67 110.97 2kuf s ASP 592 Ca -0.03 -0.44 -0.05 0.00 -3.30 0.00 0.00 52.55 48.72 2kuf s ASP 592 Cb -0.03 -1.59 -0.04 0.00 -1.09 0.00 0.00 42.92 40.18 2kuf s ASP 592 CO -0.00 0.08 0.02 -0.69 0.70 0.00 0.00 175.17 175.28 2kuf s VAL 593 N 0.85 4.43 -0.44 2.11 1.01 -0.52 -4.94 120.40 122.91 2kuf s VAL 593 Ca -0.04 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2kuf s VAL 593 Cb -0.15 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2kuf s VAL 593 CO -0.00 0.49 1.55 -0.62 0.00 0.00 0.00 175.10 176.53 2kuf s ASP 594 N 0.17 6.08 -0.01 3.32 2.15 -1.26 0.59 116.67 127.71 2kuf s ASP 594 Ca 0.02 0.80 -0.04 0.00 0.43 0.00 0.00 52.55 53.76 2kuf s ASP 594 Cb -0.13 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 2kuf s ASP 594 CO 0.01 -1.65 -0.08 0.00 -0.17 0.00 0.00 175.17 173.28 2kuf n ALA 595 N 9.71 2.53 0.00 3.66 0.00 -1.26 -4.85 120.51 130.29 2kuf n ALA 595 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2kuf n ALA 595 Cb 0.48 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.83 -0.47 0.35 0.00 0.00 -1.26 -4.38 105.19 102.26 2kuf n GLY 596 Ca -0.07 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.92 -1.16 103.07 102.35 2kuf h GLY 597 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2kuf h GLY 597 CO 0.00 0.07 -0.14 1.76 0.00 0.00 0.00 176.54 178.23 2kuf h SER 598 N 0.27 0.00 -0.02 0.19 0.02 -2.00 -1.05 113.55 110.95 2kuf h SER 598 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2kuf h SER 598 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kuf h SER 598 CO -0.05 0.14 -0.06 0.00 -1.14 0.00 0.00 176.83 175.72 2kuf n GLN 599 N -3.57 1.61 -2.14 3.45 1.13 -0.48 -5.01 117.38 112.36 2kuf n GLN 599 Ca -0.01 -1.50 -0.01 0.00 -1.94 0.00 0.00 57.00 53.53 2kuf n GLN 599 Cb 0.27 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 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 0.88 -2.32 -2.13 1.08 8.25 -0.40 -4.87 115.22 115.71 2kuf n HIS 600 Ca 0.10 1.16 -0.42 0.00 -0.26 0.00 0.00 57.72 58.30 2kuf n HIS 600 Cb 0.46 -2.88 0.00 0.00 1.12 0.00 0.00 29.99 28.69 2kuf n HIS 600 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2kuf n ASN 601 N 0.60 4.43 -4.83 0.41 6.94 -1.17 -4.86 115.26 116.78 2kuf n ASN 601 Ca -0.09 -2.91 -0.22 0.00 -0.02 0.00 0.00 54.58 51.34 2kuf n ASN 601 Cb 0.14 -1.65 -0.04 0.00 -2.36 0.00 0.00 39.78 35.87 2kuf n ASN 601 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kuf s ARG 602 N 2.89 2.79 0.14 -3.83 0.52 -1.26 -4.39 118.95 115.81 2kuf s ARG 602 Ca 0.47 -1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 54.17 2kuf s ARG 602 Cb 0.10 -2.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 2kuf s ARG 602 CO -0.03 0.23 1.46 0.08 0.02 0.00 0.00 175.30 177.07 2kuf s VAL 603 N -2.23 3.04 -0.05 3.52 1.01 0.10 -0.09 120.40 125.71 2kuf s VAL 603 Ca 0.37 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.12 2kuf s VAL 603 Cb -0.07 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2kuf s VAL 603 CO 0.26 0.06 -0.01 1.33 0.00 0.00 0.00 175.10 176.73 2kuf n VAL 604 N 3.93 0.29 -3.81 2.92 0.24 -0.96 -1.94 118.33 119.00 2kuf n VAL 604 Ca 0.12 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 2kuf n VAL 604 Cb 0.41 -0.81 -0.14 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.10 -0.07 0.02 6.34 6.14 -1.05 -4.93 117.35 121.70 2kuf s TYR 605 Ca -0.04 0.23 0.03 0.00 0.64 0.00 0.00 57.07 57.93 2kuf s TYR 605 Cb 0.01 -0.05 -0.02 0.00 0.42 0.00 0.00 41.96 42.33 2kuf s TYR 605 CO 0.15 -0.07 -0.10 1.14 0.64 0.00 0.00 175.55 177.31 2kuf s GLN 606 N 0.49 0.69 0.08 4.97 -2.07 -1.26 -0.18 119.66 122.39 2kuf s GLN 606 Ca -0.04 -0.56 -0.29 0.00 -1.82 0.00 0.00 55.36 52.65 2kuf s GLN 606 Cb -0.05 -0.63 -0.16 0.00 -1.09 0.00 0.00 33.01 31.08 2kuf s GLN 606 CO -0.02 0.16 1.65 -0.97 -1.32 0.00 0.00 175.29 174.79 2kuf h ASN 607 N 5.23 -0.60 -3.65 12.60 -1.24 -1.22 -3.39 115.58 123.31 2kuf h ASN 607 Ca -0.34 0.04 -0.66 0.00 0.71 0.00 0.00 56.30 56.04 2kuf h ASN 607 Cb 1.19 0.18 -0.23 0.00 0.73 0.00 0.00 38.32 40.19 2kuf h ASN 607 CO 0.45 -0.39 -0.59 -2.16 -1.29 0.00 0.00 177.43 173.46 2kuf s PRO 608 N -6.09 3.43 0.86 6.67 0.04 -1.26 -5.10 135.00 133.56 2kuf s PRO 608 Ca -0.16 -0.64 -0.10 0.00 0.04 0.00 0.00 61.00 60.13 2kuf s PRO 608 Cb 0.05 -3.46 0.11 0.00 0.04 0.00 0.00 34.50 31.24 2kuf s PRO 608 CO 0.64 -0.33 1.12 -1.25 0.04 0.00 0.00 177.00 177.21 2kuf s PRO 609 N 1.60 1.50 0.18 0.56 0.04 -1.26 -4.84 135.00 132.79 2kuf s PRO 609 Ca 0.05 1.32 -0.33 0.00 0.04 0.00 0.00 61.00 62.08 2kuf s PRO 609 Cb -0.16 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 2kuf s PRO 609 CO 0.05 -2.22 1.41 0.00 0.04 0.00 0.00 177.00 176.28 2kuf n ALA 610 N -3.93 0.59 0.00 8.56 0.00 -1.26 -1.83 120.51 122.64 2kuf n ALA 610 Ca 0.10 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kuf n ALA 610 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2kuf n ALA 610 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kuf n GLY 611 N 2.58 0.48 3.76 0.00 0.00 -0.91 -5.01 105.19 106.09 2kuf n GLY 611 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2kuf n GLY 611 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kuf s THR 612 N -2.00 2.62 -0.28 2.61 -1.32 -0.76 -4.66 115.64 111.85 2kuf s THR 612 Ca 0.00 0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.59 2kuf s THR 612 Cb 0.00 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 2kuf s THR 612 CO 0.00 -0.26 0.13 -0.83 -2.21 0.00 0.00 174.62 171.44 2kuf s GLY 613 N -3.70 1.84 -0.01 6.08 0.00 -1.26 -0.05 107.32 110.22 2kuf s GLY 613 Ca 0.63 -1.22 0.06 0.00 0.00 0.00 0.00 44.72 44.19 2kuf s GLY 613 CO 0.55 0.62 -0.19 -1.34 0.00 0.00 0.00 173.10 172.75 2kuf s VAL 614 N 1.65 2.72 1.18 1.40 -7.23 0.53 -4.79 120.40 115.85 2kuf s VAL 614 Ca 0.06 -1.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 2kuf s VAL 614 Cb -0.16 -2.07 0.24 0.00 0.56 0.00 0.00 36.38 34.95 2kuf s VAL 614 CO 0.06 0.49 0.70 -0.46 -0.31 0.00 0.00 175.10 175.57 2kuf n ASN 615 N 2.03 -2.06 0.30 4.85 6.94 -1.26 -0.43 115.26 125.63 2kuf n ASN 615 Ca -0.17 -0.19 0.17 0.00 -0.02 0.00 0.00 54.58 54.38 2kuf n ASN 615 Cb 0.52 -1.15 0.98 0.00 -2.36 0.00 0.00 39.78 37.77 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 -2.56 0.00 -0.00 -3.83 -0.00 -1.01 0.38 114.38 107.35 2kuf h ARG 616 Ca -0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.37 2kuf h ARG 616 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 2kuf h ARG 616 CO 0.46 0.00 -0.21 -3.47 -0.00 0.00 0.00 179.97 176.75 2kuf n ASP 617 N -3.61 0.32 -0.28 0.08 2.03 -1.26 -4.61 116.55 109.22 2kuf n ASP 617 Ca -0.02 -0.07 -0.04 0.00 0.52 0.00 0.00 54.79 55.18 2kuf n ASP 617 Cb 0.12 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.44 0.50 3.66 0.27 0.00 0.13 -1.34 105.19 109.85 2kuf n GLY 618 Ca 0.08 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.62 3.86 -0.04 -0.61 -1.16 -1.26 -4.89 121.20 115.47 2kuf s ILE 619 Ca 0.00 1.03 0.04 0.00 -0.51 0.00 0.00 60.65 61.21 2kuf s ILE 619 Cb 0.00 -3.69 -0.00 0.00 0.61 0.00 0.00 42.46 39.38 2kuf s ILE 619 CO 0.00 -0.12 -0.16 0.27 -2.81 0.00 0.00 174.94 172.12 2kuf s ILE 620 N 3.97 1.34 -0.25 2.00 -5.25 -1.26 -4.87 121.20 116.88 2kuf s ILE 620 Ca 0.66 -0.66 -0.12 0.00 -0.99 0.00 0.00 60.65 59.54 2kuf s ILE 620 Cb -0.28 -1.16 -0.05 0.00 2.95 0.00 0.00 42.46 43.92 2kuf s ILE 620 CO 0.24 0.39 0.22 -0.89 -1.79 0.00 0.00 174.94 173.11 2kuf s THR 621 N 0.11 5.31 0.16 8.37 2.01 -1.25 -1.82 115.64 128.54 2kuf s THR 621 Ca -0.05 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2kuf s THR 621 Cb -0.12 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2kuf s THR 621 CO 0.02 0.28 0.08 -1.48 -0.69 0.00 0.00 174.62 172.83 2kuf s LEU 622 N 1.42 1.61 -0.02 4.42 0.05 -0.01 -0.56 118.68 125.58 2kuf s LEU 622 Ca 0.09 -1.27 0.04 0.00 0.05 0.00 0.00 54.13 53.05 2kuf s LEU 622 Cb -0.15 0.27 -0.01 0.00 -2.05 0.00 0.00 46.19 44.25 2kuf s LEU 622 CO 0.07 -0.75 -0.15 0.00 -0.55 0.00 0.00 176.35 174.97 2kuf s ARG 623 N -4.07 1.41 0.14 1.48 1.70 0.75 -0.13 118.95 120.23 2kuf s ARG 623 Ca 0.30 -0.54 -0.02 0.00 -0.47 0.00 0.00 55.73 54.99 2kuf s ARG 623 Cb 0.07 -1.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.12 2kuf s ARG 623 CO 0.06 0.28 0.09 -0.59 -1.08 0.00 0.00 175.30 174.05 2kuf s PHE 624 N -0.15 0.80 -0.00 5.89 -0.71 -1.14 -2.26 117.98 120.40 2kuf s PHE 624 Ca 0.01 -1.17 -0.27 0.00 -1.04 0.00 0.00 56.93 54.46 2kuf s PHE 624 Cb -0.08 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 2kuf s PHE 624 CO 0.00 -0.55 0.86 0.20 -1.34 0.00 0.00 175.22 174.40 2kuf s GLY 625 N -3.04 2.82 0.00 1.99 0.00 0.88 -1.44 107.32 108.53 2kuf s GLY 625 Ca 0.23 0.39 0.27 0.00 0.00 0.00 0.00 44.72 45.61 2kuf s GLY 625 CO 0.02 1.43 1.64 -0.18 0.00 0.00 0.00 173.10 176.00