#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkp h ASN 500 N 0.00 0.95 0.47 7.83 -1.24 -2.05 -0.86 115.58 120.68 1nkp h ASN 500 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 1nkp h ASN 500 Cb 0.00 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.82 1nkp h ASN 500 CO 0.00 0.67 -0.23 0.58 -1.29 0.00 0.00 177.43 177.17 1nkp h VAL 501 N 1.11 0.53 -0.61 2.57 2.07 -2.05 -1.14 116.25 118.73 1nkp h VAL 501 Ca 0.32 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1nkp h VAL 501 Cb -0.08 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1nkp h VAL 501 CO -0.08 0.02 0.27 0.11 0.02 0.00 0.00 177.57 177.92 1nkp h LYS 502 N -0.70 0.48 -0.58 1.57 1.57 -1.94 -0.80 116.57 116.17 1nkp h LYS 502 Ca -0.07 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1nkp h LYS 502 Cb 0.52 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1nkp h LYS 502 CO 0.11 0.32 0.28 -0.09 -0.57 0.00 0.00 179.45 179.50 1nkp h ARG 503 N 0.50 0.51 -0.30 3.15 2.43 -0.98 0.19 114.38 119.89 1nkp h ARG 503 Ca 0.29 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1nkp h ARG 503 Cb 0.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1nkp h ARG 503 CO -0.24 0.34 0.02 -0.09 -1.51 0.00 0.00 179.97 178.49 1nkp h ARG 504 N 0.53 0.51 -0.91 0.20 2.43 -0.48 -1.57 114.38 115.09 1nkp h ARG 504 Ca 0.27 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1nkp h ARG 504 Cb 0.21 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1nkp h ARG 504 CO -0.20 0.64 0.60 1.15 -1.51 0.00 0.00 179.97 180.65 1nkp h THR 505 N 0.32 1.22 -0.57 0.20 2.02 -0.67 -1.85 112.91 113.60 1nkp h THR 505 Ca 0.09 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1nkp h THR 505 Cb 0.39 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1nkp h THR 505 CO 0.01 0.22 0.28 -0.74 0.37 0.00 0.00 175.52 175.66 1nkp h HIS 506 N 1.22 0.81 -0.62 3.16 -0.00 -0.39 -1.53 115.15 117.81 1nkp h HIS 506 Ca 0.34 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1nkp h HIS 506 Cb -0.13 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.01 1nkp h HIS 506 CO -0.01 0.62 0.14 -0.91 -0.00 0.00 0.00 177.93 177.77 1nkp h ASN 507 N 0.77 0.95 -0.24 3.26 -0.26 -0.81 -1.62 115.58 117.62 1nkp h ASN 507 Ca 0.20 -0.24 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1nkp h ASN 507 Cb 0.11 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1nkp h ASN 507 CO -0.03 0.94 -0.03 0.58 -1.06 0.00 0.00 177.43 177.83 1nkp h VAL 508 N 0.91 1.27 -0.59 2.81 2.07 -1.21 -0.90 116.25 120.61 1nkp h VAL 508 Ca 0.19 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1nkp h VAL 508 Cb 0.37 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1nkp h VAL 508 CO 0.00 0.31 0.21 -0.07 0.02 0.00 0.00 177.57 178.04 1nkp h LEU 509 N 0.20 0.84 -0.84 2.57 3.38 -1.24 -1.17 115.31 119.05 1nkp h LEU 509 Ca 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1nkp h LEU 509 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1nkp h LEU 509 CO 0.02 0.81 0.23 -0.08 0.09 0.00 0.00 178.44 179.51 1nkp h GLU 510 N 0.83 1.09 -0.63 1.13 4.57 -1.24 0.53 114.58 120.86 1nkp h GLU 510 Ca 0.19 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 1nkp h GLU 510 Cb 0.25 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1nkp h GLU 510 CO -0.01 0.92 0.10 -0.09 -1.18 0.00 0.00 179.01 178.76 1nkp h ARG 511 N 1.05 1.02 -0.53 1.92 2.43 -0.79 -0.98 114.38 118.49 1nkp h ARG 511 Ca 0.23 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1nkp h ARG 511 Cb 0.28 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1nkp h ARG 511 CO -0.01 0.94 -0.10 1.96 -1.51 0.00 0.00 179.97 181.25 1nkp h GLN 512 N 0.96 0.99 -0.27 0.20 4.20 -0.68 -1.58 115.11 118.94 1nkp h GLN 512 Ca 0.19 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1nkp h GLN 512 Cb 0.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1nkp h GLN 512 CO 0.01 1.03 0.14 -0.09 -0.67 0.00 0.00 178.83 179.26 1nkp h ARG 513 N 0.89 0.29 -0.92 1.46 2.43 -0.41 -0.46 114.38 117.66 1nkp h ARG 513 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1nkp h ARG 513 Cb 0.65 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1nkp h ARG 513 CO 0.05 0.19 0.53 0.00 -1.51 0.00 0.00 179.97 179.23 1nkp h ARG 514 N 0.30 1.27 -0.18 0.20 3.08 -1.00 -1.53 114.38 116.52 1nkp h ARG 514 Ca 0.11 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1nkp h ARG 514 Cb 0.02 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1nkp h ARG 514 CO -0.07 0.90 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.53 1nkp h ASN 515 N 1.28 0.36 -0.15 7.04 -0.26 -0.82 -0.37 115.58 122.66 1nkp h ASN 515 Ca 0.33 -0.13 -0.15 0.00 -0.56 0.00 0.00 56.30 55.79 1nkp h ASN 515 Cb -0.02 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1nkp h ASN 515 CO -0.06 0.65 -0.45 -0.08 -1.06 0.00 0.00 177.43 176.43 1nkp h GLU 516 N 0.32 0.71 -0.48 0.81 4.81 -0.69 -2.09 114.58 117.97 1nkp h GLU 516 Ca 0.04 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1nkp h GLU 516 Cb 0.69 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1nkp h GLU 516 CO 0.05 1.01 -0.05 1.25 -0.73 0.00 0.00 179.01 180.54 1nkp h LEU 517 N 0.57 0.82 -0.66 1.64 5.85 -0.90 -1.41 115.31 121.22 1nkp h LEU 517 Ca 0.04 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1nkp h LEU 517 Cb 1.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1nkp h LEU 517 CO 0.10 0.91 0.32 0.50 -0.34 0.00 0.00 178.44 179.93 1nkp h LYS 518 N 0.77 0.94 -0.39 1.25 3.64 -0.83 0.34 116.57 122.29 1nkp h LYS 518 Ca 0.14 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1nkp h LYS 518 Cb 0.54 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1nkp h LYS 518 CO 0.03 0.74 -0.13 0.00 -2.27 0.00 0.00 179.45 177.83 1nkp h ARG 519 N 0.90 0.71 -0.50 1.90 3.08 -0.99 -1.58 114.38 117.91 1nkp h ARG 519 Ca 0.23 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1nkp h ARG 519 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1nkp h ARG 519 CO -0.03 0.81 -0.09 0.77 -1.07 0.00 0.00 179.97 180.36 1nkp h SER 520 N 0.64 0.94 -0.69 7.04 0.02 -0.73 -1.68 113.55 119.09 1nkp h SER 520 Ca 0.11 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1nkp h SER 520 Cb 0.59 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1nkp h SER 520 CO 0.04 1.06 0.42 -0.26 -1.14 0.00 0.00 176.83 176.95 1nkp h PHE 521 N 0.79 0.92 -0.47 3.45 -1.00 -0.62 -1.96 116.94 118.06 1nkp h PHE 521 Ca 0.13 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.92 1nkp h PHE 521 Cb 0.64 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1nkp h PHE 521 CO 0.05 0.62 0.30 0.74 -1.61 0.00 0.00 178.31 178.41 1nkp h PHE 522 N 0.95 0.56 -0.83 -0.55 -1.00 -1.00 -0.03 116.94 115.03 1nkp h PHE 522 Ca 0.25 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 1nkp h PHE 522 Cb -0.02 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1nkp h PHE 522 CO -0.01 0.34 0.49 0.00 -1.61 0.00 0.00 178.31 177.52 1nkp h ALA 523 N 1.19 1.06 -0.10 2.45 0.00 -1.00 -1.47 119.26 121.38 1nkp h ALA 523 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nkp h ALA 523 Cb -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1nkp h ALA 523 CO -0.06 0.53 -0.03 1.25 0.00 0.00 0.00 179.25 180.95 1nkp h LEU 524 N 1.14 0.20 -0.77 0.00 5.85 -1.04 -3.12 115.31 117.58 1nkp h LEU 524 Ca 0.30 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.76 1nkp h LEU 524 Cb -0.03 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 1nkp h LEU 524 CO -0.05 0.52 0.38 -0.09 -0.34 0.00 0.00 178.44 178.86 1nkp h ARG 525 N -0.13 0.59 0.00 1.25 2.43 -0.76 -1.32 114.38 116.44 1nkp h ARG 525 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1nkp h ARG 525 Cb 0.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1nkp h ARG 525 CO 0.01 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 1nkp n ASP 526 N -4.87 0.35 -0.96 -3.80 9.92 -0.57 -2.08 116.55 114.54 1nkp n ASP 526 Ca 0.13 0.62 0.11 0.00 -0.53 0.00 0.00 54.79 55.12 1nkp n ASP 526 Cb 0.34 -0.68 0.14 0.00 -0.64 0.00 0.00 41.12 40.27 1nkp n ASP 526 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nkp n GLN 527 N -1.93 2.19 -3.37 -1.24 1.13 -0.50 -4.80 117.38 108.86 1nkp n GLN 527 Ca 0.01 -1.98 -0.45 0.00 -1.94 0.00 0.00 57.00 52.65 1nkp n GLN 527 Cb 0.12 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 1nkp n GLN 527 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nkp s ILE 528 N -1.63 5.06 0.29 5.09 1.01 -0.88 -4.96 121.20 125.18 1nkp s ILE 528 Ca 0.30 -1.44 0.03 0.00 0.00 0.00 0.00 60.65 59.54 1nkp s ILE 528 Cb 0.19 -4.20 0.29 0.00 0.01 0.00 0.00 42.46 38.75 1nkp s ILE 528 CO 0.28 -0.78 1.68 1.55 0.00 0.00 0.00 174.94 177.67 1nkp h PRO 529 N 8.79 0.33 -0.99 2.79 0.13 -1.87 -0.86 132.00 140.32 1nkp h PRO 529 Ca -0.28 -0.02 0.26 0.00 -0.87 0.00 0.00 66.00 65.09 1nkp h PRO 529 Cb 1.10 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 1nkp h PRO 529 CO 0.97 0.22 0.67 1.49 -0.23 0.00 0.00 178.00 181.12 1nkp h GLU 530 N 0.34 0.24 -0.30 0.86 4.81 -1.94 0.58 114.58 119.16 1nkp h GLU 530 Ca 0.55 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1nkp h GLU 530 Cb 1.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1nkp h GLU 530 CO -0.56 0.16 0.00 1.28 -0.73 0.00 0.00 179.01 179.16 1nkp n LEU 531 N -4.44 1.63 0.33 1.64 4.77 -0.33 -4.34 117.00 116.26 1nkp n LEU 531 Ca 0.22 -0.81 -0.18 0.00 -0.03 0.00 0.00 56.01 55.21 1nkp n LEU 531 Cb 0.90 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1nkp n LEU 531 CO 0.32 0.41 0.61 -0.08 -1.33 0.00 0.00 177.39 177.32 1nkp h GLU 532 N 1.79 -0.90 -2.05 3.23 4.57 -0.97 -2.74 114.58 117.50 1nkp h GLU 532 Ca 0.00 0.06 -0.61 0.00 -1.18 0.00 0.00 59.36 57.63 1nkp h GLU 532 Cb 0.41 0.20 -0.21 0.00 -0.16 0.00 0.00 28.75 29.00 1nkp h GLU 532 CO 0.00 -0.60 0.77 0.09 -1.18 0.00 0.00 179.01 178.10 1nkp n ASN 533 N -5.52 6.95 -4.42 1.04 3.02 -1.26 -4.91 115.26 110.17 1nkp n ASN 533 Ca -0.12 -3.42 -0.38 0.00 -0.03 0.00 0.00 54.58 50.63 1nkp n ASN 533 Cb 0.41 -1.19 -0.12 0.00 -0.61 0.00 0.00 39.78 38.27 1nkp n ASN 533 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nkp s ASN 534 N -0.16 5.41 0.16 6.41 2.47 -1.04 -4.98 114.94 123.21 1nkp s ASN 534 Ca 0.56 -0.55 -0.15 0.00 0.42 0.00 0.00 52.86 53.13 1nkp s ASN 534 Cb 0.38 -1.96 0.04 0.00 -1.45 0.00 0.00 41.25 38.26 1nkp s ASN 534 CO -0.27 -0.18 1.81 -0.08 -3.72 0.00 0.00 177.10 174.65 1nkp h GLU 535 N 8.31 0.52 -3.27 0.43 4.81 -1.91 -3.44 114.58 120.04 1nkp h GLU 535 Ca -0.32 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.74 1nkp h GLU 535 Cb 1.14 -0.12 -0.21 0.00 0.63 0.00 0.00 28.75 30.20 1nkp h GLU 535 CO 0.61 0.34 -0.39 0.15 -0.73 0.00 0.00 179.01 178.99 1nkp s LYS 536 N -6.15 0.54 -0.35 1.92 1.02 -1.26 -5.13 119.74 110.32 1nkp s LYS 536 Ca -0.13 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.62 1nkp s LYS 536 Cb 0.11 0.24 0.13 0.00 -0.52 0.00 0.00 37.83 37.79 1nkp s LYS 536 CO 0.73 -0.14 0.18 0.00 -0.92 0.00 0.00 175.35 175.20 1nkp s ALA 537 N -1.21 1.25 0.95 5.17 0.00 -1.26 -5.11 121.76 121.54 1nkp s ALA 537 Ca -0.13 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 49.86 1nkp s ALA 537 Cb -0.06 -1.63 0.11 0.00 0.00 0.00 0.00 23.12 21.54 1nkp s ALA 537 CO 0.03 -1.94 0.83 -2.30 0.00 0.00 0.00 175.76 172.37 1nkp n PRO 538 N 4.28 -0.51 -0.27 0.00 -0.02 -1.26 -4.70 135.00 132.52 1nkp n PRO 538 Ca 0.06 -0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 1nkp n PRO 538 Cb 0.38 -2.15 0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1nkp n PRO 538 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nkp h LYS 539 N -1.81 0.88 -0.42 -0.52 1.57 -2.00 -1.86 116.57 112.41 1nkp h LYS 539 Ca -0.44 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1nkp h LYS 539 Cb 1.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1nkp h LYS 539 CO 0.39 0.58 0.14 -0.24 -0.57 0.00 0.00 179.45 179.75 1nkp h VAL 540 N 0.90 1.17 -0.35 0.50 3.04 -2.00 -1.44 116.25 118.08 1nkp h VAL 540 Ca 0.32 -0.57 -0.13 0.00 -1.01 0.00 0.00 66.70 65.31 1nkp h VAL 540 Cb 0.07 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1nkp h VAL 540 CO -0.13 0.21 -0.29 0.58 -1.01 0.00 0.00 177.57 176.93 1nkp h VAL 541 N 0.60 1.29 -0.57 1.51 2.07 -1.76 -1.71 116.25 117.68 1nkp h VAL 541 Ca 0.14 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 1nkp h VAL 541 Cb 0.17 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1nkp h VAL 541 CO -0.01 0.48 0.34 0.40 0.02 0.00 0.00 177.57 178.80 1nkp h ILE 542 N 0.59 1.17 -0.19 4.57 2.04 -0.77 0.46 117.51 125.38 1nkp h ILE 542 Ca 0.06 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1nkp h ILE 542 Cb 0.86 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1nkp h ILE 542 CO 0.07 0.18 0.06 -0.07 0.00 0.00 0.00 178.15 178.39 1nkp h LEU 543 N 0.76 0.28 -0.70 1.44 3.38 -1.21 -0.84 115.31 118.42 1nkp h LEU 543 Ca 0.20 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1nkp h LEU 543 Cb -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1nkp h LEU 543 CO -0.04 0.41 0.17 0.11 0.09 0.00 0.00 178.44 179.18 1nkp h LYS 544 N 0.13 1.12 0.00 1.13 1.57 -1.10 -1.84 116.57 117.59 1nkp h LYS 544 Ca 0.06 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1nkp h LYS 544 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nkp h LYS 544 CO -0.00 0.99 -0.27 0.87 -0.57 0.00 0.00 179.45 180.47 1nkp h LYS 545 N 1.06 0.00 -0.09 3.15 1.57 -0.86 -2.08 116.57 119.32 1nkp h LYS 545 Ca 0.22 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.76 1nkp h LYS 545 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1nkp h LYS 545 CO 0.00 0.27 -0.87 0.00 -0.57 0.00 0.00 179.45 178.29 1nkp h ALA 546 N 1.73 0.23 -0.12 3.86 0.00 -0.93 -2.15 119.26 121.88 1nkp h ALA 546 Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1nkp h ALA 546 Cb 1.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nkp h ALA 546 CO 0.04 0.66 0.03 1.15 0.00 0.00 0.00 179.25 181.12 1nkp h THR 547 N 0.46 1.20 -0.64 0.00 2.02 -1.25 -0.87 112.91 113.83 1nkp h THR 547 Ca -0.08 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1nkp h THR 547 Cb 1.51 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1nkp h THR 547 CO 0.18 0.19 0.33 0.00 0.37 0.00 0.00 175.52 176.58 1nkp h ALA 548 N 0.81 1.37 -0.39 6.16 0.00 -1.43 -1.03 119.26 124.76 1nkp h ALA 548 Ca 0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1nkp h ALA 548 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nkp h ALA 548 CO 0.00 0.50 -0.10 -0.92 0.00 0.00 0.00 179.25 178.74 1nkp h TYR 549 N 0.89 0.85 -0.42 0.00 3.20 -1.19 -0.80 116.97 119.51 1nkp h TYR 549 Ca 0.22 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1nkp h TYR 549 Cb 0.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1nkp h TYR 549 CO 0.01 0.89 0.24 0.82 -1.64 0.00 0.00 178.16 178.48 1nkp h ILE 550 N 0.56 1.14 -0.64 1.81 2.04 -0.71 0.92 117.51 122.63 1nkp h ILE 550 Ca 0.10 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1nkp h ILE 550 Cb 0.62 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1nkp h ILE 550 CO 0.04 0.15 0.43 -0.07 0.00 0.00 0.00 178.15 178.69 1nkp h LEU 551 N 0.55 0.73 -0.54 1.44 4.07 -1.07 -1.68 115.31 118.81 1nkp h LEU 551 Ca 0.15 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 1nkp h LEU 551 Cb 0.03 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1nkp h LEU 551 CO -0.03 0.53 -0.51 0.77 -1.08 0.00 0.00 178.44 178.12 1nkp h SER 552 N 0.87 0.63 1.13 -0.43 4.64 0.11 -2.37 113.55 118.12 1nkp h SER 552 Ca 0.24 -0.32 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1nkp h SER 552 Cb -0.09 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1nkp h SER 552 CO -0.05 1.03 -0.55 -0.37 -0.87 0.00 0.00 176.83 176.02 1nkp h VAL 553 N 0.45 1.06 -0.22 0.95 -1.51 -0.39 -1.55 116.25 115.03 1nkp h VAL 553 Ca 0.02 -2.18 -0.18 0.00 -1.23 0.00 0.00 66.70 63.13 1nkp h VAL 553 Cb 1.05 2.31 -0.00 0.00 -2.13 0.00 0.00 31.29 32.51 1nkp h VAL 553 CO 0.10 0.54 -0.58 1.56 -1.23 0.00 0.00 177.57 177.96 1nkp h GLN 554 N 0.00 0.69 -0.41 5.19 4.20 -1.28 -1.44 115.11 122.06 1nkp h GLN 554 Ca -0.01 -0.45 -0.15 0.00 0.06 0.00 0.00 58.65 58.10 1nkp h GLN 554 Cb 1.26 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1nkp h GLN 554 CO 0.07 1.07 -0.33 0.00 -0.67 0.00 0.00 178.83 178.97 1nkp h ALA 555 N 0.83 0.62 -0.33 3.87 0.00 -1.35 -2.59 119.26 120.32 1nkp h ALA 555 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1nkp h ALA 555 Cb 1.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1nkp h ALA 555 CO 0.12 0.68 0.18 1.49 0.00 0.00 0.00 179.25 181.72 1nkp h GLU 556 N 0.79 0.46 -0.64 0.00 4.81 -1.19 -1.38 114.58 117.43 1nkp h GLU 556 Ca 0.08 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1nkp h GLU 556 Cb 0.92 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.13 1nkp h GLU 556 CO 0.09 0.38 0.24 1.49 -0.73 0.00 0.00 179.01 180.48 1nkp h GLU 557 N 0.42 0.41 -0.38 1.92 4.81 -1.09 0.19 114.58 120.85 1nkp h GLU 557 Ca 0.12 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1nkp h GLU 557 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nkp h GLU 557 CO -0.02 0.27 0.23 1.96 -0.73 0.00 0.00 179.01 180.72 1nkp h GLN 558 N 0.42 0.46 -0.79 1.92 1.08 -1.04 0.22 115.11 117.37 1nkp h GLN 558 Ca 0.33 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1nkp h GLN 558 Cb 0.43 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 1nkp h GLN 558 CO -0.33 0.30 0.43 -0.22 -0.95 0.00 0.00 178.83 178.06 1nkp h LYS 559 N 0.47 1.11 0.00 1.46 3.64 -0.04 -2.25 116.57 120.97 1nkp h LYS 559 Ca 0.15 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1nkp h LYS 559 Cb -0.01 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1nkp h LYS 559 CO -0.06 0.82 -0.85 -0.07 -2.27 0.00 0.00 179.45 177.02 1nkp h LEU 560 N 1.11 0.18 -0.50 5.20 3.38 -0.19 -1.63 115.31 122.87 1nkp h LEU 560 Ca 0.28 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1nkp h LEU 560 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1nkp h LEU 560 CO -0.04 0.95 0.11 0.40 0.09 0.00 0.00 178.44 179.94 1nkp h ILE 561 N 0.08 1.24 -0.31 1.22 2.04 -0.28 -1.38 117.51 120.13 1nkp h ILE 561 Ca -0.03 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.86 1nkp h ILE 561 Cb 1.47 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1nkp h ILE 561 CO 0.12 0.31 -0.18 0.28 0.00 0.00 0.00 178.15 178.69 1nkp h SER 562 N 0.69 0.70 -0.51 1.72 0.02 -1.40 -2.06 113.55 112.71 1nkp h SER 562 Ca 0.15 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1nkp h SER 562 Cb 0.35 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1nkp h SER 562 CO 0.00 0.96 0.26 -0.08 -1.14 0.00 0.00 176.83 176.84 1nkp h GLU 563 N 0.43 0.73 -0.79 3.45 4.81 -1.20 -1.83 114.58 120.18 1nkp h GLU 563 Ca 0.07 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1nkp h GLU 563 Cb 0.71 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1nkp h GLU 563 CO 0.05 0.59 0.32 1.49 -0.73 0.00 0.00 179.01 180.73 1nkp h GLU 564 N 0.68 1.18 -0.17 1.92 4.81 -1.22 -0.95 114.58 120.83 1nkp h GLU 564 Ca 0.18 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1nkp h GLU 564 Cb 0.09 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1nkp h GLU 564 CO -0.02 0.95 0.06 0.22 -0.73 0.00 0.00 179.01 179.49 1nkp h ASP 565 N 1.15 0.07 -0.67 1.04 1.82 -0.99 -0.80 116.42 118.05 1nkp h ASP 565 Ca 0.26 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.89 1nkp h ASP 565 Cb 0.21 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 1nkp h ASP 565 CO -0.02 0.07 0.32 -0.07 -1.61 0.00 0.00 179.24 177.93 1nkp h LEU 566 N 0.14 0.89 -0.41 2.28 4.07 -1.06 -2.04 115.31 119.18 1nkp h LEU 566 Ca 0.07 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1nkp h LEU 566 Cb 0.04 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1nkp h LEU 566 CO -0.07 0.76 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.91 1nkp h LEU 567 N 0.98 0.78 -0.71 1.67 3.38 -0.71 -1.03 115.31 119.66 1nkp h LEU 567 Ca 0.24 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1nkp h LEU 567 Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1nkp h LEU 567 CO -0.03 0.94 0.21 0.03 0.09 0.00 0.00 178.44 179.68 1nkp h ARG 568 N 0.60 1.11 0.05 1.13 3.08 -0.95 0.08 114.38 119.48 1nkp h ARG 568 Ca 0.11 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1nkp h ARG 568 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1nkp h ARG 568 CO 0.03 0.96 -0.08 0.87 -1.07 0.00 0.00 179.97 180.68 1nkp h LYS 569 N 1.05 -0.16 -0.68 0.04 1.57 -1.23 -1.42 116.57 115.74 1nkp h LYS 569 Ca 0.23 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1nkp h LYS 569 Cb 0.32 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1nkp h LYS 569 CO -0.00 -0.11 0.45 -0.09 -0.57 0.00 0.00 179.45 179.13 1nkp h ARG 570 N -0.17 0.80 -0.37 3.15 1.12 -0.85 0.14 114.38 118.20 1nkp h ARG 570 Ca 0.02 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.73 1nkp h ARG 570 Cb 0.19 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1nkp h ARG 570 CO -0.05 0.53 -0.20 -0.09 -3.11 0.00 0.00 179.97 177.05 1nkp h ARG 571 N 0.82 0.70 -0.38 0.20 2.43 -0.50 -0.22 114.38 117.44 1nkp h ARG 571 Ca 0.27 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1nkp h ARG 571 Cb 0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1nkp h ARG 571 CO -0.08 0.85 0.06 0.93 -1.51 0.00 0.00 179.97 180.23 1nkp h GLU 572 N 0.62 0.62 -0.94 0.20 5.08 -0.11 -1.69 114.58 118.37 1nkp h GLU 572 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nkp h GLU 572 Cb 0.68 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1nkp h GLU 572 CO 0.05 0.68 0.60 1.96 -1.00 0.00 0.00 179.01 181.30 1nkp h GLN 573 N 0.46 1.25 -0.08 2.33 4.20 -0.64 -1.01 115.11 121.62 1nkp h GLN 573 Ca 0.11 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1nkp h GLN 573 Cb 0.36 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1nkp h GLN 573 CO 0.01 0.85 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.92 1nkp h LEU 574 N 1.28 0.16 -0.33 1.46 3.38 -0.82 -1.04 115.31 119.40 1nkp h LEU 574 Ca 0.34 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1nkp h LEU 574 Cb -0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nkp h LEU 574 CO -0.07 0.51 0.18 0.11 0.09 0.00 0.00 178.44 179.26 1nkp h LYS 575 N -0.18 0.36 -0.34 1.13 1.57 -1.21 -0.30 116.57 117.60 1nkp h LYS 575 Ca 0.02 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1nkp h LYS 575 Cb 0.44 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1nkp h LYS 575 CO 0.01 0.24 -0.06 1.25 -0.57 0.00 0.00 179.45 180.31 1nkp h HIS 576 N 0.37 -0.14 -0.73 -1.35 2.76 -1.13 -0.99 115.15 113.95 1nkp h HIS 576 Ca 0.13 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 1nkp h HIS 576 Cb 0.02 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 1nkp h HIS 576 CO -0.09 -0.12 0.42 -0.22 -1.30 0.00 0.00 177.93 176.62 1nkp h LYS 577 N 0.02 0.74 -0.21 5.26 3.64 -0.54 -1.90 116.57 123.58 1nkp h LYS 577 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1nkp h LYS 577 Cb 0.24 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1nkp h LYS 577 CO -0.33 0.49 0.08 -0.07 -2.27 0.00 0.00 179.45 177.34 1nkp h LEU 578 N 0.76 0.30 -1.62 5.20 3.38 0.04 -2.41 115.31 120.96 1nkp h LEU 578 Ca 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1nkp h LEU 578 Cb 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nkp h LEU 578 CO -0.19 0.40 -0.09 1.05 0.09 0.00 0.00 178.44 179.71 1nkp h GLU 579 N 0.18 0.00 -0.28 1.13 4.11 -1.00 -2.52 114.58 116.20 1nkp h GLU 579 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.33 1nkp h GLU 579 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nkp h GLU 579 CO -0.00 0.09 -0.51 0.37 0.07 0.00 0.00 179.01 179.02 1nkp h GLN 580 N 0.00 0.80 0.00 1.06 5.75 -1.03 -3.52 115.11 118.17 1nkp h GLN 580 Ca -0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1nkp h GLN 580 Cb 0.49 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1nkp h GLN 580 CO 0.01 1.12 0.00 1.28 -2.65 0.00 0.00 178.83 178.59