#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9y s PHE 524 N 0.00 3.24 0.00 -0.32 0.40 -1.26 -5.02 117.98 115.02 2k9y s PHE 524 Ca 0.00 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 2k9y s PHE 524 Cb 0.00 -3.50 -0.00 0.00 0.51 0.00 0.00 43.02 40.03 2k9y s PHE 524 CO 0.00 -1.65 -0.01 -0.65 0.70 0.00 0.00 175.22 173.61 2k9y s GLN 525 N 1.60 0.08 -0.16 0.44 -1.52 -1.26 -5.14 119.66 113.69 2k9y s GLN 525 Ca 0.60 -0.14 -0.05 0.00 -1.95 0.00 0.00 55.36 53.82 2k9y s GLN 525 Cb -0.30 0.02 0.08 0.00 -0.22 0.00 0.00 33.01 32.59 2k9y s GLN 525 CO 0.27 -0.01 0.28 0.95 -0.25 0.00 0.00 175.29 176.54 2k9y s THR 526 N -0.33 -0.45 -0.57 -0.19 -4.23 -1.26 -5.11 115.64 103.51 2k9y s THR 526 Ca -0.04 0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 2k9y s THR 526 Cb -0.02 -0.54 0.14 0.00 1.34 0.00 0.00 72.50 73.42 2k9y s THR 526 CO -0.00 0.04 0.50 -0.76 -0.54 0.00 0.00 174.62 173.85 2k9y s LEU 527 N 2.44 6.11 0.77 4.79 2.01 -1.26 -5.07 118.68 128.47 2k9y s LEU 527 Ca 0.03 -2.02 -0.15 0.00 0.01 0.00 0.00 54.13 52.00 2k9y s LEU 527 Cb -0.13 -2.14 0.05 0.00 0.01 0.00 0.00 46.19 43.98 2k9y s LEU 527 CO -0.10 -0.74 1.14 -1.54 1.01 0.00 0.00 176.35 176.12 2k9y n SER 528 N 4.86 0.98 -4.64 2.29 3.41 -1.26 -4.90 113.62 114.36 2k9y n SER 528 Ca -0.07 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.75 2k9y n SER 528 Cb 0.41 -1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 62.85 2k9y n SER 528 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2k9y s PRO 529 N -3.82 4.00 -0.29 4.33 0.04 -1.26 -4.98 135.00 133.02 2k9y s PRO 529 Ca 0.74 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 2k9y s PRO 529 Cb -0.31 -3.97 0.10 0.00 0.04 0.00 0.00 34.50 30.35 2k9y s PRO 529 CO 0.49 -1.05 0.10 -1.21 0.04 0.00 0.00 177.00 175.38 2k9y s GLU 530 N 4.26 0.53 0.13 4.56 2.02 -1.26 -5.13 118.70 123.81 2k9y s GLU 530 Ca 0.69 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.93 2k9y s GLU 530 Cb -0.27 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2k9y s GLU 530 CO 0.27 -0.96 -0.17 0.20 0.02 0.00 0.00 175.26 174.62 2k9y s GLY 531 N 1.80 1.19 0.00 -1.39 0.00 -1.26 -4.85 107.32 102.82 2k9y s GLY 531 Ca 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2k9y s GLY 531 CO -0.27 -1.36 0.00 1.44 0.00 0.00 0.00 173.10 172.90 2k9y n SER 532 N 0.63 2.23 0.00 1.64 7.64 -1.26 -5.00 113.62 119.50 2k9y n SER 532 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2k9y n SER 532 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2k9y n SER 532 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k9y n GLY 533 N 2.88 1.57 0.17 0.23 0.00 -1.26 -4.99 105.19 103.80 2k9y n GLY 533 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.41 2k9y n GLY 533 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k9y h ASN 534 N 0.00 0.00 1.25 1.61 2.35 -2.03 -3.16 115.58 115.59 2k9y h ASN 534 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k9y h ASN 534 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k9y h ASN 534 CO 0.00 0.30 0.00 -0.07 -1.65 0.00 0.00 177.43 176.01 2k9y h LEU 535 N 0.00 0.00 -1.05 1.61 -0.00 -2.01 -3.00 115.31 110.86 2k9y h LEU 535 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2k9y h LEU 535 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2k9y h LEU 535 CO 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 178.44 178.34 2k9y h ALA 536 N 2.03 1.20 -0.14 1.53 0.00 -1.87 -2.44 119.26 119.56 2k9y h ALA 536 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2k9y h ALA 536 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k9y h ALA 536 CO 0.00 0.51 0.27 0.28 0.00 0.00 0.00 179.25 180.31 2k9y h VAL 537 N 0.48 0.23 0.97 0.00 2.07 -1.71 -2.39 116.25 115.91 2k9y h VAL 537 Ca 0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k9y h VAL 537 Cb 0.53 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2k9y h VAL 537 CO 0.03 0.00 -0.47 0.40 0.02 0.00 0.00 177.57 177.56 2k9y h ILE 538 N 0.00 0.03 -0.75 4.57 2.04 -1.63 -2.40 117.51 119.37 2k9y h ILE 538 Ca 0.07 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2k9y h ILE 538 Cb 0.60 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2k9y h ILE 538 CO -0.00 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.88 2k9y h GLY 539 N -1.32 1.06 0.16 5.37 0.00 -1.61 0.17 103.07 106.91 2k9y h GLY 539 Ca -0.13 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 46.88 2k9y h GLY 539 CO 0.22 0.38 -0.13 -1.33 0.00 0.00 0.00 176.54 175.68 2k9y h GLY 540 N 1.01 0.22 0.18 4.60 0.00 -1.46 0.34 103.07 107.96 2k9y h GLY 540 Ca 0.28 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2k9y h GLY 540 CO -0.06 -0.17 -0.04 -2.08 0.00 0.00 0.00 176.54 174.19 2k9y h VAL 541 N -0.04 0.94 -0.01 4.60 2.07 -1.23 -2.44 116.25 120.14 2k9y h VAL 541 Ca 0.19 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2k9y h VAL 541 Cb 0.33 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2k9y h VAL 541 CO -0.42 0.28 -0.44 0.00 0.02 0.00 0.00 177.57 177.01 2k9y h ALA 542 N -0.36 -0.87 -0.28 1.67 0.00 -0.59 0.04 119.26 118.87 2k9y h ALA 542 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k9y h ALA 542 Cb 0.55 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 2k9y h ALA 542 CO 0.02 -1.00 -0.03 0.28 0.00 0.00 0.00 179.25 178.52 2k9y h VAL 543 N -0.55 0.77 -0.93 0.00 2.07 -0.49 -1.55 116.25 115.57 2k9y h VAL 543 Ca 0.01 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 67.71 2k9y h VAL 543 Cb 0.59 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 2k9y h VAL 543 CO -0.30 0.01 0.60 1.23 0.02 0.00 0.00 177.57 179.13 2k9y h GLY 544 N 0.05 1.14 1.03 2.17 0.00 -0.98 -0.35 103.07 106.13 2k9y h GLY 544 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 2k9y h GLY 544 CO -0.25 -0.01 -0.14 -2.08 0.00 0.00 0.00 176.54 174.06 2k9y h VAL 545 N 0.53 1.27 0.40 4.60 2.07 0.02 -2.71 116.25 122.43 2k9y h VAL 545 Ca 0.50 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2k9y h VAL 545 Cb 1.07 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2k9y h VAL 545 CO -0.23 0.43 -0.37 0.58 0.02 0.00 0.00 177.57 178.01 2k9y h VAL 546 N 0.71 0.25 -0.53 2.57 2.07 -0.66 0.04 116.25 120.70 2k9y h VAL 546 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 2k9y h VAL 546 Cb 0.70 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2k9y h VAL 546 CO 0.05 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.66 2k9y h LEU 547 N -0.78 -0.03 -1.31 2.57 3.38 -1.50 -0.31 115.31 117.33 2k9y h LEU 547 Ca -0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k9y h LEU 547 Cb 0.69 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2k9y h LEU 547 CO -0.04 0.01 0.48 0.25 0.09 0.00 0.00 178.44 179.22 2k9y h LEU 548 N 0.22 0.80 -1.17 1.67 7.12 -1.19 -1.80 115.31 120.96 2k9y h LEU 548 Ca 0.27 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 2k9y h LEU 548 Cb 0.38 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 2k9y h LEU 548 CO -0.36 0.57 0.48 0.25 -0.13 0.00 0.00 178.44 179.25 2k9y h LEU 549 N 0.94 0.92 0.64 2.25 6.46 0.78 -1.60 115.31 125.70 2k9y h LEU 549 Ca 0.27 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2k9y h LEU 549 Cb -0.06 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 39.65 2k9y h LEU 549 CO -0.07 0.70 -0.31 0.58 -0.62 0.00 0.00 178.44 178.72 2k9y h VAL 550 N 1.06 0.17 -0.99 1.05 2.07 -0.83 -2.19 116.25 116.59 2k9y h VAL 550 Ca 0.28 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.67 2k9y h VAL 550 Cb -0.06 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 29.83 2k9y h VAL 550 CO -0.05 0.02 0.61 -0.07 0.02 0.00 0.00 177.57 178.10 2k9y h LEU 551 N -1.13 0.70 0.00 2.57 -0.00 -1.39 0.24 115.31 116.29 2k9y h LEU 551 Ca -0.09 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k9y h LEU 551 Cb 0.70 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 2k9y h LEU 551 CO 0.14 0.25 0.00 0.00 -0.00 0.00 0.00 178.44 178.84 2k9y n ALA 552 N -2.38 -0.28 0.10 1.53 0.00 -0.61 0.02 120.51 118.89 2k9y n ALA 552 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 2k9y n ALA 552 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2k9y n ALA 552 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9y h GLY 553 N 0.00 -0.77 2.00 0.00 0.00 -1.26 0.60 103.07 103.65 2k9y h GLY 553 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2k9y h GLY 553 CO 0.00 -0.26 0.00 -0.62 0.00 0.00 0.00 176.54 175.66 2k9y n VAL 554 N -5.45 1.04 -0.03 4.60 0.31 0.83 0.29 118.33 119.91 2k9y n VAL 554 Ca -0.07 0.56 -0.14 0.00 -0.01 0.00 0.00 64.34 64.68 2k9y n VAL 554 Cb 0.37 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.66 2k9y n VAL 554 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k9y h GLY 555 N 0.75 0.17 0.40 2.92 0.00 0.19 -3.17 103.07 104.34 2k9y h GLY 555 Ca 0.00 -0.25 -0.36 0.00 0.00 0.00 0.00 47.33 46.72 2k9y h GLY 555 CO 0.00 0.22 -2.15 0.33 0.00 0.00 0.00 176.54 174.94 2k9y n PHE 556 N -4.59 0.62 0.28 5.60 -0.00 -0.98 -3.92 117.46 114.47 2k9y n PHE 556 Ca -0.09 0.16 0.18 0.00 -0.00 0.00 0.00 57.45 57.70 2k9y n PHE 556 Cb 0.43 -1.09 0.97 0.00 -0.00 0.00 0.00 39.48 39.78 2k9y n PHE 556 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 2k9y h PHE 557 N 0.02 0.00 0.00 -5.13 3.57 -0.34 0.28 116.94 115.35 2k9y h PHE 557 Ca -0.46 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.74 2k9y h PHE 557 Cb 2.03 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.72 2k9y h PHE 557 CO 0.04 0.00 -1.70 0.97 -2.23 0.00 0.00 178.31 175.39 2k9y h ILE 558 N 0.00 0.86 -1.68 1.41 6.09 -1.70 -3.40 117.51 119.10 2k9y h ILE 558 Ca 0.00 -2.71 -0.47 0.00 -1.37 0.00 0.00 64.86 60.31 2k9y h ILE 558 Cb 0.03 2.43 -0.41 0.00 0.47 0.00 0.00 36.82 39.35 2k9y h ILE 558 CO 0.00 0.51 -1.06 1.41 -3.07 0.00 0.00 178.15 175.94 2k9y n HIS 559 N -3.07 1.47 0.12 2.19 8.25 -0.35 -4.87 115.22 118.97 2k9y n HIS 559 Ca -0.17 -3.44 0.00 0.00 -0.26 0.00 0.00 57.72 53.85 2k9y n HIS 559 Cb 1.05 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.81 2k9y n HIS 559 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2k9y h ARG 560 N 2.95 0.00 0.00 -0.41 -0.00 -0.73 -3.30 114.38 112.88 2k9y h ARG 560 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.02 2k9y h ARG 560 Cb 0.96 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.87 2k9y h ARG 560 CO 0.59 0.62 -0.38 0.54 -0.00 0.00 0.00 179.97 181.35 2k9y n ARG 561 N -3.32 0.94 -1.01 0.08 1.74 -1.26 -5.10 116.66 108.74 2k9y n ARG 561 Ca 0.01 -2.40 0.14 0.00 -0.77 0.00 0.00 57.85 54.83 2k9y n ARG 561 Cb 0.76 -1.13 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 2k9y n ARG 561 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k9y n ARG 562 N -0.81 -2.03 0.00 5.56 1.74 -1.25 -5.26 116.66 114.62 2k9y n ARG 562 Ca 0.12 1.34 0.03 0.00 -0.77 0.00 0.00 57.85 58.58 2k9y n ARG 562 Cb 0.73 -2.48 0.03 0.00 -1.02 0.00 0.00 32.46 29.72 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47