#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7r n GLN 543 N 0.00 0.00 0.10 5.56 -0.06 -1.26 -4.81 117.38 116.91 2x7r n GLN 543 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2x7r n GLN 543 Cb 0.00 -0.90 0.29 0.00 -4.06 0.00 0.00 30.24 25.57 2x7r n GLN 543 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 2x7r h LEU 544 N 0.56 0.23 -0.24 1.69 5.85 -2.05 -2.95 115.31 118.40 2x7r h LEU 544 Ca -0.30 -0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.14 2x7r h LEU 544 Cb 1.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2x7r h LEU 544 CO 0.46 0.53 -0.66 -0.07 -0.34 0.00 0.00 178.44 178.36 2x7r h LEU 545 N 0.21 0.94 -0.46 2.25 3.38 -1.99 -0.90 115.31 118.73 2x7r h LEU 545 Ca 0.03 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.51 2x7r h LEU 545 Cb 0.64 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2x7r h LEU 545 CO 0.05 1.36 0.10 -1.28 0.09 0.00 0.00 178.44 178.75 2x7r h SER 546 N 0.59 0.02 -0.09 -0.43 0.87 -1.90 -0.87 113.55 111.74 2x7r h SER 546 Ca -0.02 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2x7r h SER 546 Cb 1.28 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2x7r h SER 546 CO 0.14 0.04 0.01 1.23 -0.53 0.00 0.00 176.83 177.73 2x7r h GLY 547 N 0.23 0.16 0.65 5.77 0.00 -1.31 -0.72 103.07 107.86 2x7r h GLY 547 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2x7r h GLY 547 CO -0.30 0.10 -0.39 -2.22 0.00 0.00 0.00 176.54 173.73 2x7r h ILE 548 N -0.09 0.21 -0.55 2.60 2.04 -1.08 1.00 117.51 121.64 2x7r h ILE 548 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2x7r h ILE 548 Cb 0.28 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2x7r h ILE 548 CO 0.00 0.00 0.28 0.58 0.00 0.00 0.00 178.15 179.01 2x7r h VAL 549 N -0.83 0.95 0.00 1.67 2.07 -1.19 0.86 116.25 119.78 2x7r h VAL 549 Ca -0.04 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2x7r h VAL 549 Cb 0.73 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2x7r h VAL 549 CO -0.03 0.10 -0.05 -0.61 0.02 0.00 0.00 177.57 176.99 2x7r h GLN 550 N 0.53 0.00 0.12 1.57 5.75 -0.97 -2.25 115.11 119.85 2x7r h GLN 550 Ca 0.24 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.47 2x7r h GLN 550 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2x7r h GLN 550 CO -0.17 0.05 -1.21 0.37 -2.65 0.00 0.00 178.83 175.22 2x7r h GLN 551 N 0.00 0.28 -0.73 1.69 5.75 0.14 -2.58 115.11 119.66 2x7r h GLN 551 Ca -0.00 -0.46 -0.03 0.00 -0.15 0.00 0.00 58.65 58.02 2x7r h GLN 551 Cb 0.18 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2x7r h GLN 551 CO 0.01 1.21 0.35 1.96 -2.65 0.00 0.00 178.83 179.70 2x7r h GLN 552 N 0.09 1.05 -0.58 1.69 4.20 -0.44 -1.90 115.11 119.22 2x7r h GLN 552 Ca -0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 2x7r h GLN 552 Cb 1.93 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 29.49 2x7r h GLN 552 CO 0.20 0.81 0.30 -0.97 -0.67 0.00 0.00 178.83 178.50 2x7r h ASN 553 N 1.04 0.74 -0.89 1.46 -1.24 -1.39 -1.95 115.58 113.35 2x7r h ASN 553 Ca 0.25 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 2x7r h ASN 553 Cb 0.11 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 2x7r h ASN 553 CO -0.03 0.64 0.55 0.78 -1.29 0.00 0.00 177.43 178.07 2x7r h ASN 554 N 0.78 1.07 -0.14 1.15 2.35 -1.03 -1.85 115.58 117.92 2x7r h ASN 554 Ca 0.20 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2x7r h ASN 554 Cb 0.08 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2x7r h ASN 554 CO -0.03 0.82 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.40 2x7r h LEU 555 N 1.23 0.32 -0.44 1.61 3.38 -1.18 -1.59 115.31 118.64 2x7r h LEU 555 Ca 0.32 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2x7r h LEU 555 Cb -0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2x7r h LEU 555 CO -0.06 0.70 0.04 0.25 0.09 0.00 0.00 178.44 179.45 2x7r h LEU 556 N -0.05 -0.11 -1.03 1.67 5.85 -1.24 0.26 115.31 120.66 2x7r h LEU 556 Ca 0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2x7r h LEU 556 Cb 0.59 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2x7r h LEU 556 CO 0.03 -0.02 0.55 0.03 -0.34 0.00 0.00 178.44 178.69 2x7r h ARG 557 N 0.15 1.22 -0.44 1.25 3.08 -1.28 0.13 114.38 118.49 2x7r h ARG 557 Ca 0.22 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2x7r h ARG 557 Cb 0.30 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2x7r h ARG 557 CO -0.33 0.84 0.24 0.00 -1.07 0.00 0.00 179.97 179.65 2x7r h ALA 558 N 1.37 0.56 0.08 0.04 0.00 -0.04 0.56 119.26 121.83 2x7r h ALA 558 Ca 0.33 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2x7r h ALA 558 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2x7r h ALA 558 CO -0.06 0.09 -0.16 0.82 0.00 0.00 0.00 179.25 179.93 2x7r h ILE 559 N 0.57 0.62 -0.59 0.00 2.04 0.28 0.11 117.51 120.54 2x7r h ILE 559 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 2x7r h ILE 559 Cb 0.06 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 2x7r h ILE 559 CO -0.02 0.00 0.27 -0.33 0.00 0.00 0.00 178.15 178.06 2x7r h GLU 560 N -0.31 0.47 -0.69 2.37 5.08 -0.52 0.25 114.58 121.24 2x7r h GLU 560 Ca 0.03 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2x7r h GLU 560 Cb 0.33 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2x7r h GLU 560 CO -0.10 0.31 0.25 0.00 -1.00 0.00 0.00 179.01 178.48 2x7r h ALA 561 N 1.36 0.89 -0.43 3.43 0.00 -0.63 -1.89 119.26 122.00 2x7r h ALA 561 Ca 0.28 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2x7r h ALA 561 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2x7r h ALA 561 CO -0.24 0.54 -0.10 1.96 0.00 0.00 0.00 179.25 181.41 2x7r h GLN 562 N 0.99 0.76 -0.43 0.00 4.20 0.35 -2.40 115.11 118.58 2x7r h GLN 562 Ca 0.23 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2x7r h GLN 562 Cb 0.25 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2x7r h GLN 562 CO -0.01 0.84 0.27 0.37 -0.67 0.00 0.00 178.83 179.62 2x7r h GLN 563 N 0.69 0.52 -0.72 1.46 5.75 0.03 0.23 115.11 123.08 2x7r h GLN 563 Ca 0.12 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2x7r h GLN 563 Cb 0.57 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 2x7r h GLN 563 CO 0.04 0.35 0.42 0.45 -2.65 0.00 0.00 178.83 177.43 2x7r h HIS 564 N 0.54 0.76 -0.37 3.99 3.86 -1.22 0.25 115.15 122.97 2x7r h HIS 564 Ca 0.17 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2x7r h HIS 564 Cb -0.02 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 2x7r h HIS 564 CO -0.06 0.37 0.22 1.25 0.86 0.00 0.00 177.93 180.57 2x7r h LEU 565 N 0.76 0.44 -1.53 2.43 5.85 -0.75 -0.09 115.31 122.42 2x7r h LEU 565 Ca 0.32 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2x7r h LEU 565 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2x7r h LEU 565 CO -0.18 0.37 0.27 -0.07 -0.34 0.00 0.00 178.44 178.49 2x7r h LEU 566 N 0.48 0.51 -0.76 2.25 3.38 -0.03 -0.57 115.31 120.57 2x7r h LEU 566 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2x7r h LEU 566 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2x7r h LEU 566 CO -0.02 0.39 -0.20 1.56 0.09 0.00 0.00 178.44 180.25 2x7r h GLN 567 N 0.60 0.72 -0.48 1.13 1.08 -0.36 -0.12 115.11 117.68 2x7r h GLN 567 Ca 0.16 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2x7r h GLN 567 Cb -0.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2x7r h GLN 567 CO -0.03 0.87 0.15 -0.07 -0.95 0.00 0.00 178.83 178.80 2x7r h LEU 568 N 0.64 0.70 -0.72 1.46 3.38 0.31 -2.15 115.31 118.92 2x7r h LEU 568 Ca 0.09 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2x7r h LEU 568 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2x7r h LEU 568 CO 0.05 0.73 -0.49 0.71 0.09 0.00 0.00 178.44 179.53 2x7r h THR 569 N 0.65 1.33 -0.92 0.22 1.35 -1.01 -2.62 112.91 111.90 2x7r h THR 569 Ca 0.16 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2x7r h THR 569 Cb 0.27 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 2x7r h THR 569 CO -0.00 0.52 0.59 0.58 -0.25 0.00 0.00 175.52 176.95 2x7r h VAL 570 N 0.30 1.25 -0.21 6.82 2.07 -0.86 -2.16 116.25 123.45 2x7r h VAL 570 Ca 0.01 -0.49 -0.17 0.00 0.82 0.00 0.00 66.70 66.87 2x7r h VAL 570 Cb 0.97 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2x7r h VAL 570 CO 0.08 0.25 -0.55 -0.25 0.02 0.00 0.00 177.57 177.12 2x7r h TRP 571 N 1.26 0.96 -0.25 1.57 7.01 -1.18 -2.36 115.95 122.96 2x7r h TRP 571 Ca 0.34 -0.37 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 2x7r h TRP 571 Cb -0.10 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 2x7r h TRP 571 CO 0.00 1.18 0.15 0.78 -2.79 0.00 0.00 178.44 177.76 2x7r h GLY 572 N 0.47 0.37 0.66 2.65 0.00 -1.33 0.14 103.07 106.03 2x7r h GLY 572 Ca -0.01 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.25 2x7r h GLY 572 CO 0.12 0.15 0.64 -2.22 0.00 0.00 0.00 176.54 175.23 2x7r h ILE 573 N 0.31 1.03 -0.44 2.60 2.04 -1.40 0.28 117.51 121.93 2x7r h ILE 573 Ca 0.09 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2x7r h ILE 573 Cb 0.02 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 35.91 2x7r h ILE 573 CO -0.02 0.20 0.01 0.11 0.00 0.00 0.00 178.15 178.46 2x7r h LYS 574 N 1.11 0.77 -0.71 2.37 1.57 -0.83 0.56 116.57 121.41 2x7r h LYS 574 Ca 0.45 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2x7r h LYS 574 Cb 0.28 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2x7r h LYS 574 CO -0.20 0.83 0.24 0.37 -0.57 0.00 0.00 179.45 180.11 2x7r h GLN 575 N 0.61 1.08 -0.24 3.15 4.15 -0.26 -0.91 115.11 122.69 2x7r h GLN 575 Ca 0.13 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2x7r h GLN 575 Cb 0.47 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2x7r h GLN 575 CO 0.02 0.91 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.75 2x7r h LEU 576 N 1.04 0.43 -2.69 -2.39 3.38 -0.17 -2.51 115.31 112.40 2x7r h LEU 576 Ca 0.23 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2x7r h LEU 576 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2x7r h LEU 576 CO -0.01 0.65 0.02 1.56 0.09 0.00 0.00 178.44 180.75 2x7r h GLN 577 N 0.20 0.00 0.03 1.13 4.20 0.44 -0.37 115.11 120.74 2x7r h GLN 577 Ca 0.07 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.56 2x7r h GLN 577 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2x7r h GLN 577 CO 0.02 0.00 -0.97 0.00 -0.67 0.00 0.00 178.83 177.20 2x7r h ALA 578 N 1.98 0.41 0.13 3.87 0.00 -0.74 -3.34 119.26 121.56 2x7r h ALA 578 Ca 0.00 -0.80 -0.32 0.00 0.00 0.00 0.00 54.91 53.80 2x7r h ALA 578 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2x7r h ALA 578 CO -0.00 1.01 -1.60 0.00 0.00 0.00 0.00 179.25 178.66 2x7r h ARG 579 N 0.07 0.27 0.00 0.00 2.47 -0.88 -3.51 114.38 112.80 2x7r h ARG 579 Ca -0.05 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2x7r h ARG 579 Cb 1.65 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.14 2x7r h ARG 579 CO 0.14 1.14 0.00 -0.89 0.56 0.00 0.00 179.97 180.93