#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4g n PRO 517 N 0.00 0.82 -3.63 1.97 -0.02 -1.26 -4.59 135.00 128.29 1r4g n PRO 517 Ca 0.00 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1r4g n PRO 517 Cb 0.00 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1r4g n PRO 517 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1r4g s THR 518 N 2.94 0.00 0.28 3.45 -4.23 -1.26 -4.97 115.64 111.85 1r4g s THR 518 Ca 0.98 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1r4g s THR 518 Cb -1.17 -2.02 0.30 0.00 1.34 0.00 0.00 72.50 70.95 1r4g s THR 518 CO 0.67 0.00 1.66 0.24 -0.54 0.00 0.00 174.62 176.65 1r4g h MET 519 N 2.00 0.23 -0.65 3.99 2.86 -1.99 0.22 114.93 121.59 1r4g h MET 519 Ca -0.30 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1r4g h MET 519 Cb 1.20 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1r4g h MET 519 CO 0.28 0.15 0.19 1.25 1.06 0.00 0.00 176.91 179.85 1r4g h HIS 520 N 0.24 1.06 -0.34 -0.22 -0.00 -1.96 -0.14 115.15 113.79 1r4g h HIS 520 Ca 0.54 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.77 1r4g h HIS 520 Cb 1.05 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1r4g h HIS 520 CO -0.25 0.86 0.11 1.03 -0.00 0.00 0.00 177.93 179.68 1r4g h SER 521 N 0.94 0.49 -0.37 3.26 0.87 -0.94 0.10 113.55 117.91 1r4g h SER 521 Ca 0.21 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1r4g h SER 521 Cb 0.31 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1r4g h SER 521 CO -0.00 0.56 0.13 0.25 -0.53 0.00 0.00 176.83 177.24 1r4g h LEU 522 N 0.40 0.15 -0.52 2.23 5.85 -0.64 0.21 115.31 122.99 1r4g h LEU 522 Ca 0.11 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1r4g h LEU 522 Cb 0.24 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1r4g h LEU 522 CO -0.00 0.12 0.27 -0.09 -0.34 0.00 0.00 178.44 178.40 1r4g h ARG 523 N 0.29 0.51 -0.70 1.25 2.43 -0.65 -1.43 114.38 116.08 1r4g h ARG 523 Ca 0.17 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1r4g h ARG 523 Cb 0.14 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1r4g h ARG 523 CO -0.16 0.34 0.41 -0.07 -1.51 0.00 0.00 179.97 178.98 1r4g h LEU 524 N 0.53 0.65 -0.51 3.80 4.07 0.57 0.17 115.31 124.59 1r4g h LEU 524 Ca 0.23 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.28 1r4g h LEU 524 Cb 0.13 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 1r4g h LEU 524 CO -0.15 0.43 0.18 0.58 -1.08 0.00 0.00 178.44 178.40 1r4g h VAL 525 N 0.79 0.82 -0.27 1.22 2.07 0.31 0.58 116.25 121.75 1r4g h VAL 525 Ca 0.30 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.56 1r4g h VAL 525 Cb 0.11 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1r4g h VAL 525 CO -0.15 0.06 -0.35 0.40 0.02 0.00 0.00 177.57 177.56 1r4g h ILE 526 N 0.35 1.30 -0.54 4.57 1.08 -0.38 -3.29 117.51 120.60 1r4g h ILE 526 Ca 0.25 -1.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.13 1r4g h ILE 526 Cb 0.27 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1r4g h ILE 526 CO -0.26 0.49 0.10 -0.33 -0.69 0.00 0.00 178.15 177.46 1r4g h GLU 527 N 0.45 0.86 0.00 2.37 5.08 -0.11 -3.41 114.58 119.82 1r4g h GLU 527 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1r4g h GLU 527 Cb 0.93 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r4g h GLU 527 CO 0.08 0.79 0.00 0.43 -1.00 0.00 0.00 179.01 179.31 1r4g n SER 528 N -4.25 0.00 -0.06 1.42 7.64 0.14 -4.93 113.62 113.58 1r4g n SER 528 Ca 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 1r4g n SER 528 Cb 0.25 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1r4g n SER 528 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1r4g n SER 529 N 0.00 1.54 -4.33 6.43 7.64 -1.26 -4.91 113.62 118.72 1r4g n SER 529 Ca 0.00 0.54 -0.57 0.00 1.01 0.00 0.00 58.87 59.85 1r4g n SER 529 Cb 0.00 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.30 1r4g n SER 529 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1r4g n PRO 530 N -4.23 0.41 0.00 1.43 -0.02 -1.26 -4.67 135.00 126.66 1r4g n PRO 530 Ca -0.07 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1r4g n PRO 530 Cb 0.25 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1r4g n PRO 530 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r4g n LEU 531 N 8.32 0.00 0.00 2.45 7.99 -1.26 -4.65 117.00 129.85 1r4g n LEU 531 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.49 1r4g n LEU 531 Cb 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1r4g n LEU 531 CO 0.83 0.00 0.00 -1.54 -1.51 0.00 0.00 177.39 175.17 1r4g n SER 532 N 0.00 0.00 -0.08 -1.43 3.41 -1.26 -4.91 113.62 109.35 1r4g n SER 532 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1r4g n SER 532 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1r4g n SER 532 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r4g n ARG 533 N 0.00 0.48 0.05 4.33 0.63 -1.26 -4.28 116.66 116.61 1r4g n ARG 533 Ca 0.00 0.51 -0.07 0.00 -0.92 0.00 0.00 57.85 57.36 1r4g n ARG 533 Cb 0.00 -1.68 -0.05 0.00 0.45 0.00 0.00 32.46 31.18 1r4g n ARG 533 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r4g h ALA 534 N -0.92 -0.23 -0.39 5.13 0.00 -1.99 -1.66 119.26 119.21 1r4g h ALA 534 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1r4g h ALA 534 Cb 0.70 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1r4g h ALA 534 CO -0.04 -0.24 0.26 1.05 0.00 0.00 0.00 179.25 180.27 1r4g h GLU 535 N -1.00 0.43 0.41 0.00 4.11 -1.98 0.12 114.58 116.67 1r4g h GLU 535 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1r4g h GLU 535 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1r4g h GLU 535 CO 0.04 0.28 -0.20 -0.22 0.07 0.00 0.00 179.01 178.98 1r4g h LYS 536 N 0.44 -0.53 -0.14 1.06 3.64 -1.74 0.75 116.57 120.05 1r4g h LYS 536 Ca 0.16 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1r4g h LYS 536 Cb 0.08 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1r4g h LYS 536 CO -0.04 -0.24 -0.30 0.00 -2.27 0.00 0.00 179.45 176.61 1r4g h ALA 537 N -0.37 -0.32 0.50 5.00 0.00 -0.56 0.17 119.26 123.67 1r4g h ALA 537 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r4g h ALA 537 Cb 0.54 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1r4g h ALA 537 CO 0.09 -0.77 -0.51 0.00 0.00 0.00 0.00 179.25 178.07 1r4g h ALA 538 N 0.50 -1.14 -0.20 0.00 0.00 -1.00 -0.97 119.26 116.46 1r4g h ALA 538 Ca 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r4g h ALA 538 Cb 0.52 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1r4g h ALA 538 CO -0.35 -1.18 0.00 -0.92 0.00 0.00 0.00 179.25 176.80 1r4g h TYR 539 N -1.01 -0.01 -0.54 0.00 3.20 -0.68 -0.44 116.97 117.49 1r4g h TYR 539 Ca -0.06 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.90 1r4g h TYR 539 Cb 0.88 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 1r4g h TYR 539 CO -0.26 -0.03 0.19 0.28 -1.64 0.00 0.00 178.16 176.70 1r4g h VAL 540 N 0.07 0.79 -0.36 1.81 2.07 -0.58 0.30 116.25 120.34 1r4g h VAL 540 Ca 0.09 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1r4g h VAL 540 Cb 0.11 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1r4g h VAL 540 CO -0.15 0.07 0.21 0.11 0.02 0.00 0.00 177.57 177.82 1r4g h LYS 541 N 0.36 0.49 -0.52 1.57 6.56 -0.75 0.55 116.57 124.82 1r4g h LYS 541 Ca 0.27 -0.05 0.08 0.00 -1.06 0.00 0.00 60.65 59.89 1r4g h LYS 541 Cb 0.31 -0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 31.81 1r4g h LYS 541 CO -0.28 0.39 0.16 1.03 -2.06 0.00 0.00 179.45 178.69 1r4g h SER 542 N 0.46 0.13 -0.37 0.86 0.87 0.25 -0.63 113.55 115.12 1r4g h SER 542 Ca 0.13 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1r4g h SER 542 Cb 0.03 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1r4g h SER 542 CO -0.02 0.10 0.17 0.25 -0.53 0.00 0.00 176.83 176.79 1r4g h LEU 543 N 0.33 0.50 -2.09 2.23 5.85 -0.14 -1.92 115.31 120.07 1r4g h LEU 543 Ca 0.26 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1r4g h LEU 543 Cb 0.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1r4g h LEU 543 CO -0.28 0.50 0.14 -1.28 -0.34 0.00 0.00 178.44 177.18 1r4g h SER 544 N 0.46 0.00 0.00 1.25 0.87 0.03 -2.17 113.55 113.98 1r4g h SER 544 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1r4g h SER 544 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1r4g h SER 544 CO -0.01 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.46 1r4g n LYS 545 N -4.30 0.40 -0.50 2.24 3.00 -0.33 -4.87 118.16 113.79 1r4g n LYS 545 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.04 1r4g n LYS 545 Cb 0.27 -1.02 0.22 0.00 0.00 0.00 0.00 35.03 34.50 1r4g n LYS 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r4g n LYS 547 N -3.53 0.00 0.00 0.00 4.81 -1.26 -5.05 118.16 113.13 1r4g n LYS 547 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1r4g n LYS 547 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1r4g n LYS 547 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1r4g n THR 548 N -3.08 0.00 0.09 3.15 -1.04 -1.26 -5.08 114.28 107.06 1r4g n THR 548 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1r4g n THR 548 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1r4g n THR 548 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1r4g n ASP 549 N 0.00 0.23 -0.32 8.00 8.00 -1.26 -4.68 116.55 126.52 1r4g n ASP 549 Ca 0.00 0.31 0.19 0.00 0.71 0.00 0.00 54.79 56.00 1r4g n ASP 549 Cb 0.00 0.13 0.45 0.00 -0.02 0.00 0.00 41.12 41.67 1r4g n ASP 549 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1r4g h GLN 550 N 0.00 0.50 0.30 -1.24 3.07 -2.00 0.15 115.11 115.89 1r4g h GLN 550 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1r4g h GLN 550 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1r4g h GLN 550 CO 0.00 0.33 -0.14 1.49 0.09 0.00 0.00 178.83 180.60 1r4g h GLU 551 N 0.51 -0.39 -0.77 0.06 4.81 -2.00 -2.72 114.58 114.09 1r4g h GLU 551 Ca 0.58 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.91 1r4g h GLU 551 Cb 1.28 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 1r4g h GLU 551 CO -0.33 -0.05 0.44 0.28 -0.73 0.00 0.00 179.01 178.62 1r4g h VAL 552 N -0.91 0.97 -0.31 0.32 2.07 -1.57 -1.00 116.25 115.82 1r4g h VAL 552 Ca -0.04 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1r4g h VAL 552 Cb 0.51 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1r4g h VAL 552 CO 0.07 0.15 -0.13 0.07 0.02 0.00 0.00 177.57 177.75 1r4g h LYS 553 N 0.80 0.53 -0.48 1.57 5.09 -0.81 0.96 116.57 124.23 1r4g h LYS 553 Ca 0.35 -0.16 0.02 0.00 0.09 0.00 0.00 60.65 60.95 1r4g h LYS 553 Cb 0.23 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 32.47 1r4g h LYS 553 CO -0.20 0.65 0.28 0.00 -2.09 0.00 0.00 179.45 178.10 1r4g h ALA 554 N 1.38 0.61 -0.18 0.07 0.00 -0.85 0.19 119.26 120.48 1r4g h ALA 554 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1r4g h ALA 554 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r4g h ALA 554 CO 0.03 -0.03 -0.43 -0.24 0.00 0.00 0.00 179.25 178.58 1r4g h VAL 555 N 0.56 1.31 -0.73 0.00 3.04 -1.03 -2.40 116.25 117.00 1r4g h VAL 555 Ca 0.20 -1.60 0.03 0.00 -1.01 0.00 0.00 66.70 64.32 1r4g h VAL 555 Cb 0.03 1.64 -0.05 0.00 -2.01 0.00 0.00 31.29 30.91 1r4g h VAL 555 CO -0.10 0.49 0.46 -0.03 -1.01 0.00 0.00 177.57 177.38 1r4g h MET 556 N 0.35 0.86 -0.51 4.17 -1.53 0.25 0.02 114.93 118.53 1r4g h MET 556 Ca 0.03 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1r4g h MET 556 Cb 0.90 -0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 31.73 1r4g h MET 556 CO 0.08 0.57 0.31 0.93 0.14 0.00 0.00 176.91 178.94 1r4g h GLU 557 N 0.89 0.69 0.73 0.39 5.08 -0.34 -2.76 114.58 119.25 1r4g h GLU 557 Ca 0.29 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1r4g h GLU 557 Cb 0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1r4g h GLU 557 CO -0.11 0.48 -0.42 1.25 -1.00 0.00 0.00 179.01 179.20 1r4g h LEU 558 N 0.70 -1.05 -1.07 1.33 7.12 -0.51 -2.06 115.31 119.78 1r4g h LEU 558 Ca 0.19 0.05 0.19 0.00 0.13 0.00 0.00 57.88 58.44 1r4g h LEU 558 Cb -0.04 0.30 -0.10 0.00 -0.53 0.00 0.00 40.66 40.29 1r4g h LEU 558 CO -0.04 -0.67 0.61 1.62 -0.13 0.00 0.00 178.44 179.84 1r4g h VAL 559 N -1.08 0.70 0.05 1.05 3.04 -1.21 0.19 116.25 118.98 1r4g h VAL 559 Ca -0.10 -0.25 0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1r4g h VAL 559 Cb 0.86 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 1r4g h VAL 559 CO 0.11 0.13 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.38 1r4g h GLU 560 N 0.72 -0.18 -0.42 4.17 5.08 -1.20 -2.04 114.58 120.70 1r4g h GLU 560 Ca 0.57 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.84 1r4g h GLU 560 Cb 0.95 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1r4g h GLU 560 CO -0.36 -0.12 -0.15 0.93 -1.00 0.00 0.00 179.01 178.31 1r4g h GLU 561 N -0.19 0.79 -0.93 2.33 4.39 -0.55 -2.67 114.58 117.76 1r4g h GLU 561 Ca 0.02 -0.28 0.13 0.00 0.34 0.00 0.00 59.36 59.57 1r4g h GLU 561 Cb 0.21 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.72 1r4g h GLU 561 CO -0.07 0.89 0.55 0.22 -1.16 0.00 0.00 179.01 179.44 1r4g h ASP 562 N 0.71 0.76 -0.09 1.42 3.58 -0.26 -0.71 116.42 121.82 1r4g h ASP 562 Ca 0.11 0.06 -0.23 0.00 0.42 0.00 0.00 57.03 57.39 1r4g h ASP 562 Cb 0.64 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.63 1r4g h ASP 562 CO 0.04 0.38 -0.86 0.40 -2.88 0.00 0.00 179.24 176.33 1r4g h ILE 563 N 0.84 1.29 0.00 2.25 2.04 -1.19 0.15 117.51 122.89 1r4g h ILE 563 Ca 0.48 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1r4g h ILE 563 Cb 0.55 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1r4g h ILE 563 CO -0.30 0.65 0.00 -0.62 0.00 0.00 0.00 178.15 177.88 1r4g n GLU 564 N -3.94 0.12 -0.10 2.37 1.02 -0.47 -0.04 120.64 119.60 1r4g n GLU 564 Ca -0.09 0.57 -0.17 0.00 -0.02 0.00 0.00 57.16 57.44 1r4g n GLU 564 Cb 0.79 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 30.27 1r4g n GLU 564 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1r4g n SER 565 N -2.10 2.10 -0.17 1.62 3.41 -0.40 -4.47 113.62 113.61 1r4g n SER 565 Ca -0.00 0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1r4g n SER 565 Cb 0.07 -0.44 0.22 0.00 -0.26 0.00 0.00 64.21 63.80 1r4g n SER 565 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1r4g h LEU 566 N -0.28 0.81 -2.77 1.04 5.85 -0.47 -3.48 115.31 116.01 1r4g h LEU 566 Ca -0.49 -0.09 -0.24 0.00 0.84 0.00 0.00 57.88 57.90 1r4g h LEU 566 Cb 1.62 -0.21 0.08 0.00 0.37 0.00 0.00 40.66 42.52 1r4g h LEU 566 CO -0.17 0.70 -0.61 0.41 -0.34 0.00 0.00 178.44 178.43 1r4g n THR 567 N -4.34 -8.01 -0.67 1.05 -1.04 0.94 -5.07 114.28 97.14 1r4g n THR 567 Ca 0.06 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1r4g n THR 567 Cb 0.14 -5.70 0.00 0.00 -1.82 0.00 0.00 70.33 62.95 1r4g n THR 567 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02