#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 2.18 -3.29 1.97 -0.02 -1.26 -4.90 135.00 129.68 1r4g n PRO 517 Ca 0.00 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1r4g n PRO 517 Cb 0.00 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.10 1r4g n PRO 517 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1r4g n THR 518 N 0.94 0.00 0.01 3.45 5.66 -1.26 -5.02 114.28 118.06 1r4g n THR 518 Ca 0.07 -0.54 -0.11 0.00 -3.05 0.00 0.00 64.05 60.42 1r4g n THR 518 Cb 0.35 0.66 0.03 0.00 -1.55 0.00 0.00 70.33 69.81 1r4g n THR 518 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1r4g h MET 519 N 0.00 0.55 -0.05 1.09 2.86 -2.01 -3.06 114.93 114.30 1r4g h MET 519 Ca -0.23 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 56.97 1r4g h MET 519 Cb 0.95 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1r4g h MET 519 CO 0.30 1.00 -0.22 0.45 1.06 0.00 0.00 176.91 179.50 1r4g h HIS 520 N 0.41 0.09 -0.35 -0.22 3.86 -1.97 -2.28 115.15 114.69 1r4g h HIS 520 Ca -0.01 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 1r4g h HIS 520 Cb 1.19 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1r4g h HIS 520 CO 0.05 0.30 -0.13 0.66 0.86 0.00 0.00 177.93 179.68 1r4g h SER 521 N 0.08 0.60 -0.03 2.45 4.64 -1.88 0.14 113.55 119.55 1r4g h SER 521 Ca 0.01 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1r4g h SER 521 Cb 0.44 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1r4g h SER 521 CO 0.03 0.76 0.01 0.25 -0.87 0.00 0.00 176.83 177.01 1r4g h LEU 522 N 0.56 0.04 -0.91 5.97 7.12 -1.46 0.15 115.31 126.79 1r4g h LEU 522 Ca 0.10 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1r4g h LEU 522 Cb 0.55 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.62 1r4g h LEU 522 CO 0.03 0.22 0.52 0.03 -0.13 0.00 0.00 178.44 179.11 1r4g h ARG 523 N -0.14 1.25 -0.56 1.25 3.08 -1.24 -0.86 114.38 117.17 1r4g h ARG 523 Ca 0.01 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1r4g h ARG 523 Cb 0.19 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1r4g h ARG 523 CO -0.00 0.90 0.36 1.25 -1.07 0.00 0.00 179.97 181.41 1r4g h LEU 524 N 1.26 0.65 -0.29 3.04 5.85 -0.31 0.13 115.31 125.63 1r4g h LEU 524 Ca 0.32 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1r4g h LEU 524 Cb -0.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1r4g h LEU 524 CO -0.05 0.48 0.03 0.58 -0.34 0.00 0.00 178.44 179.14 1r4g h VAL 525 N 0.75 0.83 -0.05 1.05 2.07 0.01 0.39 116.25 121.30 1r4g h VAL 525 Ca 0.20 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1r4g h VAL 525 Cb -0.07 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1r4g h VAL 525 CO -0.04 0.02 0.03 0.40 0.02 0.00 0.00 177.57 178.00 1r4g h ILE 526 N 0.13 1.04 -0.52 4.57 2.04 -0.50 0.36 117.51 124.63 1r4g h ILE 526 Ca 0.14 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1r4g h ILE 526 Cb 0.17 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1r4g h ILE 526 CO -0.21 0.04 0.35 -0.33 0.00 0.00 0.00 178.15 177.99 1r4g h GLU 527 N 0.03 0.65 0.01 2.37 5.08 -0.23 -2.19 114.58 120.30 1r4g h GLU 527 Ca 0.02 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1r4g h GLU 527 Cb 0.03 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1r4g h GLU 527 CO -0.00 0.43 -0.89 0.66 -1.00 0.00 0.00 179.01 178.21 1r4g h SER 528 N 0.67 0.06 -3.82 1.42 4.64 0.17 -3.45 113.55 113.24 1r4g h SER 528 Ca 0.20 -0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.95 1r4g h SER 528 Cb -0.02 -0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1r4g h SER 528 CO -0.05 0.92 0.52 -0.44 -0.87 0.00 0.00 176.83 176.91 1r4g s SER 529 N -6.80 7.13 -0.99 4.97 0.01 0.08 -4.90 113.70 113.20 1r4g s SER 529 Ca -0.01 2.38 -0.07 0.00 1.31 0.00 0.00 55.95 59.57 1r4g s SER 529 Cb 0.11 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1r4g s SER 529 CO 0.81 -0.25 2.50 -0.81 0.41 0.00 0.00 173.24 175.90 1r4g n PRO 530 N 1.10 2.50 -2.60 12.44 -0.04 -1.26 -4.91 135.00 142.23 1r4g n PRO 530 Ca -0.01 -1.57 -0.31 0.00 -0.04 0.00 0.00 63.50 61.57 1r4g n PRO 530 Cb 0.44 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.41 1r4g n PRO 530 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r4g s LEU 531 N 0.10 3.71 0.00 1.53 1.02 -1.26 -5.08 118.68 118.70 1r4g s LEU 531 Ca 0.51 1.34 0.00 0.00 0.02 0.00 0.00 54.13 56.00 1r4g s LEU 531 Cb 0.15 -4.25 0.00 0.00 0.02 0.00 0.00 46.19 42.11 1r4g s LEU 531 CO -0.04 -0.51 0.00 -1.20 0.02 0.00 0.00 176.35 174.63 1r4g n SER 532 N -1.51 0.00 -0.08 2.29 7.64 -1.26 -4.79 113.62 115.91 1r4g n SER 532 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.82 1r4g n SER 532 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1r4g n SER 532 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1r4g h ARG 533 N 0.00 0.00 -0.14 1.43 9.65 -1.98 -3.35 114.38 119.98 1r4g h ARG 533 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1r4g h ARG 533 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1r4g h ARG 533 CO 0.00 0.33 0.01 0.00 2.80 0.00 0.00 179.97 183.11 1r4g h ALA 534 N -0.83 0.19 -0.42 2.80 0.00 -1.99 -1.59 119.26 117.43 1r4g h ALA 534 Ca -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1r4g h ALA 534 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1r4g h ALA 534 CO -0.07 -0.12 0.11 0.93 0.00 0.00 0.00 179.25 180.10 1r4g h GLU 535 N -0.01 0.66 0.32 0.00 5.08 -1.95 0.15 114.58 118.83 1r4g h GLU 535 Ca 0.04 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1r4g h GLU 535 Cb 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1r4g h GLU 535 CO 0.01 0.66 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.30 1r4g h LYS 536 N 0.53 -0.42 0.48 2.33 3.64 -1.69 -0.37 116.57 121.07 1r4g h LYS 536 Ca 0.13 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1r4g h LYS 536 Cb 0.29 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1r4g h LYS 536 CO -0.00 -0.28 -0.28 0.00 -2.27 0.00 0.00 179.45 176.62 1r4g h ALA 537 N 0.24 -0.72 -0.02 5.00 0.00 -1.18 -0.26 119.26 122.33 1r4g h ALA 537 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1r4g h ALA 537 Cb 0.34 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1r4g h ALA 537 CO 0.07 -0.91 -0.32 0.00 0.00 0.00 0.00 179.25 178.08 1r4g h ALA 538 N -0.23 -0.46 -0.29 0.00 0.00 -0.65 0.11 119.26 117.74 1r4g h ALA 538 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1r4g h ALA 538 Cb 0.58 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1r4g h ALA 538 CO 0.07 -0.83 0.14 -0.92 0.00 0.00 0.00 179.25 177.70 1r4g h TYR 539 N -0.47 0.42 -0.98 0.00 3.20 -1.06 -0.65 116.97 117.43 1r4g h TYR 539 Ca 0.06 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1r4g h TYR 539 Cb 0.56 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.64 1r4g h TYR 539 CO -0.35 0.39 0.63 0.28 -1.64 0.00 0.00 178.16 177.47 1r4g h VAL 540 N 0.33 1.08 -0.24 1.81 2.07 -0.67 0.27 116.25 120.91 1r4g h VAL 540 Ca 0.10 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1r4g h VAL 540 Cb 0.13 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1r4g h VAL 540 CO -0.01 0.21 0.12 0.11 0.02 0.00 0.00 177.57 178.02 1r4g h LYS 541 N 1.13 0.34 -0.78 1.57 6.56 -0.44 -0.91 116.57 124.04 1r4g h LYS 541 Ca 0.42 -0.05 0.09 0.00 -1.06 0.00 0.00 60.65 60.06 1r4g h LYS 541 Cb 0.19 -0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.71 1r4g h LYS 541 CO -0.17 0.33 0.43 0.77 -2.06 0.00 0.00 179.45 178.75 1r4g h SER 542 N 0.26 0.61 -0.63 0.86 0.02 0.51 -0.69 113.55 114.49 1r4g h SER 542 Ca 0.08 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1r4g h SER 542 Cb 0.10 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1r4g h SER 542 CO -0.01 0.35 0.34 0.25 -1.14 0.00 0.00 176.83 176.62 1r4g h LEU 543 N 0.73 0.80 -2.10 5.07 5.85 -0.12 -1.35 115.31 124.18 1r4g h LEU 543 Ca 0.38 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1r4g h LEU 543 Cb 0.36 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1r4g h LEU 543 CO -0.25 0.67 0.16 -1.28 -0.34 0.00 0.00 178.44 177.40 1r4g h SER 544 N 0.86 0.00 0.00 1.25 0.87 0.26 -1.97 113.55 114.83 1r4g h SER 544 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1r4g h SER 544 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1r4g h SER 544 CO -0.03 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.44 1r4g n LYS 545 N -4.24 0.31 -0.32 2.24 4.81 -0.51 -4.85 118.16 115.62 1r4g n LYS 545 Ca 0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.16 1r4g n LYS 545 Cb 0.30 -1.06 0.28 0.00 0.02 0.00 0.00 35.03 34.57 1r4g n LYS 545 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r4g n LYS 547 N -5.41 0.00 0.00 0.00 4.81 -1.26 -5.11 118.16 111.19 1r4g n LYS 547 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1r4g n LYS 547 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 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 -3.22 0.00 0.00 3.15 -1.04 -1.26 -5.11 114.28 106.80 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 -0.90 -0.64 0.00 0.00 175.07 173.53 1r4g n ASP 549 N 0.00 0.17 -0.12 8.00 5.75 -1.26 -4.67 116.55 124.42 1r4g n ASP 549 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1r4g n ASP 549 Cb 0.00 0.00 0.41 0.00 -1.03 0.00 0.00 41.12 40.50 1r4g n ASP 549 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1r4g h GLN 550 N 0.00 0.59 -0.14 0.11 1.08 -1.99 0.13 115.11 114.89 1r4g h GLN 550 Ca 0.00 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1r4g h GLN 550 Cb 0.25 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1r4g h GLN 550 CO 0.00 0.39 -0.25 1.05 -0.95 0.00 0.00 178.83 179.07 1r4g h GLU 551 N 0.61 0.42 -0.47 1.46 4.11 -1.99 -2.21 114.58 116.50 1r4g h GLU 551 Ca 0.27 -0.26 -0.08 0.00 0.07 0.00 0.00 59.36 59.36 1r4g h GLU 551 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1r4g h GLU 551 CO -0.08 0.86 -0.03 0.28 0.07 0.00 0.00 179.01 180.10 1r4g h VAL 552 N 0.02 1.25 -0.20 -1.06 2.07 -1.56 0.62 116.25 117.39 1r4g h VAL 552 Ca 0.01 -1.06 -0.17 0.00 0.82 0.00 0.00 66.70 66.29 1r4g h VAL 552 Cb 0.84 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1r4g h VAL 552 CO 0.06 0.37 -0.59 0.07 0.02 0.00 0.00 177.57 177.50 1r4g h LYS 553 N 0.75 0.64 -0.93 1.57 5.09 -0.82 -0.24 116.57 122.62 1r4g h LYS 553 Ca 0.14 -0.42 0.00 0.00 0.09 0.00 0.00 60.65 60.46 1r4g h LYS 553 Cb 0.50 0.06 -0.05 0.00 0.10 0.00 0.00 32.23 32.84 1r4g h LYS 553 CO 0.03 1.04 0.60 0.00 -2.09 0.00 0.00 179.45 179.02 1r4g h ALA 554 N 0.86 1.30 -0.33 0.07 0.00 -0.86 -0.20 119.26 120.11 1r4g h ALA 554 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1r4g h ALA 554 Cb 1.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1r4g h ALA 554 CO 0.11 0.63 0.07 0.28 0.00 0.00 0.00 179.25 180.34 1r4g h VAL 555 N 1.27 1.16 -0.84 0.00 2.07 -0.22 -1.47 116.25 118.22 1r4g h VAL 555 Ca 0.34 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1r4g h VAL 555 Cb -0.11 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1r4g h VAL 555 CO -0.07 0.21 0.50 0.24 0.02 0.00 0.00 177.57 178.46 1r4g h MET 556 N 0.47 1.15 -0.65 1.57 2.86 0.74 0.88 114.93 121.95 1r4g h MET 556 Ca 0.11 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1r4g h MET 556 Cb 0.20 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1r4g h MET 556 CO -0.00 0.81 0.43 0.93 1.06 0.00 0.00 176.91 180.14 1r4g h GLU 557 N 1.17 0.86 -0.40 1.72 4.39 -0.87 0.12 114.58 121.56 1r4g h GLU 557 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1r4g h GLU 557 Cb -0.03 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1r4g h GLU 557 CO -0.05 0.57 0.25 1.25 -1.16 0.00 0.00 179.01 179.87 1r4g h LEU 558 N 0.88 0.47 -0.29 1.33 6.46 -0.40 -0.75 115.31 123.01 1r4g h LEU 558 Ca 0.24 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 1r4g h LEU 558 Cb -0.10 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 1r4g h LEU 558 CO -0.05 0.35 0.08 0.58 -0.62 0.00 0.00 178.44 178.78 1r4g h VAL 559 N 0.55 0.89 0.05 1.05 2.07 0.01 0.27 116.25 121.14 1r4g h VAL 559 Ca 0.15 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1r4g h VAL 559 Cb -0.04 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1r4g h VAL 559 CO -0.03 0.03 -0.29 -0.33 0.02 0.00 0.00 177.57 176.97 1r4g h GLU 560 N 0.19 -0.45 -0.70 1.57 5.08 -0.95 -2.36 114.58 116.96 1r4g h GLU 560 Ca 0.13 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1r4g h GLU 560 Cb 0.12 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1r4g h GLU 560 CO -0.15 -0.30 0.47 0.93 -1.00 0.00 0.00 179.01 178.95 1r4g h GLU 561 N -0.47 0.93 -0.45 2.33 4.39 -0.90 -2.63 114.58 117.78 1r4g h GLU 561 Ca 0.05 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1r4g h GLU 561 Cb 0.53 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 1r4g h GLU 561 CO -0.22 0.61 0.16 0.22 -1.16 0.00 0.00 179.01 178.62 1r4g h ASP 562 N 0.95 0.16 0.64 1.42 3.58 0.04 0.19 116.42 123.40 1r4g h ASP 562 Ca 0.26 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1r4g h ASP 562 Cb -0.11 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1r4g h ASP 562 CO -0.06 0.12 -0.42 0.40 -2.88 0.00 0.00 179.24 176.40 1r4g h ILE 563 N 0.32 0.15 0.00 2.25 1.08 -1.11 -1.25 117.51 118.95 1r4g h ILE 563 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1r4g h ILE 563 Cb 0.21 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1r4g h ILE 563 CO -0.22 0.00 0.12 -0.62 -0.69 0.00 0.00 178.15 176.75 1r4g n GLU 564 N -5.55 0.00 -0.03 2.37 1.02 -0.76 0.05 120.64 117.74 1r4g n GLU 564 Ca -0.13 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.19 1r4g n GLU 564 Cb 0.44 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 1r4g n GLU 564 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1r4g h SER 565 N 0.00 0.08 0.34 1.62 0.02 0.28 -3.33 113.55 112.56 1r4g h SER 565 Ca 0.00 -0.65 -0.32 0.00 -0.84 0.00 0.00 61.79 59.99 1r4g h SER 565 Cb 0.25 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1r4g h SER 565 CO 0.00 0.72 -1.91 -0.11 -1.14 0.00 0.00 176.83 174.39 1r4g n LEU 566 N -4.71 0.71 0.00 5.07 7.94 -0.74 -5.00 117.00 120.28 1r4g n LEU 566 Ca -0.09 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1r4g n LEU 566 Cb 0.36 0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1r4g n LEU 566 CO 0.35 0.44 0.00 0.41 -1.11 0.00 0.00 177.39 177.48 1r4g n THR 567 N -2.98 0.00 1.30 1.96 -1.04 0.11 -5.15 114.28 108.49 1r4g n THR 567 Ca -0.22 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1r4g n THR 567 Cb 1.08 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 70.21 1r4g n THR 567 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97