#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4g s PRO 517 N 0.00 1.47 0.00 1.97 0.02 -1.26 -5.04 135.00 132.16 1r4g s PRO 517 Ca 0.00 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1r4g s PRO 517 Cb 0.00 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1r4g s PRO 517 CO 0.00 -2.33 0.00 0.25 -0.33 0.00 0.00 177.00 174.59 1r4g n THR 518 N -3.52 0.00 0.24 0.99 -2.24 -1.26 -4.31 114.28 104.18 1r4g n THR 518 Ca 0.13 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 1r4g n THR 518 Cb 0.51 0.00 0.88 0.00 -2.10 0.00 0.00 70.33 69.61 1r4g n THR 518 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1r4g h MET 519 N 0.00 0.00 -0.66 -0.78 2.86 -2.02 -1.17 114.93 113.16 1r4g h MET 519 Ca 0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1r4g h MET 519 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1r4g h MET 519 CO 0.00 0.00 0.54 1.25 1.06 0.00 0.00 176.91 179.76 1r4g h HIS 520 N 0.00 0.00 -0.20 -0.22 -0.00 -1.99 -0.03 115.15 112.71 1r4g h HIS 520 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1r4g h HIS 520 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1r4g h HIS 520 CO 0.00 0.00 0.13 0.77 -0.00 0.00 0.00 177.93 178.83 1r4g h SER 521 N 0.00 0.22 -0.66 3.26 0.02 -1.40 0.98 113.55 115.98 1r4g h SER 521 Ca 0.31 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1r4g h SER 521 Cb 1.40 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.85 1r4g h SER 521 CO -0.00 0.17 0.19 0.25 -1.14 0.00 0.00 176.83 176.30 1r4g h LEU 522 N 0.26 0.99 -0.39 5.07 5.85 -1.22 0.75 115.31 126.62 1r4g h LEU 522 Ca 0.07 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1r4g h LEU 522 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1r4g h LEU 522 CO -0.02 0.94 0.21 -0.09 -0.34 0.00 0.00 178.44 179.14 1r4g h ARG 523 N 1.02 0.41 -0.49 1.25 1.12 -1.07 -1.06 114.38 115.55 1r4g h ARG 523 Ca 0.22 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.08 1r4g h ARG 523 Cb 0.31 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.15 1r4g h ARG 523 CO -0.00 0.27 0.30 1.25 -3.11 0.00 0.00 179.97 178.68 1r4g h LEU 524 N 0.42 0.50 -0.55 3.80 6.46 0.09 -0.01 115.31 126.02 1r4g h LEU 524 Ca 0.16 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.02 1r4g h LEU 524 Cb 0.05 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.79 1r4g h LEU 524 CO -0.10 0.36 0.12 0.58 -0.62 0.00 0.00 178.44 178.78 1r4g h VAL 525 N 0.61 0.68 -0.04 1.05 2.07 -0.16 0.26 116.25 120.72 1r4g h VAL 525 Ca 0.19 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1r4g h VAL 525 Cb -0.02 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1r4g h VAL 525 CO -0.07 0.05 -0.00 0.40 0.02 0.00 0.00 177.57 177.96 1r4g h ILE 526 N 0.25 1.28 -0.41 4.57 1.08 -0.49 -2.99 117.51 120.79 1r4g h ILE 526 Ca 0.28 -0.84 0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1r4g h ILE 526 Cb 0.40 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 1r4g h ILE 526 CO -0.36 0.22 0.28 -0.33 -0.69 0.00 0.00 178.15 177.27 1r4g h GLU 527 N -0.27 0.29 0.00 2.37 4.39 -0.31 0.26 114.58 121.31 1r4g h GLU 527 Ca 0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1r4g h GLU 527 Cb 0.36 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1r4g h GLU 527 CO 0.00 0.19 -0.09 0.66 -1.16 0.00 0.00 179.01 178.61 1r4g h SER 528 N 0.30 0.00 -3.12 1.42 4.64 -0.38 -3.42 113.55 112.98 1r4g h SER 528 Ca 0.18 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.91 1r4g h SER 528 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 1r4g h SER 528 CO -0.04 0.09 -0.14 -0.44 -0.87 0.00 0.00 176.83 175.44 1r4g s SER 529 N -5.90 6.88 -0.65 4.97 0.01 0.08 -4.98 113.70 114.12 1r4g s SER 529 Ca -0.00 1.05 -0.06 0.00 1.31 0.00 0.00 55.95 58.24 1r4g s SER 529 Cb 0.10 -2.29 -0.15 0.00 0.21 0.00 0.00 66.02 63.90 1r4g s SER 529 CO 0.57 0.27 2.80 -0.81 0.41 0.00 0.00 173.24 176.49 1r4g n PRO 530 N 1.98 2.29 -2.37 12.44 -0.04 -1.26 -4.93 135.00 143.12 1r4g n PRO 530 Ca -0.12 -1.33 -0.35 0.00 -0.04 0.00 0.00 63.50 61.66 1r4g n PRO 530 Cb 0.52 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 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 0.07 3.78 0.00 1.53 1.02 -1.26 -5.04 118.68 118.78 1r4g s LEU 531 Ca 0.55 2.08 0.00 0.00 0.02 0.00 0.00 54.13 56.78 1r4g s LEU 531 Cb 0.20 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.84 1r4g s LEU 531 CO -0.02 -1.05 0.00 -1.20 0.02 0.00 0.00 176.35 174.09 1r4g n SER 532 N -1.18 0.00 -0.08 2.29 7.64 -1.26 -4.69 113.62 116.34 1r4g n SER 532 Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.87 1r4g n SER 532 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1r4g n SER 532 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1r4g h ARG 533 N 0.00 0.00 -0.36 1.43 0.11 -1.98 -3.32 114.38 110.26 1r4g h ARG 533 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 1r4g h ARG 533 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1r4g h ARG 533 CO 0.00 0.45 -0.29 0.00 0.10 0.00 0.00 179.97 180.24 1r4g h ALA 534 N -0.74 0.52 0.09 0.08 0.00 -1.98 -1.13 119.26 116.09 1r4g h ALA 534 Ca -0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1r4g h ALA 534 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1r4g h ALA 534 CO -0.08 0.54 -0.04 0.93 0.00 0.00 0.00 179.25 180.59 1r4g h GLU 535 N 0.62 -0.12 -0.00 0.00 4.39 -1.94 0.13 114.58 117.66 1r4g h GLU 535 Ca 0.07 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1r4g h GLU 535 Cb 0.86 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1r4g h GLU 535 CO 0.07 0.18 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.76 1r4g h LYS 536 N -0.42 -0.20 -0.39 2.33 3.64 -1.66 -2.28 116.57 117.60 1r4g h LYS 536 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1r4g h LYS 536 Cb 0.35 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1r4g h LYS 536 CO 0.02 -0.13 0.12 0.00 -2.27 0.00 0.00 179.45 177.19 1r4g h ALA 537 N 0.75 0.45 0.13 5.00 0.00 -1.14 -0.85 119.26 123.60 1r4g h ALA 537 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1r4g h ALA 537 Cb 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1r4g h ALA 537 CO -0.12 -0.28 -0.38 0.00 0.00 0.00 0.00 179.25 178.47 1r4g h ALA 538 N 1.26 -0.67 0.23 0.00 0.00 -0.40 0.13 119.26 119.81 1r4g h ALA 538 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1r4g h ALA 538 Cb 0.18 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r4g h ALA 538 CO -0.20 -0.94 -0.11 -0.92 0.00 0.00 0.00 179.25 177.08 1r4g h TYR 539 N -0.62 -0.29 -0.22 0.00 3.20 -1.30 -1.73 116.97 116.01 1r4g h TYR 539 Ca 0.02 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1r4g h TYR 539 Cb 0.65 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 1r4g h TYR 539 CO -0.33 -0.06 -0.19 0.28 -1.64 0.00 0.00 178.16 176.22 1r4g h VAL 540 N -0.48 0.50 -0.43 1.81 2.07 -1.02 0.15 116.25 118.85 1r4g h VAL 540 Ca -0.03 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1r4g h VAL 540 Cb 0.36 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1r4g h VAL 540 CO 0.05 0.00 -0.22 0.07 0.02 0.00 0.00 177.57 177.49 1r4g h LYS 541 N -0.19 0.87 -0.64 1.57 -0.00 -0.78 -1.18 116.57 116.22 1r4g h LYS 541 Ca 0.13 -0.36 -0.06 0.00 -0.00 0.00 0.00 60.65 60.36 1r4g h LYS 541 Cb 0.38 -0.04 -0.03 0.00 -0.00 0.00 0.00 32.23 32.55 1r4g h LYS 541 CO -0.33 1.00 0.17 0.66 -0.00 0.00 0.00 179.45 180.95 1r4g h SER 542 N 0.75 0.93 -0.55 7.07 4.64 -0.84 -0.12 113.55 125.44 1r4g h SER 542 Ca 0.10 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1r4g h SER 542 Cb 0.76 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1r4g h SER 542 CO 0.06 0.89 0.27 0.25 -0.87 0.00 0.00 176.83 177.43 1r4g h LEU 543 N 0.95 0.71 -1.54 5.97 6.46 -0.48 -1.87 115.31 125.51 1r4g h LEU 543 Ca 0.21 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1r4g h LEU 543 Cb 0.32 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1r4g h LEU 543 CO -0.00 0.63 0.33 -1.28 -0.62 0.00 0.00 178.44 177.50 1r4g h SER 544 N 0.73 0.52 0.00 1.25 0.87 -0.35 -2.62 113.55 113.96 1r4g h SER 544 Ca 0.19 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1r4g h SER 544 Cb 0.10 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1r4g h SER 544 CO -0.03 0.37 0.00 1.17 -0.53 0.00 0.00 176.83 177.82 1r4g n LYS 545 N -4.47 0.05 -1.01 2.24 3.00 -0.14 -4.87 118.16 112.97 1r4g n LYS 545 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.01 1r4g n LYS 545 Cb 0.10 -1.09 0.06 0.00 0.00 0.00 0.00 35.03 34.11 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 0.76 0.00 -0.44 0.00 4.81 -1.26 -4.96 118.16 117.07 1r4g n LYS 547 Ca 0.03 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1r4g n LYS 547 Cb 0.53 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.87 1r4g n LYS 547 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r4g n THR 548 N -2.12 1.60 0.00 3.15 -2.24 -1.26 -5.00 114.28 108.41 1r4g n THR 548 Ca 0.00 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1r4g n THR 548 Cb 0.00 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1r4g n THR 548 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r4g n ASP 549 N 0.73 0.00 -0.34 3.42 8.00 -1.26 -4.66 116.55 122.43 1r4g n ASP 549 Ca 0.21 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.91 1r4g n ASP 549 Cb 0.74 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 42.25 1r4g n ASP 549 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1r4g h GLN 550 N 0.00 0.48 0.52 -1.24 4.20 -1.98 0.16 115.11 117.24 1r4g h GLN 550 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1r4g h GLN 550 Cb 0.00 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.68 1r4g h GLN 550 CO 0.00 0.32 -0.25 0.93 -0.67 0.00 0.00 178.83 179.16 1r4g h GLU 551 N 0.49 -0.67 -0.89 1.46 4.39 -1.99 -1.51 114.58 115.86 1r4g h GLU 551 Ca 0.68 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.52 1r4g h GLU 551 Cb 1.38 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 30.12 1r4g h GLU 551 CO -0.52 -0.37 0.57 0.28 -1.16 0.00 0.00 179.01 177.82 1r4g h VAL 552 N -0.93 0.95 0.05 3.13 2.07 -1.56 0.04 116.25 120.01 1r4g h VAL 552 Ca -0.07 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1r4g h VAL 552 Cb 0.61 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1r4g h VAL 552 CO 0.12 0.16 -0.03 0.50 0.02 0.00 0.00 177.57 178.34 1r4g h LYS 553 N 0.86 -0.07 -0.45 1.57 3.11 -0.65 0.25 116.57 121.20 1r4g h LYS 553 Ca 0.42 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.28 1r4g h LYS 553 Cb 0.44 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 1r4g h LYS 553 CO -0.18 0.11 0.26 0.00 -2.81 0.00 0.00 179.45 176.83 1r4g h ALA 554 N 0.70 0.57 -0.54 5.00 0.00 -0.31 0.13 119.26 124.82 1r4g h ALA 554 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1r4g h ALA 554 Cb 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1r4g h ALA 554 CO 0.01 -0.06 0.15 0.28 0.00 0.00 0.00 179.25 179.63 1r4g h VAL 555 N 0.52 1.22 -0.04 0.00 2.07 -0.81 -1.37 116.25 117.84 1r4g h VAL 555 Ca 0.18 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1r4g h VAL 555 Cb 0.03 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1r4g h VAL 555 CO -0.09 0.28 -0.03 -0.03 0.02 0.00 0.00 177.57 177.73 1r4g h MET 556 N 0.78 0.09 -1.00 1.57 1.85 0.09 -2.73 114.93 115.58 1r4g h MET 556 Ca 0.18 -0.04 0.13 0.00 -0.61 0.00 0.00 59.70 59.36 1r4g h MET 556 Cb 0.25 -0.00 -0.09 0.00 0.43 0.00 0.00 31.60 32.19 1r4g h MET 556 CO -0.01 0.50 0.63 0.93 -0.40 0.00 0.00 176.91 178.56 1r4g h GLU 557 N -0.32 0.93 -0.00 0.39 5.08 -0.54 -1.08 114.58 119.04 1r4g h GLU 557 Ca 0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1r4g h GLU 557 Cb 0.48 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1r4g h GLU 557 CO 0.01 0.62 -0.14 1.25 -1.00 0.00 0.00 179.01 179.74 1r4g h LEU 558 N 0.96 -0.42 -0.86 1.33 7.12 -1.07 0.11 115.31 122.48 1r4g h LEU 558 Ca 0.51 0.06 0.12 0.00 0.13 0.00 0.00 57.88 58.70 1r4g h LEU 558 Cb 0.55 0.18 -0.08 0.00 -0.53 0.00 0.00 40.66 40.78 1r4g h LEU 558 CO -0.28 -0.20 0.48 0.58 -0.13 0.00 0.00 178.44 178.88 1r4g h VAL 559 N -0.24 0.83 0.46 1.05 2.07 -0.91 0.20 116.25 119.71 1r4g h VAL 559 Ca 0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1r4g h VAL 559 Cb 0.30 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1r4g h VAL 559 CO -0.14 0.14 -0.22 -0.33 0.02 0.00 0.00 177.57 177.03 1r4g h GLU 560 N 0.74 -0.59 -0.87 1.57 4.39 -0.87 -2.96 114.58 115.99 1r4g h GLU 560 Ca 0.44 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.18 1r4g h GLU 560 Cb 0.51 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1r4g h GLU 560 CO -0.30 -0.35 0.53 0.93 -1.16 0.00 0.00 179.01 178.66 1r4g h GLU 561 N -1.12 1.18 -0.53 2.33 4.39 -0.75 -1.87 114.58 118.21 1r4g h GLU 561 Ca -0.06 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.63 1r4g h GLU 561 Cb 0.52 -0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 1r4g h GLU 561 CO 0.10 0.82 0.12 0.22 -1.16 0.00 0.00 179.01 179.11 1r4g h ASP 562 N 1.20 0.02 0.00 1.42 3.58 -0.64 0.27 116.42 122.27 1r4g h ASP 562 Ca 0.31 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1r4g h ASP 562 Cb -0.05 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1r4g h ASP 562 CO -0.06 0.03 0.00 -0.38 -2.88 0.00 0.00 179.24 175.95 1r4g n ILE 563 N -5.11 0.00 -0.15 2.25 2.08 -0.93 -3.46 119.36 114.04 1r4g n ILE 563 Ca 0.07 1.12 0.14 0.00 0.56 0.00 0.00 62.75 64.63 1r4g n ILE 563 Cb 0.26 -2.10 0.26 0.00 -0.75 0.00 0.00 39.64 37.31 1r4g n ILE 563 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1r4g n GLU 564 N -1.94 -0.03 0.25 0.38 1.02 -0.75 0.19 120.64 119.76 1r4g n GLU 564 Ca 0.00 0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 57.68 1r4g n GLU 564 Cb 0.00 -1.17 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.58 0.51 1.62 0.02 -1.03 -3.04 113.55 111.04 1r4g h SER 565 Ca 0.39 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1r4g h SER 565 Cb 0.99 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1r4g h SER 565 CO -0.38 -0.18 -0.16 0.25 -1.14 0.00 0.00 176.83 175.22 1r4g h LEU 566 N -1.08 0.00 -6.68 5.07 5.85 -0.58 -3.30 115.31 114.58 1r4g h LEU 566 Ca -0.07 0.00 -0.70 0.00 0.84 0.00 0.00 57.88 57.95 1r4g h LEU 566 Cb 0.59 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.26 1r4g h LEU 566 CO 0.11 0.16 0.03 0.41 -0.34 0.00 0.00 178.44 178.81 1r4g n THR 567 N -3.60 3.62 1.39 1.05 -1.04 0.13 -5.11 114.28 110.72 1r4g n THR 567 Ca -0.01 -5.48 0.11 0.00 -2.04 0.00 0.00 64.05 56.63 1r4g n THR 567 Cb 0.30 -2.15 0.66 0.00 -1.82 0.00 0.00 70.33 67.32 1r4g n THR 567 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23