#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k85 n MET 558 N 0.00 2.96 -2.33 -0.41 -0.00 -1.26 -5.07 117.12 111.01 1k85 n MET 558 Ca 0.00 -4.52 -0.33 0.00 -0.00 0.00 0.00 57.70 52.85 1k85 n MET 558 Cb 0.00 -2.41 -0.02 0.00 -0.00 0.00 0.00 33.22 30.79 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 s ALA 559 N -1.79 2.95 1.00 3.17 0.00 -1.26 -4.91 121.76 120.91 1k85 s ALA 559 Ca 0.30 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1k85 s ALA 559 Cb -0.02 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1k85 s ALA 559 CO -0.07 -0.39 0.00 -0.35 0.00 0.00 0.00 175.76 174.95 1k85 n PRO 560 N -1.59 0.04 -3.52 0.00 -0.04 -1.26 -4.91 135.00 123.71 1k85 n PRO 560 Ca 0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 1k85 n PRO 560 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1k85 n PRO 560 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k85 s THR 561 N -0.56 5.14 0.05 0.52 2.01 -1.26 -4.44 115.64 117.11 1k85 s THR 561 Ca 0.00 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 1k85 s THR 561 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1k85 s THR 561 CO 0.00 0.51 1.20 0.00 -0.69 0.00 0.00 174.62 175.65 1k85 s ALA 562 N -0.57 3.40 0.46 7.40 0.00 -1.26 -4.52 121.76 126.68 1k85 s ALA 562 Ca 0.22 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 1k85 s ALA 562 Cb -0.15 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 1k85 s ALA 562 CO 0.10 -0.46 0.49 -2.30 0.00 0.00 0.00 175.76 173.59 1k85 n PRO 563 N 4.03 0.52 -4.14 0.00 -0.02 -1.26 -4.88 135.00 129.24 1k85 n PRO 563 Ca 0.09 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 1k85 n PRO 563 Cb 0.46 -1.51 -0.11 0.00 -0.02 0.00 0.00 33.50 32.32 1k85 n PRO 563 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1k85 s THR 564 N -1.57 0.80 -0.75 3.45 -1.32 -1.22 -3.97 115.64 111.08 1k85 s THR 564 Ca 0.64 -1.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.60 1k85 s THR 564 Cb -0.56 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.25 1k85 s THR 564 CO 0.58 -0.54 0.68 0.59 -2.21 0.00 0.00 174.62 173.72 1k85 n ASN 565 N 0.76 -7.17 -4.89 8.08 5.03 -1.26 -2.36 115.26 113.46 1k85 n ASN 565 Ca -0.18 -0.24 -0.29 0.00 0.87 0.00 0.00 54.58 54.74 1k85 n ASN 565 Cb 0.57 -4.52 0.00 0.00 -1.02 0.00 0.00 39.78 34.81 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1k85 s LEU 566 N -4.15 3.45 0.26 3.41 2.96 -1.26 -3.82 118.68 119.52 1k85 s LEU 566 Ca 0.01 1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 54.89 1k85 s LEU 566 Cb -0.00 -4.18 0.03 0.00 0.50 0.00 0.00 46.19 42.53 1k85 s LEU 566 CO 0.78 -0.71 0.75 0.00 -1.32 0.00 0.00 176.35 175.86 1k85 s ALA 567 N -2.93 -1.29 -0.05 5.97 0.00 -0.09 -4.96 121.76 118.41 1k85 s ALA 567 Ca 0.51 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1k85 s ALA 567 Cb -0.11 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1k85 s ALA 567 CO 0.48 -1.03 -0.19 -1.54 0.00 0.00 0.00 175.76 173.48 1k85 s SER 568 N -2.92 2.36 0.00 0.00 1.04 -1.26 -1.65 113.70 111.27 1k85 s SER 568 Ca 0.11 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1k85 s SER 568 Cb -0.05 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1k85 s SER 568 CO 0.06 0.16 0.00 0.35 0.98 0.00 0.00 173.24 174.79 1k85 n THR 569 N 3.22 0.00 -2.91 2.02 -2.24 -0.80 -4.96 114.28 108.60 1k85 n THR 569 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1k85 n THR 569 Cb 0.53 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1k85 n THR 569 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 570 N -3.06 3.18 -0.16 6.98 0.00 -1.25 -4.94 121.76 122.52 1k85 s ALA 570 Ca 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1k85 s ALA 570 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.35 1k85 s ALA 570 CO 0.00 -2.69 -0.17 -1.14 0.00 0.00 0.00 175.76 171.76 1k85 s GLN 571 N 3.76 2.60 0.00 0.00 -0.44 -1.26 -0.07 119.66 124.25 1k85 s GLN 571 Ca 0.20 -0.68 0.00 0.00 -2.50 0.00 0.00 55.36 52.38 1k85 s GLN 571 Cb -0.18 -2.28 0.00 0.00 -1.64 0.00 0.00 33.01 28.91 1k85 s GLN 571 CO 0.09 -0.19 0.00 0.25 0.50 0.00 0.00 175.29 175.94 1k85 n THR 572 N 4.61 0.00 -0.41 -0.34 -2.24 -0.44 -5.00 114.28 110.46 1k85 n THR 572 Ca -0.19 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1k85 n THR 572 Cb 0.50 -0.49 0.15 0.00 -2.10 0.00 0.00 70.33 68.39 1k85 n THR 572 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 573 N -0.01 2.32 0.15 4.28 -2.24 -1.26 -4.52 114.28 112.99 1k85 n THR 573 Ca 0.00 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1k85 n THR 573 Cb 0.00 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1k85 n THR 573 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k85 n SER 574 N -0.38 -2.76 -4.65 3.42 3.41 -1.26 -4.40 113.62 107.00 1k85 n SER 574 Ca 0.35 0.71 -0.35 0.00 -0.26 0.00 0.00 58.87 59.33 1k85 n SER 574 Cb 1.19 2.72 -0.09 0.00 -0.26 0.00 0.00 64.21 67.76 1k85 n SER 574 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k85 s SER 575 N -2.00 5.78 0.02 4.04 1.04 -1.26 -3.10 113.70 118.22 1k85 s SER 575 Ca 0.00 0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.63 1k85 s SER 575 Cb 0.00 -2.00 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 1k85 s SER 575 CO 0.00 0.17 -0.25 -0.51 0.98 0.00 0.00 173.24 173.62 1k85 s ILE 576 N 0.41 2.03 -0.14 -1.02 2.07 -1.06 -1.33 121.20 122.17 1k85 s ILE 576 Ca 0.04 -1.26 0.01 0.00 -1.41 0.00 0.00 60.65 58.04 1k85 s ILE 576 Cb -0.12 -1.72 -0.00 0.00 0.13 0.00 0.00 42.46 40.75 1k85 s ILE 576 CO -0.00 0.42 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.38 1k85 s THR 577 N -0.73 2.52 0.08 4.00 2.01 0.90 -2.40 115.64 122.03 1k85 s THR 577 Ca 0.11 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.37 1k85 s THR 577 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1k85 s THR 577 CO 0.01 0.53 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.45 1k85 s LEU 578 N 0.68 2.24 0.03 4.42 1.43 -0.63 -1.91 118.68 124.93 1k85 s LEU 578 Ca -0.08 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1k85 s LEU 578 Cb -0.16 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1k85 s LEU 578 CO 0.02 0.23 -0.12 -0.94 0.23 0.00 0.00 176.35 175.77 1k85 s SER 579 N -1.55 1.37 0.26 2.29 1.04 -0.66 -1.83 113.70 114.62 1k85 s SER 579 Ca 0.13 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 1k85 s SER 579 Cb -0.10 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1k85 s SER 579 CO 0.04 0.02 0.56 -1.66 0.98 0.00 0.00 173.24 173.18 1k85 s TRP 580 N -0.74 0.18 -0.02 5.02 -2.14 -1.13 -0.91 118.94 119.19 1k85 s TRP 580 Ca 0.00 -0.58 -0.25 0.00 2.66 0.00 0.00 56.10 57.93 1k85 s TRP 580 Cb -0.07 0.37 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 1k85 s TRP 580 CO 0.01 -1.08 0.78 0.99 -2.66 0.00 0.00 176.95 174.99 1k85 s THR 581 N -3.96 4.92 1.31 0.66 2.01 -0.99 -4.88 115.64 114.70 1k85 s THR 581 Ca 0.19 1.64 -0.20 0.00 0.31 0.00 0.00 61.69 63.63 1k85 s THR 581 Cb -0.03 -4.13 0.33 0.00 0.01 0.00 0.00 72.50 68.68 1k85 s THR 581 CO 0.08 0.26 1.00 0.00 -0.69 0.00 0.00 174.62 175.28 1k85 s ALA 582 N 0.62 -0.28 0.43 7.40 0.00 -1.26 -3.37 121.76 125.30 1k85 s ALA 582 Ca 0.41 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1k85 s ALA 582 Cb -0.19 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1k85 s ALA 582 CO 0.22 -4.15 1.06 -1.54 0.00 0.00 0.00 175.76 171.35 1k85 s SER 583 N -3.27 6.57 0.03 0.00 1.04 -1.26 -4.69 113.70 112.13 1k85 s SER 583 Ca 0.69 2.04 0.26 0.00 0.48 0.00 0.00 55.95 59.42 1k85 s SER 583 Cb -0.14 -2.58 1.09 0.00 0.10 0.00 0.00 66.02 64.48 1k85 s SER 583 CO 0.58 -0.62 1.84 0.41 0.98 0.00 0.00 173.24 176.43 1k85 n THR 584 N -0.37 0.25 -0.05 2.02 -1.04 -1.26 -4.02 114.28 109.81 1k85 n THR 584 Ca 0.06 0.01 -0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1k85 n THR 584 Cb 0.50 -0.60 -0.01 0.00 -1.82 0.00 0.00 70.33 68.40 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k85 n ASP 585 N -1.62 1.25 -2.40 8.00 9.92 -1.26 -4.97 116.55 125.48 1k85 n ASP 585 Ca 0.06 0.48 -0.17 0.00 -0.53 0.00 0.00 54.79 54.63 1k85 n ASP 585 Cb 0.32 -0.74 -0.01 0.00 -0.64 0.00 0.00 41.12 40.05 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1k85 n ASN 586 N -3.87 -4.91 0.23 -2.24 5.15 -1.26 -4.84 115.26 103.53 1k85 n ASN 586 Ca -0.05 0.10 0.10 0.00 -0.60 0.00 0.00 54.58 54.12 1k85 n ASN 586 Cb 0.20 -4.13 0.55 0.00 -0.53 0.00 0.00 39.78 35.88 1k85 n ASN 586 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1k85 h VAL 587 N 0.00 0.64 0.00 3.44 3.04 -1.95 -3.38 116.25 118.04 1k85 h VAL 587 Ca -0.39 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.36 1k85 h VAL 587 Cb 1.29 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 1k85 h VAL 587 CO 0.47 0.20 0.00 0.61 -1.01 0.00 0.00 177.57 177.84 1k85 n GLY 588 N -0.22 0.83 3.67 3.17 0.00 -1.26 -5.10 105.19 106.28 1k85 n GLY 588 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N 0.00 3.21 -0.01 1.61 1.01 -1.26 -2.54 120.40 122.42 1k85 s VAL 589 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1k85 s VAL 589 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1k85 s VAL 589 CO 0.00 -0.02 0.00 1.07 0.00 0.00 0.00 175.10 176.15 1k85 n THR 590 N 5.27 0.03 -4.25 3.92 5.66 -1.15 -4.97 114.28 118.80 1k85 n THR 590 Ca 0.18 -0.02 -0.16 0.00 -3.05 0.00 0.00 64.05 61.00 1k85 n THR 590 Cb 0.41 -0.95 -0.09 0.00 -1.55 0.00 0.00 70.33 68.15 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k85 s GLY 591 N -3.04 1.91 0.15 1.09 0.00 -1.23 -4.62 107.32 101.59 1k85 s GLY 591 Ca -0.00 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 42.85 1k85 s GLY 591 CO 0.02 -1.45 -0.03 -0.19 0.00 0.00 0.00 173.10 171.46 1k85 s TYR 592 N -3.78 1.14 -0.11 1.90 1.51 -0.33 -2.23 117.35 115.45 1k85 s TYR 592 Ca 0.40 -0.96 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1k85 s TYR 592 Cb 0.05 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1k85 s TYR 592 CO 0.20 -0.15 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.94 1k85 s ASP 593 N -3.14 2.04 -0.00 2.29 1.01 -0.64 -2.39 116.67 115.84 1k85 s ASP 593 Ca 0.20 -0.27 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 1k85 s ASP 593 Cb 0.05 -0.68 -0.04 0.00 1.01 0.00 0.00 42.92 43.27 1k85 s ASP 593 CO 0.01 -0.16 0.20 0.54 0.21 0.00 0.00 175.17 175.97 1k85 s VAL 594 N 1.81 5.42 0.34 -1.27 0.11 -1.13 -0.31 120.40 125.37 1k85 s VAL 594 Ca 0.04 -0.14 0.10 0.00 -2.93 0.00 0.00 61.98 59.05 1k85 s VAL 594 Cb -0.13 -3.55 -0.06 0.00 -1.53 0.00 0.00 36.38 31.11 1k85 s VAL 594 CO -0.07 0.31 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.60 1k85 s TYR 595 N -1.34 2.38 -0.37 1.54 1.51 0.83 -1.62 117.35 120.30 1k85 s TYR 595 Ca 0.28 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1k85 s TYR 595 Cb -0.13 -1.35 0.15 0.00 -0.11 0.00 0.00 41.96 40.52 1k85 s TYR 595 CO 0.19 0.58 0.25 1.21 -1.11 0.00 0.00 175.55 176.67 1k85 s ASN 596 N -3.60 2.52 -0.43 2.29 3.84 0.14 -2.40 114.94 117.29 1k85 s ASN 596 Ca 0.32 -2.37 -0.01 0.00 0.21 0.00 0.00 52.86 51.01 1k85 s ASN 596 Cb 0.02 -0.36 0.00 0.00 -0.55 0.00 0.00 41.25 40.36 1k85 s ASN 596 CO 0.16 -0.27 0.42 0.61 -2.79 0.00 0.00 177.10 175.23 1k85 n GLY 597 N 3.76 -0.91 4.12 1.21 0.00 -0.60 -3.65 105.19 109.13 1k85 n GLY 597 Ca 0.16 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N -1.33 -1.09 -3.15 2.61 -2.24 -1.26 -4.91 114.28 102.91 1k85 n THR 598 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1k85 n THR 598 Cb 0.47 -1.78 -0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N -3.24 -2.41 0.21 6.98 0.00 -1.24 -5.14 121.76 116.93 1k85 s ALA 599 Ca 0.72 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 1k85 s ALA 599 Cb -0.39 -2.47 -0.15 0.00 0.00 0.00 0.00 23.12 20.11 1k85 s ALA 599 CO 0.88 -1.73 1.12 -0.11 0.00 0.00 0.00 175.76 175.92 1k85 n LEU 600 N 5.42 1.67 0.00 0.00 0.00 -1.26 -0.69 117.00 122.14 1k85 n LEU 600 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.20 1k85 n LEU 600 Cb 0.53 -1.25 0.00 0.00 0.00 0.00 0.00 43.42 42.71 1k85 n LEU 600 CO -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 177.39 176.04 1k85 n ALA 601 N 1.10 0.10 -1.96 1.96 0.00 -0.64 -4.76 120.51 116.31 1k85 n ALA 601 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1k85 n ALA 601 Cb 0.27 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.78 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.84 2.49 -0.01 0.00 -1.32 -1.26 -4.98 115.64 111.40 1k85 s THR 602 Ca 0.00 -0.53 0.01 0.00 -1.21 0.00 0.00 61.69 59.96 1k85 s THR 602 Cb 0.00 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 1k85 s THR 602 CO 0.00 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.48 1k85 s THR 603 N -2.95 0.34 0.25 5.08 2.01 -1.26 -2.82 115.64 116.29 1k85 s THR 603 Ca 0.59 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1k85 s THR 603 Cb -0.10 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1k85 s THR 603 CO 0.41 0.12 0.11 1.33 -0.69 0.00 0.00 174.62 175.90 1k85 n VAL 604 N 3.27 0.00 -0.16 3.82 0.24 -1.01 -4.95 118.33 119.55 1k85 n VAL 604 Ca -0.16 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 60.61 1k85 n VAL 604 Cb 0.56 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1k85 n VAL 604 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k85 n THR 605 N -0.56 0.00 -1.25 3.34 -2.24 -1.26 -1.19 114.28 111.12 1k85 n THR 605 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1k85 n THR 605 Cb 0.39 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1k85 n THR 605 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 606 N 0.32 4.10 1.03 3.38 0.00 -1.26 -4.39 105.19 108.37 1k85 n GLY 606 Ca 0.00 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1k85 n GLY 606 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 607 N 0.00 0.20 -4.24 2.61 -2.24 -1.26 -4.71 114.28 104.65 1k85 n THR 607 Ca 0.00 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 1k85 n THR 607 Cb 0.00 1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 69.45 1k85 n THR 607 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k85 s THR 608 N -1.79 2.72 -0.16 4.28 -4.23 -1.26 -2.86 115.64 112.35 1k85 s THR 608 Ca 0.32 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 1k85 s THR 608 Cb 0.21 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 71.21 1k85 s THR 608 CO 0.31 -0.17 0.40 0.00 -0.54 0.00 0.00 174.62 174.61 1k85 s ALA 609 N -2.50 -0.99 -0.15 3.99 0.00 -0.76 -4.71 121.76 116.63 1k85 s ALA 609 Ca 0.36 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1k85 s ALA 609 Cb -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1k85 s ALA 609 CO 0.21 -0.23 -0.19 0.99 0.00 0.00 0.00 175.76 176.54 1k85 s THR 610 N 0.90 1.86 -0.15 0.00 2.01 -1.25 -1.61 115.64 117.40 1k85 s THR 610 Ca -0.06 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 1k85 s THR 610 Cb -0.06 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1k85 s THR 610 CO -0.07 0.51 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.64 1k85 s ILE 611 N 1.10 3.27 0.18 1.82 1.09 -1.01 -4.75 121.20 122.90 1k85 s ILE 611 Ca -0.01 -0.58 0.06 0.00 -1.10 0.00 0.00 60.65 59.02 1k85 s ILE 611 Cb -0.14 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 1k85 s ILE 611 CO -0.07 0.51 0.08 -0.55 -0.10 0.00 0.00 174.94 174.81 1k85 s SER 612 N 0.50 5.19 -0.08 3.58 0.15 -1.26 -2.55 113.70 119.22 1k85 s SER 612 Ca -0.07 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.31 1k85 s SER 612 Cb -0.15 -1.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1k85 s SER 612 CO 0.04 0.06 0.07 0.61 1.20 0.00 0.00 173.24 175.23 1k85 n GLY 613 N -0.35 0.68 3.55 9.45 0.00 -1.24 -5.02 105.19 112.27 1k85 n GLY 613 Ca -0.09 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1k85 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k85 s LEU 614 N -3.02 2.92 -0.02 0.99 1.43 -1.18 -5.08 118.68 114.72 1k85 s LEU 614 Ca 0.03 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1k85 s LEU 614 Cb -0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1k85 s LEU 614 CO 0.06 0.10 0.10 0.00 0.23 0.00 0.00 176.35 176.84 1k85 s ALA 615 N -1.71 3.65 0.56 4.21 0.00 -1.26 -4.30 121.76 122.90 1k85 s ALA 615 Ca 0.25 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 1k85 s ALA 615 Cb -0.09 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1k85 s ALA 615 CO 0.15 0.69 0.85 0.00 0.00 0.00 0.00 175.76 177.45 1k85 s ALA 616 N -1.18 3.38 -1.56 0.00 0.00 -1.26 -4.22 121.76 116.92 1k85 s ALA 616 Ca 0.22 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1k85 s ALA 616 Cb -0.12 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.47 1k85 s ALA 616 CO 0.13 -0.69 0.62 -0.25 0.00 0.00 0.00 175.76 175.57 1k85 n ASP 617 N -2.47 -6.11 -4.10 0.00 8.00 -1.26 -4.99 116.55 105.62 1k85 n ASP 617 Ca 0.04 -0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.14 1k85 n ASP 617 Cb 0.57 -4.94 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 1k85 n ASP 617 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1k85 s THR 618 N -3.18 0.42 -0.06 -3.53 -4.23 -1.26 -5.00 115.64 98.80 1k85 s THR 618 Ca 0.31 -1.61 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 1k85 s THR 618 Cb -0.14 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 1k85 s THR 618 CO 0.39 -0.78 0.34 -0.55 -0.54 0.00 0.00 174.62 173.47 1k85 s SER 619 N -2.54 6.65 -0.01 3.99 0.15 -1.26 -2.43 113.70 118.25 1k85 s SER 619 Ca 0.03 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1k85 s SER 619 Cb 0.02 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1k85 s SER 619 CO -0.05 0.28 0.01 -0.31 1.20 0.00 0.00 173.24 174.37 1k85 s TYR 620 N -0.68 0.09 -0.16 3.44 2.02 -0.95 -5.03 117.35 116.08 1k85 s TYR 620 Ca 0.21 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1k85 s TYR 620 Cb -0.15 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.23 1k85 s TYR 620 CO 0.10 -0.05 -0.11 0.95 -1.57 0.00 0.00 175.55 174.86 1k85 s THR 621 N 0.55 3.02 0.19 -0.71 -4.23 -1.26 -1.86 115.64 111.33 1k85 s THR 621 Ca -0.05 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 1k85 s THR 621 Cb -0.07 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1k85 s THR 621 CO -0.01 0.50 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.14 1k85 s PHE 622 N 0.82 2.69 -0.24 3.99 0.08 -0.76 -1.55 117.98 123.00 1k85 s PHE 622 Ca -0.04 -0.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.72 1k85 s PHE 622 Cb -0.15 -1.29 0.10 0.00 -0.57 0.00 0.00 43.02 41.10 1k85 s PHE 622 CO 0.01 0.53 0.52 0.95 -0.10 0.00 0.00 175.22 177.13 1k85 s THR 623 N -1.79 -0.60 0.21 0.64 -4.23 -1.01 -2.45 115.64 106.42 1k85 s THR 623 Ca 0.26 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1k85 s THR 623 Cb -0.09 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1k85 s THR 623 CO 0.16 0.04 0.35 0.68 -0.54 0.00 0.00 174.62 175.31 1k85 s VAL 624 N 2.42 5.27 0.14 2.29 -7.23 -1.26 -0.12 120.40 121.91 1k85 s VAL 624 Ca -0.05 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 1k85 s VAL 624 Cb -0.11 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1k85 s VAL 624 CO -0.16 -0.24 0.00 -0.54 -0.31 0.00 0.00 175.10 173.85 1k85 s LYS 625 N -3.66 0.97 -0.12 4.82 1.02 0.58 -1.05 119.74 122.30 1k85 s LYS 625 Ca 0.35 -1.45 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 1k85 s LYS 625 Cb -0.10 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1k85 s LYS 625 CO 0.29 -0.15 -0.08 0.00 -0.92 0.00 0.00 175.35 174.50 1k85 s ALA 626 N -3.78 2.88 0.03 5.17 0.00 -1.26 -1.62 121.76 123.18 1k85 s ALA 626 Ca 0.20 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1k85 s ALA 626 Cb 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1k85 s ALA 626 CO 0.01 0.35 -0.18 -1.59 0.00 0.00 0.00 175.76 174.35 1k85 s LYS 627 N -0.06 1.29 0.19 0.00 -2.85 -0.95 -1.66 119.74 115.71 1k85 s LYS 627 Ca -0.00 -0.82 0.06 0.00 -1.00 0.00 0.00 55.97 54.21 1k85 s LYS 627 Cb -0.13 -1.34 -0.04 0.00 -2.06 0.00 0.00 37.83 34.26 1k85 s LYS 627 CO 0.03 0.35 0.10 0.16 0.10 0.00 0.00 175.35 176.09 1k85 s ASP 628 N -0.97 5.27 -1.52 0.03 -4.77 -0.95 -2.93 116.67 110.82 1k85 s ASP 628 Ca 0.06 -0.26 -0.10 0.00 -3.30 0.00 0.00 52.55 48.95 1k85 s ASP 628 Cb -0.08 -1.29 -0.01 0.00 -1.09 0.00 0.00 42.92 40.46 1k85 s ASP 628 CO 0.01 0.05 2.64 0.00 0.70 0.00 0.00 175.17 178.57 1k85 n ALA 629 N -0.50 6.89 0.00 2.11 0.00 -1.05 -3.54 120.51 124.41 1k85 n ALA 629 Ca -0.08 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1k85 n ALA 629 Cb 0.56 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1k85 n ALA 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 n ALA 630 N 3.76 0.20 0.00 0.00 0.00 -1.26 -5.06 120.51 118.15 1k85 n ALA 630 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1k85 n ALA 630 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N -1.11 0.30 3.01 0.00 0.00 -1.23 -5.17 105.19 100.99 1k85 n GLY 631 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -0.35 0.11 0.02 1.61 0.01 -1.26 -5.04 114.94 110.04 1k85 s ASN 632 Ca 0.00 -0.28 0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1k85 s ASN 632 Cb 0.00 0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.79 1k85 s ASN 632 CO 0.00 -0.27 -0.05 0.54 -1.51 0.00 0.00 177.10 175.82 1k85 s VAL 633 N -1.13 0.33 0.00 1.60 0.11 -1.26 -2.24 120.40 117.81 1k85 s VAL 633 Ca -0.12 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1k85 s VAL 633 Cb -0.07 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 1k85 s VAL 633 CO 0.00 -0.17 0.00 -1.54 -3.33 0.00 0.00 175.10 170.06 1k85 n SER 634 N 2.25 0.00 -4.56 3.54 3.41 -0.67 -4.58 113.62 113.02 1k85 n SER 634 Ca -0.18 -0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 57.71 1k85 n SER 634 Cb 0.57 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.64 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k85 s ALA 635 N -3.26 3.34 0.20 7.33 0.00 -1.26 -4.78 121.76 123.33 1k85 s ALA 635 Ca 0.00 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.14 1k85 s ALA 635 Cb 0.00 -2.21 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 1k85 s ALA 635 CO 0.00 -1.68 0.79 0.00 0.00 0.00 0.00 175.76 174.87 1k85 s ALA 636 N -3.32 3.41 1.14 0.00 0.00 -1.26 -4.36 121.76 117.37 1k85 s ALA 636 Ca 0.68 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1k85 s ALA 636 Cb -0.05 -2.97 0.22 0.00 0.00 0.00 0.00 23.12 20.32 1k85 s ALA 636 CO 0.46 0.28 0.87 -1.13 0.00 0.00 0.00 175.76 176.24 1k85 n SER 637 N 1.26 -1.37 -4.75 0.00 3.41 -0.21 -4.85 113.62 107.12 1k85 n SER 637 Ca -0.04 -1.09 -0.39 0.00 -0.26 0.00 0.00 58.87 57.09 1k85 n SER 637 Cb 0.49 -0.76 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1k85 n SER 637 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1k85 n ASN 638 N -4.23 2.96 -4.61 4.04 2.85 -1.26 -4.76 115.26 110.25 1k85 n ASN 638 Ca 0.12 1.06 -0.43 0.00 -0.11 0.00 0.00 54.58 55.22 1k85 n ASN 638 Cb 0.44 -1.58 -0.02 0.00 1.24 0.00 0.00 39.78 39.86 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k85 s ALA 639 N -1.23 3.27 -0.14 5.20 0.00 -1.26 -4.69 121.76 122.90 1k85 s ALA 639 Ca 0.65 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 1k85 s ALA 639 Cb -0.44 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 1k85 s ALA 639 CO 0.54 -1.99 0.14 0.08 0.00 0.00 0.00 175.76 174.53 1k85 s VAL 640 N 4.19 5.48 -0.29 0.00 1.01 -1.03 -4.99 120.40 124.78 1k85 s VAL 640 Ca 0.47 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 1k85 s VAL 640 Cb -0.09 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 32.93 1k85 s VAL 640 CO 0.26 0.57 -0.04 -0.44 0.00 0.00 0.00 175.10 175.45 1k85 s SER 641 N -0.63 4.74 0.11 3.32 0.01 -1.26 -1.83 113.70 118.16 1k85 s SER 641 Ca 0.13 -1.32 0.08 0.00 1.31 0.00 0.00 55.95 56.15 1k85 s SER 641 Cb -0.12 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1k85 s SER 641 CO 0.02 -0.24 -0.16 0.54 0.41 0.00 0.00 173.24 173.82 1k85 s VAL 642 N 1.20 2.98 -0.13 3.43 0.11 -0.78 -5.01 120.40 122.19 1k85 s VAL 642 Ca -0.06 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1k85 s VAL 642 Cb -0.20 -2.37 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 1k85 s VAL 642 CO -0.02 0.12 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.97 1k85 s LYS 643 N -2.12 3.33 0.00 1.54 2.20 -1.26 -2.24 119.74 121.19 1k85 s LYS 643 Ca 0.19 -0.71 0.29 0.00 -0.36 0.00 0.00 55.97 55.38 1k85 s LYS 643 Cb -0.11 -2.61 1.28 0.00 -1.51 0.00 0.00 37.83 34.87 1k85 s LYS 643 CO 0.11 0.17 1.87 0.25 -0.36 0.00 0.00 175.35 177.39