#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 0.00 -2.03 -0.41 0.00 -1.26 -5.06 117.12 108.36 1k85 n MET 558 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1k85 n MET 558 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 33.22 32.97 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 -2.00 3.57 0.97 3.04 0.00 -1.26 -4.72 121.76 121.36 1k85 s ALA 559 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1k85 s ALA 559 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1k85 s ALA 559 CO 0.00 -0.73 0.00 -0.35 0.00 0.00 0.00 175.76 174.68 1k85 n PRO 560 N 1.55 2.88 -3.92 0.00 -0.04 -1.26 -4.98 135.00 129.23 1k85 n PRO 560 Ca 0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.15 1k85 n PRO 560 Cb 0.41 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.00 3.07 0.18 0.52 2.01 -1.26 -4.77 115.64 115.40 1k85 s THR 561 Ca 0.00 -1.01 -0.32 0.00 0.31 0.00 0.00 61.69 60.67 1k85 s THR 561 Cb 0.00 -2.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.80 1k85 s THR 561 CO 0.00 0.14 1.74 0.00 -0.69 0.00 0.00 174.62 175.81 1k85 s ALA 562 N 1.35 3.89 0.63 7.40 0.00 -1.26 -4.56 121.76 129.20 1k85 s ALA 562 Ca -0.00 1.54 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 1k85 s ALA 562 Cb -0.17 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 1k85 s ALA 562 CO -0.03 -0.98 0.38 -2.30 0.00 0.00 0.00 175.76 172.83 1k85 n PRO 563 N 4.38 0.35 -3.97 0.00 -0.02 -1.26 -4.96 135.00 129.51 1k85 n PRO 563 Ca 0.16 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.70 1k85 n PRO 563 Cb 0.36 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 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 -1.84 0.15 -1.29 3.45 -1.32 -1.25 -4.41 115.64 109.13 1k85 s THR 564 Ca 0.65 -1.27 -0.04 0.00 -1.21 0.00 0.00 61.69 59.81 1k85 s THR 564 Cb -0.41 -1.02 0.01 0.00 -1.51 0.00 0.00 72.50 69.57 1k85 s THR 564 CO 0.58 -0.70 1.05 0.59 -2.21 0.00 0.00 174.62 173.93 1k85 n ASN 565 N 0.62 -3.83 -4.74 8.08 5.03 -1.26 -2.79 115.26 116.37 1k85 n ASN 565 Ca -0.18 -0.62 -0.33 0.00 0.87 0.00 0.00 54.58 54.33 1k85 n ASN 565 Cb 0.59 -4.93 0.09 0.00 -1.02 0.00 0.00 39.78 34.51 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 -6.81 3.21 0.23 3.41 2.96 -1.26 -4.45 118.68 115.96 1k85 s LEU 566 Ca 0.27 2.07 -0.23 0.00 -0.22 0.00 0.00 54.13 56.02 1k85 s LEU 566 Cb -0.12 -4.56 0.04 0.00 0.50 0.00 0.00 46.19 42.05 1k85 s LEU 566 CO 0.74 -2.09 0.78 0.00 -1.32 0.00 0.00 176.35 174.47 1k85 s ALA 567 N -2.43 -1.39 0.03 5.97 0.00 -0.66 -5.00 121.76 118.27 1k85 s ALA 567 Ca 0.67 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.62 1k85 s ALA 567 Cb -0.22 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 1k85 s ALA 567 CO 0.48 -1.01 -0.21 -1.54 0.00 0.00 0.00 175.76 173.48 1k85 s SER 568 N -2.90 2.54 0.00 0.00 1.04 -1.26 -2.02 113.70 111.10 1k85 s SER 568 Ca 0.10 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1k85 s SER 568 Cb -0.04 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1k85 s SER 568 CO 0.04 0.19 0.00 0.35 0.98 0.00 0.00 173.24 174.79 1k85 n THR 569 N 1.97 0.00 -2.62 2.02 -2.24 -1.06 -4.98 114.28 107.37 1k85 n THR 569 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1k85 n THR 569 Cb 0.53 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.00 2.83 -0.34 6.98 0.00 -1.26 -4.94 121.76 123.04 1k85 s ALA 570 Ca 0.00 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.41 1k85 s ALA 570 Cb 0.00 -4.20 0.09 0.00 0.00 0.00 0.00 23.12 19.01 1k85 s ALA 570 CO 0.00 -3.21 0.05 -0.65 0.00 0.00 0.00 175.76 171.95 1k85 s GLN 571 N 5.28 1.78 0.00 0.00 1.11 -1.26 -0.44 119.66 126.12 1k85 s GLN 571 Ca 0.33 -1.74 0.00 0.00 0.01 0.00 0.00 55.36 53.97 1k85 s GLN 571 Cb -0.09 -3.23 0.00 0.00 -1.01 0.00 0.00 33.01 28.68 1k85 s GLN 571 CO 0.11 -0.88 0.00 0.25 0.01 0.00 0.00 175.29 174.78 1k85 n THR 572 N 4.37 0.00 -0.03 -0.19 -2.24 -0.10 -4.99 114.28 111.10 1k85 n THR 572 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1k85 n THR 572 Cb 0.42 -0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.00 0.35 -0.03 4.28 -2.24 -1.26 -4.52 114.28 110.86 1k85 n THR 573 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1k85 n THR 573 Cb 0.00 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.36 0.21 -4.16 3.42 3.41 -1.26 -3.97 113.62 108.91 1k85 n SER 574 Ca -0.11 -0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 57.82 1k85 n SER 574 Cb 0.70 0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 65.23 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 -0.68 0.45 -0.14 4.04 1.04 -1.26 -2.47 113.70 114.68 1k85 s SER 575 Ca 0.00 -1.20 -0.23 0.00 0.48 0.00 0.00 55.95 55.00 1k85 s SER 575 Cb 0.00 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1k85 s SER 575 CO 0.00 -0.70 0.57 -0.51 0.98 0.00 0.00 173.24 173.58 1k85 s ILE 576 N -3.99 0.01 -0.12 -1.02 2.07 -1.00 -0.92 121.20 116.24 1k85 s ILE 576 Ca 0.24 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1k85 s ILE 576 Cb 0.07 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1k85 s ILE 576 CO 0.02 -0.04 -0.22 -0.89 -1.91 0.00 0.00 174.94 171.90 1k85 s THR 577 N -0.39 1.98 -0.05 4.00 2.01 0.41 -2.34 115.64 121.26 1k85 s THR 577 Ca -0.05 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.06 1k85 s THR 577 Cb -0.03 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1k85 s THR 577 CO 0.04 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.50 1k85 s LEU 578 N 0.60 2.09 -0.02 4.42 1.43 -0.87 -2.56 118.68 123.77 1k85 s LEU 578 Ca -0.13 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1k85 s LEU 578 Cb -0.17 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1k85 s LEU 578 CO 0.03 0.26 -0.18 -0.55 0.23 0.00 0.00 176.35 176.15 1k85 s SER 579 N -0.25 2.09 0.24 2.29 0.15 -0.86 -1.94 113.70 115.43 1k85 s SER 579 Ca -0.01 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 1k85 s SER 579 Cb -0.13 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1k85 s SER 579 CO 0.03 0.21 0.44 -1.66 1.20 0.00 0.00 173.24 173.45 1k85 s TRP 580 N -0.32 0.43 0.03 3.44 -2.14 -1.13 -1.66 118.94 117.59 1k85 s TRP 580 Ca 0.05 -0.78 -0.30 0.00 2.66 0.00 0.00 56.10 57.73 1k85 s TRP 580 Cb -0.08 0.11 -0.04 0.00 -3.10 0.00 0.00 33.47 30.37 1k85 s TRP 580 CO -0.00 -0.95 0.98 0.99 -2.66 0.00 0.00 176.95 175.31 1k85 s THR 581 N -4.03 4.76 1.31 0.66 2.01 -1.12 -4.88 115.64 114.35 1k85 s THR 581 Ca 0.24 2.06 -0.21 0.00 0.31 0.00 0.00 61.69 64.08 1k85 s THR 581 Cb 0.00 -4.32 0.33 0.00 0.01 0.00 0.00 72.50 68.52 1k85 s THR 581 CO 0.09 0.20 1.03 0.00 -0.69 0.00 0.00 174.62 175.25 1k85 s ALA 582 N 0.72 0.02 0.72 7.40 0.00 -1.26 -3.92 121.76 125.44 1k85 s ALA 582 Ca 0.51 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1k85 s ALA 582 Cb -0.22 -2.89 0.06 0.00 0.00 0.00 0.00 23.12 20.07 1k85 s ALA 582 CO 0.29 -4.07 1.04 -1.54 0.00 0.00 0.00 175.76 171.47 1k85 s SER 583 N -3.61 4.79 -0.01 0.00 1.04 -1.26 -4.82 113.70 109.83 1k85 s SER 583 Ca 0.70 0.51 0.22 0.00 0.48 0.00 0.00 55.95 57.86 1k85 s SER 583 Cb -0.11 -1.14 -0.25 0.00 0.10 0.00 0.00 66.02 64.62 1k85 s SER 583 CO 0.57 -1.63 0.71 0.35 0.98 0.00 0.00 173.24 174.22 1k85 n THR 584 N -2.97 0.03 -2.97 2.02 -2.24 -1.26 -4.51 114.28 102.37 1k85 n THR 584 Ca 0.08 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1k85 n THR 584 Cb 0.60 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k85 n ASP 585 N -1.94 4.69 0.00 3.42 9.92 -1.26 -4.82 116.55 126.55 1k85 n ASP 585 Ca -0.00 -3.66 0.09 0.00 -0.53 0.00 0.00 54.79 50.69 1k85 n ASP 585 Cb 0.46 -0.63 0.56 0.00 -0.64 0.00 0.00 41.12 40.86 1k85 n ASP 585 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1k85 n ASN 586 N -0.09 0.00 0.08 -2.24 3.02 -1.26 -3.25 115.26 111.52 1k85 n ASN 586 Ca 0.32 -0.80 0.08 0.00 -0.03 0.00 0.00 54.58 54.15 1k85 n ASN 586 Cb 0.38 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.90 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1k85 n VAL 587 N -0.92 1.22 0.00 2.41 0.24 -1.26 -3.20 118.33 116.82 1k85 n VAL 587 Ca 0.14 0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.88 1k85 n VAL 587 Cb 0.06 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k85 n GLY 588 N -0.73 0.11 3.78 7.63 0.00 -1.20 -5.08 105.19 109.69 1k85 n GLY 588 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.57 3.48 -0.03 1.61 1.01 -1.19 -2.77 120.40 121.94 1k85 s VAL 589 Ca 0.00 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1k85 s VAL 589 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1k85 s VAL 589 CO 0.00 -0.07 -0.04 0.35 0.00 0.00 0.00 175.10 175.34 1k85 n THR 590 N -0.55 0.16 -4.03 3.92 -2.24 -1.04 -4.90 114.28 105.60 1k85 n THR 590 Ca 0.07 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1k85 n THR 590 Cb 0.50 -1.51 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k85 s GLY 591 N -5.03 0.80 -0.08 3.38 0.00 -1.24 -4.74 107.32 100.41 1k85 s GLY 591 Ca -0.04 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1k85 s GLY 591 CO 0.05 -0.77 -0.22 -0.19 0.00 0.00 0.00 173.10 171.97 1k85 s TYR 592 N -3.81 2.55 -0.22 1.90 1.51 0.20 -2.61 117.35 116.87 1k85 s TYR 592 Ca 0.25 -0.76 -0.04 0.00 -1.01 0.00 0.00 57.07 55.52 1k85 s TYR 592 Cb 0.00 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1k85 s TYR 592 CO 0.11 -0.24 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.77 1k85 s ASP 593 N 0.01 4.38 -0.12 2.29 1.11 -0.08 -1.55 116.67 122.70 1k85 s ASP 593 Ca -0.08 -0.37 -0.08 0.00 0.18 0.00 0.00 52.55 52.21 1k85 s ASP 593 Cb -0.15 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.04 1k85 s ASP 593 CO 0.05 -0.01 0.16 0.54 1.18 0.00 0.00 175.17 177.09 1k85 s VAL 594 N 1.44 5.45 0.15 -1.27 0.11 -1.12 -1.07 120.40 124.09 1k85 s VAL 594 Ca 0.05 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1k85 s VAL 594 Cb -0.14 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1k85 s VAL 594 CO -0.02 0.59 0.28 -0.31 -3.33 0.00 0.00 175.10 172.31 1k85 s TYR 595 N -0.80 3.49 -0.52 1.54 1.51 0.29 -1.34 117.35 121.51 1k85 s TYR 595 Ca 0.15 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1k85 s TYR 595 Cb -0.12 -1.67 0.15 0.00 -0.11 0.00 0.00 41.96 40.21 1k85 s TYR 595 CO 0.04 0.52 0.34 1.21 -1.11 0.00 0.00 175.55 176.55 1k85 s ASN 596 N -3.23 3.58 0.00 2.29 2.47 -0.23 -2.92 114.94 116.91 1k85 s ASN 596 Ca 0.35 -3.15 0.00 0.00 0.42 0.00 0.00 52.86 50.48 1k85 s ASN 596 Cb -0.11 -1.14 0.00 0.00 -1.45 0.00 0.00 41.25 38.55 1k85 s ASN 596 CO 0.28 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 1k85 n GLY 597 N 2.85 1.90 0.00 1.21 0.00 -0.93 -3.95 105.19 106.28 1k85 n GLY 597 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.00 -4.48 2.61 -2.24 -1.26 -5.05 114.28 103.87 1k85 n THR 598 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1k85 n THR 598 Cb 0.00 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.00 2.55 -0.23 6.98 0.00 -1.25 -5.11 121.76 124.69 1k85 s ALA 599 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.86 1k85 s ALA 599 Cb 0.00 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1k85 s ALA 599 CO 0.00 -0.30 1.04 -1.17 0.00 0.00 0.00 175.76 175.33 1k85 s LEU 600 N -3.53 4.09 0.00 0.00 1.98 -1.26 -1.07 118.68 118.89 1k85 s LEU 600 Ca 0.33 1.36 0.00 0.00 -2.89 0.00 0.00 54.13 52.93 1k85 s LEU 600 Cb 0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.38 1k85 s LEU 600 CO 0.15 -0.68 0.00 0.00 -1.89 0.00 0.00 176.35 173.93 1k85 n ALA 601 N 6.35 0.00 -2.34 5.97 0.00 -0.45 -4.84 120.51 125.20 1k85 n ALA 601 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 1k85 n ALA 601 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 0.82 4.44 -0.08 0.00 -1.32 -1.24 -4.98 115.64 113.29 1k85 s THR 602 Ca 0.00 -0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.30 1k85 s THR 602 Cb 0.00 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.33 1k85 s THR 602 CO 0.00 -0.56 -0.13 -0.89 -2.21 0.00 0.00 174.62 170.83 1k85 s THR 603 N -2.64 1.24 0.25 5.08 2.01 -1.26 -2.78 115.64 117.54 1k85 s THR 603 Ca 0.47 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1k85 s THR 603 Cb -0.10 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1k85 s THR 603 CO 0.41 0.38 0.13 1.33 -0.69 0.00 0.00 174.62 176.18 1k85 n VAL 604 N 3.91 0.00 -0.02 3.82 0.24 -0.60 -4.99 118.33 120.69 1k85 n VAL 604 Ca -0.21 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 1k85 n VAL 604 Cb 0.52 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.53 0.00 0.00 3.34 -2.24 -1.26 -0.63 114.28 112.96 1k85 n THR 605 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k85 n THR 605 Cb 0.40 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.00 0.61 0.00 3.38 0.00 -1.26 -4.62 105.19 103.30 1k85 n GLY 606 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.15 2.61 -2.24 -1.26 -4.84 114.28 104.40 1k85 n THR 607 Ca 0.00 -0.30 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 1k85 n THR 607 Cb 0.00 1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.26 2.42 -0.23 4.28 -4.23 -1.26 -2.83 115.64 113.53 1k85 s THR 608 Ca 0.00 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1k85 s THR 608 Cb 0.00 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1k85 s THR 608 CO 0.00 -0.04 0.48 0.00 -0.54 0.00 0.00 174.62 174.52 1k85 s ALA 609 N -2.57 -1.40 -0.24 3.99 0.00 -0.82 -4.72 121.76 115.99 1k85 s ALA 609 Ca 0.40 1.70 -0.07 0.00 0.00 0.00 0.00 51.96 54.00 1k85 s ALA 609 Cb 0.03 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1k85 s ALA 609 CO 0.22 -0.83 0.05 0.99 0.00 0.00 0.00 175.76 176.19 1k85 s THR 610 N 2.69 4.12 -0.14 0.00 2.01 -1.26 -2.05 115.64 121.00 1k85 s THR 610 Ca -0.02 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1k85 s THR 610 Cb -0.12 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1k85 s THR 610 CO -0.15 0.36 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.47 1k85 s ILE 611 N 1.56 3.84 0.44 1.82 1.09 -0.99 -4.86 121.20 124.11 1k85 s ILE 611 Ca 0.06 -0.38 0.07 0.00 -1.10 0.00 0.00 60.65 59.29 1k85 s ILE 611 Cb -0.15 -2.67 -0.03 0.00 -1.06 0.00 0.00 42.46 38.56 1k85 s ILE 611 CO 0.02 0.51 0.26 -0.94 -0.10 0.00 0.00 174.94 174.68 1k85 s SER 612 N 0.23 4.58 -0.37 3.58 1.04 -1.26 -2.37 113.70 119.12 1k85 s SER 612 Ca -0.03 -1.07 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 1k85 s SER 612 Cb -0.14 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1k85 s SER 612 CO 0.03 -0.69 0.49 0.61 0.98 0.00 0.00 173.24 174.66 1k85 n GLY 613 N -1.41 -1.41 3.34 7.32 0.00 -1.03 -4.98 105.19 107.02 1k85 n GLY 613 Ca -0.01 1.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.85 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 -2.35 1.82 0.17 0.99 1.43 -1.25 -5.05 118.68 114.44 1k85 s LEU 614 Ca 0.21 -1.76 0.09 0.00 -1.03 0.00 0.00 54.13 51.63 1k85 s LEU 614 Cb -0.06 0.43 -0.04 0.00 0.03 0.00 0.00 46.19 46.55 1k85 s LEU 614 CO 0.67 -1.05 -0.18 0.00 0.23 0.00 0.00 176.35 176.02 1k85 s ALA 615 N -3.37 2.02 0.46 4.21 0.00 -1.25 -4.70 121.76 119.13 1k85 s ALA 615 Ca 0.37 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1k85 s ALA 615 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1k85 s ALA 615 CO 0.25 0.24 0.72 0.00 0.00 0.00 0.00 175.76 176.97 1k85 s ALA 616 N -2.05 3.54 -1.41 0.00 0.00 -1.26 -4.34 121.76 116.24 1k85 s ALA 616 Ca 0.16 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1k85 s ALA 616 Cb -0.06 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1k85 s ALA 616 CO 0.07 -0.36 0.97 -3.47 0.00 0.00 0.00 175.76 172.97 1k85 n ASP 617 N -2.16 -4.05 -3.86 0.00 2.03 -0.87 -4.97 116.55 102.67 1k85 n ASP 617 Ca 0.00 -0.72 -0.12 0.00 0.52 0.00 0.00 54.79 54.47 1k85 n ASP 617 Cb 0.56 -4.32 -0.14 0.00 -0.72 0.00 0.00 41.12 36.50 1k85 n ASP 617 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1k85 s THR 618 N -3.40 -0.01 -0.04 5.18 -4.23 -1.26 -4.96 115.64 106.92 1k85 s THR 618 Ca 0.43 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.72 1k85 s THR 618 Cb -0.20 -0.04 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 1k85 s THR 618 CO 0.79 0.01 0.72 -0.55 -0.54 0.00 0.00 174.62 175.05 1k85 s SER 619 N 0.11 7.05 -0.02 3.99 0.15 -1.26 -2.59 113.70 121.12 1k85 s SER 619 Ca -0.01 1.26 0.04 0.00 0.70 0.00 0.00 55.95 57.94 1k85 s SER 619 Cb -0.01 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1k85 s SER 619 CO -0.00 -0.08 -0.13 -0.31 1.20 0.00 0.00 173.24 173.91 1k85 s TYR 620 N 0.57 1.28 -0.23 3.44 2.02 -1.06 -4.98 117.35 118.39 1k85 s TYR 620 Ca 0.38 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1k85 s TYR 620 Cb -0.18 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1k85 s TYR 620 CO 0.20 -0.09 -0.02 0.95 -1.57 0.00 0.00 175.55 175.02 1k85 s THR 621 N -0.06 3.50 0.27 -0.71 -4.23 -1.26 -1.73 115.64 111.41 1k85 s THR 621 Ca 0.00 -0.49 0.10 0.00 -1.18 0.00 0.00 61.69 60.12 1k85 s THR 621 Cb -0.08 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1k85 s THR 621 CO 0.00 0.38 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.08 1k85 s PHE 622 N 1.49 2.66 -0.26 3.99 0.08 -0.97 -2.19 117.98 122.79 1k85 s PHE 622 Ca 0.05 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 1k85 s PHE 622 Cb -0.15 -1.18 0.07 0.00 -0.57 0.00 0.00 43.02 41.19 1k85 s PHE 622 CO -0.02 0.63 0.67 0.95 -0.10 0.00 0.00 175.22 177.34 1k85 s THR 623 N -2.32 -0.00 0.04 0.64 -4.23 -1.15 -2.22 115.64 106.40 1k85 s THR 623 Ca 0.31 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 1k85 s THR 623 Cb -0.06 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 1k85 s THR 623 CO 0.19 0.00 0.21 0.68 -0.54 0.00 0.00 174.62 175.16 1k85 s VAL 624 N 0.64 5.40 0.05 2.29 -7.23 -1.26 -0.54 120.40 119.75 1k85 s VAL 624 Ca -0.02 -0.33 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1k85 s VAL 624 Cb -0.05 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1k85 s VAL 624 CO -0.04 0.18 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.33 1k85 s LYS 625 N -2.37 0.57 -0.08 4.82 -0.14 -0.23 -1.13 119.74 121.18 1k85 s LYS 625 Ca 0.33 -0.90 0.01 0.00 -1.36 0.00 0.00 55.97 54.06 1k85 s LYS 625 Cb -0.13 -0.18 -0.03 0.00 -1.68 0.00 0.00 37.83 35.81 1k85 s LYS 625 CO 0.26 0.01 -0.11 0.00 -0.76 0.00 0.00 175.35 174.75 1k85 s ALA 626 N -2.07 2.79 -0.01 5.17 0.00 -1.26 -0.90 121.76 125.48 1k85 s ALA 626 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1k85 s ALA 626 Cb -0.05 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1k85 s ALA 626 CO -0.02 0.49 -0.10 -1.59 0.00 0.00 0.00 175.76 174.54 1k85 s LYS 627 N -0.50 0.80 0.42 0.00 0.00 -1.07 -2.49 119.74 116.88 1k85 s LYS 627 Ca 0.07 -0.36 0.08 0.00 0.00 0.00 0.00 55.97 55.76 1k85 s LYS 627 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 37.83 36.91 1k85 s LYS 627 CO 0.02 0.21 0.33 -0.51 0.00 0.00 0.00 175.35 175.39 1k85 s ASP 628 N -0.24 4.88 -0.01 0.03 1.11 -0.90 -2.49 116.67 119.05 1k85 s ASP 628 Ca 0.04 -0.84 0.08 0.00 0.18 0.00 0.00 52.55 52.01 1k85 s ASP 628 Cb -0.04 -0.54 0.26 0.00 1.07 0.00 0.00 42.92 43.67 1k85 s ASP 628 CO -0.00 -0.63 1.19 0.00 1.18 0.00 0.00 175.17 176.90 1k85 n ALA 629 N -1.47 2.52 0.47 5.23 0.00 -1.11 -3.43 120.51 122.71 1k85 n ALA 629 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.01 1k85 n ALA 629 Cb 0.63 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 0.32 3.51 -0.14 0.00 0.00 -1.26 -5.00 120.51 117.94 1k85 n ALA 630 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1k85 n ALA 630 Cb 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.45 0.93 2.87 0.00 0.00 -1.22 -5.12 105.19 104.09 1k85 n GLY 631 Ca 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.93 0.68 -0.07 1.61 -0.87 -1.26 -5.02 114.94 108.08 1k85 s ASN 632 Ca 0.00 -0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.24 1k85 s ASN 632 Cb 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 1k85 s ASN 632 CO 0.00 -0.07 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.60 1k85 s VAL 633 N 0.89 1.56 0.97 1.60 1.01 -1.26 -2.11 120.40 123.06 1k85 s VAL 633 Ca -0.11 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1k85 s VAL 633 Cb -0.14 -1.37 0.19 0.00 0.00 0.00 0.00 36.38 35.06 1k85 s VAL 633 CO -0.01 0.45 1.23 -0.55 0.00 0.00 0.00 175.10 176.22 1k85 s SER 634 N 0.41 2.98 1.05 3.32 0.15 -1.04 -4.85 113.70 115.73 1k85 s SER 634 Ca -0.14 0.55 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 1k85 s SER 634 Cb -0.16 -0.80 0.22 0.00 -1.71 0.00 0.00 66.02 63.57 1k85 s SER 634 CO 0.05 -2.84 1.07 0.00 1.20 0.00 0.00 173.24 172.72 1k85 s ALA 635 N -3.56 0.43 0.25 5.45 0.00 -1.26 -4.61 121.76 118.45 1k85 s ALA 635 Ca 0.70 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1k85 s ALA 635 Cb -0.08 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1k85 s ALA 635 CO 0.53 -3.22 0.95 0.00 0.00 0.00 0.00 175.76 174.02 1k85 s ALA 636 N -2.71 3.34 1.29 0.00 0.00 -1.26 -4.57 121.76 117.85 1k85 s ALA 636 Ca 0.67 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 1k85 s ALA 636 Cb -0.22 -3.22 0.31 0.00 0.00 0.00 0.00 23.12 20.00 1k85 s ALA 636 CO 0.61 0.18 1.01 0.45 0.00 0.00 0.00 175.76 178.00 1k85 n SER 637 N 1.43 -2.52 -4.74 0.00 2.88 -0.28 -4.96 113.62 105.43 1k85 n SER 637 Ca -0.02 -1.08 -0.34 0.00 -1.33 0.00 0.00 58.87 56.10 1k85 n SER 637 Cb 0.47 -0.97 0.07 0.00 -0.75 0.00 0.00 64.21 63.03 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1k85 s ASN 638 N -4.07 4.69 0.24 -3.46 3.04 -1.26 -4.69 114.94 109.42 1k85 s ASN 638 Ca 0.68 2.23 -0.25 0.00 0.04 0.00 0.00 52.86 55.56 1k85 s ASN 638 Cb -0.08 -2.58 -0.09 0.00 -1.54 0.00 0.00 41.25 36.97 1k85 s ASN 638 CO 0.53 -1.92 0.84 0.00 -3.04 0.00 0.00 177.10 173.51 1k85 s ALA 639 N -2.05 3.35 -0.17 1.71 0.00 -1.26 -4.57 121.76 118.77 1k85 s ALA 639 Ca 0.72 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 1k85 s ALA 639 Cb -0.26 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1k85 s ALA 639 CO 0.42 0.25 -0.04 0.14 0.00 0.00 0.00 175.76 176.53 1k85 s VAL 640 N -1.38 1.02 -0.20 0.00 -7.23 -0.94 -4.96 120.40 106.70 1k85 s VAL 640 Ca 0.43 -0.63 -0.19 0.00 -1.81 0.00 0.00 61.98 59.78 1k85 s VAL 640 Cb -0.21 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1k85 s VAL 640 CO 0.25 0.07 0.56 -0.55 -0.31 0.00 0.00 175.10 175.12 1k85 s SER 641 N 1.66 6.60 -0.15 4.85 0.15 -1.26 -2.28 113.70 123.28 1k85 s SER 641 Ca 0.00 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1k85 s SER 641 Cb -0.16 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1k85 s SER 641 CO -0.07 -0.23 -0.13 0.68 1.20 0.00 0.00 173.24 174.69 1k85 s VAL 642 N 1.80 1.48 -0.60 4.45 -7.23 -0.71 -4.97 120.40 114.64 1k85 s VAL 642 Ca 0.26 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 1k85 s VAL 642 Cb -0.16 -1.42 0.08 0.00 0.56 0.00 0.00 36.38 35.44 1k85 s VAL 642 CO 0.10 0.42 0.79 -0.54 -0.31 0.00 0.00 175.10 175.55 1k85 s LYS 643 N 1.52 3.10 0.00 4.82 -0.14 -1.26 -2.56 119.74 125.21 1k85 s LYS 643 Ca 0.04 -1.02 0.31 0.00 -1.36 0.00 0.00 55.97 53.94 1k85 s LYS 643 Cb -0.13 -4.21 1.78 0.00 -1.68 0.00 0.00 37.83 33.58 1k85 s LYS 643 CO -0.10 -1.57 2.15 0.25 -0.76 0.00 0.00 175.35 175.32