#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 3.12 -1.78 -1.40 0.00 -1.26 -5.10 117.12 110.70 1k85 n MET 558 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.32 1k85 n MET 558 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 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 2.81 1.00 -5.12 0.00 -1.26 -4.97 121.76 112.22 1k85 s ALA 559 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1k85 s ALA 559 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1k85 s ALA 559 CO 0.00 -1.39 0.00 -0.35 0.00 0.00 0.00 175.76 174.02 1k85 n PRO 560 N -1.06 1.05 -4.54 0.00 -0.04 -1.26 -4.92 135.00 124.23 1k85 n PRO 560 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1k85 n PRO 560 Cb 0.45 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.79 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 3.74 0.14 0.52 2.01 -1.26 -4.46 115.64 116.32 1k85 s THR 561 Ca 0.00 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 1k85 s THR 561 Cb 0.00 -2.58 -0.10 0.00 0.01 0.00 0.00 72.50 69.83 1k85 s THR 561 CO 0.00 0.55 1.58 0.00 -0.69 0.00 0.00 174.62 176.06 1k85 s ALA 562 N -0.19 3.75 0.18 7.40 0.00 -1.26 -4.65 121.76 127.00 1k85 s ALA 562 Ca 0.03 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 1k85 s ALA 562 Cb -0.13 -3.64 -0.16 0.00 0.00 0.00 0.00 23.12 19.19 1k85 s ALA 562 CO 0.03 -0.85 0.93 -2.30 0.00 0.00 0.00 175.76 173.57 1k85 n PRO 563 N 4.36 0.72 -4.40 0.00 -0.02 -1.26 -4.93 135.00 129.47 1k85 n PRO 563 Ca 0.14 0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1k85 n PRO 563 Cb 0.39 -1.58 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1k85 n PRO 563 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k85 s THR 564 N -0.58 2.40 -1.02 3.45 -4.23 -1.26 -4.26 115.64 110.14 1k85 s THR 564 Ca 0.70 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 1k85 s THR 564 Cb -0.90 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1k85 s THR 564 CO 0.56 0.11 0.83 0.59 -0.54 0.00 0.00 174.62 176.17 1k85 n ASN 565 N 0.93 -6.35 -4.73 3.99 4.13 -1.26 -3.45 115.26 108.52 1k85 n ASN 565 Ca -0.17 -0.72 -0.31 0.00 1.68 0.00 0.00 54.58 55.05 1k85 n ASN 565 Cb 0.53 -4.50 0.12 0.00 -1.54 0.00 0.00 39.78 34.39 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1k85 s LEU 566 N -5.51 3.01 0.34 3.41 2.96 -1.26 -4.39 118.68 117.24 1k85 s LEU 566 Ca 0.38 2.02 -0.17 0.00 -0.22 0.00 0.00 54.13 56.13 1k85 s LEU 566 Cb -0.08 -4.55 0.05 0.00 0.50 0.00 0.00 46.19 42.11 1k85 s LEU 566 CO 0.79 -2.43 0.81 0.00 -1.32 0.00 0.00 176.35 174.20 1k85 s ALA 567 N -2.70 -0.93 0.06 5.97 0.00 -0.38 -5.00 121.76 118.79 1k85 s ALA 567 Ca 0.65 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1k85 s ALA 567 Cb -0.20 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 1k85 s ALA 567 CO 0.55 -1.00 -0.11 -1.54 0.00 0.00 0.00 175.76 173.66 1k85 s SER 568 N -3.08 1.24 0.00 0.00 1.04 -1.26 -1.52 113.70 110.12 1k85 s SER 568 Ca 0.15 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1k85 s SER 568 Cb -0.05 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1k85 s SER 568 CO 0.10 -0.16 0.00 0.35 0.98 0.00 0.00 173.24 174.50 1k85 n THR 569 N 1.27 0.00 -2.93 2.02 -2.24 -0.28 -4.88 114.28 107.24 1k85 n THR 569 Ca -0.21 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 1k85 n THR 569 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 3.25 -0.38 6.98 0.00 -1.24 -4.93 121.76 123.45 1k85 s ALA 570 Ca 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 51.96 49.75 1k85 s ALA 570 Cb 0.00 -3.84 0.09 0.00 0.00 0.00 0.00 23.12 19.38 1k85 s ALA 570 CO 0.00 -2.74 0.14 -0.65 0.00 0.00 0.00 175.76 172.52 1k85 s GLN 571 N 3.37 2.09 0.00 0.00 1.11 -1.26 -0.40 119.66 124.57 1k85 s GLN 571 Ca 0.23 -1.67 0.00 0.00 0.01 0.00 0.00 55.36 53.93 1k85 s GLN 571 Cb -0.15 -3.47 0.00 0.00 -1.01 0.00 0.00 33.01 28.38 1k85 s GLN 571 CO 0.04 -0.94 0.00 0.25 0.01 0.00 0.00 175.29 174.64 1k85 n THR 572 N 4.59 0.00 -0.14 -0.19 -2.24 -0.44 -4.97 114.28 110.89 1k85 n THR 572 Ca -0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1k85 n THR 572 Cb 0.42 -1.59 0.25 0.00 -2.10 0.00 0.00 70.33 67.31 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 -0.47 1.65 0.00 4.28 -2.24 -1.26 -4.46 114.28 111.78 1k85 n THR 573 Ca 0.00 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1k85 n THR 573 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 0.45 0.00 -4.29 3.42 3.41 -1.26 -4.37 113.62 110.98 1k85 n SER 574 Ca 0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.44 1k85 n SER 574 Cb 0.81 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.61 4.02 -0.09 4.04 1.04 -1.26 -3.30 113.70 116.54 1k85 s SER 575 Ca 0.00 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1k85 s SER 575 Cb 0.00 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 1k85 s SER 575 CO 0.00 0.02 -0.04 -0.51 0.98 0.00 0.00 173.24 173.69 1k85 s ILE 576 N 1.19 3.91 -0.25 -1.02 2.07 -1.08 -1.33 121.20 124.70 1k85 s ILE 576 Ca 0.02 -0.39 -0.03 0.00 -1.41 0.00 0.00 60.65 58.84 1k85 s ILE 576 Cb -0.14 -2.64 0.01 0.00 0.13 0.00 0.00 42.46 39.83 1k85 s ILE 576 CO -0.03 0.58 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.67 1k85 s THR 577 N -0.60 3.24 0.19 4.00 2.01 0.47 -2.18 115.64 122.76 1k85 s THR 577 Ca 0.09 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1k85 s THR 577 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1k85 s THR 577 CO 0.02 0.22 0.21 -0.76 -0.69 0.00 0.00 174.62 173.61 1k85 s LEU 578 N 1.40 3.99 -0.07 4.42 1.43 -0.53 -1.12 118.68 128.20 1k85 s LEU 578 Ca 0.02 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1k85 s LEU 578 Cb -0.16 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1k85 s LEU 578 CO -0.03 0.03 0.18 -0.94 0.23 0.00 0.00 176.35 175.82 1k85 s SER 579 N -3.38 -0.19 0.22 2.29 1.04 -0.58 -2.20 113.70 110.90 1k85 s SER 579 Ca 0.32 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 1k85 s SER 579 Cb -0.10 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1k85 s SER 579 CO 0.26 -0.07 0.27 -1.66 0.98 0.00 0.00 173.24 173.01 1k85 s TRP 580 N 0.22 0.83 -0.08 5.02 -2.14 -1.22 -1.25 118.94 120.31 1k85 s TRP 580 Ca -0.01 -1.11 -0.29 0.00 2.66 0.00 0.00 56.10 57.35 1k85 s TRP 580 Cb -0.02 -0.25 -0.02 0.00 -3.10 0.00 0.00 33.47 30.08 1k85 s TRP 580 CO -0.01 -0.78 0.98 0.99 -2.66 0.00 0.00 176.95 175.47 1k85 s THR 581 N -4.10 4.82 1.02 0.66 2.01 -1.22 -4.97 115.64 113.86 1k85 s THR 581 Ca 0.32 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 64.21 1k85 s THR 581 Cb 0.04 -4.29 0.20 0.00 0.01 0.00 0.00 72.50 68.46 1k85 s THR 581 CO 0.10 0.05 1.10 0.00 -0.69 0.00 0.00 174.62 175.19 1k85 s ALA 582 N 1.72 0.69 -0.03 7.40 0.00 -1.26 -4.06 121.76 126.22 1k85 s ALA 582 Ca 0.48 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 1k85 s ALA 582 Cb -0.19 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1k85 s ALA 582 CO 0.20 -3.22 0.63 0.45 0.00 0.00 0.00 175.76 173.82 1k85 s SER 583 N -2.57 6.97 0.00 0.00 0.15 -1.26 -4.88 113.70 112.12 1k85 s SER 583 Ca 0.68 1.16 0.12 0.00 0.70 0.00 0.00 55.95 58.61 1k85 s SER 583 Cb -0.24 -2.38 0.57 0.00 -1.71 0.00 0.00 66.02 62.26 1k85 s SER 583 CO 0.61 0.02 1.36 0.35 1.20 0.00 0.00 173.24 176.77 1k85 n THR 584 N 3.12 0.95 -2.28 6.45 -2.24 -1.26 -3.38 114.28 115.64 1k85 n THR 584 Ca -0.05 0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.57 1k85 n THR 584 Cb 0.51 -1.03 0.03 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.41 7.44 0.00 3.42 9.92 -1.26 -4.95 116.55 129.71 1k85 n ASP 585 Ca 0.04 -3.76 0.00 0.00 -0.53 0.00 0.00 54.79 50.54 1k85 n ASP 585 Cb 0.12 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 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 -0.30 0.00 -1.45 -2.24 2.85 -1.22 -4.39 115.26 108.52 1k85 n ASN 586 Ca 0.50 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.84 1k85 n ASN 586 Cb 0.25 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.21 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1k85 n VAL 587 N 0.00 -0.04 0.00 3.44 0.31 -1.26 -4.00 118.33 116.78 1k85 n VAL 587 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k85 n VAL 587 Cb 0.00 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k85 n GLY 588 N -0.28 0.04 3.65 2.92 0.00 -1.26 -4.99 105.19 105.26 1k85 n GLY 588 Ca -0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.60 3.41 -0.22 1.61 1.01 -1.26 -2.69 120.40 121.67 1k85 s VAL 589 Ca 0.00 0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.55 1k85 s VAL 589 Cb 0.00 -3.36 -0.20 0.00 0.00 0.00 0.00 36.38 32.82 1k85 s VAL 589 CO 0.00 -0.10 -0.09 1.07 0.00 0.00 0.00 175.10 175.98 1k85 n THR 590 N 6.00 1.37 -3.86 3.92 5.66 -1.20 -4.93 114.28 121.23 1k85 n THR 590 Ca 0.20 -0.67 -0.10 0.00 -3.05 0.00 0.00 64.05 60.43 1k85 n THR 590 Cb 0.43 -0.97 0.01 0.00 -1.55 0.00 0.00 70.33 68.26 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 -5.91 0.54 0.16 1.09 0.00 -1.25 -4.71 107.32 97.23 1k85 s GLY 591 Ca -0.22 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 43.72 1k85 s GLY 591 CO 0.67 -0.42 -0.18 -0.19 0.00 0.00 0.00 173.10 172.98 1k85 s TYR 592 N -2.49 1.83 -0.12 1.90 1.51 -0.03 -2.57 117.35 117.38 1k85 s TYR 592 Ca 0.18 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1k85 s TYR 592 Cb -0.04 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1k85 s TYR 592 CO 0.13 0.33 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.35 1k85 s ASP 593 N -2.66 2.27 -0.05 2.29 1.11 0.25 -2.14 116.67 117.76 1k85 s ASP 593 Ca 0.16 -0.39 -0.05 0.00 0.18 0.00 0.00 52.55 52.45 1k85 s ASP 593 Cb -0.06 -0.74 -0.04 0.00 1.07 0.00 0.00 42.92 43.16 1k85 s ASP 593 CO 0.07 -0.17 0.18 0.54 1.18 0.00 0.00 175.17 176.96 1k85 s VAL 594 N 1.77 5.44 0.19 -1.27 0.11 -1.12 0.52 120.40 126.05 1k85 s VAL 594 Ca 0.03 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 1k85 s VAL 594 Cb -0.14 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1k85 s VAL 594 CO -0.07 0.43 0.07 -0.31 -3.33 0.00 0.00 175.10 171.89 1k85 s TYR 595 N -1.22 2.95 -0.67 1.54 2.02 0.21 -0.71 117.35 121.47 1k85 s TYR 595 Ca 0.23 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1k85 s TYR 595 Cb -0.12 -1.39 0.16 0.00 -0.40 0.00 0.00 41.96 40.20 1k85 s TYR 595 CO 0.13 0.53 0.46 0.54 -1.57 0.00 0.00 175.55 175.64 1k85 s ASN 596 N -3.21 4.86 0.00 2.29 4.22 0.88 -2.91 114.94 121.06 1k85 s ASN 596 Ca 0.30 -3.51 0.00 0.00 -2.14 0.00 0.00 52.86 47.51 1k85 s ASN 596 Cb -0.09 -1.69 0.00 0.00 1.28 0.00 0.00 41.25 40.75 1k85 s ASN 596 CO 0.21 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.72 1k85 n GLY 597 N 2.48 1.61 0.71 0.45 0.00 -0.97 -3.54 105.19 105.93 1k85 n GLY 597 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.91 2.61 -2.24 -1.26 -5.10 114.28 106.38 1k85 n THR 598 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1k85 n THR 598 Cb 0.00 -0.04 0.12 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.36 2.53 -0.15 6.98 0.00 -1.23 -5.01 121.76 123.52 1k85 s ALA 599 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 1k85 s ALA 599 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1k85 s ALA 599 CO 0.00 -1.90 0.54 -1.17 0.00 0.00 0.00 175.76 173.23 1k85 s LEU 600 N -5.67 4.22 0.00 0.00 2.96 -1.26 -0.09 118.68 118.84 1k85 s LEU 600 Ca 0.66 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1k85 s LEU 600 Cb -0.09 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1k85 s LEU 600 CO 0.50 -0.12 0.00 0.00 -1.32 0.00 0.00 176.35 175.41 1k85 n ALA 601 N 4.28 0.00 -2.24 5.97 0.00 0.11 -4.81 120.51 123.83 1k85 n ALA 601 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 1k85 n ALA 601 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 0.73 3.81 -0.24 0.00 -1.32 -1.25 -4.97 115.64 112.40 1k85 s THR 602 Ca 0.00 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 60.08 1k85 s THR 602 Cb 0.00 -3.44 0.07 0.00 -1.51 0.00 0.00 72.50 67.63 1k85 s THR 602 CO 0.00 -0.34 0.03 0.42 -2.21 0.00 0.00 174.62 172.52 1k85 s THR 603 N -2.68 0.94 0.40 5.08 -4.23 -1.26 -2.79 115.64 111.10 1k85 s THR 603 Ca 0.50 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1k85 s THR 603 Cb -0.10 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.30 1k85 s THR 603 CO 0.40 -0.33 0.26 1.33 -0.54 0.00 0.00 174.62 175.73 1k85 n VAL 604 N 4.87 0.00 0.00 2.29 0.24 -0.91 -5.00 118.33 119.82 1k85 n VAL 604 Ca -0.07 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 1k85 n VAL 604 Cb 0.45 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.37 0.00 0.00 3.34 -2.24 -1.26 -0.85 114.28 111.89 1k85 n THR 605 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1k85 n THR 605 Cb 0.46 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.24 0.00 3.38 0.00 -1.26 -4.49 105.19 104.37 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 2.41 0.00 0.00 0.00 173.32 175.73 1k85 n THR 607 N 0.00 0.00 -4.40 2.61 -1.04 -1.26 -4.85 114.28 105.33 1k85 n THR 607 Ca 0.00 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.05 61.61 1k85 n THR 607 Cb 0.00 1.33 -0.11 0.00 -1.82 0.00 0.00 70.33 69.73 1k85 n THR 607 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1k85 s THR 608 N -0.16 2.17 -0.04 12.58 -4.23 -1.26 -3.44 115.64 121.25 1k85 s THR 608 Ca 0.00 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.39 1k85 s THR 608 Cb 0.00 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.78 1k85 s THR 608 CO 0.00 -0.31 -0.04 0.00 -0.54 0.00 0.00 174.62 173.72 1k85 s ALA 609 N -2.18 0.66 -0.18 3.99 0.00 -0.93 -4.73 121.76 118.38 1k85 s ALA 609 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1k85 s ALA 609 Cb -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1k85 s ALA 609 CO 0.10 -0.01 -0.04 0.99 0.00 0.00 0.00 175.76 176.80 1k85 s THR 610 N 0.91 3.71 -0.09 0.00 2.01 -1.26 -1.45 115.64 119.47 1k85 s THR 610 Ca -0.11 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1k85 s THR 610 Cb -0.14 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1k85 s THR 610 CO 0.00 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 1k85 s ILE 611 N 0.82 3.59 0.52 1.82 1.09 -0.92 -4.64 121.20 123.48 1k85 s ILE 611 Ca -0.01 -0.50 0.04 0.00 -1.10 0.00 0.00 60.65 59.08 1k85 s ILE 611 Cb -0.15 -2.49 0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1k85 s ILE 611 CO 0.02 0.57 0.24 -0.94 -0.10 0.00 0.00 174.94 174.72 1k85 s SER 612 N -0.39 4.43 -1.20 3.58 1.04 -1.26 -2.62 113.70 117.27 1k85 s SER 612 Ca 0.05 -1.39 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 1k85 s SER 612 Cb -0.12 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1k85 s SER 612 CO 0.02 -0.98 0.58 0.61 0.98 0.00 0.00 173.24 174.45 1k85 n GLY 613 N -1.55 -0.26 1.69 7.32 0.00 -1.26 -5.01 105.19 106.12 1k85 n GLY 613 Ca -0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1k85 n GLY 613 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k85 n LEU 614 N -3.42 0.00 -3.84 0.99 4.32 -1.21 -5.13 117.00 108.71 1k85 n LEU 614 Ca -0.07 -0.81 -0.10 0.00 -0.02 0.00 0.00 56.01 55.01 1k85 n LEU 614 Cb 0.59 -0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 41.97 1k85 n LEU 614 CO 0.40 -0.79 -0.08 0.00 -1.22 0.00 0.00 177.39 175.71 1k85 s ALA 615 N -3.32 -0.32 0.40 -1.18 0.00 -1.26 -4.84 121.76 111.23 1k85 s ALA 615 Ca 0.30 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1k85 s ALA 615 Cb -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1k85 s ALA 615 CO 0.21 -0.46 0.70 0.00 0.00 0.00 0.00 175.76 176.21 1k85 s ALA 616 N -3.37 3.47 -1.41 0.00 0.00 -1.26 -4.25 121.76 114.94 1k85 s ALA 616 Ca 0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1k85 s ALA 616 Cb 0.03 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.68 1k85 s ALA 616 CO -0.08 -0.08 0.97 -0.25 0.00 0.00 0.00 175.76 176.31 1k85 n ASP 617 N -1.64 -4.06 -3.91 0.00 9.92 -0.59 -4.99 116.55 111.28 1k85 n ASP 617 Ca -0.00 -0.72 -0.11 0.00 -0.53 0.00 0.00 54.79 53.43 1k85 n ASP 617 Cb 0.55 -4.32 -0.13 0.00 -0.64 0.00 0.00 41.12 36.58 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1k85 s THR 618 N -3.40 0.04 0.06 -3.53 2.01 -1.26 -4.96 115.64 104.60 1k85 s THR 618 Ca 0.43 -0.37 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 1k85 s THR 618 Cb -0.21 -0.13 -0.06 0.00 0.01 0.00 0.00 72.50 72.11 1k85 s THR 618 CO 0.79 -0.20 0.52 -0.94 -0.69 0.00 0.00 174.62 174.10 1k85 s SER 619 N -0.60 6.97 -0.06 3.53 1.04 -1.26 -2.33 113.70 120.98 1k85 s SER 619 Ca -0.07 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 1k85 s SER 619 Cb -0.04 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1k85 s SER 619 CO -0.00 0.27 -0.01 -0.31 0.98 0.00 0.00 173.24 174.17 1k85 s TYR 620 N -1.14 0.70 -0.44 5.02 2.02 -1.00 -5.00 117.35 117.52 1k85 s TYR 620 Ca 0.28 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.66 1k85 s TYR 620 Cb -0.18 -0.77 0.07 0.00 -0.40 0.00 0.00 41.96 40.68 1k85 s TYR 620 CO 0.17 -0.30 0.33 0.99 -1.57 0.00 0.00 175.55 175.18 1k85 s THR 621 N 1.67 4.80 0.53 -0.71 2.01 -1.25 -2.15 115.64 120.55 1k85 s THR 621 Ca 0.01 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 60.93 1k85 s THR 621 Cb -0.13 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.57 1k85 s THR 621 CO -0.04 -0.52 0.73 -0.36 -0.69 0.00 0.00 174.62 173.74 1k85 s PHE 622 N 1.55 1.77 -0.12 4.92 0.08 -0.76 -2.29 117.98 123.12 1k85 s PHE 622 Ca 0.04 -0.64 -0.31 0.00 0.12 0.00 0.00 56.93 56.13 1k85 s PHE 622 Cb -0.23 -2.25 0.12 0.00 -0.57 0.00 0.00 43.02 40.09 1k85 s PHE 622 CO 0.05 -0.96 1.02 0.95 -0.10 0.00 0.00 175.22 176.19 1k85 s THR 623 N -2.59 0.00 0.27 0.64 -4.23 -1.15 -2.29 115.64 106.30 1k85 s THR 623 Ca 0.60 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.22 1k85 s THR 623 Cb -0.07 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1k85 s THR 623 CO 0.37 0.00 -0.19 0.68 -0.54 0.00 0.00 174.62 174.94 1k85 s VAL 624 N -2.07 2.54 -0.13 2.29 -7.23 -1.26 -0.62 120.40 113.92 1k85 s VAL 624 Ca 0.03 -2.34 -0.04 0.00 -1.81 0.00 0.00 61.98 57.83 1k85 s VAL 624 Cb -0.01 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.66 1k85 s VAL 624 CO -0.04 -0.37 0.10 -0.54 -0.31 0.00 0.00 175.10 173.94 1k85 s LYS 625 N -3.44 0.03 -0.24 4.82 -0.14 0.18 -0.45 119.74 120.51 1k85 s LYS 625 Ca 0.29 0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.73 1k85 s LYS 625 Cb -0.05 -1.31 0.01 0.00 -1.68 0.00 0.00 37.83 34.79 1k85 s LYS 625 CO 0.15 -0.55 1.07 0.00 -0.76 0.00 0.00 175.35 175.25 1k85 s ALA 626 N 2.18 3.65 0.36 5.17 0.00 -1.26 -0.58 121.76 131.28 1k85 s ALA 626 Ca 0.03 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.25 1k85 s ALA 626 Cb -0.15 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 1k85 s ALA 626 CO -0.07 -1.14 -0.00 -1.59 0.00 0.00 0.00 175.76 172.95 1k85 s LYS 627 N 3.31 1.99 0.28 0.00 -2.85 -1.06 -1.44 119.74 119.96 1k85 s LYS 627 Ca 0.45 -1.89 0.07 0.00 -1.00 0.00 0.00 55.97 53.61 1k85 s LYS 627 Cb -0.15 -1.81 -0.06 0.00 -2.06 0.00 0.00 37.83 33.75 1k85 s LYS 627 CO 0.08 0.07 -0.07 0.16 0.10 0.00 0.00 175.35 175.70 1k85 s ASP 628 N -3.70 2.84 -1.15 0.03 -4.77 0.48 -3.26 116.67 107.14 1k85 s ASP 628 Ca 0.35 -1.17 -0.07 0.00 -3.30 0.00 0.00 52.55 48.35 1k85 s ASP 628 Cb 0.03 -0.18 -0.03 0.00 -1.09 0.00 0.00 42.92 41.65 1k85 s ASP 628 CO 0.19 -0.30 2.85 0.00 0.70 0.00 0.00 175.17 178.60 1k85 n ALA 629 N -0.58 7.02 -0.10 2.11 0.00 -1.09 -3.32 120.51 124.54 1k85 n ALA 629 Ca -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.98 1k85 n ALA 629 Cb 0.63 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 2.49 0.00 0.00 0.00 0.00 -1.26 -5.02 120.51 116.72 1k85 n ALA 630 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1k85 n ALA 630 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 1.87 3.09 0.00 0.00 -1.21 -5.12 105.19 103.82 1k85 n GLY 631 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.93 -0.01 1.61 0.02 -1.26 -5.00 114.94 111.23 1k85 s ASN 632 Ca 0.00 -0.57 0.00 0.00 -1.02 0.00 0.00 52.86 51.27 1k85 s ASN 632 Cb 0.00 -1.35 0.01 0.00 0.02 0.00 0.00 41.25 39.93 1k85 s ASN 632 CO 0.00 -0.00 0.00 0.54 0.02 0.00 0.00 177.10 177.66 1k85 s VAL 633 N 1.25 0.08 0.71 1.60 0.11 -1.26 -0.39 120.40 122.50 1k85 s VAL 633 Ca 0.02 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 1k85 s VAL 633 Cb -0.13 -0.14 0.17 0.00 -1.53 0.00 0.00 36.38 34.74 1k85 s VAL 633 CO -0.10 0.08 0.82 -0.24 -3.33 0.00 0.00 175.10 172.34 1k85 n SER 634 N 3.65 -0.61 -4.14 3.54 2.88 -0.52 -4.86 113.62 113.55 1k85 n SER 634 Ca -0.20 -1.18 -0.30 0.00 -1.33 0.00 0.00 58.87 55.86 1k85 n SER 634 Cb 0.54 -0.67 0.20 0.00 -0.75 0.00 0.00 64.21 63.53 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 s ALA 635 N -3.62 1.46 0.60 -1.46 0.00 -1.26 -4.62 121.76 112.87 1k85 s ALA 635 Ca 0.49 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 1k85 s ALA 635 Cb -0.03 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1k85 s ALA 635 CO 0.35 -2.88 1.07 0.00 0.00 0.00 0.00 175.76 174.30 1k85 s ALA 636 N -3.39 2.70 1.00 0.00 0.00 -1.26 -4.51 121.76 116.30 1k85 s ALA 636 Ca 0.70 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1k85 s ALA 636 Cb -0.09 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1k85 s ALA 636 CO 0.54 -0.88 0.00 -1.13 0.00 0.00 0.00 175.76 174.29 1k85 n SER 637 N -2.09 -0.00 -4.78 0.00 3.41 0.40 -4.84 113.62 105.72 1k85 n SER 637 Ca 0.09 -0.33 -0.36 0.00 -0.26 0.00 0.00 58.87 58.02 1k85 n SER 637 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1k85 n SER 637 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1k85 s ASN 638 N -1.01 6.62 -0.23 4.04 0.01 -1.26 -4.74 114.94 118.37 1k85 s ASN 638 Ca 0.00 2.03 -0.29 0.00 -0.71 0.00 0.00 52.86 53.89 1k85 s ASN 638 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1k85 s ASN 638 CO 0.00 -0.59 1.04 0.00 -1.51 0.00 0.00 177.10 176.04 1k85 s ALA 639 N -1.73 3.69 -0.15 0.60 0.00 -1.26 -4.51 121.76 118.40 1k85 s ALA 639 Ca 0.60 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1k85 s ALA 639 Cb -0.21 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1k85 s ALA 639 CO 0.26 -1.06 0.08 0.54 0.00 0.00 0.00 175.76 175.58 1k85 s VAL 640 N 3.21 4.96 -0.38 0.00 0.11 -0.97 -4.92 120.40 122.40 1k85 s VAL 640 Ca 0.44 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.44 1k85 s VAL 640 Cb -0.15 -3.19 0.07 0.00 -1.53 0.00 0.00 36.38 31.58 1k85 s VAL 640 CO 0.06 0.53 0.18 -0.44 -3.33 0.00 0.00 175.10 172.10 1k85 s SER 641 N -0.24 5.41 -0.15 3.54 0.01 -1.26 -1.83 113.70 119.18 1k85 s SER 641 Ca 0.09 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 55.85 1k85 s SER 641 Cb -0.12 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 1k85 s SER 641 CO 0.01 -0.45 -0.06 0.68 0.41 0.00 0.00 173.24 173.83 1k85 s VAL 642 N 1.35 3.70 -0.25 3.43 -7.23 -0.92 -4.96 120.40 115.53 1k85 s VAL 642 Ca 0.02 -0.43 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 1k85 s VAL 642 Cb -0.22 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1k85 s VAL 642 CO 0.01 0.50 0.33 -1.59 -0.31 0.00 0.00 175.10 174.04 1k85 s LYS 643 N 0.31 4.05 0.00 4.82 -2.85 -1.26 -2.38 119.74 122.43 1k85 s LYS 643 Ca -0.05 -0.01 0.26 0.00 -1.00 0.00 0.00 55.97 55.17 1k85 s LYS 643 Cb -0.14 -3.62 0.55 0.00 -2.06 0.00 0.00 37.83 32.55 1k85 s LYS 643 CO 0.04 -0.18 1.46 0.25 0.10 0.00 0.00 175.35 177.02