#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 -1.68 -0.41 0.00 -1.26 -4.71 117.12 109.06 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 n ALA 559 N 3.50 0.85 -1.16 3.04 0.00 -1.26 -4.87 120.51 120.61 1k85 n ALA 559 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1k85 n ALA 559 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1k85 n ALA 559 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k85 n PRO 560 N -0.94 3.77 -4.20 0.00 -0.04 -1.26 -4.92 135.00 127.41 1k85 n PRO 560 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 1k85 n PRO 560 Cb 0.45 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.78 2.82 0.20 0.52 2.01 -1.26 -4.70 115.64 116.01 1k85 s THR 561 Ca 0.00 -0.69 -0.32 0.00 0.31 0.00 0.00 61.69 60.98 1k85 s THR 561 Cb 0.00 -2.23 -0.12 0.00 0.01 0.00 0.00 72.50 70.16 1k85 s THR 561 CO 0.00 0.49 1.71 0.00 -0.69 0.00 0.00 174.62 176.12 1k85 n ALA 562 N 4.45 2.60 -1.64 7.40 0.00 -1.26 -4.38 120.51 127.68 1k85 n ALA 562 Ca -0.19 0.41 -0.57 0.00 0.00 0.00 0.00 53.44 53.08 1k85 n ALA 562 Cb 0.51 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.39 1k85 n ALA 562 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k85 n PRO 563 N 3.93 0.82 -4.15 0.00 -0.02 -1.26 -4.90 135.00 129.42 1k85 n PRO 563 Ca 0.16 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1k85 n PRO 563 Cb 0.34 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.76 3.90 -0.48 3.45 -1.32 -1.22 -4.31 115.64 117.42 1k85 s THR 564 Ca 0.93 -1.03 -0.16 0.00 -1.21 0.00 0.00 61.69 60.22 1k85 s THR 564 Cb -1.11 -2.85 0.02 0.00 -1.51 0.00 0.00 72.50 67.05 1k85 s THR 564 CO 0.59 0.12 0.62 0.59 -2.21 0.00 0.00 174.62 174.34 1k85 n ASN 565 N 0.61 -7.61 -4.92 8.08 4.13 -1.26 -2.43 115.26 111.87 1k85 n ASN 565 Ca -0.11 0.35 -0.26 0.00 1.68 0.00 0.00 54.58 56.23 1k85 n ASN 565 Cb 0.52 -4.90 -0.01 0.00 -1.54 0.00 0.00 39.78 33.85 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 -2.84 3.82 0.29 3.41 2.96 -1.26 -3.59 118.68 121.48 1k85 s LEU 566 Ca 0.22 0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 54.68 1k85 s LEU 566 Cb -0.06 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1k85 s LEU 566 CO 0.78 -0.43 0.80 0.00 -1.32 0.00 0.00 176.35 176.18 1k85 s ALA 567 N -2.51 -1.15 0.02 5.97 0.00 -0.07 -4.98 121.76 119.04 1k85 s ALA 567 Ca 0.44 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.07 1k85 s ALA 567 Cb -0.10 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1k85 s ALA 567 CO 0.40 -1.03 -0.20 -1.54 0.00 0.00 0.00 175.76 173.39 1k85 s SER 568 N -3.01 2.43 0.00 0.00 1.04 -1.26 -1.79 113.70 111.10 1k85 s SER 568 Ca 0.13 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1k85 s SER 568 Cb -0.05 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1k85 s SER 568 CO 0.08 0.19 0.00 0.35 0.98 0.00 0.00 173.24 174.84 1k85 n THR 569 N 2.09 0.00 -2.63 2.02 -2.24 -0.72 -4.92 114.28 107.88 1k85 n THR 569 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1k85 n THR 569 Cb 0.53 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.94 -0.06 6.98 0.00 -1.24 -4.92 121.76 123.46 1k85 s ALA 570 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1k85 s ALA 570 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 1k85 s ALA 570 CO 0.00 -2.87 -0.23 -0.65 0.00 0.00 0.00 175.76 172.01 1k85 s GLN 571 N 5.02 2.40 0.00 0.00 1.11 -1.26 -0.05 119.66 126.88 1k85 s GLN 571 Ca 0.36 -0.82 0.00 0.00 0.01 0.00 0.00 55.36 54.91 1k85 s GLN 571 Cb -0.09 -2.01 0.00 0.00 -1.01 0.00 0.00 33.01 29.90 1k85 s GLN 571 CO 0.19 0.32 0.00 0.25 0.01 0.00 0.00 175.29 176.06 1k85 n THR 572 N 3.08 0.00 -0.80 -0.19 -2.24 0.24 -5.01 114.28 109.36 1k85 n THR 572 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1k85 n THR 572 Cb 0.52 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.95 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 2.72 0.00 4.28 -2.24 -1.26 -4.46 114.28 113.32 1k85 n THR 573 Ca 0.00 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1k85 n THR 573 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.53 0.00 -4.52 3.42 3.41 -1.21 -4.31 113.62 109.87 1k85 n SER 574 Ca 0.44 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.77 1k85 n SER 574 Cb 1.38 0.00 -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 -1.00 4.00 -0.00 4.04 1.04 -1.25 -2.00 113.70 118.52 1k85 s SER 575 Ca 0.00 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.72 1k85 s SER 575 Cb 0.00 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1k85 s SER 575 CO 0.00 0.12 0.14 -0.51 0.98 0.00 0.00 173.24 173.98 1k85 s ILE 576 N -1.57 0.08 -0.21 -1.02 2.07 -0.93 -0.59 121.20 119.03 1k85 s ILE 576 Ca 0.22 -0.63 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1k85 s ILE 576 Cb -0.09 -0.42 0.05 0.00 0.13 0.00 0.00 42.46 42.13 1k85 s ILE 576 CO 0.13 -0.35 -0.04 -0.89 -1.91 0.00 0.00 174.94 171.89 1k85 s THR 577 N -1.26 1.21 -0.09 4.00 2.01 0.93 -2.16 115.64 120.28 1k85 s THR 577 Ca -0.13 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 1k85 s THR 577 Cb -0.07 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1k85 s THR 577 CO 0.02 -0.05 0.14 -0.76 -0.69 0.00 0.00 174.62 173.28 1k85 s LEU 578 N 1.55 4.33 -0.01 4.42 1.43 -0.85 -1.76 118.68 127.80 1k85 s LEU 578 Ca -0.03 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1k85 s LEU 578 Cb -0.17 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1k85 s LEU 578 CO -0.07 0.37 -0.20 -0.55 0.23 0.00 0.00 176.35 176.13 1k85 s SER 579 N -1.24 2.33 0.26 2.29 0.15 -0.74 -1.71 113.70 115.04 1k85 s SER 579 Ca 0.18 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 1k85 s SER 579 Cb -0.12 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1k85 s SER 579 CO 0.07 0.24 0.56 -1.66 1.20 0.00 0.00 173.24 173.65 1k85 s TRP 580 N -0.49 0.17 -0.19 3.44 -2.14 -0.84 -0.89 118.94 117.98 1k85 s TRP 580 Ca 0.08 -0.56 -0.25 0.00 2.66 0.00 0.00 56.10 58.02 1k85 s TRP 580 Cb -0.08 0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 30.64 1k85 s TRP 580 CO -0.01 -1.07 0.83 0.99 -2.66 0.00 0.00 176.95 175.04 1k85 s THR 581 N -3.98 4.86 0.94 0.66 2.01 -1.02 -4.73 115.64 114.38 1k85 s THR 581 Ca 0.18 1.61 -0.11 0.00 0.31 0.00 0.00 61.69 63.68 1k85 s THR 581 Cb -0.02 -4.13 0.11 0.00 0.01 0.00 0.00 72.50 68.47 1k85 s THR 581 CO 0.08 -0.01 0.86 0.00 -0.69 0.00 0.00 174.62 174.86 1k85 n ALA 582 N 5.51 -1.59 -0.83 7.40 0.00 -1.26 -3.41 120.51 126.33 1k85 n ALA 582 Ca 0.05 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.55 1k85 n ALA 582 Cb 0.48 -2.04 0.14 0.00 0.00 0.00 0.00 19.45 18.03 1k85 n ALA 582 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k85 n SER 583 N -3.20 -0.51 -1.32 0.00 7.64 -1.26 -4.80 113.62 110.17 1k85 n SER 583 Ca 0.10 0.43 0.09 0.00 1.01 0.00 0.00 58.87 60.49 1k85 n SER 583 Cb 0.53 -1.37 0.30 0.00 -1.01 0.00 0.00 64.21 62.66 1k85 n SER 583 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1k85 n THR 584 N -3.75 1.27 -0.06 0.44 -2.24 -1.26 -4.43 114.28 104.26 1k85 n THR 584 Ca 0.10 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.84 1k85 n THR 584 Cb 0.52 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1k85 n THR 584 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k85 n ASP 585 N 1.13 1.64 -1.76 3.42 5.75 -1.26 -4.97 116.55 120.50 1k85 n ASP 585 Ca 0.22 0.27 -0.09 0.00 -0.01 0.00 0.00 54.79 55.17 1k85 n ASP 585 Cb 0.68 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1k85 n ASN 586 N -4.12 -2.79 -0.63 -1.12 4.05 -1.26 -4.75 115.26 104.64 1k85 n ASN 586 Ca -0.16 0.25 0.12 0.00 0.45 0.00 0.00 54.58 55.24 1k85 n ASN 586 Cb 0.45 -2.60 0.11 0.00 1.23 0.00 0.00 39.78 38.97 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1k85 n VAL 587 N -2.27 0.00 -0.86 3.44 0.24 -1.26 -4.59 118.33 113.03 1k85 n VAL 587 Ca -0.10 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1k85 n VAL 587 Cb 0.42 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 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 1.37 0.75 3.71 7.63 0.00 -1.26 -5.05 105.19 112.34 1k85 n GLY 588 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 2.84 -0.03 1.61 1.01 -1.26 -1.18 120.40 123.39 1k85 s VAL 589 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1k85 s VAL 589 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1k85 s VAL 589 CO 0.00 0.03 0.01 1.07 0.00 0.00 0.00 175.10 176.21 1k85 n THR 590 N 4.16 0.22 -3.83 3.92 5.66 -1.05 -4.92 114.28 118.44 1k85 n THR 590 Ca 0.14 -0.14 -0.07 0.00 -3.05 0.00 0.00 64.05 60.94 1k85 n THR 590 Cb 0.40 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 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 -3.45 0.09 -0.10 1.09 0.00 -1.25 -4.72 107.32 98.98 1k85 s GLY 591 Ca -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1k85 s GLY 591 CO 0.13 0.08 -0.14 -0.19 0.00 0.00 0.00 173.10 172.98 1k85 s TYR 592 N -3.04 1.87 -0.29 1.90 1.51 0.02 -2.38 117.35 116.94 1k85 s TYR 592 Ca 0.14 -0.86 -0.11 0.00 -1.01 0.00 0.00 57.07 55.23 1k85 s TYR 592 Cb -0.05 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1k85 s TYR 592 CO 0.08 -0.45 0.20 -0.51 -1.11 0.00 0.00 175.55 173.76 1k85 s ASP 593 N 0.98 6.02 -0.15 2.29 1.01 -0.29 -1.57 116.67 124.95 1k85 s ASP 593 Ca -0.07 -0.09 -0.09 0.00 0.71 0.00 0.00 52.55 53.01 1k85 s ASP 593 Cb -0.15 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1k85 s ASP 593 CO -0.01 -0.09 0.14 0.54 0.21 0.00 0.00 175.17 175.97 1k85 s VAL 594 N 1.75 5.46 -0.20 -1.27 0.11 -1.14 -1.77 120.40 123.33 1k85 s VAL 594 Ca 0.07 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.23 1k85 s VAL 594 Cb -0.16 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 1k85 s VAL 594 CO 0.11 0.54 0.14 -0.31 -3.33 0.00 0.00 175.10 172.24 1k85 s TYR 595 N -0.39 3.41 -0.70 1.54 2.02 0.16 -1.55 117.35 121.83 1k85 s TYR 595 Ca 0.12 0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 57.10 1k85 s TYR 595 Cb -0.12 -2.17 0.18 0.00 -0.40 0.00 0.00 41.96 39.45 1k85 s TYR 595 CO 0.01 0.28 0.54 1.21 -1.57 0.00 0.00 175.55 176.02 1k85 s ASN 596 N 0.40 5.59 -0.39 2.29 2.47 0.30 -2.52 114.94 123.09 1k85 s ASN 596 Ca 0.08 -2.93 -0.02 0.00 0.42 0.00 0.00 52.86 50.41 1k85 s ASN 596 Cb -0.11 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 1k85 s ASN 596 CO -0.01 -0.38 0.39 0.61 -3.72 0.00 0.00 177.10 173.98 1k85 n GLY 597 N 3.43 -0.89 2.47 1.21 0.00 -1.02 -3.51 105.19 106.88 1k85 n GLY 597 Ca 0.11 0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.20 -0.34 -3.17 2.61 -2.24 -1.26 -4.86 114.28 103.82 1k85 n THR 598 Ca 0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1k85 n THR 598 Cb 0.45 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.35 -2.18 0.24 6.98 0.00 -1.23 -5.14 121.76 118.08 1k85 s ALA 599 Ca 0.00 1.48 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 1k85 s ALA 599 Cb -0.00 -2.24 -0.15 0.00 0.00 0.00 0.00 23.12 20.72 1k85 s ALA 599 CO 0.00 -1.49 0.92 -0.11 0.00 0.00 0.00 175.76 175.08 1k85 n LEU 600 N 5.42 0.98 0.00 0.00 0.00 -1.26 -0.54 117.00 121.60 1k85 n LEU 600 Ca 0.01 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.18 1k85 n LEU 600 Cb 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1k85 n LEU 600 CO 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 177.39 175.62 1k85 n ALA 601 N 0.42 0.57 -2.06 1.96 0.00 -0.60 -4.67 120.51 116.13 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 0.29 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 0.21 3.03 -0.19 0.00 -1.32 -1.26 -4.99 115.64 111.11 1k85 s THR 602 Ca 0.00 -0.45 -0.04 0.00 -1.21 0.00 0.00 61.69 59.99 1k85 s THR 602 Cb 0.00 -3.17 0.07 0.00 -1.51 0.00 0.00 72.50 67.88 1k85 s THR 602 CO 0.00 -0.14 0.08 -0.89 -2.21 0.00 0.00 174.62 171.46 1k85 s THR 603 N -2.85 0.07 0.00 5.08 2.01 -1.26 -2.91 115.64 115.79 1k85 s THR 603 Ca 0.55 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1k85 s THR 603 Cb -0.10 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1k85 s THR 603 CO 0.40 -0.33 0.00 1.33 -0.69 0.00 0.00 174.62 175.33 1k85 n VAL 604 N 5.21 0.00 -0.12 3.82 0.24 -0.61 -4.95 118.33 121.92 1k85 n VAL 604 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1k85 n VAL 604 Cb 0.48 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.58 0.00 0.00 3.34 -2.24 -1.26 -0.80 114.28 112.74 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 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.88 0.51 3.38 0.00 -1.26 -4.61 105.19 105.10 1k85 n GLY 606 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 0.51 -4.31 2.61 -2.24 -1.26 -4.81 114.28 104.78 1k85 n THR 607 Ca 0.00 -0.76 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 1k85 n THR 607 Cb 0.00 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.94 2.75 -0.21 4.28 -4.23 -1.25 -1.99 115.64 114.06 1k85 s THR 608 Ca 0.17 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 1k85 s THR 608 Cb 0.10 -2.80 0.10 0.00 1.34 0.00 0.00 72.50 71.24 1k85 s THR 608 CO 0.14 -0.22 0.38 0.00 -0.54 0.00 0.00 174.62 174.37 1k85 s ALA 609 N -2.49 -1.03 -0.26 3.99 0.00 -0.70 -4.68 121.76 116.60 1k85 s ALA 609 Ca 0.35 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 1k85 s ALA 609 Cb -0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1k85 s ALA 609 CO 0.20 -0.95 0.13 0.99 0.00 0.00 0.00 175.76 176.13 1k85 s THR 610 N 2.55 4.91 -0.16 0.00 2.01 -1.25 -2.00 115.64 121.70 1k85 s THR 610 Ca 0.05 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1k85 s THR 610 Cb -0.13 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1k85 s THR 610 CO -0.13 0.31 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.28 1k85 s ILE 611 N 1.52 1.98 0.50 1.82 1.01 -0.92 -4.76 121.20 122.35 1k85 s ILE 611 Ca 0.06 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1k85 s ILE 611 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.58 1k85 s ILE 611 CO 0.07 0.53 0.66 -0.94 0.00 0.00 0.00 174.94 175.25 1k85 s SER 612 N 1.15 5.29 -0.81 3.58 1.04 -1.26 -2.19 113.70 120.50 1k85 s SER 612 Ca 0.01 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 1k85 s SER 612 Cb -0.14 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1k85 s SER 612 CO -0.09 -1.05 0.70 0.61 0.98 0.00 0.00 173.24 174.39 1k85 n GLY 613 N -2.01 -0.58 3.25 7.32 0.00 -1.05 -4.94 105.19 107.17 1k85 n GLY 613 Ca 0.11 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.88 2.07 0.72 0.99 1.02 -0.85 -5.05 118.68 112.70 1k85 s LEU 614 Ca 0.29 -0.52 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 1k85 s LEU 614 Cb -0.04 -1.37 0.02 0.00 0.02 0.00 0.00 46.19 44.82 1k85 s LEU 614 CO 0.56 0.21 1.07 0.00 0.02 0.00 0.00 176.35 178.21 1k85 s ALA 615 N 0.03 2.56 0.19 4.21 0.00 -1.26 -3.33 121.76 124.16 1k85 s ALA 615 Ca -0.09 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1k85 s ALA 615 Cb -0.15 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1k85 s ALA 615 CO 0.06 -1.36 0.56 0.00 0.00 0.00 0.00 175.76 175.02 1k85 s ALA 616 N -3.05 3.55 -1.26 0.00 0.00 -1.26 -4.31 121.76 115.43 1k85 s ALA 616 Ca 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1k85 s ALA 616 Cb -0.14 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1k85 s ALA 616 CO 0.55 0.46 0.70 -0.25 0.00 0.00 0.00 175.76 177.23 1k85 n ASP 617 N 0.40 -2.39 -4.02 0.00 8.00 -0.89 -4.96 116.55 112.69 1k85 n ASP 617 Ca -0.03 -0.87 -0.17 0.00 0.71 0.00 0.00 54.79 54.43 1k85 n ASP 617 Cb 0.52 -3.90 -0.14 0.00 -0.02 0.00 0.00 41.12 37.58 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k85 s THR 618 N -3.64 0.61 0.18 -3.53 2.01 -1.26 -4.90 115.64 105.11 1k85 s THR 618 Ca 0.14 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1k85 s THR 618 Cb -0.04 -0.55 -0.08 0.00 0.01 0.00 0.00 72.50 71.84 1k85 s THR 618 CO 0.82 0.05 0.96 -0.55 -0.69 0.00 0.00 174.62 175.21 1k85 s SER 619 N -0.52 7.56 -0.01 3.53 0.15 -1.26 -2.62 113.70 120.52 1k85 s SER 619 Ca 0.00 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1k85 s SER 619 Cb -0.05 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1k85 s SER 619 CO 0.00 0.04 0.01 -0.31 1.20 0.00 0.00 173.24 174.17 1k85 s TYR 620 N -0.62 0.12 -0.26 3.44 2.02 -1.03 -5.02 117.35 116.00 1k85 s TYR 620 Ca 0.44 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 57.17 1k85 s TYR 620 Cb -0.25 -0.19 0.04 0.00 -0.40 0.00 0.00 41.96 41.15 1k85 s TYR 620 CO 0.31 -0.06 -0.06 0.99 -1.57 0.00 0.00 175.55 175.17 1k85 s THR 621 N 0.55 2.79 0.27 -0.71 2.01 -1.25 -2.08 115.64 117.22 1k85 s THR 621 Ca -0.05 -1.18 0.08 0.00 0.31 0.00 0.00 61.69 60.85 1k85 s THR 621 Cb -0.07 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1k85 s THR 621 CO -0.01 0.11 0.15 -0.36 -0.69 0.00 0.00 174.62 173.81 1k85 s PHE 622 N 1.28 2.96 -0.24 4.92 0.08 -0.78 -2.44 117.98 123.76 1k85 s PHE 622 Ca -0.02 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 56.72 1k85 s PHE 622 Cb -0.18 -1.40 0.07 0.00 -0.57 0.00 0.00 43.02 40.95 1k85 s PHE 622 CO -0.04 0.51 0.59 0.95 -0.10 0.00 0.00 175.22 177.12 1k85 s THR 623 N -2.22 -0.01 0.10 0.64 -4.23 -1.05 -1.96 115.64 106.92 1k85 s THR 623 Ca 0.33 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1k85 s THR 623 Cb -0.07 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1k85 s THR 623 CO 0.24 0.01 0.25 0.68 -0.54 0.00 0.00 174.62 175.26 1k85 s VAL 624 N 1.51 5.35 -0.00 2.29 -7.23 -1.26 -0.67 120.40 120.38 1k85 s VAL 624 Ca -0.09 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1k85 s VAL 624 Cb -0.06 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.20 1k85 s VAL 624 CO -0.17 0.03 0.02 -0.54 -0.31 0.00 0.00 175.10 174.14 1k85 s LYS 625 N -2.82 0.10 -0.25 4.82 1.02 -0.73 -1.07 119.74 120.81 1k85 s LYS 625 Ca 0.35 -0.11 -0.09 0.00 0.02 0.00 0.00 55.97 56.14 1k85 s LYS 625 Cb -0.12 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1k85 s LYS 625 CO 0.28 -0.02 0.13 0.00 -0.92 0.00 0.00 175.35 174.82 1k85 s ALA 626 N -0.32 3.43 0.11 5.17 0.00 -1.26 -1.14 121.76 127.75 1k85 s ALA 626 Ca -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1k85 s ALA 626 Cb -0.02 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1k85 s ALA 626 CO -0.00 -0.32 -0.13 -1.59 0.00 0.00 0.00 175.76 173.71 1k85 s LYS 627 N 1.31 1.98 0.53 0.00 -2.85 -1.00 -1.05 119.74 118.67 1k85 s LYS 627 Ca 0.06 -1.09 0.07 0.00 -1.00 0.00 0.00 55.97 54.01 1k85 s LYS 627 Cb -0.15 -2.22 0.07 0.00 -2.06 0.00 0.00 37.83 33.47 1k85 s LYS 627 CO 0.06 0.50 0.54 -0.25 0.10 0.00 0.00 175.35 176.30 1k85 n ASP 628 N 0.75 2.39 -1.84 0.03 8.00 -0.71 -2.54 116.55 122.64 1k85 n ASP 628 Ca -0.14 -2.65 -0.16 0.00 0.71 0.00 0.00 54.79 52.54 1k85 n ASP 628 Cb 0.52 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1k85 n ASP 628 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k85 n ALA 629 N -2.11 4.88 -1.21 2.24 0.00 -0.33 -3.57 120.51 120.42 1k85 n ALA 629 Ca -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1k85 n ALA 629 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.09 0.63 -0.87 0.00 0.00 -1.26 -5.00 120.51 114.10 1k85 n ALA 630 Ca 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1k85 n ALA 630 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 0.50 3.35 0.00 0.00 -1.23 -5.03 105.19 102.78 1k85 n GLY 631 Ca 0.00 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.56 5.49 0.00 1.61 0.02 -1.26 -4.96 114.94 113.28 1k85 s ASN 632 Ca 0.00 -0.93 0.03 0.00 -1.02 0.00 0.00 52.86 50.94 1k85 s ASN 632 Cb 0.00 -1.95 -0.03 0.00 0.02 0.00 0.00 41.25 39.28 1k85 s ASN 632 CO 0.00 -0.31 -0.05 0.54 0.02 0.00 0.00 177.10 177.29 1k85 s VAL 633 N 1.51 3.74 0.00 1.60 0.11 -1.26 -1.73 120.40 124.37 1k85 s VAL 633 Ca 0.01 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1k85 s VAL 633 Cb -0.19 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1k85 s VAL 633 CO 0.05 0.39 0.00 -0.24 -3.33 0.00 0.00 175.10 171.96 1k85 n SER 634 N 1.51 -0.03 -4.18 3.54 2.88 -0.21 -4.77 113.62 112.36 1k85 n SER 634 Ca -0.15 -0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 56.88 1k85 n SER 634 Cb 0.53 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.16 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 -3.89 2.44 0.19 -1.46 0.00 -1.26 -4.77 121.76 113.02 1k85 s ALA 635 Ca 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1k85 s ALA 635 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.40 1k85 s ALA 635 CO 0.00 -2.33 0.56 0.00 0.00 0.00 0.00 175.76 173.99 1k85 s ALA 636 N -3.79 3.56 1.02 0.00 0.00 -1.26 -4.47 121.76 116.82 1k85 s ALA 636 Ca 0.73 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1k85 s ALA 636 Cb -0.04 -2.49 0.17 0.00 0.00 0.00 0.00 23.12 20.76 1k85 s ALA 636 CO 0.52 0.47 0.94 0.45 0.00 0.00 0.00 175.76 178.15 1k85 n SER 637 N 0.33 -0.18 -4.77 0.00 2.88 -0.23 -4.93 113.62 106.71 1k85 n SER 637 Ca -0.02 -1.30 -0.39 0.00 -1.33 0.00 0.00 58.87 55.82 1k85 n SER 637 Cb 0.52 -0.74 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 -4.41 6.25 -0.23 -3.46 3.04 -1.26 -4.68 114.94 110.19 1k85 s ASN 638 Ca 0.54 2.69 -0.29 0.00 0.04 0.00 0.00 52.86 55.84 1k85 s ASN 638 Cb -0.02 -2.64 0.01 0.00 -1.54 0.00 0.00 41.25 37.06 1k85 s ASN 638 CO 0.39 -0.89 1.04 0.00 -3.04 0.00 0.00 177.10 174.59 1k85 s ALA 639 N -1.26 3.69 -0.22 1.71 0.00 -1.26 -4.56 121.76 119.86 1k85 s ALA 639 Ca 0.57 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 1k85 s ALA 639 Cb -0.39 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 1k85 s ALA 639 CO 0.50 -1.05 0.14 0.54 0.00 0.00 0.00 175.76 175.89 1k85 s VAL 640 N 3.20 5.34 -0.65 0.00 0.11 -0.83 -4.89 120.40 122.68 1k85 s VAL 640 Ca 0.44 0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 59.57 1k85 s VAL 640 Cb -0.15 -3.47 0.17 0.00 -1.53 0.00 0.00 36.38 31.40 1k85 s VAL 640 CO 0.06 0.38 0.53 -0.55 -3.33 0.00 0.00 175.10 172.19 1k85 s SER 641 N 0.79 5.91 0.16 3.54 0.15 -1.25 -1.86 113.70 121.15 1k85 s SER 641 Ca 0.07 -2.52 0.02 0.00 0.70 0.00 0.00 55.95 54.23 1k85 s SER 641 Cb -0.13 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1k85 s SER 641 CO 0.02 -0.54 0.30 0.68 1.20 0.00 0.00 173.24 174.90 1k85 s VAL 642 N 0.44 5.31 -0.23 4.45 -7.23 -0.88 -4.92 120.40 117.35 1k85 s VAL 642 Ca 0.14 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1k85 s VAL 642 Cb -0.19 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 33.01 1k85 s VAL 642 CO -0.04 -0.13 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.01 1k85 s LYS 643 N -3.32 3.11 0.00 4.82 1.02 -1.26 -2.47 119.74 121.64 1k85 s LYS 643 Ca 0.35 -0.79 0.31 0.00 0.02 0.00 0.00 55.97 55.86 1k85 s LYS 643 Cb -0.11 -2.94 1.68 0.00 -0.52 0.00 0.00 37.83 35.94 1k85 s LYS 643 CO 0.29 -0.28 2.10 0.25 -0.92 0.00 0.00 175.35 176.79