#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 -1.58 1.57 0.00 -1.26 -4.86 117.12 111.00 1k85 n MET 558 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 57.70 57.21 1k85 n MET 558 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 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 0.33 -0.84 -1.17 3.04 0.00 -1.26 -4.93 120.51 115.69 1k85 n ALA 559 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1k85 n ALA 559 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 1.74 1.55 -4.96 0.00 -0.04 -1.26 -5.02 135.00 127.00 1k85 n PRO 560 Ca 0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 1k85 n PRO 560 Cb 0.24 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.35 2.75 0.11 0.52 2.01 -1.26 -4.63 115.64 115.50 1k85 s THR 561 Ca 0.00 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 1k85 s THR 561 Cb 0.00 -2.10 -0.09 0.00 0.01 0.00 0.00 72.50 70.32 1k85 s THR 561 CO 0.00 0.56 1.62 0.00 -0.69 0.00 0.00 174.62 176.10 1k85 s ALA 562 N -0.07 3.73 1.01 7.40 0.00 -1.26 -4.54 121.76 128.03 1k85 s ALA 562 Ca -0.04 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1k85 s ALA 562 Cb -0.14 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.32 1k85 s ALA 562 CO 0.04 -0.95 -0.06 -2.30 0.00 0.00 0.00 175.76 172.48 1k85 n PRO 563 N 4.85 -0.60 -3.59 0.00 -0.02 -1.26 -4.93 135.00 129.44 1k85 n PRO 563 Ca 0.15 -0.15 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1k85 n PRO 563 Cb 0.40 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.22 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 -2.26 0.05 -1.24 3.45 -1.32 -1.25 -4.34 115.64 108.73 1k85 s THR 564 Ca 0.52 -0.41 -0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1k85 s THR 564 Cb -0.15 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 1k85 s THR 564 CO 0.69 -0.23 0.93 0.59 -2.21 0.00 0.00 174.62 174.39 1k85 n ASN 565 N -0.05 -1.95 -4.78 8.08 4.13 -1.26 -2.55 115.26 116.87 1k85 n ASN 565 Ca -0.17 -0.67 -0.32 0.00 1.68 0.00 0.00 54.58 55.10 1k85 n ASN 565 Cb 0.63 -4.84 0.07 0.00 -1.54 0.00 0.00 39.78 34.10 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 -6.48 3.17 0.32 3.41 2.96 -1.26 -4.31 118.68 116.49 1k85 s LEU 566 Ca 0.02 1.82 -0.19 0.00 -0.22 0.00 0.00 54.13 55.57 1k85 s LEU 566 Cb -0.01 -4.52 0.04 0.00 0.50 0.00 0.00 46.19 42.20 1k85 s LEU 566 CO 0.75 -1.76 0.77 0.00 -1.32 0.00 0.00 176.35 174.79 1k85 s ALA 567 N -2.77 -1.02 0.01 5.97 0.00 0.09 -4.97 121.76 119.08 1k85 s ALA 567 Ca 0.62 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1k85 s ALA 567 Cb -0.17 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1k85 s ALA 567 CO 0.51 -1.02 -0.14 0.45 0.00 0.00 0.00 175.76 175.57 1k85 s SER 568 N -3.01 1.61 0.00 0.00 0.15 -1.26 -1.02 113.70 110.17 1k85 s SER 568 Ca 0.13 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1k85 s SER 568 Cb -0.05 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1k85 s SER 568 CO 0.09 0.10 0.00 0.35 1.20 0.00 0.00 173.24 174.98 1k85 n THR 569 N 2.34 0.00 -2.88 6.45 -2.24 -0.76 -4.95 114.28 112.23 1k85 n THR 569 Ca -0.16 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1k85 n THR 569 Cb 0.55 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.80 3.20 -0.44 6.98 0.00 -1.26 -4.91 121.76 122.53 1k85 s ALA 570 Ca 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 51.96 49.78 1k85 s ALA 570 Cb 0.00 -3.92 0.12 0.00 0.00 0.00 0.00 23.12 19.32 1k85 s ALA 570 CO 0.00 -2.84 0.22 -0.65 0.00 0.00 0.00 175.76 172.48 1k85 s GLN 571 N 3.58 1.98 0.00 0.00 -0.21 -1.26 -0.55 119.66 123.20 1k85 s GLN 571 Ca 0.26 -2.02 0.00 0.00 0.02 0.00 0.00 55.36 53.62 1k85 s GLN 571 Cb -0.13 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1k85 s GLN 571 CO 0.03 -1.07 0.00 0.25 -2.12 0.00 0.00 175.29 172.39 1k85 n THR 572 N 4.21 0.00 -0.09 -0.19 -2.24 -0.14 -4.97 114.28 110.87 1k85 n THR 572 Ca 0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1k85 n THR 572 Cb 0.40 -1.37 0.16 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.49 1.81 0.00 4.28 -2.24 -1.26 -4.41 114.28 111.97 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 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.02 0.00 -4.94 3.42 3.41 -1.24 -4.32 113.62 109.93 1k85 n SER 574 Ca 0.23 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 1k85 n SER 574 Cb 0.94 0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 65.25 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 -1.95 6.17 -0.16 4.04 1.04 -1.26 -1.45 113.70 120.13 1k85 s SER 575 Ca 0.00 0.00 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 1k85 s SER 575 Cb 0.00 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.40 1k85 s SER 575 CO 0.00 -0.07 0.40 -0.51 0.98 0.00 0.00 173.24 174.04 1k85 s ILE 576 N -2.01 -0.01 -0.16 -1.02 2.07 -0.77 -0.97 121.20 118.33 1k85 s ILE 576 Ca 0.34 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1k85 s ILE 576 Cb -0.09 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 1k85 s ILE 576 CO 0.28 0.01 0.02 -0.89 -1.91 0.00 0.00 174.94 172.45 1k85 s THR 577 N 0.56 4.39 -0.11 4.00 2.01 0.28 -1.99 115.64 124.78 1k85 s THR 577 Ca -0.03 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1k85 s THR 577 Cb -0.04 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1k85 s THR 577 CO -0.03 0.49 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.95 1k85 s LEU 578 N 0.18 2.05 -0.10 4.42 2.96 -0.52 -1.83 118.68 125.84 1k85 s LEU 578 Ca 0.02 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1k85 s LEU 578 Cb -0.13 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1k85 s LEU 578 CO 0.02 0.12 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.43 1k85 s SER 579 N 0.54 2.57 0.21 3.68 0.15 -0.19 -1.02 113.70 119.63 1k85 s SER 579 Ca -0.14 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 1k85 s SER 579 Cb -0.17 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 1k85 s SER 579 CO 0.05 0.08 0.15 -1.66 1.20 0.00 0.00 173.24 173.06 1k85 s TRP 580 N 0.64 1.13 -0.16 3.44 -2.14 -1.23 -0.73 118.94 119.89 1k85 s TRP 580 Ca -0.13 -1.35 -0.29 0.00 2.66 0.00 0.00 56.10 56.98 1k85 s TRP 580 Cb -0.16 -0.52 -0.00 0.00 -3.10 0.00 0.00 33.47 29.68 1k85 s TRP 580 CO 0.04 -0.66 1.04 0.99 -2.66 0.00 0.00 176.95 175.69 1k85 s THR 581 N -4.14 4.70 0.97 0.66 2.01 -1.06 -4.91 115.64 113.87 1k85 s THR 581 Ca 0.38 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 64.27 1k85 s THR 581 Cb 0.06 -4.29 0.18 0.00 0.01 0.00 0.00 72.50 68.46 1k85 s THR 581 CO 0.12 -0.08 1.11 0.00 -0.69 0.00 0.00 174.62 175.09 1k85 s ALA 582 N 2.56 1.01 0.71 7.40 0.00 -1.26 -3.92 121.76 128.25 1k85 s ALA 582 Ca 0.47 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1k85 s ALA 582 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1k85 s ALA 582 CO 0.13 -2.97 1.08 -1.12 0.00 0.00 0.00 175.76 172.88 1k85 s SER 583 N -2.71 4.99 -0.05 0.00 0.01 -1.26 -4.92 113.70 109.76 1k85 s SER 583 Ca 0.67 1.82 0.04 0.00 1.31 0.00 0.00 55.95 59.79 1k85 s SER 583 Cb -0.23 -2.52 0.20 0.00 0.21 0.00 0.00 66.02 63.68 1k85 s SER 583 CO 0.60 -1.71 0.91 0.41 0.41 0.00 0.00 173.24 173.85 1k85 n THR 584 N -3.00 0.61 -2.72 1.44 -1.04 -1.26 -3.74 114.28 104.56 1k85 n THR 584 Ca 0.09 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.05 61.71 1k85 n THR 584 Cb 0.53 -0.30 0.04 0.00 -1.82 0.00 0.00 70.33 68.78 1k85 n THR 584 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k85 n ASP 585 N 0.14 1.76 0.10 8.00 2.03 -1.26 -4.88 116.55 122.44 1k85 n ASP 585 Ca 0.07 -2.42 0.07 0.00 0.52 0.00 0.00 54.79 53.03 1k85 n ASP 585 Cb 0.41 -0.49 0.36 0.00 -0.72 0.00 0.00 41.12 40.68 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1k85 n ASN 586 N -0.39 0.34 0.00 1.67 0.23 -1.25 -1.41 115.26 114.46 1k85 n ASN 586 Ca 0.10 0.65 0.05 0.00 -0.53 0.00 0.00 54.58 54.86 1k85 n ASN 586 Cb 0.81 -0.70 0.24 0.00 -2.08 0.00 0.00 39.78 38.05 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1k85 n VAL 587 N -1.95 1.22 0.00 3.53 3.14 -1.26 -3.48 118.33 119.52 1k85 n VAL 587 Ca -0.01 0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1k85 n VAL 587 Cb 0.03 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k85 n GLY 588 N -0.34 0.00 3.76 7.55 0.00 -0.50 -5.08 105.19 110.58 1k85 n GLY 588 Ca 0.03 0.00 -0.38 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 -1.44 2.60 -0.03 1.61 1.01 -1.00 -4.13 120.40 119.02 1k85 s VAL 589 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1k85 s VAL 589 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1k85 s VAL 589 CO 0.00 0.01 -0.01 1.07 0.00 0.00 0.00 175.10 176.18 1k85 n THR 590 N -0.55 0.17 -3.88 3.92 5.66 -1.23 -4.88 114.28 113.48 1k85 n THR 590 Ca 0.08 -0.09 -0.08 0.00 -3.05 0.00 0.00 64.05 60.91 1k85 n THR 590 Cb 0.46 -0.79 -0.03 0.00 -1.55 0.00 0.00 70.33 68.41 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 -3.73 0.07 -0.12 1.09 0.00 -1.24 -4.69 107.32 98.71 1k85 s GLY 591 Ca -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1k85 s GLY 591 CO 0.09 -0.24 -0.19 -0.19 0.00 0.00 0.00 173.10 172.56 1k85 s TYR 592 N -3.94 2.30 -0.31 1.90 1.51 -0.35 -2.63 117.35 115.82 1k85 s TYR 592 Ca 0.14 -1.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.00 1k85 s TYR 592 Cb -0.04 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1k85 s TYR 592 CO 0.06 -0.51 0.20 -0.51 -1.11 0.00 0.00 175.55 173.68 1k85 s ASP 593 N 0.81 5.86 -0.11 2.29 1.11 0.52 -2.04 116.67 125.12 1k85 s ASP 593 Ca -0.09 -0.36 -0.08 0.00 0.18 0.00 0.00 52.55 52.21 1k85 s ASP 593 Cb -0.16 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1k85 s ASP 593 CO 0.00 -0.18 0.17 0.54 1.18 0.00 0.00 175.17 176.88 1k85 s VAL 594 N 1.69 5.46 0.01 -1.27 0.11 -1.09 -0.91 120.40 124.40 1k85 s VAL 594 Ca 0.06 0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1k85 s VAL 594 Cb -0.17 -3.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1k85 s VAL 594 CO 0.09 0.62 0.14 -0.31 -3.33 0.00 0.00 175.10 172.30 1k85 s TYR 595 N -1.03 3.41 -0.96 1.54 1.51 0.41 -2.45 117.35 119.78 1k85 s TYR 595 Ca 0.16 0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 56.38 1k85 s TYR 595 Cb -0.12 -1.77 0.24 0.00 -0.11 0.00 0.00 41.96 40.20 1k85 s TYR 595 CO 0.05 0.59 0.91 1.21 -1.11 0.00 0.00 175.55 177.20 1k85 s ASN 596 N -1.96 6.87 0.00 2.29 2.47 0.78 -2.27 114.94 123.12 1k85 s ASN 596 Ca 0.26 -3.22 0.00 0.00 0.42 0.00 0.00 52.86 50.32 1k85 s ASN 596 Cb -0.12 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1k85 s ASN 596 CO 0.18 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 1k85 n GLY 597 N 3.20 1.90 2.07 1.21 0.00 -0.52 -4.03 105.19 109.02 1k85 n GLY 597 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.89 2.61 -2.24 -1.26 -4.99 114.28 106.50 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 -0.31 0.14 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.00 2.38 0.47 6.98 0.00 -1.26 -4.93 121.76 123.41 1k85 s ALA 599 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1k85 s ALA 599 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 1k85 s ALA 599 CO 0.00 -2.11 0.91 -1.17 0.00 0.00 0.00 175.76 173.39 1k85 s LEU 600 N -5.77 3.72 0.04 0.00 0.20 -1.26 -0.16 118.68 115.45 1k85 s LEU 600 Ca 0.68 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.94 1k85 s LEU 600 Cb -0.07 -4.35 0.00 0.00 -0.43 0.00 0.00 46.19 41.34 1k85 s LEU 600 CO 0.51 -0.51 0.00 0.00 -0.29 0.00 0.00 176.35 176.07 1k85 n ALA 601 N -1.41 2.84 -2.44 5.97 0.00 -1.03 -4.63 120.51 119.82 1k85 n ALA 601 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1k85 n ALA 601 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1k85 n ALA 601 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k85 s THR 602 N -1.13 4.97 -0.35 0.00 2.01 -1.14 -5.02 115.64 114.97 1k85 s THR 602 Ca 0.00 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1k85 s THR 602 Cb 0.00 -3.74 0.14 0.00 0.01 0.00 0.00 72.50 68.92 1k85 s THR 602 CO 0.00 -0.38 0.22 -0.89 -0.69 0.00 0.00 174.62 172.88 1k85 s THR 603 N -2.17 0.13 0.35 -0.82 2.01 -1.26 -2.68 115.64 111.20 1k85 s THR 603 Ca 0.46 -1.74 0.05 0.00 0.31 0.00 0.00 61.69 60.76 1k85 s THR 603 Cb -0.11 -1.11 0.05 0.00 0.01 0.00 0.00 72.50 71.35 1k85 s THR 603 CO 0.31 -1.00 0.40 1.33 -0.69 0.00 0.00 174.62 174.97 1k85 n VAL 604 N 3.97 0.00 -0.19 3.82 0.24 -0.86 -4.99 118.33 120.32 1k85 n VAL 604 Ca 0.13 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1k85 n VAL 604 Cb 0.38 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 -1.59 0.00 0.00 3.34 -2.24 -1.26 -1.21 114.28 111.32 1k85 n THR 605 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1k85 n THR 605 Cb 0.38 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.48 0.49 3.38 0.00 -1.26 -4.52 105.19 104.76 1k85 n GLY 606 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.77 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 1.01 -4.21 2.61 -2.24 -1.26 -4.79 114.28 105.40 1k85 n THR 607 Ca 0.00 -1.01 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1k85 n THR 607 Cb 0.00 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.01 0.40 0.02 4.28 -4.23 -1.26 -3.53 115.64 110.31 1k85 s THR 608 Ca 0.18 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1k85 s THR 608 Cb 0.09 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 1k85 s THR 608 CO 0.12 -0.41 0.03 0.00 -0.54 0.00 0.00 174.62 173.83 1k85 s ALA 609 N -3.85 -0.02 -0.10 3.99 0.00 -0.18 -4.70 121.76 116.91 1k85 s ALA 609 Ca 0.26 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1k85 s ALA 609 Cb 0.07 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1k85 s ALA 609 CO 0.04 -0.20 -0.00 0.99 0.00 0.00 0.00 175.76 176.59 1k85 s THR 610 N -1.66 0.50 -0.26 0.00 2.01 -1.26 -1.43 115.64 113.54 1k85 s THR 610 Ca -0.14 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1k85 s THR 610 Cb -0.08 -0.70 0.05 0.00 0.01 0.00 0.00 72.50 71.79 1k85 s THR 610 CO -0.01 0.20 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.41 1k85 s ILE 611 N 1.91 2.48 0.15 1.82 1.09 -0.84 -4.93 121.20 122.89 1k85 s ILE 611 Ca 0.04 -1.41 0.05 0.00 -1.10 0.00 0.00 60.65 58.23 1k85 s ILE 611 Cb -0.13 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.85 1k85 s ILE 611 CO -0.06 0.04 0.12 -0.55 -0.10 0.00 0.00 174.94 174.39 1k85 s SER 612 N 1.19 5.47 0.00 3.58 0.15 -1.26 -1.85 113.70 120.98 1k85 s SER 612 Ca -0.05 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1k85 s SER 612 Cb -0.19 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 1k85 s SER 612 CO -0.05 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1k85 n GLY 613 N -0.19 1.56 3.75 9.45 0.00 -0.94 -4.96 105.19 113.87 1k85 n GLY 613 Ca -0.08 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 3.63 0.25 0.99 1.43 -0.53 -5.06 118.68 119.37 1k85 s LEU 614 Ca 0.00 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1k85 s LEU 614 Cb 0.00 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1k85 s LEU 614 CO 0.00 0.06 0.17 0.00 0.23 0.00 0.00 176.35 176.81 1k85 s ALA 615 N -1.83 3.54 0.79 4.21 0.00 -1.26 -3.66 121.76 123.54 1k85 s ALA 615 Ca 0.30 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 1k85 s ALA 615 Cb -0.09 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 21.95 1k85 s ALA 615 CO 0.22 0.25 1.09 0.00 0.00 0.00 0.00 175.76 177.32 1k85 s ALA 616 N -2.15 3.45 -1.79 0.00 0.00 -1.26 -4.40 121.76 115.60 1k85 s ALA 616 Ca 0.33 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1k85 s ALA 616 Cb -0.08 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1k85 s ALA 616 CO 0.24 -1.76 0.00 -3.47 0.00 0.00 0.00 175.76 170.77 1k85 n ASP 617 N -3.07 -5.68 -3.98 0.00 -0.08 -0.40 -4.97 116.55 98.36 1k85 n ASP 617 Ca 0.17 0.08 -0.09 0.00 -1.51 0.00 0.00 54.79 53.44 1k85 n ASP 617 Cb 0.60 -4.78 -0.11 0.00 2.34 0.00 0.00 41.12 39.17 1k85 n ASP 617 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1k85 s THR 618 N -2.96 0.11 -0.27 5.18 -4.23 -1.25 -5.04 115.64 107.19 1k85 s THR 618 Ca 0.00 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1k85 s THR 618 Cb 0.00 -0.32 -0.05 0.00 1.34 0.00 0.00 72.50 73.47 1k85 s THR 618 CO 0.00 -0.52 0.17 -0.44 -0.54 0.00 0.00 174.62 173.29 1k85 s SER 619 N -1.53 5.95 -0.13 3.99 0.01 -1.26 -2.65 113.70 118.08 1k85 s SER 619 Ca -0.15 -0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 1k85 s SER 619 Cb -0.09 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 1k85 s SER 619 CO -0.01 -0.02 -0.13 -0.31 0.41 0.00 0.00 173.24 173.17 1k85 s TYR 620 N 1.60 2.80 -0.22 2.43 2.02 -1.00 -4.99 117.35 119.99 1k85 s TYR 620 Ca 0.07 -0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1k85 s TYR 620 Cb -0.15 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1k85 s TYR 620 CO 0.09 -0.25 0.01 0.95 -1.57 0.00 0.00 175.55 174.78 1k85 s THR 621 N 0.41 3.90 0.34 -0.71 -4.23 -1.25 -2.26 115.64 111.84 1k85 s THR 621 Ca -0.10 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.17 1k85 s THR 621 Cb -0.16 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1k85 s THR 621 CO 0.05 0.40 0.15 -0.36 -0.54 0.00 0.00 174.62 174.32 1k85 s PHE 622 N 1.32 2.72 -0.02 3.99 0.40 -0.89 -1.44 117.98 124.07 1k85 s PHE 622 Ca 0.04 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1k85 s PHE 622 Cb -0.15 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.76 1k85 s PHE 622 CO 0.01 0.33 0.34 0.95 0.70 0.00 0.00 175.22 177.54 1k85 s THR 623 N -2.42 0.05 0.16 0.64 -4.23 -0.96 -1.71 115.64 107.17 1k85 s THR 623 Ca 0.38 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.55 1k85 s THR 623 Cb -0.03 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1k85 s THR 623 CO 0.23 -0.24 -0.18 0.68 -0.54 0.00 0.00 174.62 174.57 1k85 s VAL 624 N -1.32 2.77 -0.01 2.29 -7.23 -1.26 -0.45 120.40 115.20 1k85 s VAL 624 Ca -0.13 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1k85 s VAL 624 Cb -0.05 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1k85 s VAL 624 CO 0.05 -0.04 0.02 -0.54 -0.31 0.00 0.00 175.10 174.28 1k85 s LYS 625 N -2.53 0.03 -0.26 4.82 1.02 -0.08 -1.33 119.74 121.40 1k85 s LYS 625 Ca 0.21 0.04 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1k85 s LYS 625 Cb -0.09 0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.18 1k85 s LYS 625 CO 0.11 -0.01 0.22 0.00 -0.92 0.00 0.00 175.35 174.76 1k85 s ALA 626 N 0.03 3.56 -0.02 5.17 0.00 -1.26 -0.35 121.76 128.89 1k85 s ALA 626 Ca -0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1k85 s ALA 626 Cb -0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1k85 s ALA 626 CO -0.00 -0.43 -0.24 -1.59 0.00 0.00 0.00 175.76 173.50 1k85 s LYS 627 N 1.55 2.16 0.50 0.00 0.00 -1.08 -2.17 119.74 120.69 1k85 s LYS 627 Ca 0.09 -0.90 0.08 0.00 0.00 0.00 0.00 55.97 55.23 1k85 s LYS 627 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 37.83 35.61 1k85 s LYS 627 CO 0.09 0.57 0.52 -0.51 0.00 0.00 0.00 175.35 176.01 1k85 s ASP 628 N -0.70 5.00 -0.03 0.03 1.11 -0.77 -3.55 116.67 117.75 1k85 s ASP 628 Ca 0.11 -0.90 0.05 0.00 0.18 0.00 0.00 52.55 51.98 1k85 s ASP 628 Cb -0.10 -0.03 0.19 0.00 1.07 0.00 0.00 42.92 44.04 1k85 s ASP 628 CO -0.00 -0.99 0.96 0.00 1.18 0.00 0.00 175.17 176.32 1k85 n ALA 629 N -1.84 2.67 0.04 5.23 0.00 -1.26 -3.27 120.51 122.09 1k85 n ALA 629 Ca 0.06 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1k85 n ALA 629 Cb 0.62 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.15 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 0.10 2.26 -0.99 0.00 0.00 -1.26 -4.96 120.51 115.65 1k85 n ALA 630 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1k85 n ALA 630 Cb 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.32 0.51 3.61 0.00 0.00 -1.20 -5.02 105.19 103.40 1k85 n GLY 631 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.01 5.80 -0.03 1.61 -0.87 -1.26 -4.97 114.94 113.21 1k85 s ASN 632 Ca 0.00 0.04 0.05 0.00 -1.57 0.00 0.00 52.86 51.38 1k85 s ASN 632 Cb 0.00 -2.03 -0.01 0.00 -0.02 0.00 0.00 41.25 39.19 1k85 s ASN 632 CO 0.00 0.07 -0.17 0.54 -2.57 0.00 0.00 177.10 174.98 1k85 s VAL 633 N 0.98 1.34 0.00 1.60 0.11 -1.26 -1.84 120.40 121.33 1k85 s VAL 633 Ca 0.06 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1k85 s VAL 633 Cb -0.14 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1k85 s VAL 633 CO 0.03 0.38 0.00 -0.24 -3.33 0.00 0.00 175.10 171.95 1k85 n SER 634 N 2.88 -0.22 -4.05 3.54 2.88 -0.92 -4.92 113.62 112.81 1k85 n SER 634 Ca -0.16 -0.64 -0.30 0.00 -1.33 0.00 0.00 58.87 56.44 1k85 n SER 634 Cb 0.54 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.19 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 -3.71 2.20 0.18 -1.46 0.00 -1.26 -4.76 121.76 112.95 1k85 s ALA 635 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1k85 s ALA 635 Cb 0.00 -2.75 -0.07 0.00 0.00 0.00 0.00 23.12 20.30 1k85 s ALA 635 CO 0.00 -2.52 0.56 0.00 0.00 0.00 0.00 175.76 173.80 1k85 s ALA 636 N -3.92 3.56 0.92 0.00 0.00 -1.26 -4.53 121.76 116.53 1k85 s ALA 636 Ca 0.75 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 636 Cb -0.03 -2.51 0.16 0.00 0.00 0.00 0.00 23.12 20.74 1k85 s ALA 636 CO 0.53 0.47 1.25 0.45 0.00 0.00 0.00 175.76 178.46 1k85 s SER 637 N -1.96 3.50 0.60 0.00 0.15 -0.44 -4.94 113.70 110.61 1k85 s SER 637 Ca 0.42 0.51 -0.20 0.00 0.70 0.00 0.00 55.95 57.38 1k85 s SER 637 Cb -0.13 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 1k85 s SER 637 CO 0.20 -2.52 1.29 -3.20 1.20 0.00 0.00 173.24 170.21 1k85 n ASN 638 N -3.67 2.20 -4.69 5.45 5.15 -1.26 -4.58 115.26 113.86 1k85 n ASN 638 Ca 0.12 0.89 -0.42 0.00 -0.60 0.00 0.00 54.58 54.57 1k85 n ASN 638 Cb 0.60 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.27 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1k85 s ALA 639 N -1.35 3.36 -0.16 5.20 0.00 -1.26 -4.61 121.76 122.94 1k85 s ALA 639 Ca 0.77 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1k85 s ALA 639 Cb -0.40 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1k85 s ALA 639 CO 0.45 -0.48 0.15 0.54 0.00 0.00 0.00 175.76 176.43 1k85 s VAL 640 N 1.68 5.43 -0.34 0.00 0.11 -0.69 -4.89 120.40 121.70 1k85 s VAL 640 Ca 0.47 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.66 1k85 s VAL 640 Cb -0.19 -3.46 0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1k85 s VAL 640 CO 0.19 0.51 0.19 -0.44 -3.33 0.00 0.00 175.10 172.22 1k85 s SER 641 N -0.20 5.68 -0.08 3.54 0.01 -1.26 -2.10 113.70 119.29 1k85 s SER 641 Ca 0.12 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.71 1k85 s SER 641 Cb -0.12 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1k85 s SER 641 CO 0.01 -0.28 -0.20 0.68 0.41 0.00 0.00 173.24 173.86 1k85 s VAL 642 N 1.60 1.75 -0.36 3.43 -7.23 -0.96 -5.01 120.40 113.62 1k85 s VAL 642 Ca 0.04 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 1k85 s VAL 642 Cb -0.18 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 1k85 s VAL 642 CO 0.07 0.49 0.45 -0.75 -0.31 0.00 0.00 175.10 175.05 1k85 s LYS 643 N 0.32 3.49 0.00 4.82 2.20 -1.26 -2.36 119.74 126.95 1k85 s LYS 643 Ca -0.14 -0.37 0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1k85 s LYS 643 Cb -0.16 -3.84 1.34 0.00 -1.51 0.00 0.00 37.83 33.65 1k85 s LYS 643 CO 0.06 -0.65 1.91 0.25 -0.36 0.00 0.00 175.35 176.55