#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 -1.96 1.57 -0.00 -1.26 -5.11 117.12 110.35 1k85 n MET 558 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 1k85 n MET 558 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 33.22 33.22 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 s ALA 559 N -1.80 3.41 1.21 3.17 0.00 -1.26 -4.98 121.76 121.51 1k85 s ALA 559 Ca 0.00 1.37 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 1k85 s ALA 559 Cb 0.00 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.87 1k85 s ALA 559 CO 0.00 -0.89 1.05 -0.35 0.00 0.00 0.00 175.76 175.56 1k85 n PRO 560 N 0.35 -2.85 -3.50 0.00 -0.04 -1.26 -4.96 135.00 122.74 1k85 n PRO 560 Ca 0.02 -1.67 -0.38 0.00 -0.04 0.00 0.00 63.50 61.44 1k85 n PRO 560 Cb 0.42 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1k85 n PRO 560 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1k85 s THR 561 N -2.94 5.14 0.15 0.52 -4.23 -1.26 -4.36 115.64 108.66 1k85 s THR 561 Ca 0.67 0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 61.63 1k85 s THR 561 Cb -0.06 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 69.99 1k85 s THR 561 CO 0.51 0.51 1.58 0.00 -0.54 0.00 0.00 174.62 176.68 1k85 s ALA 562 N -0.53 3.77 0.25 3.99 0.00 -1.26 -4.60 121.76 123.39 1k85 s ALA 562 Ca 0.22 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.26 1k85 s ALA 562 Cb -0.15 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 1k85 s ALA 562 CO 0.11 -0.82 0.80 -2.30 0.00 0.00 0.00 175.76 173.54 1k85 n PRO 563 N 4.17 0.79 -4.36 0.00 -0.02 -1.26 -4.94 135.00 129.37 1k85 n PRO 563 Ca 0.14 0.28 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 1k85 n PRO 563 Cb 0.39 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.04 2.02 -0.97 3.45 -1.32 -1.25 -4.46 115.64 112.06 1k85 s THR 564 Ca 0.61 -1.88 -0.05 0.00 -1.21 0.00 0.00 61.69 59.16 1k85 s THR 564 Cb -0.79 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1k85 s THR 564 CO 0.58 -0.18 0.86 -3.20 -2.21 0.00 0.00 174.62 170.48 1k85 n ASN 565 N 0.46 -6.95 -4.88 8.08 2.85 -1.26 -1.84 115.26 111.73 1k85 n ASN 565 Ca -0.14 -0.55 -0.30 0.00 -0.11 0.00 0.00 54.58 53.48 1k85 n ASN 565 Cb 0.56 -5.24 -0.00 0.00 1.24 0.00 0.00 39.78 36.34 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1k85 s LEU 566 N -5.04 3.43 0.32 1.20 2.96 -1.26 -3.82 118.68 116.46 1k85 s LEU 566 Ca 0.34 1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 55.36 1k85 s LEU 566 Cb -0.05 -4.28 0.05 0.00 0.50 0.00 0.00 46.19 42.41 1k85 s LEU 566 CO 0.74 -0.72 0.81 0.00 -1.32 0.00 0.00 176.35 175.86 1k85 s ALA 567 N -2.94 -1.01 -0.10 5.97 0.00 0.18 -4.96 121.76 118.91 1k85 s ALA 567 Ca 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1k85 s ALA 567 Cb -0.11 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1k85 s ALA 567 CO 0.47 -1.01 -0.08 -1.54 0.00 0.00 0.00 175.76 173.60 1k85 s SER 568 N -3.06 1.96 0.00 0.00 1.04 -1.26 -1.66 113.70 110.72 1k85 s SER 568 Ca 0.15 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1k85 s SER 568 Cb -0.05 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1k85 s SER 568 CO 0.09 -0.09 0.00 0.35 0.98 0.00 0.00 173.24 174.57 1k85 n THR 569 N 4.68 0.00 -2.82 2.02 -2.24 -0.35 -4.90 114.28 110.67 1k85 n THR 569 Ca -0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 1k85 n THR 569 Cb 0.50 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -4.32 3.11 -0.36 6.98 0.00 -1.25 -4.90 121.76 121.02 1k85 s ALA 570 Ca 0.00 -2.06 -0.00 0.00 0.00 0.00 0.00 51.96 49.90 1k85 s ALA 570 Cb 0.00 -4.00 0.09 0.00 0.00 0.00 0.00 23.12 19.22 1k85 s ALA 570 CO 0.00 -2.94 0.10 -0.65 0.00 0.00 0.00 175.76 172.27 1k85 s GLN 571 N 3.96 1.94 0.00 0.00 -0.21 -1.26 0.28 119.66 124.37 1k85 s GLN 571 Ca 0.28 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 53.95 1k85 s GLN 571 Cb -0.12 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1k85 s GLN 571 CO 0.04 -0.92 0.00 0.25 -2.12 0.00 0.00 175.29 172.54 1k85 n THR 572 N 4.49 0.00 1.26 -0.19 -2.24 -0.52 -4.96 114.28 112.11 1k85 n THR 572 Ca -0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 1k85 n THR 572 Cb 0.42 -0.69 0.40 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.17 0.00 4.28 -2.24 -1.26 -4.57 114.28 110.66 1k85 n THR 573 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1k85 n THR 573 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.33 0.00 -4.62 3.42 3.41 -1.26 -3.50 113.62 111.40 1k85 n SER 574 Ca 0.17 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.41 1k85 n SER 574 Cb 0.35 0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.03 6.07 0.12 4.04 1.04 -1.26 -3.84 113.70 116.84 1k85 s SER 575 Ca 0.00 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.56 1k85 s SER 575 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1k85 s SER 575 CO 0.00 0.00 -0.16 -0.51 0.98 0.00 0.00 173.24 173.55 1k85 s ILE 576 N 1.44 2.97 -0.18 -1.02 2.07 -1.07 -1.44 121.20 123.96 1k85 s ILE 576 Ca 0.07 -1.46 0.01 0.00 -1.41 0.00 0.00 60.65 57.86 1k85 s ILE 576 Cb -0.15 -2.37 0.02 0.00 0.13 0.00 0.00 42.46 40.09 1k85 s ILE 576 CO 0.08 0.09 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.12 1k85 s THR 577 N -1.19 2.04 -0.12 4.00 2.01 0.14 -2.62 115.64 119.91 1k85 s THR 577 Ca 0.19 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1k85 s THR 577 Cb -0.11 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1k85 s THR 577 CO 0.11 0.50 0.02 -0.22 -0.69 0.00 0.00 174.62 174.34 1k85 s LEU 578 N 1.29 3.66 -0.10 4.42 2.96 -0.67 -1.21 118.68 129.03 1k85 s LEU 578 Ca 0.04 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1k85 s LEU 578 Cb -0.13 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1k85 s LEU 578 CO -0.12 0.31 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.18 1k85 s SER 579 N -0.45 2.12 0.21 3.68 1.04 -0.66 -1.52 113.70 118.12 1k85 s SER 579 Ca 0.09 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1k85 s SER 579 Cb -0.12 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 1k85 s SER 579 CO 0.02 -0.07 0.11 -1.66 0.98 0.00 0.00 173.24 172.62 1k85 s TRP 580 N 1.41 1.24 0.28 5.02 -2.14 -0.95 -0.65 118.94 123.15 1k85 s TRP 580 Ca -0.00 -1.31 -0.18 0.00 2.66 0.00 0.00 56.10 57.27 1k85 s TRP 580 Cb -0.13 -0.65 -0.09 0.00 -3.10 0.00 0.00 33.47 29.50 1k85 s TRP 580 CO -0.05 -0.55 0.75 0.99 -2.66 0.00 0.00 176.95 175.43 1k85 s THR 581 N -4.04 4.60 1.05 0.66 2.01 -0.77 -4.78 115.64 114.37 1k85 s THR 581 Ca 0.37 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 1k85 s THR 581 Cb 0.07 -3.74 0.22 0.00 0.01 0.00 0.00 72.50 69.07 1k85 s THR 581 CO 0.12 -0.00 1.07 0.00 -0.69 0.00 0.00 174.62 175.11 1k85 s ALA 582 N -1.77 0.43 -1.78 7.40 0.00 -1.26 -3.81 121.76 120.96 1k85 s ALA 582 Ca 0.49 -0.16 0.28 0.00 0.00 0.00 0.00 51.96 52.58 1k85 s ALA 582 Cb -0.13 -3.21 1.60 0.00 0.00 0.00 0.00 23.12 21.38 1k85 s ALA 582 CO 0.19 -3.22 2.02 0.45 0.00 0.00 0.00 175.76 175.20 1k85 n SER 583 N -4.47 0.00 -1.69 0.00 2.88 -1.26 -4.64 113.62 104.44 1k85 n SER 583 Ca 0.05 -0.60 -0.21 0.00 -1.33 0.00 0.00 58.87 56.78 1k85 n SER 583 Cb 0.55 -0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1k85 n SER 583 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1k85 n THR 584 N -1.11 -0.14 -2.94 2.46 -1.04 -1.26 -4.56 114.28 105.69 1k85 n THR 584 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1k85 n THR 584 Cb 0.14 -2.11 -0.01 0.00 -1.82 0.00 0.00 70.33 66.53 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k85 n ASP 585 N -1.40 -2.19 -1.61 8.00 8.00 -1.26 -4.99 116.55 121.10 1k85 n ASP 585 Ca -0.21 -2.89 -0.11 0.00 0.71 0.00 0.00 54.79 52.29 1k85 n ASP 585 Cb 0.68 0.98 0.05 0.00 -0.02 0.00 0.00 41.12 42.81 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1k85 n ASN 586 N 2.33 4.44 -0.23 -2.24 5.15 -1.26 -4.15 115.26 119.29 1k85 n ASN 586 Ca 0.18 -2.74 0.15 0.00 -0.60 0.00 0.00 54.58 51.57 1k85 n ASN 586 Cb 0.56 -0.80 0.68 0.00 -0.53 0.00 0.00 39.78 39.68 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1k85 n VAL 587 N 0.14 0.00 0.00 3.44 0.31 -1.26 -4.46 118.33 116.50 1k85 n VAL 587 Ca 0.23 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1k85 n VAL 587 Cb 0.80 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 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 1.15 0.00 3.72 2.92 0.00 -1.26 -5.08 105.19 106.65 1k85 n GLY 588 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1k85 n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k85 n VAL 589 N -0.29 3.88 0.00 1.61 0.31 -1.26 -1.33 118.33 121.24 1k85 n VAL 589 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1k85 n VAL 589 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1k85 n VAL 589 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1k85 n THR 590 N -1.16 0.00 -3.83 2.52 -2.24 -0.81 -4.79 114.28 103.97 1k85 n THR 590 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1k85 n THR 590 Cb 0.45 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.19 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 -4.00 0.33 -0.16 3.38 0.00 -1.23 -4.74 107.32 100.90 1k85 s GLY 591 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1k85 s GLY 591 CO 0.00 -0.30 -0.16 -0.19 0.00 0.00 0.00 173.10 172.45 1k85 s TYR 592 N -2.61 2.36 -0.27 1.90 1.51 0.00 -2.51 117.35 117.72 1k85 s TYR 592 Ca 0.15 -1.35 -0.11 0.00 -1.01 0.00 0.00 57.07 54.75 1k85 s TYR 592 Cb -0.05 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1k85 s TYR 592 CO 0.11 -0.71 0.19 -0.51 -1.11 0.00 0.00 175.55 173.52 1k85 s ASP 593 N 1.41 6.05 -0.11 2.29 1.11 0.66 -1.86 116.67 126.22 1k85 s ASP 593 Ca 0.05 0.03 -0.06 0.00 0.18 0.00 0.00 52.55 52.74 1k85 s ASP 593 Cb -0.13 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 1k85 s ASP 593 CO -0.11 -0.03 0.13 0.54 1.18 0.00 0.00 175.17 176.87 1k85 s VAL 594 N 1.64 5.39 0.45 -1.27 0.11 -1.13 -0.62 120.40 124.97 1k85 s VAL 594 Ca 0.07 0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.34 1k85 s VAL 594 Cb -0.16 -3.35 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1k85 s VAL 594 CO 0.10 0.60 0.61 -0.31 -3.33 0.00 0.00 175.10 172.77 1k85 s TYR 595 N -1.03 2.70 -0.37 1.54 1.51 0.57 -1.00 117.35 121.26 1k85 s TYR 595 Ca 0.16 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1k85 s TYR 595 Cb -0.12 -2.41 0.15 0.00 -0.11 0.00 0.00 41.96 39.47 1k85 s TYR 595 CO 0.05 -0.54 0.26 1.21 -1.11 0.00 0.00 175.55 175.42 1k85 s ASN 596 N -4.39 2.34 0.00 2.29 3.04 0.53 -3.17 114.94 115.58 1k85 s ASN 596 Ca 0.56 -2.49 0.00 0.00 0.04 0.00 0.00 52.86 50.97 1k85 s ASN 596 Cb -0.10 -0.37 0.00 0.00 -1.54 0.00 0.00 41.25 39.24 1k85 s ASN 596 CO 0.34 -0.26 0.00 0.61 -3.04 0.00 0.00 177.10 174.75 1k85 n GLY 597 N 3.61 2.09 0.00 1.21 0.00 -0.91 -3.11 105.19 108.08 1k85 n GLY 597 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.16 2.61 -2.24 -1.26 -5.09 114.28 103.14 1k85 n THR 598 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1k85 n THR 598 Cb 0.00 0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 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 2.28 0.59 6.98 0.00 -1.18 -5.11 121.76 125.32 1k85 s ALA 599 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 1k85 s ALA 599 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1k85 s ALA 599 CO 0.00 0.54 0.99 -0.11 0.00 0.00 0.00 175.76 177.18 1k85 n LEU 600 N 2.29 3.75 0.00 0.00 7.94 -1.26 -0.35 117.00 129.37 1k85 n LEU 600 Ca -0.16 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1k85 n LEU 600 Cb 0.51 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1k85 n LEU 600 CO 0.24 -1.77 0.00 0.00 -1.11 0.00 0.00 177.39 174.75 1k85 n ALA 601 N -1.63 0.00 -2.01 1.96 0.00 -0.17 -4.66 120.51 114.00 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 0.47 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 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 1.75 2.80 -0.09 0.00 -1.32 -1.25 -4.96 115.64 112.57 1k85 s THR 602 Ca 0.00 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.98 1k85 s THR 602 Cb 0.00 -3.09 0.03 0.00 -1.51 0.00 0.00 72.50 67.92 1k85 s THR 602 CO 0.00 -0.08 -0.04 0.42 -2.21 0.00 0.00 174.62 172.71 1k85 s THR 603 N -2.88 0.72 0.08 5.08 -4.23 -1.26 -2.83 115.64 110.32 1k85 s THR 603 Ca 0.57 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1k85 s THR 603 Cb -0.10 -0.79 -0.00 0.00 1.34 0.00 0.00 72.50 72.94 1k85 s THR 603 CO 0.40 0.31 0.01 1.33 -0.54 0.00 0.00 174.62 176.14 1k85 n VAL 604 N 4.90 0.00 -0.01 2.29 0.24 -0.78 -4.99 118.33 119.99 1k85 n VAL 604 Ca -0.12 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1k85 n VAL 604 Cb 0.50 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.19 0.00 0.00 3.34 -2.24 -1.26 -0.82 114.28 113.11 1k85 n THR 605 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1k85 n THR 605 Cb 0.11 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.80 0.61 3.38 0.00 -1.26 -4.62 105.19 105.09 1k85 n GLY 606 Ca 0.00 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 1.25 -4.17 2.61 -2.24 -1.26 -4.75 114.28 105.71 1k85 n THR 607 Ca 0.00 -1.18 -0.15 0.00 -2.27 0.00 0.00 64.05 60.45 1k85 n THR 607 Cb 0.00 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.36 0.95 -0.01 4.28 -4.23 -1.26 -2.24 115.64 111.76 1k85 s THR 608 Ca 0.24 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1k85 s THR 608 Cb 0.15 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.72 1k85 s THR 608 CO 0.13 -0.50 -0.04 0.00 -0.54 0.00 0.00 174.62 173.67 1k85 s ALA 609 N -2.21 0.41 -0.24 3.99 0.00 -0.57 -4.69 121.76 118.45 1k85 s ALA 609 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1k85 s ALA 609 Cb -0.04 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1k85 s ALA 609 CO 0.00 0.05 -0.11 0.99 0.00 0.00 0.00 175.76 176.69 1k85 s THR 610 N 0.26 2.36 -0.01 0.00 2.01 -1.26 -1.67 115.64 117.32 1k85 s THR 610 Ca -0.03 -1.35 0.01 0.00 0.31 0.00 0.00 61.69 60.64 1k85 s THR 610 Cb -0.06 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1k85 s THR 610 CO -0.00 0.13 0.01 -0.63 -0.69 0.00 0.00 174.62 173.44 1k85 s ILE 611 N 1.20 4.25 0.00 1.82 1.01 -1.08 -4.80 121.20 123.61 1k85 s ILE 611 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1k85 s ILE 611 Cb -0.18 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1k85 s ILE 611 CO -0.06 0.41 0.00 -1.20 0.00 0.00 0.00 174.94 174.08 1k85 n SER 612 N 1.48 0.25 0.00 3.58 7.64 -1.26 -2.61 113.62 122.70 1k85 n SER 612 Ca -0.15 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1k85 n SER 612 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1k85 n SER 612 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k85 n GLY 613 N 5.00 1.18 2.52 0.23 0.00 -1.25 -4.80 105.19 108.06 1k85 n GLY 613 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -5.83 -4.61 0.99 4.32 -1.26 -4.18 117.00 106.44 1k85 n LEU 614 Ca 0.00 2.34 -0.43 0.00 -0.02 0.00 0.00 56.01 57.90 1k85 n LEU 614 Cb 0.00 -3.03 -0.02 0.00 -1.62 0.00 0.00 43.42 38.75 1k85 n LEU 614 CO 0.00 -3.41 1.41 0.00 -1.22 0.00 0.00 177.39 174.17 1k85 s ALA 615 N -0.54 3.05 1.05 -1.18 0.00 -1.26 -4.23 121.76 118.64 1k85 s ALA 615 Ca -0.14 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1k85 s ALA 615 Cb 0.01 -3.94 0.15 0.00 0.00 0.00 0.00 23.12 19.34 1k85 s ALA 615 CO 0.39 -2.34 0.67 0.00 0.00 0.00 0.00 175.76 174.48 1k85 n ALA 616 N 9.33 -2.64 -2.21 0.00 0.00 -1.23 -3.12 120.51 120.64 1k85 n ALA 616 Ca 0.20 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.51 1k85 n ALA 616 Cb 0.46 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 1k85 n ALA 616 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k85 n ASP 617 N -3.18 -5.76 -3.84 0.00 8.00 -0.98 -4.96 116.55 105.83 1k85 n ASP 617 Ca 0.05 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 1k85 n ASP 617 Cb 0.55 -4.86 -0.14 0.00 -0.02 0.00 0.00 41.12 36.65 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 -2.96 -0.01 0.35 -3.53 2.01 -1.18 -4.97 115.64 105.35 1k85 s THR 618 Ca 0.00 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1k85 s THR 618 Cb 0.00 -0.07 -0.10 0.00 0.01 0.00 0.00 72.50 72.33 1k85 s THR 618 CO 0.00 0.01 0.92 -0.94 -0.69 0.00 0.00 174.62 173.92 1k85 s SER 619 N 0.21 7.16 0.01 3.53 1.04 -1.26 -2.60 113.70 121.79 1k85 s SER 619 Ca -0.02 1.73 -0.01 0.00 0.48 0.00 0.00 55.95 58.14 1k85 s SER 619 Cb -0.02 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1k85 s SER 619 CO -0.01 -0.16 -0.01 -0.31 0.98 0.00 0.00 173.24 173.73 1k85 s TYR 620 N -1.81 0.19 -0.20 5.02 2.02 -0.67 -4.98 117.35 116.91 1k85 s TYR 620 Ca 0.54 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1k85 s TYR 620 Cb -0.15 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 1k85 s TYR 620 CO 0.20 -0.16 -0.11 0.99 -1.57 0.00 0.00 175.55 174.90 1k85 s THR 621 N -1.14 2.79 0.31 -0.71 2.01 -1.26 -1.61 115.64 116.03 1k85 s THR 621 Ca -0.12 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1k85 s THR 621 Cb -0.08 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1k85 s THR 621 CO -0.01 0.48 0.17 -0.36 -0.69 0.00 0.00 174.62 174.21 1k85 s PHE 622 N 1.37 2.84 -0.15 4.92 0.08 -1.06 -2.13 117.98 123.85 1k85 s PHE 622 Ca 0.05 -0.27 -0.20 0.00 0.12 0.00 0.00 56.93 56.63 1k85 s PHE 622 Cb -0.14 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1k85 s PHE 622 CO -0.07 0.39 0.53 0.95 -0.10 0.00 0.00 175.22 176.92 1k85 s THR 623 N -2.31 0.01 -0.04 0.64 -4.23 -1.19 -2.40 115.64 106.11 1k85 s THR 623 Ca 0.36 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1k85 s THR 623 Cb -0.05 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 1k85 s THR 623 CO 0.24 -0.04 -0.01 0.68 -0.54 0.00 0.00 174.62 174.95 1k85 s VAL 624 N -0.16 4.14 0.02 2.29 -7.23 -1.26 -0.32 120.40 117.87 1k85 s VAL 624 Ca -0.04 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1k85 s VAL 624 Cb -0.03 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 1k85 s VAL 624 CO 0.03 0.48 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.65 1k85 s LYS 625 N -1.23 0.77 -0.11 4.82 -0.14 0.21 -1.55 119.74 122.51 1k85 s LYS 625 Ca 0.16 -0.53 -0.05 0.00 -1.36 0.00 0.00 55.97 54.20 1k85 s LYS 625 Cb -0.11 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.27 1k85 s LYS 625 CO 0.06 0.19 0.06 0.00 -0.76 0.00 0.00 175.35 174.90 1k85 s ALA 626 N -0.59 3.52 -0.03 5.17 0.00 -1.26 -0.25 121.76 128.32 1k85 s ALA 626 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1k85 s ALA 626 Cb -0.06 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1k85 s ALA 626 CO 0.00 0.54 -0.14 -1.59 0.00 0.00 0.00 175.76 174.57 1k85 s LYS 627 N -0.75 1.36 0.38 0.00 -2.85 -1.05 -1.20 119.74 115.65 1k85 s LYS 627 Ca 0.12 -0.50 0.07 0.00 -1.00 0.00 0.00 55.97 54.67 1k85 s LYS 627 Cb -0.12 -1.24 -0.00 0.00 -2.06 0.00 0.00 37.83 34.40 1k85 s LYS 627 CO 0.03 0.23 0.49 0.16 0.10 0.00 0.00 175.35 176.36 1k85 s ASP 628 N -0.05 5.65 -0.44 0.03 -4.77 -0.54 -1.93 116.67 114.62 1k85 s ASP 628 Ca -0.00 -0.39 -0.06 0.00 -3.30 0.00 0.00 52.55 48.80 1k85 s ASP 628 Cb -0.09 -0.86 -0.10 0.00 -1.09 0.00 0.00 42.92 40.79 1k85 s ASP 628 CO 0.01 -0.61 3.14 0.00 0.70 0.00 0.00 175.17 178.41 1k85 n ALA 629 N -1.70 6.56 0.00 2.11 0.00 -0.44 -3.41 120.51 123.63 1k85 n ALA 629 Ca 0.04 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1k85 n ALA 629 Cb 0.59 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.94 0.20 0.00 0.00 0.00 -1.26 -5.04 120.51 116.35 1k85 n ALA 630 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1k85 n ALA 630 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.07 1.98 3.12 0.00 0.00 -1.22 -5.13 105.19 103.87 1k85 n GLY 631 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.88 -0.05 1.61 -0.87 -1.26 -5.01 114.94 110.24 1k85 s ASN 632 Ca 0.00 -0.54 0.06 0.00 -1.57 0.00 0.00 52.86 50.81 1k85 s ASN 632 Cb 0.00 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.25 39.90 1k85 s ASN 632 CO 0.00 0.05 -0.24 0.68 -2.57 0.00 0.00 177.10 175.02 1k85 s VAL 633 N 0.93 1.97 0.00 1.60 -7.23 -1.26 -1.47 120.40 114.94 1k85 s VAL 633 Ca -0.06 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1k85 s VAL 633 Cb -0.15 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.13 1k85 s VAL 633 CO -0.03 0.55 0.00 -1.54 -0.31 0.00 0.00 175.10 173.77 1k85 n SER 634 N 2.92 -0.76 -4.94 4.85 3.41 -0.34 -4.83 113.62 113.93 1k85 n SER 634 Ca -0.17 -0.37 -0.25 0.00 -0.26 0.00 0.00 58.87 57.82 1k85 n SER 634 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k85 s ALA 635 N -2.99 3.56 -0.02 7.33 0.00 -1.26 -4.70 121.76 123.68 1k85 s ALA 635 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1k85 s ALA 635 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1k85 s ALA 635 CO 0.00 -0.52 1.21 0.00 0.00 0.00 0.00 175.76 176.45 1k85 s ALA 636 N -2.72 3.47 1.29 0.00 0.00 -1.26 -4.48 121.76 118.05 1k85 s ALA 636 Ca 0.50 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 1k85 s ALA 636 Cb -0.10 -3.50 0.26 0.00 0.00 0.00 0.00 23.12 19.77 1k85 s ALA 636 CO 0.41 -0.68 0.69 -1.13 0.00 0.00 0.00 175.76 175.06 1k85 n SER 637 N 4.85 -2.88 -4.66 0.00 3.41 -0.59 -4.93 113.62 108.82 1k85 n SER 637 Ca 0.10 -0.77 -0.33 0.00 -0.26 0.00 0.00 58.87 57.61 1k85 n SER 637 Cb 0.46 -0.72 0.14 0.00 -0.26 0.00 0.00 64.21 63.83 1k85 n SER 637 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k85 n ASN 638 N -4.78 0.47 -4.73 4.04 4.13 -1.26 -4.65 115.26 108.48 1k85 n ASN 638 Ca 0.10 0.51 -0.38 0.00 1.68 0.00 0.00 54.58 56.49 1k85 n ASN 638 Cb 0.43 -1.47 -0.06 0.00 -1.54 0.00 0.00 39.78 37.15 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k85 s ALA 639 N -2.33 3.46 -0.31 5.41 0.00 -1.26 -4.55 121.76 122.18 1k85 s ALA 639 Ca 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1k85 s ALA 639 Cb -0.26 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1k85 s ALA 639 CO 0.55 0.02 0.02 0.14 0.00 0.00 0.00 175.76 176.49 1k85 s VAL 640 N 0.47 3.09 -0.25 0.00 -7.23 -1.01 -4.93 120.40 110.53 1k85 s VAL 640 Ca 0.29 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1k85 s VAL 640 Cb -0.16 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 1k85 s VAL 640 CO 0.13 -0.13 0.76 -0.94 -0.31 0.00 0.00 175.10 174.61 1k85 s SER 641 N 1.29 6.74 0.24 4.85 1.04 -1.26 -2.55 113.70 124.04 1k85 s SER 641 Ca -0.04 0.90 0.09 0.00 0.48 0.00 0.00 55.95 57.38 1k85 s SER 641 Cb -0.20 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1k85 s SER 641 CO -0.01 -0.48 -0.16 0.68 0.98 0.00 0.00 173.24 174.25 1k85 s VAL 642 N 2.74 2.03 -0.25 5.02 -7.23 -0.63 -4.97 120.40 117.11 1k85 s VAL 642 Ca 0.32 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1k85 s VAL 642 Cb -0.15 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.67 1k85 s VAL 642 CO 0.08 -0.50 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.73 1k85 s LYS 643 N -3.60 2.45 0.00 4.82 -0.14 -1.26 -1.67 119.74 120.35 1k85 s LYS 643 Ca 0.26 -1.21 0.30 0.00 -1.36 0.00 0.00 55.97 53.95 1k85 s LYS 643 Cb -0.02 -2.89 1.41 0.00 -1.68 0.00 0.00 37.83 34.65 1k85 s LYS 643 CO 0.10 -0.50 1.95 0.25 -0.76 0.00 0.00 175.35 176.39