#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 -1.93 1.57 -0.00 -1.26 -5.01 117.12 110.49 1k85 n MET 558 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.31 1k85 n MET 558 Cb 0.00 -0.35 0.01 0.00 -0.00 0.00 0.00 33.22 32.88 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 -2.90 3.18 1.00 3.17 0.00 -1.26 -4.90 121.76 120.04 1k85 s ALA 559 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1k85 s ALA 559 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1k85 s ALA 559 CO 0.00 -1.03 0.00 -0.35 0.00 0.00 0.00 175.76 174.38 1k85 n PRO 560 N -0.18 2.05 -4.99 0.00 -0.04 -1.26 -4.98 135.00 125.59 1k85 n PRO 560 Ca 0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 1k85 n PRO 560 Cb 0.43 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 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 2.72 0.03 0.52 2.01 -1.26 -4.70 115.64 114.95 1k85 s THR 561 Ca 0.00 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1k85 s THR 561 Cb 0.00 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1k85 s THR 561 CO 0.00 0.57 1.19 0.00 -0.69 0.00 0.00 174.62 175.68 1k85 s ALA 562 N -0.29 3.40 0.74 7.40 0.00 -1.26 -4.53 121.76 127.21 1k85 s ALA 562 Ca 0.01 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1k85 s ALA 562 Cb -0.13 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1k85 s ALA 562 CO 0.03 -0.51 0.19 -2.30 0.00 0.00 0.00 175.76 173.17 1k85 n PRO 563 N 4.28 0.16 -4.03 0.00 -0.02 -1.26 -4.90 135.00 129.23 1k85 n PRO 563 Ca 0.09 0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1k85 n PRO 563 Cb 0.47 -1.55 -0.11 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.98 0.17 -0.86 3.45 -1.32 -1.24 -4.30 115.64 109.56 1k85 s THR 564 Ca 0.59 -1.26 -0.03 0.00 -1.21 0.00 0.00 61.69 59.78 1k85 s THR 564 Cb -0.34 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1k85 s THR 564 CO 0.64 -0.69 0.75 -3.20 -2.21 0.00 0.00 174.62 169.91 1k85 n ASN 565 N 1.02 -7.00 -4.90 8.08 2.85 -1.26 -2.25 115.26 111.80 1k85 n ASN 565 Ca -0.20 -0.40 -0.28 0.00 -0.11 0.00 0.00 54.58 53.59 1k85 n ASN 565 Cb 0.57 -4.74 -0.00 0.00 1.24 0.00 0.00 39.78 36.85 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 -4.67 3.62 0.29 1.20 2.96 -1.26 -3.86 118.68 116.95 1k85 s LEU 566 Ca 0.16 0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 54.82 1k85 s LEU 566 Cb -0.03 -3.91 0.04 0.00 0.50 0.00 0.00 46.19 42.78 1k85 s LEU 566 CO 0.77 -0.58 0.79 0.00 -1.32 0.00 0.00 176.35 176.01 1k85 s ALA 567 N -2.75 -1.17 -0.04 5.97 0.00 0.10 -4.97 121.76 118.90 1k85 s ALA 567 Ca 0.48 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1k85 s ALA 567 Cb -0.10 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1k85 s ALA 567 CO 0.45 -1.03 -0.15 -1.54 0.00 0.00 0.00 175.76 173.49 1k85 s SER 568 N -2.99 1.95 0.00 0.00 1.04 -1.26 -1.48 113.70 110.95 1k85 s SER 568 Ca 0.13 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1k85 s SER 568 Cb -0.05 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1k85 s SER 568 CO 0.07 0.13 0.00 0.35 0.98 0.00 0.00 173.24 174.77 1k85 n THR 569 N 3.22 0.00 -2.76 2.02 -2.24 -0.74 -4.95 114.28 108.82 1k85 n THR 569 Ca -0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1k85 n THR 569 Cb 0.53 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.49 3.05 -0.10 6.98 0.00 -1.26 -4.87 121.76 122.07 1k85 s ALA 570 Ca 0.00 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1k85 s ALA 570 Cb 0.00 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1k85 s ALA 570 CO 0.00 -2.71 -0.22 -0.65 0.00 0.00 0.00 175.76 172.18 1k85 s GLN 571 N 4.42 3.06 0.00 0.00 1.11 -1.26 0.08 119.66 127.06 1k85 s GLN 571 Ca 0.30 -0.85 0.00 0.00 0.01 0.00 0.00 55.36 54.82 1k85 s GLN 571 Cb -0.13 -2.35 0.00 0.00 -1.01 0.00 0.00 33.01 29.53 1k85 s GLN 571 CO 0.16 0.21 0.00 0.25 0.01 0.00 0.00 175.29 175.92 1k85 n THR 572 N 3.45 0.00 -0.46 -0.19 -2.24 -0.13 -5.00 114.28 109.71 1k85 n THR 572 Ca -0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1k85 n THR 572 Cb 0.53 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.02 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 2.20 0.00 4.28 -2.24 -1.26 -4.53 114.28 112.72 1k85 n THR 573 Ca 0.00 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1k85 n THR 573 Cb 0.00 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.16 0.00 -4.91 3.42 3.41 -1.26 -4.34 113.62 110.11 1k85 n SER 574 Ca 0.27 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.67 1k85 n SER 574 Cb 1.06 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 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 -1.88 5.60 -0.13 4.04 1.04 -1.26 -2.82 113.70 118.29 1k85 s SER 575 Ca 0.00 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.83 1k85 s SER 575 Cb 0.00 -1.14 0.06 0.00 0.10 0.00 0.00 66.02 65.05 1k85 s SER 575 CO 0.00 -0.35 0.64 -0.51 0.98 0.00 0.00 173.24 174.00 1k85 s ILE 576 N -2.23 0.01 -0.11 -1.02 2.07 -0.78 -0.95 121.20 118.18 1k85 s ILE 576 Ca 0.41 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.58 1k85 s ILE 576 Cb -0.07 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1k85 s ILE 576 CO 0.28 -0.02 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.39 1k85 s THR 577 N -0.53 4.22 -0.10 4.00 2.01 0.11 -2.52 115.64 122.85 1k85 s THR 577 Ca -0.06 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1k85 s THR 577 Cb -0.02 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.70 1k85 s THR 577 CO 0.05 0.56 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.20 1k85 s LEU 578 N -0.40 1.55 -0.03 4.42 2.96 -0.61 -1.79 118.68 124.77 1k85 s LEU 578 Ca 0.07 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1k85 s LEU 578 Cb -0.12 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1k85 s LEU 578 CO 0.02 -0.02 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.25 1k85 s SER 579 N 1.07 2.80 0.24 3.68 0.15 -0.55 -1.29 113.70 119.80 1k85 s SER 579 Ca -0.06 -0.45 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 1k85 s SER 579 Cb -0.15 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.64 1k85 s SER 579 CO -0.02 0.26 0.44 -1.66 1.20 0.00 0.00 173.24 173.46 1k85 s TRP 580 N -0.36 0.44 0.19 3.44 -2.14 -1.23 -0.72 118.94 118.56 1k85 s TRP 580 Ca 0.03 -0.78 -0.27 0.00 2.66 0.00 0.00 56.10 57.74 1k85 s TRP 580 Cb -0.11 0.11 -0.08 0.00 -3.10 0.00 0.00 33.47 30.29 1k85 s TRP 580 CO 0.01 -0.95 0.85 0.99 -2.66 0.00 0.00 176.95 175.20 1k85 s THR 581 N -4.03 4.26 1.14 0.66 2.01 -0.95 -4.88 115.64 113.85 1k85 s THR 581 Ca 0.24 1.88 -0.12 0.00 0.31 0.00 0.00 61.69 63.99 1k85 s THR 581 Cb 0.00 -4.23 0.27 0.00 0.01 0.00 0.00 72.50 68.56 1k85 s THR 581 CO 0.09 0.50 1.04 0.00 -0.69 0.00 0.00 174.62 175.56 1k85 s ALA 582 N -1.07 -0.29 -1.60 7.40 0.00 -1.26 -3.71 121.76 121.23 1k85 s ALA 582 Ca 0.39 -0.01 0.15 0.00 0.00 0.00 0.00 51.96 52.49 1k85 s ALA 582 Cb -0.24 -3.29 0.81 0.00 0.00 0.00 0.00 23.12 20.40 1k85 s ALA 582 CO 0.29 -3.76 1.39 -1.13 0.00 0.00 0.00 175.76 172.55 1k85 n SER 583 N -4.88 0.00 -1.84 0.00 3.41 -1.26 -4.67 113.62 104.38 1k85 n SER 583 Ca 0.04 -0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.42 1k85 n SER 583 Cb 0.54 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1k85 n SER 583 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k85 n THR 584 N -1.20 -0.27 0.03 6.66 -2.24 -1.26 -4.62 114.28 111.38 1k85 n THR 584 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1k85 n THR 584 Cb 0.10 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1k85 n THR 584 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k85 n ASP 585 N -1.08 0.38 0.00 3.42 2.03 -1.26 -5.11 116.55 114.94 1k85 n ASP 585 Ca -0.14 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1k85 n ASP 585 Cb 0.51 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -3.17 -0.40 -1.33 1.67 6.94 -1.26 -4.75 115.26 112.96 1k85 n ASN 586 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1k85 n ASN 586 Cb 0.22 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1k85 n VAL 587 N 0.00 0.00 0.00 3.53 0.31 -1.26 -4.04 118.33 116.87 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 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.21 0.00 3.73 2.92 0.00 -1.26 -5.13 105.19 105.25 1k85 n GLY 588 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.41 4.49 -0.12 1.61 1.01 -1.26 -2.93 120.40 122.79 1k85 s VAL 589 Ca 0.00 2.07 0.14 0.00 0.00 0.00 0.00 61.98 64.20 1k85 s VAL 589 Cb 0.00 -4.32 0.30 0.00 0.00 0.00 0.00 36.38 32.35 1k85 s VAL 589 CO 0.00 0.32 1.15 0.35 0.00 0.00 0.00 175.10 176.92 1k85 n THR 590 N 2.74 1.52 0.00 3.92 -2.24 -0.95 -4.94 114.28 114.32 1k85 n THR 590 Ca 0.02 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 1k85 n THR 590 Cb 0.49 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 591 N -0.94 2.76 2.94 3.38 0.00 -1.25 -4.86 105.19 107.22 1k85 n GLY 591 Ca 0.14 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 1k85 n GLY 591 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k85 s TYR 592 N -2.00 1.17 -0.29 1.61 1.51 -0.28 -2.62 117.35 116.44 1k85 s TYR 592 Ca 0.00 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.54 1k85 s TYR 592 Cb 0.00 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1k85 s TYR 592 CO 0.00 -0.30 0.12 -0.51 -1.11 0.00 0.00 175.55 173.75 1k85 s ASP 593 N 1.04 5.37 -0.13 2.29 1.01 0.03 -1.89 116.67 124.39 1k85 s ASP 593 Ca -0.08 -0.44 -0.09 0.00 0.71 0.00 0.00 52.55 52.65 1k85 s ASP 593 Cb -0.14 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1k85 s ASP 593 CO -0.00 -0.14 0.17 0.54 0.21 0.00 0.00 175.17 175.94 1k85 s VAL 594 N 1.60 5.44 0.42 -1.27 0.11 -1.13 -1.05 120.40 124.52 1k85 s VAL 594 Ca 0.05 0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1k85 s VAL 594 Cb -0.16 -3.45 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1k85 s VAL 594 CO 0.05 0.57 0.57 -0.31 -3.33 0.00 0.00 175.10 172.64 1k85 s TYR 595 N -0.66 2.85 -0.46 1.54 1.51 0.67 -0.93 117.35 121.87 1k85 s TYR 595 Ca 0.14 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1k85 s TYR 595 Cb -0.12 -2.35 0.16 0.00 -0.11 0.00 0.00 41.96 39.53 1k85 s TYR 595 CO 0.03 -0.39 0.31 1.21 -1.11 0.00 0.00 175.55 175.61 1k85 s ASN 596 N -4.33 2.86 0.00 2.29 3.04 -0.21 -2.42 114.94 116.17 1k85 s ASN 596 Ca 0.54 -2.92 0.00 0.00 0.04 0.00 0.00 52.86 50.52 1k85 s ASN 596 Cb -0.10 -0.78 0.00 0.00 -1.54 0.00 0.00 41.25 38.83 1k85 s ASN 596 CO 0.33 -0.21 0.00 0.61 -3.04 0.00 0.00 177.10 174.79 1k85 n GLY 597 N 3.11 2.25 2.02 1.21 0.00 -0.33 -4.12 105.19 109.33 1k85 n GLY 597 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.90 2.61 -2.24 -1.26 -5.07 114.28 106.42 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 0.13 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.44 0.42 6.98 0.00 -1.26 -4.98 121.76 123.36 1k85 s ALA 599 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 1k85 s ALA 599 Cb 0.00 -2.88 -0.11 0.00 0.00 0.00 0.00 23.12 20.13 1k85 s ALA 599 CO 0.00 -2.03 0.96 -1.17 0.00 0.00 0.00 175.76 173.52 1k85 s LEU 600 N -5.73 3.98 0.00 0.00 2.96 -1.26 -1.05 118.68 117.58 1k85 s LEU 600 Ca 0.67 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1k85 s LEU 600 Cb -0.08 -4.48 0.00 0.00 0.50 0.00 0.00 46.19 42.13 1k85 s LEU 600 CO 0.51 -0.38 0.00 0.00 -1.32 0.00 0.00 176.35 175.16 1k85 n ALA 601 N -0.53 0.00 -2.34 5.97 0.00 -0.11 -4.69 120.51 118.82 1k85 n ALA 601 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 1k85 n ALA 601 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 1.45 4.36 -0.16 0.00 -1.32 -1.23 -4.97 115.64 113.77 1k85 s THR 602 Ca 0.00 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1k85 s THR 602 Cb 0.00 -3.64 0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1k85 s THR 602 CO 0.00 -0.52 -0.09 -0.89 -2.21 0.00 0.00 174.62 170.92 1k85 s THR 603 N -2.63 1.29 0.19 5.08 2.01 -1.26 -2.82 115.64 117.51 1k85 s THR 603 Ca 0.47 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k85 s THR 603 Cb -0.10 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.05 1k85 s THR 603 CO 0.40 0.26 0.02 1.33 -0.69 0.00 0.00 174.62 175.94 1k85 n VAL 604 N 4.83 0.00 -0.03 3.82 0.24 -0.79 -5.01 118.33 121.39 1k85 n VAL 604 Ca -0.14 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1k85 n VAL 604 Cb 0.48 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 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 -0.47 0.00 -0.09 3.34 -2.24 -1.26 -1.13 114.28 112.44 1k85 n THR 605 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 605 Cb 0.26 0.78 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 2.01 1.17 3.38 0.00 -1.26 -4.46 105.19 106.02 1k85 n GLY 606 Ca 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 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 2.54 -3.75 2.61 -2.24 -1.26 -4.77 114.28 107.40 1k85 n THR 607 Ca 0.00 -2.55 -0.12 0.00 -2.27 0.00 0.00 64.05 59.10 1k85 n THR 607 Cb 0.00 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.18 0.07 0.01 4.28 -4.23 -1.26 -3.50 115.64 107.84 1k85 s THR 608 Ca 0.45 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1k85 s THR 608 Cb 0.40 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 73.40 1k85 s THR 608 CO 0.02 -0.33 -0.04 0.00 -0.54 0.00 0.00 174.62 173.72 1k85 s ALA 609 N -2.14 0.33 -0.24 3.99 0.00 -0.41 -4.70 121.76 118.58 1k85 s ALA 609 Ca -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1k85 s ALA 609 Cb -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1k85 s ALA 609 CO -0.01 0.01 -0.09 0.99 0.00 0.00 0.00 175.76 176.66 1k85 s THR 610 N -0.62 1.90 -0.24 0.00 2.01 -1.26 -1.58 115.64 115.85 1k85 s THR 610 Ca -0.04 -1.41 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1k85 s THR 610 Cb -0.05 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1k85 s THR 610 CO -0.00 -0.01 0.08 -0.63 -0.69 0.00 0.00 174.62 173.37 1k85 s ILE 611 N 1.24 4.47 0.42 1.82 1.09 -1.05 -4.74 121.20 124.45 1k85 s ILE 611 Ca -0.07 -0.12 0.07 0.00 -1.10 0.00 0.00 60.65 59.43 1k85 s ILE 611 Cb -0.19 -3.08 -0.07 0.00 -1.06 0.00 0.00 42.46 38.07 1k85 s ILE 611 CO -0.06 0.36 0.08 -0.55 -0.10 0.00 0.00 174.94 174.66 1k85 s SER 612 N 1.38 4.09 -0.18 3.58 0.15 -1.26 -1.86 113.70 119.60 1k85 s SER 612 Ca 0.05 -1.27 -0.00 0.00 0.70 0.00 0.00 55.95 55.43 1k85 s SER 612 Cb -0.15 -0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1k85 s SER 612 CO 0.04 -0.51 0.15 0.61 1.20 0.00 0.00 173.24 174.74 1k85 n GLY 613 N -1.09 0.39 3.45 9.45 0.00 -1.14 -4.97 105.19 111.28 1k85 n GLY 613 Ca -0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1k85 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k85 s LEU 614 N -2.87 2.60 0.23 0.99 1.43 -1.13 -5.08 118.68 114.85 1k85 s LEU 614 Ca 0.02 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1k85 s LEU 614 Cb -0.00 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1k85 s LEU 614 CO 0.12 -0.12 0.15 0.00 0.23 0.00 0.00 176.35 176.73 1k85 s ALA 615 N -2.71 3.52 0.60 4.21 0.00 -1.26 -4.23 121.76 121.89 1k85 s ALA 615 Ca 0.29 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1k85 s ALA 615 Cb -0.01 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1k85 s ALA 615 CO 0.13 0.31 0.92 0.00 0.00 0.00 0.00 175.76 177.13 1k85 s ALA 616 N -2.06 3.26 -1.42 0.00 0.00 -1.26 -4.27 121.76 116.01 1k85 s ALA 616 Ca 0.32 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1k85 s ALA 616 Cb -0.08 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1k85 s ALA 616 CO 0.24 -0.84 1.01 -3.47 0.00 0.00 0.00 175.76 172.70 1k85 n ASP 617 N -2.63 -4.53 -3.86 0.00 2.03 -1.09 -4.99 116.55 101.49 1k85 n ASP 617 Ca 0.05 -0.70 -0.12 0.00 0.52 0.00 0.00 54.79 54.53 1k85 n ASP 617 Cb 0.57 -4.35 -0.14 0.00 -0.72 0.00 0.00 41.12 36.48 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1k85 s THR 618 N -3.37 -0.00 0.13 5.18 2.01 -1.26 -4.97 115.64 113.35 1k85 s THR 618 Ca 0.49 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1k85 s THR 618 Cb -0.24 -0.04 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 1k85 s THR 618 CO 0.79 0.01 0.89 -0.44 -0.69 0.00 0.00 174.62 175.17 1k85 s SER 619 N 0.09 7.45 -0.09 3.53 0.01 -1.26 -2.64 113.70 120.79 1k85 s SER 619 Ca -0.01 1.72 -0.02 0.00 1.31 0.00 0.00 55.95 58.96 1k85 s SER 619 Cb -0.01 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1k85 s SER 619 CO -0.00 0.04 0.01 -0.31 0.41 0.00 0.00 173.24 173.38 1k85 s TYR 620 N -0.41 0.67 -0.41 2.43 2.02 -1.07 -5.03 117.35 115.55 1k85 s TYR 620 Ca 0.42 -0.23 -0.12 0.00 -0.37 0.00 0.00 57.07 56.78 1k85 s TYR 620 Cb -0.23 -0.81 0.05 0.00 -0.40 0.00 0.00 41.96 40.57 1k85 s TYR 620 CO 0.28 -0.36 0.27 0.95 -1.57 0.00 0.00 175.55 175.12 1k85 s THR 621 N 1.97 4.64 0.26 -0.71 -4.23 -1.26 -2.12 115.64 114.20 1k85 s THR 621 Ca 0.04 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1k85 s THR 621 Cb -0.13 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1k85 s THR 621 CO -0.06 -0.40 0.39 -0.36 -0.54 0.00 0.00 174.62 173.65 1k85 s PHE 622 N 1.54 3.42 0.02 3.99 0.08 -1.07 -1.19 117.98 124.77 1k85 s PHE 622 Ca 0.03 -0.01 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 1k85 s PHE 622 Cb -0.21 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1k85 s PHE 622 CO 0.05 0.37 0.34 0.95 -0.10 0.00 0.00 175.22 176.84 1k85 s THR 623 N -2.03 0.06 0.15 0.64 -4.23 -1.01 -1.76 115.64 107.47 1k85 s THR 623 Ca 0.35 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1k85 s THR 623 Cb -0.09 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 1k85 s THR 623 CO 0.30 -0.29 -0.09 0.68 -0.54 0.00 0.00 174.62 174.67 1k85 s VAL 624 N -2.04 3.26 0.02 2.29 -7.23 -1.26 -0.24 120.40 115.20 1k85 s VAL 624 Ca -0.08 -1.52 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1k85 s VAL 624 Cb -0.02 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1k85 s VAL 624 CO 0.00 -0.03 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.20 1k85 s LYS 625 N -2.62 0.28 -0.09 4.82 -0.14 -0.22 -1.36 119.74 120.42 1k85 s LYS 625 Ca 0.24 -0.54 -0.02 0.00 -1.36 0.00 0.00 55.97 54.29 1k85 s LYS 625 Cb -0.10 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.12 1k85 s LYS 625 CO 0.15 -0.05 -0.01 0.00 -0.76 0.00 0.00 175.35 174.68 1k85 s ALA 626 N -1.30 3.21 0.06 5.17 0.00 -1.26 -0.79 121.76 126.85 1k85 s ALA 626 Ca -0.14 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1k85 s ALA 626 Cb -0.09 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1k85 s ALA 626 CO -0.01 0.55 -0.12 -1.59 0.00 0.00 0.00 175.76 174.59 1k85 s LYS 627 N -0.77 0.74 0.41 0.00 0.00 -1.08 -2.03 119.74 117.02 1k85 s LYS 627 Ca 0.12 -0.88 0.07 0.00 0.00 0.00 0.00 55.97 55.28 1k85 s LYS 627 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 37.83 36.99 1k85 s LYS 627 CO 0.02 0.15 0.18 -0.51 0.00 0.00 0.00 175.35 175.19 1k85 s ASP 628 N -1.65 4.44 0.00 0.03 1.01 -0.62 -2.25 116.67 117.62 1k85 s ASP 628 Ca -0.04 -1.07 0.08 0.00 0.71 0.00 0.00 52.55 52.24 1k85 s ASP 628 Cb -0.10 -0.48 0.43 0.00 1.01 0.00 0.00 42.92 43.78 1k85 s ASP 628 CO 0.02 -0.54 1.29 0.00 0.21 0.00 0.00 175.17 176.14 1k85 n ALA 629 N -1.24 2.53 0.68 5.23 0.00 -1.15 -2.99 120.51 123.58 1k85 n ALA 629 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.37 1k85 n ALA 629 Cb 0.64 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.41 3.99 0.00 0.00 0.00 -1.26 -4.97 120.51 117.85 1k85 n ALA 630 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1k85 n ALA 630 Cb 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N 1.41 1.04 3.87 0.00 0.00 -1.16 -5.09 105.19 105.25 1k85 n GLY 631 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 6.55 -0.05 1.61 0.02 -1.26 -4.95 114.94 114.86 1k85 s ASN 632 Ca 0.00 0.65 0.01 0.00 -1.02 0.00 0.00 52.86 52.50 1k85 s ASN 632 Cb 0.00 -2.13 0.02 0.00 0.02 0.00 0.00 41.25 39.16 1k85 s ASN 632 CO 0.00 0.34 -0.05 -0.69 0.02 0.00 0.00 177.10 176.72 1k85 s VAL 633 N -1.12 0.60 0.17 1.60 1.01 -1.26 -1.60 120.40 119.80 1k85 s VAL 633 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1k85 s VAL 633 Cb -0.14 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1k85 s VAL 633 CO 0.10 0.24 0.21 -0.24 0.00 0.00 0.00 175.10 175.41 1k85 n SER 634 N 4.06 -0.22 -4.34 3.32 2.88 -0.86 -4.83 113.62 113.62 1k85 n SER 634 Ca -0.24 -0.99 -0.29 0.00 -1.33 0.00 0.00 58.87 56.02 1k85 n SER 634 Cb 0.51 -0.17 0.16 0.00 -0.75 0.00 0.00 64.21 63.96 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 -3.80 2.38 -0.03 -1.46 0.00 -1.26 -4.73 121.76 112.86 1k85 s ALA 635 Ca 0.12 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 1k85 s ALA 635 Cb -0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1k85 s ALA 635 CO 0.09 -2.22 0.54 0.00 0.00 0.00 0.00 175.76 174.17 1k85 s ALA 636 N -3.79 3.51 1.33 0.00 0.00 -1.26 -4.53 121.76 117.02 1k85 s ALA 636 Ca 0.71 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 636 Cb -0.06 -2.67 0.32 0.00 0.00 0.00 0.00 23.12 20.72 1k85 s ALA 636 CO 0.52 0.17 0.97 0.45 0.00 0.00 0.00 175.76 177.87 1k85 n SER 637 N 2.82 -2.86 -4.58 0.00 2.88 -0.47 -4.95 113.62 106.45 1k85 n SER 637 Ca -0.08 -1.03 -0.30 0.00 -1.33 0.00 0.00 58.87 56.13 1k85 n SER 637 Cb 0.51 -0.96 0.20 0.00 -0.75 0.00 0.00 64.21 63.21 1k85 n SER 637 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1k85 n ASN 638 N -5.17 -0.52 -4.71 -3.46 0.23 -1.26 -4.65 115.26 95.71 1k85 n ASN 638 Ca 0.14 0.21 -0.37 0.00 -0.53 0.00 0.00 54.58 54.04 1k85 n ASN 638 Cb 0.57 -1.38 -0.07 0.00 -2.08 0.00 0.00 39.78 36.81 1k85 n ASN 638 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k85 s ALA 639 N -2.54 3.59 -0.43 -2.53 0.00 -1.26 -4.50 121.76 114.09 1k85 s ALA 639 Ca 0.67 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 1k85 s ALA 639 Cb -0.24 -2.41 0.07 0.00 0.00 0.00 0.00 23.12 20.54 1k85 s ALA 639 CO 0.61 0.02 0.30 0.14 0.00 0.00 0.00 175.76 176.83 1k85 s VAL 640 N 0.63 4.64 -0.80 0.00 -7.23 -0.72 -4.92 120.40 111.99 1k85 s VAL 640 Ca 0.16 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 1k85 s VAL 640 Cb -0.13 -3.78 0.07 0.00 0.56 0.00 0.00 36.38 33.09 1k85 s VAL 640 CO 0.04 -0.50 1.18 -0.44 -0.31 0.00 0.00 175.10 175.07 1k85 s SER 641 N 2.22 6.32 -0.16 4.85 0.01 -1.26 -2.60 113.70 123.07 1k85 s SER 641 Ca 0.03 -1.13 -0.01 0.00 1.31 0.00 0.00 55.95 56.15 1k85 s SER 641 Cb -0.23 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 1k85 s SER 641 CO 0.04 -1.49 -0.11 0.68 0.41 0.00 0.00 173.24 172.77 1k85 s VAL 642 N 4.44 3.09 0.20 3.43 -7.23 -0.90 -4.97 120.40 118.47 1k85 s VAL 642 Ca 0.32 -0.63 -0.19 0.00 -1.81 0.00 0.00 61.98 59.68 1k85 s VAL 642 Cb -0.09 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 1k85 s VAL 642 CO 0.04 0.50 0.69 -0.54 -0.31 0.00 0.00 175.10 175.47 1k85 s LYS 643 N 0.72 4.20 0.00 4.82 1.02 -1.26 -2.61 119.74 126.64 1k85 s LYS 643 Ca -0.05 0.80 0.04 0.00 0.02 0.00 0.00 55.97 56.78 1k85 s LYS 643 Cb -0.15 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1k85 s LYS 643 CO 0.02 0.42 0.63 0.25 -0.92 0.00 0.00 175.35 175.74