#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 -1.73 1.57 0.00 -1.26 -4.66 117.12 111.04 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 0.05 0.00 0.00 0.00 0.00 33.22 33.27 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 3.83 1.36 -1.33 3.04 0.00 -1.26 -5.01 120.51 121.14 1k85 n ALA 559 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 1k85 n ALA 559 Cb 0.00 -2.34 0.21 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.39 -2.30 -2.12 0.00 -0.04 -1.26 -4.94 135.00 122.94 1k85 n PRO 560 Ca 0.13 -1.66 -0.33 0.00 -0.04 0.00 0.00 63.50 61.60 1k85 n PRO 560 Cb 0.46 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -3.07 3.98 -0.12 0.52 -4.23 -1.26 -4.37 115.64 107.09 1k85 s THR 561 Ca 0.65 0.94 -0.18 0.00 -1.18 0.00 0.00 61.69 61.92 1k85 s THR 561 Cb -0.05 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1k85 s THR 561 CO 0.48 -0.55 0.48 0.00 -0.54 0.00 0.00 174.62 174.48 1k85 s ALA 562 N -2.50 3.47 0.63 3.99 0.00 -1.26 -4.50 121.76 121.59 1k85 s ALA 562 Ca 0.62 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 1k85 s ALA 562 Cb -0.15 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1k85 s ALA 562 CO 0.36 -0.00 0.54 -2.30 0.00 0.00 0.00 175.76 174.36 1k85 n PRO 563 N 3.68 0.45 -4.07 0.00 -0.02 -1.26 -4.92 135.00 128.86 1k85 n PRO 563 Ca -0.07 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 1k85 n PRO 563 Cb 0.52 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 1k85 n PRO 563 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k85 s THR 564 N -1.78 0.28 -1.16 3.45 -4.23 -1.25 -4.29 115.64 106.66 1k85 s THR 564 Ca 0.68 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1k85 s THR 564 Cb -0.41 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1k85 s THR 564 CO 0.55 -0.82 0.92 0.59 -0.54 0.00 0.00 174.62 175.32 1k85 n ASN 565 N 0.54 -3.77 -4.86 3.99 4.13 -1.26 -1.87 115.26 112.16 1k85 n ASN 565 Ca -0.17 -0.70 -0.31 0.00 1.68 0.00 0.00 54.58 55.08 1k85 n ASN 565 Cb 0.59 -4.91 -0.02 0.00 -1.54 0.00 0.00 39.78 33.90 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 -6.06 3.59 0.35 3.41 2.96 -1.26 -4.19 118.68 117.48 1k85 s LEU 566 Ca 0.19 1.36 -0.17 0.00 -0.22 0.00 0.00 54.13 55.29 1k85 s LEU 566 Cb -0.03 -4.31 0.06 0.00 0.50 0.00 0.00 46.19 42.42 1k85 s LEU 566 CO 0.75 -0.60 0.86 0.00 -1.32 0.00 0.00 176.35 176.04 1k85 s ALA 567 N -2.69 -0.92 -0.11 5.97 0.00 0.01 -4.92 121.76 119.10 1k85 s ALA 567 Ca 0.55 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1k85 s ALA 567 Cb -0.10 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1k85 s ALA 567 CO 0.38 -1.00 -0.12 -1.54 0.00 0.00 0.00 175.76 173.47 1k85 s SER 568 N -3.17 2.34 0.00 0.00 1.04 -1.26 -1.77 113.70 110.87 1k85 s SER 568 Ca 0.18 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1k85 s SER 568 Cb -0.04 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1k85 s SER 568 CO 0.10 -0.04 0.00 0.35 0.98 0.00 0.00 173.24 174.64 1k85 n THR 569 N 4.50 0.00 -2.54 2.02 -2.24 -0.65 -4.89 114.28 110.48 1k85 n THR 569 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1k85 n THR 569 Cb 0.51 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -4.27 2.73 -0.22 6.98 0.00 -1.26 -4.87 121.76 120.85 1k85 s ALA 570 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.39 1k85 s ALA 570 Cb 0.00 -4.32 -0.00 0.00 0.00 0.00 0.00 23.12 18.80 1k85 s ALA 570 CO 0.00 -3.38 -0.06 -0.65 0.00 0.00 0.00 175.76 171.67 1k85 s GLN 571 N 5.61 3.27 0.00 0.00 1.11 -1.26 0.14 119.66 128.53 1k85 s GLN 571 Ca 0.38 -0.69 0.00 0.00 0.01 0.00 0.00 55.36 55.06 1k85 s GLN 571 Cb -0.06 -2.95 0.00 0.00 -1.01 0.00 0.00 33.01 28.99 1k85 s GLN 571 CO 0.10 -0.22 0.00 0.25 0.01 0.00 0.00 175.29 175.43 1k85 n THR 572 N 4.76 0.00 -0.10 -0.19 -2.24 -0.11 -5.01 114.28 111.39 1k85 n THR 572 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1k85 n THR 572 Cb 0.50 -0.31 0.23 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.03 1.64 0.00 4.28 -2.24 -1.26 -4.51 114.28 112.16 1k85 n THR 573 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1k85 n THR 573 Cb 0.00 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.32 0.00 -4.59 3.42 3.41 -1.26 -4.17 113.62 110.75 1k85 n SER 574 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.44 1k85 n SER 574 Cb 0.82 0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.63 5.32 0.09 4.04 1.04 -1.25 -1.54 113.70 119.77 1k85 s SER 575 Ca 0.00 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1k85 s SER 575 Cb 0.00 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 1k85 s SER 575 CO 0.00 0.19 -0.25 -0.51 0.98 0.00 0.00 173.24 173.64 1k85 s ILE 576 N 0.27 2.09 -0.13 -1.02 2.07 -0.77 -0.94 121.20 122.77 1k85 s ILE 576 Ca 0.01 -1.54 -0.01 0.00 -1.41 0.00 0.00 60.65 57.70 1k85 s ILE 576 Cb -0.13 -1.83 -0.02 0.00 0.13 0.00 0.00 42.46 40.61 1k85 s ILE 576 CO 0.01 0.19 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.26 1k85 s THR 577 N -0.95 3.46 -0.09 4.00 2.01 0.12 -2.63 115.64 121.57 1k85 s THR 577 Ca 0.12 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1k85 s THR 577 Cb -0.10 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1k85 s THR 577 CO 0.04 0.52 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.05 1k85 s LEU 578 N 0.19 2.01 -0.03 4.42 2.96 -0.37 -1.64 118.68 126.22 1k85 s LEU 578 Ca -0.05 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1k85 s LEU 578 Cb -0.14 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1k85 s LEU 578 CO 0.04 0.14 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.50 1k85 s SER 579 N 0.36 2.04 0.25 3.68 0.15 -0.73 -1.12 113.70 118.33 1k85 s SER 579 Ca -0.17 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.04 1k85 s SER 579 Cb -0.17 -0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1k85 s SER 579 CO 0.08 0.16 0.46 -1.66 1.20 0.00 0.00 173.24 173.48 1k85 s TRP 580 N -0.06 0.44 -0.05 3.44 -2.14 -1.14 -0.81 118.94 118.61 1k85 s TRP 580 Ca -0.01 -0.79 -0.30 0.00 2.66 0.00 0.00 56.10 57.66 1k85 s TRP 580 Cb -0.10 0.14 -0.02 0.00 -3.10 0.00 0.00 33.47 30.39 1k85 s TRP 580 CO 0.01 -0.98 1.02 0.99 -2.66 0.00 0.00 176.95 175.33 1k85 s THR 581 N -3.97 4.74 0.25 0.66 2.01 -0.78 -4.88 115.64 113.67 1k85 s THR 581 Ca 0.24 1.99 -0.31 0.00 0.31 0.00 0.00 61.69 63.92 1k85 s THR 581 Cb -0.00 -4.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.12 1k85 s THR 581 CO 0.10 0.07 1.60 0.00 -0.69 0.00 0.00 174.62 175.69 1k85 s ALA 582 N 1.60 3.78 0.56 7.40 0.00 -1.26 -3.89 121.76 129.95 1k85 s ALA 582 Ca 0.51 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.80 1k85 s ALA 582 Cb -0.20 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1k85 s ALA 582 CO 0.23 -0.91 1.09 -1.12 0.00 0.00 0.00 175.76 175.05 1k85 s SER 583 N 0.71 5.78 1.10 0.00 0.01 -1.26 -4.97 113.70 115.06 1k85 s SER 583 Ca 0.66 2.00 -0.14 0.00 1.31 0.00 0.00 55.95 59.78 1k85 s SER 583 Cb -0.47 -2.56 0.20 0.00 0.21 0.00 0.00 66.02 63.41 1k85 s SER 583 CO 0.41 -1.17 0.93 0.35 0.41 0.00 0.00 173.24 174.17 1k85 n THR 584 N -1.57 0.00 -3.60 1.44 -2.24 -1.26 -4.44 114.28 102.60 1k85 n THR 584 Ca 0.10 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 1k85 n THR 584 Cb 0.52 -1.40 0.04 0.00 -2.10 0.00 0.00 70.33 67.40 1k85 n THR 584 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k85 n ASP 585 N -4.05 -2.84 0.01 3.42 8.00 -1.26 -4.41 116.55 115.41 1k85 n ASP 585 Ca 0.12 -0.82 0.05 0.00 0.71 0.00 0.00 54.79 54.84 1k85 n ASP 585 Cb 0.45 -4.20 0.20 0.00 -0.02 0.00 0.00 41.12 37.55 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1k85 n ASN 586 N -3.02 0.04 0.01 -2.24 0.23 -1.26 -2.15 115.26 106.87 1k85 n ASN 586 Ca -0.23 0.51 0.05 0.00 -0.53 0.00 0.00 54.58 54.39 1k85 n ASN 586 Cb 0.65 -0.52 0.22 0.00 -2.08 0.00 0.00 39.78 38.05 1k85 n ASN 586 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1k85 n VAL 587 N -1.55 1.31 0.00 3.53 0.24 -1.26 -3.40 118.33 117.20 1k85 n VAL 587 Ca 0.02 0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 1k85 n VAL 587 Cb 0.10 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 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 -0.49 0.00 3.72 7.63 0.00 -0.91 -4.97 105.19 110.16 1k85 n GLY 588 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.74 2.81 -0.05 1.61 1.01 -1.18 -0.90 120.40 121.97 1k85 s VAL 589 Ca 0.00 0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.68 1k85 s VAL 589 Cb 0.00 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.83 1k85 s VAL 589 CO 0.00 0.05 0.19 1.07 0.00 0.00 0.00 175.10 176.41 1k85 n THR 590 N 3.88 0.23 -3.93 3.92 5.66 -1.23 -4.88 114.28 117.92 1k85 n THR 590 Ca 0.13 -0.34 0.02 0.00 -3.05 0.00 0.00 64.05 60.81 1k85 n THR 590 Cb 0.40 -0.06 0.01 0.00 -1.55 0.00 0.00 70.33 69.13 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 -3.68 -0.15 -0.10 1.09 0.00 -1.26 -4.75 107.32 98.47 1k85 s GLY 591 Ca -0.05 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1k85 s GLY 591 CO 0.49 4.64 -0.14 -0.19 0.00 0.00 0.00 173.10 177.89 1k85 s TYR 592 N -2.09 1.86 -0.29 1.90 2.02 0.15 -2.63 117.35 118.27 1k85 s TYR 592 Ca 0.27 -0.83 -0.10 0.00 -0.37 0.00 0.00 57.07 56.03 1k85 s TYR 592 Cb 0.00 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1k85 s TYR 592 CO -0.01 -0.43 0.17 -0.51 -1.57 0.00 0.00 175.55 173.20 1k85 s ASP 593 N 0.93 5.79 -0.19 2.29 1.01 -0.35 -1.52 116.67 124.63 1k85 s ASP 593 Ca -0.08 -0.18 -0.10 0.00 0.71 0.00 0.00 52.55 52.90 1k85 s ASP 593 Cb -0.15 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1k85 s ASP 593 CO -0.00 -0.10 0.14 0.54 0.21 0.00 0.00 175.17 175.96 1k85 s VAL 594 N 1.71 5.41 0.15 -1.27 0.11 -1.11 -1.16 120.40 124.23 1k85 s VAL 594 Ca 0.06 0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1k85 s VAL 594 Cb -0.16 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1k85 s VAL 594 CO 0.09 0.45 0.29 -0.31 -3.33 0.00 0.00 175.10 172.29 1k85 s TYR 595 N 0.28 3.49 -0.38 1.54 1.51 0.78 -1.31 117.35 123.27 1k85 s TYR 595 Ca 0.09 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1k85 s TYR 595 Cb -0.11 -1.69 0.14 0.00 -0.11 0.00 0.00 41.96 40.18 1k85 s TYR 595 CO -0.01 0.51 0.22 1.21 -1.11 0.00 0.00 175.55 176.36 1k85 s ASN 596 N -3.17 3.21 -0.52 2.29 2.47 -0.17 -1.27 114.94 117.78 1k85 s ASN 596 Ca 0.35 -2.31 -0.03 0.00 0.42 0.00 0.00 52.86 51.29 1k85 s ASN 596 Cb -0.11 -0.61 -0.03 0.00 -1.45 0.00 0.00 41.25 39.05 1k85 s ASN 596 CO 0.29 -0.30 0.45 0.61 -3.72 0.00 0.00 177.10 174.43 1k85 n GLY 597 N 3.91 -0.10 3.90 1.21 0.00 -0.78 -3.64 105.19 109.69 1k85 n GLY 597 Ca 0.10 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.36 -2.15 -3.27 2.61 -2.24 -1.26 -4.96 114.28 100.66 1k85 n THR 598 Ca -0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 598 Cb 0.56 -2.92 -0.03 0.00 -2.10 0.00 0.00 70.33 65.84 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 -3.32 -1.95 -0.11 6.98 0.00 -1.24 -5.13 121.76 117.00 1k85 s ALA 599 Ca 0.64 1.69 -0.38 0.00 0.00 0.00 0.00 51.96 53.90 1k85 s ALA 599 Cb -0.32 -1.99 -0.16 0.00 0.00 0.00 0.00 23.12 20.65 1k85 s ALA 599 CO 0.83 -1.25 1.59 -0.11 0.00 0.00 0.00 175.76 176.81 1k85 n LEU 600 N 5.42 2.16 0.00 0.00 -0.00 -1.26 -0.99 117.00 122.33 1k85 n LEU 600 Ca -0.03 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 1k85 n LEU 600 Cb 0.51 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.75 1k85 n LEU 600 CO 0.03 -0.65 0.00 0.00 -0.00 0.00 0.00 177.39 176.77 1k85 n ALA 601 N 4.26 0.00 -2.08 1.96 0.00 -0.42 -4.83 120.51 119.40 1k85 n ALA 601 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 1k85 n ALA 601 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 1.64 3.12 -0.06 0.00 -1.32 -1.24 -4.97 115.64 112.81 1k85 s THR 602 Ca 0.00 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.04 1k85 s THR 602 Cb 0.00 -3.20 0.02 0.00 -1.51 0.00 0.00 72.50 67.81 1k85 s THR 602 CO 0.00 -0.16 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.28 1k85 s THR 603 N -2.81 0.81 0.00 5.08 2.01 -1.26 -2.77 115.64 116.70 1k85 s THR 603 Ca 0.55 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1k85 s THR 603 Cb -0.10 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.62 1k85 s THR 603 CO 0.40 0.29 0.00 1.33 -0.69 0.00 0.00 174.62 175.95 1k85 n VAL 604 N 4.02 0.00 0.00 3.82 0.24 -0.58 -4.98 118.33 120.85 1k85 n VAL 604 Ca -0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1k85 n VAL 604 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -0.00 0.00 0.00 3.34 -2.24 -1.26 -0.68 114.28 113.44 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.15 1.36 0.00 3.38 0.00 -1.26 -4.64 105.19 104.17 1k85 n GLY 606 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.02 -4.35 2.61 -2.24 -1.26 -4.91 114.28 104.14 1k85 n THR 607 Ca 0.00 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 1k85 n THR 607 Cb 0.00 1.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.02 1.18 -0.04 4.28 -4.23 -1.26 -2.89 115.64 112.66 1k85 s THR 608 Ca 0.00 -1.08 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1k85 s THR 608 Cb 0.00 -1.08 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 1k85 s THR 608 CO 0.00 -0.01 -0.20 0.00 -0.54 0.00 0.00 174.62 173.87 1k85 s ALA 609 N -0.91 1.73 -0.11 3.99 0.00 -0.28 -4.74 121.76 121.44 1k85 s ALA 609 Ca 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1k85 s ALA 609 Cb -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1k85 s ALA 609 CO 0.02 0.34 -0.23 0.99 0.00 0.00 0.00 175.76 176.88 1k85 s THR 610 N -0.10 2.17 -0.15 0.00 2.01 -1.26 -1.24 115.64 117.08 1k85 s THR 610 Ca -0.02 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.01 1k85 s THR 610 Cb -0.12 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1k85 s THR 610 CO 0.02 0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.75 1k85 s ILE 611 N 0.39 1.47 -0.14 1.82 1.09 -1.08 -4.75 121.20 120.00 1k85 s ILE 611 Ca -0.17 -0.60 -0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1k85 s ILE 611 Cb -0.18 -1.41 -0.03 0.00 -1.06 0.00 0.00 42.46 39.78 1k85 s ILE 611 CO 0.08 0.42 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.85 1k85 s SER 612 N 1.52 4.82 0.00 3.58 0.01 -1.26 -1.84 113.70 120.53 1k85 s SER 612 Ca 0.04 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1k85 s SER 612 Cb -0.13 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1k85 s SER 612 CO -0.10 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1k85 n GLY 613 N 3.33 0.47 3.47 3.44 0.00 -0.59 -4.99 105.19 110.32 1k85 n GLY 613 Ca -0.17 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 2.03 0.03 0.99 1.43 -1.13 -5.03 118.68 116.99 1k85 s LEU 614 Ca 0.00 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 51.61 1k85 s LEU 614 Cb 0.00 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 1k85 s LEU 614 CO 0.00 -0.78 -0.11 0.00 0.23 0.00 0.00 176.35 175.69 1k85 s ALA 615 N -3.30 0.91 1.14 4.21 0.00 -1.26 -4.18 121.76 119.28 1k85 s ALA 615 Ca 0.30 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1k85 s ALA 615 Cb 0.06 -0.13 0.26 0.00 0.00 0.00 0.00 23.12 23.30 1k85 s ALA 615 CO 0.15 0.16 1.07 0.00 0.00 0.00 0.00 175.76 177.14 1k85 s ALA 616 N -0.77 0.41 -1.46 0.00 0.00 -1.26 -3.92 121.76 114.75 1k85 s ALA 616 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 1k85 s ALA 616 Cb -0.07 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1k85 s ALA 616 CO 0.01 -3.44 0.86 -0.25 0.00 0.00 0.00 175.76 172.94 1k85 n ASP 617 N -4.64 -5.24 -4.15 0.00 9.92 -1.25 -4.97 116.55 106.21 1k85 n ASP 617 Ca 0.08 -0.56 -0.10 0.00 -0.53 0.00 0.00 54.79 53.68 1k85 n ASP 617 Cb 0.58 -4.20 -0.10 0.00 -0.64 0.00 0.00 41.12 36.76 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1k85 s THR 618 N -3.21 0.45 -0.12 -3.53 2.01 -1.25 -5.02 115.64 104.97 1k85 s THR 618 Ca 0.53 -1.90 0.03 0.00 0.31 0.00 0.00 61.69 60.66 1k85 s THR 618 Cb -0.26 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.51 1k85 s THR 618 CO 0.65 -0.80 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.12 1k85 s SER 619 N -3.02 3.10 0.10 3.53 0.01 -1.26 -2.49 113.70 113.67 1k85 s SER 619 Ca 0.14 -0.58 0.09 0.00 1.31 0.00 0.00 55.95 56.90 1k85 s SER 619 Cb 0.07 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 1k85 s SER 619 CO -0.04 0.12 -0.22 -0.31 0.41 0.00 0.00 173.24 173.19 1k85 s TYR 620 N 0.58 1.91 -0.27 2.43 2.02 -0.67 -4.99 117.35 118.36 1k85 s TYR 620 Ca -0.13 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 1k85 s TYR 620 Cb -0.17 -1.05 0.08 0.00 -0.40 0.00 0.00 41.96 40.42 1k85 s TYR 620 CO 0.03 0.22 -0.02 0.95 -1.57 0.00 0.00 175.55 175.17 1k85 s THR 621 N -1.11 1.72 0.20 -0.71 -4.23 -1.26 -1.26 115.64 108.99 1k85 s THR 621 Ca 0.08 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1k85 s THR 621 Cb -0.10 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1k85 s THR 621 CO 0.04 -0.29 0.33 -0.36 -0.54 0.00 0.00 174.62 173.80 1k85 s PHE 622 N 1.26 3.47 -0.17 3.99 0.08 -1.07 -1.86 117.98 123.67 1k85 s PHE 622 Ca 0.00 0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.97 1k85 s PHE 622 Cb -0.19 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1k85 s PHE 622 CO -0.09 0.47 0.44 0.95 -0.10 0.00 0.00 175.22 176.89 1k85 s THR 623 N -1.87 -0.01 -0.09 0.64 -4.23 -0.40 -1.39 115.64 108.29 1k85 s THR 623 Ca 0.34 0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1k85 s THR 623 Cb -0.10 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 1k85 s THR 623 CO 0.29 0.02 0.17 0.68 -0.54 0.00 0.00 174.62 175.24 1k85 s VAL 624 N 0.87 5.45 0.09 2.29 -7.23 -1.26 -0.15 120.40 120.46 1k85 s VAL 624 Ca -0.05 0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.38 1k85 s VAL 624 Cb -0.06 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 1k85 s VAL 624 CO -0.07 0.56 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.60 1k85 s LYS 625 N -1.20 0.92 0.00 4.82 -0.14 -0.31 -1.55 119.74 122.28 1k85 s LYS 625 Ca 0.18 -1.09 0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1k85 s LYS 625 Cb -0.12 -0.87 -0.03 0.00 -1.68 0.00 0.00 37.83 35.12 1k85 s LYS 625 CO 0.07 0.18 -0.05 0.00 -0.76 0.00 0.00 175.35 174.79 1k85 s ALA 626 N -1.69 3.08 0.47 5.17 0.00 -1.26 -1.21 121.76 126.32 1k85 s ALA 626 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1k85 s ALA 626 Cb -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1k85 s ALA 626 CO 0.02 0.62 0.03 0.15 0.00 0.00 0.00 175.76 176.58 1k85 s LYS 627 N -1.44 2.09 0.25 0.00 1.02 -1.08 -0.34 119.74 120.24 1k85 s LYS 627 Ca 0.18 -2.30 0.01 0.00 0.02 0.00 0.00 55.97 53.88 1k85 s LYS 627 Cb -0.11 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1k85 s LYS 627 CO 0.08 -0.33 0.15 0.16 -0.92 0.00 0.00 175.35 174.49 1k85 s ASP 628 N -3.79 0.77 -0.14 2.83 -4.77 -0.71 -3.55 116.67 107.32 1k85 s ASP 628 Ca 0.15 -1.47 -0.01 0.00 -3.30 0.00 0.00 52.55 47.91 1k85 s ASP 628 Cb 0.03 0.38 0.03 0.00 -1.09 0.00 0.00 42.92 42.27 1k85 s ASP 628 CO 0.08 -0.87 2.29 0.00 0.70 0.00 0.00 175.17 177.38 1k85 n ALA 629 N -0.41 4.88 -0.84 2.11 0.00 -0.08 -3.15 120.51 123.03 1k85 n ALA 629 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1k85 n ALA 629 Cb 0.65 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.23 0.00 -0.78 0.00 0.00 -1.26 -5.03 120.51 114.67 1k85 n ALA 630 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1k85 n ALA 630 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1k85 n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k85 n GLY 631 N 0.00 1.19 3.32 0.00 0.00 -1.19 -5.10 105.19 103.42 1k85 n GLY 631 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.34 3.19 0.14 1.61 0.01 -1.26 -4.98 114.94 111.30 1k85 s ASN 632 Ca 0.00 -0.44 0.08 0.00 -0.71 0.00 0.00 52.86 51.79 1k85 s ASN 632 Cb 0.00 -0.52 -0.04 0.00 0.41 0.00 0.00 41.25 41.10 1k85 s ASN 632 CO 0.00 0.31 -0.13 0.68 -1.51 0.00 0.00 177.10 176.45 1k85 s VAL 633 N -0.52 3.12 0.00 1.60 -7.23 -1.26 -1.74 120.40 114.37 1k85 s VAL 633 Ca 0.07 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1k85 s VAL 633 Cb -0.11 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1k85 s VAL 633 CO 0.00 0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 173.62 1k85 n SER 634 N 0.49 0.00 -4.90 4.85 7.64 0.54 -4.72 113.62 117.53 1k85 n SER 634 Ca -0.13 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.47 1k85 n SER 634 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k85 s ALA 635 N -3.08 3.46 -0.33 -0.43 0.00 -1.26 -4.78 121.76 115.34 1k85 s ALA 635 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1k85 s ALA 635 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1k85 s ALA 635 CO 0.00 -0.06 1.08 0.00 0.00 0.00 0.00 175.76 176.77 1k85 s ALA 636 N -2.42 3.47 1.23 0.00 0.00 -1.26 -4.46 121.76 118.32 1k85 s ALA 636 Ca 0.47 -0.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 1k85 s ALA 636 Cb -0.10 -3.69 0.26 0.00 0.00 0.00 0.00 23.12 19.59 1k85 s ALA 636 CO 0.36 -1.54 0.65 -1.13 0.00 0.00 0.00 175.76 174.10 1k85 n SER 637 N 6.93 -2.71 -4.70 0.00 3.41 -0.59 -4.90 113.62 111.06 1k85 n SER 637 Ca 0.12 -0.38 -0.38 0.00 -0.26 0.00 0.00 58.87 57.97 1k85 n SER 637 Cb 0.47 -1.06 0.05 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.98 1.99 -4.75 4.04 4.13 -1.26 -4.62 115.26 110.81 1k85 n ASN 638 Ca 0.05 0.92 -0.40 0.00 1.68 0.00 0.00 54.58 56.82 1k85 n ASN 638 Cb 0.55 -1.51 -0.06 0.00 -1.54 0.00 0.00 39.78 37.23 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 -1.36 3.35 -0.34 5.41 0.00 -1.26 -4.63 121.76 122.92 1k85 s ALA 639 Ca 0.74 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1k85 s ALA 639 Cb -0.42 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 19.60 1k85 s ALA 639 CO 0.48 0.22 0.07 0.14 0.00 0.00 0.00 175.76 176.66 1k85 s VAL 640 N -1.16 2.76 -0.55 0.00 -7.23 -0.48 -4.95 120.40 108.79 1k85 s VAL 640 Ca 0.41 -1.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 1k85 s VAL 640 Cb -0.26 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 33.89 1k85 s VAL 640 CO 0.31 -0.44 1.04 -0.55 -0.31 0.00 0.00 175.10 175.15 1k85 s SER 641 N 1.31 6.40 0.01 4.85 0.15 -1.26 -2.61 113.70 122.56 1k85 s SER 641 Ca 0.04 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.59 1k85 s SER 641 Cb -0.21 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1k85 s SER 641 CO -0.05 -1.32 -0.02 0.54 1.20 0.00 0.00 173.24 173.59 1k85 s VAL 642 N 4.35 3.96 -0.25 4.45 0.11 -0.39 -4.95 120.40 127.67 1k85 s VAL 642 Ca 0.36 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1k85 s VAL 642 Cb -0.10 -2.76 0.05 0.00 -1.53 0.00 0.00 36.38 32.04 1k85 s VAL 642 CO 0.22 0.35 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.48 1k85 s LYS 643 N -1.59 2.32 0.00 1.54 2.20 -1.26 -1.67 119.74 121.27 1k85 s LYS 643 Ca 0.19 -1.25 0.32 0.00 -0.36 0.00 0.00 55.97 54.86 1k85 s LYS 643 Cb -0.11 -2.82 1.89 0.00 -1.51 0.00 0.00 37.83 35.27 1k85 s LYS 643 CO 0.10 -0.52 2.21 0.25 -0.36 0.00 0.00 175.35 177.03