#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 -2.03 -0.41 0.00 -1.26 -5.07 117.12 108.35 1k85 n MET 558 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.70 57.34 1k85 n MET 558 Cb 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 33.22 32.87 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 -2.00 2.57 1.31 -5.12 0.00 -1.26 -5.01 121.76 112.25 1k85 s ALA 559 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 1k85 s ALA 559 Cb 0.00 -3.45 0.33 0.00 0.00 0.00 0.00 23.12 20.00 1k85 s ALA 559 CO 0.00 -1.13 0.98 -1.25 0.00 0.00 0.00 175.76 174.36 1k85 s PRO 560 N -3.30 -2.08 0.08 0.00 0.04 -1.26 -4.92 135.00 123.55 1k85 s PRO 560 Ca 0.77 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.84 1k85 s PRO 560 Cb -0.30 -1.46 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1k85 s PRO 560 CO 0.33 -4.36 0.82 0.99 0.04 0.00 0.00 177.00 174.83 1k85 s THR 561 N -2.45 4.61 0.05 1.26 2.01 -1.26 -4.31 115.64 115.54 1k85 s THR 561 Ca 0.69 1.77 -0.31 0.00 0.31 0.00 0.00 61.69 64.15 1k85 s THR 561 Cb -0.16 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 1k85 s THR 561 CO 0.59 0.37 1.39 0.00 -0.69 0.00 0.00 174.62 176.29 1k85 s ALA 562 N -0.20 3.57 0.99 7.40 0.00 -1.26 -4.51 121.76 127.75 1k85 s ALA 562 Ca 0.40 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 1k85 s ALA 562 Cb -0.22 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.37 1k85 s ALA 562 CO 0.25 -0.78 0.23 -2.30 0.00 0.00 0.00 175.76 173.16 1k85 n PRO 563 N 4.79 -0.53 -3.84 0.00 -0.02 -1.26 -4.92 135.00 129.22 1k85 n PRO 563 Ca 0.12 -0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1k85 n PRO 563 Cb 0.43 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.34 0.00 -1.53 3.45 -1.32 -1.25 -4.10 115.64 108.55 1k85 s THR 564 Ca 0.55 -0.96 -0.04 0.00 -1.21 0.00 0.00 61.69 60.03 1k85 s THR 564 Cb -0.19 -1.95 0.01 0.00 -1.51 0.00 0.00 72.50 68.86 1k85 s THR 564 CO 0.68 -0.00 0.43 0.59 -2.21 0.00 0.00 174.62 174.11 1k85 n ASN 565 N -0.45 -5.61 -4.68 8.08 4.13 -1.26 -2.26 115.26 113.21 1k85 n ASN 565 Ca -0.05 -0.21 -0.32 0.00 1.68 0.00 0.00 54.58 55.69 1k85 n ASN 565 Cb 0.59 -4.58 0.15 0.00 -1.54 0.00 0.00 39.78 34.41 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 -6.46 2.94 0.29 3.41 2.96 -1.26 -4.49 118.68 116.07 1k85 s LEU 566 Ca 0.23 2.24 -0.20 0.00 -0.22 0.00 0.00 54.13 56.19 1k85 s LEU 566 Cb -0.11 -4.57 0.04 0.00 0.50 0.00 0.00 46.19 42.05 1k85 s LEU 566 CO 0.29 -2.96 0.80 0.00 -1.32 0.00 0.00 176.35 173.16 1k85 s ALA 567 N -2.49 -1.16 -0.08 5.97 0.00 0.67 -4.96 121.76 119.72 1k85 s ALA 567 Ca 0.69 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1k85 s ALA 567 Cb -0.25 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1k85 s ALA 567 CO 0.56 -1.03 -0.10 -1.54 0.00 0.00 0.00 175.76 173.65 1k85 s SER 568 N -3.01 1.80 0.00 0.00 1.04 -1.26 -1.78 113.70 110.49 1k85 s SER 568 Ca 0.13 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1k85 s SER 568 Cb -0.05 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.28 1k85 s SER 568 CO 0.08 -0.01 0.00 0.35 0.98 0.00 0.00 173.24 174.63 1k85 n THR 569 N 4.11 0.00 -2.77 2.02 -2.24 -1.03 -4.93 114.28 109.45 1k85 n THR 569 Ca -0.21 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1k85 n THR 569 Cb 0.51 -0.63 -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 -3.73 3.04 -0.30 6.98 0.00 -1.26 -4.92 121.76 121.56 1k85 s ALA 570 Ca 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.02 1k85 s ALA 570 Cb 0.00 -4.06 0.07 0.00 0.00 0.00 0.00 23.12 19.14 1k85 s ALA 570 CO 0.00 -3.02 -0.02 -1.14 0.00 0.00 0.00 175.76 171.58 1k85 s GLN 571 N 4.27 2.04 0.00 0.00 -0.44 -1.26 -0.03 119.66 124.24 1k85 s GLN 571 Ca 0.30 -1.52 0.00 0.00 -2.50 0.00 0.00 55.36 51.63 1k85 s GLN 571 Cb -0.11 -3.08 0.00 0.00 -1.64 0.00 0.00 33.01 28.18 1k85 s GLN 571 CO 0.05 -0.72 0.00 0.25 0.50 0.00 0.00 175.29 175.37 1k85 n THR 572 N 4.42 0.00 -0.97 -0.34 -2.24 -0.36 -4.99 114.28 109.80 1k85 n THR 572 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1k85 n THR 572 Cb 0.42 -0.81 0.30 0.00 -2.10 0.00 0.00 70.33 68.15 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 2.88 0.00 4.28 -2.24 -1.26 -4.53 114.28 113.41 1k85 n THR 573 Ca 0.00 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1k85 n THR 573 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.10 0.00 -4.23 3.42 3.41 -1.26 -4.47 113.62 110.39 1k85 n SER 574 Ca 0.40 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.69 1k85 n SER 574 Cb 1.37 0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 65.24 1k85 n SER 574 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1k85 s SER 575 N -1.21 3.24 0.07 4.04 0.01 -1.25 -3.01 113.70 115.59 1k85 s SER 575 Ca 0.00 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.82 1k85 s SER 575 Cb 0.00 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 1k85 s SER 575 CO 0.00 0.14 -0.25 -0.51 0.41 0.00 0.00 173.24 173.03 1k85 s ILE 576 N 0.47 2.34 -0.13 1.44 2.07 -1.00 -1.22 121.20 125.17 1k85 s ILE 576 Ca -0.15 -1.47 -0.01 0.00 -1.41 0.00 0.00 60.65 57.62 1k85 s ILE 576 Cb -0.17 -1.97 -0.02 0.00 0.13 0.00 0.00 42.46 40.43 1k85 s ILE 576 CO 0.06 0.26 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.37 1k85 s THR 577 N -0.92 3.37 0.07 4.00 2.01 0.96 -2.25 115.64 122.88 1k85 s THR 577 Ca 0.13 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1k85 s THR 577 Cb -0.10 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1k85 s THR 577 CO 0.04 0.53 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.06 1k85 s LEU 578 N 0.17 2.46 -0.01 4.42 2.96 -0.29 -2.46 118.68 125.93 1k85 s LEU 578 Ca -0.05 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1k85 s LEU 578 Cb -0.15 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1k85 s LEU 578 CO 0.04 0.23 0.03 -0.55 -1.32 0.00 0.00 176.35 174.78 1k85 s SER 579 N -1.64 -0.03 0.26 3.68 0.15 -0.74 -2.18 113.70 113.21 1k85 s SER 579 Ca 0.14 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.68 1k85 s SER 579 Cb -0.10 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 1k85 s SER 579 CO 0.05 -0.02 0.59 -1.66 1.20 0.00 0.00 173.24 173.40 1k85 s TRP 580 N -0.01 0.10 -0.11 3.44 -2.14 -1.21 -0.24 118.94 118.77 1k85 s TRP 580 Ca -0.00 -0.50 -0.27 0.00 2.66 0.00 0.00 56.10 57.98 1k85 s TRP 580 Cb -0.00 0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 30.77 1k85 s TRP 580 CO 0.00 -1.10 0.88 0.99 -2.66 0.00 0.00 176.95 175.06 1k85 s THR 581 N -3.97 4.88 1.03 0.66 2.01 -0.96 -4.92 115.64 114.37 1k85 s THR 581 Ca 0.17 1.78 -0.11 0.00 0.31 0.00 0.00 61.69 63.83 1k85 s THR 581 Cb -0.03 -4.20 0.21 0.00 0.01 0.00 0.00 72.50 68.49 1k85 s THR 581 CO 0.08 0.08 1.08 0.00 -0.69 0.00 0.00 174.62 175.17 1k85 s ALA 582 N 1.71 0.56 0.68 7.40 0.00 -1.26 -3.83 121.76 127.01 1k85 s ALA 582 Ca 0.43 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1k85 s ALA 582 Cb -0.18 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1k85 s ALA 582 CO 0.17 -3.24 1.08 -1.54 0.00 0.00 0.00 175.76 172.23 1k85 s SER 583 N -2.66 5.25 0.00 0.00 1.04 -1.26 -4.91 113.70 111.16 1k85 s SER 583 Ca 0.67 1.79 0.29 0.00 0.48 0.00 0.00 55.95 59.18 1k85 s SER 583 Cb -0.23 -2.52 1.25 0.00 0.10 0.00 0.00 66.02 64.61 1k85 s SER 583 CO 0.61 -1.53 1.86 0.41 0.98 0.00 0.00 173.24 175.57 1k85 n THR 584 N -2.76 0.00 -2.72 2.02 -1.04 -1.26 -3.99 114.28 104.54 1k85 n THR 584 Ca 0.09 -0.10 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 1k85 n THR 584 Cb 0.53 0.03 -0.01 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.66 4.07 0.00 8.00 8.00 -1.26 -4.82 116.55 129.88 1k85 n ASP 585 Ca 0.17 -3.57 0.10 0.00 0.71 0.00 0.00 54.79 52.20 1k85 n ASP 585 Cb 0.27 -0.51 0.58 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.30 0.00 0.15 -2.24 2.85 -1.26 -3.43 115.26 111.03 1k85 n ASN 586 Ca 0.32 -0.82 0.11 0.00 -0.11 0.00 0.00 54.58 54.08 1k85 n ASN 586 Cb 0.57 0.00 0.56 0.00 1.24 0.00 0.00 39.78 42.15 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1k85 n VAL 587 N -0.93 1.07 0.00 3.44 0.31 -1.26 -3.09 118.33 117.87 1k85 n VAL 587 Ca 0.15 0.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.17 1k85 n VAL 587 Cb 0.07 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 -1.22 0.00 3.66 2.92 0.00 -1.22 -5.09 105.19 104.23 1k85 n GLY 588 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.35 3.83 0.00 1.61 0.31 -1.18 -4.08 118.33 118.47 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 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 -1.50 0.00 -3.86 2.52 -2.24 -1.13 -4.86 114.28 103.20 1k85 n THR 590 Ca 0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 1k85 n THR 590 Cb 0.46 0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.19 0.21 -0.05 3.38 0.00 -1.05 -4.77 107.32 103.84 1k85 s GLY 591 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 1k85 s GLY 591 CO 0.00 1.61 0.01 -0.19 0.00 0.00 0.00 173.10 174.53 1k85 s TYR 592 N -2.18 0.43 -0.21 1.90 1.51 -0.61 -1.50 117.35 116.68 1k85 s TYR 592 Ca 0.20 -0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.13 1k85 s TYR 592 Cb -0.03 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.16 1k85 s TYR 592 CO 0.07 -0.23 0.15 0.16 -1.11 0.00 0.00 175.55 174.60 1k85 s ASP 593 N 1.67 6.20 -0.17 2.29 1.47 0.55 -1.98 116.67 126.70 1k85 s ASP 593 Ca -0.00 0.22 -0.07 0.00 1.18 0.00 0.00 52.55 53.87 1k85 s ASP 593 Cb -0.13 -2.10 -0.04 0.00 -0.34 0.00 0.00 42.92 40.31 1k85 s ASP 593 CO -0.03 0.14 0.07 0.54 0.68 0.00 0.00 175.17 176.56 1k85 s VAL 594 N 0.58 4.85 0.08 2.11 0.11 -1.13 0.25 120.40 127.25 1k85 s VAL 594 Ca 0.09 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1k85 s VAL 594 Cb -0.12 -3.17 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1k85 s VAL 594 CO 0.00 0.49 0.24 -0.31 -3.33 0.00 0.00 175.10 172.19 1k85 s TYR 595 N 0.14 3.51 -0.37 1.54 2.02 0.40 -1.11 117.35 123.49 1k85 s TYR 595 Ca 0.05 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1k85 s TYR 595 Cb -0.12 -1.78 0.12 0.00 -0.40 0.00 0.00 41.96 39.78 1k85 s TYR 595 CO 0.00 0.56 0.18 1.21 -1.57 0.00 0.00 175.55 175.94 1k85 s ASN 596 N -2.57 3.55 -0.64 2.29 3.04 0.53 -0.91 114.94 120.24 1k85 s ASN 596 Ca 0.36 -2.12 -0.08 0.00 0.04 0.00 0.00 52.86 51.06 1k85 s ASN 596 Cb -0.13 -0.75 0.01 0.00 -1.54 0.00 0.00 41.25 38.84 1k85 s ASN 596 CO 0.28 -0.33 0.65 0.61 -3.04 0.00 0.00 177.10 175.27 1k85 n GLY 597 N 4.19 -1.15 3.48 1.21 0.00 -1.07 -2.67 105.19 109.18 1k85 n GLY 597 Ca 0.05 0.78 -0.24 0.00 0.00 0.00 0.00 46.02 46.61 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N -1.33 -0.87 -3.15 2.61 -2.24 -1.26 -4.90 114.28 103.13 1k85 n THR 598 Ca -0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1k85 n THR 598 Cb 0.54 -1.61 -0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 -2.93 -2.33 -0.20 6.98 0.00 -1.09 -5.13 121.76 117.06 1k85 s ALA 599 Ca 0.44 1.42 -0.39 0.00 0.00 0.00 0.00 51.96 53.43 1k85 s ALA 599 Cb -0.24 -2.37 -0.15 0.00 0.00 0.00 0.00 23.12 20.37 1k85 s ALA 599 CO 0.54 -1.60 1.73 -0.11 0.00 0.00 0.00 175.76 176.32 1k85 n LEU 600 N 5.42 2.54 0.00 0.00 0.00 -1.26 -0.35 117.00 123.35 1k85 n LEU 600 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.09 1k85 n LEU 600 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1k85 n LEU 600 CO -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 177.39 176.96 1k85 n ALA 601 N 5.33 0.00 -1.96 1.96 0.00 -0.27 -4.78 120.51 120.78 1k85 n ALA 601 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1k85 n ALA 601 Cb 0.17 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.67 1k85 n ALA 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1k85 s THR 602 N 0.48 2.55 -0.15 0.00 -1.32 -1.25 -4.98 115.64 110.97 1k85 s THR 602 Ca 0.00 -0.53 -0.02 0.00 -1.21 0.00 0.00 61.69 59.93 1k85 s THR 602 Cb 0.00 -3.00 0.05 0.00 -1.51 0.00 0.00 72.50 68.03 1k85 s THR 602 CO 0.00 -0.00 0.02 -0.89 -2.21 0.00 0.00 174.62 171.54 1k85 s THR 603 N -2.92 0.48 0.29 5.08 2.01 -1.26 -2.83 115.64 116.49 1k85 s THR 603 Ca 0.58 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1k85 s THR 603 Cb -0.10 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1k85 s THR 603 CO 0.40 -0.02 0.13 1.33 -0.69 0.00 0.00 174.62 175.78 1k85 n VAL 604 N 5.08 0.00 -1.26 3.82 0.24 -0.84 -5.02 118.33 120.35 1k85 n VAL 604 Ca -0.08 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1k85 n VAL 604 Cb 0.48 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.00 0.00 0.00 3.34 -2.24 -1.26 -1.58 114.28 111.54 1k85 n THR 605 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1k85 n THR 605 Cb 0.34 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.35 0.00 3.38 0.00 -1.26 -4.64 105.19 104.02 1k85 n GLY 606 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -4.21 2.61 -2.24 -1.26 -4.83 114.28 104.35 1k85 n THR 607 Ca 0.00 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 1k85 n THR 607 Cb 0.00 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.27 1.79 -0.26 4.28 -4.23 -1.26 -3.34 115.64 111.35 1k85 s THR 608 Ca 0.00 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.68 1k85 s THR 608 Cb 0.00 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1k85 s THR 608 CO 0.00 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 174.68 1k85 s ALA 609 N -2.73 -1.71 -0.11 3.99 0.00 -0.93 -4.71 121.76 115.55 1k85 s ALA 609 Ca 0.30 2.16 -0.01 0.00 0.00 0.00 0.00 51.96 54.41 1k85 s ALA 609 Cb 0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1k85 s ALA 609 CO 0.17 -0.55 -0.08 0.99 0.00 0.00 0.00 175.76 176.28 1k85 s THR 610 N 2.05 3.50 -0.08 0.00 2.01 -1.26 -1.13 115.64 120.73 1k85 s THR 610 Ca -0.08 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1k85 s THR 610 Cb -0.08 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1k85 s THR 610 CO -0.18 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.51 1k85 s ILE 611 N -0.05 2.94 0.56 1.82 1.09 -0.96 -4.69 121.20 121.92 1k85 s ILE 611 Ca -0.01 -0.74 0.08 0.00 -1.10 0.00 0.00 60.65 58.89 1k85 s ILE 611 Cb -0.14 -2.18 0.07 0.00 -1.06 0.00 0.00 42.46 39.16 1k85 s ILE 611 CO 0.03 0.56 0.68 -0.44 -0.10 0.00 0.00 174.94 175.67 1k85 s SER 612 N -0.20 4.97 0.00 3.58 0.01 -1.26 -2.38 113.70 118.42 1k85 s SER 612 Ca -0.00 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1k85 s SER 612 Cb -0.13 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1k85 s SER 612 CO 0.03 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1k85 n GLY 613 N -2.10 1.60 7.00 3.44 0.00 -1.16 -4.92 105.19 109.03 1k85 n GLY 613 Ca 0.11 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -3.19 0.99 4.77 -1.26 -4.56 117.00 113.76 1k85 n LEU 614 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1k85 n LEU 614 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1k85 n LEU 614 CO 0.00 -0.50 0.44 0.00 -1.33 0.00 0.00 177.39 176.00 1k85 s ALA 615 N -1.48 -2.94 1.17 -1.18 0.00 -1.26 -4.99 121.76 111.08 1k85 s ALA 615 Ca 0.00 1.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 1k85 s ALA 615 Cb 0.00 -2.33 0.29 0.00 0.00 0.00 0.00 23.12 21.08 1k85 s ALA 615 CO 0.00 -1.35 1.03 0.00 0.00 0.00 0.00 175.76 175.44 1k85 s ALA 616 N 2.87 -0.49 -1.75 0.00 0.00 -1.26 -3.46 121.76 117.67 1k85 s ALA 616 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1k85 s ALA 616 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1k85 s ALA 616 CO -0.15 -3.88 0.00 -3.47 0.00 0.00 0.00 175.76 168.25 1k85 n ASP 617 N -4.95 -5.58 -3.95 0.00 2.03 -1.22 -4.96 116.55 97.92 1k85 n ASP 617 Ca 0.03 0.08 -0.10 0.00 0.52 0.00 0.00 54.79 55.33 1k85 n ASP 617 Cb 0.54 -4.69 -0.11 0.00 -0.72 0.00 0.00 41.12 36.13 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 -2.94 0.09 0.00 5.18 2.01 -1.22 -5.01 115.64 113.75 1k85 s THR 618 Ca 0.00 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 1k85 s THR 618 Cb 0.00 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1k85 s THR 618 CO 0.00 -0.40 0.61 -0.55 -0.69 0.00 0.00 174.62 173.59 1k85 s SER 619 N -1.19 7.00 0.06 3.53 0.15 -1.26 -2.62 113.70 119.36 1k85 s SER 619 Ca -0.13 1.19 0.07 0.00 0.70 0.00 0.00 55.95 57.77 1k85 s SER 619 Cb -0.08 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1k85 s SER 619 CO -0.01 0.10 -0.19 -0.31 1.20 0.00 0.00 173.24 174.03 1k85 s TYR 620 N -0.19 1.62 -0.28 3.44 2.02 -0.98 -5.00 117.35 117.98 1k85 s TYR 620 Ca 0.32 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1k85 s TYR 620 Cb -0.18 -0.94 0.09 0.00 -0.40 0.00 0.00 41.96 40.52 1k85 s TYR 620 CO 0.18 0.10 0.07 0.95 -1.57 0.00 0.00 175.55 175.28 1k85 s THR 621 N -0.93 0.83 0.34 -0.71 -4.23 -1.25 -1.53 115.64 108.16 1k85 s THR 621 Ca 0.05 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 1k85 s THR 621 Cb -0.09 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.23 1k85 s THR 621 CO 0.02 -0.52 0.48 -0.36 -0.54 0.00 0.00 174.62 173.71 1k85 s PHE 622 N 1.66 3.13 0.15 3.99 0.08 -1.05 -2.59 117.98 123.36 1k85 s PHE 622 Ca 0.06 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 1k85 s PHE 622 Cb -0.17 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1k85 s PHE 622 CO -0.20 -0.03 0.39 0.95 -0.10 0.00 0.00 175.22 176.23 1k85 s THR 623 N -2.20 0.06 0.14 0.64 -4.23 -0.09 -1.94 115.64 108.02 1k85 s THR 623 Ca 0.45 -0.92 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1k85 s THR 623 Cb -0.10 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1k85 s THR 623 CO 0.32 -0.29 -0.18 0.68 -0.54 0.00 0.00 174.62 174.61 1k85 s VAL 624 N -3.88 1.69 -0.04 2.29 -7.23 -1.26 -0.45 120.40 111.53 1k85 s VAL 624 Ca 0.09 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1k85 s VAL 624 Cb 0.02 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.29 1k85 s VAL 624 CO -0.06 -0.26 0.06 -0.54 -0.31 0.00 0.00 175.10 173.99 1k85 s LYS 625 N -2.51 -0.05 -0.70 4.82 -0.14 0.14 -1.59 119.74 119.71 1k85 s LYS 625 Ca 0.12 0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.78 1k85 s LYS 625 Cb -0.07 -0.37 0.04 0.00 -1.68 0.00 0.00 37.83 35.75 1k85 s LYS 625 CO 0.05 -0.25 1.16 0.00 -0.76 0.00 0.00 175.35 175.55 1k85 s ALA 626 N 1.68 2.90 0.16 5.17 0.00 -1.26 -0.33 121.76 130.07 1k85 s ALA 626 Ca -0.02 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1k85 s ALA 626 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.86 1k85 s ALA 626 CO -0.03 -3.05 0.30 -1.59 0.00 0.00 0.00 175.76 171.38 1k85 s LYS 627 N 5.09 3.45 0.00 0.00 -2.85 -0.56 -1.44 119.74 123.43 1k85 s LYS 627 Ca 0.31 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.70 1k85 s LYS 627 Cb -0.11 -2.95 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1k85 s LYS 627 CO 0.14 0.51 0.00 -0.25 0.10 0.00 0.00 175.35 175.85 1k85 n ASP 628 N -0.59 0.00 0.00 0.03 9.92 0.27 -2.53 116.55 123.66 1k85 n ASP 628 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1k85 n ASP 628 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1k85 n ASP 628 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k85 n ALA 629 N -3.00 -0.02 -2.69 2.24 0.00 -1.26 -4.37 120.51 111.41 1k85 n ALA 629 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1k85 n ALA 629 Cb 0.00 0.14 0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.94 1.28 -1.04 0.00 0.00 -1.26 -4.96 120.51 113.59 1k85 n ALA 630 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1k85 n ALA 630 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.74 0.52 3.32 0.00 0.00 -1.26 -5.13 105.19 101.89 1k85 n GLY 631 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.55 -0.04 1.61 0.01 -1.26 -5.04 114.94 109.67 1k85 s ASN 632 Ca 0.00 0.95 -0.01 0.00 -0.71 0.00 0.00 52.86 53.09 1k85 s ASN 632 Cb 0.00 0.85 0.03 0.00 0.41 0.00 0.00 41.25 42.54 1k85 s ASN 632 CO 0.00 -0.19 0.03 0.68 -1.51 0.00 0.00 177.10 176.10 1k85 s VAL 633 N 1.26 0.08 0.00 1.60 -7.23 -1.26 -0.56 120.40 114.28 1k85 s VAL 633 Ca -0.08 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1k85 s VAL 633 Cb -0.07 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.61 1k85 s VAL 633 CO -0.12 0.17 0.00 -1.54 -0.31 0.00 0.00 175.10 173.31 1k85 n SER 634 N 4.75 -0.55 -4.96 4.85 3.41 -0.52 -4.84 113.62 115.77 1k85 n SER 634 Ca -0.15 -0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.06 1k85 n SER 634 Cb 0.50 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 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 -2.78 3.63 0.10 7.33 0.00 -1.26 -4.78 121.76 124.00 1k85 s ALA 635 Ca 0.00 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.55 1k85 s ALA 635 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1k85 s ALA 635 CO 0.00 -0.93 0.73 0.00 0.00 0.00 0.00 175.76 175.56 1k85 s ALA 636 N -2.93 3.44 1.00 0.00 0.00 -1.26 -4.20 121.76 117.82 1k85 s ALA 636 Ca 0.58 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1k85 s ALA 636 Cb -0.10 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1k85 s ALA 636 CO 0.41 0.22 0.00 -1.13 0.00 0.00 0.00 175.76 175.25 1k85 n SER 637 N 2.12 -0.48 -4.72 0.00 3.41 -0.62 -4.93 113.62 108.40 1k85 n SER 637 Ca -0.05 -0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 57.75 1k85 n SER 637 Cb 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 1k85 n SER 637 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1k85 s ASN 638 N -1.32 3.31 -0.13 4.04 0.01 -1.26 -4.75 114.94 114.84 1k85 s ASN 638 Ca 0.00 1.32 -0.15 0.00 -0.71 0.00 0.00 52.86 53.32 1k85 s ASN 638 Cb 0.00 -1.99 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 1k85 s ASN 638 CO 0.00 -2.72 0.34 0.00 -1.51 0.00 0.00 177.10 173.21 1k85 s ALA 639 N -3.00 3.59 -0.34 0.60 0.00 -1.26 -4.53 121.76 116.81 1k85 s ALA 639 Ca 0.64 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1k85 s ALA 639 Cb -0.17 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1k85 s ALA 639 CO 0.56 0.15 0.12 0.14 0.00 0.00 0.00 175.76 176.74 1k85 s VAL 640 N 0.21 3.99 -0.28 0.00 -7.23 -0.82 -4.93 120.40 111.34 1k85 s VAL 640 Ca 0.20 -1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.15 1k85 s VAL 640 Cb -0.14 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.57 1k85 s VAL 640 CO 0.07 -0.15 0.68 -0.44 -0.31 0.00 0.00 175.10 174.95 1k85 s SER 641 N 1.45 6.59 -0.06 4.85 0.01 -1.25 -2.53 113.70 122.76 1k85 s SER 641 Ca -0.00 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.90 1k85 s SER 641 Cb -0.19 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1k85 s SER 641 CO 0.04 -0.48 -0.07 0.68 0.41 0.00 0.00 173.24 173.82 1k85 s VAL 642 N 2.67 0.76 -0.51 3.43 -7.23 -0.58 -4.98 120.40 113.96 1k85 s VAL 642 Ca 0.28 -0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.01 1k85 s VAL 642 Cb -0.15 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.07 1k85 s VAL 642 CO 0.10 0.29 0.78 -0.75 -0.31 0.00 0.00 175.10 175.21 1k85 s LYS 643 N 1.05 3.25 0.00 4.82 2.20 -1.26 -2.33 119.74 127.47 1k85 s LYS 643 Ca -0.08 -0.49 0.32 0.00 -0.36 0.00 0.00 55.97 55.35 1k85 s LYS 643 Cb -0.14 -4.05 1.84 0.00 -1.51 0.00 0.00 37.83 33.96 1k85 s LYS 643 CO -0.00 -1.30 2.19 0.25 -0.36 0.00 0.00 175.35 176.12