#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k85 h MET 558 N 0.00 0.00 -7.18 -1.40 0.00 -2.02 -3.46 114.93 100.86 1k85 h MET 558 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 59.70 59.17 1k85 h MET 558 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 31.60 31.76 1k85 h MET 558 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 176.91 177.29 1k85 s ALA 559 N -3.19 2.09 1.00 6.32 0.00 -1.26 -5.03 121.76 121.69 1k85 s ALA 559 Ca 0.07 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1k85 s ALA 559 Cb 0.10 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1k85 s ALA 559 CO 0.68 -1.92 0.00 -0.35 0.00 0.00 0.00 175.76 174.17 1k85 n PRO 560 N -2.81 2.06 -4.60 0.00 -0.04 -1.26 -4.87 135.00 123.47 1k85 n PRO 560 Ca 0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1k85 n PRO 560 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 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 3.48 0.22 0.52 2.01 -1.26 -4.47 115.64 116.14 1k85 s THR 561 Ca 0.00 -0.51 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 1k85 s THR 561 Cb 0.00 -2.49 -0.12 0.00 0.01 0.00 0.00 72.50 69.90 1k85 s THR 561 CO 0.00 0.52 1.70 0.00 -0.69 0.00 0.00 174.62 176.15 1k85 n ALA 562 N 3.35 2.72 -1.43 7.40 0.00 -1.26 -4.43 120.51 126.86 1k85 n ALA 562 Ca -0.18 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1k85 n ALA 562 Cb 0.53 -2.51 0.01 0.00 0.00 0.00 0.00 19.45 17.48 1k85 n ALA 562 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k85 n PRO 563 N 3.70 0.49 -5.28 0.00 -0.02 -1.26 -4.90 135.00 127.74 1k85 n PRO 563 Ca 0.15 0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 1k85 n PRO 563 Cb 0.35 -1.45 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.52 2.06 -0.19 3.45 -4.23 -1.18 -4.20 115.64 109.83 1k85 s THR 564 Ca 0.63 -1.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1k85 s THR 564 Cb -0.59 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1k85 s THR 564 CO 0.58 0.57 0.08 0.59 -0.54 0.00 0.00 174.62 175.91 1k85 n ASN 565 N 2.75 -5.41 -4.92 3.99 5.03 -1.26 -1.92 115.26 113.52 1k85 n ASN 565 Ca -0.17 1.21 -0.26 0.00 0.87 0.00 0.00 54.58 56.23 1k85 n ASN 565 Cb 0.52 -4.36 -0.00 0.00 -1.02 0.00 0.00 39.78 34.91 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1k85 s LEU 566 N -1.07 3.74 0.37 3.41 2.96 -1.26 -3.30 118.68 123.52 1k85 s LEU 566 Ca -0.09 0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 1k85 s LEU 566 Cb 0.01 -3.66 0.06 0.00 0.50 0.00 0.00 46.19 43.10 1k85 s LEU 566 CO 0.59 -0.51 0.81 0.00 -1.32 0.00 0.00 176.35 175.92 1k85 s ALA 567 N -2.61 -0.83 0.00 5.97 0.00 0.34 -4.96 121.76 119.68 1k85 s ALA 567 Ca 0.45 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1k85 s ALA 567 Cb -0.10 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1k85 s ALA 567 CO 0.42 -0.99 0.13 -1.54 0.00 0.00 0.00 175.76 173.77 1k85 s SER 568 N -3.10 0.03 0.00 0.00 1.04 -1.26 -1.34 113.70 109.07 1k85 s SER 568 Ca 0.16 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1k85 s SER 568 Cb -0.05 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1k85 s SER 568 CO 0.11 -0.35 0.00 0.35 0.98 0.00 0.00 173.24 174.33 1k85 n THR 569 N 1.54 0.00 -2.81 2.02 -2.24 -1.00 -4.92 114.28 106.87 1k85 n THR 569 Ca -0.22 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1k85 n THR 569 Cb 0.56 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1k85 n THR 569 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 570 N -2.00 3.33 -0.15 6.98 0.00 -1.26 -4.91 121.76 123.76 1k85 s ALA 570 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1k85 s ALA 570 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1k85 s ALA 570 CO 0.00 -1.80 0.02 -1.14 0.00 0.00 0.00 175.76 172.84 1k85 s GLN 571 N 3.60 0.65 0.00 0.00 0.74 -1.26 0.39 119.66 123.78 1k85 s GLN 571 Ca 0.38 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.57 1k85 s GLN 571 Cb -0.11 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.33 1k85 s GLN 571 CO 0.22 -0.51 0.00 0.25 -0.55 0.00 0.00 175.29 174.71 1k85 n THR 572 N 5.09 0.00 -0.24 -0.34 -2.24 -0.21 -4.99 114.28 111.34 1k85 n THR 572 Ca -0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1k85 n THR 572 Cb 0.48 -0.80 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.46 2.23 0.00 4.28 -2.24 -1.26 -4.20 114.28 112.63 1k85 n THR 573 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1k85 n THR 573 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.42 0.00 -4.66 3.42 3.41 -1.26 -4.28 113.62 109.83 1k85 n SER 574 Ca 0.33 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.66 1k85 n SER 574 Cb 1.16 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.99 4.00 -0.02 4.04 1.04 -1.26 -1.20 113.70 119.30 1k85 s SER 575 Ca 0.00 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 54.74 1k85 s SER 575 Cb 0.00 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.97 1k85 s SER 575 CO 0.00 -0.55 0.65 -0.51 0.98 0.00 0.00 173.24 173.81 1k85 s ILE 576 N -2.73 0.00 -0.07 -1.02 2.07 -0.54 -1.05 121.20 117.86 1k85 s ILE 576 Ca 0.30 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1k85 s ILE 576 Cb 0.08 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1k85 s ILE 576 CO 0.16 -0.01 -0.24 -0.89 -1.91 0.00 0.00 174.94 172.05 1k85 s THR 577 N -1.50 2.15 -0.08 4.00 2.01 0.16 -2.26 115.64 120.12 1k85 s THR 577 Ca -0.10 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1k85 s THR 577 Cb -0.00 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 1k85 s THR 577 CO 0.07 0.57 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.13 1k85 s LEU 578 N -0.01 2.01 -0.09 4.42 2.96 -0.96 -2.38 118.68 124.62 1k85 s LEU 578 Ca -0.08 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1k85 s LEU 578 Cb -0.15 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.27 1k85 s LEU 578 CO 0.05 0.16 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.53 1k85 s SER 579 N 0.27 2.28 0.23 3.68 0.15 -0.45 -1.35 113.70 118.51 1k85 s SER 579 Ca -0.14 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1k85 s SER 579 Cb -0.16 -1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 63.07 1k85 s SER 579 CO 0.07 0.05 0.11 -1.66 1.20 0.00 0.00 173.24 173.01 1k85 s TRP 580 N 0.76 1.35 0.04 3.44 -2.14 -1.14 -0.51 118.94 120.74 1k85 s TRP 580 Ca -0.12 -1.29 -0.25 0.00 2.66 0.00 0.00 56.10 57.11 1k85 s TRP 580 Cb -0.16 -0.73 -0.05 0.00 -3.10 0.00 0.00 33.47 29.43 1k85 s TRP 580 CO 0.02 -0.49 0.76 0.99 -2.66 0.00 0.00 176.95 175.57 1k85 s THR 581 N -3.96 4.73 1.10 0.66 2.01 -0.81 -4.89 115.64 114.48 1k85 s THR 581 Ca 0.38 1.62 -0.12 0.00 0.31 0.00 0.00 61.69 63.88 1k85 s THR 581 Cb 0.07 -4.11 0.25 0.00 0.01 0.00 0.00 72.50 68.72 1k85 s THR 581 CO 0.13 0.37 1.05 0.00 -0.69 0.00 0.00 174.62 175.48 1k85 s ALA 582 N -0.06 0.05 0.67 7.40 0.00 -1.26 -3.11 121.76 125.44 1k85 s ALA 582 Ca 0.38 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1k85 s ALA 582 Cb -0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1k85 s ALA 582 CO 0.23 -3.49 1.07 -1.12 0.00 0.00 0.00 175.76 172.44 1k85 s SER 583 N -2.79 5.75 0.00 0.00 0.01 -1.26 -4.64 113.70 110.77 1k85 s SER 583 Ca 0.67 1.27 0.29 0.00 1.31 0.00 0.00 55.95 59.50 1k85 s SER 583 Cb -0.23 -2.17 1.41 0.00 0.21 0.00 0.00 66.02 65.24 1k85 s SER 583 CO 0.62 -1.16 2.00 0.35 0.41 0.00 0.00 173.24 175.46 1k85 n THR 584 N -2.91 0.02 -3.18 1.44 -2.24 -1.26 -3.95 114.28 102.20 1k85 n THR 584 Ca 0.07 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1k85 n THR 584 Cb 0.56 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 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 -1.36 3.21 0.00 3.42 9.92 -1.26 -4.86 116.55 125.63 1k85 n ASP 585 Ca 0.12 -3.39 0.12 0.00 -0.53 0.00 0.00 54.79 51.10 1k85 n ASP 585 Cb 0.27 -0.62 0.69 0.00 -0.64 0.00 0.00 41.12 40.83 1k85 n ASP 585 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1k85 n ASN 586 N 0.42 0.00 0.00 -2.24 3.02 -1.25 -3.10 115.26 112.10 1k85 n ASN 586 Ca 0.29 -0.88 0.09 0.00 -0.03 0.00 0.00 54.58 54.05 1k85 n ASN 586 Cb 0.45 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 40.02 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k85 n VAL 587 N -0.95 0.70 0.00 2.41 0.31 -1.26 -3.54 118.33 115.99 1k85 n VAL 587 Ca 0.17 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1k85 n VAL 587 Cb 0.08 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 0.40 0.00 3.77 2.92 0.00 -1.18 -5.07 105.19 106.03 1k85 n GLY 588 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N -0.98 3.11 0.00 1.61 1.01 -1.23 -3.17 120.40 120.75 1k85 s VAL 589 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1k85 s VAL 589 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1k85 s VAL 589 CO 0.00 0.18 0.00 1.07 0.00 0.00 0.00 175.10 176.35 1k85 n THR 590 N 0.58 0.00 -4.00 3.92 5.66 -1.16 -4.92 114.28 114.36 1k85 n THR 590 Ca 0.02 -0.30 0.03 0.00 -3.05 0.00 0.00 64.05 60.75 1k85 n THR 590 Cb 0.45 0.91 0.01 0.00 -1.55 0.00 0.00 70.33 70.14 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k85 n GLY 591 N 0.84 0.25 3.18 1.09 0.00 -1.26 -4.67 105.19 104.64 1k85 n GLY 591 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.17 1.01 -0.10 1.61 1.51 -0.69 -2.56 117.35 115.96 1k85 s TYR 592 Ca 0.24 -0.77 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 1k85 s TYR 592 Cb -0.00 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.29 1k85 s TYR 592 CO -0.01 -0.05 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.64 1k85 s ASP 593 N -2.80 3.03 -0.10 2.29 1.01 -0.39 -2.43 116.67 117.29 1k85 s ASP 593 Ca 0.10 -0.55 -0.07 0.00 0.71 0.00 0.00 52.55 52.74 1k85 s ASP 593 Cb 0.01 -1.38 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 1k85 s ASP 593 CO -0.02 0.15 0.16 -0.69 0.21 0.00 0.00 175.17 174.98 1k85 s VAL 594 N 0.39 5.47 0.08 -1.27 1.01 -1.11 -0.84 120.40 124.13 1k85 s VAL 594 Ca -0.18 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1k85 s VAL 594 Cb -0.18 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1k85 s VAL 594 CO 0.08 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.22 1k85 s TYR 595 N -1.08 1.93 -0.38 5.22 1.51 0.42 -1.28 117.35 123.70 1k85 s TYR 595 Ca 0.17 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1k85 s TYR 595 Cb -0.12 -1.09 0.14 0.00 -0.11 0.00 0.00 41.96 40.78 1k85 s TYR 595 CO 0.07 0.19 0.23 1.21 -1.11 0.00 0.00 175.55 176.13 1k85 s ASN 596 N -1.65 2.95 -0.20 2.29 2.47 -0.47 -1.45 114.94 118.89 1k85 s ASN 596 Ca 0.08 -2.36 -0.01 0.00 0.42 0.00 0.00 52.86 50.99 1k85 s ASN 596 Cb -0.10 -0.52 -0.01 0.00 -1.45 0.00 0.00 41.25 39.17 1k85 s ASN 596 CO 0.04 -0.29 0.17 0.61 -3.72 0.00 0.00 177.10 173.91 1k85 n GLY 597 N 3.82 0.51 3.96 1.21 0.00 -0.86 -3.97 105.19 109.87 1k85 n GLY 597 Ca 0.13 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.80 -2.48 -3.65 2.61 -2.24 -1.26 -4.96 114.28 100.49 1k85 n THR 598 Ca -0.02 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1k85 n THR 598 Cb 0.52 -2.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.02 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 -3.54 -1.70 0.17 6.98 0.00 -1.25 -5.14 121.76 117.28 1k85 s ALA 599 Ca 0.39 2.04 -0.34 0.00 0.00 0.00 0.00 51.96 54.06 1k85 s ALA 599 Cb -0.20 -1.57 -0.14 0.00 0.00 0.00 0.00 23.12 21.20 1k85 s ALA 599 CO 0.87 -0.81 1.54 -0.11 0.00 0.00 0.00 175.76 177.25 1k85 n LEU 600 N 5.32 3.04 0.00 0.00 -0.00 -1.26 -1.36 117.00 122.73 1k85 n LEU 600 Ca -0.12 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.99 1k85 n LEU 600 Cb 0.50 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1k85 n LEU 600 CO -0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 177.39 177.02 1k85 n ALA 601 N 3.14 0.09 -1.96 1.96 0.00 -0.40 -4.87 120.51 118.47 1k85 n ALA 601 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1k85 n ALA 601 Cb 0.29 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.80 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 0.87 2.45 -0.04 0.00 -1.32 -1.26 -4.97 115.64 111.37 1k85 s THR 602 Ca 0.00 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1k85 s THR 602 Cb 0.00 -2.92 0.03 0.00 -1.51 0.00 0.00 72.50 68.10 1k85 s THR 602 CO 0.00 0.00 0.00 -0.89 -2.21 0.00 0.00 174.62 171.52 1k85 s THR 603 N -2.99 0.19 0.35 5.08 2.01 -1.26 -2.74 115.64 116.28 1k85 s THR 603 Ca 0.60 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.75 1k85 s THR 603 Cb -0.09 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1k85 s THR 603 CO 0.41 0.16 0.13 1.33 -0.69 0.00 0.00 174.62 175.96 1k85 n VAL 604 N 4.35 0.00 0.00 3.82 0.24 -1.02 -4.98 118.33 120.75 1k85 n VAL 604 Ca -0.22 -2.05 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 1k85 n VAL 604 Cb 0.50 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.79 0.00 0.00 3.34 -2.24 -1.26 -1.70 114.28 111.63 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 0.53 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.10 0.77 0.00 3.38 0.00 -1.26 -4.16 105.19 105.01 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 0.50 -4.23 2.61 -2.24 -1.26 -4.72 114.28 104.94 1k85 n THR 607 Ca 0.00 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.03 1k85 n THR 607 Cb 0.00 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.50 1.32 0.15 4.28 -4.23 -1.26 -2.90 115.64 112.50 1k85 s THR 608 Ca 0.00 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1k85 s THR 608 Cb 0.00 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1k85 s THR 608 CO 0.00 -0.32 -0.16 0.00 -0.54 0.00 0.00 174.62 173.60 1k85 s ALA 609 N -1.79 1.81 -0.20 3.99 0.00 -0.46 -4.73 121.76 120.39 1k85 s ALA 609 Ca 0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 1k85 s ALA 609 Cb -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1k85 s ALA 609 CO 0.03 0.16 0.04 0.99 0.00 0.00 0.00 175.76 176.98 1k85 s THR 610 N -2.22 0.51 -0.27 0.00 2.01 -1.26 -2.27 115.64 112.14 1k85 s THR 610 Ca 0.14 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1k85 s THR 610 Cb -0.05 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.41 1k85 s THR 610 CO 0.05 -0.26 0.02 -0.63 -0.69 0.00 0.00 174.62 173.12 1k85 s ILE 611 N 1.86 3.61 0.25 1.82 1.09 -0.96 -4.88 121.20 124.00 1k85 s ILE 611 Ca 0.00 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 58.87 1k85 s ILE 611 Cb -0.17 -2.81 0.03 0.00 -1.06 0.00 0.00 42.46 38.44 1k85 s ILE 611 CO -0.10 0.18 0.21 -0.24 -0.10 0.00 0.00 174.94 174.89 1k85 n SER 612 N 4.81 1.70 -2.79 3.58 2.88 -1.26 -1.46 113.62 121.08 1k85 n SER 612 Ca -0.16 -1.85 -0.14 0.00 -1.33 0.00 0.00 58.87 55.40 1k85 n SER 612 Cb 0.48 -0.04 0.06 0.00 -0.75 0.00 0.00 64.21 63.97 1k85 n SER 612 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k85 n GLY 613 N 1.94 -0.15 3.72 0.46 0.00 -0.93 -4.90 105.19 105.33 1k85 n GLY 613 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.32 2.70 0.24 0.99 1.43 -0.34 -5.06 118.68 113.33 1k85 s LEU 614 Ca 0.10 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.81 1k85 s LEU 614 Cb -0.05 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1k85 s LEU 614 CO 0.54 -0.68 0.10 0.00 0.23 0.00 0.00 176.35 176.54 1k85 s ALA 615 N -2.75 1.59 0.74 4.21 0.00 -1.26 -4.20 121.76 120.08 1k85 s ALA 615 Ca 0.26 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.32 1k85 s ALA 615 Cb 0.05 1.12 0.08 0.00 0.00 0.00 0.00 23.12 24.36 1k85 s ALA 615 CO 0.14 -0.49 1.06 0.00 0.00 0.00 0.00 175.76 176.47 1k85 s ALA 616 N -3.85 3.05 -1.43 0.00 0.00 -1.26 -4.31 121.76 113.96 1k85 s ALA 616 Ca 0.38 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 1k85 s ALA 616 Cb 0.08 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.61 1k85 s ALA 616 CO 0.13 -1.46 1.00 -0.25 0.00 0.00 0.00 175.76 175.18 1k85 n ASP 617 N -3.04 -4.45 -3.97 0.00 9.92 -1.26 -4.99 116.55 108.77 1k85 n ASP 617 Ca 0.09 -0.71 -0.14 0.00 -0.53 0.00 0.00 54.79 53.50 1k85 n ASP 617 Cb 0.60 -4.32 -0.13 0.00 -0.64 0.00 0.00 41.12 36.63 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 -3.37 0.32 -0.17 -3.53 2.01 -1.26 -5.02 115.64 104.62 1k85 s THR 618 Ca 0.49 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 1k85 s THR 618 Cb -0.23 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1k85 s THR 618 CO 0.79 -0.08 0.19 -0.55 -0.69 0.00 0.00 174.62 174.29 1k85 s SER 619 N -0.55 6.33 -0.10 3.53 0.15 -1.26 -2.23 113.70 119.57 1k85 s SER 619 Ca -0.03 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1k85 s SER 619 Cb -0.04 -2.12 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1k85 s SER 619 CO -0.00 0.20 -0.14 -0.31 1.20 0.00 0.00 173.24 174.20 1k85 s TYR 620 N 0.09 1.79 -0.36 3.44 2.02 -1.07 -5.02 117.35 118.24 1k85 s TYR 620 Ca 0.12 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 55.96 1k85 s TYR 620 Cb -0.12 -1.31 0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1k85 s TYR 620 CO 0.01 -0.43 0.13 0.95 -1.57 0.00 0.00 175.55 174.64 1k85 s THR 621 N 0.99 3.69 0.17 -0.71 -4.23 -1.26 -1.39 115.64 112.90 1k85 s THR 621 Ca -0.07 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1k85 s THR 621 Cb -0.15 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 1k85 s THR 621 CO -0.01 -0.30 0.30 -0.36 -0.54 0.00 0.00 174.62 173.71 1k85 s PHE 622 N 1.35 3.47 -0.29 3.99 0.08 -0.53 -2.03 117.98 124.02 1k85 s PHE 622 Ca -0.00 0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 1k85 s PHE 622 Cb -0.21 -1.64 0.12 0.00 -0.57 0.00 0.00 43.02 40.72 1k85 s PHE 622 CO 0.01 0.50 0.63 0.95 -0.10 0.00 0.00 175.22 177.21 1k85 s THR 623 N -1.81 -0.76 0.21 0.64 -4.23 -0.53 -2.61 115.64 106.55 1k85 s THR 623 Ca 0.34 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1k85 s THR 623 Cb -0.10 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1k85 s THR 623 CO 0.29 0.01 0.35 -0.69 -0.54 0.00 0.00 174.62 174.03 1k85 s VAL 624 N 2.60 5.27 0.04 2.29 1.01 -1.26 -0.44 120.40 129.91 1k85 s VAL 624 Ca -0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1k85 s VAL 624 Cb -0.11 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1k85 s VAL 624 CO -0.19 -0.24 -0.03 -0.54 0.00 0.00 0.00 175.10 174.10 1k85 s LYS 625 N -3.65 0.46 -0.16 2.72 1.02 -0.02 -1.67 119.74 118.45 1k85 s LYS 625 Ca 0.35 -0.92 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 1k85 s LYS 625 Cb -0.10 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1k85 s LYS 625 CO 0.29 -0.08 0.05 0.00 -0.92 0.00 0.00 175.35 174.69 1k85 s ALA 626 N -2.70 3.38 0.27 5.17 0.00 -1.26 -1.26 121.76 125.36 1k85 s ALA 626 Ca -0.04 -0.75 0.11 0.00 0.00 0.00 0.00 51.96 51.28 1k85 s ALA 626 Cb -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1k85 s ALA 626 CO -0.06 0.28 -0.19 -1.59 0.00 0.00 0.00 175.76 174.20 1k85 s LYS 627 N 0.08 1.63 0.52 0.00 -2.85 -1.06 -1.89 119.74 116.18 1k85 s LYS 627 Ca 0.04 -1.74 0.04 0.00 -1.00 0.00 0.00 55.97 53.32 1k85 s LYS 627 Cb -0.12 -1.69 0.02 0.00 -2.06 0.00 0.00 37.83 33.97 1k85 s LYS 627 CO 0.01 0.31 0.27 0.16 0.10 0.00 0.00 175.35 176.21 1k85 s ASP 628 N -3.46 4.48 0.47 0.03 -4.77 0.14 -2.97 116.67 110.59 1k85 s ASP 628 Ca 0.29 -1.35 0.27 0.00 -3.30 0.00 0.00 52.55 48.46 1k85 s ASP 628 Cb -0.05 0.38 0.70 0.00 -1.09 0.00 0.00 42.92 42.86 1k85 s ASP 628 CO 0.14 -0.99 1.74 0.00 0.70 0.00 0.00 175.17 176.76 1k85 h ALA 629 N 0.97 1.00 -0.97 2.11 0.00 -1.89 -3.18 119.26 117.29 1k85 h ALA 629 Ca -0.39 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.99 1k85 h ALA 629 Cb 1.30 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.79 1k85 h ALA 629 CO 0.63 0.00 0.66 0.00 0.00 0.00 0.00 179.25 180.54 1k85 n ALA 630 N -2.08 5.67 -2.95 0.00 0.00 -1.26 -4.96 120.51 114.93 1k85 n ALA 630 Ca 0.03 -3.01 -0.12 0.00 0.00 0.00 0.00 53.44 50.34 1k85 n ALA 630 Cb 0.45 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.11 -1.40 3.64 0.00 0.00 -1.20 -5.05 105.19 100.07 1k85 n GLY 631 Ca 0.59 1.13 -0.05 0.00 0.00 0.00 0.00 46.02 47.70 1k85 n GLY 631 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k85 s ASN 632 N -2.28 -1.00 0.04 1.61 3.84 -1.26 -4.94 114.94 110.95 1k85 s ASN 632 Ca 0.24 1.51 0.08 0.00 0.21 0.00 0.00 52.86 54.90 1k85 s ASN 632 Cb -0.06 1.69 -0.03 0.00 -0.55 0.00 0.00 41.25 42.30 1k85 s ASN 632 CO 0.77 -0.23 -0.24 0.68 -2.79 0.00 0.00 177.10 175.29 1k85 s VAL 633 N 2.05 1.93 0.00 -5.21 -7.23 -1.26 -0.69 120.40 110.00 1k85 s VAL 633 Ca -0.09 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1k85 s VAL 633 Cb -0.07 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1k85 s VAL 633 CO -0.20 0.33 0.00 -0.24 -0.31 0.00 0.00 175.10 174.69 1k85 n SER 634 N 1.90 0.00 -4.65 4.85 2.88 -0.79 -4.76 113.62 113.05 1k85 n SER 634 Ca -0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.13 1k85 n SER 634 Cb 0.52 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.09 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 -3.86 3.56 0.02 -1.46 0.00 -1.26 -4.87 121.76 113.90 1k85 s ALA 635 Ca 0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1k85 s ALA 635 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.96 1k85 s ALA 635 CO 0.00 -1.51 0.52 0.00 0.00 0.00 0.00 175.76 174.77 1k85 s ALA 636 N -3.20 3.59 1.00 0.00 0.00 -1.26 -4.41 121.76 117.48 1k85 s ALA 636 Ca 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1k85 s ALA 636 Cb -0.06 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1k85 s ALA 636 CO 0.45 0.34 0.00 -1.13 0.00 0.00 0.00 175.76 175.42 1k85 n SER 637 N 2.11 -1.24 -3.62 0.00 3.41 -0.67 -4.91 113.62 108.71 1k85 n SER 637 Ca -0.10 -0.38 -0.30 0.00 -0.26 0.00 0.00 58.87 57.83 1k85 n SER 637 Cb 0.51 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.62 -0.46 -0.24 4.04 0.02 -1.26 -4.82 114.94 110.60 1k85 s ASN 638 Ca 0.00 0.86 -0.07 0.00 -1.02 0.00 0.00 52.86 52.63 1k85 s ASN 638 Cb 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 41.25 40.02 1k85 s ASN 638 CO 0.00 -5.00 0.06 0.00 0.02 0.00 0.00 177.10 172.19 1k85 s ALA 639 N -2.46 3.17 -0.27 0.60 0.00 -1.26 -4.58 121.76 116.96 1k85 s ALA 639 Ca 0.69 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1k85 s ALA 639 Cb -0.13 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1k85 s ALA 639 CO 0.58 -0.40 -0.00 0.08 0.00 0.00 0.00 175.76 176.02 1k85 s VAL 640 N 1.45 3.38 -0.48 0.00 1.01 -1.07 -4.99 120.40 119.69 1k85 s VAL 640 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 1k85 s VAL 640 Cb -0.15 -2.71 0.10 0.00 0.00 0.00 0.00 36.38 33.62 1k85 s VAL 640 CO 0.03 0.17 0.40 -0.55 0.00 0.00 0.00 175.10 175.15 1k85 s SER 641 N 1.41 5.99 -0.27 3.32 0.15 -1.26 -1.46 113.70 121.58 1k85 s SER 641 Ca 0.02 -1.62 -0.04 0.00 0.70 0.00 0.00 55.95 55.00 1k85 s SER 641 Cb -0.17 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1k85 s SER 641 CO -0.01 -0.71 0.01 0.68 1.20 0.00 0.00 173.24 174.41 1k85 s VAL 642 N 1.54 3.44 -0.25 4.45 -7.23 -0.49 -4.96 120.40 116.90 1k85 s VAL 642 Ca 0.04 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.20 1k85 s VAL 642 Cb -0.26 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1k85 s VAL 642 CO 0.03 0.12 0.31 -0.54 -0.31 0.00 0.00 175.10 174.72 1k85 s LYS 643 N 1.41 4.05 0.00 4.82 1.02 -1.26 -2.59 119.74 127.19 1k85 s LYS 643 Ca 0.01 -0.04 0.31 0.00 0.02 0.00 0.00 55.97 56.27 1k85 s LYS 643 Cb -0.17 -3.61 1.63 0.00 -0.52 0.00 0.00 37.83 35.16 1k85 s LYS 643 CO -0.01 -0.15 2.07 0.25 -0.92 0.00 0.00 175.35 176.59