#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 -1.58 -3.21 -0.41 0.00 -1.26 -4.89 117.12 105.76 1k85 n MET 558 Ca 0.00 0.96 -0.31 0.00 0.00 0.00 0.00 57.70 58.35 1k85 n MET 558 Cb 0.00 -5.40 -0.04 0.00 0.00 0.00 0.00 33.22 27.78 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 -2.62 3.50 1.00 3.04 0.00 -1.26 -4.87 121.76 120.54 1k85 s ALA 559 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1k85 s ALA 559 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1k85 s ALA 559 CO 0.00 0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.68 1k85 n PRO 560 N -0.71 2.23 -4.38 0.00 -0.04 -1.26 -4.91 135.00 125.93 1k85 n PRO 560 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1k85 n PRO 560 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 4.19 0.13 0.52 -4.23 -1.26 -4.55 115.64 110.44 1k85 s THR 561 Ca 0.00 -0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 59.92 1k85 s THR 561 Cb 0.00 -2.78 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1k85 s THR 561 CO 0.00 0.57 1.46 0.00 -0.54 0.00 0.00 174.62 176.11 1k85 s ALA 562 N -0.49 3.67 0.66 3.99 0.00 -1.26 -4.53 121.76 123.79 1k85 s ALA 562 Ca 0.08 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 1k85 s ALA 562 Cb -0.12 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 1k85 s ALA 562 CO 0.02 -0.69 0.27 -2.30 0.00 0.00 0.00 175.76 173.07 1k85 n PRO 563 N 3.99 0.26 -4.19 0.00 -0.02 -1.26 -4.86 135.00 128.92 1k85 n PRO 563 Ca 0.12 0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1k85 n PRO 563 Cb 0.41 -1.55 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.89 0.63 -1.53 3.45 -1.32 -1.22 -4.02 115.64 109.73 1k85 s THR 564 Ca 0.62 -1.94 -0.03 0.00 -1.21 0.00 0.00 61.69 59.13 1k85 s THR 564 Cb -0.39 -1.84 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 1k85 s THR 564 CO 0.61 -0.72 0.46 -3.20 -2.21 0.00 0.00 174.62 169.55 1k85 n ASN 565 N -0.10 -5.88 -4.65 8.08 2.85 -1.26 -0.92 115.26 113.38 1k85 n ASN 565 Ca -0.10 -0.22 -0.43 0.00 -0.11 0.00 0.00 54.58 53.73 1k85 n ASN 565 Cb 0.62 -4.75 -0.03 0.00 1.24 0.00 0.00 39.78 36.87 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 -6.23 4.09 -0.02 1.20 1.98 -1.26 -4.44 118.68 114.01 1k85 s LEU 566 Ca 0.23 1.88 -0.07 0.00 -2.89 0.00 0.00 54.13 53.28 1k85 s LEU 566 Cb -0.10 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.22 1k85 s LEU 566 CO 0.28 -1.07 0.15 0.00 -1.89 0.00 0.00 176.35 173.82 1k85 s ALA 567 N 4.57 -0.37 0.35 5.97 0.00 -0.50 -4.68 121.76 127.11 1k85 s ALA 567 Ca 0.70 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 1k85 s ALA 567 Cb -0.28 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1k85 s ALA 567 CO 0.28 -0.16 0.78 -1.54 0.00 0.00 0.00 175.76 175.12 1k85 s SER 568 N -0.80 6.76 0.00 0.00 1.04 -1.26 -1.75 113.70 117.69 1k85 s SER 568 Ca -0.09 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1k85 s SER 568 Cb -0.05 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1k85 s SER 568 CO 0.01 -0.26 0.00 0.35 0.98 0.00 0.00 173.24 174.32 1k85 n THR 569 N -0.56 0.00 -2.93 2.02 -2.24 -0.87 -4.94 114.28 104.77 1k85 n THR 569 Ca 0.04 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1k85 n THR 569 Cb 0.53 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 3.21 -0.02 6.98 0.00 -1.25 -4.95 121.76 123.72 1k85 s ALA 570 Ca 0.00 -1.99 0.08 0.00 0.00 0.00 0.00 51.96 50.04 1k85 s ALA 570 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1k85 s ALA 570 CO 0.00 -2.68 -0.25 -1.14 0.00 0.00 0.00 175.76 171.69 1k85 s GLN 571 N 3.63 2.14 0.00 0.00 0.74 -1.26 -1.10 119.66 123.81 1k85 s GLN 571 Ca 0.20 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1k85 s GLN 571 Cb -0.18 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.86 1k85 s GLN 571 CO 0.08 0.56 0.00 0.25 -0.55 0.00 0.00 175.29 175.64 1k85 n THR 572 N 2.41 0.00 -0.12 -0.34 -2.24 -0.13 -5.00 114.28 108.87 1k85 n THR 572 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 1k85 n THR 572 Cb 0.51 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.80 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 2.05 0.07 4.28 -2.24 -1.26 -4.34 114.28 112.84 1k85 n THR 573 Ca 0.00 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1k85 n THR 573 Cb 0.00 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.23 -4.53 3.42 3.41 -1.25 -4.62 113.62 108.93 1k85 n SER 574 Ca 0.22 0.39 -0.34 0.00 -0.26 0.00 0.00 58.87 58.88 1k85 n SER 574 Cb 0.82 1.38 -0.12 0.00 -0.26 0.00 0.00 64.21 66.04 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 -2.00 4.58 -0.02 4.04 1.04 -1.25 -2.96 113.70 117.13 1k85 s SER 575 Ca 0.00 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1k85 s SER 575 Cb 0.00 -1.38 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 1k85 s SER 575 CO 0.00 0.28 -0.16 -0.51 0.98 0.00 0.00 173.24 173.84 1k85 s ILE 576 N -0.34 1.26 -0.21 -1.02 2.07 -1.07 -0.95 121.20 120.93 1k85 s ILE 576 Ca 0.05 -0.67 -0.04 0.00 -1.41 0.00 0.00 60.65 58.57 1k85 s ILE 576 Cb -0.12 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.40 1k85 s ILE 576 CO 0.02 0.36 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.50 1k85 s THR 577 N -0.31 3.65 -0.05 4.00 2.01 -0.26 -2.55 115.64 122.14 1k85 s THR 577 Ca 0.05 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1k85 s THR 577 Cb -0.07 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1k85 s THR 577 CO -0.00 0.42 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 1k85 s LEU 578 N 1.26 3.34 -0.04 4.42 1.43 -0.69 -2.04 118.68 126.36 1k85 s LEU 578 Ca 0.03 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1k85 s LEU 578 Cb -0.14 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1k85 s LEU 578 CO -0.00 0.34 -0.08 -0.55 0.23 0.00 0.00 176.35 176.28 1k85 s SER 579 N -1.05 1.21 0.21 2.29 0.15 -0.72 -1.40 113.70 114.39 1k85 s SER 579 Ca 0.15 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 1k85 s SER 579 Cb -0.11 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.75 1k85 s SER 579 CO 0.04 0.03 0.27 -1.66 1.20 0.00 0.00 173.24 173.12 1k85 s TRP 580 N 0.43 0.82 -0.08 3.44 -2.14 -1.25 -1.41 118.94 118.76 1k85 s TRP 580 Ca -0.07 -1.10 -0.25 0.00 2.66 0.00 0.00 56.10 57.34 1k85 s TRP 580 Cb -0.11 -0.25 -0.03 0.00 -3.10 0.00 0.00 33.47 29.98 1k85 s TRP 580 CO 0.01 -0.77 0.79 0.99 -2.66 0.00 0.00 176.95 175.31 1k85 s THR 581 N -4.10 4.97 0.65 0.66 2.01 -0.10 -4.87 115.64 114.87 1k85 s THR 581 Ca 0.31 1.62 -0.18 0.00 0.31 0.00 0.00 61.69 63.75 1k85 s THR 581 Cb 0.04 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1k85 s THR 581 CO 0.10 0.17 1.23 0.00 -0.69 0.00 0.00 174.62 175.43 1k85 n ALA 582 N 4.20 0.92 -1.72 7.40 0.00 -1.26 -3.45 120.51 126.60 1k85 n ALA 582 Ca 0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1k85 n ALA 582 Cb 0.51 -2.28 0.06 0.00 0.00 0.00 0.00 19.45 17.73 1k85 n ALA 582 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k85 s SER 583 N -1.39 4.71 -0.01 0.00 1.04 -1.26 -4.86 113.70 111.93 1k85 s SER 583 Ca 0.81 2.56 0.06 0.00 0.48 0.00 0.00 55.95 59.87 1k85 s SER 583 Cb -0.38 -2.61 0.19 0.00 0.10 0.00 0.00 66.02 63.32 1k85 s SER 583 CO 0.42 -1.93 1.10 0.35 0.98 0.00 0.00 173.24 174.16 1k85 n THR 584 N -1.87 0.36 -2.23 2.02 -2.24 -1.26 -3.89 114.28 105.17 1k85 n THR 584 Ca 0.15 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 1k85 n THR 584 Cb 0.49 0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.12 4.91 -3.29 3.42 2.03 -1.26 -5.01 116.55 117.48 1k85 n ASP 585 Ca 0.07 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.64 1k85 n ASP 585 Cb 0.23 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1k85 n ASP 585 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1k85 n ASN 586 N -0.60 -0.68 0.00 1.67 3.02 -1.25 -3.90 115.26 113.52 1k85 n ASN 586 Ca 0.42 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1k85 n ASN 586 Cb 0.80 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.66 0.00 -0.04 2.41 0.31 -1.26 -4.31 118.33 113.78 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 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.00 0.32 3.81 2.92 0.00 -1.26 -5.10 105.19 103.88 1k85 n GLY 588 Ca 0.00 0.00 -0.35 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 0.00 4.42 -0.15 1.61 1.01 -1.25 -3.91 120.40 122.14 1k85 s VAL 589 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 1k85 s VAL 589 Cb 0.00 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1k85 s VAL 589 CO 0.00 0.00 -0.25 1.07 0.00 0.00 0.00 175.10 175.93 1k85 n THR 590 N 0.19 1.22 -3.54 3.92 5.66 -1.11 -4.89 114.28 115.74 1k85 n THR 590 Ca 0.02 -0.05 -0.03 0.00 -3.05 0.00 0.00 64.05 60.94 1k85 n THR 590 Cb 0.52 -1.92 -0.00 0.00 -1.55 0.00 0.00 70.33 67.37 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 1.91 2.60 2.96 1.09 0.00 -1.24 -4.78 105.19 107.74 1k85 n GLY 591 Ca -0.26 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 -5.33 1.18 -0.28 1.61 2.02 -0.48 -2.62 117.35 113.45 1k85 s TYR 592 Ca 0.06 -0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1k85 s TYR 592 Cb -0.00 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1k85 s TYR 592 CO 0.04 -0.26 0.09 -0.51 -1.57 0.00 0.00 175.55 173.35 1k85 s ASP 593 N 0.82 5.24 -0.14 2.29 1.01 -0.93 -1.80 116.67 123.16 1k85 s ASP 593 Ca -0.12 -0.41 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 1k85 s ASP 593 Cb -0.15 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 1k85 s ASP 593 CO 0.02 -0.11 0.14 0.54 0.21 0.00 0.00 175.17 175.97 1k85 s VAL 594 N 1.59 5.47 0.51 -1.27 0.11 -1.11 -1.35 120.40 124.35 1k85 s VAL 594 Ca 0.05 0.22 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1k85 s VAL 594 Cb -0.16 -3.43 0.05 0.00 -1.53 0.00 0.00 36.38 31.31 1k85 s VAL 594 CO 0.04 0.56 0.64 -0.31 -3.33 0.00 0.00 175.10 172.70 1k85 s TYR 595 N -0.61 1.99 -0.36 1.54 1.51 0.05 -1.35 117.35 120.12 1k85 s TYR 595 Ca 0.13 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 1k85 s TYR 595 Cb -0.12 -2.22 0.14 0.00 -0.11 0.00 0.00 41.96 39.65 1k85 s TYR 595 CO 0.02 -0.74 0.23 1.21 -1.11 0.00 0.00 175.55 175.16 1k85 s ASN 596 N -4.47 2.75 0.00 2.29 3.04 0.12 -3.26 114.94 115.41 1k85 s ASN 596 Ca 0.55 -2.21 0.00 0.00 0.04 0.00 0.00 52.86 51.24 1k85 s ASN 596 Cb -0.06 -0.34 0.00 0.00 -1.54 0.00 0.00 41.25 39.31 1k85 s ASN 596 CO 0.34 -0.30 0.00 0.61 -3.04 0.00 0.00 177.10 174.71 1k85 n GLY 597 N 3.97 2.09 0.00 1.21 0.00 0.02 -3.24 105.19 109.24 1k85 n GLY 597 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.87 2.61 -2.24 -1.26 -5.06 114.28 103.45 1k85 n THR 598 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1k85 n THR 598 Cb 0.00 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N 0.00 2.60 0.43 6.98 0.00 -1.20 -5.09 121.76 125.47 1k85 s ALA 599 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.78 1k85 s ALA 599 Cb 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 1k85 s ALA 599 CO 0.00 0.41 0.95 -0.11 0.00 0.00 0.00 175.76 177.01 1k85 n LEU 600 N 2.89 2.30 0.00 0.00 7.94 -1.26 -0.70 117.00 128.17 1k85 n LEU 600 Ca -0.18 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 1k85 n LEU 600 Cb 0.52 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1k85 n LEU 600 CO 0.28 -1.69 0.00 0.00 -1.11 0.00 0.00 177.39 174.87 1k85 n ALA 601 N -0.59 0.08 -2.46 1.96 0.00 -0.46 -4.65 120.51 114.40 1k85 n ALA 601 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 1k85 n ALA 601 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 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 0.85 4.96 -0.12 0.00 -1.32 -1.22 -4.99 115.64 113.79 1k85 s THR 602 Ca 0.00 -0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.35 1k85 s THR 602 Cb 0.00 -3.85 0.02 0.00 -1.51 0.00 0.00 72.50 67.16 1k85 s THR 602 CO 0.00 -0.69 -0.13 -0.89 -2.21 0.00 0.00 174.62 170.70 1k85 s THR 603 N -2.54 1.42 0.22 5.08 2.01 -1.26 -2.75 115.64 117.82 1k85 s THR 603 Ca 0.44 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1k85 s THR 603 Cb -0.10 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1k85 s THR 603 CO 0.40 0.43 0.05 1.33 -0.69 0.00 0.00 174.62 176.15 1k85 n VAL 604 N 4.53 0.00 -1.10 3.82 0.24 -0.74 -4.99 118.33 120.09 1k85 n VAL 604 Ca -0.17 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1k85 n VAL 604 Cb 0.51 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.50 0.00 0.00 3.34 -2.24 -1.26 -1.38 114.28 112.23 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 0.31 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 2.29 0.64 3.38 0.00 -1.26 -4.64 105.19 105.60 1k85 n GLY 606 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 2.16 -3.65 2.61 -2.24 -1.26 -4.81 114.28 107.09 1k85 n THR 607 Ca 0.00 -3.21 -0.14 0.00 -2.27 0.00 0.00 64.05 58.43 1k85 n THR 607 Cb 0.00 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 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 -3.19 0.00 0.19 4.28 -4.23 -1.26 -3.77 115.64 107.66 1k85 s THR 608 Ca 0.38 -0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1k85 s THR 608 Cb 0.37 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1k85 s THR 608 CO -0.07 -0.01 -0.19 0.00 -0.54 0.00 0.00 174.62 173.81 1k85 s ALA 609 N 0.16 2.18 -0.05 3.99 0.00 -0.49 -4.77 121.76 122.77 1k85 s ALA 609 Ca -0.01 -1.57 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 1k85 s ALA 609 Cb -0.04 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1k85 s ALA 609 CO 0.02 0.26 0.01 0.99 0.00 0.00 0.00 175.76 177.03 1k85 s THR 610 N -2.11 0.23 -0.14 0.00 2.01 -1.26 -1.71 115.64 112.65 1k85 s THR 610 Ca 0.19 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 1k85 s THR 610 Cb -0.06 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1k85 s THR 610 CO 0.08 0.20 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 1k85 s ILE 611 N 1.56 3.11 0.44 1.82 1.09 -1.06 -4.68 121.20 123.48 1k85 s ILE 611 Ca -0.02 -0.63 0.08 0.00 -1.10 0.00 0.00 60.65 58.98 1k85 s ILE 611 Cb -0.13 -2.33 -0.00 0.00 -1.06 0.00 0.00 42.46 38.94 1k85 s ILE 611 CO -0.03 0.51 0.45 -0.44 -0.10 0.00 0.00 174.94 175.33 1k85 s SER 612 N 0.53 5.17 -0.85 3.58 0.01 -1.26 -2.59 113.70 118.28 1k85 s SER 612 Ca -0.08 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 1k85 s SER 612 Cb -0.15 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1k85 s SER 612 CO 0.04 -0.75 0.77 0.61 0.41 0.00 0.00 173.24 174.32 1k85 n GLY 613 N -1.68 -1.13 3.36 3.44 0.00 -1.22 -4.97 105.19 102.99 1k85 n GLY 613 Ca 0.05 0.49 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.61 2.57 -0.15 0.99 1.02 -1.16 -5.05 118.68 112.29 1k85 s LEU 614 Ca 0.23 -0.35 -0.09 0.00 0.02 0.00 0.00 54.13 53.93 1k85 s LEU 614 Cb -0.03 -1.55 -0.05 0.00 0.02 0.00 0.00 46.19 44.59 1k85 s LEU 614 CO 0.71 0.21 0.16 0.00 0.02 0.00 0.00 176.35 177.44 1k85 s ALA 615 N 0.09 3.76 0.97 4.21 0.00 -1.26 -3.95 121.76 125.58 1k85 s ALA 615 Ca -0.07 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 1k85 s ALA 615 Cb -0.15 -2.11 0.17 0.00 0.00 0.00 0.00 23.12 21.03 1k85 s ALA 615 CO 0.05 0.37 1.09 0.00 0.00 0.00 0.00 175.76 177.27 1k85 s ALA 616 N -0.29 1.17 -1.81 0.00 0.00 -1.26 -3.73 121.76 115.84 1k85 s ALA 616 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1k85 s ALA 616 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1k85 s ALA 616 CO 0.02 -2.67 0.00 -3.47 0.00 0.00 0.00 175.76 169.64 1k85 n ASP 617 N -4.07 -5.83 -4.01 0.00 -0.08 0.19 -4.98 116.55 97.77 1k85 n ASP 617 Ca 0.06 0.04 -0.16 0.00 -1.51 0.00 0.00 54.79 53.21 1k85 n ASP 617 Cb 0.57 -4.88 -0.14 0.00 2.34 0.00 0.00 41.12 39.00 1k85 n ASP 617 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1k85 s THR 618 N -3.01 0.56 0.24 5.18 2.01 -1.08 -5.02 115.64 114.53 1k85 s THR 618 Ca 0.00 -0.48 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1k85 s THR 618 Cb 0.00 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.92 1k85 s THR 618 CO 0.00 0.04 0.78 -0.55 -0.69 0.00 0.00 174.62 174.20 1k85 s SER 619 N -0.48 7.18 0.01 3.53 0.15 -1.26 -2.39 113.70 120.43 1k85 s SER 619 Ca 0.00 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.22 1k85 s SER 619 Cb -0.04 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 1k85 s SER 619 CO -0.00 0.04 -0.05 -0.31 1.20 0.00 0.00 173.24 174.12 1k85 s TYR 620 N -1.48 0.42 -0.16 3.44 2.02 -0.50 -4.98 117.35 116.12 1k85 s TYR 620 Ca 0.43 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 1k85 s TYR 620 Cb -0.18 -0.26 0.05 0.00 -0.40 0.00 0.00 41.96 41.16 1k85 s TYR 620 CO 0.23 -0.03 -0.01 0.95 -1.57 0.00 0.00 175.55 175.12 1k85 s THR 621 N -0.40 0.73 0.37 -0.71 -4.23 -1.26 -1.20 115.64 108.93 1k85 s THR 621 Ca -0.01 -0.45 0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1k85 s THR 621 Cb -0.04 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1k85 s THR 621 CO -0.00 0.02 0.25 -0.36 -0.54 0.00 0.00 174.62 173.99 1k85 s PHE 622 N 1.79 2.75 -0.29 3.99 0.08 -0.83 -0.80 117.98 124.68 1k85 s PHE 622 Ca 0.01 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 1k85 s PHE 622 Cb -0.15 -1.86 0.15 0.00 -0.57 0.00 0.00 43.02 40.59 1k85 s PHE 622 CO -0.07 0.16 0.97 0.95 -0.10 0.00 0.00 175.22 177.13 1k85 s THR 623 N -2.42 -0.15 0.06 0.64 -4.23 -1.20 -2.09 115.64 106.25 1k85 s THR 623 Ca 0.42 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1k85 s THR 623 Cb -0.03 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 1k85 s THR 623 CO 0.25 0.00 0.23 -0.69 -0.54 0.00 0.00 174.62 173.87 1k85 s VAL 624 N 1.67 5.36 0.27 2.29 1.01 -1.26 -0.77 120.40 128.97 1k85 s VAL 624 Ca -0.07 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1k85 s VAL 624 Cb -0.04 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1k85 s VAL 624 CO -0.16 0.15 -0.01 -0.54 0.00 0.00 0.00 175.10 174.54 1k85 s LYS 625 N -2.46 1.50 -0.17 2.72 1.02 -0.45 -1.41 119.74 120.48 1k85 s LYS 625 Ca 0.35 -1.78 -0.00 0.00 0.02 0.00 0.00 55.97 54.56 1k85 s LYS 625 Cb -0.13 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1k85 s LYS 625 CO 0.26 -0.07 -0.14 0.00 -0.92 0.00 0.00 175.35 174.49 1k85 s ALA 626 N -3.23 2.53 0.19 5.17 0.00 -1.26 -2.19 121.76 122.97 1k85 s ALA 626 Ca 0.31 -1.09 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1k85 s ALA 626 Cb 0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1k85 s ALA 626 CO 0.12 -0.14 -0.22 -1.59 0.00 0.00 0.00 175.76 173.92 1k85 s LYS 627 N 0.99 1.45 0.45 0.00 -2.85 -1.08 -1.54 119.74 117.16 1k85 s LYS 627 Ca -0.02 -1.49 0.08 0.00 -1.00 0.00 0.00 55.97 53.54 1k85 s LYS 627 Cb -0.15 -1.70 -0.00 0.00 -2.06 0.00 0.00 37.83 33.92 1k85 s LYS 627 CO -0.03 0.36 0.44 0.16 0.10 0.00 0.00 175.35 176.39 1k85 s ASP 628 N -2.66 5.08 -0.06 0.03 -4.77 -0.09 -2.73 116.67 111.46 1k85 s ASP 628 Ca 0.19 -0.77 -0.04 0.00 -3.30 0.00 0.00 52.55 48.62 1k85 s ASP 628 Cb -0.07 -0.39 -0.16 0.00 -1.09 0.00 0.00 42.92 41.20 1k85 s ASP 628 CO 0.09 -0.78 3.16 0.00 0.70 0.00 0.00 175.17 178.34 1k85 n ALA 629 N -1.67 5.88 0.00 2.11 0.00 -1.25 -3.25 120.51 122.33 1k85 n ALA 629 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1k85 n ALA 629 Cb 0.62 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 2.04 0.33 0.00 0.00 0.00 -1.26 -5.04 120.51 116.58 1k85 n ALA 630 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1k85 n ALA 630 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.23 1.49 3.29 0.00 0.00 -1.20 -5.13 105.19 103.41 1k85 n GLY 631 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 4.19 0.09 1.61 0.01 -1.26 -4.95 114.94 113.14 1k85 s ASN 632 Ca 0.00 -0.41 0.10 0.00 -0.71 0.00 0.00 52.86 51.84 1k85 s ASN 632 Cb 0.00 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1k85 s ASN 632 CO 0.00 -0.01 -0.26 0.54 -1.51 0.00 0.00 177.10 175.86 1k85 s VAL 633 N 1.43 2.14 0.00 1.60 0.11 -1.26 -0.92 120.40 123.50 1k85 s VAL 633 Ca 0.05 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1k85 s VAL 633 Cb -0.14 -1.87 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1k85 s VAL 633 CO -0.04 0.18 0.00 -0.24 -3.33 0.00 0.00 175.10 171.67 1k85 n SER 634 N 1.28 0.00 -4.05 3.54 2.88 -0.59 -4.75 113.62 111.93 1k85 n SER 634 Ca -0.18 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.10 1k85 n SER 634 Cb 0.53 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.16 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 n ALA 635 N -3.00 -0.95 -2.32 -1.46 0.00 -1.26 -4.81 120.51 106.71 1k85 n ALA 635 Ca 0.00 -1.76 -0.38 0.00 0.00 0.00 0.00 53.44 51.30 1k85 n ALA 635 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1k85 n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k85 s ALA 636 N -3.71 3.61 1.08 0.00 0.00 -1.26 -4.47 121.76 117.00 1k85 s ALA 636 Ca 0.71 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 1k85 s ALA 636 Cb -0.02 -2.58 0.08 0.00 0.00 0.00 0.00 23.12 20.60 1k85 s ALA 636 CO 0.49 0.42 0.28 -1.13 0.00 0.00 0.00 175.76 175.82 1k85 n SER 637 N 1.68 -1.48 -4.76 0.00 3.41 -0.50 -4.89 113.62 107.09 1k85 n SER 637 Ca -0.11 -0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 57.50 1k85 n SER 637 Cb 0.51 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k85 s ASN 638 N -2.29 5.54 -0.25 4.04 3.84 -1.26 -4.79 114.94 119.76 1k85 s ASN 638 Ca 0.19 2.76 -0.29 0.00 0.21 0.00 0.00 52.86 55.72 1k85 s ASN 638 Cb -0.02 -2.64 0.01 0.00 -0.55 0.00 0.00 41.25 38.05 1k85 s ASN 638 CO 0.15 -1.39 1.04 0.00 -2.79 0.00 0.00 177.10 174.11 1k85 s ALA 639 N -1.30 3.65 -0.24 1.71 0.00 -1.26 -4.62 121.76 119.69 1k85 s ALA 639 Ca 0.68 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.65 1k85 s ALA 639 Cb -0.40 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 1k85 s ALA 639 CO 0.49 -1.14 0.14 0.54 0.00 0.00 0.00 175.76 175.79 1k85 s VAL 640 N 3.29 5.17 -0.41 0.00 0.11 -0.89 -4.99 120.40 122.68 1k85 s VAL 640 Ca 0.44 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1k85 s VAL 640 Cb -0.14 -3.41 0.07 0.00 -1.53 0.00 0.00 36.38 31.36 1k85 s VAL 640 CO 0.08 0.34 0.26 -0.55 -3.33 0.00 0.00 175.10 171.90 1k85 s SER 641 N 1.19 5.70 -0.17 3.54 0.15 -1.26 -1.96 113.70 120.90 1k85 s SER 641 Ca 0.07 -1.37 -0.02 0.00 0.70 0.00 0.00 55.95 55.33 1k85 s SER 641 Cb -0.14 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1k85 s SER 641 CO 0.05 -0.51 -0.10 0.68 1.20 0.00 0.00 173.24 174.56 1k85 s VAL 642 N 1.47 3.16 -0.50 4.45 -7.23 -0.34 -5.00 120.40 116.41 1k85 s VAL 642 Ca 0.03 -0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 1k85 s VAL 642 Cb -0.22 -2.37 0.11 0.00 0.56 0.00 0.00 36.38 34.45 1k85 s VAL 642 CO 0.04 0.49 0.42 -0.75 -0.31 0.00 0.00 175.10 174.98 1k85 s LYS 643 N 0.85 2.85 0.00 4.82 2.20 -1.26 -1.40 119.74 127.80 1k85 s LYS 643 Ca -0.03 -1.61 0.32 0.00 -0.36 0.00 0.00 55.97 54.29 1k85 s LYS 643 Cb -0.15 -4.14 1.87 0.00 -1.51 0.00 0.00 37.83 33.90 1k85 s LYS 643 CO 0.01 -1.20 2.21 0.25 -0.36 0.00 0.00 175.35 176.26