#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 0.14 -1.66 -0.41 2.81 -1.26 -5.04 117.12 111.70 1k85 n MET 558 Ca 0.00 0.06 -0.38 0.00 -1.81 0.00 0.00 57.70 55.56 1k85 n MET 558 Cb 0.00 -0.66 0.05 0.00 -0.71 0.00 0.00 33.22 31.89 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k85 n ALA 559 N -3.48 0.63 -1.00 3.04 0.00 -1.26 -4.98 120.51 113.47 1k85 n ALA 559 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1k85 n ALA 559 Cb 0.14 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.96 -0.39 -3.79 0.00 -0.04 -1.26 -5.03 135.00 123.53 1k85 n PRO 560 Ca 0.13 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.22 1k85 n PRO 560 Cb 0.46 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.87 3.74 0.12 0.52 2.01 -1.26 -4.81 115.64 115.08 1k85 s THR 561 Ca 0.00 -0.89 -0.34 0.00 0.31 0.00 0.00 61.69 60.77 1k85 s THR 561 Cb 0.00 -2.99 -0.14 0.00 0.01 0.00 0.00 72.50 69.39 1k85 s THR 561 CO 0.00 0.01 1.62 0.00 -0.69 0.00 0.00 174.62 175.56 1k85 n ALA 562 N 4.82 1.18 -0.88 7.40 0.00 -1.26 -4.52 120.51 127.25 1k85 n ALA 562 Ca -0.14 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1k85 n ALA 562 Cb 0.47 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.64 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 3.92 -0.19 -3.59 0.00 -0.02 -1.26 -4.96 135.00 128.90 1k85 n PRO 563 Ca 0.18 -0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1k85 n PRO 563 Cb 0.28 -1.48 -0.05 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 -2.22 0.05 -1.35 3.45 -1.32 -1.25 -4.42 115.64 108.58 1k85 s THR 564 Ca 0.49 -0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 60.52 1k85 s THR 564 Cb -0.19 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 69.76 1k85 s THR 564 CO 0.74 -0.21 1.07 -3.20 -2.21 0.00 0.00 174.62 170.81 1k85 n ASN 565 N 0.03 -4.72 -4.67 8.08 5.15 -1.26 -2.76 115.26 115.11 1k85 n ASN 565 Ca -0.17 -0.62 -0.31 0.00 -0.60 0.00 0.00 54.58 52.88 1k85 n ASN 565 Cb 0.62 -4.80 0.16 0.00 -0.53 0.00 0.00 39.78 35.24 1k85 n ASN 565 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1k85 s LEU 566 N -7.04 2.74 0.30 1.20 2.96 -1.26 -4.44 118.68 113.14 1k85 s LEU 566 Ca 0.42 2.11 -0.20 0.00 -0.22 0.00 0.00 54.13 56.24 1k85 s LEU 566 Cb -0.19 -4.49 0.04 0.00 0.50 0.00 0.00 46.19 42.05 1k85 s LEU 566 CO 0.75 -3.07 0.79 0.00 -1.32 0.00 0.00 176.35 173.50 1k85 s ALA 567 N -2.67 -1.12 -0.04 5.97 0.00 0.10 -4.97 121.76 119.04 1k85 s ALA 567 Ca 0.66 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1k85 s ALA 567 Cb -0.22 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1k85 s ALA 567 CO 0.58 -1.02 -0.17 -1.54 0.00 0.00 0.00 175.76 173.61 1k85 s SER 568 N -3.01 2.13 0.00 0.00 1.04 -1.26 -1.59 113.70 111.01 1k85 s SER 568 Ca 0.13 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1k85 s SER 568 Cb -0.05 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1k85 s SER 568 CO 0.08 0.17 0.00 0.35 0.98 0.00 0.00 173.24 174.82 1k85 n THR 569 N 3.04 0.00 -2.90 2.02 -2.24 -0.66 -4.96 114.28 108.58 1k85 n THR 569 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1k85 n THR 569 Cb 0.53 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.08 3.19 -0.33 6.98 0.00 -1.26 -4.92 121.76 122.34 1k85 s ALA 570 Ca 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.94 1k85 s ALA 570 Cb 0.00 -3.85 0.08 0.00 0.00 0.00 0.00 23.12 19.36 1k85 s ALA 570 CO 0.00 -2.75 0.05 -0.65 0.00 0.00 0.00 175.76 172.40 1k85 s GLN 571 N 3.68 1.96 0.00 0.00 1.11 -1.26 -0.33 119.66 124.83 1k85 s GLN 571 Ca 0.22 -1.63 0.00 0.00 0.01 0.00 0.00 55.36 53.96 1k85 s GLN 571 Cb -0.16 -3.24 0.00 0.00 -1.01 0.00 0.00 33.01 28.60 1k85 s GLN 571 CO 0.07 -0.83 0.01 0.25 0.01 0.00 0.00 175.29 174.79 1k85 n THR 572 N 4.45 0.00 -1.07 -0.19 -2.24 -0.59 -5.00 114.28 109.65 1k85 n THR 572 Ca -0.05 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1k85 n THR 572 Cb 0.42 -0.80 0.03 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.82 3.02 0.00 4.28 -2.24 -1.26 -4.18 114.28 113.08 1k85 n THR 573 Ca 0.00 -2.10 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1k85 n THR 573 Cb 0.01 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 0.17 0.00 -3.95 3.42 3.41 -1.25 -4.53 113.62 110.89 1k85 n SER 574 Ca 0.39 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.83 1k85 n SER 574 Cb 0.58 0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.26 0.74 0.01 4.04 0.01 -1.25 -2.38 113.70 113.60 1k85 s SER 575 Ca 0.00 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.23 1k85 s SER 575 Cb 0.00 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1k85 s SER 575 CO 0.00 0.04 -0.23 -0.51 0.41 0.00 0.00 173.24 172.95 1k85 s ILE 576 N 0.12 2.33 -0.21 1.44 2.07 -1.08 -1.54 121.20 124.33 1k85 s ILE 576 Ca -0.01 -1.18 -0.04 0.00 -1.41 0.00 0.00 60.65 58.01 1k85 s ILE 576 Cb -0.05 -1.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.64 1k85 s ILE 576 CO -0.00 0.46 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.57 1k85 s THR 577 N -0.75 3.56 -0.09 4.00 2.01 0.55 -2.63 115.64 122.29 1k85 s THR 577 Ca 0.12 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1k85 s THR 577 Cb -0.10 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1k85 s THR 577 CO 0.01 0.42 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.06 1k85 s LEU 578 N 1.32 3.04 -0.03 4.42 2.96 -0.35 -1.65 118.68 128.38 1k85 s LEU 578 Ca 0.04 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1k85 s LEU 578 Cb -0.14 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1k85 s LEU 578 CO -0.01 0.28 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.65 1k85 s SER 579 N -0.34 1.41 0.22 3.68 0.15 -0.62 -1.62 113.70 116.57 1k85 s SER 579 Ca 0.05 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1k85 s SER 579 Cb -0.12 -0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1k85 s SER 579 CO 0.02 0.08 0.24 -1.66 1.20 0.00 0.00 173.24 173.12 1k85 s TRP 580 N 0.20 0.92 -0.31 3.44 -2.14 -1.13 -0.72 118.94 119.19 1k85 s TRP 580 Ca -0.04 -1.18 -0.29 0.00 2.66 0.00 0.00 56.10 57.25 1k85 s TRP 580 Cb -0.09 -0.33 0.01 0.00 -3.10 0.00 0.00 33.47 29.96 1k85 s TRP 580 CO 0.01 -0.76 1.10 0.99 -2.66 0.00 0.00 176.95 175.63 1k85 s THR 581 N -4.10 4.48 1.20 0.66 2.01 -1.11 -4.90 115.64 113.88 1k85 s THR 581 Ca 0.34 1.71 -0.13 0.00 0.31 0.00 0.00 61.69 63.92 1k85 s THR 581 Cb 0.05 -4.37 0.30 0.00 0.01 0.00 0.00 72.50 68.49 1k85 s THR 581 CO 0.11 -0.45 1.02 0.00 -0.69 0.00 0.00 174.62 174.61 1k85 s ALA 582 N 3.68 -0.71 0.07 7.40 0.00 -1.26 -3.88 121.76 127.06 1k85 s ALA 582 Ca 0.47 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 1k85 s ALA 582 Cb -0.13 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1k85 s ALA 582 CO 0.15 -4.01 0.61 -1.54 0.00 0.00 0.00 175.76 170.98 1k85 s SER 583 N -2.47 7.10 0.23 0.00 1.04 -1.26 -4.92 113.70 113.42 1k85 s SER 583 Ca 0.69 1.30 0.22 0.00 0.48 0.00 0.00 55.95 58.64 1k85 s SER 583 Cb -0.25 -2.38 0.93 0.00 0.10 0.00 0.00 66.02 64.41 1k85 s SER 583 CO 0.65 0.23 1.66 0.41 0.98 0.00 0.00 173.24 177.17 1k85 n THR 584 N 1.92 0.90 -2.74 2.02 -1.04 -1.26 -3.32 114.28 110.76 1k85 n THR 584 Ca -0.09 0.30 -0.34 0.00 -2.04 0.00 0.00 64.05 61.88 1k85 n THR 584 Cb 0.50 -1.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.79 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 -2.13 5.95 0.00 8.00 8.00 -1.26 -4.76 116.55 130.34 1k85 n ASP 585 Ca 0.02 -3.70 0.07 0.00 0.71 0.00 0.00 54.79 51.89 1k85 n ASP 585 Cb 0.19 -0.86 0.42 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.18 0.00 0.26 -2.24 6.94 -1.21 -3.40 115.26 115.43 1k85 n ASN 586 Ca 0.40 -1.39 0.17 0.00 -0.02 0.00 0.00 54.58 53.74 1k85 n ASN 586 Cb 0.33 0.00 0.77 0.00 -2.36 0.00 0.00 39.78 38.52 1k85 n ASN 586 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 1k85 h VAL 587 N 0.00 0.00 0.00 3.53 3.04 -1.92 -3.22 116.25 117.69 1k85 h VAL 587 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1k85 h VAL 587 Cb 0.00 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1k85 h VAL 587 CO 0.00 0.00 -0.96 0.61 -1.01 0.00 0.00 177.57 176.21 1k85 n GLY 588 N -0.27 0.00 3.73 3.17 0.00 -1.22 -5.03 105.19 105.58 1k85 n GLY 588 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 3.23 0.00 1.61 1.01 -1.22 -3.53 120.40 119.56 1k85 s VAL 589 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1k85 s VAL 589 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1k85 s VAL 589 CO 0.00 0.14 0.52 1.07 0.00 0.00 0.00 175.10 176.83 1k85 n THR 590 N 2.79 0.05 0.00 3.92 5.66 -1.11 -4.90 114.28 120.69 1k85 n THR 590 Ca 0.07 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1k85 n THR 590 Cb 0.43 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.03 1.62 3.31 1.09 0.00 -1.22 -4.83 105.19 105.13 1k85 n GLY 591 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1k85 n GLY 591 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k85 s TYR 592 N -2.00 2.10 -0.13 1.61 1.51 -0.02 -2.36 117.35 118.06 1k85 s TYR 592 Ca 0.00 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1k85 s TYR 592 Cb 0.00 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 1k85 s TYR 592 CO 0.00 0.14 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.89 1k85 s ASP 593 N -1.35 2.74 -0.17 2.29 1.01 -0.22 -1.41 116.67 119.55 1k85 s ASP 593 Ca 0.10 -0.51 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 1k85 s ASP 593 Cb -0.10 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.54 1k85 s ASP 593 CO 0.03 0.03 0.11 0.54 0.21 0.00 0.00 175.17 176.09 1k85 s VAL 594 N 0.98 5.24 0.05 -1.27 0.11 -1.12 -0.43 120.40 123.96 1k85 s VAL 594 Ca -0.05 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1k85 s VAL 594 Cb -0.15 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1k85 s VAL 594 CO -0.03 0.49 0.22 -0.31 -3.33 0.00 0.00 175.10 172.14 1k85 s TYR 595 N 0.00 3.52 -0.31 1.54 1.51 0.83 -1.61 117.35 122.84 1k85 s TYR 595 Ca 0.09 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1k85 s TYR 595 Cb -0.12 -1.79 0.10 0.00 -0.11 0.00 0.00 41.96 40.05 1k85 s TYR 595 CO -0.00 0.59 0.09 1.21 -1.11 0.00 0.00 175.55 176.33 1k85 s ASN 596 N -2.40 4.04 -0.77 2.29 2.47 0.25 -1.94 114.94 118.88 1k85 s ASN 596 Ca 0.34 -1.64 -0.01 0.00 0.42 0.00 0.00 52.86 51.98 1k85 s ASN 596 Cb -0.13 -0.90 -0.00 0.00 -1.45 0.00 0.00 41.25 38.77 1k85 s ASN 596 CO 0.26 -0.41 0.69 0.61 -3.72 0.00 0.00 177.10 174.53 1k85 n GLY 597 N 4.82 -1.25 2.42 1.21 0.00 -1.07 -2.23 105.19 109.09 1k85 n GLY 597 Ca -0.02 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.03 -0.40 -3.26 2.61 -2.24 -1.26 -4.88 114.28 102.82 1k85 n THR 598 Ca -0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1k85 n THR 598 Cb 0.54 -1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.41 -1.60 0.27 6.98 0.00 -0.95 -5.14 121.76 118.91 1k85 s ALA 599 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1k85 s ALA 599 Cb 0.00 -2.10 -0.15 0.00 0.00 0.00 0.00 23.12 20.87 1k85 s ALA 599 CO 0.00 -1.60 0.96 -0.11 0.00 0.00 0.00 175.76 175.01 1k85 n LEU 600 N 5.38 1.36 0.00 0.00 7.94 -1.26 -0.58 117.00 129.84 1k85 n LEU 600 Ca 0.00 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1k85 n LEU 600 Cb 0.51 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1k85 n LEU 600 CO -0.00 -1.60 0.00 0.00 -1.11 0.00 0.00 177.39 174.68 1k85 n ALA 601 N 0.32 0.20 -2.32 1.96 0.00 -0.63 -4.69 120.51 115.35 1k85 n ALA 601 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 1k85 n ALA 601 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.76 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 0.46 4.25 -0.31 0.00 -1.32 -1.25 -5.00 115.64 112.46 1k85 s THR 602 Ca 0.00 -0.28 -0.01 0.00 -1.21 0.00 0.00 61.69 60.19 1k85 s THR 602 Cb 0.00 -3.59 0.10 0.00 -1.51 0.00 0.00 72.50 67.50 1k85 s THR 602 CO 0.00 -0.48 0.11 -0.89 -2.21 0.00 0.00 174.62 171.15 1k85 s THR 603 N -2.64 0.79 0.00 5.08 2.01 -1.26 -2.81 115.64 116.82 1k85 s THR 603 Ca 0.48 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1k85 s THR 603 Cb -0.10 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1k85 s THR 603 CO 0.40 -0.69 0.00 1.33 -0.69 0.00 0.00 174.62 174.97 1k85 n VAL 604 N 4.84 0.00 0.00 3.82 0.24 -0.50 -4.97 118.33 121.75 1k85 n VAL 604 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1k85 n VAL 604 Cb 0.42 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 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 -0.66 0.00 0.00 3.34 -2.24 -1.26 -0.84 114.28 112.62 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 0.13 0.81 0.00 3.38 0.00 -1.26 -4.30 105.19 103.95 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 0.66 -4.23 2.61 -2.24 -1.26 -4.80 114.28 105.02 1k85 n THR 607 Ca 0.00 -0.67 -0.15 0.00 -2.27 0.00 0.00 64.05 60.95 1k85 n THR 607 Cb 0.00 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.66 1.18 -0.04 4.28 -4.23 -1.26 -2.86 115.64 112.05 1k85 s THR 608 Ca 0.00 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1k85 s THR 608 Cb 0.00 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.19 1k85 s THR 608 CO 0.00 -0.62 0.15 0.00 -0.54 0.00 0.00 174.62 173.61 1k85 s ALA 609 N -2.82 -0.37 -0.07 3.99 0.00 -0.64 -4.67 121.76 117.17 1k85 s ALA 609 Ca 0.12 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 609 Cb -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1k85 s ALA 609 CO 0.01 -0.11 -0.17 0.99 0.00 0.00 0.00 175.76 176.48 1k85 s THR 610 N -0.32 1.51 -0.12 0.00 2.01 -1.26 -1.21 115.64 116.25 1k85 s THR 610 Ca -0.04 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1k85 s THR 610 Cb -0.03 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1k85 s THR 610 CO 0.01 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 1k85 s ILE 611 N 0.42 2.76 0.49 1.82 1.09 -1.08 -4.64 121.20 122.06 1k85 s ILE 611 Ca -0.14 -0.77 0.07 0.00 -1.10 0.00 0.00 60.65 58.72 1k85 s ILE 611 Cb -0.16 -2.13 0.08 0.00 -1.06 0.00 0.00 42.46 39.20 1k85 s ILE 611 CO 0.05 0.54 0.68 -1.54 -0.10 0.00 0.00 174.94 174.57 1k85 n SER 612 N 3.47 1.71 -3.67 3.58 3.41 -1.26 -2.62 113.62 118.24 1k85 n SER 612 Ca -0.18 -2.26 -0.23 0.00 -0.26 0.00 0.00 58.87 55.94 1k85 n SER 612 Cb 0.53 -0.37 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1k85 n SER 612 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k85 n GLY 613 N -0.94 -0.41 3.90 5.00 0.00 -1.20 -4.94 105.19 106.60 1k85 n GLY 613 Ca 0.14 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1k85 n GLY 613 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k85 s LEU 614 N -6.87 4.33 0.35 0.99 2.96 -1.00 -5.04 118.68 114.40 1k85 s LEU 614 Ca 0.27 0.48 0.09 0.00 -0.22 0.00 0.00 54.13 54.75 1k85 s LEU 614 Cb -0.13 -2.97 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 1k85 s LEU 614 CO 0.78 0.16 -0.02 0.00 -1.32 0.00 0.00 176.35 175.95 1k85 s ALA 615 N -1.48 3.13 0.69 5.97 0.00 -1.26 -3.85 121.76 124.95 1k85 s ALA 615 Ca 0.34 -2.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 1k85 s ALA 615 Cb -0.13 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.88 1k85 s ALA 615 CO 0.23 0.05 0.96 0.00 0.00 0.00 0.00 175.76 176.99 1k85 s ALA 616 N -2.57 3.54 -1.68 0.00 0.00 -1.26 -4.42 121.76 115.37 1k85 s ALA 616 Ca 0.34 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1k85 s ALA 616 Cb 0.02 -2.20 0.12 0.00 0.00 0.00 0.00 23.12 21.06 1k85 s ALA 616 CO 0.18 -1.30 0.48 -0.40 0.00 0.00 0.00 175.76 174.73 1k85 n ASP 617 N -2.78 -1.36 -3.99 0.00 5.75 -0.05 -4.94 116.55 109.18 1k85 n ASP 617 Ca 0.12 -1.15 -0.09 0.00 -0.01 0.00 0.00 54.79 53.66 1k85 n ASP 617 Cb 0.60 -2.17 -0.11 0.00 -1.03 0.00 0.00 41.12 38.41 1k85 n ASP 617 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1k85 s THR 618 N -3.65 0.13 -0.14 2.12 -4.23 -1.18 -4.98 115.64 103.72 1k85 s THR 618 Ca 0.48 -1.04 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1k85 s THR 618 Cb -0.27 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 1k85 s THR 618 CO 0.97 -0.57 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.90 1k85 s SER 619 N -1.68 4.88 -0.03 3.99 0.15 -1.26 -1.46 113.70 118.28 1k85 s SER 619 Ca -0.12 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.50 1k85 s SER 619 Cb -0.07 -1.68 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 1k85 s SER 619 CO -0.02 0.22 -0.17 -0.31 1.20 0.00 0.00 173.24 174.16 1k85 s TYR 620 N 0.05 1.61 -0.28 3.44 2.02 -1.00 -4.96 117.35 118.23 1k85 s TYR 620 Ca 0.01 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.23 1k85 s TYR 620 Cb -0.13 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 1k85 s TYR 620 CO 0.03 -0.12 0.06 0.95 -1.57 0.00 0.00 175.55 174.90 1k85 s THR 621 N -0.10 3.96 0.32 -0.71 -4.23 -1.26 -2.06 115.64 111.56 1k85 s THR 621 Ca -0.00 -0.59 0.09 0.00 -1.18 0.00 0.00 61.69 60.01 1k85 s THR 621 Cb -0.10 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 1k85 s THR 621 CO 0.01 0.16 0.04 -0.36 -0.54 0.00 0.00 174.62 173.93 1k85 s PHE 622 N 1.52 2.63 -0.08 3.99 0.08 -1.05 -2.61 117.98 122.45 1k85 s PHE 622 Ca 0.04 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 1k85 s PHE 622 Cb -0.16 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1k85 s PHE 622 CO 0.02 0.47 0.54 0.95 -0.10 0.00 0.00 175.22 177.10 1k85 s THR 623 N -2.44 0.02 0.14 0.64 -4.23 -0.82 -1.47 115.64 107.48 1k85 s THR 623 Ca 0.35 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1k85 s THR 623 Cb -0.03 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 1k85 s THR 623 CO 0.20 -0.08 0.00 0.68 -0.54 0.00 0.00 174.62 174.89 1k85 s VAL 624 N -0.81 3.85 0.02 2.29 -7.23 -1.26 -0.12 120.40 117.13 1k85 s VAL 624 Ca -0.09 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1k85 s VAL 624 Cb -0.03 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 1k85 s VAL 624 CO 0.06 -0.01 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.23 1k85 s LYS 625 N -2.67 0.50 -0.28 4.82 -0.14 0.43 -0.96 119.74 121.44 1k85 s LYS 625 Ca 0.27 -0.52 -0.05 0.00 -1.36 0.00 0.00 55.97 54.30 1k85 s LYS 625 Cb -0.10 -0.36 0.01 0.00 -1.68 0.00 0.00 37.83 35.69 1k85 s LYS 625 CO 0.18 0.08 0.04 0.00 -0.76 0.00 0.00 175.35 174.89 1k85 s ALA 626 N -0.84 2.97 0.15 5.17 0.00 -1.26 -1.06 121.76 126.90 1k85 s ALA 626 Ca -0.05 -1.41 0.10 0.00 0.00 0.00 0.00 51.96 50.61 1k85 s ALA 626 Cb -0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1k85 s ALA 626 CO 0.00 -0.83 -0.20 -1.59 0.00 0.00 0.00 175.76 173.14 1k85 s LYS 627 N 1.47 1.66 0.00 0.00 -2.85 -0.99 -1.16 119.74 117.86 1k85 s LYS 627 Ca 0.03 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1k85 s LYS 627 Cb -0.17 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1k85 s LYS 627 CO 0.01 0.44 0.00 -0.40 0.10 0.00 0.00 175.35 175.50 1k85 n ASP 628 N 0.52 0.00 0.00 0.03 5.75 -1.08 -2.74 116.55 119.03 1k85 n ASP 628 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1k85 n ASP 628 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1k85 n ASP 628 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k85 n ALA 629 N -3.00 -0.09 -2.69 2.12 0.00 -1.23 -4.54 120.51 111.07 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 19.70 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 -1.27 1.30 0.08 0.00 0.00 -1.26 -5.03 120.51 114.32 1k85 n ALA 630 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.24 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 -0.73 -0.90 3.84 0.00 0.00 -1.26 -5.13 105.19 101.02 1k85 n GLY 631 Ca -0.06 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.17 6.84 -0.01 1.61 -0.87 -1.26 -5.03 114.94 113.04 1k85 s ASN 632 Ca 0.00 1.10 0.01 0.00 -1.57 0.00 0.00 52.86 52.40 1k85 s ASN 632 Cb 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 41.25 38.94 1k85 s ASN 632 CO 0.00 0.09 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.91 1k85 s VAL 633 N -1.49 0.19 0.70 1.60 1.01 -1.26 -2.64 120.40 118.51 1k85 s VAL 633 Ca 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1k85 s VAL 633 Cb -0.15 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.11 1k85 s VAL 633 CO 0.19 0.09 0.98 -0.44 0.00 0.00 0.00 175.10 175.93 1k85 s SER 634 N 0.39 4.55 0.79 3.32 0.01 -0.31 -4.83 113.70 117.62 1k85 s SER 634 Ca -0.04 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 1k85 s SER 634 Cb -0.06 -0.54 0.10 0.00 0.21 0.00 0.00 66.02 65.72 1k85 s SER 634 CO -0.01 -1.72 1.14 0.00 0.41 0.00 0.00 173.24 173.06 1k85 s ALA 635 N -3.16 2.80 0.28 1.44 0.00 -1.26 -4.65 121.76 117.21 1k85 s ALA 635 Ca 0.63 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 1k85 s ALA 635 Cb -0.08 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 1k85 s ALA 635 CO 0.44 -1.66 0.90 0.00 0.00 0.00 0.00 175.76 175.43 1k85 s ALA 636 N -3.50 3.28 1.02 0.00 0.00 -1.26 -4.41 121.76 116.88 1k85 s ALA 636 Ca 0.63 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 1k85 s ALA 636 Cb -0.09 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.02 1k85 s ALA 636 CO 0.48 0.21 0.59 0.45 0.00 0.00 0.00 175.76 177.49 1k85 n SER 637 N 0.81 -0.20 -4.78 0.00 2.88 -0.13 -4.95 113.62 107.26 1k85 n SER 637 Ca 0.00 -1.15 -0.34 0.00 -1.33 0.00 0.00 58.87 56.05 1k85 n SER 637 Cb 0.50 -0.46 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1k85 s ASN 638 N -3.15 5.58 0.41 -3.46 2.47 -1.26 -4.68 114.94 110.84 1k85 s ASN 638 Ca 0.34 2.07 -0.21 0.00 0.42 0.00 0.00 52.86 55.48 1k85 s ASN 638 Cb -0.01 -2.57 -0.11 0.00 -1.45 0.00 0.00 41.25 37.12 1k85 s ASN 638 CO 0.24 -1.31 0.92 0.00 -3.72 0.00 0.00 177.10 173.23 1k85 s ALA 639 N -2.03 3.09 -0.21 1.71 0.00 -1.26 -4.52 121.76 118.55 1k85 s ALA 639 Ca 0.70 0.37 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1k85 s ALA 639 Cb -0.21 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1k85 s ALA 639 CO 0.32 0.16 -0.04 0.14 0.00 0.00 0.00 175.76 176.34 1k85 s VAL 640 N -2.10 1.24 -0.40 0.00 -7.23 -0.54 -4.92 120.40 106.46 1k85 s VAL 640 Ca 0.60 -0.97 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1k85 s VAL 640 Cb -0.10 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1k85 s VAL 640 CO 0.15 -0.08 0.72 -0.55 -0.31 0.00 0.00 175.10 175.03 1k85 s SER 641 N 1.54 6.44 -0.05 4.85 0.15 -1.26 -2.52 113.70 122.85 1k85 s SER 641 Ca -0.04 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1k85 s SER 641 Cb -0.18 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1k85 s SER 641 CO -0.07 -0.75 -0.10 0.68 1.20 0.00 0.00 173.24 174.19 1k85 s VAL 642 N 3.01 3.39 -0.48 4.45 -7.23 -0.88 -4.95 120.40 117.71 1k85 s VAL 642 Ca 0.28 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.71 1k85 s VAL 642 Cb -0.13 -2.37 0.11 0.00 0.56 0.00 0.00 36.38 34.55 1k85 s VAL 642 CO 0.18 0.57 0.37 -0.75 -0.31 0.00 0.00 175.10 175.16 1k85 s LYS 643 N -0.85 2.60 0.00 4.82 2.20 -1.26 -2.38 119.74 124.87 1k85 s LYS 643 Ca 0.12 -1.70 0.31 0.00 -0.36 0.00 0.00 55.97 54.34 1k85 s LYS 643 Cb -0.11 -3.98 1.88 0.00 -1.51 0.00 0.00 37.83 34.11 1k85 s LYS 643 CO 0.02 -1.18 2.20 0.25 -0.36 0.00 0.00 175.35 176.27