#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 3.59 -1.17 -1.40 -0.00 -1.26 -5.09 117.12 111.79 1k85 n MET 558 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.70 57.35 1k85 n MET 558 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 33.22 33.32 1k85 n MET 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k85 n ALA 559 N -3.00 -0.89 -0.82 3.17 0.00 -1.26 -4.98 120.51 112.72 1k85 n ALA 559 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 1k85 n ALA 559 Cb 0.00 -2.03 0.24 0.00 0.00 0.00 0.00 19.45 17.66 1k85 n ALA 559 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k85 s PRO 560 N -3.45 -1.15 -0.10 0.00 0.04 -1.26 -4.91 135.00 124.18 1k85 s PRO 560 Ca 0.69 0.33 -0.25 0.00 0.04 0.00 0.00 61.00 61.81 1k85 s PRO 560 Cb -0.31 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1k85 s PRO 560 CO 0.55 -3.75 0.78 0.95 0.04 0.00 0.00 177.00 175.58 1k85 s THR 561 N -2.71 4.96 0.12 1.26 -4.23 -1.26 -4.24 115.64 109.54 1k85 s THR 561 Ca 0.68 1.59 -0.31 0.00 -1.18 0.00 0.00 61.69 62.47 1k85 s THR 561 Cb -0.17 -4.11 -0.09 0.00 1.34 0.00 0.00 72.50 69.47 1k85 s THR 561 CO 0.59 0.15 1.64 0.00 -0.54 0.00 0.00 174.62 176.47 1k85 s ALA 562 N 1.36 3.74 0.13 3.99 0.00 -1.26 -4.63 121.76 125.10 1k85 s ALA 562 Ca 0.39 1.32 -0.34 0.00 0.00 0.00 0.00 51.96 53.33 1k85 s ALA 562 Cb -0.18 -3.67 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 1k85 s ALA 562 CO 0.17 -0.98 1.11 -2.30 0.00 0.00 0.00 175.76 173.76 1k85 n PRO 563 N 4.88 0.86 -4.35 0.00 -0.02 -1.26 -4.92 135.00 130.19 1k85 n PRO 563 Ca 0.15 0.31 -0.27 0.00 -2.02 0.00 0.00 63.50 61.66 1k85 n PRO 563 Cb 0.39 -1.78 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.14 2.76 -0.51 3.45 -4.23 -1.25 -4.22 115.64 111.50 1k85 s THR 564 Ca 0.77 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 59.37 1k85 s THR 564 Cb -0.94 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 70.58 1k85 s THR 564 CO 0.53 -0.07 0.63 0.59 -0.54 0.00 0.00 174.62 175.76 1k85 n ASN 565 N 0.29 -7.79 -4.90 3.99 4.13 -1.26 -2.85 115.26 106.88 1k85 n ASN 565 Ca -0.13 0.34 -0.29 0.00 1.68 0.00 0.00 54.58 56.19 1k85 n ASN 565 Cb 0.55 -5.19 0.02 0.00 -1.54 0.00 0.00 39.78 33.62 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 -2.99 3.26 0.24 3.41 2.96 -1.26 -3.79 118.68 120.52 1k85 s LEU 566 Ca 0.19 1.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 1k85 s LEU 566 Cb -0.05 -3.93 0.03 0.00 0.50 0.00 0.00 46.19 42.74 1k85 s LEU 566 CO 0.77 -0.96 0.66 0.00 -1.32 0.00 0.00 176.35 175.51 1k85 s ALA 567 N -3.05 -1.23 -0.03 5.97 0.00 0.53 -4.97 121.76 118.98 1k85 s ALA 567 Ca 0.53 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1k85 s ALA 567 Cb -0.11 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1k85 s ALA 567 CO 0.49 -0.95 -0.14 -1.54 0.00 0.00 0.00 175.76 173.62 1k85 s SER 568 N -2.88 1.74 0.00 0.00 1.04 -1.26 -1.49 113.70 110.84 1k85 s SER 568 Ca 0.09 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1k85 s SER 568 Cb -0.04 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1k85 s SER 568 CO 0.02 0.13 0.00 0.35 0.98 0.00 0.00 173.24 174.72 1k85 n THR 569 N 3.12 0.00 -3.02 2.02 -2.24 -0.82 -4.97 114.28 108.38 1k85 n THR 569 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1k85 n THR 569 Cb 0.54 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.87 3.30 -0.36 6.98 0.00 -1.26 -4.93 121.76 122.62 1k85 s ALA 570 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1k85 s ALA 570 Cb 0.00 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.78 1k85 s ALA 570 CO 0.00 -1.97 0.08 -0.65 0.00 0.00 0.00 175.76 173.21 1k85 s GLN 571 N 3.16 1.54 0.00 0.00 1.11 -1.26 -0.04 119.66 124.17 1k85 s GLN 571 Ca 0.26 -1.96 0.00 0.00 0.01 0.00 0.00 55.36 53.66 1k85 s GLN 571 Cb -0.14 -3.23 0.00 0.00 -1.01 0.00 0.00 33.01 28.64 1k85 s GLN 571 CO 0.19 -0.96 0.00 0.25 0.01 0.00 0.00 175.29 174.78 1k85 n THR 572 N 4.13 0.00 0.85 -0.19 -2.24 -0.10 -4.92 114.28 111.81 1k85 n THR 572 Ca 0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1k85 n THR 572 Cb 0.41 -0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.00 0.00 4.28 -2.24 -1.26 -4.61 114.28 110.45 1k85 n THR 573 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1k85 n THR 573 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.52 3.30 -4.40 3.42 3.41 -1.26 -3.12 113.62 113.45 1k85 n SER 574 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 1k85 n SER 574 Cb 0.32 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.93 3.04 0.02 4.04 0.01 -1.26 -1.76 113.70 114.87 1k85 s SER 575 Ca 0.00 -1.01 -0.03 0.00 1.31 0.00 0.00 55.95 56.22 1k85 s SER 575 Cb 0.00 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1k85 s SER 575 CO 0.00 -0.06 0.04 -0.51 0.41 0.00 0.00 173.24 173.12 1k85 s ILE 576 N -2.66 0.11 -0.12 1.44 2.07 -1.04 -0.92 121.20 120.08 1k85 s ILE 576 Ca 0.25 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 1k85 s ILE 576 Cb -0.03 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1k85 s ILE 576 CO 0.10 -0.51 -0.21 -0.89 -1.91 0.00 0.00 174.94 171.52 1k85 s THR 577 N -1.78 2.26 -0.03 4.00 2.01 0.94 -2.61 115.64 120.42 1k85 s THR 577 Ca -0.12 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.01 1k85 s THR 577 Cb -0.07 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1k85 s THR 577 CO -0.01 0.55 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.00 1k85 s LEU 578 N 0.57 2.04 0.05 4.42 2.96 -0.73 -1.94 118.68 126.06 1k85 s LEU 578 Ca -0.12 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1k85 s LEU 578 Cb -0.17 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1k85 s LEU 578 CO 0.04 0.26 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.62 1k85 s SER 579 N -0.36 1.91 0.27 3.68 0.15 -0.56 -1.58 113.70 117.21 1k85 s SER 579 Ca 0.03 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.98 1k85 s SER 579 Cb -0.11 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1k85 s SER 579 CO 0.01 0.04 0.66 -1.66 1.20 0.00 0.00 173.24 173.49 1k85 s TRP 580 N -0.95 -0.04 -0.10 3.44 -2.14 -1.20 -0.35 118.94 117.61 1k85 s TRP 580 Ca 0.03 -0.40 -0.30 0.00 2.66 0.00 0.00 56.10 58.09 1k85 s TRP 580 Cb -0.09 0.57 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 1k85 s TRP 580 CO 0.02 -1.18 1.02 0.99 -2.66 0.00 0.00 176.95 175.14 1k85 s THR 581 N -3.93 4.75 0.69 0.66 2.01 -1.13 -4.91 115.64 113.78 1k85 s THR 581 Ca 0.14 2.02 -0.16 0.00 0.31 0.00 0.00 61.69 64.00 1k85 s THR 581 Cb -0.05 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1k85 s THR 581 CO 0.08 0.01 1.21 0.00 -0.69 0.00 0.00 174.62 175.22 1k85 s ALA 582 N 2.00 2.24 0.99 7.40 0.00 -1.26 -3.91 121.76 129.22 1k85 s ALA 582 Ca 0.49 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1k85 s ALA 582 Cb -0.19 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 19.65 1k85 s ALA 582 CO 0.18 -1.68 1.10 -1.54 0.00 0.00 0.00 175.76 173.82 1k85 s SER 583 N -1.95 2.73 0.10 0.00 1.04 -1.26 -4.91 113.70 109.44 1k85 s SER 583 Ca 0.75 1.14 0.22 0.00 0.48 0.00 0.00 55.95 58.54 1k85 s SER 583 Cb -0.29 -1.79 -0.12 0.00 0.10 0.00 0.00 66.02 63.92 1k85 s SER 583 CO 0.42 -3.06 0.84 0.41 0.98 0.00 0.00 173.24 172.83 1k85 n THR 584 N -4.12 0.33 -0.69 2.02 -1.04 -1.26 -4.19 114.28 105.33 1k85 n THR 584 Ca 0.05 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.05 61.43 1k85 n THR 584 Cb 0.58 -0.13 0.05 0.00 -1.82 0.00 0.00 70.33 69.00 1k85 n THR 584 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k85 n ASP 585 N -2.42 5.75 0.11 8.00 -0.08 -1.26 -4.51 116.55 122.14 1k85 n ASP 585 Ca -0.01 -2.97 0.07 0.00 -1.51 0.00 0.00 54.79 50.37 1k85 n ASP 585 Cb 0.54 -0.97 0.38 0.00 2.34 0.00 0.00 41.12 43.40 1k85 n ASP 585 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1k85 n ASN 586 N 0.27 0.36 0.00 1.67 2.85 -1.26 -1.15 115.26 118.00 1k85 n ASN 586 Ca 0.28 0.64 0.07 0.00 -0.11 0.00 0.00 54.58 55.47 1k85 n ASN 586 Cb 0.67 -0.68 0.44 0.00 1.24 0.00 0.00 39.78 41.46 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 -1.98 0.00 0.00 3.44 0.31 -1.26 -3.58 118.33 115.26 1k85 n VAL 587 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1k85 n VAL 587 Cb 0.07 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.35 0.00 3.76 2.92 0.00 -0.30 -5.05 105.19 106.87 1k85 n GLY 588 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.47 2.14 0.00 1.61 1.01 -1.00 -1.17 120.40 122.51 1k85 s VAL 589 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1k85 s VAL 589 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1k85 s VAL 589 CO 0.00 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.46 1k85 n THR 590 N -0.67 0.00 0.00 3.92 -2.24 -0.46 -4.83 114.28 110.00 1k85 n THR 590 Ca 0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1k85 n THR 590 Cb 0.44 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1k85 n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 591 N 0.76 0.63 3.15 3.38 0.00 -1.25 -4.81 105.19 107.06 1k85 n GLY 591 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 1.90 -0.15 1.61 1.51 -0.26 -2.45 117.35 117.50 1k85 s TYR 592 Ca 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 1k85 s TYR 592 Cb 0.00 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1k85 s TYR 592 CO 0.00 -0.21 0.12 -0.51 -1.11 0.00 0.00 175.55 173.83 1k85 s ASP 593 N 0.11 6.16 -0.15 2.29 1.01 0.13 -1.67 116.67 124.55 1k85 s ASP 593 Ca -0.07 0.33 -0.07 0.00 0.71 0.00 0.00 52.55 53.45 1k85 s ASP 593 Cb -0.13 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1k85 s ASP 593 CO 0.03 0.31 0.10 -0.69 0.21 0.00 0.00 175.17 175.14 1k85 s VAL 594 N -0.44 5.16 -0.14 -1.27 1.01 -1.10 -0.71 120.40 122.91 1k85 s VAL 594 Ca 0.11 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1k85 s VAL 594 Cb -0.12 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1k85 s VAL 594 CO 0.02 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.24 1k85 s TYR 595 N -0.34 2.88 -0.27 5.22 2.02 -0.28 -1.43 117.35 125.15 1k85 s TYR 595 Ca 0.10 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1k85 s TYR 595 Cb -0.12 -1.89 0.07 0.00 -0.40 0.00 0.00 41.96 39.62 1k85 s TYR 595 CO 0.01 -0.18 -0.06 1.21 -1.57 0.00 0.00 175.55 174.97 1k85 s ASN 596 N 0.40 4.32 -1.08 2.29 2.47 0.25 -0.93 114.94 122.67 1k85 s ASN 596 Ca -0.08 -1.48 -0.09 0.00 0.42 0.00 0.00 52.86 51.63 1k85 s ASN 596 Cb -0.15 -1.43 -0.05 0.00 -1.45 0.00 0.00 41.25 38.16 1k85 s ASN 596 CO 0.04 -0.25 0.89 0.61 -3.72 0.00 0.00 177.10 174.68 1k85 n GLY 597 N 4.48 -1.10 2.93 1.21 0.00 -0.56 -2.25 105.19 109.91 1k85 n GLY 597 Ca -0.10 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.46 -1.04 -3.27 2.61 -2.24 -1.26 -4.93 114.28 100.69 1k85 n THR 598 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1k85 n THR 598 Cb 0.62 -2.16 -0.03 0.00 -2.10 0.00 0.00 70.33 66.65 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 -2.87 -1.94 0.71 6.98 0.00 -0.95 -5.15 121.76 118.53 1k85 s ALA 599 Ca 0.22 1.69 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 1k85 s ALA 599 Cb -0.11 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.95 1k85 s ALA 599 CO 0.27 -1.24 0.26 -0.11 0.00 0.00 0.00 175.76 174.94 1k85 n LEU 600 N 5.42 -0.78 0.00 0.00 7.94 -1.26 -0.58 117.00 127.74 1k85 n LEU 600 Ca -0.03 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 1k85 n LEU 600 Cb 0.51 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1k85 n LEU 600 CO 0.03 -3.75 0.00 0.00 -1.11 0.00 0.00 177.39 172.56 1k85 n ALA 601 N -2.22 1.33 -1.96 1.96 0.00 -0.51 -4.65 120.51 114.44 1k85 n ALA 601 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 1k85 n ALA 601 Cb 0.50 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 2.46 -0.04 0.00 -1.32 -1.26 -4.98 115.64 110.50 1k85 s THR 602 Ca 0.00 -0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 1k85 s THR 602 Cb 0.00 -2.93 0.03 0.00 -1.51 0.00 0.00 72.50 68.09 1k85 s THR 602 CO 0.00 0.00 0.06 -0.89 -2.21 0.00 0.00 174.62 171.58 1k85 s THR 603 N -2.98 -0.10 0.00 5.08 2.01 -1.26 -2.71 115.64 115.68 1k85 s THR 603 Ca 0.60 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1k85 s THR 603 Cb -0.10 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1k85 s THR 603 CO 0.41 0.15 0.00 1.33 -0.69 0.00 0.00 174.62 175.82 1k85 n VAL 604 N 4.91 0.00 0.00 3.82 0.24 -0.67 -4.99 118.33 121.64 1k85 n VAL 604 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1k85 n VAL 604 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1k85 n VAL 604 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1k85 n THR 605 N 0.00 0.00 0.00 3.34 -2.24 -1.26 -1.10 114.28 113.02 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 0.52 0.12 0.00 3.38 0.00 -1.26 -4.44 105.19 103.51 1k85 n GLY 606 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.16 2.61 -2.24 -1.26 -4.81 114.28 104.42 1k85 n THR 607 Ca 0.00 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1k85 n THR 607 Cb 0.00 0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.12 4.05 0.01 4.28 -4.23 -1.26 -3.21 115.64 114.16 1k85 s THR 608 Ca 0.00 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1k85 s THR 608 Cb 0.00 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1k85 s THR 608 CO 0.00 -0.16 -0.02 0.00 -0.54 0.00 0.00 174.62 173.90 1k85 s ALA 609 N -1.83 0.14 -0.13 3.99 0.00 -0.62 -4.70 121.76 118.61 1k85 s ALA 609 Ca 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 1k85 s ALA 609 Cb -0.09 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1k85 s ALA 609 CO 0.21 -0.06 -0.11 0.99 0.00 0.00 0.00 175.76 176.79 1k85 s THR 610 N -0.77 1.30 -0.10 0.00 2.01 -1.26 -1.78 115.64 115.04 1k85 s THR 610 Ca -0.08 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 1k85 s THR 610 Cb -0.05 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1k85 s THR 610 CO -0.00 0.40 0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 1k85 s ILE 611 N 1.60 4.69 0.33 1.82 1.09 -1.07 -4.74 121.20 124.90 1k85 s ILE 611 Ca 0.05 -0.10 0.10 0.00 -1.10 0.00 0.00 60.65 59.59 1k85 s ILE 611 Cb -0.13 -3.00 -0.06 0.00 -1.06 0.00 0.00 42.46 38.22 1k85 s ILE 611 CO -0.09 0.60 -0.06 -0.44 -0.10 0.00 0.00 174.94 174.85 1k85 s SER 612 N -0.87 3.96 0.00 3.58 0.01 -1.26 -2.48 113.70 116.64 1k85 s SER 612 Ca 0.13 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1k85 s SER 612 Cb -0.12 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1k85 s SER 612 CO 0.03 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1k85 n GLY 613 N -0.84 0.92 3.96 3.44 0.00 -1.10 -5.00 105.19 106.58 1k85 n GLY 613 Ca -0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1k85 n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k85 s LEU 614 N -0.90 3.95 -0.10 0.99 1.02 -0.72 -5.07 118.68 117.85 1k85 s LEU 614 Ca 0.00 0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.33 1k85 s LEU 614 Cb 0.00 -3.03 0.01 0.00 0.02 0.00 0.00 46.19 43.19 1k85 s LEU 614 CO 0.00 -0.42 -0.16 0.00 0.02 0.00 0.00 176.35 175.80 1k85 s ALA 615 N -2.29 1.65 0.93 4.21 0.00 -1.21 -4.34 121.76 120.70 1k85 s ALA 615 Ca 0.43 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 1k85 s ALA 615 Cb -0.10 -0.77 0.14 0.00 0.00 0.00 0.00 23.12 22.40 1k85 s ALA 615 CO 0.34 0.01 1.08 0.00 0.00 0.00 0.00 175.76 177.19 1k85 n ALA 616 N 4.03 -1.01 -3.82 0.00 0.00 -1.18 -3.38 120.51 115.14 1k85 n ALA 616 Ca -0.20 -0.57 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 1k85 n ALA 616 Cb 0.52 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1k85 n ALA 616 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k85 n ASP 617 N -4.01 -3.58 -3.93 0.00 2.03 -1.22 -4.94 116.55 100.90 1k85 n ASP 617 Ca 0.11 -0.78 -0.10 0.00 0.52 0.00 0.00 54.79 54.54 1k85 n ASP 617 Cb 0.52 -4.00 -0.12 0.00 -0.72 0.00 0.00 41.12 36.80 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 -3.44 0.07 0.07 5.18 2.01 -1.22 -4.98 115.64 113.34 1k85 s THR 618 Ca 0.42 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1k85 s THR 618 Cb -0.21 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 72.05 1k85 s THR 618 CO 0.82 -0.32 0.67 -0.55 -0.69 0.00 0.00 174.62 174.55 1k85 s SER 619 N -0.94 7.15 -0.02 3.53 0.15 -1.26 -2.44 113.70 119.87 1k85 s SER 619 Ca -0.10 1.37 -0.00 0.00 0.70 0.00 0.00 55.95 57.92 1k85 s SER 619 Cb -0.06 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.85 1k85 s SER 619 CO -0.00 0.16 0.03 -0.31 1.20 0.00 0.00 173.24 174.32 1k85 s TYR 620 N -0.66 0.02 -0.17 3.44 2.02 -0.88 -5.03 117.35 116.10 1k85 s TYR 620 Ca 0.33 0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 57.10 1k85 s TYR 620 Cb -0.20 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 1k85 s TYR 620 CO 0.21 -0.08 0.01 0.99 -1.57 0.00 0.00 175.55 175.11 1k85 s THR 621 N 0.96 4.36 0.34 -0.71 2.01 -1.26 -1.85 115.64 119.49 1k85 s THR 621 Ca -0.08 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1k85 s THR 621 Cb -0.11 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 1k85 s THR 621 CO -0.03 0.48 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.99 1k85 s PHE 622 N 0.31 2.21 0.12 4.92 0.08 -0.73 -1.49 117.98 123.41 1k85 s PHE 622 Ca -0.00 -0.68 -0.25 0.00 0.12 0.00 0.00 56.93 56.12 1k85 s PHE 622 Cb -0.13 -1.38 0.08 0.00 -0.57 0.00 0.00 43.02 41.02 1k85 s PHE 622 CO 0.02 0.36 0.69 0.95 -0.10 0.00 0.00 175.22 177.13 1k85 s THR 623 N -2.88 0.00 0.09 0.64 -4.23 -0.11 -1.88 115.64 107.28 1k85 s THR 623 Ca 0.33 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.86 1k85 s THR 623 Cb 0.06 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 1k85 s THR 623 CO 0.15 0.00 -0.17 0.68 -0.54 0.00 0.00 174.62 174.75 1k85 s VAL 624 N -3.57 1.39 0.02 2.29 -7.23 -1.26 -1.13 120.40 110.90 1k85 s VAL 624 Ca 0.03 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1k85 s VAL 624 Cb -0.01 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1k85 s VAL 624 CO -0.11 -0.20 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.92 1k85 s LYS 625 N -1.99 0.31 0.10 4.82 -0.14 0.11 -1.41 119.74 121.54 1k85 s LYS 625 Ca 0.03 -0.59 0.06 0.00 -1.36 0.00 0.00 55.97 54.12 1k85 s LYS 625 Cb -0.09 0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 36.13 1k85 s LYS 625 CO 0.03 -0.05 -0.04 0.00 -0.76 0.00 0.00 175.35 174.53 1k85 s ALA 626 N -1.42 3.15 0.00 5.17 0.00 -1.26 -0.69 121.76 126.71 1k85 s ALA 626 Ca -0.16 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1k85 s ALA 626 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1k85 s ALA 626 CO -0.01 0.66 -0.02 0.15 0.00 0.00 0.00 175.76 176.54 1k85 s LYS 627 N -2.33 0.20 0.34 0.00 1.02 -1.03 -1.03 119.74 116.91 1k85 s LYS 627 Ca 0.24 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.13 1k85 s LYS 627 Cb -0.11 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 1k85 s LYS 627 CO 0.17 0.03 0.24 -0.51 -0.92 0.00 0.00 175.35 174.36 1k85 s ASP 628 N -0.31 5.08 0.00 2.83 1.11 -0.78 -1.36 116.67 123.24 1k85 s ASP 628 Ca -0.02 -0.60 0.10 0.00 0.18 0.00 0.00 52.55 52.21 1k85 s ASP 628 Cb -0.02 -0.88 0.28 0.00 1.07 0.00 0.00 42.92 43.36 1k85 s ASP 628 CO -0.00 -0.34 1.23 0.00 1.18 0.00 0.00 175.17 177.23 1k85 n ALA 629 N -1.30 2.45 1.19 5.23 0.00 -0.32 -3.57 120.51 124.18 1k85 n ALA 629 Ca -0.02 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.00 1k85 n ALA 629 Cb 0.60 -0.98 0.26 0.00 0.00 0.00 0.00 19.45 19.34 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 0.41 2.51 -0.87 0.00 0.00 -1.26 -4.93 120.51 116.37 1k85 n ALA 630 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1k85 n ALA 630 Cb 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.28 1.09 3.31 0.00 0.00 -1.23 -5.09 105.19 104.55 1k85 n GLY 631 Ca 0.16 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -2.49 2.33 0.01 1.61 -0.87 -1.26 -5.05 114.94 109.22 1k85 s ASN 632 Ca 0.00 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.29 1k85 s ASN 632 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.25 41.12 1k85 s ASN 632 CO 0.00 -0.21 -0.02 0.54 -2.57 0.00 0.00 177.10 174.83 1k85 s VAL 633 N -3.02 0.11 0.45 1.60 0.11 -1.26 -1.87 120.40 116.53 1k85 s VAL 633 Ca 0.20 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1k85 s VAL 633 Cb -0.00 -0.20 0.10 0.00 -1.53 0.00 0.00 36.38 34.75 1k85 s VAL 633 CO 0.05 -0.29 0.62 -1.54 -3.33 0.00 0.00 175.10 170.61 1k85 n SER 634 N 2.18 0.18 -4.56 3.54 3.41 -0.20 -4.55 113.62 113.62 1k85 n SER 634 Ca -0.19 -1.31 -0.25 0.00 -0.26 0.00 0.00 58.87 56.87 1k85 n SER 634 Cb 0.57 -0.46 0.13 0.00 -0.26 0.00 0.00 64.21 64.18 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 -3.76 3.50 0.15 7.33 0.00 -1.26 -4.70 121.76 123.01 1k85 s ALA 635 Ca 0.36 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1k85 s ALA 635 Cb -0.01 -2.09 -0.07 0.00 0.00 0.00 0.00 23.12 20.95 1k85 s ALA 635 CO 0.25 -1.66 0.63 0.00 0.00 0.00 0.00 175.76 174.98 1k85 s ALA 636 N -3.28 3.52 1.00 0.00 0.00 -1.26 -4.43 121.76 117.30 1k85 s ALA 636 Ca 0.68 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1k85 s ALA 636 Cb -0.04 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1k85 s ALA 636 CO 0.46 0.38 0.00 -1.13 0.00 0.00 0.00 175.76 175.47 1k85 n SER 637 N 1.11 -0.19 -4.76 0.00 3.41 -0.50 -4.93 113.62 107.76 1k85 n SER 637 Ca -0.06 -0.58 -0.40 0.00 -0.26 0.00 0.00 58.87 57.57 1k85 n SER 637 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1k85 n SER 637 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k85 s ASN 638 N -1.14 7.21 -0.24 4.04 2.20 -1.26 -4.76 114.94 121.00 1k85 s ASN 638 Ca 0.00 2.28 -0.29 0.00 -0.94 0.00 0.00 52.86 53.91 1k85 s ASN 638 Cb 0.00 -2.63 0.01 0.00 -2.00 0.00 0.00 41.25 36.63 1k85 s ASN 638 CO 0.00 -0.18 1.06 0.00 -2.94 0.00 0.00 177.10 175.04 1k85 s ALA 639 N -1.19 3.66 -0.13 3.54 0.00 -1.26 -4.56 121.76 121.82 1k85 s ALA 639 Ca 0.45 0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 1k85 s ALA 639 Cb -0.32 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1k85 s ALA 639 CO 0.41 -1.12 0.14 0.54 0.00 0.00 0.00 175.76 175.74 1k85 s VAL 640 N 3.28 5.49 -0.74 0.00 0.11 -0.79 -4.89 120.40 122.85 1k85 s VAL 640 Ca 0.45 0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 59.64 1k85 s VAL 640 Cb -0.15 -3.42 0.19 0.00 -1.53 0.00 0.00 36.38 31.48 1k85 s VAL 640 CO 0.08 0.59 0.61 -0.55 -3.33 0.00 0.00 175.10 172.50 1k85 s SER 641 N -0.80 5.94 -0.05 3.54 0.15 -1.26 -1.77 113.70 119.44 1k85 s SER 641 Ca 0.14 -2.89 0.01 0.00 0.70 0.00 0.00 55.95 53.91 1k85 s SER 641 Cb -0.12 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1k85 s SER 641 CO 0.03 -0.43 -0.06 0.68 1.20 0.00 0.00 173.24 174.67 1k85 s VAL 642 N -0.13 3.78 0.37 4.45 -7.23 -0.77 -4.95 120.40 115.93 1k85 s VAL 642 Ca 0.19 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 1k85 s VAL 642 Cb -0.15 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 1k85 s VAL 642 CO -0.06 0.54 0.56 -1.59 -0.31 0.00 0.00 175.10 174.24 1k85 s LYS 643 N -0.99 3.21 0.00 4.82 -2.85 -1.26 -2.08 119.74 120.59 1k85 s LYS 643 Ca 0.14 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 1k85 s LYS 643 Cb -0.11 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1k85 s LYS 643 CO 0.03 -0.01 0.30 0.25 0.10 0.00 0.00 175.35 176.02