#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 -4.83 -0.78 -0.41 0.00 -1.26 -4.94 117.12 104.90 1k85 n MET 558 Ca 0.00 3.57 -0.32 0.00 -0.00 0.00 0.00 57.70 60.95 1k85 n MET 558 Cb 0.00 -4.80 0.14 0.00 0.00 0.00 0.00 33.22 28.56 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 1.73 -1.57 -1.00 -5.12 0.00 -1.26 -5.00 120.51 108.29 1k85 n ALA 559 Ca -0.20 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1k85 n ALA 559 Cb 0.30 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.92 -1.22 -3.06 0.00 -0.04 -1.26 -4.89 135.00 121.61 1k85 n PRO 560 Ca 0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 1k85 n PRO 560 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.91 4.91 0.16 0.52 2.01 -1.26 -4.53 115.64 116.54 1k85 s THR 561 Ca 0.00 1.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 1k85 s THR 561 Cb 0.00 -4.03 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 1k85 s THR 561 CO 0.00 -0.12 1.79 0.00 -0.69 0.00 0.00 174.62 175.60 1k85 s ALA 562 N 2.68 3.85 0.83 7.40 0.00 -1.26 -4.42 121.76 130.84 1k85 s ALA 562 Ca 0.28 1.52 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 1k85 s ALA 562 Cb -0.15 -3.74 -0.07 0.00 0.00 0.00 0.00 23.12 19.17 1k85 s ALA 562 CO 0.11 -1.10 0.03 -2.30 0.00 0.00 0.00 175.76 172.50 1k85 n PRO 563 N 4.95 0.02 -3.61 0.00 -0.02 -1.26 -4.92 135.00 130.17 1k85 n PRO 563 Ca 0.17 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 1k85 n PRO 563 Cb 0.37 -1.49 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.08 0.06 -1.20 3.45 -1.32 -1.24 -4.23 115.64 109.08 1k85 s THR 564 Ca 0.55 -0.48 -0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1k85 s THR 564 Cb -0.28 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1k85 s THR 564 CO 0.69 -0.26 1.00 -3.20 -2.21 0.00 0.00 174.62 170.63 1k85 n ASN 565 N -0.15 -2.06 -4.81 8.08 2.85 -1.26 -1.79 115.26 116.11 1k85 n ASN 565 Ca -0.16 -0.62 -0.31 0.00 -0.11 0.00 0.00 54.58 53.37 1k85 n ASN 565 Cb 0.63 -5.13 0.05 0.00 1.24 0.00 0.00 39.78 36.58 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 -6.36 3.14 0.00 1.20 2.96 -1.26 -4.17 118.68 114.18 1k85 s LEU 566 Ca 0.00 1.66 -0.11 0.00 -0.22 0.00 0.00 54.13 55.47 1k85 s LEU 566 Cb -0.00 -4.50 0.04 0.00 0.50 0.00 0.00 46.19 42.23 1k85 s LEU 566 CO 0.73 -1.53 0.57 0.00 -1.32 0.00 0.00 176.35 174.81 1k85 n ALA 567 N -3.13 -1.33 -3.55 5.97 0.00 0.97 -4.95 120.51 114.49 1k85 n ALA 567 Ca 0.08 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 1k85 n ALA 567 Cb 0.53 0.65 -0.16 0.00 0.00 0.00 0.00 19.45 20.47 1k85 n ALA 567 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k85 s SER 568 N -2.47 0.99 0.00 0.00 1.04 -1.26 -1.74 113.70 110.26 1k85 s SER 568 Ca 0.12 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1k85 s SER 568 Cb -0.03 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1k85 s SER 568 CO 0.07 -0.03 0.00 0.35 0.98 0.00 0.00 173.24 174.61 1k85 n THR 569 N 3.92 0.00 -2.76 2.02 -2.24 -0.68 -4.93 114.28 109.61 1k85 n THR 569 Ca -0.25 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1k85 n THR 569 Cb 0.51 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.97 3.06 -0.21 6.98 0.00 -1.26 -4.89 121.76 121.47 1k85 s ALA 570 Ca 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1k85 s ALA 570 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.26 1k85 s ALA 570 CO 0.00 -2.66 -0.15 -0.65 0.00 0.00 0.00 175.76 172.30 1k85 s GLN 571 N 4.41 2.80 0.00 0.00 -0.21 -1.26 -0.19 119.66 125.20 1k85 s GLN 571 Ca 0.31 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1k85 s GLN 571 Cb -0.12 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.17 1k85 s GLN 571 CO 0.17 -0.32 0.00 0.25 -2.12 0.00 0.00 175.29 173.27 1k85 n THR 572 N 4.59 0.00 0.22 -0.19 -2.24 -0.31 -5.00 114.28 111.35 1k85 n THR 572 Ca -0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1k85 n THR 572 Cb 0.48 -0.57 0.20 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.08 1.19 0.00 4.28 -2.24 -1.26 -4.45 114.28 111.72 1k85 n THR 573 Ca 0.00 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1k85 n THR 573 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.43 0.00 -4.98 3.42 3.41 -1.25 -4.41 113.62 110.23 1k85 n SER 574 Ca 0.14 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.57 1k85 n SER 574 Cb 0.63 0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.32 5.78 -0.11 4.04 1.04 -1.26 -1.73 113.70 120.13 1k85 s SER 575 Ca 0.00 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 55.82 1k85 s SER 575 Cb 0.00 -0.99 0.07 0.00 0.10 0.00 0.00 66.02 65.21 1k85 s SER 575 CO 0.00 -0.55 0.71 -0.51 0.98 0.00 0.00 173.24 173.87 1k85 s ILE 576 N -2.26 0.00 -0.08 -1.02 2.07 -0.46 -1.16 121.20 118.29 1k85 s ILE 576 Ca 0.48 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.76 1k85 s ILE 576 Cb -0.09 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.48 1k85 s ILE 576 CO 0.31 0.00 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.27 1k85 s THR 577 N -0.77 2.64 -0.07 4.00 2.01 0.73 -1.80 115.64 122.37 1k85 s THR 577 Ca -0.08 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1k85 s THR 577 Cb -0.01 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1k85 s THR 577 CO 0.07 0.56 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.58 1k85 s LEU 578 N -0.11 2.21 -0.05 4.42 1.02 -0.44 -1.68 118.68 124.04 1k85 s LEU 578 Ca -0.03 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.68 1k85 s LEU 578 Cb -0.14 -1.43 0.01 0.00 0.02 0.00 0.00 46.19 44.65 1k85 s LEU 578 CO 0.04 0.23 -0.13 -0.94 0.02 0.00 0.00 176.35 175.56 1k85 s SER 579 N -0.04 1.82 0.23 2.29 1.04 -0.71 -1.36 113.70 116.97 1k85 s SER 579 Ca -0.06 -0.30 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 1k85 s SER 579 Cb -0.15 -0.66 -0.01 0.00 0.10 0.00 0.00 66.02 65.30 1k85 s SER 579 CO 0.05 0.08 0.37 -1.66 0.98 0.00 0.00 173.24 173.06 1k85 s TRP 580 N 0.35 0.59 -0.34 5.02 -2.14 -1.09 -0.02 118.94 121.31 1k85 s TRP 580 Ca -0.09 -0.91 -0.28 0.00 2.66 0.00 0.00 56.10 57.48 1k85 s TRP 580 Cb -0.13 -0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.22 1k85 s TRP 580 CO 0.03 -0.88 1.03 0.99 -2.66 0.00 0.00 176.95 175.45 1k85 s THR 581 N -4.06 4.52 0.76 0.66 2.01 -0.74 -4.85 115.64 113.95 1k85 s THR 581 Ca 0.27 1.55 -0.15 0.00 0.31 0.00 0.00 61.69 63.67 1k85 s THR 581 Cb 0.02 -4.39 0.06 0.00 0.01 0.00 0.00 72.50 68.19 1k85 s THR 581 CO 0.09 -0.52 1.24 0.00 -0.69 0.00 0.00 174.62 174.74 1k85 s ALA 582 N 3.63 1.98 0.25 7.40 0.00 -1.26 -3.70 121.76 130.05 1k85 s ALA 582 Ca 0.43 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1k85 s ALA 582 Cb -0.12 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 1k85 s ALA 582 CO 0.17 -2.12 1.62 -1.54 0.00 0.00 0.00 175.76 173.89 1k85 s SER 583 N -1.92 6.42 0.52 0.00 1.04 -1.26 -4.89 113.70 113.61 1k85 s SER 583 Ca 0.76 2.86 0.31 0.00 0.48 0.00 0.00 55.95 60.36 1k85 s SER 583 Cb -0.32 -2.62 1.10 0.00 0.10 0.00 0.00 66.02 64.29 1k85 s SER 583 CO 0.48 -0.90 1.89 0.74 0.98 0.00 0.00 173.24 176.42 1k85 h THR 584 N 3.60 0.00 -0.98 2.02 2.02 -1.91 -3.28 112.91 114.39 1k85 h THR 584 Ca -0.45 -0.63 -0.56 0.00 0.77 0.00 0.00 66.41 65.54 1k85 h THR 584 Cb 1.21 1.63 -0.14 0.00 -1.74 0.00 0.00 68.15 69.11 1k85 h THR 584 CO 0.86 0.00 1.10 0.47 0.37 0.00 0.00 175.52 178.32 1k85 n ASP 585 N -3.08 6.97 -3.37 4.18 9.92 -1.26 -4.92 116.55 124.98 1k85 n ASP 585 Ca 0.01 -3.11 0.00 0.00 -0.53 0.00 0.00 54.79 51.16 1k85 n ASP 585 Cb 0.36 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 1k85 n ASP 585 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1k85 n ASN 586 N 1.36 0.00 0.00 -2.24 6.94 -1.24 -4.32 115.26 115.76 1k85 n ASN 586 Ca 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 1k85 n ASN 586 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1k85 n ASN 586 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1k85 n VAL 587 N -0.00 0.00 0.00 3.53 3.14 -1.26 -4.25 118.33 119.48 1k85 n VAL 587 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1k85 n VAL 587 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1k85 n VAL 587 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k85 n GLY 588 N -1.68 0.00 3.77 7.55 0.00 -1.26 -5.08 105.19 108.48 1k85 n GLY 588 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.16 2.77 -0.05 1.61 1.01 -1.26 -4.14 120.40 119.17 1k85 s VAL 589 Ca 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1k85 s VAL 589 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1k85 s VAL 589 CO 0.00 0.02 -0.10 0.35 0.00 0.00 0.00 175.10 175.37 1k85 n THR 590 N -0.40 0.44 -3.94 3.92 -2.24 -1.12 -4.93 114.28 106.01 1k85 n THR 590 Ca 0.07 0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 62.19 1k85 n THR 590 Cb 0.46 -1.75 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 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 1.50 3.32 3.10 3.38 0.00 -1.25 -4.79 105.19 110.45 1k85 n GLY 591 Ca -0.04 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.23 1.81 -0.22 1.61 1.51 0.16 -2.45 117.35 116.53 1k85 s TYR 592 Ca 0.11 -0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1k85 s TYR 592 Cb 0.00 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1k85 s TYR 592 CO 0.08 -0.30 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.70 1k85 s ASP 593 N 0.47 4.54 -0.15 2.29 1.11 -0.00 -1.52 116.67 123.42 1k85 s ASP 593 Ca -0.14 -0.33 -0.09 0.00 0.18 0.00 0.00 52.55 52.18 1k85 s ASP 593 Cb -0.16 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 1k85 s ASP 593 CO 0.05 -0.01 0.15 0.54 1.18 0.00 0.00 175.17 177.08 1k85 s VAL 594 N 1.43 5.45 0.52 -1.27 0.11 -1.13 -0.99 120.40 124.53 1k85 s VAL 594 Ca 0.05 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.42 1k85 s VAL 594 Cb -0.14 -3.44 0.06 0.00 -1.53 0.00 0.00 36.38 31.32 1k85 s VAL 594 CO -0.01 0.55 0.72 -0.31 -3.33 0.00 0.00 175.10 172.72 1k85 s TYR 595 N -0.49 2.00 -0.39 1.54 1.51 0.96 -1.33 117.35 121.15 1k85 s TYR 595 Ca 0.13 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1k85 s TYR 595 Cb -0.12 -2.33 0.16 0.00 -0.11 0.00 0.00 41.96 39.56 1k85 s TYR 595 CO 0.02 -0.90 0.30 1.21 -1.11 0.00 0.00 175.55 175.07 1k85 s ASN 596 N -4.54 1.97 0.00 2.29 2.47 0.22 -2.57 114.94 114.79 1k85 s ASN 596 Ca 0.59 -2.63 0.00 0.00 0.42 0.00 0.00 52.86 51.24 1k85 s ASN 596 Cb -0.07 -0.34 0.00 0.00 -1.45 0.00 0.00 41.25 39.39 1k85 s ASN 596 CO 0.37 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.13 1k85 n GLY 597 N 3.38 2.02 1.20 1.21 0.00 -0.81 -3.59 105.19 108.60 1k85 n GLY 597 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.66 2.61 -2.24 -1.26 -5.11 114.28 104.62 1k85 n THR 598 Ca 0.00 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1k85 n THR 598 Cb 0.00 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.02 -1.59 0.28 6.98 0.00 -1.24 -5.14 121.76 121.07 1k85 s ALA 599 Ca 0.01 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1k85 s ALA 599 Cb 0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 23.12 21.95 1k85 s ALA 599 CO -0.02 -0.31 1.44 -0.11 0.00 0.00 0.00 175.76 176.76 1k85 n LEU 600 N 3.20 3.66 0.00 0.00 -0.00 -1.26 -0.61 117.00 121.98 1k85 n LEU 600 Ca -0.16 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 1k85 n LEU 600 Cb 0.56 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1k85 n LEU 600 CO 0.04 -0.26 0.00 0.00 -0.00 0.00 0.00 177.39 177.17 1k85 n ALA 601 N 1.57 0.00 -2.29 1.96 0.00 -0.44 -4.80 120.51 116.50 1k85 n ALA 601 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 1k85 n ALA 601 Cb 0.34 0.00 0.01 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 1.43 4.23 -0.06 0.00 -1.32 -1.24 -4.98 115.64 113.71 1k85 s THR 602 Ca 0.00 -0.23 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1k85 s THR 602 Cb 0.00 -3.60 0.01 0.00 -1.51 0.00 0.00 72.50 67.40 1k85 s THR 602 CO 0.00 -0.50 -0.15 -0.89 -2.21 0.00 0.00 174.62 170.87 1k85 s THR 603 N -2.67 1.33 0.38 5.08 2.01 -1.26 -2.85 115.64 117.65 1k85 s THR 603 Ca 0.48 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1k85 s THR 603 Cb -0.10 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1k85 s THR 603 CO 0.41 0.39 0.23 1.33 -0.69 0.00 0.00 174.62 176.29 1k85 n VAL 604 N 3.58 0.00 -0.36 3.82 0.24 -0.57 -4.95 118.33 120.09 1k85 n VAL 604 Ca -0.21 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.61 1k85 n VAL 604 Cb 0.52 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.67 114.28 112.66 1k85 n THR 605 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 605 Cb 0.63 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 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 0.09 0.85 0.00 3.38 0.00 -1.26 -4.68 105.19 103.57 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 0.51 -4.11 2.61 -2.24 -1.26 -4.78 114.28 105.01 1k85 n THR 607 Ca 0.00 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 1k85 n THR 607 Cb 0.00 0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.51 0.36 0.19 4.28 -4.23 -1.26 -2.66 115.64 111.81 1k85 s THR 608 Ca 0.00 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.43 1k85 s THR 608 Cb 0.00 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1k85 s THR 608 CO 0.00 0.11 -0.19 0.00 -0.54 0.00 0.00 174.62 174.00 1k85 s ALA 609 N 0.01 2.21 -0.08 3.99 0.00 -0.46 -4.79 121.76 122.64 1k85 s ALA 609 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1k85 s ALA 609 Cb -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1k85 s ALA 609 CO -0.00 0.27 -0.09 0.99 0.00 0.00 0.00 175.76 176.93 1k85 s THR 610 N -2.08 1.01 -0.17 0.00 2.01 -1.26 -1.33 115.64 113.82 1k85 s THR 610 Ca 0.19 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1k85 s THR 610 Cb -0.06 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1k85 s THR 610 CO 0.08 0.35 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.55 1k85 s ILE 611 N 1.18 1.88 0.47 1.82 1.01 -0.75 -4.76 121.20 122.06 1k85 s ILE 611 Ca -0.05 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1k85 s ILE 611 Cb -0.14 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1k85 s ILE 611 CO -0.02 0.49 0.42 -0.44 0.00 0.00 0.00 174.94 175.39 1k85 s SER 612 N 1.36 4.89 -0.76 3.58 0.01 -1.26 -1.35 113.70 120.16 1k85 s SER 612 Ca 0.04 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 1k85 s SER 612 Cb -0.13 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1k85 s SER 612 CO -0.12 -0.87 0.66 0.61 0.41 0.00 0.00 173.24 173.94 1k85 n GLY 613 N -1.68 -0.54 3.11 3.44 0.00 -1.05 -4.92 105.19 103.56 1k85 n GLY 613 Ca 0.03 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.75 3.01 0.22 0.99 1.43 -0.71 -5.05 118.68 113.82 1k85 s LEU 614 Ca 0.30 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 1k85 s LEU 614 Cb -0.04 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1k85 s LEU 614 CO 0.53 -0.12 1.47 0.00 0.23 0.00 0.00 176.35 178.46 1k85 s ALA 615 N 1.20 3.66 1.15 4.21 0.00 -1.26 -3.97 121.76 126.75 1k85 s ALA 615 Ca -0.03 1.33 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 1k85 s ALA 615 Cb -0.17 -3.57 0.26 0.00 0.00 0.00 0.00 23.12 19.64 1k85 s ALA 615 CO -0.07 -0.75 1.06 0.00 0.00 0.00 0.00 175.76 176.00 1k85 s ALA 616 N 0.30 0.32 -1.50 0.00 0.00 -1.26 -3.89 121.76 115.73 1k85 s ALA 616 Ca 0.62 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1k85 s ALA 616 Cb -0.42 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1k85 s ALA 616 CO 0.40 -3.50 0.60 -3.47 0.00 0.00 0.00 175.76 169.79 1k85 n ASP 617 N -4.69 -5.65 -3.90 0.00 2.03 -1.25 -4.95 116.55 98.15 1k85 n ASP 617 Ca 0.08 -0.31 -0.11 0.00 0.52 0.00 0.00 54.79 54.96 1k85 n ASP 617 Cb 0.58 -4.58 -0.13 0.00 -0.72 0.00 0.00 41.12 36.27 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 -3.13 0.03 -0.39 5.18 2.01 -1.25 -5.00 115.64 113.10 1k85 s THR 618 Ca 0.33 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 1k85 s THR 618 Cb -0.15 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1k85 s THR 618 CO 0.41 -0.14 0.28 -0.55 -0.69 0.00 0.00 174.62 173.92 1k85 s SER 619 N -0.42 6.09 -0.19 3.53 0.15 -1.26 -2.13 113.70 119.47 1k85 s SER 619 Ca -0.05 -0.73 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 1k85 s SER 619 Cb -0.03 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1k85 s SER 619 CO -0.00 -0.38 0.05 -0.31 1.20 0.00 0.00 173.24 173.80 1k85 s TYR 620 N 1.70 3.17 -0.38 3.44 2.02 -0.36 -4.91 117.35 122.02 1k85 s TYR 620 Ca 0.05 -0.11 -0.11 0.00 -0.37 0.00 0.00 57.07 56.54 1k85 s TYR 620 Cb -0.18 -2.09 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1k85 s TYR 620 CO 0.10 -0.00 0.21 0.99 -1.57 0.00 0.00 175.55 175.28 1k85 s THR 621 N 0.66 4.57 0.27 -0.71 2.01 -1.26 -1.66 115.64 119.54 1k85 s THR 621 Ca 0.02 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1k85 s THR 621 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1k85 s THR 621 CO 0.02 -0.26 0.33 -0.36 -0.69 0.00 0.00 174.62 173.67 1k85 s PHE 622 N 1.55 3.23 -0.03 4.92 0.08 -1.03 -1.91 117.98 124.78 1k85 s PHE 622 Ca 0.02 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.79 1k85 s PHE 622 Cb -0.19 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1k85 s PHE 622 CO 0.07 0.33 0.36 0.95 -0.10 0.00 0.00 175.22 176.83 1k85 s THR 623 N -2.10 0.04 0.12 0.64 -4.23 -1.06 -0.96 115.64 108.10 1k85 s THR 623 Ca 0.37 -0.37 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1k85 s THR 623 Cb -0.08 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 1k85 s THR 623 CO 0.28 -0.20 -0.02 0.68 -0.54 0.00 0.00 174.62 174.82 1k85 s VAL 624 N -1.14 3.81 0.02 2.29 -7.23 -1.26 -0.03 120.40 116.86 1k85 s VAL 624 Ca -0.12 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1k85 s VAL 624 Cb -0.04 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 1k85 s VAL 624 CO 0.04 0.04 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.30 1k85 s LYS 625 N -2.52 0.32 -0.20 4.82 1.02 -0.16 -1.32 119.74 121.70 1k85 s LYS 625 Ca 0.26 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1k85 s LYS 625 Cb -0.11 0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1k85 s LYS 625 CO 0.18 -0.05 -0.06 0.00 -0.92 0.00 0.00 175.35 174.50 1k85 s ALA 626 N -1.50 2.79 0.25 5.17 0.00 -1.26 -0.82 121.76 126.38 1k85 s ALA 626 Ca -0.15 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 50.79 1k85 s ALA 626 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1k85 s ALA 626 CO -0.01 -0.31 -0.09 -1.59 0.00 0.00 0.00 175.76 173.77 1k85 s LYS 627 N 1.27 2.05 0.42 0.00 0.00 -1.02 -1.10 119.74 121.35 1k85 s LYS 627 Ca 0.03 -1.48 0.06 0.00 0.00 0.00 0.00 55.97 54.59 1k85 s LYS 627 Cb -0.14 -2.05 -0.07 0.00 0.00 0.00 0.00 37.83 35.57 1k85 s LYS 627 CO -0.02 0.37 0.04 -0.51 0.00 0.00 0.00 175.35 175.23 1k85 s ASP 628 N -3.39 3.99 -1.33 0.03 1.11 -1.00 -2.77 116.67 113.32 1k85 s ASP 628 Ca 0.29 -1.36 -0.06 0.00 0.18 0.00 0.00 52.55 51.60 1k85 s ASP 628 Cb -0.07 -0.29 0.11 0.00 1.07 0.00 0.00 42.92 43.75 1k85 s ASP 628 CO 0.17 -0.52 2.38 0.00 1.18 0.00 0.00 175.17 178.39 1k85 n ALA 629 N -1.05 6.77 0.00 5.23 0.00 -1.26 -3.94 120.51 126.26 1k85 n ALA 629 Ca -0.06 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1k85 n ALA 629 Cb 0.67 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 1.91 0.13 0.00 0.00 0.00 -1.26 -5.04 120.51 116.25 1k85 n ALA 630 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1k85 n ALA 630 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.34 -0.22 3.37 0.00 0.00 -1.25 -5.14 105.19 100.61 1k85 n GLY 631 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1k85 n GLY 631 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k85 s ASN 632 N -0.13 4.31 0.02 1.61 -0.87 -1.26 -5.03 114.94 113.59 1k85 s ASN 632 Ca 0.00 -0.32 0.09 0.00 -1.57 0.00 0.00 52.86 51.06 1k85 s ASN 632 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1k85 s ASN 632 CO 0.00 0.08 -0.26 0.68 -2.57 0.00 0.00 177.10 175.03 1k85 s VAL 633 N 0.90 2.16 0.28 1.60 -7.23 -1.26 -2.36 120.40 114.49 1k85 s VAL 633 Ca -0.01 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1k85 s VAL 633 Cb -0.15 -1.81 0.07 0.00 0.56 0.00 0.00 36.38 35.05 1k85 s VAL 633 CO 0.01 0.45 0.35 -1.54 -0.31 0.00 0.00 175.10 174.06 1k85 n SER 634 N 2.03 -0.28 -4.87 4.85 3.41 -0.26 -4.73 113.62 113.77 1k85 n SER 634 Ca -0.17 -1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 57.12 1k85 n SER 634 Cb 0.52 -0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.27 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 2.59 -0.09 7.33 0.00 -1.26 -4.73 121.76 121.83 1k85 s ALA 635 Ca 0.20 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 1k85 s ALA 635 Cb -0.01 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1k85 s ALA 635 CO 0.15 -1.59 0.68 0.00 0.00 0.00 0.00 175.76 174.99 1k85 s ALA 636 N -3.45 3.38 1.34 0.00 0.00 -1.26 -4.36 121.76 117.41 1k85 s ALA 636 Ca 0.61 0.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 636 Cb -0.12 -2.94 0.34 0.00 0.00 0.00 0.00 23.12 20.40 1k85 s ALA 636 CO 0.51 -0.17 1.02 0.45 0.00 0.00 0.00 175.76 177.57 1k85 s SER 637 N 0.84 -0.33 0.79 0.00 0.15 -0.43 -4.96 113.70 109.75 1k85 s SER 637 Ca 0.35 0.65 -0.12 0.00 0.70 0.00 0.00 55.95 57.53 1k85 s SER 637 Cb -0.17 -0.88 0.07 0.00 -1.71 0.00 0.00 66.02 63.33 1k85 s SER 637 CO 0.16 -4.89 1.15 0.20 1.20 0.00 0.00 173.24 171.05 1k85 s ASN 638 N -3.61 3.98 0.05 5.45 0.01 -1.26 -4.61 114.94 114.94 1k85 s ASN 638 Ca 0.70 2.12 -0.20 0.00 -0.71 0.00 0.00 52.86 54.78 1k85 s ASN 638 Cb -0.10 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 38.94 1k85 s ASN 638 CO 0.56 -2.40 0.57 0.00 -1.51 0.00 0.00 177.10 174.33 1k85 s ALA 639 N -2.48 3.56 -0.33 0.60 0.00 -1.26 -4.48 121.76 117.37 1k85 s ALA 639 Ca 0.68 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 1k85 s ALA 639 Cb -0.23 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1k85 s ALA 639 CO 0.51 0.33 0.08 0.14 0.00 0.00 0.00 175.76 176.82 1k85 s VAL 640 N -0.84 3.41 -0.43 0.00 -7.23 -0.13 -4.90 120.40 110.28 1k85 s VAL 640 Ca 0.29 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 1k85 s VAL 640 Cb -0.19 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.78 1k85 s VAL 640 CO 0.18 -0.22 1.08 -0.55 -0.31 0.00 0.00 175.10 175.28 1k85 s SER 641 N 1.42 6.68 -0.09 4.85 0.15 -1.26 -2.46 113.70 122.98 1k85 s SER 641 Ca -0.02 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.21 1k85 s SER 641 Cb -0.20 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1k85 s SER 641 CO 0.00 -1.11 -0.19 0.68 1.20 0.00 0.00 173.24 173.82 1k85 s VAL 642 N 4.11 1.70 -0.32 4.45 -7.23 -0.66 -4.97 120.40 117.48 1k85 s VAL 642 Ca 0.45 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.71 1k85 s VAL 642 Cb -0.09 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 1k85 s VAL 642 CO 0.26 0.48 0.20 -1.59 -0.31 0.00 0.00 175.10 174.15 1k85 s LYS 643 N 0.56 3.46 0.00 4.82 -2.85 -1.26 -1.23 119.74 123.24 1k85 s LYS 643 Ca -0.15 -0.65 0.29 0.00 -1.00 0.00 0.00 55.97 54.46 1k85 s LYS 643 Cb -0.17 -3.70 1.36 0.00 -2.06 0.00 0.00 37.83 33.26 1k85 s LYS 643 CO 0.05 -0.41 1.92 0.25 0.10 0.00 0.00 175.35 177.25