#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 -1.46 -2.53 1.57 0.00 -1.26 -4.95 117.12 108.48 1k85 n MET 558 Ca 0.00 1.19 -0.33 0.00 0.00 0.00 0.00 57.70 58.57 1k85 n MET 558 Cb 0.00 -5.59 -0.04 0.00 0.00 0.00 0.00 33.22 27.59 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 -2.74 3.03 1.00 3.04 0.00 -1.26 -4.93 121.76 119.90 1k85 s ALA 559 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1k85 s ALA 559 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1k85 s ALA 559 CO 0.00 -0.14 0.00 -0.35 0.00 0.00 0.00 175.76 175.27 1k85 n PRO 560 N -1.25 1.77 -4.02 0.00 -0.04 -1.26 -4.92 135.00 125.28 1k85 n PRO 560 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1k85 n PRO 560 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 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 4.78 0.04 0.52 -4.23 -1.26 -4.64 115.64 110.85 1k85 s THR 561 Ca 0.00 -0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.17 1k85 s THR 561 Cb 0.00 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 1k85 s THR 561 CO 0.00 0.47 1.39 0.00 -0.54 0.00 0.00 174.62 175.94 1k85 s ALA 562 N 0.30 3.57 0.50 3.99 0.00 -1.26 -4.66 121.76 124.21 1k85 s ALA 562 Ca 0.03 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 52.75 1k85 s ALA 562 Cb -0.12 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 1k85 s ALA 562 CO 0.00 -0.80 0.50 -2.30 0.00 0.00 0.00 175.76 173.16 1k85 n PRO 563 N 4.87 0.53 -4.13 0.00 -0.02 -1.26 -4.91 135.00 130.08 1k85 n PRO 563 Ca 0.12 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1k85 n PRO 563 Cb 0.43 -1.59 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 1k85 n PRO 563 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k85 s THR 564 N -1.63 0.35 -1.20 3.45 -4.23 -1.25 -4.20 115.64 106.94 1k85 s THR 564 Ca 0.65 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1k85 s THR 564 Cb -0.51 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1k85 s THR 564 CO 0.57 -0.85 0.90 0.59 -0.54 0.00 0.00 174.62 175.29 1k85 n ASN 565 N 0.02 -2.62 -4.81 3.99 4.13 -1.26 -1.71 115.26 113.00 1k85 n ASN 565 Ca -0.12 -0.70 -0.31 0.00 1.68 0.00 0.00 54.58 55.13 1k85 n ASN 565 Cb 0.62 -4.81 0.05 0.00 -1.54 0.00 0.00 39.78 34.09 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 -6.30 3.21 0.00 3.41 2.96 -1.26 -4.10 118.68 116.60 1k85 s LEU 566 Ca 0.09 1.71 -0.12 0.00 -0.22 0.00 0.00 54.13 55.58 1k85 s LEU 566 Cb -0.01 -4.51 0.05 0.00 0.50 0.00 0.00 46.19 42.21 1k85 s LEU 566 CO 0.76 -1.47 0.64 0.00 -1.32 0.00 0.00 176.35 174.95 1k85 n ALA 567 N -2.91 -1.47 -3.72 5.97 0.00 0.94 -4.96 120.51 114.35 1k85 n ALA 567 Ca 0.08 -0.95 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 1k85 n ALA 567 Cb 0.53 0.73 -0.17 0.00 0.00 0.00 0.00 19.45 20.55 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 -2.64 0.66 0.00 0.00 1.04 -1.26 -1.78 113.70 109.73 1k85 s SER 568 Ca 0.13 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1k85 s SER 568 Cb -0.04 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1k85 s SER 568 CO 0.08 -0.17 0.00 0.35 0.98 0.00 0.00 173.24 174.49 1k85 n THR 569 N 4.63 0.00 -2.89 2.02 -2.24 -0.56 -4.91 114.28 110.33 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 0.50 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 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 -4.38 3.16 -0.20 6.98 0.00 -1.26 -4.92 121.76 121.15 1k85 s ALA 570 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.36 1k85 s ALA 570 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1k85 s ALA 570 CO 0.00 -2.54 -0.16 -1.14 0.00 0.00 0.00 175.76 171.92 1k85 s GLN 571 N 3.85 2.58 0.00 0.00 -0.44 -1.26 -0.46 119.66 123.92 1k85 s GLN 571 Ca 0.24 -0.92 0.00 0.00 -2.50 0.00 0.00 55.36 52.19 1k85 s GLN 571 Cb -0.16 -2.56 0.00 0.00 -1.64 0.00 0.00 33.01 28.65 1k85 s GLN 571 CO 0.14 -0.33 0.00 0.25 0.50 0.00 0.00 175.29 175.85 1k85 n THR 572 N 4.61 0.00 1.35 -0.34 -2.24 -0.08 -4.99 114.28 112.58 1k85 n THR 572 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 572 Cb 0.48 -0.98 0.44 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.12 0.00 4.28 -2.24 -1.26 -4.50 114.28 110.68 1k85 n THR 573 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1k85 n THR 573 Cb 0.00 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.25 0.00 -4.99 3.42 3.41 -1.26 -3.80 113.62 110.65 1k85 n SER 574 Ca 0.17 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.60 1k85 n SER 574 Cb 0.34 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -4.26 5.89 -0.16 4.04 1.04 -1.26 -2.84 113.70 116.15 1k85 s SER 575 Ca 0.00 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.99 1k85 s SER 575 Cb 0.00 -1.09 0.05 0.00 0.10 0.00 0.00 66.02 65.08 1k85 s SER 575 CO 0.00 -0.51 0.53 -0.51 0.98 0.00 0.00 173.24 173.73 1k85 s ILE 576 N -2.22 0.01 -0.30 -1.02 2.07 -0.69 -0.90 121.20 118.14 1k85 s ILE 576 Ca 0.47 -0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.59 1k85 s ILE 576 Cb -0.10 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.75 1k85 s ILE 576 CO 0.31 -0.03 0.08 -0.89 -1.91 0.00 0.00 174.94 172.50 1k85 s THR 577 N -0.12 3.83 -0.15 4.00 2.01 0.39 -2.54 115.64 123.06 1k85 s THR 577 Ca -0.03 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 1k85 s THR 577 Cb -0.03 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1k85 s THR 577 CO 0.02 0.02 0.08 -0.22 -0.69 0.00 0.00 174.62 173.83 1k85 s LEU 578 N 1.46 3.97 -0.04 4.42 2.96 -0.66 -1.50 118.68 129.28 1k85 s LEU 578 Ca 0.01 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1k85 s LEU 578 Cb -0.18 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1k85 s LEU 578 CO 0.02 0.27 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.63 1k85 s SER 579 N -0.18 1.77 0.22 3.68 0.15 -0.73 -1.30 113.70 117.31 1k85 s SER 579 Ca 0.08 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 1k85 s SER 579 Cb -0.12 -0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 63.59 1k85 s SER 579 CO 0.01 0.09 0.33 -1.66 1.20 0.00 0.00 173.24 173.22 1k85 s TRP 580 N 0.26 0.68 0.06 3.44 -2.14 -1.13 -0.04 118.94 120.07 1k85 s TRP 580 Ca -0.07 -0.99 -0.30 0.00 2.66 0.00 0.00 56.10 57.41 1k85 s TRP 580 Cb -0.12 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.09 1k85 s TRP 580 CO 0.02 -0.84 0.97 0.99 -2.66 0.00 0.00 176.95 175.43 1k85 s THR 581 N -4.07 4.68 0.81 0.66 2.01 -0.70 -4.89 115.64 114.14 1k85 s THR 581 Ca 0.29 2.07 -0.11 0.00 0.31 0.00 0.00 61.69 64.25 1k85 s THR 581 Cb 0.03 -4.32 0.08 0.00 0.01 0.00 0.00 72.50 68.29 1k85 s THR 581 CO 0.10 0.24 1.11 0.00 -0.69 0.00 0.00 174.62 175.38 1k85 s ALA 582 N 0.48 2.05 0.67 7.40 0.00 -1.26 -3.76 121.76 127.34 1k85 s ALA 582 Ca 0.49 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1k85 s ALA 582 Cb -0.22 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1k85 s ALA 582 CO 0.29 -2.03 1.06 -1.54 0.00 0.00 0.00 175.76 173.54 1k85 s SER 583 N -3.16 5.47 0.44 0.00 1.04 -1.26 -4.88 113.70 111.35 1k85 s SER 583 Ca 0.63 1.67 0.30 0.00 0.48 0.00 0.00 55.95 59.02 1k85 s SER 583 Cb -0.19 -2.50 1.24 0.00 0.10 0.00 0.00 66.02 64.67 1k85 s SER 583 CO 0.56 -1.38 1.89 0.74 0.98 0.00 0.00 173.24 176.02 1k85 h THR 584 N -0.44 0.00 -2.07 2.02 2.02 -1.95 -3.44 112.91 109.05 1k85 h THR 584 Ca -0.44 -0.39 -0.48 0.00 0.77 0.00 0.00 66.41 65.87 1k85 h THR 584 Cb 1.21 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1k85 h THR 584 CO 0.57 0.00 -0.46 -0.62 0.37 0.00 0.00 175.52 175.38 1k85 s ASP 585 N -5.10 5.77 0.00 4.18 2.15 -1.26 -4.99 116.67 117.41 1k85 s ASP 585 Ca 0.02 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1k85 s ASP 585 Cb 0.09 -1.42 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 1k85 s ASP 585 CO 0.48 -0.16 0.00 -0.46 -0.17 0.00 0.00 175.17 174.85 1k85 n ASN 586 N -1.35 0.00 0.00 -0.34 0.23 -1.26 -4.77 115.26 107.77 1k85 n ASN 586 Ca -0.06 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.10 1k85 n ASN 586 Cb 0.58 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.84 1k85 n ASN 586 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1k85 n VAL 587 N 0.00 0.32 0.00 3.53 0.31 -1.26 -3.89 118.33 117.34 1k85 n VAL 587 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1k85 n VAL 587 Cb 0.00 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.66 0.00 3.72 2.92 0.00 -1.26 -5.03 105.19 106.19 1k85 n GLY 588 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1k85 n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k85 n VAL 589 N -1.58 4.34 0.00 1.61 0.31 -1.25 -1.31 118.33 120.45 1k85 n VAL 589 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1k85 n VAL 589 Cb 0.22 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1k85 n VAL 589 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1k85 n THR 590 N -1.54 0.00 -3.73 2.52 5.66 -0.86 -4.77 114.28 111.55 1k85 n THR 590 Ca 0.13 -0.01 0.03 0.00 -3.05 0.00 0.00 64.05 61.15 1k85 n THR 590 Cb 0.46 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1k85 n THR 590 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k85 s GLY 591 N -0.63 -0.35 -0.07 1.09 0.00 -1.24 -4.74 107.32 101.38 1k85 s GLY 591 Ca 0.00 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.31 1k85 s GLY 591 CO 0.00 2.26 -0.14 -0.19 0.00 0.00 0.00 173.10 175.03 1k85 s TYR 592 N -2.15 1.56 -0.19 1.90 1.51 -0.02 -2.59 117.35 117.37 1k85 s TYR 592 Ca 0.20 -0.57 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 1k85 s TYR 592 Cb 0.04 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1k85 s TYR 592 CO -0.04 -0.28 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.60 1k85 s ASP 593 N 0.59 4.80 -0.14 2.29 1.01 -0.03 -1.38 116.67 123.80 1k85 s ASP 593 Ca -0.14 -0.18 -0.07 0.00 0.71 0.00 0.00 52.55 52.86 1k85 s ASP 593 Cb -0.16 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 1k85 s ASP 593 CO 0.04 0.10 0.13 0.54 0.21 0.00 0.00 175.17 176.19 1k85 s VAL 594 N 0.80 5.40 0.20 -1.27 0.11 -1.13 -0.77 120.40 123.74 1k85 s VAL 594 Ca -0.00 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1k85 s VAL 594 Cb -0.14 -3.38 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 1k85 s VAL 594 CO 0.02 0.57 0.26 -0.31 -3.33 0.00 0.00 175.10 172.31 1k85 s TYR 595 N -0.63 3.33 -0.29 1.54 2.02 0.73 -1.39 117.35 122.66 1k85 s TYR 595 Ca 0.13 -0.00 -0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1k85 s TYR 595 Cb -0.12 -1.55 0.10 0.00 -0.40 0.00 0.00 41.96 40.00 1k85 s TYR 595 CO 0.02 0.49 0.14 1.21 -1.57 0.00 0.00 175.55 175.85 1k85 s ASN 596 N -3.57 3.41 -0.79 2.29 3.04 0.35 -2.37 114.94 117.30 1k85 s ASN 596 Ca 0.33 -1.25 -0.01 0.00 0.04 0.00 0.00 52.86 51.97 1k85 s ASN 596 Cb -0.10 -0.30 -0.01 0.00 -1.54 0.00 0.00 41.25 39.31 1k85 s ASN 596 CO 0.27 -0.44 0.72 0.61 -3.04 0.00 0.00 177.10 175.22 1k85 n GLY 597 N 5.25 -1.23 3.02 1.21 0.00 -1.06 -2.60 105.19 109.78 1k85 n GLY 597 Ca -0.06 0.49 -0.17 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 -2.07 -0.67 -3.18 2.61 -2.24 -1.26 -4.89 114.28 102.57 1k85 n THR 598 Ca -0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1k85 n THR 598 Cb 0.53 -1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 67.30 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 -2.70 -2.10 0.23 6.98 0.00 -1.07 -5.14 121.76 117.95 1k85 s ALA 599 Ca 0.24 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.25 1k85 s ALA 599 Cb -0.13 -2.24 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 1k85 s ALA 599 CO 0.30 -1.53 1.01 -0.11 0.00 0.00 0.00 175.76 175.42 1k85 n LEU 600 N 5.41 1.27 0.00 0.00 7.94 -1.26 -0.49 117.00 129.86 1k85 n LEU 600 Ca 0.01 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 1k85 n LEU 600 Cb 0.52 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.26 1k85 n LEU 600 CO -0.00 -1.58 0.00 0.00 -1.11 0.00 0.00 177.39 174.70 1k85 n ALA 601 N 0.70 0.04 -2.04 1.96 0.00 -0.48 -4.70 120.51 115.99 1k85 n ALA 601 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1k85 n ALA 601 Cb 0.28 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 0.88 2.93 -0.03 0.00 -1.32 -1.25 -4.99 115.64 111.86 1k85 s THR 602 Ca 0.00 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1k85 s THR 602 Cb 0.00 -3.14 0.01 0.00 -1.51 0.00 0.00 72.50 67.86 1k85 s THR 602 CO 0.00 -0.12 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.33 1k85 s THR 603 N -2.86 0.68 0.38 5.08 2.01 -1.26 -2.83 115.64 116.83 1k85 s THR 603 Ca 0.56 -0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1k85 s THR 603 Cb -0.10 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1k85 s THR 603 CO 0.41 0.23 0.21 1.33 -0.69 0.00 0.00 174.62 176.10 1k85 n VAL 604 N 3.46 0.00 -0.25 3.82 0.24 -0.48 -4.93 118.33 120.19 1k85 n VAL 604 Ca -0.20 -2.44 0.00 0.00 -2.04 0.00 0.00 64.34 59.67 1k85 n VAL 604 Cb 0.54 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.81 0.00 0.00 3.34 -2.24 -1.26 -0.84 114.28 112.46 1k85 n THR 605 Ca -0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1k85 n THR 605 Cb 0.62 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 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 0.23 1.12 0.00 3.38 0.00 -1.26 -4.47 105.19 104.19 1k85 n GLY 606 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.44 -4.68 2.61 -2.24 -1.26 -4.65 114.28 104.50 1k85 n THR 607 Ca 0.00 -0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 1k85 n THR 607 Cb 0.00 0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.44 1.17 0.25 4.28 -4.23 -1.26 -2.82 115.64 112.58 1k85 s THR 608 Ca 0.00 -0.64 0.12 0.00 -1.18 0.00 0.00 61.69 59.99 1k85 s THR 608 Cb 0.00 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 1k85 s THR 608 CO 0.00 0.32 -0.21 0.00 -0.54 0.00 0.00 174.62 174.19 1k85 s ALA 609 N -0.36 2.68 -0.27 3.99 0.00 -0.42 -4.77 121.76 122.61 1k85 s ALA 609 Ca 0.06 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1k85 s ALA 609 Cb -0.06 -0.30 0.09 0.00 0.00 0.00 0.00 23.12 22.85 1k85 s ALA 609 CO -0.01 0.34 0.10 0.99 0.00 0.00 0.00 175.76 177.18 1k85 s THR 610 N -2.18 0.42 -0.27 0.00 2.01 -1.26 -1.65 115.64 112.71 1k85 s THR 610 Ca 0.27 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1k85 s THR 610 Cb -0.06 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 1k85 s THR 610 CO 0.13 -0.59 0.20 -0.63 -0.69 0.00 0.00 174.62 173.05 1k85 s ILE 611 N 1.86 5.31 0.48 1.82 1.01 -1.05 -4.75 121.20 125.89 1k85 s ILE 611 Ca 0.07 0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.99 1k85 s ILE 611 Cb -0.17 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1k85 s ILE 611 CO -0.25 0.26 0.32 -0.55 0.00 0.00 0.00 174.94 174.72 1k85 s SER 612 N 1.61 4.63 -0.66 3.58 0.15 -1.26 -1.71 113.70 120.03 1k85 s SER 612 Ca 0.08 -1.13 -0.03 0.00 0.70 0.00 0.00 55.95 55.56 1k85 s SER 612 Cb -0.15 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1k85 s SER 612 CO 0.10 -0.86 0.59 0.61 1.20 0.00 0.00 173.24 174.87 1k85 n GLY 613 N -1.56 -0.60 3.10 9.45 0.00 -1.16 -4.93 105.19 109.50 1k85 n GLY 613 Ca -0.02 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.33 2.10 0.30 0.99 1.43 -1.13 -5.07 118.68 112.97 1k85 s LEU 614 Ca 0.24 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 1k85 s LEU 614 Cb -0.03 -0.59 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 1k85 s LEU 614 CO 0.50 0.08 0.96 0.00 0.23 0.00 0.00 176.35 178.12 1k85 s ALA 615 N -0.59 3.25 0.65 4.21 0.00 -1.26 -4.11 121.76 123.90 1k85 s ALA 615 Ca 0.03 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1k85 s ALA 615 Cb -0.06 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1k85 s ALA 615 CO 0.00 0.13 1.04 0.00 0.00 0.00 0.00 175.76 176.94 1k85 s ALA 616 N -1.46 2.86 -1.29 0.00 0.00 -1.25 -4.08 121.76 116.54 1k85 s ALA 616 Ca 0.48 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 1k85 s ALA 616 Cb -0.22 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1k85 s ALA 616 CO 0.28 -0.94 0.78 -3.47 0.00 0.00 0.00 175.76 172.41 1k85 n ASP 617 N -2.81 -1.49 -3.92 0.00 2.03 -0.95 -4.94 116.55 104.47 1k85 n ASP 617 Ca 0.07 -0.77 -0.11 0.00 0.52 0.00 0.00 54.79 54.51 1k85 n ASP 617 Cb 0.54 -4.33 -0.13 0.00 -0.72 0.00 0.00 41.12 36.48 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 -3.58 0.05 -0.40 5.18 2.01 -1.26 -4.91 115.64 112.73 1k85 s THR 618 Ca 0.02 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.35 1k85 s THR 618 Cb -0.01 -0.13 0.02 0.00 0.01 0.00 0.00 72.50 72.39 1k85 s THR 618 CO 0.79 -0.23 0.90 -0.55 -0.69 0.00 0.00 174.62 174.84 1k85 s SER 619 N -0.67 6.59 -0.08 3.53 0.15 -1.26 -2.65 113.70 119.31 1k85 s SER 619 Ca -0.07 0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1k85 s SER 619 Cb -0.05 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1k85 s SER 619 CO -0.00 -0.90 -0.17 -0.31 1.20 0.00 0.00 173.24 173.05 1k85 s TYR 620 N 3.50 2.67 -0.18 3.44 2.02 -0.18 -5.00 117.35 123.62 1k85 s TYR 620 Ca 0.36 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1k85 s TYR 620 Cb -0.12 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1k85 s TYR 620 CO 0.21 -0.09 -0.06 0.99 -1.57 0.00 0.00 175.55 175.03 1k85 s THR 621 N -0.13 3.50 0.31 -0.71 2.01 -1.25 -1.47 115.64 117.89 1k85 s THR 621 Ca -0.02 -0.48 0.11 0.00 0.31 0.00 0.00 61.69 61.61 1k85 s THR 621 Cb -0.14 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1k85 s THR 621 CO 0.04 0.46 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.94 1k85 s PHE 622 N 0.88 2.39 -0.27 4.92 0.08 -0.99 -2.55 117.98 122.44 1k85 s PHE 622 Ca -0.01 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.42 1k85 s PHE 622 Cb -0.15 -1.19 0.07 0.00 -0.57 0.00 0.00 43.02 41.19 1k85 s PHE 622 CO 0.01 0.64 0.72 0.95 -0.10 0.00 0.00 175.22 177.44 1k85 s THR 623 N -2.53 0.00 0.09 0.64 -4.23 -1.00 -1.46 115.64 107.16 1k85 s THR 623 Ca 0.31 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1k85 s THR 623 Cb -0.02 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1k85 s THR 623 CO 0.16 0.00 0.21 0.68 -0.54 0.00 0.00 174.62 175.14 1k85 s VAL 624 N 0.56 5.25 0.01 2.29 -7.23 -1.26 -0.20 120.40 119.82 1k85 s VAL 624 Ca -0.01 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 1k85 s VAL 624 Cb -0.05 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 1k85 s VAL 624 CO -0.02 0.06 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.24 1k85 s LYS 625 N -2.73 0.39 -0.05 4.82 -0.14 0.05 -1.19 119.74 120.88 1k85 s LYS 625 Ca 0.34 -0.33 -0.04 0.00 -1.36 0.00 0.00 55.97 54.58 1k85 s LYS 625 Cb -0.12 -0.29 -0.04 0.00 -1.68 0.00 0.00 37.83 35.70 1k85 s LYS 625 CO 0.27 0.07 0.13 0.00 -0.76 0.00 0.00 175.35 175.06 1k85 s ALA 626 N -0.51 3.78 0.02 5.17 0.00 -1.26 -0.85 121.76 128.11 1k85 s ALA 626 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1k85 s ALA 626 Cb -0.04 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1k85 s ALA 626 CO -0.00 0.67 -0.04 -1.59 0.00 0.00 0.00 175.76 174.80 1k85 s LYS 627 N -1.47 0.36 0.49 0.00 0.00 -1.07 -1.70 119.74 116.34 1k85 s LYS 627 Ca 0.21 -0.63 0.06 0.00 0.00 0.00 0.00 55.97 55.61 1k85 s LYS 627 Cb -0.12 0.01 0.01 0.00 0.00 0.00 0.00 37.83 37.72 1k85 s LYS 627 CO 0.11 -0.02 0.34 0.16 0.00 0.00 0.00 175.35 175.94 1k85 s ASP 628 N -1.45 4.67 -0.17 0.03 -4.77 -0.91 -2.03 116.67 112.04 1k85 s ASP 628 Ca -0.14 -1.11 -0.03 0.00 -3.30 0.00 0.00 52.55 47.97 1k85 s ASP 628 Cb -0.10 0.02 -0.03 0.00 -1.09 0.00 0.00 42.92 41.72 1k85 s ASP 628 CO -0.01 -0.88 2.70 0.00 0.70 0.00 0.00 175.17 177.69 1k85 n ALA 629 N -1.60 5.55 -0.14 2.11 0.00 -0.42 -3.23 120.51 122.79 1k85 n ALA 629 Ca -0.01 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1k85 n ALA 629 Cb 0.64 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.44 0.00 0.00 0.00 0.00 -1.26 -5.04 120.51 115.65 1k85 n ALA 630 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1k85 n ALA 630 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 1.35 3.08 0.00 0.00 -1.20 -5.10 105.19 103.32 1k85 n GLY 631 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.53 -0.14 1.61 0.01 -1.26 -4.97 114.94 112.71 1k85 s ASN 632 Ca 0.00 -1.41 -0.03 0.00 -0.71 0.00 0.00 52.86 50.71 1k85 s ASN 632 Cb 0.00 -1.58 -0.03 0.00 0.41 0.00 0.00 41.25 40.05 1k85 s ASN 632 CO 0.00 -0.21 -0.04 0.68 -1.51 0.00 0.00 177.10 176.02 1k85 s VAL 633 N 1.12 3.90 0.00 1.60 -7.23 -1.26 -2.15 120.40 116.37 1k85 s VAL 633 Ca -0.08 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 1k85 s VAL 633 Cb -0.20 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1k85 s VAL 633 CO -0.04 0.51 0.00 -0.24 -0.31 0.00 0.00 175.10 175.01 1k85 n SER 634 N 3.35 -0.47 -4.40 4.85 2.88 -0.69 -4.83 113.62 114.32 1k85 n SER 634 Ca -0.17 -0.63 -0.29 0.00 -1.33 0.00 0.00 58.87 56.44 1k85 n SER 634 Cb 0.53 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.17 1k85 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k85 s ALA 635 N -3.46 1.29 0.03 -1.46 0.00 -1.26 -4.72 121.76 112.17 1k85 s ALA 635 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1k85 s ALA 635 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 1k85 s ALA 635 CO 0.00 -2.82 0.61 0.00 0.00 0.00 0.00 175.76 173.55 1k85 s ALA 636 N -3.20 3.50 1.17 0.00 0.00 -1.26 -4.53 121.76 117.44 1k85 s ALA 636 Ca 0.67 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1k85 s ALA 636 Cb -0.13 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.41 1k85 s ALA 636 CO 0.55 0.22 0.42 0.45 0.00 0.00 0.00 175.76 177.41 1k85 n SER 637 N 2.42 -2.38 -4.77 0.00 2.88 -0.33 -4.95 113.62 106.49 1k85 n SER 637 Ca -0.07 -0.55 -0.38 0.00 -1.33 0.00 0.00 58.87 56.53 1k85 n SER 637 Cb 0.51 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.62 6.74 -0.05 -3.46 3.04 -1.26 -4.74 114.94 112.59 1k85 s ASN 638 Ca 0.30 2.25 -0.30 0.00 0.04 0.00 0.00 52.86 55.16 1k85 s ASN 638 Cb -0.04 -2.61 -0.02 0.00 -1.54 0.00 0.00 41.25 37.04 1k85 s ASN 638 CO 0.25 -0.51 1.01 0.00 -3.04 0.00 0.00 177.10 174.80 1k85 s ALA 639 N -1.43 3.30 -0.30 1.71 0.00 -1.26 -4.51 121.76 119.27 1k85 s ALA 639 Ca 0.55 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 1k85 s ALA 639 Cb -0.29 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1k85 s ALA 639 CO 0.36 -0.44 0.14 0.54 0.00 0.00 0.00 175.76 176.37 1k85 s VAL 640 N 1.55 4.59 -1.18 0.00 0.11 -0.53 -4.90 120.40 120.03 1k85 s VAL 640 Ca 0.51 -0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 59.04 1k85 s VAL 640 Cb -0.20 -3.32 0.16 0.00 -1.53 0.00 0.00 36.38 31.50 1k85 s VAL 640 CO 0.23 0.10 1.40 -0.94 -3.33 0.00 0.00 175.10 172.56 1k85 s SER 641 N 1.62 7.01 -0.10 3.54 1.04 -1.26 -2.34 113.70 123.21 1k85 s SER 641 Ca 0.05 -2.87 -0.04 0.00 0.48 0.00 0.00 55.95 53.57 1k85 s SER 641 Cb -0.17 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1k85 s SER 641 CO 0.06 -0.79 0.06 0.54 0.98 0.00 0.00 173.24 174.09 1k85 s VAL 642 N 1.77 4.85 0.19 5.02 0.11 -0.54 -4.92 120.40 126.88 1k85 s VAL 642 Ca 0.42 -0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.51 1k85 s VAL 642 Cb -0.03 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 1k85 s VAL 642 CO -0.01 0.61 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.82 1k85 s LYS 643 N -0.91 2.35 0.00 1.54 1.02 -1.26 -1.01 119.74 121.47 1k85 s LYS 643 Ca 0.14 -1.17 0.10 0.00 0.02 0.00 0.00 55.97 55.06 1k85 s LYS 643 Cb -0.12 -2.31 0.08 0.00 -0.52 0.00 0.00 37.83 34.97 1k85 s LYS 643 CO 0.03 0.44 0.83 0.25 -0.92 0.00 0.00 175.35 175.97