#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 0.00 -1.73 1.57 2.81 -1.26 -5.08 117.12 113.43 1k85 n MET 558 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1k85 n MET 558 Cb 0.00 -0.20 0.01 0.00 -0.71 0.00 0.00 33.22 32.33 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 -3.39 1.60 -1.22 3.04 0.00 -1.26 -4.97 120.51 114.31 1k85 n ALA 559 Ca 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 1k85 n ALA 559 Cb 0.00 -2.32 0.18 0.00 0.00 0.00 0.00 19.45 17.31 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 -0.06 -2.22 -3.28 0.00 -0.04 -1.26 -5.01 135.00 123.12 1k85 n PRO 560 Ca 0.06 -1.41 -0.28 0.00 -0.04 0.00 0.00 63.50 61.83 1k85 n PRO 560 Cb 0.40 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.72 5.02 -0.09 0.52 -4.23 -1.26 -4.48 115.64 108.40 1k85 s THR 561 Ca 0.56 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.81 1k85 s THR 561 Cb -0.04 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.01 1k85 s THR 561 CO 0.42 -0.40 0.87 0.00 -0.54 0.00 0.00 174.62 174.96 1k85 s ALA 562 N -2.17 3.37 0.25 3.99 0.00 -1.26 -4.56 121.76 121.36 1k85 s ALA 562 Ca 0.44 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1k85 s ALA 562 Cb -0.10 -3.23 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 1k85 s ALA 562 CO 0.32 -0.41 0.99 -2.30 0.00 0.00 0.00 175.76 174.36 1k85 n PRO 563 N 4.52 1.14 -4.35 0.00 -0.02 -1.26 -4.93 135.00 130.10 1k85 n PRO 563 Ca 0.04 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 1k85 n PRO 563 Cb 0.50 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.81 1.45 -1.14 3.45 -4.23 -1.25 -4.07 115.64 109.04 1k85 s THR 564 Ca 0.63 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1k85 s THR 564 Cb -0.77 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1k85 s THR 564 CO 0.57 -0.49 0.94 -3.20 -0.54 0.00 0.00 174.62 171.91 1k85 n ASN 565 N -0.41 -3.98 -4.76 3.99 2.85 -1.26 -2.62 115.26 109.08 1k85 n ASN 565 Ca -0.07 -0.68 -0.31 0.00 -0.11 0.00 0.00 54.58 53.41 1k85 n ASN 565 Cb 0.62 -5.06 0.10 0.00 1.24 0.00 0.00 39.78 36.68 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 -5.98 2.91 0.33 1.20 2.96 -1.26 -4.19 118.68 114.65 1k85 s LEU 566 Ca 0.20 1.78 -0.18 0.00 -0.22 0.00 0.00 54.13 55.71 1k85 s LEU 566 Cb -0.03 -4.43 0.05 0.00 0.50 0.00 0.00 46.19 42.28 1k85 s LEU 566 CO 0.74 -2.14 0.80 0.00 -1.32 0.00 0.00 176.35 174.43 1k85 s ALA 567 N -2.91 -0.97 -0.06 5.97 0.00 0.57 -4.97 121.76 119.39 1k85 s ALA 567 Ca 0.62 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1k85 s ALA 567 Cb -0.17 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.70 1k85 s ALA 567 CO 0.56 -1.01 0.01 -1.54 0.00 0.00 0.00 175.76 173.78 1k85 s SER 568 N -3.05 1.24 0.00 0.00 1.04 -1.26 -2.02 113.70 109.64 1k85 s SER 568 Ca 0.15 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1k85 s SER 568 Cb -0.05 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1k85 s SER 568 CO 0.09 -0.17 0.00 0.35 0.98 0.00 0.00 173.24 174.49 1k85 n THR 569 N 4.87 0.00 -2.98 2.02 -2.24 -1.08 -4.99 114.28 109.88 1k85 n THR 569 Ca -0.12 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 1k85 n THR 569 Cb 0.50 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 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 -4.19 3.32 -0.22 6.98 0.00 -1.26 -4.96 121.76 121.44 1k85 s ALA 570 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 1k85 s ALA 570 Cb 0.00 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.22 1k85 s ALA 570 CO 0.00 -0.06 0.36 -1.14 0.00 0.00 0.00 175.76 174.92 1k85 s GLN 571 N 0.54 0.31 0.00 0.00 0.74 -1.26 0.01 119.66 120.00 1k85 s GLN 571 Ca 0.40 0.66 0.00 0.00 0.05 0.00 0.00 55.36 56.46 1k85 s GLN 571 Cb -0.19 -0.29 0.00 0.00 1.10 0.00 0.00 33.01 33.63 1k85 s GLN 571 CO 0.21 -0.50 0.00 0.25 -0.55 0.00 0.00 175.29 174.69 1k85 n THR 572 N 5.37 0.00 -0.75 -0.34 -2.24 -0.17 -4.98 114.28 111.17 1k85 n THR 572 Ca -0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1k85 n THR 572 Cb 0.50 -0.43 0.31 0.00 -2.10 0.00 0.00 70.33 68.61 1k85 n THR 572 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 573 N 0.00 2.58 0.00 4.28 -2.24 -1.26 -4.58 114.28 113.06 1k85 n THR 573 Ca 0.00 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1k85 n THR 573 Cb 0.00 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.19 0.00 -4.62 3.42 3.41 -1.26 -4.54 113.62 110.22 1k85 n SER 574 Ca 0.31 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.58 1k85 n SER 574 Cb 1.20 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 65.28 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 -1.65 5.26 0.15 4.04 1.04 -1.26 -3.39 113.70 117.88 1k85 s SER 575 Ca 0.00 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.57 1k85 s SER 575 Cb 0.00 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.33 1k85 s SER 575 CO 0.00 0.25 -0.20 -0.51 0.98 0.00 0.00 173.24 173.76 1k85 s ILE 576 N -0.09 1.86 -0.15 -1.02 2.07 -0.93 -0.99 121.20 121.94 1k85 s ILE 576 Ca 0.04 -1.80 0.01 0.00 -1.41 0.00 0.00 60.65 57.50 1k85 s ILE 576 Cb -0.13 -1.78 0.02 0.00 0.13 0.00 0.00 42.46 40.70 1k85 s ILE 576 CO 0.02 -0.19 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.80 1k85 s THR 577 N -1.68 1.74 0.07 4.00 2.01 0.10 -2.50 115.64 119.39 1k85 s THR 577 Ca 0.13 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1k85 s THR 577 Cb -0.08 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1k85 s THR 577 CO 0.06 0.49 0.07 -0.22 -0.69 0.00 0.00 174.62 174.33 1k85 s LEU 578 N 1.26 3.77 0.01 4.42 2.96 -0.74 -2.62 118.68 127.75 1k85 s LEU 578 Ca 0.01 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1k85 s LEU 578 Cb -0.14 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1k85 s LEU 578 CO -0.08 0.18 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.65 1k85 s SER 579 N -2.30 0.42 0.27 3.68 0.01 -0.86 -1.93 113.70 113.00 1k85 s SER 579 Ca 0.28 -0.23 -0.20 0.00 1.31 0.00 0.00 55.95 57.11 1k85 s SER 579 Cb -0.12 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1k85 s SER 579 CO 0.21 -0.07 0.68 -1.66 0.41 0.00 0.00 173.24 172.80 1k85 s TRP 580 N -0.58 -0.09 -0.03 2.43 -2.14 -1.24 -0.32 118.94 116.98 1k85 s TRP 580 Ca -0.04 -0.35 -0.30 0.00 2.66 0.00 0.00 56.10 58.07 1k85 s TRP 580 Cb -0.05 0.62 -0.03 0.00 -3.10 0.00 0.00 33.47 30.92 1k85 s TRP 580 CO -0.00 -1.20 0.99 0.99 -2.66 0.00 0.00 176.95 175.07 1k85 s THR 581 N -3.94 4.84 0.74 0.66 2.01 -1.08 -4.94 115.64 113.93 1k85 s THR 581 Ca 0.13 2.05 -0.14 0.00 0.31 0.00 0.00 61.69 64.04 1k85 s THR 581 Cb -0.05 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.19 1k85 s THR 581 CO 0.07 0.12 1.18 0.00 -0.69 0.00 0.00 174.62 175.30 1k85 s ALA 582 N 1.26 2.13 0.40 7.40 0.00 -1.26 -3.95 121.76 127.74 1k85 s ALA 582 Ca 0.51 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 1k85 s ALA 582 Cb -0.20 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1k85 s ALA 582 CO 0.26 -1.84 1.32 -1.12 0.00 0.00 0.00 175.76 174.38 1k85 s SER 583 N -2.26 6.30 0.46 0.00 0.01 -1.26 -4.88 113.70 112.07 1k85 s SER 583 Ca 0.72 2.70 0.32 0.00 1.31 0.00 0.00 55.95 60.99 1k85 s SER 583 Cb -0.26 -2.64 1.55 0.00 0.21 0.00 0.00 66.02 64.88 1k85 s SER 583 CO 0.46 -0.86 1.96 0.74 0.41 0.00 0.00 173.24 175.95 1k85 h THR 584 N 2.52 0.00 -3.77 1.44 2.02 -1.92 -3.42 112.91 109.77 1k85 h THR 584 Ca -0.50 -0.17 -0.68 0.00 0.77 0.00 0.00 66.41 65.84 1k85 h THR 584 Cb 1.25 0.97 -0.19 0.00 -1.74 0.00 0.00 68.15 68.43 1k85 h THR 584 CO 0.63 0.00 -0.74 -1.81 0.37 0.00 0.00 175.52 173.97 1k85 s ASP 585 N -4.79 4.32 -0.32 4.18 1.01 -1.26 -5.02 116.67 114.79 1k85 s ASP 585 Ca -0.01 -0.22 0.16 0.00 0.71 0.00 0.00 52.55 53.19 1k85 s ASP 585 Cb 0.09 -0.93 0.44 0.00 1.01 0.00 0.00 42.92 43.54 1k85 s ASP 585 CO 0.38 0.29 1.34 -0.46 0.21 0.00 0.00 175.17 176.93 1k85 n ASN 586 N 1.71 -0.39 0.11 0.27 0.23 -1.26 -4.79 115.26 111.13 1k85 n ASN 586 Ca -0.16 -2.25 0.12 0.00 -0.53 0.00 0.00 54.58 51.76 1k85 n ASN 586 Cb 0.52 0.29 0.14 0.00 -2.08 0.00 0.00 39.78 38.65 1k85 n ASN 586 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1k85 h VAL 587 N 4.05 0.00 0.00 3.53 2.07 -1.96 -3.40 116.25 120.53 1k85 h VAL 587 Ca -0.30 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1k85 h VAL 587 Cb 1.28 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1k85 h VAL 587 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1k85 n GLY 588 N 1.24 1.00 3.75 2.17 0.00 -1.26 -5.12 105.19 106.97 1k85 n GLY 588 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1k85 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k85 s VAL 589 N 0.00 2.54 0.02 1.61 1.01 -1.26 -2.74 120.40 121.58 1k85 s VAL 589 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1k85 s VAL 589 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1k85 s VAL 589 CO 0.00 -0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.39 1k85 n THR 590 N -1.50 0.15 -3.43 3.92 -2.24 -1.19 -4.90 114.28 105.08 1k85 n THR 590 Ca 0.13 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.94 1k85 n THR 590 Cb 0.49 -1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 2.74 2.41 3.68 3.38 0.00 -1.26 -4.72 105.19 111.42 1k85 n GLY 591 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 -6.02 2.03 -0.02 1.61 2.02 -0.12 -2.44 117.35 114.42 1k85 s TYR 592 Ca 0.05 -0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 55.83 1k85 s TYR 592 Cb -0.01 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1k85 s TYR 592 CO 0.03 0.22 0.03 -0.51 -1.57 0.00 0.00 175.55 173.75 1k85 s ASP 593 N -3.78 0.05 -0.23 2.29 1.11 0.43 -2.49 116.67 114.05 1k85 s ASP 593 Ca 0.17 0.05 -0.10 0.00 0.18 0.00 0.00 52.55 52.84 1k85 s ASP 593 Cb 0.04 -0.04 -0.05 0.00 1.07 0.00 0.00 42.92 43.94 1k85 s ASP 593 CO 0.09 -0.11 0.16 -0.69 1.18 0.00 0.00 175.17 175.80 1k85 s VAL 594 N 0.88 5.37 -0.20 -1.27 1.01 -1.08 0.08 120.40 125.18 1k85 s VAL 594 Ca -0.07 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1k85 s VAL 594 Cb -0.10 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1k85 s VAL 594 CO -0.03 0.37 0.13 -0.31 0.00 0.00 0.00 175.10 175.27 1k85 s TYR 595 N 0.89 3.40 -0.86 5.22 2.02 -0.99 -0.88 117.35 126.15 1k85 s TYR 595 Ca 0.08 0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 57.04 1k85 s TYR 595 Cb -0.13 -2.17 0.22 0.00 -0.40 0.00 0.00 41.96 39.48 1k85 s TYR 595 CO 0.03 0.27 0.77 1.21 -1.57 0.00 0.00 175.55 176.25 1k85 s ASN 596 N 0.43 6.26 0.00 2.29 2.47 -0.52 -2.10 114.94 123.77 1k85 s ASN 596 Ca 0.08 -3.28 0.00 0.00 0.42 0.00 0.00 52.86 50.08 1k85 s ASN 596 Cb -0.11 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1k85 s ASN 596 CO -0.01 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 1k85 n GLY 597 N 3.03 1.23 0.06 1.21 0.00 -0.82 -3.88 105.19 106.01 1k85 n GLY 597 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1k85 n GLY 597 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k85 n THR 598 N 0.00 0.00 -4.05 2.61 -2.24 -1.26 -5.05 114.28 104.29 1k85 n THR 598 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1k85 n THR 598 Cb 0.00 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 68.89 1k85 n THR 598 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 599 N 0.00 0.50 0.31 6.98 0.00 -1.25 -5.13 121.76 123.17 1k85 s ALA 599 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1k85 s ALA 599 Cb 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 23.09 1k85 s ALA 599 CO 0.00 -0.08 1.58 -1.17 0.00 0.00 0.00 175.76 176.09 1k85 s LEU 600 N -1.71 4.34 0.00 0.00 1.98 -1.26 -1.44 118.68 120.58 1k85 s LEU 600 Ca -0.09 2.98 0.00 0.00 -2.89 0.00 0.00 54.13 54.13 1k85 s LEU 600 Cb -0.08 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.13 1k85 s LEU 600 CO -0.01 -0.92 0.00 0.00 -1.89 0.00 0.00 176.35 173.54 1k85 n ALA 601 N 1.86 0.00 -1.97 5.97 0.00 -0.06 -4.77 120.51 121.53 1k85 n ALA 601 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 1k85 n ALA 601 Cb 0.38 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.95 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 1.18 2.14 -0.01 0.00 -1.32 -1.21 -4.95 115.64 111.47 1k85 s THR 602 Ca 0.00 -0.44 -0.01 0.00 -1.21 0.00 0.00 61.69 60.03 1k85 s THR 602 Cb 0.00 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1k85 s THR 602 CO 0.00 0.00 0.02 -0.89 -2.21 0.00 0.00 174.62 171.54 1k85 s THR 603 N -3.30 0.00 0.31 5.08 2.01 -1.26 -2.64 115.64 115.84 1k85 s THR 603 Ca 0.67 -0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.72 1k85 s THR 603 Cb -0.06 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1k85 s THR 603 CO 0.46 -0.00 0.26 0.68 -0.69 0.00 0.00 174.62 175.33 1k85 s VAL 604 N 0.01 0.00 0.00 3.82 -7.23 -1.04 -4.89 120.40 111.07 1k85 s VAL 604 Ca -0.00 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1k85 s VAL 604 Cb -0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1k85 s VAL 604 CO 0.00 0.00 0.13 0.35 -0.31 0.00 0.00 175.10 175.27 1k85 n THR 605 N -0.55 0.00 0.00 5.32 -2.24 -1.26 -0.95 114.28 114.60 1k85 n THR 605 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1k85 n THR 605 Cb 0.63 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 1k85 n THR 605 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k85 n GLY 606 N 0.00 1.80 0.20 3.38 0.00 -1.26 -4.63 105.19 104.68 1k85 n GLY 606 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 0.47 -4.49 2.61 -2.24 -1.26 -4.83 114.28 104.54 1k85 n THR 607 Ca 0.00 -0.74 -0.24 0.00 -2.27 0.00 0.00 64.05 60.80 1k85 n THR 607 Cb 0.00 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1k85 n THR 607 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k85 n THR 608 N 0.06 0.00 -3.67 4.28 -2.24 -1.26 -3.59 114.28 107.87 1k85 n THR 608 Ca 0.03 -2.24 -0.15 0.00 -2.27 0.00 0.00 64.05 59.42 1k85 n THR 608 Cb 0.20 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 1k85 n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k85 s ALA 609 N -3.03 -1.19 -0.11 6.98 0.00 -0.81 -4.73 121.76 118.87 1k85 s ALA 609 Ca 0.18 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1k85 s ALA 609 Cb 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1k85 s ALA 609 CO 0.13 -0.29 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 1k85 s THR 610 N -0.94 1.22 -0.18 0.00 2.01 -1.26 -1.79 115.64 114.71 1k85 s THR 610 Ca -0.10 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1k85 s THR 610 Cb -0.03 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.33 1k85 s THR 610 CO 0.05 0.39 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.59 1k85 s ILE 611 N 1.39 1.90 0.51 1.82 1.01 -1.04 -4.79 121.20 121.99 1k85 s ILE 611 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1k85 s ILE 611 Cb -0.13 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.58 1k85 s ILE 611 CO -0.06 0.40 0.61 -0.44 0.00 0.00 0.00 174.94 175.45 1k85 s SER 612 N 1.33 5.14 -0.55 3.58 0.01 -1.26 -2.20 113.70 119.75 1k85 s SER 612 Ca 0.03 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 1k85 s SER 612 Cb -0.14 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1k85 s SER 612 CO -0.11 -1.06 0.53 0.61 0.41 0.00 0.00 173.24 173.63 1k85 n GLY 613 N -1.96 -1.04 2.76 3.44 0.00 -1.22 -4.97 105.19 102.21 1k85 n GLY 613 Ca 0.09 0.36 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.44 0.64 0.37 0.99 1.43 -1.24 -5.09 118.68 112.34 1k85 s LEU 614 Ca 0.01 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 1k85 s LEU 614 Cb -0.00 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.80 1k85 s LEU 614 CO 0.58 -0.18 1.10 0.00 0.23 0.00 0.00 176.35 178.08 1k85 s ALA 615 N 1.77 3.18 0.74 4.21 0.00 -1.26 -4.17 121.76 126.23 1k85 s ALA 615 Ca 0.01 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1k85 s ALA 615 Cb -0.13 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1k85 s ALA 615 CO -0.04 -0.31 1.07 0.00 0.00 0.00 0.00 175.76 176.49 1k85 s ALA 616 N -1.46 2.49 -1.39 0.00 0.00 -1.26 -3.97 121.76 116.17 1k85 s ALA 616 Ca 0.54 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1k85 s ALA 616 Cb -0.27 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1k85 s ALA 616 CO 0.35 -1.45 0.94 -3.47 0.00 0.00 0.00 175.76 172.13 1k85 n ASP 617 N -3.27 -3.69 -4.00 0.00 2.03 -0.46 -4.97 116.55 102.18 1k85 n ASP 617 Ca 0.08 -0.72 -0.09 0.00 0.52 0.00 0.00 54.79 54.58 1k85 n ASP 617 Cb 0.54 -4.34 -0.11 0.00 -0.72 0.00 0.00 41.12 36.50 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 -3.42 0.14 -0.03 5.18 2.01 -1.25 -4.99 115.64 113.27 1k85 s THR 618 Ca 0.37 -1.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.04 1k85 s THR 618 Cb -0.18 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1k85 s THR 618 CO 0.79 -0.62 0.58 -0.55 -0.69 0.00 0.00 174.62 174.13 1k85 s SER 619 N -1.81 6.93 -0.05 3.53 0.15 -1.26 -2.54 113.70 118.65 1k85 s SER 619 Ca -0.10 1.11 -0.01 0.00 0.70 0.00 0.00 55.95 57.64 1k85 s SER 619 Cb -0.06 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1k85 s SER 619 CO -0.03 0.08 0.02 -0.31 1.20 0.00 0.00 173.24 174.20 1k85 s TYR 620 N -0.02 0.35 -0.23 3.44 2.02 -0.87 -5.03 117.35 117.01 1k85 s TYR 620 Ca 0.31 0.03 -0.09 0.00 -0.37 0.00 0.00 57.07 56.95 1k85 s TYR 620 Cb -0.18 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 1k85 s TYR 620 CO 0.16 -0.22 0.11 0.95 -1.57 0.00 0.00 175.55 174.97 1k85 s THR 621 N 1.77 4.84 0.31 -0.71 -4.23 -1.26 -1.80 115.64 114.56 1k85 s THR 621 Ca 0.01 -0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1k85 s THR 621 Cb -0.13 -3.24 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 1k85 s THR 621 CO -0.03 0.36 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.92 1k85 s PHE 622 N 1.13 2.38 0.38 3.99 0.08 -1.08 -1.95 117.98 122.91 1k85 s PHE 622 Ca 0.05 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1k85 s PHE 622 Cb -0.14 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.15 1k85 s PHE 622 CO 0.04 0.64 0.68 0.95 -0.10 0.00 0.00 175.22 177.43 1k85 s THR 623 N -2.54 0.00 0.02 0.64 -4.23 -0.89 -1.85 115.64 106.79 1k85 s THR 623 Ca 0.31 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1k85 s THR 623 Cb -0.02 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1k85 s THR 623 CO 0.16 0.00 -0.04 0.68 -0.54 0.00 0.00 174.62 174.88 1k85 s VAL 624 N -2.47 0.24 -0.05 2.29 -7.23 -1.26 -2.35 120.40 109.57 1k85 s VAL 624 Ca 0.22 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1k85 s VAL 624 Cb -0.03 -0.32 0.04 0.00 0.56 0.00 0.00 36.38 36.62 1k85 s VAL 624 CO 0.16 -0.32 0.09 -0.54 -0.31 0.00 0.00 175.10 174.17 1k85 s LYS 625 N -1.10 -0.05 0.20 4.82 -0.14 0.11 -2.01 119.74 121.57 1k85 s LYS 625 Ca -0.10 0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 54.64 1k85 s LYS 625 Cb -0.07 -0.43 -0.08 0.00 -1.68 0.00 0.00 37.83 35.56 1k85 s LYS 625 CO -0.00 -0.32 0.94 0.00 -0.76 0.00 0.00 175.35 175.21 1k85 s ALA 626 N 2.18 3.32 0.25 5.17 0.00 -1.26 -0.43 121.76 130.99 1k85 s ALA 626 Ca 0.04 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.68 1k85 s ALA 626 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1k85 s ALA 626 CO -0.04 0.14 -0.12 -1.59 0.00 0.00 0.00 175.76 174.15 1k85 s LYS 627 N -0.84 1.49 0.18 0.00 0.00 -1.02 -0.99 119.74 118.56 1k85 s LYS 627 Ca 0.43 -1.71 0.09 0.00 0.00 0.00 0.00 55.97 54.78 1k85 s LYS 627 Cb -0.25 -1.28 -0.04 0.00 0.00 0.00 0.00 37.83 36.26 1k85 s LYS 627 CO 0.31 0.16 -0.20 0.34 0.00 0.00 0.00 175.35 175.96 1k85 s ASP 628 N -3.41 2.89 -0.43 0.03 -1.08 0.47 -3.20 116.67 111.94 1k85 s ASP 628 Ca 0.27 -0.87 -0.05 0.00 -0.52 0.00 0.00 52.55 51.37 1k85 s ASP 628 Cb 0.00 -0.19 -0.08 0.00 -1.46 0.00 0.00 42.92 41.19 1k85 s ASP 628 CO 0.10 0.00 3.11 0.00 0.52 0.00 0.00 175.17 178.91 1k85 n ALA 629 N 0.23 6.55 -1.99 3.66 0.00 -1.11 -3.30 120.51 124.55 1k85 n ALA 629 Ca -0.13 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1k85 n ALA 629 Cb 0.57 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 1.84 0.32 -0.91 0.00 0.00 -1.26 -5.02 120.51 115.48 1k85 n ALA 630 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1k85 n ALA 630 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.84 2.80 0.00 0.00 -1.21 -5.10 105.19 102.52 1k85 n GLY 631 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.21 1.77 0.10 1.61 -0.87 -1.26 -5.02 114.94 109.07 1k85 s ASN 632 Ca 0.00 -0.17 0.10 0.00 -1.57 0.00 0.00 52.86 51.22 1k85 s ASN 632 Cb 0.00 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.25 40.67 1k85 s ASN 632 CO 0.00 -0.19 -0.25 0.54 -2.57 0.00 0.00 177.10 174.63 1k85 s VAL 633 N 1.91 2.32 0.00 1.60 0.11 -1.26 -0.39 120.40 124.69 1k85 s VAL 633 Ca 0.05 -1.61 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 1k85 s VAL 633 Cb -0.13 -2.00 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1k85 s VAL 633 CO -0.06 0.17 0.00 -1.54 -3.33 0.00 0.00 175.10 170.35 1k85 n SER 634 N 1.15 0.00 -4.68 3.54 3.41 -0.16 -4.83 113.62 112.05 1k85 n SER 634 Ca -0.17 -0.59 -0.24 0.00 -0.26 0.00 0.00 58.87 57.60 1k85 n SER 634 Cb 0.53 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.98 3.53 0.19 7.33 0.00 -1.26 -4.78 121.76 123.79 1k85 s ALA 635 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 1k85 s ALA 635 Cb 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.90 1k85 s ALA 635 CO 0.00 -1.46 0.57 0.00 0.00 0.00 0.00 175.76 174.87 1k85 s ALA 636 N -3.18 3.55 0.96 0.00 0.00 -1.26 -4.46 121.76 117.36 1k85 s ALA 636 Ca 0.65 -0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1k85 s ALA 636 Cb -0.06 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.62 1k85 s ALA 636 CO 0.44 0.46 0.53 -1.13 0.00 0.00 0.00 175.76 176.07 1k85 n SER 637 N 0.44 0.09 -4.76 0.00 3.41 -0.85 -4.93 113.62 107.02 1k85 n SER 637 Ca -0.03 -1.22 -0.37 0.00 -0.26 0.00 0.00 58.87 56.99 1k85 n SER 637 Cb 0.52 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1k85 n SER 637 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1k85 s ASN 638 N -2.97 5.88 -0.16 4.04 2.47 -1.26 -4.73 114.94 118.22 1k85 s ASN 638 Ca 0.31 2.43 -0.29 0.00 0.42 0.00 0.00 52.86 55.72 1k85 s ASN 638 Cb -0.01 -2.61 -0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1k85 s ASN 638 CO 0.21 -1.13 1.02 0.00 -3.72 0.00 0.00 177.10 173.49 1k85 s ALA 639 N -1.49 3.52 -0.44 1.71 0.00 -1.26 -4.60 121.76 119.20 1k85 s ALA 639 Ca 0.66 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1k85 s ALA 639 Cb -0.32 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.37 1k85 s ALA 639 CO 0.38 -0.79 0.35 0.14 0.00 0.00 0.00 175.76 175.83 1k85 s VAL 640 N 2.51 5.12 -0.84 0.00 -7.23 -0.77 -4.91 120.40 114.28 1k85 s VAL 640 Ca 0.47 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 59.45 1k85 s VAL 640 Cb -0.17 -3.99 0.06 0.00 0.56 0.00 0.00 36.38 32.84 1k85 s VAL 640 CO 0.13 -0.47 1.23 -0.55 -0.31 0.00 0.00 175.10 175.13 1k85 s SER 641 N 2.23 6.36 -0.12 4.85 0.15 -1.26 -2.64 113.70 123.27 1k85 s SER 641 Ca 0.04 -1.18 -0.03 0.00 0.70 0.00 0.00 55.95 55.48 1k85 s SER 641 Cb -0.22 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1k85 s SER 641 CO 0.07 -1.51 0.01 0.68 1.20 0.00 0.00 173.24 173.70 1k85 s VAL 642 N 4.57 4.38 -0.33 4.45 -7.23 -0.74 -4.95 120.40 120.55 1k85 s VAL 642 Ca 0.35 -0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1k85 s VAL 642 Cb -0.07 -2.88 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 1k85 s VAL 642 CO 0.02 0.56 0.18 -0.54 -0.31 0.00 0.00 175.10 175.01 1k85 s LYS 643 N -0.44 3.28 0.00 4.82 1.02 -1.26 -2.04 119.74 125.11 1k85 s LYS 643 Ca 0.08 -0.77 0.32 0.00 0.02 0.00 0.00 55.97 55.62 1k85 s LYS 643 Cb -0.12 -3.65 1.84 0.00 -0.52 0.00 0.00 37.83 35.37 1k85 s LYS 643 CO 0.02 -0.48 2.19 0.25 -0.92 0.00 0.00 175.35 176.41