#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkv n ILE 575 N 0.00 0.00 -1.69 -0.61 5.41 -1.26 -4.56 119.36 116.65 2qkv n ILE 575 Ca 0.00 0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.23 2qkv n ILE 575 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 2qkv n ILE 575 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2qkv n PRO 576 N -0.76 1.74 -3.66 0.38 -0.04 -1.26 -4.95 135.00 126.47 2qkv n PRO 576 Ca 0.00 0.64 -0.06 0.00 -0.04 0.00 0.00 63.50 64.04 2qkv n PRO 576 Cb 0.00 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 30.98 2qkv n PRO 576 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2qkv s ARG 577 N 3.67 0.54 0.19 0.54 3.52 -1.26 -5.17 118.95 120.97 2qkv s ARG 577 Ca 0.94 1.21 -0.05 0.00 -0.13 0.00 0.00 55.73 57.70 2qkv s ARG 577 Cb -0.85 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 2qkv s ARG 577 CO 0.57 -0.19 0.21 1.21 -0.81 0.00 0.00 175.30 176.29 2qkv s ASN 578 N 2.22 0.11 0.00 -2.12 3.04 -1.26 -5.12 114.94 111.82 2qkv s ASN 578 Ca -0.07 -1.16 0.00 0.00 0.04 0.00 0.00 52.86 51.67 2qkv s ASN 578 Cb -0.09 0.41 0.00 0.00 -1.54 0.00 0.00 41.25 40.03 2qkv s ASN 578 CO -0.17 -0.89 0.00 -1.54 -3.04 0.00 0.00 177.10 171.46 2qkv n SER 579 N -0.25 0.00 -1.15 -4.21 3.41 -1.26 -4.98 113.62 105.19 2qkv n SER 579 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2qkv n SER 579 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2qkv n SER 579 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qkv n LEU 580 N -0.28 -1.53 -4.77 1.04 4.77 -1.26 -4.95 117.00 110.01 2qkv n LEU 580 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2qkv n LEU 580 Cb 0.00 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 2qkv n LEU 580 CO 0.00 0.00 1.01 -0.70 -1.33 0.00 0.00 177.39 176.37 2qkv s GLU 581 N -0.19 4.24 0.26 3.23 2.12 -1.26 -5.00 118.70 122.10 2qkv s GLU 581 Ca 0.00 2.28 0.10 0.00 0.36 0.00 0.00 54.97 57.71 2qkv s GLU 581 Cb 0.00 -3.00 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 2qkv s GLU 581 CO 0.00 -0.31 -0.09 0.15 -0.54 0.00 0.00 175.26 174.47 2qkv s LYS 582 N -1.93 2.02 0.04 4.30 -0.14 -1.26 -4.32 119.74 118.45 2qkv s LYS 582 Ca 0.51 -1.53 -0.03 0.00 -1.36 0.00 0.00 55.97 53.56 2qkv s LYS 582 Cb -0.41 -2.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 2qkv s LYS 582 CO 0.54 0.36 0.04 -0.59 -0.76 0.00 0.00 175.35 174.95 2qkv s PHE 583 N -2.29 0.28 0.09 3.18 -0.12 0.08 -4.93 117.98 114.26 2qkv s PHE 583 Ca 0.30 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 2qkv s PHE 583 Cb -0.06 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 2qkv s PHE 583 CO 0.17 -0.33 0.21 -0.80 -0.05 0.00 0.00 175.22 174.43 2qkv s ASN 584 N -2.13 6.23 -0.27 1.98 -0.87 -1.26 -0.71 114.94 117.92 2qkv s ASN 584 Ca -0.05 0.20 -0.03 0.00 -1.57 0.00 0.00 52.86 51.41 2qkv s ASN 584 Cb -0.01 -1.88 0.09 0.00 -0.02 0.00 0.00 41.25 39.43 2qkv s ASN 584 CO -0.05 0.13 0.10 -0.69 -2.57 0.00 0.00 177.10 174.03 2qkv s VAL 585 N -1.57 0.28 -0.13 1.60 1.01 -0.15 -4.98 120.40 116.45 2qkv s VAL 585 Ca 0.34 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2qkv s VAL 585 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2qkv s VAL 585 CO 0.27 -0.58 -0.05 -1.81 0.00 0.00 0.00 175.10 172.93 2qkv s ASP 586 N 1.94 4.68 0.19 3.32 1.11 -1.26 -1.22 116.67 125.43 2qkv s ASP 586 Ca 0.07 -0.13 -0.03 0.00 0.18 0.00 0.00 52.55 52.64 2qkv s ASP 586 Cb -0.16 -1.64 -0.03 0.00 1.07 0.00 0.00 42.92 42.15 2qkv s ASP 586 CO -0.26 0.21 0.18 -1.48 1.18 0.00 0.00 175.17 175.00 2qkv s LEU 587 N 0.12 1.12 -0.31 1.23 0.05 0.42 -4.72 118.68 116.59 2qkv s LEU 587 Ca -0.02 -1.26 -0.08 0.00 0.05 0.00 0.00 54.13 52.82 2qkv s LEU 587 Cb -0.14 0.62 0.00 0.00 -2.05 0.00 0.00 46.19 44.63 2qkv s LEU 587 CO 0.03 -0.87 0.12 -0.32 -0.55 0.00 0.00 176.35 174.76 2qkv s MET 588 N -4.11 3.21 -1.23 1.48 1.75 -1.26 -0.65 119.30 118.49 2qkv s MET 588 Ca 0.33 -0.79 -0.17 0.00 -1.25 0.00 0.00 55.69 53.80 2qkv s MET 588 Cb 0.06 -3.48 -0.02 0.00 2.84 0.00 0.00 34.83 34.22 2qkv s MET 588 CO 0.09 -0.44 2.05 1.17 -0.65 0.00 0.00 175.02 177.25 2qkv n LYS 589 N 4.93 2.44 -2.41 4.11 3.00 0.12 -4.92 118.16 125.43 2qkv n LYS 589 Ca -0.14 -2.48 -0.40 0.00 -0.00 0.00 0.00 58.31 55.29 2qkv n LYS 589 Cb 0.48 -3.25 -0.03 0.00 0.00 0.00 0.00 35.03 32.24 2qkv n LYS 589 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2qkv s LYS 590 N 4.08 3.06 0.08 1.64 1.02 -1.26 -3.74 119.74 124.63 2qkv s LYS 590 Ca 0.52 0.05 -0.12 0.00 0.02 0.00 0.00 55.97 56.44 2qkv s LYS 590 Cb 0.12 -4.22 -0.07 0.00 -0.52 0.00 0.00 37.83 33.13 2qkv s LYS 590 CO 0.01 -2.27 0.23 0.00 -0.92 0.00 0.00 175.35 172.40 2qkv n ALA 591 N 10.23 -1.80 0.00 5.17 0.00 -1.26 -3.96 120.51 128.90 2qkv n ALA 591 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2qkv n ALA 591 Cb 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2qkv n ALA 591 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkv n GLY 592 N 0.84 1.28 2.77 0.00 0.00 -1.26 -5.10 105.19 103.72 2qkv n GLY 592 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2qkv n GLY 592 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkv s LYS 593 N -0.20 -0.02 0.18 1.61 0.00 -1.25 -5.10 119.74 114.96 2qkv s LYS 593 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 55.97 56.02 2qkv s LYS 593 Cb 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 37.83 37.43 2qkv s LYS 593 CO 0.00 -0.25 0.99 -1.21 0.00 0.00 0.00 175.35 174.88 2qkv s GLU 594 N 1.67 4.73 0.45 1.78 2.02 -1.26 -4.85 118.70 123.24 2qkv s GLU 594 Ca -0.02 1.54 0.26 0.00 0.02 0.00 0.00 54.97 56.77 2qkv s GLU 594 Cb -0.12 -3.31 1.44 0.00 0.10 0.00 0.00 34.13 32.24 2qkv s GLU 594 CO -0.04 0.30 1.79 -0.07 0.02 0.00 0.00 175.26 177.26 2qkv h LEU 595 N 4.85 0.00 0.00 1.80 3.38 -1.99 -3.45 115.31 119.91 2qkv h LEU 595 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2qkv h LEU 595 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qkv h LEU 595 CO 0.70 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2qkv n GLY 596 N -1.23 1.52 3.68 0.83 0.00 -1.26 -4.78 105.19 103.96 2qkv n GLY 596 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2qkv n GLY 596 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkv s LEU 597 N 0.00 4.23 -0.20 0.99 1.43 -1.26 -3.70 118.68 120.16 2qkv s LEU 597 Ca 0.00 1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 2qkv s LEU 597 Cb 0.00 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 2qkv s LEU 597 CO 0.00 -0.45 0.12 -0.55 0.23 0.00 0.00 176.35 175.70 2qkv s SER 598 N 1.11 6.15 0.23 2.29 0.15 -0.52 -4.94 113.70 118.17 2qkv s SER 598 Ca 0.46 0.21 0.09 0.00 0.70 0.00 0.00 55.95 57.41 2qkv s SER 598 Cb -0.18 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2qkv s SER 598 CO 0.16 0.17 -0.01 -0.76 1.20 0.00 0.00 173.24 174.01 2qkv s LEU 599 N 0.39 3.21 -0.06 3.45 1.43 -1.26 0.17 118.68 126.01 2qkv s LEU 599 Ca 0.08 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2qkv s LEU 599 Cb -0.11 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.35 2qkv s LEU 599 CO -0.02 0.04 0.05 -0.55 0.23 0.00 0.00 176.35 176.10 2qkv s SER 600 N -3.38 1.33 0.13 2.29 0.15 0.16 -4.78 113.70 109.61 2qkv s SER 600 Ca 0.29 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.64 2qkv s SER 600 Cb -0.07 -0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 63.95 2qkv s SER 600 CO 0.19 -0.24 1.00 -2.16 1.20 0.00 0.00 173.24 173.22 2qkv s PRO 601 N 2.12 4.68 0.29 5.44 0.04 -1.26 0.14 135.00 146.45 2qkv s PRO 601 Ca 0.05 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 2qkv s PRO 601 Cb -0.12 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2qkv s PRO 601 CO -0.04 0.18 0.34 0.54 0.04 0.00 0.00 177.00 178.06 2qkv s ASN 602 N -0.04 0.78 0.54 6.66 4.22 -0.47 -4.93 114.94 121.70 2qkv s ASN 602 Ca 0.48 -1.45 0.23 0.00 -2.14 0.00 0.00 52.86 49.98 2qkv s ASN 602 Cb -0.25 0.55 1.44 0.00 1.28 0.00 0.00 41.25 44.27 2qkv s ASN 602 CO 0.31 -1.10 2.08 -0.08 -2.04 0.00 0.00 177.10 176.27 2qkv h GLU 603 N 2.26 0.00 0.00 3.55 4.57 -1.95 -2.87 114.58 120.14 2qkv h GLU 603 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2qkv h GLU 603 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2qkv h GLU 603 CO 0.41 0.00 -1.24 0.44 -1.18 0.00 0.00 179.01 177.44 2qkv n ILE 604 N -4.26 0.00 -1.45 2.32 -5.35 -1.26 -1.17 119.36 108.19 2qkv n ILE 604 Ca 0.03 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2qkv n ILE 604 Cb 0.35 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 2qkv n ILE 604 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qkv n GLY 605 N 1.44 -0.56 3.35 3.28 0.00 -1.08 -3.61 105.19 108.00 2qkv n GLY 605 Ca 0.02 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2qkv n GLY 605 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkv s THR 607 N 1.41 4.01 -0.31 0.00 2.01 0.38 -0.96 115.64 122.18 2qkv s THR 607 Ca 0.05 1.79 -0.27 0.00 0.31 0.00 0.00 61.69 63.57 2qkv s THR 607 Cb -0.14 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2qkv s THR 607 CO -0.01 0.33 0.95 -0.63 -0.69 0.00 0.00 174.62 174.57 2qkv s ILE 608 N -0.45 4.63 -0.12 1.82 1.01 0.21 0.39 121.20 128.70 2qkv s ILE 608 Ca 0.47 1.51 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 2qkv s ILE 608 Cb -0.28 -4.30 -0.26 0.00 0.01 0.00 0.00 42.46 37.63 2qkv s ILE 608 CO 0.34 -0.38 0.47 0.00 0.00 0.00 0.00 174.94 175.37 2qkv h ALA 609 N 8.09 0.26 -3.09 9.38 0.00 0.14 0.92 119.26 134.96 2qkv h ALA 609 Ca -0.22 -1.19 -0.20 0.00 0.00 0.00 0.00 54.91 53.30 2qkv h ALA 609 Cb 1.07 0.58 -0.22 0.00 0.00 0.00 0.00 17.79 19.22 2qkv h ALA 609 CO 0.97 0.95 -0.71 0.34 0.00 0.00 0.00 179.25 180.81 2qkv s ASP 610 N -7.03 0.34 -0.38 0.00 -1.08 -1.20 -4.79 116.67 102.54 2qkv s ASP 610 Ca -0.22 -0.46 0.10 0.00 -0.52 0.00 0.00 52.55 51.45 2qkv s ASP 610 Cb 0.05 0.08 0.31 0.00 -1.46 0.00 0.00 42.92 41.90 2qkv s ASP 610 CO 0.75 -0.25 0.67 0.18 0.52 0.00 0.00 175.17 177.03 2qkv n LEU 611 N 1.71 0.35 -4.47 -1.34 4.77 -1.26 -1.44 117.00 115.32 2qkv n LEU 611 Ca -0.23 -4.79 -0.44 0.00 -0.03 0.00 0.00 56.01 50.52 2qkv n LEU 611 Cb 0.55 0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 42.24 2qkv n LEU 611 CO 0.21 2.19 2.05 -0.38 -1.33 0.00 0.00 177.39 180.12 2qkv n ILE 612 N 0.77 0.01 -0.34 -0.08 5.41 -1.24 -3.89 119.36 120.00 2qkv n ILE 612 Ca 0.22 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2qkv n ILE 612 Cb 0.61 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 2qkv n ILE 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qkv n GLN 613 N 8.43 0.00 -0.68 0.38 1.13 -1.26 -4.70 117.38 120.68 2qkv n GLN 613 Ca 0.54 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 55.34 2qkv n GLN 613 Cb 0.17 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.54 2qkv n GLN 613 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qkv n GLY 614 N -0.00 -2.03 1.84 1.08 0.00 -1.25 -4.94 105.19 99.89 2qkv n GLY 614 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2qkv n GLY 614 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qkv n GLN 615 N 1.71 2.40 -3.63 1.61 3.00 -1.26 -4.82 117.38 116.39 2qkv n GLN 615 Ca -0.01 -3.62 -0.09 0.00 -0.01 0.00 0.00 57.00 53.27 2qkv n GLN 615 Cb 0.51 -1.76 -0.10 0.00 0.00 0.00 0.00 30.24 28.90 2qkv n GLN 615 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2qkv s TYR 616 N -3.20 -0.77 0.54 1.08 1.51 -1.26 -5.01 117.35 110.23 2qkv s TYR 616 Ca 0.41 1.41 0.42 0.00 -1.01 0.00 0.00 57.07 58.31 2qkv s TYR 616 Cb 0.38 0.25 1.62 0.00 -0.11 0.00 0.00 41.96 44.10 2qkv s TYR 616 CO -0.02 -0.50 1.69 -1.00 -1.11 0.00 0.00 175.55 174.61 2qkv h PRO 617 N 8.18 0.01 0.55 -1.71 0.13 -1.94 0.25 132.00 137.47 2qkv h PRO 617 Ca -0.16 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 2qkv h PRO 617 Cb 1.11 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2qkv h PRO 617 CO 0.14 0.01 -0.27 0.93 -0.23 0.00 0.00 178.00 178.58 2qkv h GLU 618 N 0.02 -0.72 -0.18 0.86 4.39 -1.95 -1.58 114.58 115.42 2qkv h GLU 618 Ca 0.75 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.48 2qkv h GLU 618 Cb 2.96 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 31.77 2qkv h GLU 618 CO -0.04 -0.42 0.03 0.82 -1.16 0.00 0.00 179.01 178.24 2qkv h ILE 619 N -0.91 1.22 -0.85 3.13 2.04 -0.93 -1.06 117.51 120.15 2qkv h ILE 619 Ca -0.08 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2qkv h ILE 619 Cb 0.63 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2qkv h ILE 619 CO 0.12 0.22 0.48 0.44 0.00 0.00 0.00 178.15 179.42 2qkv h ASP 620 N 0.09 1.05 -0.50 1.72 5.19 -1.28 -0.63 116.42 122.07 2qkv h ASP 620 Ca 0.06 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2qkv h ASP 620 Cb 0.31 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2qkv h ASP 620 CO 0.00 0.84 0.00 -1.54 -3.12 0.00 0.00 179.24 175.42 2qkv n SER 621 N -4.39 3.61 0.00 6.45 3.41 -0.59 -4.60 113.62 117.51 2qkv n SER 621 Ca 0.09 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2qkv n SER 621 Cb 0.08 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2qkv n SER 621 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qkv n LYS 622 N 1.52 2.15 -4.00 4.33 5.02 -0.40 -5.03 118.16 121.74 2qkv n LYS 622 Ca 0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.19 2qkv n LYS 622 Cb 0.61 -0.67 -0.05 0.00 -0.02 0.00 0.00 35.03 34.89 2qkv n LYS 622 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qkv s LEU 623 N -1.71 4.01 0.06 -0.35 1.43 -0.25 -5.03 118.68 116.83 2qkv s LEU 623 Ca 0.00 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 2qkv s LEU 623 Cb 0.00 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2qkv s LEU 623 CO 0.00 0.16 0.21 0.00 0.23 0.00 0.00 176.35 176.95 2qkv s GLN 624 N -2.49 0.76 0.21 1.70 -2.07 -1.26 -4.82 119.66 111.69 2qkv s GLN 624 Ca 0.31 -0.71 -0.32 0.00 -1.82 0.00 0.00 55.36 52.82 2qkv s GLN 624 Cb -0.12 0.31 -0.14 0.00 -1.09 0.00 0.00 33.01 31.97 2qkv s GLN 624 CO 0.24 -0.23 1.39 0.54 -1.32 0.00 0.00 175.29 175.91 2qkv n ARG 625 N 0.44 1.86 0.00 9.60 1.74 -1.26 -1.59 116.66 127.46 2qkv n ARG 625 Ca -0.18 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 2qkv n ARG 625 Cb 0.60 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2qkv n ARG 625 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkv n GLY 626 N 2.35 2.74 3.76 -0.13 0.00 0.32 -5.00 105.19 109.22 2qkv n GLY 626 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2qkv n GLY 626 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkv s ASP 627 N -1.26 5.19 -0.20 1.61 1.01 -0.62 -4.64 116.67 117.76 2qkv s ASP 627 Ca 0.00 2.22 -0.00 0.00 0.71 0.00 0.00 52.55 55.48 2qkv s ASP 627 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2qkv s ASP 627 CO 0.00 -1.58 -0.15 -0.63 0.21 0.00 0.00 175.17 173.02 2qkv s ILE 628 N -1.89 2.47 -0.23 0.77 1.01 -0.55 -0.62 121.20 122.16 2qkv s ILE 628 Ca 0.73 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 2qkv s ILE 628 Cb -0.26 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2qkv s ILE 628 CO 0.35 0.46 1.00 -0.63 0.00 0.00 0.00 174.94 176.12 2qkv s ILE 629 N 1.33 4.71 -0.47 2.92 1.01 -0.13 -1.22 121.20 129.35 2qkv s ILE 629 Ca 0.04 1.94 0.17 0.00 0.00 0.00 0.00 60.65 62.80 2qkv s ILE 629 Cb -0.14 -4.27 -0.21 0.00 0.01 0.00 0.00 42.46 37.84 2qkv s ILE 629 CO -0.10 -0.16 0.57 0.35 0.00 0.00 0.00 174.94 175.60 2qkv n THR 630 N 5.31 0.00 -3.74 2.92 -2.24 0.10 -1.08 114.28 115.55 2qkv n THR 630 Ca 0.11 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2qkv n THR 630 Cb 0.46 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.22 2qkv n THR 630 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qkv s LYS 631 N -2.81 0.37 -0.12 -0.78 2.20 -1.14 -0.69 119.74 116.76 2qkv s LYS 631 Ca 0.01 0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 2qkv s LYS 631 Cb 0.12 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.58 2qkv s LYS 631 CO 0.69 -0.08 -0.10 0.12 -0.36 0.00 0.00 175.35 175.62 2qkv s PHE 632 N 0.52 1.70 -1.63 4.03 5.36 -0.49 -1.63 117.98 125.85 2qkv s PHE 632 Ca -0.03 -0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 54.95 2qkv s PHE 632 Cb -0.04 -1.34 0.10 0.00 -0.34 0.00 0.00 43.02 41.39 2qkv s PHE 632 CO -0.03 -0.56 0.47 0.09 -1.46 0.00 0.00 175.22 173.74 2qkv n ASN 633 N 4.86 -1.27 0.00 6.13 3.02 0.47 -0.76 115.26 127.70 2qkv n ASN 633 Ca -0.14 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2qkv n ASN 633 Cb 0.50 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 2qkv n ASN 633 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkv n GLY 634 N -1.77 3.20 3.61 7.41 0.00 -1.26 -5.02 105.19 111.37 2qkv n GLY 634 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2qkv n GLY 634 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkv s ASP 635 N -0.74 6.60 0.26 1.61 1.01 0.06 -5.02 116.67 120.44 2qkv s ASP 635 Ca 0.00 0.60 -0.30 0.00 0.71 0.00 0.00 52.55 53.56 2qkv s ASP 635 Cb 0.00 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 2qkv s ASP 635 CO 0.00 -0.54 1.47 0.00 0.21 0.00 0.00 175.17 176.31 2qkv s ALA 636 N 2.79 3.65 -1.16 5.23 0.00 -1.26 -1.40 121.76 129.61 2qkv s ALA 636 Ca 0.29 1.37 0.25 0.00 0.00 0.00 0.00 51.96 53.88 2qkv s ALA 636 Cb -0.15 -3.57 0.43 0.00 0.00 0.00 0.00 23.12 19.83 2qkv s ALA 636 CO 0.12 -0.79 1.36 1.28 0.00 0.00 0.00 175.76 177.73 2qkv n LEU 637 N 2.30 0.70 -4.70 0.00 4.77 0.13 -4.83 117.00 115.37 2qkv n LEU 637 Ca 0.07 -0.14 -0.44 0.00 -0.03 0.00 0.00 56.01 55.48 2qkv n LEU 637 Cb 0.40 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2qkv n LEU 637 CO 0.61 0.16 1.26 -1.84 -1.33 0.00 0.00 177.39 176.25 2qkv n GLU 638 N -1.31 2.47 -0.51 3.23 0.28 -1.24 -1.90 120.64 121.66 2qkv n GLU 638 Ca 0.07 0.89 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 2qkv n GLU 638 Cb 0.34 -2.68 0.00 0.00 1.43 0.00 0.00 31.44 30.53 2qkv n GLU 638 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qkv n GLY 639 N 3.38 1.09 3.76 -1.84 0.00 -0.32 -4.99 105.19 106.26 2qkv n GLY 639 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2qkv n GLY 639 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkv s LEU 640 N 0.00 4.52 0.55 0.99 1.43 -0.80 -5.00 118.68 120.37 2qkv s LEU 640 Ca 0.00 2.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.98 2qkv s LEU 640 Cb 0.00 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2qkv s LEU 640 CO 0.00 -0.07 1.29 -2.84 0.23 0.00 0.00 176.35 174.96 2qkv s PRO 641 N -1.54 3.18 0.49 1.29 0.02 -1.26 -4.80 135.00 132.38 2qkv s PRO 641 Ca 0.45 2.06 0.15 0.00 0.02 0.00 0.00 61.00 63.68 2qkv s PRO 641 Cb -0.27 -2.19 1.16 0.00 0.02 0.00 0.00 34.50 33.21 2qkv s PRO 641 CO 0.35 -1.10 2.09 0.35 -0.33 0.00 0.00 177.00 178.35 2qkv h PHE 642 N 1.40 0.02 -0.25 6.54 3.57 -1.98 -0.50 116.94 125.73 2qkv h PHE 642 Ca -0.51 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.03 2qkv h PHE 642 Cb 1.29 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2qkv h PHE 642 CO 0.47 0.08 0.17 1.96 -2.23 0.00 0.00 178.31 178.76 2qkv h GLN 643 N 0.02 0.19 0.00 1.11 4.20 -1.99 0.22 115.11 118.86 2qkv h GLN 643 Ca 0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qkv h GLN 643 Cb 0.11 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qkv h GLN 643 CO 0.01 0.13 -0.11 0.28 -0.67 0.00 0.00 178.83 178.46 2qkv h VAL 644 N 0.20 1.01 -0.59 -0.54 2.07 -1.46 -3.19 116.25 113.74 2qkv h VAL 644 Ca 0.11 -1.79 0.05 0.00 0.82 0.00 0.00 66.70 65.89 2qkv h VAL 644 Cb 0.18 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2qkv h VAL 644 CO -0.02 0.34 0.32 0.77 0.02 0.00 0.00 177.57 179.00 2qkv h SER 645 N -1.00 0.46 -0.57 0.57 4.64 -1.19 -1.56 113.55 114.90 2qkv h SER 645 Ca -0.02 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2qkv h SER 645 Cb 0.64 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.61 2qkv h SER 645 CO -0.01 0.31 0.24 0.22 -0.87 0.00 0.00 176.83 176.71 2qkv h TYR 646 N 0.60 0.43 -0.58 4.77 3.20 -0.72 -0.84 116.97 123.83 2qkv h TYR 646 Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2qkv h TYR 646 Cb 0.16 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2qkv h TYR 646 CO -0.09 0.15 0.33 0.00 -1.64 0.00 0.00 178.16 176.91 2qkv h ALA 647 N 1.37 1.49 -0.20 1.82 0.00 -1.34 -0.61 119.26 121.79 2qkv h ALA 647 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2qkv h ALA 647 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qkv h ALA 647 CO -0.25 0.43 0.09 -0.07 0.00 0.00 0.00 179.25 179.45 2qkv h LEU 648 N 0.81 0.27 -0.40 0.00 3.38 -0.24 -1.45 115.31 117.68 2qkv h LEU 648 Ca 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qkv h LEU 648 Cb -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2qkv h LEU 648 CO -0.04 0.33 0.17 -0.26 0.09 0.00 0.00 178.44 178.73 2qkv h PHE 649 N 0.18 0.59 -0.45 1.13 -1.00 -0.93 -2.81 116.94 113.65 2qkv h PHE 649 Ca 0.07 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.84 2qkv h PHE 649 Cb 0.14 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 2qkv h PHE 649 CO -0.02 0.52 0.30 -0.22 -1.61 0.00 0.00 178.31 177.28 2qkv h LYS 650 N 0.50 0.48 -0.29 1.51 3.64 -0.98 -1.80 116.57 119.63 2qkv h LYS 650 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2qkv h LYS 650 Cb 0.17 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2qkv h LYS 650 CO -0.01 0.32 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 2qkv n GLY 651 N -1.49 0.33 3.65 5.01 0.00 -0.56 -4.91 105.19 107.23 2qkv n GLY 651 Ca 0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2qkv n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkv s ALA 652 N -1.62 3.50 -0.16 4.61 0.00 -0.68 -4.96 121.76 122.45 2qkv s ALA 652 Ca 0.19 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.18 2qkv s ALA 652 Cb 0.10 -3.83 0.08 0.00 0.00 0.00 0.00 23.12 19.47 2qkv s ALA 652 CO 0.13 -1.64 0.24 -0.80 0.00 0.00 0.00 175.76 173.69 2qkv s ASN 653 N 4.33 0.83 0.00 0.00 0.01 -1.26 -4.97 114.94 113.88 2qkv s ASN 653 Ca 0.83 0.19 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 2qkv s ASN 653 Cb -0.37 0.53 0.00 0.00 0.41 0.00 0.00 41.25 41.82 2qkv s ASN 653 CO 0.36 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 2qkv n GLY 654 N 5.33 0.44 3.60 0.66 0.00 -1.24 -4.90 105.19 109.07 2qkv n GLY 654 Ca -0.05 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 2qkv n GLY 654 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkv s LYS 655 N 0.00 3.20 -0.18 1.61 1.02 -1.26 -0.70 119.74 123.43 2qkv s LYS 655 Ca 0.00 1.73 -0.08 0.00 0.02 0.00 0.00 55.97 57.64 2qkv s LYS 655 Cb 0.00 -4.30 -0.04 0.00 -0.52 0.00 0.00 37.83 32.97 2qkv s LYS 655 CO 0.00 -2.02 0.07 0.08 -0.92 0.00 0.00 175.35 172.57 2qkv s VAL 656 N 7.73 4.90 -0.08 3.17 1.01 0.18 -4.97 120.40 132.33 2qkv s VAL 656 Ca 0.91 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2qkv s VAL 656 Cb -0.28 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2qkv s VAL 656 CO 0.34 0.46 -0.10 -0.55 0.00 0.00 0.00 175.10 175.26 2qkv s SER 657 N 0.32 1.86 0.04 3.32 0.15 -1.26 -0.43 113.70 117.69 2qkv s SER 657 Ca 0.04 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2qkv s SER 657 Cb -0.12 -0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 63.37 2qkv s SER 657 CO -0.00 -0.03 -0.18 -0.04 1.20 0.00 0.00 173.24 174.19 2qkv s MET 658 N 1.08 1.18 -0.12 5.44 -1.94 -0.36 -0.40 119.30 124.18 2qkv s MET 658 Ca -0.07 -0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 2qkv s MET 658 Cb -0.14 -1.24 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 2qkv s MET 658 CO -0.01 0.31 -0.00 -1.21 -0.01 0.00 0.00 175.02 174.10 2qkv s GLU 659 N -1.14 3.33 0.06 2.03 2.02 -0.64 -0.98 118.70 123.38 2qkv s GLU 659 Ca 0.05 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.63 2qkv s GLU 659 Cb -0.08 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 2qkv s GLU 659 CO 0.01 0.51 -0.07 0.08 0.02 0.00 0.00 175.26 175.81 2qkv s VAL 660 N -0.35 0.59 0.00 2.63 1.01 0.11 -0.72 120.40 123.68 2qkv s VAL 660 Ca 0.07 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.69 2qkv s VAL 660 Cb -0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2qkv s VAL 660 CO 0.02 -0.56 -0.11 0.28 0.00 0.00 0.00 175.10 174.73 2qkv s THR 661 N -2.21 0.84 -0.43 3.92 -1.32 -0.36 -0.74 115.64 115.34 2qkv s THR 661 Ca -0.02 -0.55 -0.10 0.00 -1.21 0.00 0.00 61.69 59.80 2qkv s THR 661 Cb -0.04 -0.72 0.08 0.00 -1.51 0.00 0.00 72.50 70.30 2qkv s THR 661 CO -0.02 0.16 0.29 -0.60 -2.21 0.00 0.00 174.62 172.25 2qkv s ARG 662 N -0.44 2.67 -1.05 7.08 3.52 -1.26 -1.48 118.95 127.99 2qkv s ARG 662 Ca 0.03 -1.45 -0.19 0.00 -0.13 0.00 0.00 55.73 53.99 2qkv s ARG 662 Cb -0.05 -3.85 -0.08 0.00 -1.56 0.00 0.00 34.95 29.41 2qkv s ARG 662 CO -0.00 -0.98 2.03 -2.30 -0.81 0.00 0.00 175.30 173.25 2qkv n PRO 663 N 4.97 2.04 -3.68 5.12 -0.02 -1.26 -4.79 135.00 137.38 2qkv n PRO 663 Ca -0.10 -2.17 -0.29 0.00 -2.02 0.00 0.00 63.50 58.92 2qkv n PRO 663 Cb 0.43 -3.09 -0.12 0.00 -0.02 0.00 0.00 33.50 30.70 2qkv n PRO 663 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qkv s LYS 664 N 4.36 1.38 0.00 -0.52 1.02 -1.26 -5.11 119.74 119.61 2qkv s LYS 664 Ca 0.54 -2.21 0.00 0.00 0.02 0.00 0.00 55.97 54.32 2qkv s LYS 664 Cb 0.14 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2qkv s LYS 664 CO 0.04 -1.22 0.04 -2.30 -0.92 0.00 0.00 175.35 170.99