#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb s ALA 579 N 0.00 2.92 -0.83 0.62 0.00 -1.26 -5.05 121.76 118.16 2kvb s ALA 579 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 2kvb s ALA 579 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2kvb s ALA 579 CO 0.00 0.62 1.76 -1.21 0.00 0.00 0.00 175.76 176.94 2kvb s GLU 580 N -1.89 2.83 0.23 0.00 2.02 -1.26 -4.69 118.70 115.94 2kvb s GLU 580 Ca 0.19 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2kvb s GLU 580 Cb -0.11 -4.85 0.00 0.00 0.10 0.00 0.00 34.13 29.27 2kvb s GLU 580 CO 0.11 -2.87 0.00 0.00 0.02 0.00 0.00 175.26 172.52 2kvb n ALA 581 N 12.25 -1.19 1.12 5.21 0.00 -1.26 -4.72 120.51 131.92 2kvb n ALA 581 Ca 0.30 0.25 0.13 0.00 0.00 0.00 0.00 53.44 54.12 2kvb n ALA 581 Cb 0.49 -0.76 0.39 0.00 0.00 0.00 0.00 19.45 19.57 2kvb n ALA 581 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kvb n GLU 582 N -2.29 0.30 -2.20 0.00 1.02 -1.26 -4.98 120.64 111.23 2kvb n GLU 582 Ca -0.01 -0.15 -0.03 0.00 -0.02 0.00 0.00 57.16 56.94 2kvb n GLU 582 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2kvb n GLU 582 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kvb n PHE 583 N -1.22 -1.71 -3.91 -0.32 7.35 -1.26 -5.06 117.46 111.33 2kvb n PHE 583 Ca 0.09 0.68 -0.30 0.00 -0.76 0.00 0.00 57.45 57.16 2kvb n PHE 583 Cb 0.33 -2.81 -0.16 0.00 0.35 0.00 0.00 39.48 37.19 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2kvb s LEU 584 N -2.05 2.63 -0.59 -2.13 1.02 -1.26 -4.89 118.68 111.41 2kvb s LEU 584 Ca 0.10 -1.28 -0.11 0.00 0.02 0.00 0.00 54.13 52.86 2kvb s LEU 584 Cb -0.03 -1.15 0.01 0.00 0.02 0.00 0.00 46.19 45.05 2kvb s LEU 584 CO 0.39 -0.27 0.65 -1.20 0.02 0.00 0.00 176.35 175.93 2kvb n SER 585 N 4.68 -7.35 -4.09 2.29 7.64 -1.26 -4.27 113.62 111.26 2kvb n SER 585 Ca -0.09 0.09 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 2kvb n SER 585 Cb 0.44 -4.62 -0.15 0.00 -1.01 0.00 0.00 64.21 58.86 2kvb n SER 585 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kvb s ARG 586 N -2.96 2.54 -0.36 1.43 0.52 -1.25 -1.92 118.95 116.95 2kvb s ARG 586 Ca 0.15 -1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 54.10 2kvb s ARG 586 Cb -0.03 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2kvb s ARG 586 CO 0.79 -0.43 0.22 0.99 0.02 0.00 0.00 175.30 176.89 2kvb s THR 587 N 1.18 4.82 -0.16 0.02 2.01 0.43 -4.87 115.64 119.06 2kvb s THR 587 Ca -0.03 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2kvb s THR 587 Cb -0.17 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2kvb s THR 587 CO -0.08 -0.14 0.00 -0.70 -0.69 0.00 0.00 174.62 173.01 2kvb s GLU 588 N 1.62 3.76 0.00 4.92 2.12 -1.26 0.53 118.70 130.39 2kvb s GLU 588 Ca 0.04 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.92 2kvb s GLU 588 Cb -0.18 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2kvb s GLU 588 CO 0.08 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 2kvb n GLY 589 N 3.46 1.74 0.68 -1.50 0.00 0.12 -4.99 105.19 104.70 2kvb n GLY 589 Ca -0.17 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 2kvb n GLY 589 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvb n ASP 590 N -2.95 1.05 -4.95 1.61 2.03 -1.26 -4.35 116.55 107.73 2kvb n ASP 590 Ca 0.00 0.03 -0.20 0.00 0.52 0.00 0.00 54.79 55.15 2kvb n ASP 590 Cb 0.00 -0.11 0.04 0.00 -0.72 0.00 0.00 41.12 40.33 2kvb n ASP 590 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kvb s ASN 591 N -5.15 5.25 0.00 1.67 2.47 -1.26 -3.57 114.94 114.35 2kvb s ASN 591 Ca -0.06 -0.28 -0.01 0.00 0.42 0.00 0.00 52.86 52.94 2kvb s ASN 591 Cb 0.02 -0.56 -0.03 0.00 -1.45 0.00 0.00 41.25 39.23 2kvb s ASN 591 CO 0.08 -1.14 1.49 0.00 -3.72 0.00 0.00 177.10 173.80 2kvb s THR 593 N 0.90 0.86 -0.05 0.00 -4.23 -1.26 -2.58 115.64 109.28 2kvb s THR 593 Ca 0.08 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2kvb s THR 593 Cb 0.04 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.13 2kvb s THR 593 CO 0.00 0.11 -0.08 0.54 -0.54 0.00 0.00 174.62 174.65 2kvb s VAL 594 N -0.52 0.79 -0.16 2.29 0.11 0.06 -4.61 120.40 118.37 2kvb s VAL 594 Ca 0.02 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2kvb s VAL 594 Cb -0.06 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2kvb s VAL 594 CO 0.00 0.27 -0.20 0.12 -3.33 0.00 0.00 175.10 171.96 2kvb s PHE 595 N 0.69 2.65 -0.24 1.54 5.36 -1.26 0.25 117.98 126.96 2kvb s PHE 595 Ca -0.11 -1.46 -0.08 0.00 -0.96 0.00 0.00 56.93 54.32 2kvb s PHE 595 Cb -0.14 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 2kvb s PHE 595 CO 0.02 -0.70 0.09 0.34 -1.46 0.00 0.00 175.22 173.51 2kvb s ASP 596 N 1.09 5.37 0.47 6.13 -1.08 -0.98 -4.96 116.67 122.70 2kvb s ASP 596 Ca -0.01 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.15 2kvb s ASP 596 Cb -0.14 -1.97 1.12 0.00 -1.46 0.00 0.00 42.92 40.47 2kvb s ASP 596 CO -0.08 -0.01 1.92 0.77 0.52 0.00 0.00 175.17 178.29 2kvb h SER 597 N 8.03 0.00 0.18 -0.34 4.64 -1.97 0.20 113.55 124.29 2kvb h SER 597 Ca -0.37 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.69 2kvb h SER 597 Cb 1.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 597 CO 0.59 0.19 -1.17 1.56 -0.87 0.00 0.00 176.83 177.13 2kvb h GLN 598 N 0.00 0.38 0.00 4.77 7.50 -1.97 -3.33 115.11 122.47 2kvb h GLN 598 Ca -0.00 -0.66 -0.06 0.00 0.50 0.00 0.00 58.65 58.43 2kvb h GLN 598 Cb 0.60 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 2kvb h GLN 598 CO 0.02 1.31 -0.35 0.00 -1.50 0.00 0.00 178.83 178.32 2kvb h ALA 599 N 0.09 0.80 -0.57 3.87 0.00 -1.95 -3.47 119.26 118.02 2kvb h ALA 599 Ca -0.21 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 2kvb h ALA 599 Cb 1.87 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 2kvb h ALA 599 CO 0.19 0.37 -0.22 0.41 0.00 0.00 0.00 179.25 179.99 2kvb n GLY 600 N 1.18 1.28 3.19 0.00 0.00 0.69 -4.99 105.19 106.55 2kvb n GLY 600 Ca 0.02 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2kvb n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 601 N -2.37 1.63 -0.13 1.61 0.08 -1.23 -5.00 117.98 112.57 2kvb s PHE 601 Ca 0.00 -0.33 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 2kvb s PHE 601 Cb 0.00 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2kvb s PHE 601 CO 0.00 0.01 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.53 2kvb s SER 602 N -0.71 4.61 -0.08 1.36 1.04 -1.26 -2.33 113.70 116.33 2kvb s SER 602 Ca 0.07 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.38 2kvb s SER 602 Cb -0.08 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.41 2kvb s SER 602 CO 0.00 0.20 -0.18 -0.36 0.98 0.00 0.00 173.24 173.89 2kvb s PHE 603 N 0.14 1.98 -0.30 5.02 0.08 0.14 -4.98 117.98 120.06 2kvb s PHE 603 Ca -0.03 -0.77 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 2kvb s PHE 603 Cb -0.14 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2kvb s PHE 603 CO 0.03 -0.34 0.13 -0.51 -0.10 0.00 0.00 175.22 174.44 2kvb s ASP 604 N 0.48 5.41 -0.27 1.36 1.01 -1.26 -0.76 116.67 122.64 2kvb s ASP 604 Ca -0.16 -0.56 0.12 0.00 0.71 0.00 0.00 52.55 52.66 2kvb s ASP 604 Cb -0.17 -1.97 0.64 0.00 1.01 0.00 0.00 42.92 42.44 2kvb s ASP 604 CO 0.06 -0.19 1.63 0.18 0.21 0.00 0.00 175.17 177.06 2kvb n LEU 605 N 4.95 5.05 -0.15 1.23 4.77 -1.06 -4.56 117.00 127.23 2kvb n LEU 605 Ca -0.14 -3.24 -0.10 0.00 -0.03 0.00 0.00 56.01 52.50 2kvb n LEU 605 Cb 0.49 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2kvb n LEU 605 CO 0.33 0.83 0.72 0.71 -1.33 0.00 0.00 177.39 178.65 2kvb h THR 606 N 2.19 1.27 0.00 -5.08 1.35 -1.93 -2.78 112.91 107.93 2kvb h THR 606 Ca 0.16 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2kvb h THR 606 Cb 1.93 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2kvb h THR 606 CO 0.51 0.46 0.00 -0.65 -0.25 0.00 0.00 175.52 175.58 2kvb h PRO 607 N 0.84 0.00 0.00 4.72 0.11 -1.96 -1.01 132.00 134.69 2kvb h PRO 607 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2kvb h PRO 607 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2kvb h PRO 607 CO 0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 2kvb n LEU 608 N -3.06 0.76 -4.70 2.35 4.32 -1.05 -4.71 117.00 110.91 2kvb n LEU 608 Ca -0.02 0.60 -0.42 0.00 -0.02 0.00 0.00 56.01 56.15 2kvb n LEU 608 Cb 0.14 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.52 2kvb n LEU 608 CO 0.22 -0.28 0.86 -0.89 -1.22 0.00 0.00 177.39 176.08 2kvb s THR 609 N -3.15 4.40 0.02 -5.08 2.01 -0.39 -4.21 115.64 109.24 2kvb s THR 609 Ca 0.09 1.72 0.04 0.00 0.31 0.00 0.00 61.69 63.85 2kvb s THR 609 Cb 0.12 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2kvb s THR 609 CO 0.54 0.05 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.86 2kvb s LYS 610 N 1.72 0.89 0.10 4.92 1.02 -1.26 -5.01 119.74 122.11 2kvb s LYS 610 Ca 0.54 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.83 2kvb s LYS 610 Cb -0.24 -0.86 -0.10 0.00 -0.52 0.00 0.00 37.83 36.11 2kvb s LYS 610 CO 0.24 0.22 1.38 -0.22 -0.92 0.00 0.00 175.35 176.05 2kvb h LYS 611 N 5.38 0.77 0.00 1.68 1.63 -1.95 -2.97 116.57 121.11 2kvb h LYS 611 Ca -0.35 -0.49 -0.10 0.00 -0.85 0.00 0.00 60.65 58.86 2kvb h LYS 611 Cb 1.18 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2kvb h LYS 611 CO 0.46 1.12 -0.47 0.22 -3.45 0.00 0.00 179.45 177.33 2kvb h ASP 612 N 0.52 0.00 -3.67 4.20 3.58 -1.95 -3.26 116.42 115.83 2kvb h ASP 612 Ca 0.01 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.66 2kvb h ASP 612 Cb 1.08 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 2kvb h ASP 612 CO 0.11 0.47 -0.35 0.00 -2.88 0.00 0.00 179.24 176.58 2kvb n ALA 613 N -2.42 -1.91 -2.82 -0.78 0.00 -1.12 -4.79 120.51 106.68 2kvb n ALA 613 Ca -0.01 0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 2kvb n ALA 613 Cb 0.50 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -2.07 3.34 -0.08 0.00 1.51 0.12 -4.95 117.35 115.22 2kvb s TYR 614 Ca 0.00 0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2kvb s TYR 614 Cb 0.00 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 2kvb s TYR 614 CO 0.00 0.57 -0.08 0.21 -1.11 0.00 0.00 175.55 175.13 2kvb s LYS 615 N -1.98 1.43 -0.16 -0.62 2.20 -1.26 -0.66 119.74 118.69 2kvb s LYS 615 Ca 0.26 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2kvb s LYS 615 Cb -0.12 -1.38 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 2kvb s LYS 615 CO 0.18 -0.14 0.04 0.08 -0.36 0.00 0.00 175.35 175.15 2kvb s VAL 616 N 1.26 4.64 -0.07 4.02 1.01 0.95 -4.93 120.40 127.29 2kvb s VAL 616 Ca -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.88 2kvb s VAL 616 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 2kvb s VAL 616 CO -0.03 0.50 -0.16 -1.61 0.00 0.00 0.00 175.10 173.80 2kvb s GLU 617 N 0.11 2.68 0.00 2.72 2.02 -1.26 0.16 118.70 125.13 2kvb s GLU 617 Ca 0.04 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2kvb s GLU 617 Cb -0.12 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2kvb s GLU 617 CO 0.01 0.51 0.00 0.25 0.02 0.00 0.00 175.26 176.05 2kvb n THR 618 N 2.64 0.00 -0.08 3.63 -2.24 0.60 -5.00 114.28 113.84 2kvb n THR 618 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 2kvb n THR 618 Cb 0.52 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 2kvb n THR 618 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kvb h ASP 619 N 0.00 0.43 0.00 3.42 3.58 -2.03 -3.38 116.42 118.44 2kvb h ASP 619 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2kvb h ASP 619 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kvb h ASP 619 CO 0.00 0.66 0.00 0.29 -2.88 0.00 0.00 179.24 177.31 2kvb n LYS 620 N -4.62 0.62 -4.14 0.28 5.02 -1.26 -4.93 118.16 109.13 2kvb n LYS 620 Ca -0.04 -0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 55.46 2kvb n LYS 620 Cb 0.26 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.37 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kvb s TYR 621 N -0.30 0.77 0.08 2.13 1.51 -1.26 -0.34 117.35 119.94 2kvb s TYR 621 Ca 0.00 -1.11 0.05 0.00 -1.01 0.00 0.00 57.07 55.00 2kvb s TYR 621 Cb 0.00 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2kvb s TYR 621 CO 0.00 -0.39 -0.14 -1.83 -1.11 0.00 0.00 175.55 172.09 2kvb s GLU 622 N -3.96 0.85 -0.16 -0.62 -1.05 -0.46 -0.29 118.70 113.01 2kvb s GLU 622 Ca 0.16 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 53.98 2kvb s GLU 622 Cb 0.07 -0.80 0.02 0.00 -0.44 0.00 0.00 34.13 32.98 2kvb s GLU 622 CO -0.03 0.17 -0.20 -0.06 0.95 0.00 0.00 175.26 176.09 2kvb s PHE 623 N -1.54 2.64 -0.20 4.83 0.40 0.12 -2.09 117.98 122.15 2kvb s PHE 623 Ca 0.00 -1.47 -0.03 0.00 -0.60 0.00 0.00 56.93 54.84 2kvb s PHE 623 Cb -0.08 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2kvb s PHE 623 CO 0.02 -0.71 -0.06 -1.58 0.70 0.00 0.00 175.22 173.59 2kvb s HIS 624 N 1.13 2.94 0.04 0.36 2.46 0.12 -0.03 115.29 122.31 2kvb s HIS 624 Ca 0.00 -0.81 -0.01 0.00 0.47 0.00 0.00 55.06 54.71 2kvb s HIS 624 Cb -0.14 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.23 2kvb s HIS 624 CO -0.08 -0.43 -0.03 0.96 -2.47 0.00 0.00 174.74 172.69 2kvb s ILE 625 N 1.16 0.18 0.01 0.89 -4.36 0.16 -0.02 121.20 119.22 2kvb s ILE 625 Ca 0.02 -1.49 0.02 0.00 -0.26 0.00 0.00 60.65 58.94 2kvb s ILE 625 Cb -0.14 -1.08 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 2kvb s ILE 625 CO -0.01 -0.82 -0.06 0.21 0.24 0.00 0.00 174.94 174.50 2kvb s ASN 626 N -2.40 0.70 -0.28 4.36 2.47 -1.02 -0.70 114.94 118.07 2kvb s ASN 626 Ca -0.01 -0.22 -0.27 0.00 0.42 0.00 0.00 52.86 52.78 2kvb s ASN 626 Cb 0.02 -0.04 0.01 0.00 -1.45 0.00 0.00 41.25 39.78 2kvb s ASN 626 CO -0.07 -0.01 0.97 -0.69 -3.72 0.00 0.00 177.10 173.58 2kvb s VAL 627 N -0.47 4.67 0.08 -5.21 1.01 -1.26 -4.81 120.40 114.42 2kvb s VAL 627 Ca -0.01 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2kvb s VAL 627 Cb -0.04 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2kvb s VAL 627 CO -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.83 2kvb n GLY 629 N -1.35 0.55 4.02 0.00 0.00 -0.04 -4.82 105.19 103.54 2kvb n GLY 629 Ca 0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 2.50 -0.09 1.61 0.05 -1.26 -2.87 135.00 134.95 2kvb s PRO 630 Ca 0.00 -1.40 0.02 0.00 0.05 0.00 0.00 61.00 59.67 2kvb s PRO 630 Cb 0.00 -2.67 -0.02 0.00 0.05 0.00 0.00 34.50 31.86 2kvb s PRO 630 CO 0.00 -0.64 -0.13 0.54 0.05 0.00 0.00 177.00 176.82 2kvb s VAL 631 N -2.57 3.17 -0.97 -0.36 0.11 0.19 -4.79 120.40 115.18 2kvb s VAL 631 Ca 0.59 -0.66 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2kvb s VAL 631 Cb -0.08 -2.29 0.25 0.00 -1.53 0.00 0.00 36.38 32.73 2kvb s VAL 631 CO 0.37 0.56 0.92 -0.55 -3.33 0.00 0.00 175.10 173.08 2kvb s SER 632 N -0.30 6.82 0.15 3.54 0.15 -1.23 -4.68 113.70 118.14 2kvb s SER 632 Ca 0.03 -3.35 0.09 0.00 0.70 0.00 0.00 55.95 53.42 2kvb s SER 632 Cb -0.13 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2kvb s SER 632 CO 0.03 -0.34 -0.16 -0.69 1.20 0.00 0.00 173.24 173.27 2kvb s VAL 633 N -0.85 2.86 -1.60 4.45 1.01 -1.26 -4.78 120.40 120.23 2kvb s VAL 633 Ca 0.26 -1.66 0.09 0.00 0.00 0.00 0.00 61.98 60.67 2kvb s VAL 633 Cb -0.10 -2.36 0.31 0.00 0.00 0.00 0.00 36.38 34.23 2kvb s VAL 633 CO -0.09 -0.01 1.19 0.61 0.00 0.00 0.00 175.10 176.80 2kvb n GLY 634 N 0.44 1.03 0.03 4.51 0.00 -1.26 -3.65 105.19 106.29 2kvb n GLY 634 Ca -0.13 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.57 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 0.41 2.44 -2.46 4.61 0.00 -1.26 -5.00 120.51 119.25 2kvb n ALA 635 Ca 0.11 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 2kvb n ALA 635 Cb 0.40 -0.52 -0.11 0.00 0.00 0.00 0.00 19.45 19.22 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb n PRO 637 N 0.61 0.55 0.32 0.00 -0.04 -1.26 -4.58 135.00 130.60 2kvb n PRO 637 Ca -0.17 0.24 0.22 0.00 -0.04 0.00 0.00 63.50 63.74 2kvb n PRO 637 Cb 0.58 -2.12 1.12 0.00 -0.04 0.00 0.00 33.50 33.05 2kvb n PRO 637 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2kvb h PRO 638 N -0.10 0.00 0.00 0.54 0.11 -1.88 -1.49 132.00 129.17 2kvb h PRO 638 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kvb h PRO 638 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2kvb h PRO 638 CO 0.47 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 2kvb n ASP 639 N -3.04 0.00 -4.86 -2.05 8.00 -1.26 -4.42 116.55 108.92 2kvb n ASP 639 Ca -0.02 -1.11 -0.35 0.00 0.71 0.00 0.00 54.79 54.02 2kvb n ASP 639 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kvb s SER 640 N -1.87 6.68 -0.00 -2.24 0.15 -0.56 -0.13 113.70 115.71 2kvb s SER 640 Ca 0.41 0.85 0.16 0.00 0.70 0.00 0.00 55.95 58.06 2kvb s SER 640 Cb 0.19 -2.20 -0.19 0.00 -1.71 0.00 0.00 66.02 62.11 2kvb s SER 640 CO 0.31 0.16 0.61 0.61 1.20 0.00 0.00 173.24 176.13 2kvb n GLY 641 N 0.89 -0.55 3.40 9.45 0.00 0.10 0.55 105.19 119.04 2kvb n GLY 641 Ca -0.07 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -2.63 -1.32 -0.01 4.61 0.00 -1.12 -2.43 121.76 118.86 2kvb s ALA 642 Ca 0.04 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kvb s ALA 642 Cb 0.12 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2kvb s ALA 642 CO 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.12 2kvb s GLN 644 N 0.55 2.06 -0.02 0.00 -2.07 -0.80 0.14 119.66 119.52 2kvb s GLN 644 Ca -0.05 -0.98 0.01 0.00 -1.82 0.00 0.00 55.36 52.52 2kvb s GLN 644 Cb -0.07 -2.16 0.02 0.00 -1.09 0.00 0.00 33.01 29.71 2kvb s GLN 644 CO -0.01 0.54 -0.02 0.54 -1.32 0.00 0.00 175.29 175.02 2kvb s VAL 645 N -0.87 0.31 -0.30 3.63 0.11 -0.89 -0.60 120.40 121.79 2kvb s VAL 645 Ca 0.14 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 2kvb s VAL 645 Cb -0.10 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 2kvb s VAL 645 CO 0.04 0.15 1.43 -0.55 -3.33 0.00 0.00 175.10 172.84 2kvb s SER 646 N 0.63 6.49 0.47 3.54 0.15 0.25 -1.35 113.70 123.87 2kvb s SER 646 Ca -0.07 1.25 0.31 0.00 0.70 0.00 0.00 55.95 58.13 2kvb s SER 646 Cb -0.10 -2.54 1.21 0.00 -1.71 0.00 0.00 66.02 62.88 2kvb s SER 646 CO -0.01 -1.23 1.89 0.08 1.20 0.00 0.00 173.24 175.18 2kvb h ARG 647 N 10.13 0.00 0.00 5.44 0.11 -0.99 0.31 114.38 129.37 2kvb h ARG 647 Ca -0.29 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.75 2kvb h ARG 647 Cb 1.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 2kvb h ARG 647 CO 1.04 0.00 -0.22 1.03 0.10 0.00 0.00 179.97 181.92 2kvb h SER 648 N 0.00 0.00 0.00 0.08 0.87 -1.82 -3.40 113.55 109.28 2kvb h SER 648 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 2kvb h SER 648 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kvb h SER 648 CO 0.00 1.06 -1.10 -0.67 -0.53 0.00 0.00 176.83 175.59 2kvb n ASP 649 N -4.59 0.90 -0.48 6.23 -0.08 -1.21 -4.97 116.55 112.35 2kvb n ASP 649 Ca -0.13 -0.59 -0.06 0.00 -1.51 0.00 0.00 54.79 52.50 2kvb n ASP 649 Cb 0.49 1.26 -0.03 0.00 2.34 0.00 0.00 41.12 45.18 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kvb n ARG 650 N -1.62 -0.56 -2.48 -0.67 3.00 0.11 -5.01 116.66 109.43 2kvb n ARG 650 Ca 0.01 0.67 -0.41 0.00 -0.01 0.00 0.00 57.85 58.11 2kvb n ARG 650 Cb 0.31 -4.44 -0.04 0.00 0.00 0.00 0.00 32.46 28.29 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -2.32 4.60 0.03 5.56 -0.14 -1.24 -4.75 119.74 121.48 2kvb s LYS 651 Ca 0.00 1.78 0.03 0.00 -1.36 0.00 0.00 55.97 56.42 2kvb s LYS 651 Cb 0.00 -3.23 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2kvb s LYS 651 CO 0.00 0.12 -0.10 -1.54 -0.76 0.00 0.00 175.35 173.07 2kvb s SER 652 N -0.44 1.18 0.12 2.83 1.04 -1.26 0.85 113.70 118.03 2kvb s SER 652 Ca 0.47 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.57 2kvb s SER 652 Cb -0.31 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 2kvb s SER 652 CO 0.38 -0.02 -0.11 0.26 0.98 0.00 0.00 173.24 174.73 2kvb s TRP 653 N -0.79 1.25 -0.18 5.02 0.51 0.23 -4.99 118.94 119.99 2kvb s TRP 653 Ca -0.01 -0.65 -0.15 0.00 -2.12 0.00 0.00 56.10 53.16 2kvb s TRP 653 Cb -0.07 -0.65 -0.04 0.00 -0.81 0.00 0.00 33.47 31.90 2kvb s TRP 653 CO 0.01 0.08 0.35 1.21 -0.51 0.00 0.00 176.95 178.09 2kvb s ASN 654 N -2.70 6.43 -0.21 2.95 3.84 -1.26 -1.89 114.94 122.10 2kvb s ASN 654 Ca 0.10 0.51 0.15 0.00 0.21 0.00 0.00 52.86 53.83 2kvb s ASN 654 Cb -0.02 -2.21 0.61 0.00 -0.55 0.00 0.00 41.25 39.08 2kvb s ASN 654 CO 0.01 0.00 1.52 0.18 -2.79 0.00 0.00 177.10 176.03 2kvb n LEU 655 N 4.08 4.46 0.00 3.21 4.77 0.52 -3.43 117.00 130.61 2kvb n LEU 655 Ca -0.10 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 2kvb n LEU 655 Cb 0.51 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2kvb n LEU 655 CO 0.40 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kvb n GLY 656 N -0.30 4.30 3.79 -0.72 0.00 -1.19 -1.41 105.19 109.66 2kvb n GLY 656 Ca 0.25 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 2kvb n GLY 656 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kvb s ARG 657 N -4.87 1.30 0.26 1.61 0.52 -1.25 0.02 118.95 116.55 2kvb s ARG 657 Ca 0.00 0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.24 2kvb s ARG 657 Cb 0.00 -1.85 -0.13 0.00 0.52 0.00 0.00 34.95 33.49 2kvb s ARG 657 CO 0.00 -2.10 1.47 -1.13 0.02 0.00 0.00 175.30 173.57 2kvb n SER 658 N -3.71 3.14 -3.68 0.23 3.41 0.81 -3.48 113.62 110.34 2kvb n SER 658 Ca 0.07 1.14 -0.05 0.00 -0.26 0.00 0.00 58.87 59.77 2kvb n SER 658 Cb 0.59 -1.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.04 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvb s ASN 659 N 0.36 -0.17 0.00 4.04 2.47 -1.14 -4.83 114.94 115.68 2kvb s ASN 659 Ca 0.67 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 53.40 2kvb s ASN 659 Cb -0.59 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 2kvb s ASN 659 CO 0.49 -1.10 0.71 0.00 -3.72 0.00 0.00 177.10 173.49 2kvb n ALA 660 N -0.50 1.64 -1.95 1.71 0.00 -1.26 -0.86 120.51 119.29 2kvb n ALA 660 Ca -0.05 -0.65 -0.36 0.00 0.00 0.00 0.00 53.44 52.38 2kvb n ALA 660 Cb 0.60 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N 0.00 2.50 -0.02 0.00 -0.14 -1.23 -2.56 119.74 118.29 2kvb s LYS 661 Ca 0.00 0.64 -0.19 0.00 -1.36 0.00 0.00 55.97 55.06 2kvb s LYS 661 Cb 0.00 -4.50 -0.05 0.00 -1.68 0.00 0.00 37.83 31.59 2kvb s LYS 661 CO 0.00 -2.94 0.55 -0.51 -0.76 0.00 0.00 175.35 171.69 2kvb s LEU 662 N 9.86 4.40 0.02 3.17 1.43 -1.26 -2.85 118.68 133.45 2kvb s LEU 662 Ca 0.73 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 2kvb s LEU 662 Cb -0.13 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 2kvb s LEU 662 CO 0.19 0.12 -0.25 -0.44 0.23 0.00 0.00 176.35 176.20 2kvb s SER 663 N -0.20 3.00 -0.22 2.29 0.01 0.18 0.14 113.70 118.90 2kvb s SER 663 Ca 0.29 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 2kvb s SER 663 Cb -0.18 -0.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 2kvb s SER 663 CO 0.16 0.27 -0.05 -0.47 0.41 0.00 0.00 173.24 173.56 2kvb s TYR 664 N -0.71 2.96 -0.06 2.43 6.14 0.19 0.29 117.35 128.58 2kvb s TYR 664 Ca 0.10 -1.06 -0.02 0.00 0.64 0.00 0.00 57.07 56.73 2kvb s TYR 664 Cb -0.10 -2.09 -0.04 0.00 0.42 0.00 0.00 41.96 40.15 2kvb s TYR 664 CO 0.01 -0.59 0.05 -0.47 0.64 0.00 0.00 175.55 175.19 2kvb s TYR 665 N 1.45 3.28 -0.23 4.97 5.04 0.28 -0.43 117.35 131.72 2kvb s TYR 665 Ca 0.05 0.26 -0.37 0.00 -2.44 0.00 0.00 57.07 54.57 2kvb s TYR 665 Cb -0.14 -1.79 -0.13 0.00 0.35 0.00 0.00 41.96 40.24 2kvb s TYR 665 CO -0.04 0.55 1.91 -3.47 -1.34 0.00 0.00 175.55 173.16 2kvb n ASP 666 N 1.76 2.74 0.00 4.32 2.03 -0.81 -1.13 116.55 125.46 2kvb n ASP 666 Ca -0.17 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2kvb n ASP 666 Cb 0.54 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kvb n GLY 667 N 4.87 3.11 3.16 0.27 0.00 -1.26 -5.04 105.19 110.30 2kvb n GLY 667 Ca 0.29 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 2kvb n GLY 667 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kvb s MET 668 N 0.00 0.75 -0.02 1.61 -1.94 -0.28 -4.93 119.30 114.50 2kvb s MET 668 Ca 0.00 -1.07 -0.15 0.00 -1.71 0.00 0.00 55.69 52.77 2kvb s MET 668 Cb 0.00 0.29 -0.05 0.00 2.01 0.00 0.00 34.83 37.07 2kvb s MET 668 CO 0.00 -0.21 0.40 0.42 -0.01 0.00 0.00 175.02 175.62 2kvb s ILE 669 N -3.89 5.07 0.01 2.53 1.09 -1.21 -0.55 121.20 124.25 2kvb s ILE 669 Ca 0.06 0.81 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 2kvb s ILE 669 Cb 0.06 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 2kvb s ILE 669 CO -0.10 0.56 -0.11 -1.10 -0.10 0.00 0.00 174.94 174.09 2kvb s GLN 670 N -0.92 0.81 -0.13 2.79 -0.21 0.14 0.39 119.66 122.54 2kvb s GLN 670 Ca 0.23 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.14 2kvb s GLN 670 Cb -0.16 -0.78 0.01 0.00 1.00 0.00 0.00 33.01 33.08 2kvb s GLN 670 CO 0.12 0.20 -0.22 -1.17 -2.12 0.00 0.00 175.29 172.11 2kvb s LEU 671 N -0.60 2.14 -0.18 2.90 0.20 0.07 0.47 118.68 123.69 2kvb s LEU 671 Ca 0.02 -0.58 -0.05 0.00 0.69 0.00 0.00 54.13 54.22 2kvb s LEU 671 Cb -0.05 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 2kvb s LEU 671 CO 0.00 0.10 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.26 2kvb s THR 672 N 0.68 4.02 0.52 3.68 2.01 -1.13 -1.28 115.64 124.14 2kvb s THR 672 Ca -0.10 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.63 2kvb s THR 672 Cb -0.16 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.60 2kvb s THR 672 CO 0.01 0.46 0.73 -0.31 -0.69 0.00 0.00 174.62 174.82 2kvb s TYR 673 N 0.61 2.69 1.11 4.92 2.02 -0.70 -4.46 117.35 123.56 2kvb s TYR 673 Ca -0.01 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.32 2kvb s TYR 673 Cb -0.14 -2.63 0.26 0.00 -0.40 0.00 0.00 41.96 39.05 2kvb s TYR 673 CO 0.02 -0.81 1.21 1.03 -1.57 0.00 0.00 175.55 175.44 2kvb s ARG 674 N -4.66 -0.55 0.28 -0.62 1.81 -1.23 -4.68 118.95 109.30 2kvb s ARG 674 Ca 0.57 -0.28 0.02 0.00 -1.72 0.00 0.00 55.73 54.32 2kvb s ARG 674 Cb -0.10 -1.70 0.61 0.00 -0.45 0.00 0.00 34.95 33.32 2kvb s ARG 674 CO 0.37 -3.23 1.79 0.38 -0.68 0.00 0.00 175.30 173.94 2kvb h ASP 675 N -2.23 0.76 0.00 0.23 2.03 -1.90 -3.32 116.42 111.99 2kvb h ASP 675 Ca -0.44 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2kvb h ASP 675 Cb 1.26 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2kvb h ASP 675 CO 0.33 0.33 0.00 0.61 -1.03 0.00 0.00 179.24 179.48 2kvb n GLY 676 N -1.33 1.03 2.79 7.15 0.00 -1.26 -3.70 105.19 109.87 2kvb n GLY 676 Ca 0.20 0.54 -0.24 0.00 0.00 0.00 0.00 46.02 46.53 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 0.50 0.53 2.61 2.01 -1.22 -4.89 115.64 115.17 2kvb s THR 677 Ca 0.00 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.87 2kvb s THR 677 Cb 0.00 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 2kvb s THR 677 CO 0.00 0.27 0.99 -2.16 -0.69 0.00 0.00 174.62 173.03 2kvb s PRO 678 N 1.92 3.87 0.00 4.92 0.04 -1.26 -1.03 135.00 143.46 2kvb s PRO 678 Ca 0.05 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2kvb s PRO 678 Cb -0.12 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2kvb s PRO 678 CO -0.06 -0.34 0.02 0.66 0.04 0.00 0.00 177.00 177.33 2kvb n TYR 679 N -1.67 0.00 0.00 0.56 4.01 -0.37 -4.81 117.16 114.88 2kvb n TYR 679 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2kvb n TYR 679 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kvb n ASN 680 N -0.03 0.00 -4.82 7.72 6.94 -1.26 -5.06 115.26 118.75 2kvb n ASN 680 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.34 2kvb n ASN 680 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kvb s ASN 681 N 0.00 4.82 0.40 0.53 4.22 -1.26 -5.01 114.94 118.65 2kvb s ASN 681 Ca 0.00 -0.84 0.16 0.00 -2.14 0.00 0.00 52.86 50.04 2kvb s ASN 681 Cb 0.00 -0.58 0.86 0.00 1.28 0.00 0.00 41.25 42.81 2kvb s ASN 681 CO 0.00 -0.57 1.87 -0.33 -2.04 0.00 0.00 177.10 176.03 2kvb h GLU 682 N 1.22 0.00 0.00 3.55 3.07 -2.01 -1.77 114.58 118.64 2kvb h GLU 682 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 2kvb h GLU 682 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2kvb h GLU 682 CO 0.62 0.32 0.00 -0.22 -1.40 0.00 0.00 179.01 178.33 2kvb h LYS 683 N 0.00 0.00 -4.58 2.33 3.64 -2.06 -3.47 116.57 112.44 2kvb h LYS 683 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 2kvb h LYS 683 Cb 0.62 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.55 2kvb h LYS 683 CO 0.04 0.00 -0.53 -2.13 -2.27 0.00 0.00 179.45 174.56 2kvb n ARG 684 N -2.66 -5.12 -2.64 1.90 3.00 -0.66 -4.92 116.66 105.56 2kvb n ARG 684 Ca 0.04 0.61 -0.43 0.00 -0.00 0.00 0.00 57.85 58.06 2kvb n ARG 684 Cb 0.41 -4.93 -0.02 0.00 0.00 0.00 0.00 32.46 27.92 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kvb s THR 685 N -3.25 4.61 0.20 5.15 2.01 -1.26 -4.83 115.64 118.27 2kvb s THR 685 Ca 0.15 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 63.77 2kvb s THR 685 Cb -0.07 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 2kvb s THR 685 CO 0.52 -0.27 1.31 -2.16 -0.69 0.00 0.00 174.62 173.34 2kvb s PRO 686 N 3.35 4.38 -0.26 4.92 0.04 -1.26 -1.23 135.00 144.94 2kvb s PRO 686 Ca 0.45 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 2kvb s PRO 686 Cb -0.14 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 2kvb s PRO 686 CO 0.09 -0.26 1.32 1.03 0.04 0.00 0.00 177.00 179.22 2kvb s ARG 687 N -0.11 3.97 0.27 4.56 0.52 -0.20 -4.73 118.95 123.23 2kvb s ARG 687 Ca 0.57 1.37 0.05 0.00 -0.52 0.00 0.00 55.73 57.19 2kvb s ARG 687 Cb -0.37 -3.87 -0.06 0.00 0.52 0.00 0.00 34.95 31.18 2kvb s ARG 687 CO 0.38 -1.04 -0.01 0.00 0.02 0.00 0.00 175.30 174.65 2kvb s ALA 688 N 4.25 2.11 -0.11 2.13 0.00 -1.25 -3.17 121.76 125.72 2kvb s ALA 688 Ca 0.57 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.66 2kvb s ALA 688 Cb -0.18 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2kvb s ALA 688 CO 0.22 -0.20 -0.13 0.99 0.00 0.00 0.00 175.76 176.64 2kvb s THR 689 N -3.25 3.11 -0.20 0.00 2.01 -0.50 0.35 115.64 117.16 2kvb s THR 689 Ca 0.31 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2kvb s THR 689 Cb 0.06 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.32 2kvb s THR 689 CO 0.11 0.54 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.24 2kvb s LEU 690 N 0.06 2.36 -0.24 4.42 1.98 0.15 -1.71 118.68 125.70 2kvb s LEU 690 Ca -0.05 -0.87 -0.09 0.00 -2.89 0.00 0.00 54.13 50.23 2kvb s LEU 690 Cb -0.14 -1.32 -0.04 0.00 0.66 0.00 0.00 46.19 45.34 2kvb s LEU 690 CO 0.04 -0.11 0.12 -0.63 -1.89 0.00 0.00 176.35 173.88 2kvb s ILE 691 N 1.34 4.95 -0.28 6.68 1.01 -0.40 -1.30 121.20 133.20 2kvb s ILE 691 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 2kvb s ILE 691 Cb -0.16 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2kvb s ILE 691 CO -0.09 0.34 0.10 -0.89 0.00 0.00 0.00 174.94 174.40 2kvb s THR 692 N 1.25 4.36 -0.14 2.92 2.01 0.17 -0.75 115.64 125.44 2kvb s THR 692 Ca 0.06 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 2kvb s THR 692 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2kvb s THR 692 CO 0.05 0.20 0.45 -0.36 -0.69 0.00 0.00 174.62 174.27 2kvb s PHE 693 N 1.59 3.47 0.11 4.92 0.40 0.16 0.04 117.98 128.68 2kvb s PHE 693 Ca 0.05 0.81 0.08 0.00 -0.60 0.00 0.00 56.93 57.27 2kvb s PHE 693 Cb -0.16 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 2kvb s PHE 693 CO 0.04 0.12 -0.14 -0.51 0.70 0.00 0.00 175.22 175.43 2kvb s LEU 694 N 0.81 2.86 -0.10 -0.37 1.43 0.12 -3.29 118.68 120.15 2kvb s LEU 694 Ca 0.24 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2kvb s LEU 694 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2kvb s LEU 694 CO 0.09 0.18 1.33 0.00 0.23 0.00 0.00 176.35 178.18 2kvb s ASP 696 N 2.06 2.57 0.27 0.00 -1.08 -1.20 -4.90 116.67 114.38 2kvb s ASP 696 Ca 0.59 -0.53 -0.01 0.00 -0.52 0.00 0.00 52.55 52.08 2kvb s ASP 696 Cb -0.25 -0.86 0.47 0.00 -1.46 0.00 0.00 42.92 40.82 2kvb s ASP 696 CO 0.20 -0.17 1.83 -0.09 0.52 0.00 0.00 175.17 177.46 2kvb h ARG 697 N 8.15 0.92 -2.10 4.34 2.43 -1.94 -3.20 114.38 122.98 2kvb h ARG 697 Ca -0.26 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.68 2kvb h ARG 697 Cb 1.12 -0.21 -0.31 0.00 -0.42 0.00 0.00 29.97 30.15 2kvb h ARG 697 CO 0.40 0.61 -0.50 0.34 -1.51 0.00 0.00 179.97 179.30 2kvb s ASP 698 N -5.69 0.41 0.00 -3.80 2.15 -1.26 -4.85 116.67 103.64 2kvb s ASP 698 Ca -0.12 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2kvb s ASP 698 Cb 0.21 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 2kvb s ASP 698 CO 0.80 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 175.50 2kvb n ALA 699 N 5.36 2.79 0.00 3.66 0.00 -1.26 -5.01 120.51 126.04 2kvb n ALA 699 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kvb n ALA 699 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N 1.92 -0.40 0.12 0.00 0.00 -1.26 -4.88 105.19 100.68 2kvb n GLY 700 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.52 0.00 1.61 3.04 -1.96 -3.33 116.25 117.13 2kvb h VAL 701 Ca 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 2kvb h VAL 701 Cb 0.00 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2kvb h VAL 701 CO 0.00 0.79 0.00 0.61 -1.01 0.00 0.00 177.57 177.96 2kvb n GLY 702 N 0.95 3.07 3.09 3.17 0.00 -1.26 -4.71 105.19 109.50 2kvb n GLY 702 Ca -0.03 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2kvb n GLY 702 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 703 N -2.15 2.31 0.32 1.61 0.08 -1.13 -4.95 117.98 114.07 2kvb s PHE 703 Ca 0.00 -1.18 -0.20 0.00 0.12 0.00 0.00 56.93 55.67 2kvb s PHE 703 Cb 0.00 -1.63 -0.09 0.00 -0.57 0.00 0.00 43.02 40.73 2kvb s PHE 703 CO 0.00 -0.59 0.82 -1.25 -0.10 0.00 0.00 175.22 174.10 2kvb s PRO 704 N 1.06 4.23 -0.02 0.24 0.04 -1.26 -2.28 135.00 137.00 2kvb s PRO 704 Ca -0.03 0.94 0.03 0.00 0.04 0.00 0.00 61.00 61.98 2kvb s PRO 704 Cb -0.14 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 2kvb s PRO 704 CO -0.05 0.20 -0.11 -2.00 0.04 0.00 0.00 177.00 175.09 2kvb s GLU 705 N -2.59 1.02 -0.22 4.56 2.56 0.14 -4.83 118.70 119.34 2kvb s GLU 705 Ca 0.52 -0.38 -0.29 0.00 0.00 0.00 0.00 54.97 54.83 2kvb s GLU 705 Cb -0.13 -0.95 0.01 0.00 2.00 0.00 0.00 34.13 35.05 2kvb s GLU 705 CO 0.18 0.18 1.05 -0.47 -0.56 0.00 0.00 175.26 175.65 2kvb s TYR 706 N -0.02 3.32 0.00 5.30 5.04 -1.26 -0.42 117.35 129.31 2kvb s TYR 706 Ca 0.00 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 2kvb s TYR 706 Cb -0.07 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.96 2kvb s TYR 706 CO 0.00 -0.54 0.00 1.04 -1.34 0.00 0.00 175.55 174.72 2kvb n GLN 707 N 6.27 0.00 -3.66 4.97 1.13 -0.46 -4.97 117.38 120.67 2kvb n GLN 707 Ca 0.12 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.03 2kvb n GLN 707 Cb 0.46 -0.19 -0.14 0.00 0.11 0.00 0.00 30.24 30.47 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2kvb s GLU 708 N -0.47 0.10 -0.12 -1.09 -1.05 -1.14 -5.00 118.70 109.92 2kvb s GLU 708 Ca 0.00 0.64 -0.22 0.00 -0.15 0.00 0.00 54.97 55.24 2kvb s GLU 708 Cb 0.00 -0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.45 2kvb s GLU 708 CO 0.00 -0.32 0.66 -2.00 0.95 0.00 0.00 175.26 174.56 2kvb s GLU 709 N 2.36 4.34 0.00 -4.83 -6.30 -1.26 -2.00 118.70 111.01 2kvb s GLU 709 Ca 0.02 0.75 0.00 0.00 -2.50 0.00 0.00 54.97 53.25 2kvb s GLU 709 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 34.13 30.51 2kvb s GLU 709 CO -0.07 -0.05 0.00 -3.47 0.02 0.00 0.00 175.26 171.68 2kvb n ASP 710 N 4.30 0.00 -1.05 -1.70 2.03 -1.25 -4.89 116.55 113.99 2kvb n ASP 710 Ca -0.02 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.29 2kvb n ASP 710 Cb 0.51 0.16 0.10 0.00 -0.72 0.00 0.00 41.12 41.16 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kvb n ASN 711 N -1.73 2.65 0.00 1.67 0.23 -1.26 -4.80 115.26 112.02 2kvb n ASN 711 Ca 0.00 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 2kvb n ASN 711 Cb 0.00 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.13 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2kvb n SER 712 N 0.13 0.00 -4.19 0.53 7.64 -1.26 -4.95 113.62 111.52 2kvb n SER 712 Ca 0.11 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.74 2kvb n SER 712 Cb 0.63 -0.87 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kvb s THR 713 N -2.95 1.47 -0.25 0.44 2.01 -1.26 -3.85 115.64 111.26 2kvb s THR 713 Ca 0.00 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 2kvb s THR 713 Cb 0.00 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 2kvb s THR 713 CO 0.00 0.34 0.80 -0.31 -0.69 0.00 0.00 174.62 174.76 2kvb s TYR 714 N -0.54 3.30 -0.21 4.92 1.51 0.16 -3.82 117.35 122.67 2kvb s TYR 714 Ca 0.07 1.09 -0.10 0.00 -1.01 0.00 0.00 57.07 57.12 2kvb s TYR 714 Cb -0.07 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.70 2kvb s TYR 714 CO -0.00 -0.40 0.13 -0.80 -1.11 0.00 0.00 175.55 173.38 2kvb s ASN 715 N 1.36 6.09 0.03 2.29 -0.87 -0.85 0.33 114.94 123.33 2kvb s ASN 715 Ca 0.34 0.17 0.08 0.00 -1.57 0.00 0.00 52.86 51.88 2kvb s ASN 715 Cb -0.15 -2.08 -0.03 0.00 -0.02 0.00 0.00 41.25 38.97 2kvb s ASN 715 CO 0.08 0.14 -0.25 -0.36 -2.57 0.00 0.00 177.10 174.14 2kvb s PHE 716 N 0.61 2.17 -0.12 2.20 0.40 -0.42 -1.36 117.98 121.46 2kvb s PHE 716 Ca 0.07 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 2kvb s PHE 716 Cb -0.12 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2kvb s PHE 716 CO 0.00 0.08 0.04 -0.98 0.70 0.00 0.00 175.22 175.06 2kvb s ARG 717 N -1.05 3.39 -0.20 0.44 1.70 0.44 0.41 118.95 124.08 2kvb s ARG 717 Ca 0.10 -0.34 0.02 0.00 -0.47 0.00 0.00 55.73 55.04 2kvb s ARG 717 Cb -0.10 -3.00 0.03 0.00 -0.57 0.00 0.00 34.95 31.32 2kvb s ARG 717 CO 0.01 0.57 -0.16 -0.46 -1.08 0.00 0.00 175.30 174.19 2kvb s TRP 718 N -0.50 2.87 -0.53 5.89 -0.11 0.11 0.26 118.94 126.93 2kvb s TRP 718 Ca 0.10 -1.84 -0.21 0.00 1.22 0.00 0.00 56.10 55.37 2kvb s TRP 718 Cb -0.12 -1.89 0.06 0.00 -1.50 0.00 0.00 33.47 30.02 2kvb s TRP 718 CO 0.02 -0.82 0.74 0.71 -4.62 0.00 0.00 176.95 172.98 2kvb s TYR 719 N 1.25 2.95 -0.00 5.86 2.02 -0.97 0.14 117.35 128.60 2kvb s TYR 719 Ca 0.00 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2kvb s TYR 719 Cb -0.15 -3.77 -0.00 0.00 -0.40 0.00 0.00 41.96 37.64 2kvb s TYR 719 CO -0.10 -1.18 0.01 -0.08 -1.57 0.00 0.00 175.55 172.63 2kvb s THR 720 N 3.09 0.03 0.21 -0.71 -1.32 -1.08 -2.82 115.64 113.04 2kvb s THR 720 Ca 0.20 -0.21 0.23 0.00 -1.21 0.00 0.00 61.69 60.69 2kvb s THR 720 Cb -0.18 -0.09 0.22 0.00 -1.51 0.00 0.00 72.50 70.94 2kvb s THR 720 CO 0.13 -0.12 1.86 -1.28 -2.21 0.00 0.00 174.62 173.01 2kvb h SER 721 N 5.76 0.00 0.49 8.08 0.87 -1.66 -2.95 113.55 124.14 2kvb h SER 721 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kvb h SER 721 CO 0.48 0.24 0.00 -1.22 -0.53 0.00 0.00 176.83 175.80 2kvb n TYR 722 N -3.50 0.26 0.27 2.24 4.02 -1.26 -1.68 117.16 117.51 2kvb n TYR 722 Ca -0.00 0.11 0.09 0.00 -0.01 0.00 0.00 57.90 58.09 2kvb n TYR 722 Cb 0.40 -0.67 0.17 0.00 -0.02 0.00 0.00 39.34 39.22 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvb n ALA 723 N -1.59 2.39 -2.39 -0.72 0.00 -1.12 -4.64 120.51 112.44 2kvb n ALA 723 Ca 0.03 -0.93 -0.31 0.00 0.00 0.00 0.00 53.44 52.22 2kvb n ALA 723 Cb 0.16 -0.69 -0.16 0.00 0.00 0.00 0.00 19.45 18.76 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50