#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 0.66 0.18 0.62 0.00 -1.26 -5.10 121.76 116.86 2kvb s ALA 579 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 2kvb s ALA 579 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2kvb s ALA 579 CO 0.00 -0.32 0.43 -2.00 0.00 0.00 0.00 175.76 173.87 2kvb s GLU 580 N 1.64 3.65 -0.06 0.00 2.56 -1.26 -5.00 118.70 120.24 2kvb s GLU 580 Ca -0.00 -0.02 0.22 0.00 0.00 0.00 0.00 54.97 55.17 2kvb s GLU 580 Cb -0.13 -2.78 0.43 0.00 2.00 0.00 0.00 34.13 33.65 2kvb s GLU 580 CO -0.04 0.41 1.18 0.00 -0.56 0.00 0.00 175.26 176.25 2kvb n ALA 581 N -0.11 2.74 -2.19 6.30 0.00 -1.26 -5.03 120.51 120.96 2kvb n ALA 581 Ca -0.02 -2.63 -0.35 0.00 0.00 0.00 0.00 53.44 50.45 2kvb n ALA 581 Cb 0.52 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 2kvb n ALA 581 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kvb s GLU 582 N -0.97 2.83 -1.28 0.00 2.12 -1.26 -4.88 118.70 115.25 2kvb s GLU 582 Ca 0.35 -0.11 -0.15 0.00 0.36 0.00 0.00 54.97 55.42 2kvb s GLU 582 Cb 0.38 -4.76 0.11 0.00 0.26 0.00 0.00 34.13 30.13 2kvb s GLU 582 CO -0.14 -2.81 1.68 1.19 -0.54 0.00 0.00 175.26 174.64 2kvb n PHE 583 N 12.15 4.56 0.08 5.30 3.72 -1.26 -3.16 117.46 138.84 2kvb n PHE 583 Ca 0.27 -3.04 0.00 0.00 -0.05 0.00 0.00 57.45 54.63 2kvb n PHE 583 Cb 0.50 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kvb n LEU 584 N 6.86 -1.07 0.05 4.37 -0.00 -1.26 -4.81 117.00 121.15 2kvb n LEU 584 Ca 0.44 0.30 0.13 0.00 -0.00 0.00 0.00 56.01 56.88 2kvb n LEU 584 Cb 0.43 1.20 0.37 0.00 -0.00 0.00 0.00 43.42 45.43 2kvb n LEU 584 CO 0.73 -0.35 0.69 -1.54 -0.00 0.00 0.00 177.39 176.92 2kvb n SER 585 N -2.89 0.53 -4.25 1.96 3.41 -1.24 -4.69 113.62 106.45 2kvb n SER 585 Ca 0.00 0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 58.58 2kvb n SER 585 Cb 0.00 -0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 63.50 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kvb s ARG 586 N -3.08 3.13 -0.05 4.33 3.52 -1.19 -0.52 118.95 125.10 2kvb s ARG 586 Ca 0.10 -0.83 0.05 0.00 -0.13 0.00 0.00 55.73 54.93 2kvb s ARG 586 Cb 0.15 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 2kvb s ARG 586 CO 0.63 0.17 -0.22 0.99 -0.81 0.00 0.00 175.30 176.06 2kvb s THR 587 N 0.40 1.77 -0.06 4.11 2.01 0.12 -4.41 115.64 119.58 2kvb s THR 587 Ca -0.16 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 2kvb s THR 587 Cb -0.17 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2kvb s THR 587 CO 0.07 0.50 0.06 -0.70 -0.69 0.00 0.00 174.62 173.85 2kvb s GLU 588 N -0.13 3.09 0.00 4.92 2.56 -1.26 0.66 118.70 128.53 2kvb s GLU 588 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.97 54.56 2kvb s GLU 588 Cb -0.12 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.12 2kvb s GLU 588 CO 0.02 0.69 0.00 0.41 -0.56 0.00 0.00 175.26 175.83 2kvb n GLY 589 N 1.74 2.22 0.17 -1.50 0.00 0.14 -4.72 105.19 103.24 2kvb n GLY 589 Ca -0.17 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.44 0.00 -4.22 1.61 2.03 -1.00 -4.63 116.55 109.90 2kvb n ASP 590 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2kvb n ASP 590 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2kvb n ASP 590 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kvb s ASN 591 N 0.48 5.99 0.00 1.67 4.22 -1.26 -3.35 114.94 122.70 2kvb s ASN 591 Ca 0.00 -2.68 0.00 0.00 -2.14 0.00 0.00 52.86 48.04 2kvb s ASN 591 Cb 0.00 -2.04 0.00 0.00 1.28 0.00 0.00 41.25 40.49 2kvb s ASN 591 CO 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 177.10 174.56 2kvb s THR 593 N -1.27 0.28 -0.03 0.00 -4.23 -1.26 -2.04 115.64 107.08 2kvb s THR 593 Ca 0.00 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 2kvb s THR 593 Cb 0.00 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2kvb s THR 593 CO 0.00 -0.22 -0.11 0.54 -0.54 0.00 0.00 174.62 174.29 2kvb s VAL 594 N -0.82 0.96 -0.14 2.29 0.11 0.00 -2.38 120.40 120.42 2kvb s VAL 594 Ca -0.07 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2kvb s VAL 594 Cb -0.06 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2kvb s VAL 594 CO -0.00 0.29 -0.21 0.12 -3.33 0.00 0.00 175.10 171.97 2kvb s PHE 595 N 0.20 2.67 -0.27 1.54 5.36 -1.26 -0.12 117.98 126.09 2kvb s PHE 595 Ca -0.04 -1.30 -0.06 0.00 -0.96 0.00 0.00 56.93 54.57 2kvb s PHE 595 Cb -0.10 -1.82 -0.00 0.00 -0.34 0.00 0.00 43.02 40.77 2kvb s PHE 595 CO 0.01 -0.59 0.06 0.34 -1.46 0.00 0.00 175.22 173.58 2kvb s ASP 596 N 0.78 4.98 0.20 6.13 2.15 -0.99 -4.86 116.67 125.06 2kvb s ASP 596 Ca -0.08 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.30 2kvb s ASP 596 Cb -0.16 -1.86 0.13 0.00 -0.30 0.00 0.00 42.92 40.73 2kvb s ASP 596 CO -0.01 -0.13 1.55 0.28 -0.17 0.00 0.00 175.17 176.69 2kvb h SER 597 N 8.21 0.72 -0.46 -0.34 0.02 -1.95 0.12 113.55 119.87 2kvb h SER 597 Ca -0.34 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.18 2kvb h SER 597 Cb 1.14 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2kvb h SER 597 CO 0.60 1.04 -0.10 0.06 -1.14 0.00 0.00 176.83 177.28 2kvb h GLN 598 N 0.55 0.88 0.00 3.45 3.07 -1.96 -2.83 115.11 118.27 2kvb h GLN 598 Ca 0.05 -0.33 -0.05 0.00 0.09 0.00 0.00 58.65 58.40 2kvb h GLN 598 Cb 0.94 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.44 2kvb h GLN 598 CO 0.09 0.97 -0.60 0.00 0.09 0.00 0.00 178.83 179.37 2kvb h ALA 599 N 0.88 0.73 -0.32 0.06 0.00 -1.99 -3.47 119.26 115.15 2kvb h ALA 599 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2kvb h ALA 599 Cb 0.64 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kvb h ALA 599 CO 0.04 0.31 -0.10 0.41 0.00 0.00 0.00 179.25 179.91 2kvb n GLY 600 N 1.20 0.70 3.13 0.00 0.00 0.40 -5.02 105.19 105.61 2kvb n GLY 600 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.21 1.37 -0.17 1.61 0.08 -1.10 -5.00 117.98 112.56 2kvb s PHE 601 Ca 0.00 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.72 2kvb s PHE 601 Cb 0.00 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2kvb s PHE 601 CO 0.00 -0.02 0.05 -1.54 -0.10 0.00 0.00 175.22 173.62 2kvb s SER 602 N -0.43 5.56 -0.18 1.36 1.04 -1.26 -2.35 113.70 117.44 2kvb s SER 602 Ca 0.06 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2kvb s SER 602 Cb -0.06 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.15 2kvb s SER 602 CO -0.00 0.20 -0.17 -0.36 0.98 0.00 0.00 173.24 173.89 2kvb s PHE 603 N 0.20 2.80 -0.27 5.02 0.40 0.83 -4.99 117.98 121.97 2kvb s PHE 603 Ca 0.04 -1.40 -0.06 0.00 -0.60 0.00 0.00 56.93 54.92 2kvb s PHE 603 Cb -0.12 -1.93 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2kvb s PHE 603 CO 0.01 -0.69 0.04 0.16 0.70 0.00 0.00 175.22 175.44 2kvb s ASP 604 N 1.19 4.88 -0.14 1.36 -4.77 -1.26 -0.82 116.67 117.10 2kvb s ASP 604 Ca 0.02 -0.65 0.16 0.00 -3.30 0.00 0.00 52.55 48.78 2kvb s ASP 604 Cb -0.14 -1.83 0.59 0.00 -1.09 0.00 0.00 42.92 40.46 2kvb s ASP 604 CO -0.08 -0.14 1.51 0.18 0.70 0.00 0.00 175.17 177.33 2kvb n LEU 605 N 4.83 4.29 -0.24 2.11 4.77 -0.87 -4.54 117.00 127.36 2kvb n LEU 605 Ca -0.15 -2.70 -0.00 0.00 -0.03 0.00 0.00 56.01 53.12 2kvb n LEU 605 Cb 0.48 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.16 2kvb n LEU 605 CO 0.30 0.71 1.08 0.74 -1.33 0.00 0.00 177.39 178.89 2kvb h THR 606 N 2.79 0.92 0.00 -5.08 2.02 -1.92 -1.04 112.91 110.59 2kvb h THR 606 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2kvb h THR 606 Cb 1.43 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2kvb h THR 606 CO 0.24 0.12 0.00 -0.65 0.37 0.00 0.00 175.52 175.60 2kvb h PRO 607 N 0.65 0.00 0.00 6.66 0.11 -1.95 -2.41 132.00 135.07 2kvb h PRO 607 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2kvb h PRO 607 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2kvb h PRO 607 CO -0.22 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.50 2kvb h LEU 608 N 0.00 0.00 -9.65 2.35 4.07 -1.52 -3.45 115.31 107.11 2kvb h LEU 608 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 2kvb h LEU 608 Cb 0.14 0.00 0.05 0.00 1.08 0.00 0.00 40.66 41.93 2kvb h LEU 608 CO 0.00 0.00 0.84 -0.89 -1.08 0.00 0.00 178.44 177.31 2kvb s THR 609 N -3.20 2.64 0.02 0.22 2.01 -0.91 -4.58 115.64 111.84 2kvb s THR 609 Ca 0.08 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.61 2kvb s THR 609 Cb 0.10 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 2kvb s THR 609 CO 0.58 0.05 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.88 2kvb s LYS 610 N 0.61 1.03 0.16 4.92 1.02 -1.26 -4.99 119.74 121.23 2kvb s LYS 610 Ca 0.66 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 55.92 2kvb s LYS 610 Cb -0.43 -1.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.88 2kvb s LYS 610 CO 0.36 0.26 1.46 -0.22 -0.92 0.00 0.00 175.35 176.29 2kvb h LYS 611 N 5.26 0.70 0.00 1.68 1.63 -1.95 -2.47 116.57 121.42 2kvb h LYS 611 Ca -0.37 -0.44 -0.05 0.00 -0.85 0.00 0.00 60.65 58.94 2kvb h LYS 611 Cb 1.17 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2kvb h LYS 611 CO 0.46 1.06 -0.26 0.22 -3.45 0.00 0.00 179.45 177.48 2kvb h ASP 612 N 0.54 0.00 -2.30 4.20 3.58 -1.96 -3.38 116.42 117.10 2kvb h ASP 612 Ca 0.01 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.52 2kvb h ASP 612 Cb 1.12 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2kvb h ASP 612 CO 0.11 0.26 -0.08 0.00 -2.88 0.00 0.00 179.24 176.65 2kvb n ALA 613 N -2.21 -0.58 -2.47 -0.78 0.00 -0.93 -4.87 120.51 108.67 2kvb n ALA 613 Ca 0.01 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2kvb n ALA 613 Cb 0.50 -0.20 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.42 2.63 -0.02 0.00 1.51 0.60 -4.92 117.35 116.74 2kvb s TYR 614 Ca 0.00 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 2kvb s TYR 614 Cb 0.00 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2kvb s TYR 614 CO 0.00 0.21 -0.15 0.21 -1.11 0.00 0.00 175.55 174.71 2kvb s LYS 615 N -1.06 1.32 -0.03 -0.62 2.20 -1.26 -0.25 119.74 120.05 2kvb s LYS 615 Ca 0.13 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 2kvb s LYS 615 Cb -0.11 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 34.95 2kvb s LYS 615 CO 0.03 0.31 -0.25 0.08 -0.36 0.00 0.00 175.35 175.15 2kvb s VAL 616 N -0.26 2.00 0.04 4.02 1.01 0.45 -4.95 120.40 122.70 2kvb s VAL 616 Ca 0.04 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.01 2kvb s VAL 616 Cb -0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2kvb s VAL 616 CO -0.00 0.56 -0.14 -1.61 0.00 0.00 0.00 175.10 173.92 2kvb s GLU 617 N -0.47 2.23 0.00 2.72 2.02 -1.26 0.43 118.70 124.36 2kvb s GLU 617 Ca 0.06 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2kvb s GLU 617 Cb -0.11 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2kvb s GLU 617 CO 0.00 0.55 0.00 0.25 0.02 0.00 0.00 175.26 176.09 2kvb n THR 618 N 1.45 0.00 0.45 3.63 -2.24 0.10 -4.98 114.28 112.69 2kvb n THR 618 Ca -0.16 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 2kvb n THR 618 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 -1.19 0.00 3.42 5.19 -2.03 -3.36 116.42 118.44 2kvb h ASP 619 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2kvb h ASP 619 Cb 0.00 0.34 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2kvb h ASP 619 CO 0.00 -0.75 0.00 0.29 -3.12 0.00 0.00 179.24 175.66 2kvb n LYS 620 N -5.52 0.20 -4.30 3.56 4.01 -1.26 -4.99 118.16 109.86 2kvb n LYS 620 Ca -0.15 -0.77 -0.16 0.00 -0.51 0.00 0.00 58.31 56.72 2kvb n LYS 620 Cb 0.50 -0.98 -0.10 0.00 -0.51 0.00 0.00 35.03 33.94 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2kvb s TYR 621 N -0.29 1.48 0.06 2.13 1.51 -1.26 0.18 117.35 121.16 2kvb s TYR 621 Ca 0.00 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 2kvb s TYR 621 Cb 0.00 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 2kvb s TYR 621 CO 0.00 0.09 -0.16 -1.83 -1.11 0.00 0.00 175.55 172.55 2kvb s GLU 622 N -3.77 0.97 -0.19 -0.62 -1.05 -0.81 0.00 118.70 113.23 2kvb s GLU 622 Ca 0.22 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 54.15 2kvb s GLU 622 Cb 0.03 -1.02 -0.00 0.00 -0.44 0.00 0.00 34.13 32.70 2kvb s GLU 622 CO 0.05 0.24 -0.10 -0.06 0.95 0.00 0.00 175.26 176.34 2kvb s PHE 623 N -1.00 2.88 -0.18 4.83 0.08 0.17 -2.39 117.98 122.36 2kvb s PHE 623 Ca 0.02 -1.05 -0.03 0.00 0.12 0.00 0.00 56.93 55.99 2kvb s PHE 623 Cb -0.09 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2kvb s PHE 623 CO 0.02 -0.54 -0.08 -1.58 -0.10 0.00 0.00 175.22 172.94 2kvb s HIS 624 N 1.19 2.91 0.06 0.36 2.46 0.04 -0.41 115.29 121.90 2kvb s HIS 624 Ca 0.02 -0.81 0.01 0.00 0.47 0.00 0.00 55.06 54.74 2kvb s HIS 624 Cb -0.14 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 2kvb s HIS 624 CO -0.04 -0.40 -0.05 0.96 -2.47 0.00 0.00 174.74 172.74 2kvb s ILE 625 N 1.01 0.39 0.10 0.89 -4.36 0.66 -0.39 121.20 119.50 2kvb s ILE 625 Ca -0.00 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2kvb s ILE 625 Cb -0.15 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 2kvb s ILE 625 CO -0.00 -0.74 -0.09 0.21 0.24 0.00 0.00 174.94 174.55 2kvb s ASN 626 N -2.39 1.33 -0.47 4.36 2.47 -0.65 -0.29 114.94 119.29 2kvb s ASN 626 Ca 0.00 -0.86 -0.27 0.00 0.42 0.00 0.00 52.86 52.15 2kvb s ASN 626 Cb 0.00 0.03 0.03 0.00 -1.45 0.00 0.00 41.25 39.86 2kvb s ASN 626 CO -0.05 -0.32 1.01 -0.69 -3.72 0.00 0.00 177.10 173.33 2kvb s VAL 627 N -2.78 4.36 0.54 -5.21 1.01 -1.26 -4.81 120.40 112.25 2kvb s VAL 627 Ca 0.07 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2kvb s VAL 627 Cb -0.01 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2kvb s VAL 627 CO -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 175.10 174.16 2kvb n GLY 629 N -2.08 -0.50 3.96 0.00 0.00 0.84 -4.85 105.19 102.55 2kvb n GLY 629 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 2.72 -0.12 1.61 0.05 -1.26 -3.06 135.00 134.94 2kvb s PRO 630 Ca 0.00 -0.65 -0.02 0.00 0.05 0.00 0.00 61.00 60.38 2kvb s PRO 630 Cb 0.00 -2.50 -0.03 0.00 0.05 0.00 0.00 34.50 32.03 2kvb s PRO 630 CO 0.00 -0.58 -0.04 0.54 0.05 0.00 0.00 177.00 176.97 2kvb s VAL 631 N -2.71 3.87 -1.10 -0.36 0.11 0.96 -4.77 120.40 116.39 2kvb s VAL 631 Ca 0.54 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 2kvb s VAL 631 Cb -0.10 -2.66 0.26 0.00 -1.53 0.00 0.00 36.38 32.35 2kvb s VAL 631 CO 0.39 0.54 1.13 -0.55 -3.33 0.00 0.00 175.10 173.28 2kvb s SER 632 N -0.10 7.24 -0.10 3.54 0.15 -1.26 -4.65 113.70 118.52 2kvb s SER 632 Ca 0.02 -3.43 0.04 0.00 0.70 0.00 0.00 55.95 53.28 2kvb s SER 632 Cb -0.13 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2kvb s SER 632 CO 0.03 -0.38 -0.24 -0.69 1.20 0.00 0.00 173.24 173.16 2kvb s VAL 633 N -0.71 2.10 0.00 4.45 1.01 -1.26 -4.69 120.40 121.29 2kvb s VAL 633 Ca 0.32 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2kvb s VAL 633 Cb -0.09 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 2kvb s VAL 633 CO -0.07 0.56 2.08 0.61 0.00 0.00 0.00 175.10 178.28 2kvb n GLY 634 N 3.53 2.32 0.00 4.51 0.00 -1.26 -2.36 105.19 111.93 2kvb n GLY 634 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 1.85 0.00 -2.64 4.61 0.00 -1.26 -5.12 120.51 117.95 2kvb n ALA 635 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2kvb n ALA 635 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 0.54 2.59 0.10 0.00 -0.04 -1.26 -4.67 135.00 132.25 2kvb n PRO 637 Ca -0.18 0.93 0.06 0.00 -0.04 0.00 0.00 63.50 64.27 2kvb n PRO 637 Cb 0.59 -2.72 0.34 0.00 -0.04 0.00 0.00 33.50 31.67 2kvb n PRO 637 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kvb n PRO 638 N 3.08 0.08 0.00 0.54 -0.02 -1.26 -0.97 135.00 136.46 2kvb n PRO 638 Ca 0.13 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 2kvb n PRO 638 Cb 0.34 -1.81 0.74 0.00 -0.02 0.00 0.00 33.50 32.75 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kvb n ASP 639 N -1.93 0.00 -4.70 2.55 8.00 -1.26 -4.58 116.55 114.63 2kvb n ASP 639 Ca -0.01 -0.18 -0.32 0.00 0.71 0.00 0.00 54.79 54.99 2kvb n ASP 639 Cb 0.07 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kvb s SER 640 N -2.53 5.18 -0.00 -2.24 1.04 -0.14 0.09 113.70 115.08 2kvb s SER 640 Ca 0.29 -0.01 0.19 0.00 0.48 0.00 0.00 55.95 56.90 2kvb s SER 640 Cb 0.20 -1.36 -0.22 0.00 0.10 0.00 0.00 66.02 64.74 2kvb s SER 640 CO 0.44 0.27 0.75 0.61 0.98 0.00 0.00 173.24 176.29 2kvb n GLY 641 N 1.26 -0.81 2.87 7.32 0.00 0.50 -0.03 105.19 116.30 2kvb n GLY 641 Ca -0.14 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.88 -0.19 -0.01 4.61 0.00 -1.14 -1.64 121.76 120.52 2kvb s ALA 642 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2kvb s ALA 642 Cb 0.14 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2kvb s ALA 642 CO 0.79 -0.37 0.01 0.00 0.00 0.00 0.00 175.76 176.18 2kvb s GLN 644 N 0.42 2.81 -0.03 0.00 -2.07 -0.69 -0.78 119.66 119.31 2kvb s GLN 644 Ca -0.04 -0.59 0.01 0.00 -1.82 0.00 0.00 55.36 52.93 2kvb s GLN 644 Cb -0.05 -2.68 0.02 0.00 -1.09 0.00 0.00 33.01 29.20 2kvb s GLN 644 CO -0.01 0.63 -0.04 0.54 -1.32 0.00 0.00 175.29 175.09 2kvb s VAL 645 N -1.06 0.47 -0.21 3.63 0.11 -1.01 -0.23 120.40 122.11 2kvb s VAL 645 Ca 0.19 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 2kvb s VAL 645 Cb -0.11 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2kvb s VAL 645 CO 0.09 0.20 1.09 -0.55 -3.33 0.00 0.00 175.10 172.60 2kvb s SER 646 N 0.70 7.07 0.49 3.54 0.15 0.62 -1.93 113.70 124.34 2kvb s SER 646 Ca -0.09 1.47 0.28 0.00 0.70 0.00 0.00 55.95 58.31 2kvb s SER 646 Cb -0.12 -2.54 1.10 0.00 -1.71 0.00 0.00 66.02 62.75 2kvb s SER 646 CO -0.00 -0.68 1.89 0.08 1.20 0.00 0.00 173.24 175.73 2kvb h ARG 647 N 7.61 0.00 0.04 5.44 0.11 -0.58 0.29 114.38 127.30 2kvb h ARG 647 Ca -0.21 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.77 2kvb h ARG 647 Cb 1.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2kvb h ARG 647 CO 0.97 0.11 -0.48 1.03 0.10 0.00 0.00 179.97 181.69 2kvb h SER 648 N 0.00 0.14 0.89 0.08 0.87 -1.87 -3.39 113.55 110.27 2kvb h SER 648 Ca -0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2kvb h SER 648 Cb 0.65 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2kvb h SER 648 CO 0.01 1.21 -1.09 0.47 -0.53 0.00 0.00 176.83 176.90 2kvb n ASP 649 N -4.41 0.76 -0.86 6.23 9.92 -1.16 -4.95 116.55 122.07 2kvb n ASP 649 Ca -0.15 0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 2kvb n ASP 649 Cb 0.62 0.60 -0.05 0.00 -0.64 0.00 0.00 41.12 41.65 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kvb n ARG 650 N -2.61 -1.08 -4.06 -1.24 3.00 0.10 -4.99 116.66 105.78 2kvb n ARG 650 Ca -0.00 0.86 -0.23 0.00 -0.01 0.00 0.00 57.85 58.47 2kvb n ARG 650 Cb 0.55 -4.95 -0.04 0.00 0.00 0.00 0.00 32.46 28.01 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 -2.82 3.08 0.07 5.56 1.02 -1.25 -4.88 119.74 120.52 2kvb s LYS 651 Ca 0.00 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.14 2kvb s LYS 651 Cb 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2kvb s LYS 651 CO 0.00 0.44 -0.11 -1.54 -0.92 0.00 0.00 175.35 173.23 2kvb s SER 652 N -3.59 1.31 0.18 2.83 1.04 -1.26 -0.28 113.70 113.93 2kvb s SER 652 Ca 0.33 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 56.17 2kvb s SER 652 Cb -0.09 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2kvb s SER 652 CO 0.26 -0.19 -0.15 0.26 0.98 0.00 0.00 173.24 174.40 2kvb s TRP 653 N -1.72 1.63 -0.21 5.02 0.51 0.68 -4.98 118.94 119.88 2kvb s TRP 653 Ca -0.02 -0.57 -0.15 0.00 -2.12 0.00 0.00 56.10 53.25 2kvb s TRP 653 Cb -0.07 -0.79 -0.04 0.00 -0.81 0.00 0.00 33.47 31.75 2kvb s TRP 653 CO 0.01 0.29 0.34 1.21 -0.51 0.00 0.00 176.95 178.29 2kvb s ASN 654 N -3.02 6.36 -0.12 2.95 3.84 -1.26 -1.71 114.94 121.98 2kvb s ASN 654 Ca 0.18 0.42 0.15 0.00 0.21 0.00 0.00 52.86 53.82 2kvb s ASN 654 Cb -0.02 -2.20 0.45 0.00 -0.55 0.00 0.00 41.25 38.93 2kvb s ASN 654 CO 0.05 -0.04 1.36 0.18 -2.79 0.00 0.00 177.10 175.86 2kvb n LEU 655 N 4.41 3.53 0.00 3.21 4.77 0.19 -1.39 117.00 131.71 2kvb n LEU 655 Ca -0.10 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 2kvb n LEU 655 Cb 0.51 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kvb n LEU 655 CO 0.39 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2kvb n GLY 656 N -0.26 3.31 3.70 -0.72 0.00 -1.20 -1.10 105.19 108.92 2kvb n GLY 656 Ca 0.18 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.91 1.12 -0.21 1.61 0.52 -1.26 -0.37 118.95 118.46 2kvb s ARG 657 Ca 0.00 0.83 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 2kvb s ARG 657 Cb 0.00 -1.79 -0.08 0.00 0.52 0.00 0.00 34.95 33.60 2kvb s ARG 657 CO 0.00 -2.34 2.13 -1.13 0.02 0.00 0.00 175.30 173.99 2kvb n SER 658 N -3.95 3.09 -3.92 0.23 3.41 0.11 -4.00 113.62 108.59 2kvb n SER 658 Ca 0.07 0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2kvb n SER 658 Cb 0.55 -1.45 -0.09 0.00 -0.26 0.00 0.00 64.21 62.97 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 6.98 0.19 -0.04 4.04 2.47 -1.17 -4.82 114.94 122.59 2kvb s ASN 659 Ca 1.01 -0.60 0.05 0.00 0.42 0.00 0.00 52.86 53.74 2kvb s ASN 659 Cb -0.54 0.26 0.08 0.00 -1.45 0.00 0.00 41.25 39.60 2kvb s ASN 659 CO 0.42 -0.58 0.93 0.00 -3.72 0.00 0.00 177.10 174.16 2kvb n ALA 660 N 0.47 1.86 -2.38 1.71 0.00 -1.26 -0.11 120.51 120.79 2kvb n ALA 660 Ca -0.17 -1.35 -0.41 0.00 0.00 0.00 0.00 53.44 51.50 2kvb n ALA 660 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.11 3.28 -0.13 0.00 -0.14 -1.21 -1.52 119.74 118.91 2kvb s LYS 661 Ca 0.09 0.45 -0.18 0.00 -1.36 0.00 0.00 55.97 54.97 2kvb s LYS 661 Cb 0.08 -4.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.05 2kvb s LYS 661 CO 0.01 -1.97 0.48 -0.51 -0.76 0.00 0.00 175.35 172.60 2kvb s LEU 662 N 6.16 4.26 -0.06 3.17 1.43 -1.26 -1.90 118.68 130.48 2kvb s LEU 662 Ca 0.53 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.41 2kvb s LEU 662 Cb -0.11 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2kvb s LEU 662 CO 0.25 -0.01 0.01 -0.44 0.23 0.00 0.00 176.35 176.39 2kvb s SER 663 N 0.67 5.30 -0.21 2.29 0.01 0.23 0.25 113.70 122.24 2kvb s SER 663 Ca 0.26 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.61 2kvb s SER 663 Cb -0.15 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.59 2kvb s SER 663 CO 0.10 0.35 -0.08 -0.47 0.41 0.00 0.00 173.24 173.55 2kvb s TYR 664 N -0.96 2.92 -0.15 2.43 6.14 0.21 0.59 117.35 128.52 2kvb s TYR 664 Ca 0.16 -1.05 -0.01 0.00 0.64 0.00 0.00 57.07 56.81 2kvb s TYR 664 Cb -0.11 -2.06 -0.01 0.00 0.42 0.00 0.00 41.96 40.20 2kvb s TYR 664 CO 0.05 -0.57 -0.11 -0.47 0.64 0.00 0.00 175.55 175.09 2kvb s TYR 665 N 1.38 2.85 -0.48 4.97 5.04 -0.88 0.12 117.35 130.36 2kvb s TYR 665 Ca 0.05 -0.76 -0.46 0.00 -2.44 0.00 0.00 57.07 53.46 2kvb s TYR 665 Cb -0.14 -1.91 -0.19 0.00 0.35 0.00 0.00 41.96 40.06 2kvb s TYR 665 CO -0.05 -0.32 1.67 -3.47 -1.34 0.00 0.00 175.55 172.05 2kvb n ASP 666 N 3.88 1.28 0.00 4.32 2.03 0.33 0.25 116.55 128.64 2kvb n ASP 666 Ca -0.18 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2kvb n ASP 666 Cb 0.52 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 4.40 3.12 1.70 0.27 0.00 -1.26 -5.03 105.19 108.38 2kvb n GLY 667 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 2kvb n GLY 667 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kvb n MET 668 N -1.66 0.46 -4.66 1.61 0.00 0.14 -4.85 117.12 108.16 2kvb n MET 668 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 57.70 56.34 2kvb n MET 668 Cb 0.00 1.29 -0.15 0.00 0.00 0.00 0.00 33.22 34.36 2kvb n MET 668 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2kvb s ILE 669 N -2.59 1.13 0.12 3.17 1.09 -1.22 -2.07 121.20 120.84 2kvb s ILE 669 Ca 0.10 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 59.11 2kvb s ILE 669 Cb -0.02 -0.95 -0.04 0.00 -1.06 0.00 0.00 42.46 40.40 2kvb s ILE 669 CO 0.07 0.32 -0.18 -1.10 -0.10 0.00 0.00 174.94 173.96 2kvb s GLN 670 N -0.29 1.11 -0.14 2.79 -0.21 0.20 0.01 119.66 123.13 2kvb s GLN 670 Ca 0.05 -1.23 0.02 0.00 0.02 0.00 0.00 55.36 54.22 2kvb s GLN 670 Cb -0.06 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 32.76 2kvb s GLN 670 CO -0.00 0.26 -0.22 -1.17 -2.12 0.00 0.00 175.29 172.04 2kvb s LEU 671 N -2.25 2.13 -0.22 2.90 0.20 0.57 0.76 118.68 122.76 2kvb s LEU 671 Ca 0.09 -0.60 -0.07 0.00 0.69 0.00 0.00 54.13 54.23 2kvb s LEU 671 Cb -0.07 -1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 2kvb s LEU 671 CO 0.04 0.08 0.07 -0.89 -0.29 0.00 0.00 176.35 175.36 2kvb s THR 672 N 0.84 4.51 0.45 3.68 2.01 -0.80 -1.34 115.64 125.00 2kvb s THR 672 Ca -0.06 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.90 2kvb s THR 672 Cb -0.15 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2kvb s THR 672 CO -0.02 0.38 0.51 -0.31 -0.69 0.00 0.00 174.62 174.48 2kvb s TYR 673 N 1.14 2.44 0.91 4.92 2.02 -0.53 -4.38 117.35 123.88 2kvb s TYR 673 Ca 0.04 -0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 2kvb s TYR 673 Cb -0.14 -2.22 0.18 0.00 -0.40 0.00 0.00 41.96 39.38 2kvb s TYR 673 CO 0.03 -0.41 1.26 1.03 -1.57 0.00 0.00 175.55 175.89 2kvb s ARG 674 N -4.30 0.87 0.37 -0.62 1.81 -1.26 -4.56 118.95 111.26 2kvb s ARG 674 Ca 0.51 -0.53 0.12 0.00 -1.72 0.00 0.00 55.73 54.11 2kvb s ARG 674 Cb -0.06 -1.94 0.92 0.00 -0.45 0.00 0.00 34.95 33.42 2kvb s ARG 674 CO 0.31 -2.21 1.84 0.38 -0.68 0.00 0.00 175.30 174.94 2kvb h ASP 675 N -1.42 0.57 0.00 0.23 2.03 -1.92 -3.33 116.42 112.59 2kvb h ASP 675 Ca -0.43 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2kvb h ASP 675 Cb 1.24 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kvb h ASP 675 CO 0.39 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 2kvb n GLY 676 N -1.45 1.68 2.87 7.15 0.00 -1.26 -2.23 105.19 111.95 2kvb n GLY 676 Ca 0.20 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 0.34 0.67 2.61 2.01 -0.49 -4.91 115.64 115.88 2kvb s THR 677 Ca 0.00 -0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2kvb s THR 677 Cb 0.00 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.13 2kvb s THR 677 CO 0.00 0.17 1.12 -2.16 -0.69 0.00 0.00 174.62 173.06 2kvb s PRO 678 N 0.79 2.70 0.00 4.92 0.04 -1.26 -1.64 135.00 140.56 2kvb s PRO 678 Ca -0.09 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2kvb s PRO 678 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2kvb s PRO 678 CO -0.01 -1.34 0.17 0.66 0.04 0.00 0.00 177.00 176.53 2kvb n TYR 679 N -2.46 0.00 0.00 0.56 4.02 0.24 -4.79 117.16 114.73 2kvb n TYR 679 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2kvb n TYR 679 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kvb n ASN 680 N -0.32 0.00 -4.91 7.72 6.94 -1.26 -5.05 115.26 118.38 2kvb n ASN 680 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 2kvb n ASN 680 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 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 5.46 0.31 0.53 4.22 -1.26 -4.98 114.94 119.22 2kvb s ASN 681 Ca 0.00 -0.45 0.01 0.00 -2.14 0.00 0.00 52.86 50.28 2kvb s ASN 681 Cb 0.00 -0.94 0.54 0.00 1.28 0.00 0.00 41.25 42.14 2kvb s ASN 681 CO 0.00 -0.47 1.92 -0.08 -2.04 0.00 0.00 177.10 176.44 2kvb h GLU 682 N 1.06 0.98 0.00 3.55 4.81 -2.02 -0.32 114.58 122.63 2kvb h GLU 682 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2kvb h GLU 682 Cb 1.26 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2kvb h GLU 682 CO 0.55 0.65 0.00 1.17 -0.73 0.00 0.00 179.01 180.65 2kvb n LYS 683 N -4.48 0.24 -3.43 1.92 4.81 -1.26 -4.95 118.16 111.01 2kvb n LYS 683 Ca 0.13 0.31 -0.27 0.00 -0.87 0.00 0.00 58.31 57.61 2kvb n LYS 683 Cb 0.18 -1.85 0.02 0.00 0.02 0.00 0.00 35.03 33.41 2kvb n LYS 683 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2kvb n ARG 684 N -2.28 -1.87 -3.61 1.64 0.63 -0.13 -4.94 116.66 106.10 2kvb n ARG 684 Ca 0.04 1.39 -0.38 0.00 -0.92 0.00 0.00 57.85 57.98 2kvb n ARG 684 Cb 0.35 -3.04 -0.11 0.00 0.45 0.00 0.00 32.46 30.10 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2kvb s THR 685 N -2.17 5.15 0.28 5.15 2.01 -1.26 -4.92 115.64 119.88 2kvb s THR 685 Ca 0.24 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2kvb s THR 685 Cb -0.03 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 2kvb s THR 685 CO 0.85 0.22 1.55 -2.16 -0.69 0.00 0.00 174.62 174.40 2kvb s PRO 686 N 1.73 4.17 -0.20 4.92 0.04 -1.26 -0.59 135.00 143.81 2kvb s PRO 686 Ca 0.07 2.49 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 2kvb s PRO 686 Cb -0.16 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2kvb s PRO 686 CO 0.10 -0.57 0.51 1.03 0.04 0.00 0.00 177.00 178.12 2kvb s ARG 687 N -0.43 4.19 0.28 4.56 0.52 -0.65 -4.76 118.95 122.66 2kvb s ARG 687 Ca 0.62 0.41 0.05 0.00 -0.52 0.00 0.00 55.73 56.29 2kvb s ARG 687 Cb -0.46 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.39 2kvb s ARG 687 CO 0.46 -0.15 -0.02 0.00 0.02 0.00 0.00 175.30 175.61 2kvb s ALA 688 N 1.64 2.23 -0.05 2.13 0.00 -0.76 -3.60 121.76 123.34 2kvb s ALA 688 Ca 0.24 -1.91 0.05 0.00 0.00 0.00 0.00 51.96 50.34 2kvb s ALA 688 Cb -0.15 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2kvb s ALA 688 CO 0.10 -0.17 -0.20 0.99 0.00 0.00 0.00 175.76 176.47 2kvb s THR 689 N -3.17 1.68 -0.18 0.00 2.01 -0.26 0.38 115.64 116.11 2kvb s THR 689 Ca 0.31 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2kvb s THR 689 Cb 0.05 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.16 2kvb s THR 689 CO 0.12 0.48 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.22 2kvb s LEU 690 N 0.00 1.94 -0.22 4.42 1.98 0.12 -1.45 118.68 125.47 2kvb s LEU 690 Ca -0.05 -0.75 -0.09 0.00 -2.89 0.00 0.00 54.13 50.34 2kvb s LEU 690 Cb -0.13 -1.10 -0.05 0.00 0.66 0.00 0.00 46.19 45.58 2kvb s LEU 690 CO 0.03 -0.15 0.12 -0.63 -1.89 0.00 0.00 176.35 173.83 2kvb s ILE 691 N 1.50 5.13 -0.24 6.68 1.01 -0.45 -1.88 121.20 132.95 2kvb s ILE 691 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2kvb s ILE 691 Cb -0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2kvb s ILE 691 CO -0.08 0.38 0.04 -0.89 0.00 0.00 0.00 174.94 174.39 2kvb s THR 692 N 0.87 4.12 -0.20 2.92 2.01 0.77 -0.32 115.64 125.81 2kvb s THR 692 Ca 0.06 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 2kvb s THR 692 Cb -0.13 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 2kvb s THR 692 CO 0.03 0.36 0.12 -0.36 -0.69 0.00 0.00 174.62 174.08 2kvb s PHE 693 N 1.52 3.39 0.12 4.92 0.40 0.10 -0.11 117.98 128.32 2kvb s PHE 693 Ca 0.06 0.30 0.08 0.00 -0.60 0.00 0.00 56.93 56.76 2kvb s PHE 693 Cb -0.15 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 2kvb s PHE 693 CO 0.02 0.27 -0.13 -0.51 0.70 0.00 0.00 175.22 175.57 2kvb s LEU 694 N 0.35 2.89 -0.27 -0.37 2.01 0.17 -3.41 118.68 120.04 2kvb s LEU 694 Ca 0.07 -0.48 -0.28 0.00 0.01 0.00 0.00 54.13 53.45 2kvb s LEU 694 Cb -0.11 -1.69 0.01 0.00 0.01 0.00 0.00 46.19 44.41 2kvb s LEU 694 CO -0.02 0.17 1.00 0.00 1.01 0.00 0.00 176.35 178.51 2kvb s ASP 696 N 1.44 0.53 0.32 0.00 -1.08 -1.16 -4.90 116.67 111.81 2kvb s ASP 696 Ca 0.42 -0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.53 2kvb s ASP 696 Cb -0.14 -0.04 0.16 0.00 -1.46 0.00 0.00 42.92 41.44 2kvb s ASP 696 CO 0.10 0.02 1.33 0.03 0.52 0.00 0.00 175.17 177.17 2kvb h ARG 697 N 5.84 0.00 -3.23 4.34 3.08 -1.95 -3.09 114.38 119.37 2kvb h ARG 697 Ca -0.28 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.29 2kvb h ARG 697 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.84 2kvb h ARG 697 CO 0.49 0.05 -0.75 -0.51 -1.07 0.00 0.00 179.97 178.17 2kvb s ASP 698 N -5.87 2.55 0.24 7.04 1.01 -1.26 -4.87 116.67 115.51 2kvb s ASP 698 Ca 0.03 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.60 2kvb s ASP 698 Cb 0.07 -0.37 0.00 0.00 1.01 0.00 0.00 42.92 43.63 2kvb s ASP 698 CO 0.73 -0.33 0.00 0.00 0.21 0.00 0.00 175.17 175.78 2kvb n ALA 699 N 5.20 0.00 0.00 5.23 0.00 -1.26 -5.04 120.51 124.63 2kvb n ALA 699 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kvb n ALA 699 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.32 0.27 0.16 0.00 0.00 -1.26 -4.50 105.19 98.54 2kvb n GLY 700 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 1.29 0.00 1.61 3.04 -1.99 -3.27 116.25 116.94 2kvb h VAL 701 Ca 0.00 -1.78 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 2kvb h VAL 701 Cb 0.00 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2kvb h VAL 701 CO 0.00 0.50 0.00 0.61 -1.01 0.00 0.00 177.57 177.67 2kvb n GLY 702 N 0.04 3.79 3.08 3.17 0.00 -1.26 -4.72 105.19 109.29 2kvb n GLY 702 Ca -0.01 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.80 3.44 0.36 1.61 0.08 -1.04 -4.95 117.98 115.68 2kvb s PHE 703 Ca 0.00 -2.45 -0.26 0.00 0.12 0.00 0.00 56.93 54.34 2kvb s PHE 703 Cb 0.00 -2.36 -0.09 0.00 -0.57 0.00 0.00 43.02 40.00 2kvb s PHE 703 CO 0.00 -0.89 1.07 -1.25 -0.10 0.00 0.00 175.22 174.04 2kvb s PRO 704 N 1.07 4.33 -0.03 0.24 0.04 -1.26 -2.93 135.00 136.47 2kvb s PRO 704 Ca -0.01 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2kvb s PRO 704 Cb -0.20 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2kvb s PRO 704 CO -0.05 -0.02 -0.10 -2.00 0.04 0.00 0.00 177.00 174.87 2kvb s GLU 705 N -2.11 1.11 0.03 4.56 2.56 0.20 -4.84 118.70 120.21 2kvb s GLU 705 Ca 0.53 -0.36 -0.30 0.00 0.00 0.00 0.00 54.97 54.84 2kvb s GLU 705 Cb -0.26 -1.02 -0.05 0.00 2.00 0.00 0.00 34.13 34.80 2kvb s GLU 705 CO 0.33 0.14 1.24 -0.47 -0.56 0.00 0.00 175.26 175.94 2kvb s TYR 706 N 0.17 3.29 0.00 5.30 5.04 -1.26 0.38 117.35 130.26 2kvb s TYR 706 Ca -0.03 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 2kvb s TYR 706 Cb -0.09 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.74 2kvb s TYR 706 CO 0.01 -1.53 0.00 1.04 -1.34 0.00 0.00 175.55 173.72 2kvb n GLN 707 N 4.38 0.00 -3.49 4.97 1.13 -0.70 -4.89 117.38 118.78 2kvb n GLN 707 Ca 0.10 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.04 2kvb n GLN 707 Cb 0.46 -0.12 -0.10 0.00 0.11 0.00 0.00 30.24 30.59 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 -0.36 0.28 0.12 -1.09 -1.05 -1.21 -5.03 118.70 110.34 2kvb s GLU 708 Ca 0.00 0.59 -0.20 0.00 -0.15 0.00 0.00 54.97 55.21 2kvb s GLU 708 Cb 0.00 -0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 33.21 2kvb s GLU 708 CO 0.00 -0.52 0.63 -2.00 0.95 0.00 0.00 175.26 174.32 2kvb s GLU 709 N 2.49 4.25 0.05 -4.83 -6.30 -1.26 -3.43 118.70 109.67 2kvb s GLU 709 Ca 0.07 0.80 0.00 0.00 -2.50 0.00 0.00 54.97 53.34 2kvb s GLU 709 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 30.83 2kvb s GLU 709 CO -0.13 0.57 0.00 -3.47 0.02 0.00 0.00 175.26 172.25 2kvb n ASP 710 N 1.44 -0.43 -1.33 -1.70 2.03 -1.26 -4.96 116.55 110.34 2kvb n ASP 710 Ca -0.08 0.29 -0.05 0.00 0.52 0.00 0.00 54.79 55.48 2kvb n ASP 710 Cb 0.51 0.64 0.03 0.00 -0.72 0.00 0.00 41.12 41.57 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 -2.59 3.88 0.00 1.67 2.04 -1.26 -4.76 115.26 114.24 2kvb n ASN 711 Ca 0.00 -2.38 0.00 0.00 -0.44 0.00 0.00 54.58 51.76 2kvb n ASN 711 Cb 0.00 -0.71 0.00 0.00 -2.53 0.00 0.00 39.78 36.54 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2kvb n SER 712 N 0.48 0.00 -4.01 0.53 3.41 -1.26 -4.93 113.62 107.84 2kvb n SER 712 Ca 0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 2kvb n SER 712 Cb 0.65 -1.48 -0.17 0.00 -0.26 0.00 0.00 64.21 62.95 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvb s THR 713 N -2.22 1.12 -0.20 6.66 2.01 -1.26 -1.83 115.64 119.92 2kvb s THR 713 Ca 0.00 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2kvb s THR 713 Cb 0.00 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 2kvb s THR 713 CO 0.00 0.36 1.18 -0.31 -0.69 0.00 0.00 174.62 175.16 2kvb s TYR 714 N 0.84 3.01 -0.22 4.92 1.51 0.16 -4.23 117.35 123.34 2kvb s TYR 714 Ca -0.11 1.16 -0.09 0.00 -1.01 0.00 0.00 57.07 57.01 2kvb s TYR 714 Cb -0.15 -3.46 -0.05 0.00 -0.11 0.00 0.00 41.96 38.19 2kvb s TYR 714 CO 0.02 -1.26 0.12 -0.80 -1.11 0.00 0.00 175.55 172.51 2kvb s ASN 715 N 1.76 5.95 0.05 2.29 -0.87 -1.22 0.13 114.94 123.03 2kvb s ASN 715 Ca 0.51 0.11 0.06 0.00 -1.57 0.00 0.00 52.86 51.98 2kvb s ASN 715 Cb -0.19 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 38.96 2kvb s ASN 715 CO 0.12 0.12 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.27 2kvb s PHE 716 N 0.73 2.65 -0.29 2.20 0.40 -0.79 -1.72 117.98 121.16 2kvb s PHE 716 Ca 0.06 -0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 2kvb s PHE 716 Cb -0.13 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 2kvb s PHE 716 CO 0.02 0.31 0.14 0.50 0.70 0.00 0.00 175.22 176.89 2kvb s ARG 717 N -1.60 3.50 -0.23 0.44 3.52 0.16 -0.16 118.95 124.58 2kvb s ARG 717 Ca 0.16 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2kvb s ARG 717 Cb -0.11 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2kvb s ARG 717 CO 0.07 -0.33 -0.13 -0.46 -0.81 0.00 0.00 175.30 173.65 2kvb s TRP 718 N 1.63 3.03 -0.38 5.12 -0.11 0.85 0.59 118.94 129.67 2kvb s TRP 718 Ca 0.05 -1.83 -0.19 0.00 1.22 0.00 0.00 56.10 55.36 2kvb s TRP 718 Cb -0.16 -1.97 0.01 0.00 -1.50 0.00 0.00 33.47 29.84 2kvb s TRP 718 CO 0.06 -0.80 0.55 0.71 -4.62 0.00 0.00 176.95 172.85 2kvb s TYR 719 N 1.24 3.15 -0.01 5.86 2.02 -1.15 0.44 117.35 128.90 2kvb s TYR 719 Ca -0.01 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 2kvb s TYR 719 Cb -0.16 -3.05 -0.00 0.00 -0.40 0.00 0.00 41.96 38.34 2kvb s TYR 719 CO -0.08 -0.65 0.03 -0.08 -1.57 0.00 0.00 175.55 173.20 2kvb s THR 720 N 2.51 0.02 0.26 -0.71 -1.32 -0.75 -2.51 115.64 113.14 2kvb s THR 720 Ca 0.20 -0.18 0.27 0.00 -1.21 0.00 0.00 61.69 60.77 2kvb s THR 720 Cb -0.15 -0.10 0.28 0.00 -1.51 0.00 0.00 72.50 71.02 2kvb s THR 720 CO 0.15 -0.10 1.96 0.77 -2.21 0.00 0.00 174.62 175.19 2kvb h SER 721 N 5.79 0.00 0.71 8.08 4.64 -1.59 -2.63 113.55 128.56 2kvb h SER 721 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kvb h SER 721 CO 0.47 0.15 0.00 -1.22 -0.87 0.00 0.00 176.83 175.36 2kvb n TYR 722 N -3.44 0.26 1.29 4.77 4.01 -1.26 -1.47 117.16 121.32 2kvb n TYR 722 Ca -0.01 0.10 0.13 0.00 -0.16 0.00 0.00 57.90 57.95 2kvb n TYR 722 Cb 0.33 -0.66 0.41 0.00 -0.31 0.00 0.00 39.34 39.12 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kvb n ALA 723 N -1.59 2.54 -2.63 -0.72 0.00 -1.00 -4.81 120.51 112.29 2kvb n ALA 723 Ca 0.04 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 2kvb n ALA 723 Cb 0.23 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50