#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 0.45 0.00 0.62 0.00 -1.26 -5.12 121.76 116.45 2kvb s ALA 579 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2kvb s ALA 579 Cb 0.00 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2kvb s ALA 579 CO 0.00 -0.80 0.00 0.39 0.00 0.00 0.00 175.76 175.35 2kvb n GLU 580 N -0.48 0.00 -1.58 0.00 1.02 -1.26 -5.08 120.64 113.27 2kvb n GLU 580 Ca -0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2kvb n GLU 580 Cb 0.62 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 2kvb n GLU 580 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kvb n ALA 581 N -1.13 -2.44 -0.02 0.62 0.00 -1.26 -5.02 120.51 111.26 2kvb n ALA 581 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.71 2kvb n ALA 581 Cb 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kvb n ALA 581 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kvb h GLU 582 N 2.47 0.00 -1.04 0.00 4.39 -1.98 -3.50 114.58 114.92 2kvb h GLU 582 Ca 0.00 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2kvb h GLU 582 Cb 0.00 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.31 2kvb h GLU 582 CO 0.00 0.00 0.89 -0.59 -1.16 0.00 0.00 179.01 178.15 2kvb s PHE 583 N -1.34 -0.03 0.00 4.33 -0.71 -1.26 -4.96 117.98 114.01 2kvb s PHE 583 Ca -0.04 0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 2kvb s PHE 583 Cb 0.00 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 2kvb s PHE 583 CO 0.05 -0.01 0.00 -0.11 -1.34 0.00 0.00 175.22 173.81 2kvb n LEU 584 N 1.72 0.00 -0.28 -1.99 0.00 -1.26 -4.91 117.00 110.28 2kvb n LEU 584 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 56.01 55.97 2kvb n LEU 584 Cb 0.57 0.30 -0.01 0.00 0.00 0.00 0.00 43.42 44.27 2kvb n LEU 584 CO 0.02 -0.30 0.21 -1.54 0.00 0.00 0.00 177.39 175.78 2kvb n SER 585 N -1.93 1.40 -4.32 1.96 3.41 -1.26 -4.91 113.62 107.97 2kvb n SER 585 Ca 0.00 -1.20 -0.32 0.00 -0.26 0.00 0.00 58.87 57.10 2kvb n SER 585 Cb 0.00 0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.81 2.47 0.00 4.33 3.52 -1.26 0.18 118.95 126.39 2kvb s ARG 586 Ca 0.11 -0.87 0.05 0.00 -0.13 0.00 0.00 55.73 54.89 2kvb s ARG 586 Cb 0.11 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.30 2kvb s ARG 586 CO 0.39 0.46 -0.17 -0.08 -0.81 0.00 0.00 175.30 175.09 2kvb s THR 587 N -0.34 1.32 -0.25 4.11 -1.32 0.22 -4.53 115.64 114.84 2kvb s THR 587 Ca 0.02 -0.82 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 2kvb s THR 587 Cb -0.12 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2kvb s THR 587 CO 0.02 0.28 0.05 -0.70 -2.21 0.00 0.00 174.62 172.07 2kvb s GLU 588 N -0.63 3.50 0.00 7.08 2.12 -1.26 -0.55 118.70 128.96 2kvb s GLU 588 Ca 0.06 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2kvb s GLU 588 Cb -0.07 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2kvb s GLU 588 CO 0.00 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 2kvb n GLY 589 N 4.89 1.44 0.00 -1.50 0.00 0.16 -4.97 105.19 105.20 2kvb n GLY 589 Ca -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 1.20 -4.63 1.61 2.03 -0.25 -4.62 116.55 111.89 2kvb n ASP 590 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2kvb n ASP 590 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2kvb n ASP 590 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kvb s ASN 591 N 0.25 6.85 0.00 1.67 0.01 -1.25 -2.16 114.94 120.31 2kvb s ASN 591 Ca 0.00 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 2kvb s ASN 591 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2kvb s ASN 591 CO 0.00 -0.84 0.00 0.00 -1.51 0.00 0.00 177.10 174.75 2kvb s THR 593 N -2.18 0.43 -0.06 0.00 -4.23 -1.24 -0.39 115.64 107.97 2kvb s THR 593 Ca 0.00 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 2kvb s THR 593 Cb 0.00 -0.43 0.02 0.00 1.34 0.00 0.00 72.50 73.42 2kvb s THR 593 CO 0.00 -0.11 -0.10 0.54 -0.54 0.00 0.00 174.62 174.41 2kvb s VAL 594 N -0.66 1.00 -0.13 2.29 0.11 0.37 -1.09 120.40 122.29 2kvb s VAL 594 Ca -0.04 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 2kvb s VAL 594 Cb -0.05 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2kvb s VAL 594 CO 0.00 0.33 -0.18 0.12 -3.33 0.00 0.00 175.10 172.04 2kvb s PHE 595 N 0.80 2.72 -0.20 1.54 5.36 -1.26 -0.10 117.98 126.83 2kvb s PHE 595 Ca -0.12 -0.92 -0.03 0.00 -0.96 0.00 0.00 56.93 54.89 2kvb s PHE 595 Cb -0.15 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.71 2kvb s PHE 595 CO 0.02 -0.37 -0.07 0.34 -1.46 0.00 0.00 175.22 173.68 2kvb s ASP 596 N 0.51 4.16 0.47 6.13 -1.08 -0.97 -4.74 116.67 121.15 2kvb s ASP 596 Ca -0.12 -0.40 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 2kvb s ASP 596 Cb -0.16 -1.70 1.14 0.00 -1.46 0.00 0.00 42.92 40.74 2kvb s ASP 596 CO 0.05 0.01 1.95 0.77 0.52 0.00 0.00 175.17 178.47 2kvb h SER 597 N 7.86 0.00 0.48 -0.34 4.64 -1.97 0.11 113.55 124.34 2kvb h SER 597 Ca -0.40 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.62 2kvb h SER 597 Cb 1.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2kvb h SER 597 CO 0.60 0.21 -1.34 0.06 -0.87 0.00 0.00 176.83 175.49 2kvb h GLN 598 N 0.00 0.38 0.00 4.77 3.07 -1.93 -3.30 115.11 118.10 2kvb h GLN 598 Ca -0.00 -0.65 -0.05 0.00 0.09 0.00 0.00 58.65 58.03 2kvb h GLN 598 Cb 0.51 0.24 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 2kvb h GLN 598 CO 0.03 1.31 -0.60 0.00 0.09 0.00 0.00 178.83 179.66 2kvb h ALA 599 N 0.41 0.74 -0.30 0.06 0.00 -1.93 -3.47 119.26 114.76 2kvb h ALA 599 Ca -0.18 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2kvb h ALA 599 Cb 2.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 2kvb h ALA 599 CO 0.23 0.30 -0.12 0.41 0.00 0.00 0.00 179.25 180.08 2kvb n GLY 600 N 1.20 0.84 3.10 0.00 0.00 0.35 -5.00 105.19 105.68 2kvb n GLY 600 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.11 0.92 -0.07 1.61 0.08 -1.21 -5.00 117.98 112.18 2kvb s PHE 601 Ca 0.00 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.66 2kvb s PHE 601 Cb 0.00 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 41.90 2kvb s PHE 601 CO 0.00 -0.01 -0.20 0.45 -0.10 0.00 0.00 175.22 175.36 2kvb s SER 602 N -1.46 3.52 -0.06 1.36 0.15 -1.26 -2.28 113.70 113.66 2kvb s SER 602 Ca -0.05 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.24 2kvb s SER 602 Cb -0.09 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 2kvb s SER 602 CO 0.01 0.25 -0.14 -0.36 1.20 0.00 0.00 173.24 174.20 2kvb s PHE 603 N -0.19 1.61 -0.30 3.44 0.08 0.86 -4.96 117.98 118.51 2kvb s PHE 603 Ca -0.02 -0.57 -0.10 0.00 0.12 0.00 0.00 56.93 56.37 2kvb s PHE 603 Cb -0.13 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2kvb s PHE 603 CO 0.03 -0.26 0.16 0.16 -0.10 0.00 0.00 175.22 175.22 2kvb s ASP 604 N 0.46 5.66 -0.21 1.36 -4.77 -1.26 -0.48 116.67 117.43 2kvb s ASP 604 Ca -0.12 -0.37 0.15 0.00 -3.30 0.00 0.00 52.55 48.91 2kvb s ASP 604 Cb -0.15 -2.04 0.65 0.00 -1.09 0.00 0.00 42.92 40.30 2kvb s ASP 604 CO 0.04 -0.16 1.57 0.18 0.70 0.00 0.00 175.17 177.50 2kvb n LEU 605 N 5.01 4.71 -0.05 2.11 4.77 0.47 -4.62 117.00 129.41 2kvb n LEU 605 Ca -0.14 -3.01 -0.08 0.00 -0.03 0.00 0.00 56.01 52.74 2kvb n LEU 605 Cb 0.50 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2kvb n LEU 605 CO 0.34 0.67 0.87 0.74 -1.33 0.00 0.00 177.39 178.68 2kvb h THR 606 N 2.67 0.87 0.00 -5.08 2.02 -1.90 -2.17 112.91 109.32 2kvb h THR 606 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2kvb h THR 606 Cb 1.70 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2kvb h THR 606 CO 0.35 0.02 0.09 1.55 0.37 0.00 0.00 175.52 177.90 2kvb h PRO 607 N 0.09 0.00 0.00 6.66 0.13 -1.93 -1.64 132.00 135.31 2kvb h PRO 607 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2kvb h PRO 607 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2kvb h PRO 607 CO -0.16 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.89 2kvb n LEU 608 N -3.02 0.64 -4.74 1.56 4.32 -0.81 -4.76 117.00 110.19 2kvb n LEU 608 Ca -0.03 0.64 -0.42 0.00 -0.02 0.00 0.00 56.01 56.19 2kvb n LEU 608 Cb 0.15 -0.54 -0.03 0.00 -1.62 0.00 0.00 43.42 41.39 2kvb n LEU 608 CO 0.18 -0.49 1.09 -0.89 -1.22 0.00 0.00 177.39 176.07 2kvb s THR 609 N -3.27 2.84 0.01 -5.08 2.01 -0.62 -4.53 115.64 107.00 2kvb s THR 609 Ca 0.05 0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.75 2kvb s THR 609 Cb 0.10 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2kvb s THR 609 CO 0.41 0.09 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.80 2kvb s LYS 610 N 0.08 0.66 0.21 4.92 1.02 -1.26 -4.99 119.74 120.38 2kvb s LYS 610 Ca 0.61 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.17 2kvb s LYS 610 Cb -0.40 -0.61 0.17 0.00 -0.52 0.00 0.00 37.83 36.46 2kvb s LYS 610 CO 0.39 0.16 1.51 0.87 -0.92 0.00 0.00 175.35 177.36 2kvb h LYS 611 N 5.51 0.34 0.00 1.68 6.56 -1.95 -2.51 116.57 126.19 2kvb h LYS 611 Ca -0.32 -0.24 -0.05 0.00 -1.06 0.00 0.00 60.65 58.98 2kvb h LYS 611 Cb 1.19 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 2kvb h LYS 611 CO 0.47 0.86 -0.22 -0.44 -2.06 0.00 0.00 179.45 178.06 2kvb h ASP 612 N 0.25 0.00 -3.34 0.86 5.19 -1.95 -3.41 116.42 114.02 2kvb h ASP 612 Ca -0.01 0.00 0.37 0.00 -0.62 0.00 0.00 57.03 56.77 2kvb h ASP 612 Cb 1.16 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.58 2kvb h ASP 612 CO 0.10 0.22 -0.51 0.00 -3.12 0.00 0.00 179.24 175.94 2kvb n ALA 613 N -2.38 -3.50 -3.22 3.45 0.00 -0.95 -4.82 120.51 109.09 2kvb n ALA 613 Ca -0.02 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 2kvb n ALA 613 Cb 0.31 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.20 2.83 -0.09 0.00 1.51 0.62 -4.95 117.35 115.06 2kvb s TYR 614 Ca 0.00 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 2kvb s TYR 614 Cb 0.00 -1.89 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 2kvb s TYR 614 CO 0.00 -0.31 -0.14 0.21 -1.11 0.00 0.00 175.55 174.20 2kvb s LYS 615 N 0.60 1.98 -0.10 -0.62 2.20 -1.26 0.13 119.74 122.66 2kvb s LYS 615 Ca -0.07 -0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 55.03 2kvb s LYS 615 Cb -0.16 -1.67 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 2kvb s LYS 615 CO 0.03 -0.02 -0.01 0.08 -0.36 0.00 0.00 175.35 175.07 2kvb s VAL 616 N 0.85 4.21 -0.08 4.02 1.01 0.65 -4.93 120.40 126.14 2kvb s VAL 616 Ca -0.10 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2kvb s VAL 616 Cb -0.15 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2kvb s VAL 616 CO 0.01 0.57 -0.19 -1.61 0.00 0.00 0.00 175.10 173.88 2kvb s GLU 617 N -0.56 2.84 0.00 2.72 2.02 -1.26 0.05 118.70 124.51 2kvb s GLU 617 Ca 0.09 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2kvb s GLU 617 Cb -0.12 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.76 2kvb s GLU 617 CO 0.02 0.36 0.00 0.25 0.02 0.00 0.00 175.26 175.91 2kvb n THR 618 N 3.05 0.00 -0.23 3.63 -2.24 0.49 -4.99 114.28 113.99 2kvb n THR 618 Ca -0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2kvb n THR 618 Cb 0.52 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.97 0.00 3.42 3.32 -2.03 -3.38 116.42 118.71 2kvb h ASP 619 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2kvb h ASP 619 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2kvb h ASP 619 CO 0.00 0.95 -0.24 0.29 -1.72 0.00 0.00 179.24 178.52 2kvb n LYS 620 N -4.31 3.25 -4.90 3.56 5.02 -1.26 -4.95 118.16 114.56 2kvb n LYS 620 Ca 0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 2kvb n LYS 620 Cb 0.25 -0.49 -0.15 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.73 1.87 0.07 2.13 2.02 -1.26 -0.35 117.35 121.09 2kvb s TYR 621 Ca 0.00 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2kvb s TYR 621 Cb 0.00 -1.17 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 2kvb s TYR 621 CO 0.00 0.01 -0.08 -1.83 -1.57 0.00 0.00 175.55 172.09 2kvb s GLU 622 N -0.73 2.34 -0.20 -0.62 -1.05 -0.66 -0.38 118.70 117.41 2kvb s GLU 622 Ca 0.08 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 53.99 2kvb s GLU 622 Cb -0.08 -2.40 -0.00 0.00 -0.44 0.00 0.00 34.13 31.20 2kvb s GLU 622 CO 0.00 0.55 -0.10 -0.06 0.95 0.00 0.00 175.26 176.59 2kvb s PHE 623 N -1.15 2.88 -0.20 4.83 0.40 0.11 -1.76 117.98 123.10 2kvb s PHE 623 Ca 0.20 -1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 2kvb s PHE 623 Cb -0.11 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2kvb s PHE 623 CO 0.12 -0.59 -0.05 -1.58 0.70 0.00 0.00 175.22 173.82 2kvb s HIS 624 N 1.28 2.95 0.05 0.36 2.46 0.53 -0.25 115.29 122.66 2kvb s HIS 624 Ca 0.03 -0.81 -0.00 0.00 0.47 0.00 0.00 55.06 54.75 2kvb s HIS 624 Cb -0.14 -2.05 -0.03 0.00 -0.13 0.00 0.00 32.58 30.22 2kvb s HIS 624 CO -0.05 -0.44 -0.04 0.96 -2.47 0.00 0.00 174.74 172.70 2kvb s ILE 625 N 1.19 0.28 0.08 0.89 -4.36 0.12 -0.45 121.20 118.95 2kvb s ILE 625 Ca 0.02 -1.51 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 2kvb s ILE 625 Cb -0.14 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2kvb s ILE 625 CO -0.01 -0.79 -0.09 0.21 0.24 0.00 0.00 174.94 174.50 2kvb s ASN 626 N -2.40 1.25 -0.38 4.36 2.47 -0.81 -0.28 114.94 119.15 2kvb s ASN 626 Ca -0.00 -0.76 -0.23 0.00 0.42 0.00 0.00 52.86 52.29 2kvb s ASN 626 Cb 0.01 0.03 0.01 0.00 -1.45 0.00 0.00 41.25 39.85 2kvb s ASN 626 CO -0.06 -0.27 0.77 -0.69 -3.72 0.00 0.00 177.10 173.14 2kvb s VAL 627 N -2.27 4.73 0.11 -5.21 1.01 -1.26 -4.78 120.40 112.72 2kvb s VAL 627 Ca 0.02 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2kvb s VAL 627 Cb -0.04 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kvb s VAL 627 CO -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 175.10 174.61 2kvb n GLY 629 N -1.47 2.53 4.00 0.00 0.00 0.74 -4.76 105.19 106.23 2kvb n GLY 629 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 2.43 -0.19 1.61 0.04 -1.26 -2.60 135.00 135.04 2kvb s PRO 630 Ca 0.00 -1.11 -0.08 0.00 0.04 0.00 0.00 61.00 59.85 2kvb s PRO 630 Cb 0.00 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2kvb s PRO 630 CO 0.00 -0.74 0.07 0.54 0.04 0.00 0.00 177.00 176.91 2kvb s VAL 631 N -2.70 4.86 -1.20 -0.36 0.11 0.14 -4.64 120.40 116.61 2kvb s VAL 631 Ca 0.59 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.52 2kvb s VAL 631 Cb -0.09 -3.20 0.20 0.00 -1.53 0.00 0.00 36.38 31.77 2kvb s VAL 631 CO 0.38 0.45 1.44 -1.54 -3.33 0.00 0.00 175.10 172.50 2kvb n SER 632 N 3.63 5.33 -3.98 3.54 3.41 -1.26 -4.66 113.62 119.63 2kvb n SER 632 Ca -0.16 -3.03 -0.21 0.00 -0.26 0.00 0.00 58.87 55.20 2kvb n SER 632 Cb 0.52 -1.50 -0.16 0.00 -0.26 0.00 0.00 64.21 62.81 2kvb n SER 632 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kvb s VAL 633 N 0.57 0.81 -1.34 -3.33 0.11 -1.26 -4.72 120.40 111.24 2kvb s VAL 633 Ca 0.39 -0.33 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 2kvb s VAL 633 Cb -0.02 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2kvb s VAL 633 CO -0.01 0.27 2.52 0.61 -3.33 0.00 0.00 175.10 175.16 2kvb n GLY 634 N 3.65 3.86 0.00 6.54 0.00 -1.26 -2.22 105.19 115.76 2kvb n GLY 634 Ca -0.22 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 4.60 0.37 -2.53 4.61 0.00 -1.26 -5.11 120.51 121.19 2kvb n ALA 635 Ca 0.63 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.82 2kvb n ALA 635 Cb 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb s PRO 637 N -1.25 2.76 0.10 0.00 0.04 -1.26 -4.50 135.00 130.89 2kvb s PRO 637 Ca 0.06 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.19 2kvb s PRO 637 Cb -0.09 -1.94 0.31 0.00 0.04 0.00 0.00 34.50 32.82 2kvb s PRO 637 CO 0.02 -1.43 1.10 -2.30 0.04 0.00 0.00 177.00 174.43 2kvb n PRO 638 N -1.67 0.04 0.00 0.56 -0.02 -1.26 -0.72 135.00 131.93 2kvb n PRO 638 Ca 0.14 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 2kvb n PRO 638 Cb 0.48 -1.72 0.52 0.00 -0.02 0.00 0.00 33.50 32.76 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kvb n ASP 639 N -1.65 0.94 -4.67 2.55 5.75 -1.26 -4.56 116.55 113.64 2kvb n ASP 639 Ca -0.00 -0.99 -0.35 0.00 -0.01 0.00 0.00 54.79 53.44 2kvb n ASP 639 Cb 0.11 0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.13 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kvb s SER 640 N -2.32 5.54 -0.13 -1.12 0.15 0.10 -0.18 113.70 115.75 2kvb s SER 640 Ca 0.31 0.14 0.17 0.00 0.70 0.00 0.00 55.95 57.27 2kvb s SER 640 Cb 0.20 -1.81 -0.24 0.00 -1.71 0.00 0.00 66.02 62.46 2kvb s SER 640 CO 0.44 0.27 0.18 0.61 1.20 0.00 0.00 173.24 175.95 2kvb n GLY 641 N 2.86 -0.88 2.74 9.45 0.00 0.01 0.23 105.19 119.60 2kvb n GLY 641 Ca -0.18 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.73 0.36 -0.04 4.61 0.00 -1.05 -1.93 121.76 120.99 2kvb s ALA 642 Ca -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2kvb s ALA 642 Cb 0.08 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2kvb s ALA 642 CO 0.75 -0.36 0.09 0.00 0.00 0.00 0.00 175.76 176.24 2kvb s GLN 644 N 0.44 2.88 -0.04 0.00 -2.07 -0.57 -0.35 119.66 119.95 2kvb s GLN 644 Ca -0.03 -0.55 0.01 0.00 -1.82 0.00 0.00 55.36 52.96 2kvb s GLN 644 Cb -0.05 -2.73 0.02 0.00 -1.09 0.00 0.00 33.01 29.16 2kvb s GLN 644 CO -0.02 0.64 -0.03 0.54 -1.32 0.00 0.00 175.29 175.10 2kvb s VAL 645 N -1.09 0.43 -0.20 3.63 0.11 -0.72 0.01 120.40 122.58 2kvb s VAL 645 Ca 0.19 -0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 2kvb s VAL 645 Cb -0.12 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2kvb s VAL 645 CO 0.10 0.20 1.40 -0.55 -3.33 0.00 0.00 175.10 172.92 2kvb s SER 646 N 0.99 6.72 0.54 3.54 0.15 0.14 -1.65 113.70 124.13 2kvb s SER 646 Ca -0.10 1.61 0.33 0.00 0.70 0.00 0.00 55.95 58.49 2kvb s SER 646 Cb -0.14 -2.54 1.26 0.00 -1.71 0.00 0.00 66.02 62.90 2kvb s SER 646 CO -0.01 -0.97 1.95 0.08 1.20 0.00 0.00 173.24 175.49 2kvb h ARG 647 N 9.19 0.00 0.05 5.44 0.11 -1.01 0.26 114.38 128.41 2kvb h ARG 647 Ca -0.29 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.70 2kvb h ARG 647 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2kvb h ARG 647 CO 0.99 0.00 -0.40 1.03 0.10 0.00 0.00 179.97 181.69 2kvb h SER 648 N 0.00 0.17 0.00 0.08 0.87 -1.89 -3.39 113.55 109.39 2kvb h SER 648 Ca 0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2kvb h SER 648 Cb 0.56 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2kvb h SER 648 CO 0.00 1.19 -1.66 0.47 -0.53 0.00 0.00 176.83 176.29 2kvb n ASP 649 N -4.41 0.71 -0.68 6.23 9.92 -1.19 -4.96 116.55 122.17 2kvb n ASP 649 Ca -0.13 -0.19 -0.09 0.00 -0.53 0.00 0.00 54.79 53.85 2kvb n ASP 649 Cb 0.62 1.69 -0.04 0.00 -0.64 0.00 0.00 41.12 42.75 2kvb n ASP 649 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2kvb n ARG 650 N -2.01 -0.80 -3.10 -1.24 3.00 0.89 -5.00 116.66 108.40 2kvb n ARG 650 Ca -0.02 0.77 -0.39 0.00 -0.00 0.00 0.00 57.85 58.20 2kvb n ARG 650 Cb 0.45 -4.69 -0.06 0.00 0.00 0.00 0.00 32.46 28.16 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 -2.57 4.40 0.06 -0.14 -0.14 -1.24 -4.82 119.74 115.29 2kvb s LYS 651 Ca 0.00 0.94 0.08 0.00 -1.36 0.00 0.00 55.97 55.63 2kvb s LYS 651 Cb 0.00 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 2kvb s LYS 651 CO 0.00 0.47 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.71 2kvb s SER 652 N -0.66 2.82 0.06 2.83 0.01 -1.26 0.28 113.70 117.78 2kvb s SER 652 Ca 0.34 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 57.09 2kvb s SER 652 Cb -0.20 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2kvb s SER 652 CO 0.22 0.19 -0.20 0.26 0.41 0.00 0.00 173.24 174.12 2kvb s TRP 653 N -0.85 1.73 -0.36 2.43 0.51 0.10 -4.97 118.94 117.52 2kvb s TRP 653 Ca 0.10 -0.38 -0.17 0.00 -2.12 0.00 0.00 56.10 53.52 2kvb s TRP 653 Cb -0.09 -1.01 -0.00 0.00 -0.81 0.00 0.00 33.47 31.56 2kvb s TRP 653 CO 0.02 0.11 0.47 1.21 -0.51 0.00 0.00 176.95 178.25 2kvb s ASN 654 N -1.36 6.26 -0.15 2.95 2.47 -1.26 -1.51 114.94 122.35 2kvb s ASN 654 Ca 0.06 -0.16 0.18 0.00 0.42 0.00 0.00 52.86 53.36 2kvb s ASN 654 Cb -0.09 -2.24 0.76 0.00 -1.45 0.00 0.00 41.25 38.23 2kvb s ASN 654 CO 0.02 -0.46 1.68 0.18 -3.72 0.00 0.00 177.10 174.80 2kvb n LEU 655 N 5.64 5.08 0.00 3.21 4.77 0.16 -0.87 117.00 134.99 2kvb n LEU 655 Ca -0.06 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 2kvb n LEU 655 Cb 0.49 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2kvb n LEU 655 CO 0.44 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2kvb n GLY 656 N 1.04 3.86 3.77 -0.72 0.00 -1.13 -1.22 105.19 110.79 2kvb n GLY 656 Ca 0.27 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.68 1.36 0.08 1.61 0.52 -1.26 -0.81 118.95 117.77 2kvb s ARG 657 Ca 0.00 0.49 -0.34 0.00 -0.52 0.00 0.00 55.73 55.36 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 -2.09 1.70 -1.13 0.02 0.00 0.00 175.30 173.80 2kvb n SER 658 N -3.73 3.32 -3.57 0.23 3.41 0.75 -4.07 113.62 109.97 2kvb n SER 658 Ca 0.07 1.04 -0.15 0.00 -0.26 0.00 0.00 58.87 59.57 2kvb n SER 658 Cb 0.58 -1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.05 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 2.09 -0.48 -0.00 4.04 2.47 -1.07 -4.87 114.94 117.11 2kvb s ASN 659 Ca 0.83 0.28 0.00 0.00 0.42 0.00 0.00 52.86 54.40 2kvb s ASN 659 Cb -0.66 0.50 0.01 0.00 -1.45 0.00 0.00 41.25 39.64 2kvb s ASN 659 CO 0.42 -0.69 0.75 0.00 -3.72 0.00 0.00 177.10 173.86 2kvb n ALA 660 N 0.53 1.50 -2.48 1.71 0.00 -1.26 -0.18 120.51 120.32 2kvb n ALA 660 Ca -0.19 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.05 2kvb n ALA 660 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.51 3.74 0.40 0.00 -0.14 -1.25 0.12 119.74 122.11 2kvb s LYS 661 Ca 0.01 0.89 -0.13 0.00 -1.36 0.00 0.00 55.97 55.38 2kvb s LYS 661 Cb 0.01 -3.93 -0.07 0.00 -1.68 0.00 0.00 37.83 32.16 2kvb s LYS 661 CO 0.00 -1.35 0.80 -0.51 -0.76 0.00 0.00 175.35 173.53 2kvb s LEU 662 N 4.71 3.86 0.03 3.17 1.43 -0.92 -3.57 118.68 127.38 2kvb s LEU 662 Ca 0.54 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 2kvb s LEU 662 Cb -0.12 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2kvb s LEU 662 CO 0.29 -0.38 -0.21 -0.44 0.23 0.00 0.00 176.35 175.83 2kvb s SER 663 N -2.91 2.51 -0.11 2.29 0.01 0.14 0.35 113.70 115.97 2kvb s SER 663 Ca 0.53 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.31 2kvb s SER 663 Cb -0.10 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2kvb s SER 663 CO 0.28 0.19 -0.14 -0.47 0.41 0.00 0.00 173.24 173.50 2kvb s TYR 664 N -0.72 2.77 -0.03 2.43 6.14 0.29 0.13 117.35 128.35 2kvb s TYR 664 Ca 0.08 -0.60 0.06 0.00 0.64 0.00 0.00 57.07 57.25 2kvb s TYR 664 Cb -0.09 -1.80 -0.02 0.00 0.42 0.00 0.00 41.96 40.47 2kvb s TYR 664 CO 0.01 -0.17 -0.19 -0.47 0.64 0.00 0.00 175.55 175.37 2kvb s TYR 665 N 0.18 2.54 -0.16 4.97 5.04 -0.35 -0.61 117.35 128.96 2kvb s TYR 665 Ca -0.08 -0.28 -0.35 0.00 -2.44 0.00 0.00 57.07 53.92 2kvb s TYR 665 Cb -0.15 -1.57 -0.12 0.00 0.35 0.00 0.00 41.96 40.47 2kvb s TYR 665 CO 0.05 0.10 1.92 -3.47 -1.34 0.00 0.00 175.55 172.81 2kvb n ASP 666 N 2.32 3.10 0.00 4.32 2.03 0.13 -0.89 116.55 127.55 2kvb n ASP 666 Ca -0.17 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2kvb n ASP 666 Cb 0.52 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 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 4.71 3.19 3.34 0.27 0.00 -1.26 -5.04 105.19 110.40 2kvb n GLY 667 Ca 0.26 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 0.95 0.16 1.61 -1.94 -0.07 -4.93 119.30 115.08 2kvb s MET 668 Ca 0.00 -0.35 -0.24 0.00 -1.71 0.00 0.00 55.69 53.40 2kvb s MET 668 Cb 0.00 0.43 -0.08 0.00 2.01 0.00 0.00 34.83 37.19 2kvb s MET 668 CO 0.00 -0.33 0.74 0.42 -0.01 0.00 0.00 175.02 175.83 2kvb s ILE 669 N -2.52 4.45 0.22 2.53 1.01 -1.22 -1.21 121.20 124.45 2kvb s ILE 669 Ca -0.05 1.58 0.07 0.00 0.00 0.00 0.00 60.65 62.25 2kvb s ILE 669 Cb -0.01 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2kvb s ILE 669 CO -0.03 0.50 -0.12 -1.10 0.00 0.00 0.00 174.94 174.20 2kvb s GLN 670 N -1.22 1.35 -0.08 2.79 -0.21 0.12 0.21 119.66 122.61 2kvb s GLN 670 Ca 0.35 -1.62 0.01 0.00 0.02 0.00 0.00 55.36 54.13 2kvb s GLN 670 Cb -0.22 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.74 2kvb s GLN 670 CO 0.24 0.14 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.27 2kvb s LEU 671 N -3.33 1.53 -0.28 2.90 0.20 0.28 0.25 118.68 120.23 2kvb s LEU 671 Ca 0.24 -0.31 -0.07 0.00 0.69 0.00 0.00 54.13 54.67 2kvb s LEU 671 Cb 0.01 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.91 2kvb s LEU 671 CO 0.07 -0.01 0.08 -0.89 -0.29 0.00 0.00 176.35 175.31 2kvb s THR 672 N 0.99 4.14 0.59 3.68 2.01 -1.23 -1.66 115.64 124.14 2kvb s THR 672 Ca -0.08 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.49 2kvb s THR 672 Cb -0.15 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.38 2kvb s THR 672 CO -0.00 0.18 0.81 -0.31 -0.69 0.00 0.00 174.62 174.61 2kvb s TYR 673 N 1.55 1.96 0.99 4.92 2.02 -0.19 -4.68 117.35 123.93 2kvb s TYR 673 Ca 0.04 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 2kvb s TYR 673 Cb -0.16 -2.57 0.20 0.00 -0.40 0.00 0.00 41.96 39.02 2kvb s TYR 673 CO 0.03 -1.14 1.22 1.03 -1.57 0.00 0.00 175.55 175.12 2kvb s ARG 674 N -4.77 0.44 0.30 -0.62 1.81 -1.26 -4.53 118.95 110.33 2kvb s ARG 674 Ca 0.61 -0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.50 2kvb s ARG 674 Cb -0.07 -1.80 0.47 0.00 -0.45 0.00 0.00 34.95 33.10 2kvb s ARG 674 CO 0.39 -2.59 1.81 0.38 -0.68 0.00 0.00 175.30 174.61 2kvb h ASP 675 N -1.77 0.59 0.00 0.23 2.03 -1.90 -3.31 116.42 112.29 2kvb h ASP 675 Ca -0.46 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.70 2kvb h ASP 675 Cb 1.28 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2kvb h ASP 675 CO 0.45 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.96 2kvb n GLY 676 N -0.71 4.02 3.29 7.15 0.00 -1.26 -1.70 105.19 115.99 2kvb n GLY 676 Ca 0.02 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 2.63 0.64 2.61 2.01 -0.05 -4.88 115.64 118.60 2kvb s THR 677 Ca 0.00 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.05 2kvb s THR 677 Cb 0.00 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2kvb s THR 677 CO 0.00 0.53 1.09 -2.16 -0.69 0.00 0.00 174.62 173.39 2kvb s PRO 678 N 0.50 2.99 0.00 4.92 0.04 -1.26 -2.24 135.00 139.96 2kvb s PRO 678 Ca -0.11 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2kvb s PRO 678 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2kvb s PRO 678 CO 0.05 -1.09 0.39 0.66 0.04 0.00 0.00 177.00 177.05 2kvb n TYR 679 N -2.30 0.00 0.00 0.56 4.02 0.41 -4.84 117.16 115.01 2kvb n TYR 679 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 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 -0.75 0.00 -4.93 7.72 6.94 -1.26 -5.06 115.26 117.92 2kvb n ASN 680 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 2kvb n ASN 680 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 5.09 0.31 0.53 4.22 -1.26 -4.99 114.94 118.83 2kvb s ASN 681 Ca 0.00 -0.79 0.01 0.00 -2.14 0.00 0.00 52.86 49.93 2kvb s ASN 681 Cb 0.00 -0.27 0.50 0.00 1.28 0.00 0.00 41.25 42.75 2kvb s ASN 681 CO 0.00 -0.86 1.88 -0.33 -2.04 0.00 0.00 177.10 175.75 2kvb h GLU 682 N 0.78 0.76 0.00 3.55 5.08 -2.02 -2.24 114.58 120.48 2kvb h GLU 682 Ca -0.38 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2kvb h GLU 682 Cb 1.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kvb h GLU 682 CO 0.53 0.66 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.89 2kvb h LYS 683 N 0.75 0.00 -5.21 2.33 3.64 -2.06 -3.48 116.57 112.54 2kvb h LYS 683 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2kvb h LYS 683 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kvb h LYS 683 CO -0.01 0.08 -0.10 0.54 -2.27 0.00 0.00 179.45 177.69 2kvb n ARG 684 N -3.13 -1.46 -2.96 1.90 3.00 -0.85 -4.96 116.66 108.20 2kvb n ARG 684 Ca 0.03 1.57 -0.42 0.00 -0.01 0.00 0.00 57.85 59.03 2kvb n ARG 684 Cb 0.54 -5.49 -0.05 0.00 0.00 0.00 0.00 32.46 27.46 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 -2.89 4.82 0.35 0.55 2.01 -1.26 -4.90 115.64 114.31 2kvb s THR 685 Ca 0.05 1.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.97 2kvb s THR 685 Cb -0.01 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2kvb s THR 685 CO 0.71 -0.21 1.32 -2.16 -0.69 0.00 0.00 174.62 173.58 2kvb s PRO 686 N 2.90 4.24 -0.24 4.92 0.04 -1.26 -0.45 135.00 145.15 2kvb s PRO 686 Ca 0.32 2.22 -0.17 0.00 0.04 0.00 0.00 61.00 63.41 2kvb s PRO 686 Cb -0.14 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2kvb s PRO 686 CO 0.12 -0.29 0.44 1.03 0.04 0.00 0.00 177.00 178.34 2kvb s ARG 687 N -1.93 4.10 0.23 4.56 0.52 -0.69 -4.75 118.95 120.99 2kvb s ARG 687 Ca 0.51 0.22 0.06 0.00 -0.52 0.00 0.00 55.73 56.00 2kvb s ARG 687 Cb -0.40 -3.61 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 2kvb s ARG 687 CO 0.52 -0.21 -0.07 0.00 0.02 0.00 0.00 175.30 175.56 2kvb s ALA 688 N 1.85 1.98 -0.08 2.13 0.00 -1.18 -3.31 121.76 123.15 2kvb s ALA 688 Ca 0.19 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2kvb s ALA 688 Cb -0.15 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2kvb s ALA 688 CO 0.09 -0.08 -0.21 0.99 0.00 0.00 0.00 175.76 176.55 2kvb s THR 689 N -3.15 2.39 -0.17 0.00 2.01 -0.36 0.56 115.64 116.92 2kvb s THR 689 Ca 0.25 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2kvb s THR 689 Cb 0.03 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.65 2kvb s THR 689 CO 0.08 0.56 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.26 2kvb s LEU 690 N 0.01 1.90 -0.23 4.42 1.98 0.18 -1.02 118.68 125.92 2kvb s LEU 690 Ca -0.07 -0.71 -0.09 0.00 -2.89 0.00 0.00 54.13 50.36 2kvb s LEU 690 Cb -0.15 -1.10 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 2kvb s LEU 690 CO 0.05 -0.14 0.12 -0.63 -1.89 0.00 0.00 176.35 173.86 2kvb s ILE 691 N 1.51 5.04 -0.25 6.68 1.01 -0.67 -1.03 121.20 133.49 2kvb s ILE 691 Ca 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 2kvb s ILE 691 Cb -0.15 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kvb s ILE 691 CO -0.08 0.37 0.08 -0.89 0.00 0.00 0.00 174.94 174.42 2kvb s THR 692 N 0.97 4.38 -0.16 2.92 2.01 0.95 -0.56 115.64 126.15 2kvb s THR 692 Ca 0.06 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 61.80 2kvb s THR 692 Cb -0.13 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2kvb s THR 692 CO 0.03 0.33 0.22 -0.36 -0.69 0.00 0.00 174.62 174.16 2kvb s PHE 693 N 1.62 3.47 0.03 4.92 0.40 0.13 -0.01 117.98 128.54 2kvb s PHE 693 Ca 0.06 0.51 0.06 0.00 -0.60 0.00 0.00 56.93 56.96 2kvb s PHE 693 Cb -0.15 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 2kvb s PHE 693 CO 0.04 0.34 -0.14 -0.51 0.70 0.00 0.00 175.22 175.65 2kvb s LEU 694 N 0.18 2.81 -0.38 -0.37 2.01 0.20 -3.46 118.68 119.67 2kvb s LEU 694 Ca 0.14 -0.33 -0.28 0.00 0.01 0.00 0.00 54.13 53.66 2kvb s LEU 694 Cb -0.12 -1.63 0.02 0.00 0.01 0.00 0.00 46.19 44.47 2kvb s LEU 694 CO 0.02 0.26 1.07 0.00 1.01 0.00 0.00 176.35 178.71 2kvb s ASP 696 N 1.97 2.63 0.30 0.00 2.15 -1.26 -4.99 116.67 117.47 2kvb s ASP 696 Ca 0.45 -0.56 0.06 0.00 0.43 0.00 0.00 52.55 52.93 2kvb s ASP 696 Cb -0.10 -0.21 0.80 0.00 -0.30 0.00 0.00 42.92 43.10 2kvb s ASP 696 CO 0.22 0.17 1.69 0.03 -0.17 0.00 0.00 175.17 177.10 2kvb h ARG 697 N 4.75 0.38 -3.44 4.34 3.08 -1.96 -3.38 114.38 118.14 2kvb h ARG 697 Ca -0.44 -0.02 -0.49 0.00 0.07 0.00 0.00 59.98 59.10 2kvb h ARG 697 Cb 1.16 -0.08 -0.40 0.00 0.08 0.00 0.00 29.97 30.72 2kvb h ARG 697 CO 0.43 0.25 -0.76 0.34 -1.07 0.00 0.00 179.97 179.16 2kvb s ASP 698 N -5.13 2.62 0.00 7.04 2.15 -1.26 -5.07 116.67 117.02 2kvb s ASP 698 Ca -0.11 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.18 2kvb s ASP 698 Cb 0.26 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 2kvb s ASP 698 CO 0.78 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 175.48 2kvb n ALA 699 N 5.12 0.00 -2.00 3.66 0.00 -1.26 -4.99 120.51 121.03 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 0.00 3.57 0.20 0.00 0.00 -1.26 -4.73 105.19 102.96 2kvb n GLY 700 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 1.33 0.00 1.61 3.04 -1.98 -3.22 116.25 117.03 2kvb h VAL 701 Ca 0.00 -2.02 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 2kvb h VAL 701 Cb 0.00 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2kvb h VAL 701 CO 0.00 0.62 0.00 0.61 -1.01 0.00 0.00 177.57 177.79 2kvb n GLY 702 N 0.54 4.75 3.04 3.17 0.00 -1.25 -4.74 105.19 110.70 2kvb n GLY 702 Ca -0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.33 3.59 0.37 1.61 0.08 -0.44 -4.92 117.98 116.94 2kvb s PHE 703 Ca 0.00 -2.76 -0.22 0.00 0.12 0.00 0.00 56.93 54.07 2kvb s PHE 703 Cb 0.00 -2.59 -0.10 0.00 -0.57 0.00 0.00 43.02 39.76 2kvb s PHE 703 CO 0.00 -0.93 0.91 -1.25 -0.10 0.00 0.00 175.22 173.85 2kvb s PRO 704 N 0.97 4.32 -0.01 0.24 0.04 -1.26 -1.09 135.00 138.22 2kvb s PRO 704 Ca 0.04 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.18 2kvb s PRO 704 Cb -0.19 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.88 2kvb s PRO 704 CO -0.07 0.12 0.05 -2.00 0.04 0.00 0.00 177.00 175.14 2kvb s GLU 705 N -2.70 0.18 -0.23 4.56 2.56 0.15 -4.90 118.70 118.32 2kvb s GLU 705 Ca 0.56 -0.14 -0.25 0.00 0.00 0.00 0.00 54.97 55.13 2kvb s GLU 705 Cb -0.13 0.07 -0.00 0.00 2.00 0.00 0.00 34.13 36.07 2kvb s GLU 705 CO 0.18 -0.03 0.86 -0.47 -0.56 0.00 0.00 175.26 175.24 2kvb s TYR 706 N -0.51 3.33 0.00 5.30 5.04 -1.26 0.40 117.35 129.65 2kvb s TYR 706 Ca -0.06 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2kvb s TYR 706 Cb -0.04 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.19 2kvb s TYR 706 CO 0.00 -0.39 0.00 1.04 -1.34 0.00 0.00 175.55 174.86 2kvb n GLN 707 N 5.96 0.00 -3.64 4.97 1.13 -0.78 -4.92 117.38 120.09 2kvb n GLN 707 Ca 0.06 0.03 -0.05 0.00 -1.94 0.00 0.00 57.00 55.10 2kvb n GLN 707 Cb 0.47 -0.35 -0.07 0.00 0.11 0.00 0.00 30.24 30.40 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 -0.09 0.34 -0.05 -1.09 -1.05 -1.22 -5.05 118.70 110.50 2kvb s GLU 708 Ca 0.00 0.47 -0.26 0.00 -0.15 0.00 0.00 54.97 55.03 2kvb s GLU 708 Cb 0.00 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2kvb s GLU 708 CO 0.00 -0.05 0.80 -2.00 0.95 0.00 0.00 175.26 174.96 2kvb s GLU 709 N 0.58 4.47 0.00 -4.83 -6.30 -1.26 -3.56 118.70 107.81 2kvb s GLU 709 Ca -0.01 1.08 0.00 0.00 -2.50 0.00 0.00 54.97 53.54 2kvb s GLU 709 Cb -0.04 -3.46 0.00 0.00 0.00 0.00 0.00 34.13 30.63 2kvb s GLU 709 CO -0.11 0.01 0.00 -3.47 0.02 0.00 0.00 175.26 171.71 2kvb n ASP 710 N 3.89 0.00 -1.97 -1.70 2.03 -1.25 -4.89 116.55 112.66 2kvb n ASP 710 Ca 0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 2kvb n ASP 710 Cb 0.51 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.89 4.95 0.00 1.67 0.23 -1.26 -4.86 115.26 115.09 2kvb n ASN 711 Ca 0.00 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 50.86 2kvb n ASN 711 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2kvb n SER 712 N -0.06 0.00 -4.40 0.53 3.41 -1.26 -4.78 113.62 107.06 2kvb n SER 712 Ca 0.39 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.67 2kvb n SER 712 Cb 1.36 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.92 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 -2.61 2.97 -0.24 6.66 2.01 -1.26 -3.13 115.64 120.04 2kvb s THR 713 Ca 0.00 -0.72 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 2kvb s THR 713 Cb 0.00 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.31 2kvb s THR 713 CO 0.00 0.55 0.99 -0.31 -0.69 0.00 0.00 174.62 175.17 2kvb s TYR 714 N -0.07 3.32 -0.19 4.92 1.51 0.19 -3.97 117.35 123.06 2kvb s TYR 714 Ca -0.03 1.38 -0.10 0.00 -1.01 0.00 0.00 57.07 57.31 2kvb s TYR 714 Cb -0.14 -3.25 -0.05 0.00 -0.11 0.00 0.00 41.96 38.41 2kvb s TYR 714 CO 0.04 -0.48 0.12 -0.80 -1.11 0.00 0.00 175.55 173.32 2kvb s ASN 715 N 1.26 6.17 0.10 2.29 -0.87 -1.23 0.49 114.94 123.14 2kvb s ASN 715 Ca 0.42 0.23 0.08 0.00 -1.57 0.00 0.00 52.86 52.02 2kvb s ASN 715 Cb -0.15 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 2kvb s ASN 715 CO 0.07 0.19 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.29 2kvb s PHE 716 N 0.29 2.63 -0.28 2.20 0.40 -0.19 -1.87 117.98 121.16 2kvb s PHE 716 Ca 0.08 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 2kvb s PHE 716 Cb -0.11 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2kvb s PHE 716 CO -0.02 0.38 0.12 0.50 0.70 0.00 0.00 175.22 176.91 2kvb s ARG 717 N -2.04 3.62 -0.22 0.44 3.52 0.16 -0.04 118.95 124.41 2kvb s ARG 717 Ca 0.19 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 2kvb s ARG 717 Cb -0.11 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2kvb s ARG 717 CO 0.11 -0.26 -0.15 -0.46 -0.81 0.00 0.00 175.30 173.73 2kvb s TRP 718 N 1.65 3.00 -0.47 5.12 -0.11 0.99 0.29 118.94 129.40 2kvb s TRP 718 Ca 0.06 -1.93 -0.21 0.00 1.22 0.00 0.00 56.10 55.24 2kvb s TRP 718 Cb -0.16 -1.93 0.04 0.00 -1.50 0.00 0.00 33.47 29.92 2kvb s TRP 718 CO 0.06 -0.84 0.67 0.71 -4.62 0.00 0.00 176.95 172.94 2kvb s TYR 719 N 1.21 3.03 -0.01 5.86 2.02 -0.25 0.62 117.35 129.82 2kvb s TYR 719 Ca -0.01 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2kvb s TYR 719 Cb -0.16 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 37.91 2kvb s TYR 719 CO -0.09 -0.98 0.03 -0.08 -1.57 0.00 0.00 175.55 172.86 2kvb s THR 720 N 2.89 0.01 0.17 -0.71 -1.32 -0.84 -1.33 115.64 114.51 2kvb s THR 720 Ca 0.21 -0.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.87 2kvb s THR 720 Cb -0.16 -0.07 0.21 0.00 -1.51 0.00 0.00 72.50 70.98 2kvb s THR 720 CO 0.17 -0.03 1.82 0.28 -2.21 0.00 0.00 174.62 174.66 2kvb h SER 721 N 6.01 0.00 0.76 8.08 0.02 -1.79 -3.17 113.55 123.46 2kvb h SER 721 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kvb h SER 721 CO 0.48 0.25 0.00 -1.22 -1.14 0.00 0.00 176.83 175.21 2kvb n TYR 722 N -3.45 0.41 -0.21 3.45 4.01 -1.26 -2.22 117.16 117.89 2kvb n TYR 722 Ca -0.00 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 2kvb n TYR 722 Cb 0.43 -0.74 0.27 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.63 2.35 -3.06 -0.72 0.00 -1.20 -4.82 120.51 111.43 2kvb n ALA 723 Ca 0.04 -1.21 -0.34 0.00 0.00 0.00 0.00 53.44 51.92 2kvb n ALA 723 Cb 0.24 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50