#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 -2.71 0.12 4.31 0.00 -1.26 -5.15 121.76 117.07 2kvb s ALA 579 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.23 2kvb s ALA 579 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2kvb s ALA 579 CO 0.00 -2.28 -0.20 -1.21 0.00 0.00 0.00 175.76 172.07 2kvb s GLU 580 N 1.52 1.15 -0.23 0.00 8.01 -1.26 -5.12 118.70 122.76 2kvb s GLU 580 Ca 0.20 -1.21 -0.04 0.00 0.01 0.00 0.00 54.97 53.93 2kvb s GLU 580 Cb -0.01 -1.36 0.10 0.00 -4.31 0.00 0.00 34.13 28.55 2kvb s GLU 580 CO -0.08 0.31 0.19 0.00 0.01 0.00 0.00 175.26 175.69 2kvb s ALA 581 N -1.38 0.01 0.07 5.21 0.00 -1.26 -5.01 121.76 119.40 2kvb s ALA 581 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2kvb s ALA 581 Cb -0.09 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.54 2kvb s ALA 581 CO 0.05 -1.39 1.35 1.05 0.00 0.00 0.00 175.76 176.82 2kvb h GLU 582 N 8.34 0.58 0.00 0.00 4.11 -2.00 -3.47 114.58 122.14 2kvb h GLU 582 Ca -0.17 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2kvb h GLU 582 Cb 1.11 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kvb h GLU 582 CO 0.33 0.96 0.00 0.34 0.07 0.00 0.00 179.01 180.71 2kvb n PHE 583 N -4.31 0.00 -3.20 2.06 -0.00 -1.26 -5.12 117.46 105.63 2kvb n PHE 583 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 2kvb n PHE 583 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2kvb n LEU 584 N 0.00 0.00 0.00 -2.13 7.94 -1.26 -4.96 117.00 116.59 2kvb n LEU 584 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2kvb n LEU 584 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 2kvb n LEU 584 CO 0.00 0.00 0.44 -1.20 -1.11 0.00 0.00 177.39 175.52 2kvb n SER 585 N -0.71 0.00 -4.33 1.96 7.64 -1.26 -4.55 113.62 112.36 2kvb n SER 585 Ca 0.00 -1.35 -0.34 0.00 1.01 0.00 0.00 58.87 58.19 2kvb n SER 585 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kvb s ARG 586 N -2.00 3.35 -0.07 1.43 3.52 -1.24 -3.24 118.95 120.70 2kvb s ARG 586 Ca 0.05 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.94 2kvb s ARG 586 Cb 0.02 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 2kvb s ARG 586 CO 0.04 0.05 0.09 -0.08 -0.81 0.00 0.00 175.30 174.59 2kvb s THR 587 N 0.77 4.97 -0.09 4.11 -1.32 -0.86 -4.82 115.64 118.40 2kvb s THR 587 Ca -0.04 -0.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 2kvb s THR 587 Cb -0.15 -3.18 0.01 0.00 -1.51 0.00 0.00 72.50 67.66 2kvb s THR 587 CO 0.01 0.53 -0.17 -0.70 -2.21 0.00 0.00 174.62 172.08 2kvb s GLU 588 N -1.23 2.30 0.32 7.08 2.12 -1.26 -1.29 118.70 126.74 2kvb s GLU 588 Ca 0.17 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.96 2kvb s GLU 588 Cb -0.12 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.43 2kvb s GLU 588 CO 0.07 0.06 0.39 0.20 -0.54 0.00 0.00 175.26 175.45 2kvb s GLY 589 N 0.61 1.61 -0.23 -1.50 0.00 -0.10 -4.94 107.32 102.77 2kvb s GLY 589 Ca -0.15 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.09 2kvb s GLY 589 CO 0.05 -1.43 -0.21 1.34 0.00 0.00 0.00 173.10 172.84 2kvb n ASP 590 N -1.52 2.18 -2.93 1.64 2.03 -1.26 -2.74 116.55 113.95 2kvb n ASP 590 Ca -0.02 -0.09 -0.07 0.00 0.52 0.00 0.00 54.79 55.13 2kvb n ASP 590 Cb 0.58 -0.39 0.03 0.00 -0.72 0.00 0.00 41.12 40.62 2kvb n ASP 590 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kvb n ASN 591 N -3.24 0.61 -0.86 1.67 3.02 -1.26 -3.96 115.26 111.25 2kvb n ASN 591 Ca -0.41 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 2kvb n ASN 591 Cb 0.93 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kvb s THR 593 N 0.05 1.15 -0.03 0.00 -4.23 -1.26 -1.64 115.64 109.68 2kvb s THR 593 Ca 0.00 -0.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2kvb s THR 593 Cb 0.00 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.82 2kvb s THR 593 CO 0.00 0.09 -0.11 0.54 -0.54 0.00 0.00 174.62 174.61 2kvb s VAL 594 N -0.72 0.90 -0.11 2.29 0.11 -0.16 -4.34 120.40 118.36 2kvb s VAL 594 Ca 0.03 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2kvb s VAL 594 Cb -0.07 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2kvb s VAL 594 CO 0.01 0.27 -0.16 0.12 -3.33 0.00 0.00 175.10 172.01 2kvb s PHE 595 N 0.14 2.07 -0.25 1.54 5.36 -1.26 -0.50 117.98 125.08 2kvb s PHE 595 Ca -0.03 -0.97 -0.07 0.00 -0.96 0.00 0.00 56.93 54.90 2kvb s PHE 595 Cb -0.09 -1.47 -0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2kvb s PHE 595 CO 0.01 -0.49 0.06 0.34 -1.46 0.00 0.00 175.22 173.67 2kvb s ASP 596 N 0.94 5.01 0.24 6.13 2.15 -1.05 -4.74 116.67 125.34 2kvb s ASP 596 Ca -0.07 -0.29 -0.00 0.00 0.43 0.00 0.00 52.55 52.62 2kvb s ASP 596 Cb -0.15 -1.89 0.27 0.00 -0.30 0.00 0.00 42.92 40.84 2kvb s ASP 596 CO -0.01 -0.05 1.62 0.77 -0.17 0.00 0.00 175.17 177.33 2kvb h SER 597 N 8.22 0.54 -0.01 -0.34 4.64 -1.97 0.11 113.55 124.75 2kvb h SER 597 Ca -0.38 -0.23 -0.26 0.00 -0.47 0.00 0.00 61.79 60.45 2kvb h SER 597 Cb 1.17 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2kvb h SER 597 CO 0.59 0.87 -0.99 0.06 -0.87 0.00 0.00 176.83 176.49 2kvb h GLN 598 N 0.43 0.71 0.00 4.77 3.07 -1.95 -3.21 115.11 118.92 2kvb h GLN 598 Ca 0.04 -0.72 -0.07 0.00 0.09 0.00 0.00 58.65 58.00 2kvb h GLN 598 Cb 0.86 0.19 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 2kvb h GLN 598 CO 0.07 1.30 -0.62 0.00 0.09 0.00 0.00 178.83 179.67 2kvb h ALA 599 N 0.46 0.73 -0.88 0.06 0.00 -1.98 -3.47 119.26 114.17 2kvb h ALA 599 Ca -0.11 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 2kvb h ALA 599 Cb 1.63 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 2kvb h ALA 599 CO 0.19 0.38 -0.24 0.41 0.00 0.00 0.00 179.25 180.00 2kvb n GLY 600 N 1.21 0.85 3.24 0.00 0.00 0.38 -5.00 105.19 105.87 2kvb n GLY 600 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.47 1.86 -0.06 1.61 0.08 -1.20 -5.01 117.98 112.79 2kvb s PHE 601 Ca 0.00 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.68 2kvb s PHE 601 Cb 0.00 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 2kvb s PHE 601 CO 0.00 0.02 -0.01 -1.54 -0.10 0.00 0.00 175.22 173.59 2kvb s SER 602 N -0.76 5.14 -0.06 1.36 1.04 -1.26 -2.54 113.70 116.62 2kvb s SER 602 Ca 0.08 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.60 2kvb s SER 602 Cb -0.08 -1.40 0.02 0.00 0.10 0.00 0.00 66.02 64.66 2kvb s SER 602 CO 0.00 0.35 -0.07 -0.36 0.98 0.00 0.00 173.24 174.13 2kvb s PHE 603 N -0.94 1.06 -0.32 5.02 0.08 0.35 -5.01 117.98 118.20 2kvb s PHE 603 Ca 0.15 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.75 2kvb s PHE 603 Cb -0.11 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 2kvb s PHE 603 CO 0.05 -0.25 0.14 0.34 -0.10 0.00 0.00 175.22 175.39 2kvb s ASP 604 N 0.94 5.44 -0.19 1.36 -1.08 -1.26 -0.99 116.67 120.89 2kvb s ASP 604 Ca -0.10 -0.72 0.16 0.00 -0.52 0.00 0.00 52.55 51.36 2kvb s ASP 604 Cb -0.15 -1.96 0.65 0.00 -1.46 0.00 0.00 42.92 40.00 2kvb s ASP 604 CO 0.00 -0.24 1.56 0.18 0.52 0.00 0.00 175.17 177.19 2kvb n LEU 605 N 4.94 4.64 -0.13 -1.34 7.99 -0.65 -4.65 117.00 127.80 2kvb n LEU 605 Ca -0.13 -2.94 -0.09 0.00 -0.01 0.00 0.00 56.01 52.84 2kvb n LEU 605 Cb 0.48 -0.59 -0.01 0.00 -0.11 0.00 0.00 43.42 43.19 2kvb n LEU 605 CO 0.33 0.66 0.94 0.74 -1.51 0.00 0.00 177.39 178.56 2kvb h THR 606 N 2.78 1.18 0.00 -5.08 2.02 -1.89 -2.70 112.91 109.21 2kvb h THR 606 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2kvb h THR 606 Cb 1.64 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2kvb h THR 606 CO 0.33 0.19 0.00 -0.65 0.37 0.00 0.00 175.52 175.76 2kvb h PRO 607 N 0.48 0.00 0.00 6.66 0.11 -1.93 -2.84 132.00 134.48 2kvb h PRO 607 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2kvb h PRO 607 Cb 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2kvb h PRO 607 CO -0.01 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.65 2kvb h LEU 608 N 0.00 0.00 -9.03 2.35 -0.00 -1.82 -3.42 115.31 103.39 2kvb h LEU 608 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2kvb h LEU 608 Cb 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.98 2kvb h LEU 608 CO 0.00 0.06 0.92 -0.89 -0.00 0.00 0.00 178.44 178.53 2kvb s THR 609 N -3.84 4.28 0.01 0.22 2.01 -1.08 -4.33 115.64 112.91 2kvb s THR 609 Ca -0.01 1.50 0.07 0.00 0.31 0.00 0.00 61.69 63.57 2kvb s THR 609 Cb 0.11 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2kvb s THR 609 CO 0.54 -0.34 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.37 2kvb s LYS 610 N 3.80 2.07 0.08 4.92 1.02 -1.26 -5.01 119.74 125.36 2kvb s LYS 610 Ca 0.53 -0.96 -0.15 0.00 0.02 0.00 0.00 55.97 55.41 2kvb s LYS 610 Cb -0.17 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.89 2kvb s LYS 610 CO 0.18 0.55 1.35 -0.22 -0.92 0.00 0.00 175.35 176.29 2kvb h LYS 611 N 4.99 0.67 -0.08 1.68 1.63 -1.95 -2.72 116.57 120.79 2kvb h LYS 611 Ca -0.46 -0.43 -0.02 0.00 -0.85 0.00 0.00 60.65 58.89 2kvb h LYS 611 Cb 1.14 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 2kvb h LYS 611 CO 0.47 1.05 -0.03 -0.44 -3.45 0.00 0.00 179.45 177.05 2kvb h ASP 612 N 0.37 0.10 -3.52 4.20 5.19 -1.95 -3.29 116.42 117.52 2kvb h ASP 612 Ca 0.01 -0.01 0.21 0.00 -0.62 0.00 0.00 57.03 56.62 2kvb h ASP 612 Cb 1.03 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.46 2kvb h ASP 612 CO 0.09 0.15 -0.28 0.00 -3.12 0.00 0.00 179.24 176.09 2kvb n ALA 613 N -2.51 -1.99 -2.58 3.45 0.00 -1.03 -4.87 120.51 110.97 2kvb n ALA 613 Ca -0.02 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 2kvb n ALA 613 Cb 0.15 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.59 2.80 -0.03 0.00 1.51 0.62 -4.95 117.35 115.70 2kvb s TYR 614 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2kvb s TYR 614 Cb 0.00 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 2kvb s TYR 614 CO 0.00 0.38 -0.10 0.21 -1.11 0.00 0.00 175.55 174.93 2kvb s LYS 615 N -1.75 1.02 0.02 -0.62 2.20 -1.26 -0.25 119.74 119.10 2kvb s LYS 615 Ca 0.19 -0.33 0.09 0.00 -0.36 0.00 0.00 55.97 55.55 2kvb s LYS 615 Cb -0.11 -0.95 -0.02 0.00 -1.51 0.00 0.00 37.83 35.24 2kvb s LYS 615 CO 0.10 0.13 -0.26 0.08 -0.36 0.00 0.00 175.35 175.04 2kvb s VAL 616 N 0.16 2.08 0.03 4.02 1.01 0.47 -4.95 120.40 123.23 2kvb s VAL 616 Ca -0.03 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 60.78 2kvb s VAL 616 Cb -0.09 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2kvb s VAL 616 CO 0.01 0.46 -0.24 -1.61 0.00 0.00 0.00 175.10 173.71 2kvb s GLU 617 N -0.95 1.73 0.00 2.72 2.02 -1.26 0.25 118.70 123.20 2kvb s GLU 617 Ca 0.11 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2kvb s GLU 617 Cb -0.10 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2kvb s GLU 617 CO 0.01 0.48 0.00 0.25 0.02 0.00 0.00 175.26 176.02 2kvb n THR 618 N 1.94 0.00 -0.01 3.63 -2.24 0.90 -4.98 114.28 113.51 2kvb n THR 618 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2kvb n THR 618 Cb 0.52 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.10 0.00 3.42 3.32 -2.04 -3.37 116.42 117.86 2kvb h ASP 619 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kvb h ASP 619 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2kvb h ASP 619 CO 0.00 0.08 0.00 2.29 -1.72 0.00 0.00 179.24 179.89 2kvb n LYS 620 N -5.03 0.49 -4.36 3.56 0.00 -1.26 -5.05 118.16 106.51 2kvb n LYS 620 Ca -0.05 -0.58 -0.19 0.00 -0.00 0.00 0.00 58.31 57.50 2kvb n LYS 620 Cb 0.04 -0.65 -0.10 0.00 -0.00 0.00 0.00 35.03 34.32 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2kvb s TYR 621 N -0.20 1.76 0.06 5.58 1.51 -1.26 -0.83 117.35 123.98 2kvb s TYR 621 Ca 0.00 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2kvb s TYR 621 Cb 0.00 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 2kvb s TYR 621 CO 0.00 0.38 -0.08 -1.83 -1.11 0.00 0.00 175.55 172.91 2kvb s GLU 622 N -3.64 0.62 -0.17 -0.62 -1.05 -0.81 -0.07 118.70 112.96 2kvb s GLU 622 Ca 0.23 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.16 2kvb s GLU 622 Cb -0.01 -0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.37 2kvb s GLU 622 CO 0.08 0.05 -0.18 -0.06 0.95 0.00 0.00 175.26 176.10 2kvb s PHE 623 N -1.83 2.77 -0.21 4.83 0.40 0.14 -1.82 117.98 122.25 2kvb s PHE 623 Ca -0.05 -1.32 -0.05 0.00 -0.60 0.00 0.00 56.93 54.91 2kvb s PHE 623 Cb -0.07 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2kvb s PHE 623 CO -0.00 -0.63 0.00 -1.58 0.70 0.00 0.00 175.22 173.70 2kvb s HIS 624 N 1.04 3.03 0.04 0.36 2.46 0.60 -0.39 115.29 122.43 2kvb s HIS 624 Ca -0.01 -0.55 -0.01 0.00 0.47 0.00 0.00 55.06 54.96 2kvb s HIS 624 Cb -0.14 -2.11 -0.03 0.00 -0.13 0.00 0.00 32.58 30.16 2kvb s HIS 624 CO -0.05 -0.32 -0.02 0.96 -2.47 0.00 0.00 174.74 172.83 2kvb s ILE 625 N 1.20 0.17 0.05 0.89 -4.36 0.65 -0.24 121.20 119.57 2kvb s ILE 625 Ca 0.03 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 2kvb s ILE 625 Cb -0.15 -0.99 -0.03 0.00 1.25 0.00 0.00 42.46 42.55 2kvb s ILE 625 CO 0.01 -0.78 -0.12 0.21 0.24 0.00 0.00 174.94 174.51 2kvb s ASN 626 N -2.30 1.35 -0.39 4.36 2.47 -0.47 -0.28 114.94 119.68 2kvb s ASN 626 Ca -0.03 -0.55 -0.28 0.00 0.42 0.00 0.00 52.86 52.42 2kvb s ASN 626 Cb 0.00 -0.03 0.02 0.00 -1.45 0.00 0.00 41.25 39.80 2kvb s ASN 626 CO -0.06 -0.10 1.07 -0.69 -3.72 0.00 0.00 177.10 173.60 2kvb s VAL 627 N -1.19 4.41 0.17 -5.21 1.01 -1.26 -4.79 120.40 113.54 2kvb s VAL 627 Ca -0.04 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2kvb s VAL 627 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2kvb s VAL 627 CO 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 175.10 174.42 2kvb n GLY 629 N -1.42 -0.09 3.94 0.00 0.00 0.37 -4.83 105.19 103.15 2kvb n GLY 629 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 2.14 -0.17 1.61 0.04 -1.26 -3.50 135.00 133.87 2kvb s PRO 630 Ca 0.00 -0.40 -0.06 0.00 0.04 0.00 0.00 61.00 60.58 2kvb s PRO 630 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2kvb s PRO 630 CO 0.00 -1.23 0.02 0.54 0.04 0.00 0.00 177.00 176.38 2kvb s VAL 631 N -3.20 4.44 -1.13 -0.36 0.11 0.12 -4.79 120.40 115.60 2kvb s VAL 631 Ca 0.61 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.40 2kvb s VAL 631 Cb -0.10 -2.98 0.27 0.00 -1.53 0.00 0.00 36.38 32.04 2kvb s VAL 631 CO 0.44 0.48 1.17 -0.24 -3.33 0.00 0.00 175.10 173.63 2kvb n SER 632 N 3.43 5.52 -4.23 3.54 2.88 -1.24 -4.64 113.62 118.87 2kvb n SER 632 Ca -0.17 -3.04 -0.26 0.00 -1.33 0.00 0.00 58.87 54.07 2kvb n SER 632 Cb 0.52 -1.40 -0.15 0.00 -0.75 0.00 0.00 64.21 62.44 2kvb n SER 632 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kvb s VAL 633 N -1.00 1.61 -0.61 2.46 1.01 -1.26 -4.67 120.40 117.94 2kvb s VAL 633 Ca 0.32 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2kvb s VAL 633 Cb -0.09 -1.38 0.39 0.00 0.00 0.00 0.00 36.38 35.30 2kvb s VAL 633 CO -0.06 0.28 1.12 0.61 0.00 0.00 0.00 175.10 177.04 2kvb n GLY 634 N 2.10 2.29 0.12 4.51 0.00 -1.26 -3.38 105.19 109.56 2kvb n GLY 634 Ca -0.16 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 0.25 2.84 -2.56 4.61 0.00 -1.26 -5.02 120.51 119.38 2kvb n ALA 635 Ca 0.14 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 2kvb n ALA 635 Cb 0.73 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.78 3.93 0.12 0.00 0.04 -1.26 -4.65 135.00 129.41 2kvb s PRO 637 Ca 0.04 2.31 0.15 0.00 0.04 0.00 0.00 61.00 63.54 2kvb s PRO 637 Cb 0.05 -2.78 0.69 0.00 0.04 0.00 0.00 34.50 32.49 2kvb s PRO 637 CO -0.11 -0.58 1.48 -0.35 0.04 0.00 0.00 177.00 177.48 2kvb n PRO 638 N 0.13 0.08 0.00 0.56 -0.04 -1.26 -1.89 135.00 132.58 2kvb n PRO 638 Ca 0.03 0.40 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 2kvb n PRO 638 Cb 0.42 -1.67 0.68 0.00 -0.04 0.00 0.00 33.50 32.89 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kvb n ASP 639 N -1.82 0.48 -4.75 3.54 5.75 -1.26 -4.55 116.55 113.93 2kvb n ASP 639 Ca 0.02 -0.77 -0.32 0.00 -0.01 0.00 0.00 54.79 53.71 2kvb n ASP 639 Cb 0.13 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.09 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2kvb s SER 640 N -2.31 5.46 -0.00 -1.12 1.04 -0.79 -0.25 113.70 115.73 2kvb s SER 640 Ca 0.34 0.06 0.19 0.00 0.48 0.00 0.00 55.95 57.03 2kvb s SER 640 Cb 0.21 -1.50 -0.22 0.00 0.10 0.00 0.00 66.02 64.60 2kvb s SER 640 CO 0.43 0.26 0.77 0.61 0.98 0.00 0.00 173.24 176.29 2kvb n GLY 641 N 1.11 -0.84 2.93 7.32 0.00 0.33 0.13 105.19 116.17 2kvb n GLY 641 Ca -0.13 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.90 -0.34 -0.01 4.61 0.00 -1.19 -1.36 121.76 120.57 2kvb s ALA 642 Ca 0.05 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 52.76 2kvb s ALA 642 Cb 0.14 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2kvb s ALA 642 CO 0.80 -0.39 0.02 0.00 0.00 0.00 0.00 175.76 176.19 2kvb s GLN 644 N 0.51 2.79 -0.02 0.00 -2.07 -1.00 -0.29 119.66 119.58 2kvb s GLN 644 Ca -0.04 -0.60 0.01 0.00 -1.82 0.00 0.00 55.36 52.91 2kvb s GLN 644 Cb -0.06 -2.67 0.01 0.00 -1.09 0.00 0.00 33.01 29.20 2kvb s GLN 644 CO -0.01 0.63 -0.05 0.54 -1.32 0.00 0.00 175.29 175.08 2kvb s VAL 645 N -1.08 0.46 -0.27 3.63 0.11 -0.75 -0.59 120.40 121.91 2kvb s VAL 645 Ca 0.19 -0.16 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 2kvb s VAL 645 Cb -0.12 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2kvb s VAL 645 CO 0.10 0.18 0.94 -0.55 -3.33 0.00 0.00 175.10 172.44 2kvb s SER 646 N 0.46 6.91 0.48 3.54 0.15 0.34 -1.92 113.70 123.66 2kvb s SER 646 Ca -0.06 1.08 0.27 0.00 0.70 0.00 0.00 55.95 57.95 2kvb s SER 646 Cb -0.09 -2.49 1.04 0.00 -1.71 0.00 0.00 66.02 62.77 2kvb s SER 646 CO -0.00 -0.66 1.87 0.08 1.20 0.00 0.00 173.24 175.73 2kvb h ARG 647 N 7.77 0.00 0.06 5.44 0.11 -1.31 0.26 114.38 126.72 2kvb h ARG 647 Ca -0.21 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.75 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 0.94 0.15 -0.54 0.77 0.10 0.00 0.00 179.97 181.39 2kvb h SER 648 N 0.00 0.19 0.37 0.08 0.02 -1.90 -3.40 113.55 108.91 2kvb h SER 648 Ca -0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2kvb h SER 648 Cb 0.68 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2kvb h SER 648 CO 0.02 1.24 -1.58 -0.67 -1.14 0.00 0.00 176.83 174.71 2kvb n ASP 649 N -4.36 0.35 -0.61 3.07 2.03 -1.18 -4.98 116.55 110.87 2kvb n ASP 649 Ca -0.15 0.08 -0.08 0.00 0.52 0.00 0.00 54.79 55.16 2kvb n ASP 649 Cb 0.66 1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 42.40 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kvb n ARG 650 N -2.37 -0.84 -4.01 -0.67 3.00 0.92 -4.99 116.66 107.69 2kvb n ARG 650 Ca -0.02 0.71 -0.23 0.00 -0.01 0.00 0.00 57.85 58.30 2kvb n ARG 650 Cb 0.55 -4.63 -0.03 0.00 0.00 0.00 0.00 32.46 28.35 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 -2.40 3.25 0.04 5.56 1.02 -1.25 -4.86 119.74 121.09 2kvb s LYS 651 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.22 2kvb s LYS 651 Cb 0.00 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2kvb s LYS 651 CO 0.00 0.45 -0.10 -1.54 -0.92 0.00 0.00 175.35 173.25 2kvb s SER 652 N -3.65 1.11 0.24 2.83 1.04 -1.26 -0.50 113.70 113.52 2kvb s SER 652 Ca 0.33 -0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.40 2kvb s SER 652 Cb -0.09 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 2kvb s SER 652 CO 0.27 -0.09 -0.17 0.26 0.98 0.00 0.00 173.24 174.50 2kvb s TRP 653 N -1.03 1.98 -0.26 5.02 0.51 0.24 -4.96 118.94 120.44 2kvb s TRP 653 Ca -0.04 -0.47 -0.15 0.00 -2.12 0.00 0.00 56.10 53.31 2kvb s TRP 653 Cb -0.08 -0.89 -0.04 0.00 -0.81 0.00 0.00 33.47 31.65 2kvb s TRP 653 CO 0.01 0.52 0.39 1.21 -0.51 0.00 0.00 176.95 178.56 2kvb s ASN 654 N -3.41 6.30 -0.14 2.95 3.84 -1.26 -2.37 114.94 120.85 2kvb s ASN 654 Ca 0.26 0.35 0.15 0.00 0.21 0.00 0.00 52.86 53.84 2kvb s ASN 654 Cb -0.02 -2.22 0.56 0.00 -0.55 0.00 0.00 41.25 39.01 2kvb s ASN 654 CO 0.11 -0.17 1.47 0.18 -2.79 0.00 0.00 177.10 175.89 2kvb n LEU 655 N 5.19 4.09 0.00 3.21 4.77 0.17 -2.19 117.00 132.24 2kvb n LEU 655 Ca -0.08 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 2kvb n LEU 655 Cb 0.51 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kvb n LEU 655 CO 0.38 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 2kvb n GLY 656 N 0.07 3.56 3.71 -0.72 0.00 -1.18 -1.45 105.19 109.19 2kvb n GLY 656 Ca 0.21 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.84 1.02 0.03 1.61 0.52 -1.26 -0.52 118.95 117.52 2kvb s ARG 657 Ca 0.00 0.67 -0.33 0.00 -0.52 0.00 0.00 55.73 55.55 2kvb s ARG 657 Cb 0.00 -1.79 -0.12 0.00 0.52 0.00 0.00 34.95 33.56 2kvb s ARG 657 CO 0.00 -2.37 1.82 -1.13 0.02 0.00 0.00 175.30 173.64 2kvb n SER 658 N -3.95 3.61 -3.64 0.23 3.41 0.65 -3.78 113.62 110.15 2kvb n SER 658 Ca 0.06 0.99 -0.10 0.00 -0.26 0.00 0.00 58.87 59.56 2kvb n SER 658 Cb 0.56 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.03 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 3.08 -0.32 -0.00 4.04 2.47 -1.23 -4.89 114.94 118.09 2kvb s ASN 659 Ca 0.86 -0.33 0.01 0.00 0.42 0.00 0.00 52.86 53.82 2kvb s ASN 659 Cb -0.61 0.56 0.01 0.00 -1.45 0.00 0.00 41.25 39.76 2kvb s ASN 659 CO 0.44 -0.98 0.84 0.00 -3.72 0.00 0.00 177.10 173.68 2kvb n ALA 660 N -0.32 1.68 -2.00 1.71 0.00 -1.26 -0.48 120.51 119.85 2kvb n ALA 660 Ca -0.13 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.06 2kvb n ALA 660 Cb 0.63 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.09 2.57 0.03 0.00 -0.14 -1.25 -4.06 119.74 116.80 2kvb s LYS 661 Ca 0.01 0.57 -0.25 0.00 -1.36 0.00 0.00 55.97 54.94 2kvb s LYS 661 Cb 0.01 -4.47 -0.05 0.00 -1.68 0.00 0.00 37.83 31.64 2kvb s LYS 661 CO 0.00 -2.85 0.78 -0.51 -0.76 0.00 0.00 175.35 172.01 2kvb s LEU 662 N 9.44 4.43 -0.12 3.17 1.43 -1.11 -2.32 118.68 133.60 2kvb s LEU 662 Ca 0.70 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 2kvb s LEU 662 Cb -0.12 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2kvb s LEU 662 CO 0.19 -0.02 -0.23 -0.44 0.23 0.00 0.00 176.35 176.08 2kvb s SER 663 N 0.11 3.12 -0.22 2.29 0.01 0.94 -0.93 113.70 119.03 2kvb s SER 663 Ca 0.40 -0.58 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 2kvb s SER 663 Cb -0.20 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 2kvb s SER 663 CO 0.23 0.12 -0.05 -0.47 0.41 0.00 0.00 173.24 173.48 2kvb s TYR 664 N 0.57 2.95 -0.08 2.43 6.14 -0.42 0.16 117.35 129.12 2kvb s TYR 664 Ca -0.13 -0.99 -0.01 0.00 0.64 0.00 0.00 57.07 56.58 2kvb s TYR 664 Cb -0.17 -2.10 -0.03 0.00 0.42 0.00 0.00 41.96 40.08 2kvb s TYR 664 CO 0.04 -0.57 0.00 0.71 0.64 0.00 0.00 175.55 176.37 2kvb s TYR 665 N 1.47 3.15 -0.39 4.97 2.02 -1.08 -2.03 117.35 125.46 2kvb s TYR 665 Ca 0.06 0.18 -0.44 0.00 -0.37 0.00 0.00 57.07 56.50 2kvb s TYR 665 Cb -0.14 -1.77 -0.18 0.00 -0.40 0.00 0.00 41.96 39.46 2kvb s TYR 665 CO -0.04 0.47 1.62 -0.40 -1.57 0.00 0.00 175.55 175.63 2kvb n ASP 666 N 2.04 1.55 0.00 2.29 5.75 -1.20 -1.44 116.55 125.54 2kvb n ASP 666 Ca -0.18 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.75 2kvb n ASP 666 Cb 0.53 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kvb n GLY 667 N 3.91 2.92 2.91 6.12 0.00 -1.26 -5.03 105.19 114.76 2kvb n GLY 667 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.11 0.26 1.61 -1.94 -0.52 -5.00 119.30 113.82 2kvb s MET 668 Ca 0.00 -0.21 -0.30 0.00 -1.71 0.00 0.00 55.69 53.48 2kvb s MET 668 Cb 0.00 0.04 -0.09 0.00 2.01 0.00 0.00 34.83 36.79 2kvb s MET 668 CO 0.00 -0.02 1.15 0.42 -0.01 0.00 0.00 175.02 176.56 2kvb s ILE 669 N -0.51 3.44 0.08 2.53 1.09 -1.23 -2.65 121.20 123.95 2kvb s ILE 669 Ca -0.06 1.37 0.03 0.00 -1.10 0.00 0.00 60.65 60.89 2kvb s ILE 669 Cb -0.03 -3.87 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2kvb s ILE 669 CO -0.00 0.30 -0.08 -1.10 -0.10 0.00 0.00 174.94 173.95 2kvb s GLN 670 N -1.13 0.74 -0.15 2.79 -0.21 0.12 0.10 119.66 121.93 2kvb s GLN 670 Ca 0.47 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.78 2kvb s GLN 670 Cb -0.33 -0.35 0.01 0.00 1.00 0.00 0.00 33.01 33.34 2kvb s GLN 670 CO 0.41 0.04 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.24 2kvb s LEU 671 N -2.37 2.14 -0.25 2.90 0.20 -0.20 -0.04 118.68 121.06 2kvb s LEU 671 Ca 0.03 -0.60 -0.08 0.00 0.69 0.00 0.00 54.13 54.17 2kvb s LEU 671 Cb -0.02 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 2kvb s LEU 671 CO -0.01 0.07 0.08 -0.89 -0.29 0.00 0.00 176.35 175.30 2kvb s THR 672 N 0.86 4.37 0.55 3.68 2.01 -0.98 -2.04 115.64 124.09 2kvb s THR 672 Ca -0.06 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.85 2kvb s THR 672 Cb -0.15 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.37 2kvb s THR 672 CO -0.03 0.34 0.76 -0.31 -0.69 0.00 0.00 174.62 174.68 2kvb s TYR 673 N 1.61 2.15 1.01 4.92 2.02 -0.71 -4.36 117.35 123.98 2kvb s TYR 673 Ca 0.06 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.19 2kvb s TYR 673 Cb -0.15 -2.51 0.22 0.00 -0.40 0.00 0.00 41.96 39.12 2kvb s TYR 673 CO 0.04 -0.97 1.29 1.03 -1.57 0.00 0.00 175.55 175.36 2kvb s ARG 674 N -4.67 0.28 0.32 -0.62 1.81 -1.25 -4.65 118.95 110.17 2kvb s ARG 674 Ca 0.60 -0.36 0.04 0.00 -1.72 0.00 0.00 55.73 54.29 2kvb s ARG 674 Cb -0.08 -1.80 0.65 0.00 -0.45 0.00 0.00 34.95 33.27 2kvb s ARG 674 CO 0.38 -2.67 1.88 0.38 -0.68 0.00 0.00 175.30 174.60 2kvb h ASP 675 N -1.82 0.81 0.00 0.23 2.03 -1.92 -3.37 116.42 112.38 2kvb h ASP 675 Ca -0.44 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2kvb h ASP 675 Cb 1.24 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2kvb h ASP 675 CO 0.37 0.46 0.00 0.61 -1.03 0.00 0.00 179.24 179.65 2kvb n GLY 676 N -1.40 3.62 2.97 7.15 0.00 -1.25 -1.70 105.19 114.58 2kvb n GLY 676 Ca 0.16 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 1.34 0.76 2.61 2.01 -0.93 -4.86 115.64 116.58 2kvb s THR 677 Ca 0.00 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 2kvb s THR 677 Cb 0.00 -1.29 0.06 0.00 0.01 0.00 0.00 72.50 71.28 2kvb s THR 677 CO 0.00 0.42 1.19 -2.16 -0.69 0.00 0.00 174.62 173.38 2kvb s PRO 678 N 1.56 1.96 0.35 4.92 0.04 -1.26 -3.22 135.00 139.36 2kvb s PRO 678 Ca 0.05 1.68 0.25 0.00 0.04 0.00 0.00 61.00 63.01 2kvb s PRO 678 Cb -0.13 -1.82 1.28 0.00 0.04 0.00 0.00 34.50 33.87 2kvb s PRO 678 CO -0.09 -1.95 1.75 1.88 0.04 0.00 0.00 177.00 178.62 2kvb h TYR 679 N -0.61 0.00 -3.56 0.56 0.05 -1.45 -3.45 116.97 108.51 2kvb h TYR 679 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2kvb h TYR 679 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 2kvb h TYR 679 CO 0.48 0.00 -0.01 0.09 -1.05 0.00 0.00 178.16 177.67 2kvb n ASN 680 N -2.36 -3.38 -4.81 3.88 3.02 -1.26 -5.05 115.26 105.30 2kvb n ASN 680 Ca -0.01 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.25 2kvb n ASN 680 Cb 0.07 -2.03 -0.05 0.00 -0.61 0.00 0.00 39.78 37.17 2kvb n ASN 680 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2kvb s ASN 681 N -2.14 4.34 0.43 6.41 0.01 -1.26 -4.96 114.94 117.78 2kvb s ASN 681 Ca 0.01 -1.43 0.21 0.00 -0.71 0.00 0.00 52.86 50.93 2kvb s ASN 681 Cb -0.00 0.34 0.97 0.00 0.41 0.00 0.00 41.25 42.97 2kvb s ASN 681 CO 0.18 -0.90 1.88 -0.08 -1.51 0.00 0.00 177.10 176.67 2kvb h GLU 682 N 1.15 0.00 -0.01 -0.60 4.81 -2.02 -1.64 114.58 116.27 2kvb h GLU 682 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2kvb h GLU 682 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2kvb h GLU 682 CO 0.68 0.27 -0.14 1.17 -0.73 0.00 0.00 179.01 180.25 2kvb n LYS 683 N -3.70 1.02 -3.89 1.92 4.81 -1.26 -4.95 118.16 112.12 2kvb n LYS 683 Ca -0.01 -0.53 -0.27 0.00 -0.87 0.00 0.00 58.31 56.62 2kvb n LYS 683 Cb 0.38 -1.49 0.02 0.00 0.02 0.00 0.00 35.03 33.96 2kvb n LYS 683 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kvb n ARG 684 N -0.53 -4.79 -2.00 1.64 5.12 -0.62 -4.87 116.66 110.62 2kvb n ARG 684 Ca 0.15 0.55 -0.43 0.00 -1.93 0.00 0.00 57.85 56.20 2kvb n ARG 684 Cb 0.32 -5.22 -0.03 0.00 -1.16 0.00 0.00 32.46 26.38 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2kvb s THR 685 N -3.51 3.53 0.43 0.55 2.01 -1.26 -4.77 115.64 112.62 2kvb s THR 685 Ca 0.38 0.60 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 2kvb s THR 685 Cb -0.19 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2kvb s THR 685 CO 0.84 -0.22 1.38 -2.16 -0.69 0.00 0.00 174.62 173.77 2kvb s PRO 686 N 4.84 3.82 -0.20 4.92 0.04 -1.26 -1.16 135.00 146.00 2kvb s PRO 686 Ca 0.77 2.32 -0.23 0.00 0.04 0.00 0.00 61.00 63.90 2kvb s PRO 686 Cb -0.28 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 2kvb s PRO 686 CO 0.31 -0.67 0.73 1.03 0.04 0.00 0.00 177.00 178.44 2kvb s ARG 687 N -2.35 4.22 0.18 4.56 0.52 -0.69 -4.79 118.95 120.60 2kvb s ARG 687 Ca 0.59 0.79 0.06 0.00 -0.52 0.00 0.00 55.73 56.65 2kvb s ARG 687 Cb -0.42 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 2kvb s ARG 687 CO 0.54 -0.33 -0.13 0.00 0.02 0.00 0.00 175.30 175.39 2kvb s ALA 688 N 2.21 1.77 -0.10 2.13 0.00 -1.24 -3.11 121.76 123.43 2kvb s ALA 688 Ca 0.32 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.73 2kvb s ALA 688 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2kvb s ALA 688 CO 0.10 -0.00 -0.20 0.99 0.00 0.00 0.00 175.76 176.65 2kvb s THR 689 N -3.11 2.46 -0.19 0.00 2.01 -0.53 -0.10 115.64 116.18 2kvb s THR 689 Ca 0.20 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2kvb s THR 689 Cb 0.01 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.59 2kvb s THR 689 CO 0.04 0.55 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.20 2kvb s LEU 690 N 0.18 2.20 -0.23 4.42 1.98 0.15 -1.74 118.68 125.64 2kvb s LEU 690 Ca -0.11 -0.84 -0.09 0.00 -2.89 0.00 0.00 54.13 50.20 2kvb s LEU 690 Cb -0.16 -1.22 -0.04 0.00 0.66 0.00 0.00 46.19 45.43 2kvb s LEU 690 CO 0.06 -0.13 0.11 -0.63 -1.89 0.00 0.00 176.35 173.87 2kvb s ILE 691 N 1.41 4.90 -0.27 6.68 1.01 -0.87 -1.76 121.20 132.31 2kvb s ILE 691 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2kvb s ILE 691 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2kvb s ILE 691 CO -0.08 0.37 0.15 -0.89 0.00 0.00 0.00 174.94 174.49 2kvb s THR 692 N 1.04 4.99 -0.19 2.92 2.01 0.14 -1.04 115.64 125.51 2kvb s THR 692 Ca 0.06 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2kvb s THR 692 Cb -0.14 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2kvb s THR 692 CO 0.04 0.26 0.15 -0.36 -0.69 0.00 0.00 174.62 174.02 2kvb s PHE 693 N 1.71 3.43 0.33 4.92 0.40 0.12 0.04 117.98 128.93 2kvb s PHE 693 Ca 0.07 0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.86 2kvb s PHE 693 Cb -0.16 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 2kvb s PHE 693 CO 0.09 0.31 0.03 -0.51 0.70 0.00 0.00 175.22 175.84 2kvb s LEU 694 N 0.28 3.05 -0.37 -0.37 2.01 0.16 -3.47 118.68 119.97 2kvb s LEU 694 Ca 0.09 -0.91 -0.29 0.00 0.01 0.00 0.00 54.13 53.03 2kvb s LEU 694 Cb -0.11 -1.46 0.01 0.00 0.01 0.00 0.00 46.19 44.63 2kvb s LEU 694 CO -0.01 -0.21 1.36 0.00 1.01 0.00 0.00 176.35 178.50 2kvb s ASP 696 N 3.43 6.78 0.00 0.00 2.15 -1.05 -4.86 116.67 123.12 2kvb s ASP 696 Ca 0.59 0.95 0.00 0.00 0.43 0.00 0.00 52.55 54.52 2kvb s ASP 696 Cb -0.15 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2kvb s ASP 696 CO 0.29 0.22 0.14 -1.14 -0.17 0.00 0.00 175.17 174.51 2kvb n ARG 697 N 1.28 0.00 -3.34 4.34 0.00 -1.26 -4.31 116.66 113.37 2kvb n ARG 697 Ca -0.10 0.49 -0.09 0.00 -0.00 0.00 0.00 57.85 58.16 2kvb n ARG 697 Cb 0.52 -1.06 -0.08 0.00 0.00 0.00 0.00 32.46 31.84 2kvb n ARG 697 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2kvb s ASP 698 N -2.83 0.17 0.00 6.15 2.15 -1.26 -4.87 116.67 116.18 2kvb s ASP 698 Ca 0.00 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.23 2kvb s ASP 698 Cb 0.00 1.16 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 2kvb s ASP 698 CO 0.00 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.70 2kvb n ALA 699 N 5.37 1.56 0.00 3.66 0.00 -1.26 -5.12 120.51 124.72 2kvb n ALA 699 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 0.89 1.19 0.12 0.00 0.00 -1.26 -4.66 105.19 101.48 2kvb n GLY 700 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 1.46 0.00 1.61 3.04 -1.98 -3.08 116.25 117.31 2kvb h VAL 701 Ca 0.00 -2.84 0.00 0.00 -1.01 0.00 0.00 66.70 62.85 2kvb h VAL 701 Cb 0.00 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 2kvb h VAL 701 CO 0.00 0.84 0.00 0.61 -1.01 0.00 0.00 177.57 178.01 2kvb n GLY 702 N 1.33 -0.72 3.51 3.17 0.00 -1.26 -4.50 105.19 106.72 2kvb n GLY 702 Ca -0.08 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.15 2.79 0.30 1.61 0.40 -1.26 -4.94 117.98 113.73 2kvb s PHE 703 Ca 0.00 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 56.01 2kvb s PHE 703 Cb 0.00 -1.67 -0.09 0.00 0.51 0.00 0.00 43.02 41.77 2kvb s PHE 703 CO 0.00 0.22 0.83 -1.25 0.70 0.00 0.00 175.22 175.73 2kvb s PRO 704 N -0.71 4.32 0.02 0.24 0.04 -1.26 -3.54 135.00 134.11 2kvb s PRO 704 Ca 0.11 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.23 2kvb s PRO 704 Cb -0.11 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2kvb s PRO 704 CO 0.01 0.26 -0.11 -2.00 0.04 0.00 0.00 177.00 175.19 2kvb s GLU 705 N -2.32 2.36 -0.30 4.56 2.56 0.17 -4.84 118.70 120.88 2kvb s GLU 705 Ca 0.50 -0.83 -0.12 0.00 0.00 0.00 0.00 54.97 54.52 2kvb s GLU 705 Cb -0.15 -2.37 -0.04 0.00 2.00 0.00 0.00 34.13 33.57 2kvb s GLU 705 CO 0.20 0.58 0.23 -0.47 -0.56 0.00 0.00 175.26 175.23 2kvb s TYR 706 N -0.96 3.22 0.00 5.30 5.04 -1.26 -0.06 117.35 128.63 2kvb s TYR 706 Ca 0.16 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2kvb s TYR 706 Cb -0.11 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 39.77 2kvb s TYR 706 CO 0.06 -0.23 0.02 1.04 -1.34 0.00 0.00 175.55 175.11 2kvb n GLN 707 N 5.11 0.00 -3.65 4.97 3.00 -1.05 -5.00 117.38 120.76 2kvb n GLN 707 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.83 2kvb n GLN 707 Cb 0.51 -0.24 -0.07 0.00 0.00 0.00 0.00 30.24 30.45 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2kvb s GLU 708 N -0.04 0.23 0.10 -1.09 0.41 -1.26 -5.09 118.70 111.96 2kvb s GLU 708 Ca 0.00 0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 54.58 2kvb s GLU 708 Cb 0.00 0.09 -0.06 0.00 -1.78 0.00 0.00 34.13 32.38 2kvb s GLU 708 CO 0.00 -0.04 1.11 -2.00 -0.49 0.00 0.00 175.26 173.84 2kvb s GLU 709 N 0.56 4.53 0.11 1.61 -6.30 -1.26 -4.41 118.70 113.55 2kvb s GLU 709 Ca -0.00 1.67 0.00 0.00 -2.50 0.00 0.00 54.97 54.13 2kvb s GLU 709 Cb -0.04 -3.34 0.00 0.00 0.00 0.00 0.00 34.13 30.75 2kvb s GLU 709 CO -0.12 -0.06 0.00 -3.47 0.02 0.00 0.00 175.26 171.63 2kvb n ASP 710 N 3.25 -0.95 -1.59 -1.70 2.03 -1.26 -4.94 116.55 111.40 2kvb n ASP 710 Ca 0.06 0.21 -0.04 0.00 0.52 0.00 0.00 54.79 55.53 2kvb n ASP 710 Cb 0.47 1.22 0.01 0.00 -0.72 0.00 0.00 41.12 42.11 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 -2.73 5.56 0.00 1.67 6.94 -1.26 -4.76 115.26 120.67 2kvb n ASN 711 Ca 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 2kvb n ASN 711 Cb 0.00 -1.09 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2kvb n SER 712 N 1.15 0.00 -3.84 0.53 3.41 -1.26 -4.90 113.62 108.72 2kvb n SER 712 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 2kvb n SER 712 Cb 0.53 -1.70 -0.10 0.00 -0.26 0.00 0.00 64.21 62.67 2kvb n SER 712 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2kvb s THR 713 N -1.94 0.05 -0.20 6.66 -1.32 -1.26 -3.67 115.64 113.96 2kvb s THR 713 Ca 0.00 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.76 2kvb s THR 713 Cb 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 2kvb s THR 713 CO 0.00 -0.24 1.01 -0.31 -2.21 0.00 0.00 174.62 172.87 2kvb s TYR 714 N -0.88 3.38 -0.23 9.09 1.51 0.85 -4.16 117.35 126.92 2kvb s TYR 714 Ca -0.10 1.46 -0.10 0.00 -1.01 0.00 0.00 57.07 57.32 2kvb s TYR 714 Cb -0.05 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.52 2kvb s TYR 714 CO 0.01 -0.41 0.15 -0.80 -1.11 0.00 0.00 175.55 173.39 2kvb s ASN 715 N 1.19 6.15 0.01 2.29 -0.87 -1.25 0.31 114.94 122.77 2kvb s ASN 715 Ca 0.44 0.15 0.06 0.00 -1.57 0.00 0.00 52.86 51.94 2kvb s ASN 715 Cb -0.16 -2.10 -0.03 0.00 -0.02 0.00 0.00 41.25 38.94 2kvb s ASN 715 CO 0.09 0.11 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.21 2kvb s PHE 716 N 0.81 2.64 -0.28 2.20 0.40 -0.72 -2.54 117.98 120.48 2kvb s PHE 716 Ca 0.08 -0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 2kvb s PHE 716 Cb -0.13 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 2kvb s PHE 716 CO 0.02 0.25 0.12 0.50 0.70 0.00 0.00 175.22 176.81 2kvb s ARG 717 N -1.26 3.56 -0.18 0.44 3.52 0.91 0.24 118.95 126.17 2kvb s ARG 717 Ca 0.14 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2kvb s ARG 717 Cb -0.11 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2kvb s ARG 717 CO 0.04 -0.28 -0.14 -0.46 -0.81 0.00 0.00 175.30 173.65 2kvb s TRP 718 N 1.63 2.83 -0.58 5.12 -0.11 0.11 0.42 118.94 128.36 2kvb s TRP 718 Ca 0.06 -1.19 -0.16 0.00 1.22 0.00 0.00 56.10 56.03 2kvb s TRP 718 Cb -0.16 -1.96 0.14 0.00 -1.50 0.00 0.00 33.47 29.99 2kvb s TRP 718 CO 0.06 -0.59 0.54 0.71 -4.62 0.00 0.00 176.95 173.04 2kvb s TYR 719 N 1.14 3.33 0.00 5.86 2.02 -1.23 0.36 117.35 128.83 2kvb s TYR 719 Ca 0.01 -1.41 0.05 0.00 -0.37 0.00 0.00 57.07 55.35 2kvb s TYR 719 Cb -0.14 -3.79 -0.02 0.00 -0.40 0.00 0.00 41.96 37.61 2kvb s TYR 719 CO -0.05 -1.01 -0.17 -0.08 -1.57 0.00 0.00 175.55 172.67 2kvb s THR 720 N 1.38 1.33 0.49 -0.71 -1.32 -1.09 -4.00 115.64 111.71 2kvb s THR 720 Ca 0.05 -0.82 0.23 0.00 -1.21 0.00 0.00 61.69 59.95 2kvb s THR 720 Cb -0.27 -1.13 0.28 0.00 -1.51 0.00 0.00 72.50 69.87 2kvb s THR 720 CO 0.01 0.29 2.11 0.28 -2.21 0.00 0.00 174.62 175.11 2kvb h SER 721 N 5.49 0.00 0.86 8.08 0.02 -1.72 -2.39 113.55 123.89 2kvb h SER 721 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2kvb h SER 721 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2kvb h SER 721 CO 0.47 0.09 0.00 -1.22 -1.14 0.00 0.00 176.83 175.03 2kvb n TYR 722 N -4.00 0.26 -0.18 3.45 4.02 -1.26 -2.00 117.16 117.45 2kvb n TYR 722 Ca -0.02 0.09 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 2kvb n TYR 722 Cb 0.18 -0.64 0.30 0.00 -0.02 0.00 0.00 39.34 39.16 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 -1.58 2.39 -3.54 -0.72 0.00 -0.92 -4.50 120.51 111.63 2kvb n ALA 723 Ca 0.05 -1.21 -0.29 0.00 0.00 0.00 0.00 53.44 51.99 2kvb n ALA 723 Cb 0.28 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.63 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50