#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqn s ILE 684 N 0.00 4.81 0.50 1.47 -1.09 -1.26 -4.98 121.20 120.65 1sqn s ILE 684 Ca 0.00 2.00 -0.22 0.00 -2.23 0.00 0.00 60.65 60.19 1sqn s ILE 684 Cb 0.00 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.51 1sqn s ILE 684 CO 0.00 0.04 1.07 -2.65 -1.23 0.00 0.00 174.94 172.17 1sqn n PRO 685 N 4.79 1.33 -0.23 2.79 -0.02 -1.26 -4.77 135.00 137.64 1sqn n PRO 685 Ca 0.08 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1sqn n PRO 685 Cb 0.49 -2.20 0.12 0.00 -0.02 0.00 0.00 33.50 31.90 1sqn n PRO 685 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sqn h PRO 686 N 1.26 1.06 -0.35 0.52 0.11 -1.99 -2.13 132.00 130.49 1sqn h PRO 686 Ca -0.47 -0.19 -0.04 0.00 0.11 0.00 0.00 66.00 65.41 1sqn h PRO 686 Cb 1.34 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1sqn h PRO 686 CO 0.55 0.87 0.05 1.25 -0.21 0.00 0.00 178.00 180.51 1sqn h LEU 687 N 1.04 0.48 -0.38 2.35 5.85 -1.99 0.31 115.31 122.97 1sqn h LEU 687 Ca 0.24 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1sqn h LEU 687 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1sqn h LEU 687 CO -0.02 0.52 -0.53 0.40 -0.34 0.00 0.00 178.44 178.47 1sqn h ILE 688 N 0.51 1.29 -0.68 4.05 2.04 -1.77 0.64 117.51 123.59 1sqn h ILE 688 Ca 0.12 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 1sqn h ILE 688 Cb 0.26 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1sqn h ILE 688 CO 0.00 0.56 0.31 0.78 0.00 0.00 0.00 178.15 179.80 1sqn h ASN 689 N 0.60 0.88 -0.37 1.72 -0.26 -0.80 -0.18 115.58 117.17 1sqn h ASN 689 Ca 0.02 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 1sqn h ASN 689 Cb 1.12 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 1sqn h ASN 689 CO 0.11 0.76 0.05 0.25 -1.06 0.00 0.00 177.43 177.55 1sqn h LEU 690 N 0.96 0.60 -0.71 1.61 6.46 -0.49 -1.47 115.31 122.28 1sqn h LEU 690 Ca 0.23 -0.27 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1sqn h LEU 690 Cb 0.13 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 1sqn h LEU 690 CO -0.03 0.72 0.45 -0.07 -0.62 0.00 0.00 178.44 178.89 1sqn h LEU 691 N 0.46 0.73 -1.02 2.25 3.38 -0.30 -1.52 115.31 119.29 1sqn h LEU 691 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1sqn h LEU 691 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1sqn h LEU 691 CO 0.01 0.50 0.28 -0.03 0.09 0.00 0.00 178.44 179.29 1sqn h MET 692 N 0.87 0.98 0.00 1.13 4.05 -0.62 -2.77 114.93 118.58 1sqn h MET 692 Ca 0.29 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1sqn h MET 692 Cb 0.03 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1sqn h MET 692 CO -0.11 0.79 -0.19 0.66 0.23 0.00 0.00 176.91 178.29 1sqn h SER 693 N 0.97 0.00 -0.42 1.39 4.64 -0.29 -2.83 113.55 117.00 1sqn h SER 693 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1sqn h SER 693 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1sqn h SER 693 CO -0.02 0.19 0.00 2.30 -0.87 0.00 0.00 176.83 178.43 1sqn n ILE 694 N -3.45 0.58 -1.81 0.95 -5.35 -0.83 -4.96 119.36 104.49 1sqn n ILE 694 Ca -0.00 -0.79 -0.41 0.00 -0.27 0.00 0.00 62.75 61.28 1sqn n ILE 694 Cb 0.37 0.91 0.01 0.00 -1.74 0.00 0.00 39.64 39.19 1sqn n ILE 694 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1sqn s GLU 695 N -1.38 3.95 0.87 6.28 0.41 -1.07 -4.82 118.70 122.94 1sqn s GLU 695 Ca 0.39 2.51 -0.11 0.00 -0.41 0.00 0.00 54.97 57.35 1sqn s GLU 695 Cb 0.22 -2.85 0.12 0.00 -1.78 0.00 0.00 34.13 29.84 1sqn s GLU 695 CO 0.31 -0.64 1.10 -1.25 -0.49 0.00 0.00 175.26 174.29 1sqn s PRO 696 N -2.23 1.42 0.87 0.39 0.04 -1.26 -5.02 135.00 129.21 1sqn s PRO 696 Ca 0.56 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1sqn s PRO 696 Cb -0.45 -1.80 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1sqn s PRO 696 CO 0.60 -2.24 1.20 -0.51 0.04 0.00 0.00 177.00 176.09 1sqn s ASP 697 N -3.10 3.58 0.25 6.66 1.01 -1.26 -4.98 116.67 118.83 1sqn s ASP 697 Ca 0.64 0.03 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 1sqn s ASP 697 Cb -0.20 -0.19 -0.14 0.00 1.01 0.00 0.00 42.92 43.40 1sqn s ASP 697 CO 0.57 -2.41 1.23 0.55 0.21 0.00 0.00 175.17 175.33 1sqn n VAL 698 N -3.42 1.33 -4.99 -1.27 3.14 -1.26 -5.00 118.33 106.87 1sqn n VAL 698 Ca 0.15 -0.33 -0.28 0.00 -2.96 0.00 0.00 64.34 60.91 1sqn n VAL 698 Cb 0.60 -1.20 -0.16 0.00 -1.06 0.00 0.00 33.84 32.01 1sqn n VAL 698 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1sqn s ILE 699 N -0.48 1.67 0.16 1.55 1.01 -1.26 -5.12 121.20 118.73 1sqn s ILE 699 Ca 0.65 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1sqn s ILE 699 Cb -0.70 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1sqn s ILE 699 CO 0.55 0.47 0.43 -0.31 0.00 0.00 0.00 174.94 176.08 1sqn s TYR 700 N 0.14 3.48 -0.19 3.97 2.02 -1.26 -4.50 117.35 121.02 1sqn s TYR 700 Ca -0.08 0.70 0.18 0.00 -0.37 0.00 0.00 57.07 57.50 1sqn s TYR 700 Cb -0.14 -2.12 0.26 0.00 -0.40 0.00 0.00 41.96 39.57 1sqn s TYR 700 CO 0.04 0.40 1.54 0.00 -1.57 0.00 0.00 175.55 175.97 1sqn h ALA 701 N 2.93 0.81 -1.26 3.71 0.00 -1.92 -3.45 119.26 120.08 1sqn h ALA 701 Ca -0.47 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 53.92 1sqn h ALA 701 Cb 1.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1sqn h ALA 701 CO 0.70 0.41 -0.26 0.41 0.00 0.00 0.00 179.25 180.52 1sqn n GLY 702 N 1.04 0.27 3.77 0.00 0.00 -1.26 -4.41 105.19 104.59 1sqn n GLY 702 Ca 0.02 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1sqn n GLY 702 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sqn s HIS 703 N -2.50 3.72 -0.64 1.61 5.04 -1.26 -4.98 115.29 116.28 1sqn s HIS 703 Ca 0.00 1.80 -0.21 0.00 -1.54 0.00 0.00 55.06 55.11 1sqn s HIS 703 Cb 0.00 -2.96 0.08 0.00 0.04 0.00 0.00 32.58 29.74 1sqn s HIS 703 CO 0.00 0.19 0.89 0.34 -2.34 0.00 0.00 174.74 173.82 1sqn s ASP 704 N -1.50 6.18 0.00 9.88 3.68 -1.26 -4.87 116.67 128.79 1sqn s ASP 704 Ca 0.49 -1.14 0.10 0.00 2.13 0.00 0.00 52.55 54.12 1sqn s ASP 704 Cb -0.21 -2.38 0.42 0.00 -1.45 0.00 0.00 42.92 39.30 1sqn s ASP 704 CO 0.26 -1.34 1.30 0.59 0.13 0.00 0.00 175.17 176.11 1sqn n ASN 705 N 7.28 0.88 0.09 -0.34 4.13 -1.26 -3.41 115.26 122.63 1sqn n ASN 705 Ca -0.05 -1.85 -0.04 0.00 1.68 0.00 0.00 54.58 54.31 1sqn n ASN 705 Cb 0.45 -0.09 0.13 0.00 -1.54 0.00 0.00 39.78 38.72 1sqn n ASN 705 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1sqn h THR 706 N 1.03 1.39 -2.82 3.41 1.35 -2.02 -3.45 112.91 111.79 1sqn h THR 706 Ca 0.00 -1.98 -0.59 0.00 -0.55 0.00 0.00 66.41 63.29 1sqn h THR 706 Cb 0.23 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.60 1sqn h THR 706 CO 0.00 0.58 -0.55 -1.59 -0.25 0.00 0.00 175.52 173.71 1sqn s LYS 707 N -3.75 3.03 0.52 4.72 0.00 -1.22 -5.09 119.74 117.95 1sqn s LYS 707 Ca -0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 55.97 54.97 1sqn s LYS 707 Cb 0.12 -2.76 -0.05 0.00 0.00 0.00 0.00 37.83 35.14 1sqn s LYS 707 CO 0.79 0.52 1.34 -2.14 0.00 0.00 0.00 175.35 175.87 1sqn s PRO 708 N -2.89 3.28 0.39 1.78 0.02 -1.26 -4.94 135.00 131.38 1sqn s PRO 708 Ca 0.31 2.20 -0.27 0.00 0.02 0.00 0.00 61.00 63.26 1sqn s PRO 708 Cb -0.11 -2.32 -0.10 0.00 0.02 0.00 0.00 34.50 31.99 1sqn s PRO 708 CO 0.24 -1.07 1.36 -0.51 -0.33 0.00 0.00 177.00 176.70 1sqn s ASP 709 N -0.95 6.37 0.22 2.53 1.01 -1.26 -5.04 116.67 119.55 1sqn s ASP 709 Ca 0.69 2.80 0.09 0.00 0.71 0.00 0.00 52.55 56.84 1sqn s ASP 709 Cb -0.39 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 40.84 1sqn s ASP 709 CO 0.47 -0.82 -0.16 0.42 0.21 0.00 0.00 175.17 175.29 1sqn s THR 710 N -1.19 1.88 0.30 -1.27 -4.23 -1.26 -5.02 115.64 104.85 1sqn s THR 710 Ca 0.54 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1sqn s THR 710 Cb -0.41 -2.07 0.22 0.00 1.34 0.00 0.00 72.50 71.57 1sqn s THR 710 CO 0.54 -0.54 1.92 0.77 -0.54 0.00 0.00 174.62 176.78 1sqn h SER 711 N 2.56 0.85 -0.19 3.99 4.64 -1.93 -1.07 113.55 122.39 1sqn h SER 711 Ca -0.39 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1sqn h SER 711 Cb 1.23 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1sqn h SER 711 CO 0.61 0.69 -0.59 0.77 -0.87 0.00 0.00 176.83 177.44 1sqn h SER 712 N 0.95 0.89 -0.40 4.97 4.64 -1.87 -1.64 113.55 121.09 1sqn h SER 712 Ca 0.24 -0.50 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 1sqn h SER 712 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1sqn h SER 712 CO -0.04 1.28 -0.29 0.77 -0.87 0.00 0.00 176.83 177.68 1sqn h SER 713 N 0.60 0.96 -0.21 4.97 4.64 -1.77 -0.07 113.55 122.66 1sqn h SER 713 Ca 0.00 -0.44 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 1sqn h SER 713 Cb 1.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1sqn h SER 713 CO 0.12 1.19 0.04 0.25 -0.87 0.00 0.00 176.83 177.57 1sqn h LEU 714 N 0.73 0.33 -0.77 5.97 5.85 -1.22 -0.57 115.31 125.63 1sqn h LEU 714 Ca 0.08 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1sqn h LEU 714 Cb 0.88 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1sqn h LEU 714 CO 0.08 0.49 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.56 1sqn h LEU 715 N 0.15 0.88 -0.58 2.25 3.38 -1.24 -0.11 115.31 120.05 1sqn h LEU 715 Ca 0.07 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1sqn h LEU 715 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sqn h LEU 715 CO 0.00 0.96 -0.01 0.74 0.09 0.00 0.00 178.44 180.23 1sqn h THR 716 N 0.83 1.27 -0.16 0.22 2.02 -0.97 -0.23 112.91 115.88 1sqn h THR 716 Ca 0.15 -1.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.07 1sqn h THR 716 Cb 0.54 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1sqn h THR 716 CO 0.03 0.41 -0.38 0.28 0.37 0.00 0.00 175.52 176.23 1sqn h SER 717 N 0.92 0.36 -0.67 4.18 0.02 -0.84 -0.52 113.55 117.00 1sqn h SER 717 Ca 0.16 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1sqn h SER 717 Cb 0.56 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1sqn h SER 717 CO 0.03 0.72 0.22 -0.07 -1.14 0.00 0.00 176.83 176.59 1sqn h LEU 718 N 0.29 0.98 -0.56 5.07 3.38 -0.64 -0.43 115.31 123.39 1sqn h LEU 718 Ca 0.03 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1sqn h LEU 718 Cb 0.81 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1sqn h LEU 718 CO 0.06 0.91 -0.28 0.78 0.09 0.00 0.00 178.44 180.00 1sqn h ASN 719 N 1.01 0.88 -0.42 -0.43 2.35 -0.63 0.24 115.58 118.58 1sqn h ASN 719 Ca 0.22 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1sqn h ASN 719 Cb 0.28 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1sqn h ASN 719 CO -0.01 1.10 0.27 -0.61 -1.65 0.00 0.00 177.43 176.54 1sqn h GLN 720 N 0.72 0.55 -0.39 0.81 4.15 -0.73 -0.09 115.11 120.13 1sqn h GLN 720 Ca 0.08 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1sqn h GLN 720 Cb 0.83 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1sqn h GLN 720 CO 0.07 0.37 0.24 1.25 -1.93 0.00 0.00 178.83 178.84 1sqn h LEU 721 N 0.56 0.46 -0.73 -2.39 5.85 -0.93 -2.13 115.31 116.01 1sqn h LEU 721 Ca 0.15 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.00 1sqn h LEU 721 Cb -0.06 -0.12 -0.12 0.00 0.37 0.00 0.00 40.66 40.74 1sqn h LEU 721 CO -0.03 0.36 0.09 1.23 -0.34 0.00 0.00 178.44 179.75 1sqn h GLY 722 N 0.52 0.92 0.92 3.75 0.00 -0.19 0.18 103.07 109.17 1sqn h GLY 722 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1sqn h GLY 722 CO -0.03 -0.24 0.11 -2.09 0.00 0.00 0.00 176.54 174.29 1sqn h GLU 723 N 0.18 0.31 -0.77 4.80 4.57 -0.54 0.30 114.58 123.42 1sqn h GLU 723 Ca 0.41 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1sqn h GLU 723 Cb 0.71 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1sqn h GLU 723 CO -0.58 0.32 0.50 0.00 -1.18 0.00 0.00 179.01 178.08 1sqn h ARG 724 N 0.22 1.02 -0.21 1.92 3.08 -1.00 -1.45 114.38 117.97 1sqn h ARG 724 Ca 0.07 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1sqn h ARG 724 Cb 0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1sqn h ARG 724 CO -0.01 0.69 -0.28 1.96 -1.07 0.00 0.00 179.97 181.26 1sqn h GLN 725 N 1.05 0.41 -0.39 0.04 4.20 -0.27 -1.45 115.11 118.70 1sqn h GLN 725 Ca 0.28 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1sqn h GLN 725 Cb -0.11 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1sqn h GLN 725 CO -0.06 0.66 0.14 1.25 -0.67 0.00 0.00 178.83 180.15 1sqn h LEU 726 N 0.36 0.54 -1.18 1.46 5.85 -0.10 0.18 115.31 122.43 1sqn h LEU 726 Ca 0.05 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1sqn h LEU 726 Cb 0.68 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1sqn h LEU 726 CO 0.05 0.58 0.57 -0.07 -0.34 0.00 0.00 178.44 179.23 1sqn h LEU 727 N 0.48 0.88 -0.50 2.25 4.07 -1.06 -0.90 115.31 120.52 1sqn h LEU 727 Ca 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 1sqn h LEU 727 Cb 0.21 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1sqn h LEU 727 CO -0.01 0.57 -0.31 -1.28 -1.08 0.00 0.00 178.44 176.33 1sqn h SER 728 N 1.00 0.93 -0.61 -0.43 0.87 -0.40 -1.51 113.55 113.39 1sqn h SER 728 Ca 0.38 -0.39 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1sqn h SER 728 Cb 0.20 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1sqn h SER 728 CO -0.14 1.16 0.36 0.58 -0.53 0.00 0.00 176.83 178.27 1sqn h VAL 729 N 0.75 1.04 -0.46 2.23 2.07 -0.11 -0.11 116.25 121.65 1sqn h VAL 729 Ca 0.08 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1sqn h VAL 729 Cb 0.87 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1sqn h VAL 729 CO 0.08 0.13 0.28 0.58 0.02 0.00 0.00 177.57 178.65 1sqn h VAL 730 N 0.71 1.15 -0.42 2.57 2.07 -0.81 -0.07 116.25 121.45 1sqn h VAL 730 Ca 0.25 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1sqn h VAL 730 Cb 0.07 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1sqn h VAL 730 CO -0.12 0.15 0.07 0.50 0.02 0.00 0.00 177.57 178.18 1sqn h LYS 731 N 0.62 0.70 -0.85 1.57 1.63 -1.01 -2.43 116.57 116.80 1sqn h LYS 731 Ca 0.17 -0.19 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1sqn h LYS 731 Cb 0.00 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.48 1sqn h LYS 731 CO -0.03 0.74 0.50 2.35 -3.45 0.00 0.00 179.45 179.56 1sqn h TRP 732 N 0.55 0.92 0.00 1.91 7.01 -0.83 -2.01 115.95 123.51 1sqn h TRP 732 Ca 0.13 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.09 1sqn h TRP 732 Cb 0.38 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1sqn h TRP 732 CO 0.03 0.41 -0.30 0.66 -2.79 0.00 0.00 178.44 176.45 1sqn h SER 733 N 0.87 0.00 0.62 2.65 4.64 -0.57 0.54 113.55 122.30 1sqn h SER 733 Ca 0.39 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.68 1sqn h SER 733 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1sqn h SER 733 CO -0.22 0.30 -0.16 0.11 -0.87 0.00 0.00 176.83 175.99 1sqn h LYS 734 N 0.00 0.00 0.00 4.77 1.57 -0.90 -2.95 116.57 119.06 1sqn h LYS 734 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqn h LYS 734 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1sqn h LYS 734 CO 0.04 0.16 -1.05 0.43 -0.57 0.00 0.00 179.45 178.47 1sqn n SER 735 N -3.50 0.90 -4.64 0.86 7.64 0.02 -4.82 113.62 110.08 1sqn n SER 735 Ca -0.01 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 1sqn n SER 735 Cb 0.32 1.08 -0.02 0.00 -1.01 0.00 0.00 64.21 64.58 1sqn n SER 735 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sqn s LEU 736 N -3.09 4.00 0.05 -3.43 2.96 -0.25 -4.93 118.68 113.99 1sqn s LEU 736 Ca 0.06 1.52 -0.35 0.00 -0.22 0.00 0.00 54.13 55.14 1sqn s LEU 736 Cb 0.15 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.16 1sqn s LEU 736 CO 0.84 -1.03 1.60 -2.65 -1.32 0.00 0.00 176.35 173.80 1sqn n PRO 737 N 7.20 1.85 0.00 0.98 -0.02 -1.26 -1.85 135.00 141.90 1sqn n PRO 737 Ca 0.16 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1sqn n PRO 737 Cb 0.45 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1sqn n PRO 737 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqn n GLY 738 N 3.49 2.97 0.24 -1.23 0.00 -1.26 -4.91 105.19 104.49 1sqn n GLY 738 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1sqn n GLY 738 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sqn h PHE 739 N 0.00 0.84 0.00 1.61 3.57 -1.64 -2.74 116.94 118.58 1sqn h PHE 739 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1sqn h PHE 739 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1sqn h PHE 739 CO 0.00 0.76 0.00 2.89 -2.23 0.00 0.00 178.31 179.73 1sqn n ARG 740 N -4.45 0.15 0.00 1.11 1.85 -1.26 -1.72 116.66 112.34 1sqn n ARG 740 Ca 0.01 0.58 0.13 0.00 -1.00 0.00 0.00 57.85 57.56 1sqn n ARG 740 Cb 0.23 -1.93 0.38 0.00 -1.05 0.00 0.00 32.46 30.09 1sqn n ARG 740 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1sqn n ASN 741 N -2.24 0.66 -4.81 2.89 5.03 -1.03 -4.85 115.26 110.91 1sqn n ASN 741 Ca -0.00 -0.49 -0.33 0.00 0.87 0.00 0.00 54.58 54.63 1sqn n ASN 741 Cb 0.09 0.11 -0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1sqn n ASN 741 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sqn s LEU 742 N -2.73 3.54 0.46 3.41 1.43 -0.70 -5.00 118.68 119.10 1sqn s LEU 742 Ca 0.19 1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.83 1sqn s LEU 742 Cb 0.19 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 1sqn s LEU 742 CO 0.59 -1.02 0.81 1.57 0.23 0.00 0.00 176.35 178.53 1sqn n HIS 743 N -1.88 0.41 -0.29 0.29 -0.00 -1.26 -4.75 115.22 107.74 1sqn n HIS 743 Ca 0.08 0.54 0.07 0.00 -0.00 0.00 0.00 57.72 58.42 1sqn n HIS 743 Cb 0.53 -2.11 0.30 0.00 -0.00 0.00 0.00 29.99 28.70 1sqn n HIS 743 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1sqn h ILE 744 N 1.02 0.96 -0.63 3.57 1.08 -1.94 -1.19 117.51 120.38 1sqn h ILE 744 Ca -0.44 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 63.68 1sqn h ILE 744 Cb 1.37 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1sqn h ILE 744 CO 0.53 0.16 0.22 0.44 -0.69 0.00 0.00 178.15 178.81 1sqn h ASP 745 N 0.89 0.86 -0.43 1.72 3.32 -2.00 -1.07 116.42 119.72 1sqn h ASP 745 Ca 0.42 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1sqn h ASP 745 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1sqn h ASP 745 CO -0.18 0.79 -0.06 0.44 -1.72 0.00 0.00 179.24 178.51 1sqn h ASP 746 N 0.91 0.80 -0.57 6.45 3.32 -1.60 -1.06 116.42 124.67 1sqn h ASP 746 Ca 0.21 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1sqn h ASP 746 Cb 0.22 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1sqn h ASP 746 CO -0.01 0.95 0.35 1.56 -1.72 0.00 0.00 179.24 180.37 1sqn h GLN 747 N 0.62 0.76 -0.55 3.56 4.20 -0.83 0.67 115.11 123.55 1sqn h GLN 747 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1sqn h GLN 747 Cb 0.58 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1sqn h GLN 747 CO 0.03 0.54 0.32 0.82 -0.67 0.00 0.00 178.83 179.87 1sqn h ILE 748 N 0.77 1.17 -0.40 2.54 2.04 -1.11 -1.60 117.51 120.91 1sqn h ILE 748 Ca 0.20 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1sqn h ILE 748 Cb -0.03 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1sqn h ILE 748 CO -0.04 0.18 0.20 0.74 0.00 0.00 0.00 178.15 179.23 1sqn h THR 749 N 0.74 1.16 -0.50 -0.27 2.02 -0.89 -0.54 112.91 114.63 1sqn h THR 749 Ca 0.19 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1sqn h THR 749 Cb 0.02 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1sqn h THR 749 CO -0.03 0.18 0.22 -0.07 0.37 0.00 0.00 175.52 176.18 1sqn h LEU 750 N 0.51 0.66 -0.41 2.58 3.38 -0.65 0.14 115.31 121.52 1sqn h LEU 750 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1sqn h LEU 750 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sqn h LEU 750 CO -0.02 0.63 0.21 0.40 0.09 0.00 0.00 178.44 179.74 1sqn h ILE 751 N 0.66 1.17 -0.20 1.22 2.04 -1.07 -1.16 117.51 120.16 1sqn h ILE 751 Ca 0.17 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1sqn h ILE 751 Cb 0.15 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1sqn h ILE 751 CO -0.02 0.18 0.01 1.56 0.00 0.00 0.00 178.15 179.88 1sqn h GLN 752 N 0.52 0.29 0.07 2.37 4.20 -0.52 -2.02 115.11 120.03 1sqn h GLN 752 Ca 0.14 -0.04 -0.25 0.00 0.06 0.00 0.00 58.65 58.56 1sqn h GLN 752 Cb 0.09 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1sqn h GLN 752 CO -0.02 0.31 -1.09 1.88 -0.67 0.00 0.00 178.83 179.24 1sqn h TYR 753 N 0.29 0.50 -0.01 2.96 0.05 -0.55 -3.40 116.97 116.80 1sqn h TYR 753 Ca 0.07 -0.32 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1sqn h TYR 753 Cb 0.18 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1sqn h TYR 753 CO 0.00 1.19 -0.30 -1.13 -1.05 0.00 0.00 178.16 176.87 1sqn n SER 754 N -3.62 1.79 -0.23 3.88 3.41 -0.45 -4.65 113.62 113.74 1sqn n SER 754 Ca -0.07 -1.39 0.03 0.00 -0.26 0.00 0.00 58.87 57.17 1sqn n SER 754 Cb 0.93 0.40 0.15 0.00 -0.26 0.00 0.00 64.21 65.43 1sqn n SER 754 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1sqn h TRP 755 N 2.10 0.45 -0.63 7.33 5.08 -1.59 -0.90 115.95 127.79 1sqn h TRP 755 Ca 0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.98 1sqn h TRP 755 Cb 0.60 -0.09 -0.03 0.00 -3.00 0.00 0.00 29.16 26.63 1sqn h TRP 755 CO 0.00 0.08 0.32 1.98 -1.28 0.00 0.00 178.44 179.53 1sqn h MET 756 N 0.42 0.90 -0.33 0.12 4.05 -1.88 0.27 114.93 118.48 1sqn h MET 756 Ca 0.36 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1sqn h MET 756 Cb 0.51 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1sqn h MET 756 CO -0.36 0.70 0.18 0.77 0.23 0.00 0.00 176.91 178.43 1sqn h SER 757 N 0.86 0.40 -0.83 1.39 0.02 -1.63 -0.19 113.55 113.57 1sqn h SER 757 Ca 0.22 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1sqn h SER 757 Cb 0.09 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1sqn h SER 757 CO -0.03 0.37 0.51 -0.07 -1.14 0.00 0.00 176.83 176.47 1sqn h LEU 758 N 0.41 0.99 -0.28 5.07 3.38 -0.90 -0.39 115.31 123.58 1sqn h LEU 758 Ca 0.11 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1sqn h LEU 758 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1sqn h LEU 758 CO -0.02 0.76 0.02 0.24 0.09 0.00 0.00 178.44 179.53 1sqn h MET 759 N 1.14 0.49 -0.02 1.13 2.86 -0.58 -1.39 114.93 118.55 1sqn h MET 759 Ca 0.30 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.64 1sqn h MET 759 Cb -0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1sqn h MET 759 CO -0.06 0.62 -0.68 -0.24 1.06 0.00 0.00 176.91 177.61 1sqn h VAL 760 N 0.29 1.45 -0.29 -2.22 3.04 -0.85 -0.46 116.25 117.21 1sqn h VAL 760 Ca 0.08 -2.25 -0.12 0.00 -1.01 0.00 0.00 66.70 63.40 1sqn h VAL 760 Cb 0.39 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 1sqn h VAL 760 CO 0.01 0.65 -0.30 0.15 -1.01 0.00 0.00 177.57 177.07 1sqn h PHE 761 N 0.07 0.70 -0.13 3.17 3.57 -1.04 -0.79 116.94 122.50 1sqn h PHE 761 Ca -0.01 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.14 1sqn h PHE 761 Cb 1.21 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1sqn h PHE 761 CO 0.01 0.84 -0.66 0.78 -2.23 0.00 0.00 178.31 177.05 1sqn h GLY 762 N 1.02 0.56 1.25 2.40 0.00 -1.00 -1.17 103.07 106.14 1sqn h GLY 762 Ca 0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1sqn h GLY 762 CO 0.06 0.66 0.33 -2.00 0.00 0.00 0.00 176.54 175.59 1sqn h LEU 763 N 0.37 0.87 -0.29 3.11 5.85 -0.88 0.22 115.31 124.56 1sqn h LEU 763 Ca -0.02 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1sqn h LEU 763 Cb 1.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1sqn h LEU 763 CO 0.12 0.74 0.10 1.23 -0.34 0.00 0.00 178.44 180.29 1sqn h GLY 764 N 1.03 0.47 0.76 3.75 0.00 -0.12 -1.21 103.07 107.76 1sqn h GLY 764 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1sqn h GLY 764 CO -0.03 0.25 0.00 -0.25 0.00 0.00 0.00 176.54 176.52 1sqn h TRP 765 N 0.31 0.02 -0.86 5.60 2.91 -0.71 0.77 115.95 123.99 1sqn h TRP 765 Ca 0.09 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1sqn h TRP 765 Cb 0.22 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.82 1sqn h TRP 765 CO 0.00 0.25 0.50 0.00 -1.03 0.00 0.00 178.44 178.16 1sqn h ARG 766 N -0.22 1.17 -0.50 2.65 3.08 -0.89 0.93 114.38 120.60 1sqn h ARG 766 Ca 0.00 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1sqn h ARG 766 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1sqn h ARG 766 CO 0.00 0.84 -0.18 0.77 -1.07 0.00 0.00 179.97 180.33 1sqn h SER 767 N 1.19 1.03 -0.69 7.04 0.02 -0.99 -0.28 113.55 120.86 1sqn h SER 767 Ca 0.31 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1sqn h SER 767 Cb -0.02 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 1sqn h SER 767 CO -0.05 1.17 0.44 0.22 -1.14 0.00 0.00 176.83 177.47 1sqn h TYR 768 N 0.87 0.82 0.00 3.45 3.20 -0.08 0.29 116.97 125.53 1sqn h TYR 768 Ca 0.12 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 1sqn h TYR 768 Cb 0.76 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 1sqn h TYR 768 CO 0.05 0.48 -1.17 0.87 -1.64 0.00 0.00 178.16 176.75 1sqn h LYS 769 N 0.86 0.00 0.00 1.82 1.79 -0.62 -3.08 116.57 117.35 1sqn h LYS 769 Ca 0.27 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.48 1sqn h LYS 769 Cb -0.01 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1sqn h LYS 769 CO -0.09 0.70 -2.12 0.72 -1.08 0.00 0.00 179.45 177.57 1sqn n HIS 770 N -3.19 0.00 -2.16 -1.35 8.25 -0.14 -4.66 115.22 111.98 1sqn n HIS 770 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1sqn n HIS 770 Cb 0.93 -0.78 0.09 0.00 1.12 0.00 0.00 29.99 31.35 1sqn n HIS 770 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1sqn n VAL 771 N -2.56 0.78 -2.73 1.59 0.24 -0.87 -4.99 118.33 109.80 1sqn n VAL 771 Ca -0.24 -1.75 -0.13 0.00 -2.04 0.00 0.00 64.34 60.18 1sqn n VAL 771 Cb 0.97 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 1sqn n VAL 771 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1sqn n SER 772 N -0.09 -3.06 0.00 -1.34 7.64 -1.12 -1.05 113.62 114.59 1sqn n SER 772 Ca 0.10 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1sqn n SER 772 Cb 0.97 -2.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 1sqn n SER 772 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqn n GLY 773 N -0.82 0.49 1.36 0.23 0.00 0.98 -4.89 105.19 102.55 1sqn n GLY 773 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1sqn n GLY 773 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqn n GLN 774 N -1.96 3.35 -3.97 1.61 1.13 -0.22 -4.59 117.38 112.73 1sqn n GLN 774 Ca 0.00 -2.73 -0.09 0.00 -1.94 0.00 0.00 57.00 52.24 1sqn n GLN 774 Cb 0.09 -1.73 -0.08 0.00 0.11 0.00 0.00 30.24 28.63 1sqn n GLN 774 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1sqn s MET 775 N -1.61 1.04 -0.40 -1.09 -1.94 -1.26 -4.56 119.30 109.48 1sqn s MET 775 Ca 0.46 -1.17 -0.21 0.00 -1.71 0.00 0.00 55.69 53.07 1sqn s MET 775 Cb 0.29 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.48 1sqn s MET 775 CO 0.24 -0.36 0.66 -0.51 -0.01 0.00 0.00 175.02 175.04 1sqn s LEU 776 N -2.96 4.35 -1.16 -0.03 1.43 0.21 -4.74 118.68 115.79 1sqn s LEU 776 Ca 0.15 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1sqn s LEU 776 Cb 0.04 -2.78 0.24 0.00 0.03 0.00 0.00 46.19 43.72 1sqn s LEU 776 CO -0.02 -0.71 1.34 0.00 0.23 0.00 0.00 176.35 177.19 1sqn n TYR 777 N 6.21 4.57 -0.18 0.29 4.19 -1.26 -0.99 117.16 129.99 1sqn n TYR 777 Ca -0.01 -3.46 -0.10 0.00 3.31 0.00 0.00 57.90 57.64 1sqn n TYR 777 Cb 0.48 -1.83 0.01 0.00 0.49 0.00 0.00 39.34 38.49 1sqn n TYR 777 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1sqn h PHE 778 N 6.55 1.11 -3.12 2.98 -1.00 -1.67 -3.41 116.94 118.39 1sqn h PHE 778 Ca 0.25 -0.23 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1sqn h PHE 778 Cb 0.81 -0.27 -0.07 0.00 3.61 0.00 0.00 35.95 40.03 1sqn h PHE 778 CO 0.94 1.04 0.16 0.00 -1.61 0.00 0.00 178.31 178.84 1sqn s ALA 779 N -4.84 -1.13 0.48 2.45 0.00 -0.85 -4.97 121.76 112.90 1sqn s ALA 779 Ca -0.12 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 51.87 1sqn s ALA 779 Cb 0.12 0.88 1.52 0.00 0.00 0.00 0.00 23.12 25.64 1sqn s ALA 779 CO 0.86 -0.94 2.12 -1.35 0.00 0.00 0.00 175.76 176.45 1sqn h PRO 780 N 2.06 0.00 -0.44 0.00 0.11 -1.90 -0.90 132.00 130.93 1sqn h PRO 780 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1sqn h PRO 780 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sqn h PRO 780 CO 0.29 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 177.76 1sqn n ASP 781 N -3.80 3.74 -3.25 -2.05 5.75 -1.26 -4.70 116.55 110.97 1sqn n ASP 781 Ca -0.02 -2.37 -0.22 0.00 -0.01 0.00 0.00 54.79 52.17 1sqn n ASP 781 Cb 0.19 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 39.78 1sqn n ASP 781 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1sqn s LEU 782 N -1.68 0.68 -0.12 -2.12 2.96 -0.34 -4.56 118.68 113.50 1sqn s LEU 782 Ca 0.37 -2.67 -0.00 0.00 -0.22 0.00 0.00 54.13 51.60 1sqn s LEU 782 Cb 0.24 0.13 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 1sqn s LEU 782 CO 0.18 -0.15 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.32 1sqn s ILE 783 N 0.34 3.30 -0.26 6.68 1.01 -1.24 -1.70 121.20 129.33 1sqn s ILE 783 Ca 0.31 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 1sqn s ILE 783 Cb 0.01 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.13 1sqn s ILE 783 CO -0.15 0.53 -0.07 -0.76 0.00 0.00 0.00 174.94 174.49 1sqn s LEU 784 N 0.14 3.38 0.00 2.97 1.43 -0.16 -4.96 118.68 121.47 1sqn s LEU 784 Ca -0.05 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 51.75 1sqn s LEU 784 Cb -0.15 -1.63 0.24 0.00 0.03 0.00 0.00 46.19 44.69 1sqn s LEU 784 CO 0.04 -0.17 1.29 -0.46 0.23 0.00 0.00 176.35 177.28 1sqn n ASN 785 N 4.58 -0.30 0.08 2.29 0.23 -1.26 -0.62 115.26 120.27 1sqn n ASN 785 Ca -0.15 -1.43 -0.01 0.00 -0.53 0.00 0.00 54.58 52.47 1sqn n ASN 785 Cb 0.45 -1.02 0.28 0.00 -2.08 0.00 0.00 39.78 37.41 1sqn n ASN 785 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1sqn h GLU 786 N 0.00 0.31 -0.78 -3.83 4.81 -1.99 -0.77 114.58 112.33 1sqn h GLU 786 Ca -0.43 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1sqn h GLU 786 Cb 1.20 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1sqn h GLU 786 CO 0.30 0.55 0.33 0.37 -0.73 0.00 0.00 179.01 179.83 1sqn h GLN 787 N 0.27 1.15 -0.34 1.92 5.75 -1.98 0.25 115.11 122.13 1sqn h GLN 787 Ca 0.04 -0.20 -0.13 0.00 -0.15 0.00 0.00 58.65 58.22 1sqn h GLN 787 Cb 0.61 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1sqn h GLN 787 CO 0.04 0.92 -0.31 -0.09 -2.65 0.00 0.00 178.83 176.74 1sqn h ARG 788 N 1.12 0.74 -0.58 1.69 2.43 -1.67 -1.93 114.38 116.17 1sqn h ARG 788 Ca 0.26 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1sqn h ARG 788 Cb 0.18 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1sqn h ARG 788 CO -0.03 0.95 0.30 0.52 -1.51 0.00 0.00 179.97 180.20 1sqn h MET 789 N 0.62 0.83 -0.37 0.20 2.86 -0.70 -2.45 114.93 115.93 1sqn h MET 789 Ca 0.07 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1sqn h MET 789 Cb 0.84 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1sqn h MET 789 CO 0.07 0.66 0.10 0.87 1.06 0.00 0.00 176.91 179.67 1sqn h LYS 790 N 0.79 0.53 -0.17 1.72 6.56 -0.58 -2.48 116.57 122.94 1sqn h LYS 790 Ca 0.20 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1sqn h LYS 790 Cb 0.09 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1sqn h LYS 790 CO -0.03 0.49 0.00 0.39 -2.06 0.00 0.00 179.45 178.24 1sqn n GLU 791 N -4.35 1.64 0.11 3.15 1.02 -0.76 -4.57 120.64 116.89 1sqn n GLU 791 Ca 0.02 -0.98 -0.02 0.00 -0.02 0.00 0.00 57.16 56.16 1sqn n GLU 791 Cb 0.18 -1.35 0.06 0.00 -0.02 0.00 0.00 31.44 30.31 1sqn n GLU 791 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sqn h SER 792 N 1.89 0.00 0.00 1.62 4.64 -0.96 -3.48 113.55 117.26 1sqn h SER 792 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sqn h SER 792 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sqn h SER 792 CO 0.00 0.73 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 1sqn n SER 793 N -3.53 0.00 -2.68 4.97 3.41 -1.26 -4.42 113.62 110.10 1sqn n SER 793 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1sqn n SER 793 Cb 0.74 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 1sqn n SER 793 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1sqn n PHE 794 N -2.00 0.69 -0.21 7.33 -1.74 -1.26 -4.94 117.46 115.34 1sqn n PHE 794 Ca 0.00 -2.73 -0.01 0.00 -0.56 0.00 0.00 57.45 54.15 1sqn n PHE 794 Cb 0.00 -0.15 0.10 0.00 1.52 0.00 0.00 39.48 40.95 1sqn n PHE 794 CO 0.00 0.00 0.00 -0.92 -0.56 0.00 0.00 176.76 175.28 1sqn h TYR 795 N 2.89 0.50 -0.67 2.97 3.20 -1.87 -0.78 116.97 123.21 1sqn h TYR 795 Ca -0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 1sqn h TYR 795 Cb 1.18 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1sqn h TYR 795 CO 0.46 0.18 0.32 1.03 -1.64 0.00 0.00 178.16 178.50 1sqn h SER 796 N 0.50 0.86 -0.34 -2.11 0.87 -1.92 0.16 113.55 111.58 1sqn h SER 796 Ca 0.30 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 1sqn h SER 796 Cb 0.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1sqn h SER 796 CO -0.26 0.73 -0.30 0.25 -0.53 0.00 0.00 176.83 176.72 1sqn h LEU 797 N 0.95 0.90 -0.41 2.23 5.85 -1.84 -0.98 115.31 122.01 1sqn h LEU 797 Ca 0.23 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1sqn h LEU 797 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1sqn h LEU 797 CO -0.03 1.13 0.27 0.00 -0.34 0.00 0.00 178.44 179.47 1sqn h LEU 799 N 0.56 0.78 -0.86 0.00 3.38 -0.34 0.20 115.31 119.03 1sqn h LEU 799 Ca 0.15 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1sqn h LEU 799 Cb -0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1sqn h LEU 799 CO -0.04 0.49 0.57 0.74 0.09 0.00 0.00 178.44 180.30 1sqn h THR 800 N 0.91 1.22 -0.07 0.22 2.02 -0.53 -2.31 112.91 114.36 1sqn h THR 800 Ca 0.36 -0.40 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 1sqn h THR 800 Cb 0.19 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1sqn h THR 800 CO -0.18 0.21 -0.73 0.24 0.37 0.00 0.00 175.52 175.43 1sqn h MET 801 N 1.16 0.37 0.00 6.66 2.86 -0.41 -2.92 114.93 122.65 1sqn h MET 801 Ca 0.32 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sqn h MET 801 Cb -0.13 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1sqn h MET 801 CO -0.07 0.95 0.00 2.35 1.06 0.00 0.00 176.91 181.20 1sqn h TRP 802 N 0.25 0.00 -0.57 -0.22 7.01 -0.09 -2.14 115.95 120.19 1sqn h TRP 802 Ca -0.03 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.04 1sqn h TRP 802 Cb 1.31 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.33 1sqn h TRP 802 CO 0.04 0.00 0.38 1.96 -2.79 0.00 0.00 178.44 178.03 1sqn h GLN 803 N 0.00 0.47 0.17 2.65 4.20 -1.25 -2.89 115.11 118.46 1sqn h GLN 803 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1sqn h GLN 803 Cb 0.26 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1sqn h GLN 803 CO 0.00 0.31 -0.08 0.82 -0.67 0.00 0.00 178.83 179.21 1sqn h ILE 804 N 0.48 0.96 -0.23 2.54 2.04 -1.59 -1.10 117.51 120.62 1sqn h ILE 804 Ca 0.25 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1sqn h ILE 804 Cb 0.36 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1sqn h ILE 804 CO -0.07 0.17 0.13 1.55 0.00 0.00 0.00 178.15 179.93 1sqn h PRO 805 N -0.59 0.31 -0.26 2.37 0.13 -1.74 -0.70 132.00 131.51 1sqn h PRO 805 Ca -0.02 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 1sqn h PRO 805 Cb 0.44 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1sqn h PRO 805 CO 0.04 0.22 -0.18 1.96 -0.23 0.00 0.00 178.00 179.81 1sqn h GLN 806 N 0.32 0.47 -0.14 0.86 1.08 -1.27 -0.56 115.11 115.86 1sqn h GLN 806 Ca 0.08 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1sqn h GLN 806 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1sqn h GLN 806 CO -0.01 0.63 -0.40 0.93 -0.95 0.00 0.00 178.83 179.03 1sqn h GLU 807 N 0.42 0.31 -0.62 1.46 4.39 0.14 -1.19 114.58 119.51 1sqn h GLU 807 Ca 0.07 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1sqn h GLU 807 Cb 0.56 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1sqn h GLU 807 CO 0.04 0.66 0.01 0.74 -1.16 0.00 0.00 179.01 179.30 1sqn h PHE 808 N 0.26 1.16 -0.18 4.33 0.05 -0.63 -1.12 116.94 120.81 1sqn h PHE 808 Ca 0.03 -0.19 -0.01 0.00 3.82 0.00 0.00 57.97 61.61 1sqn h PHE 808 Cb 0.82 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.45 1sqn h PHE 808 CO 0.02 1.02 0.06 0.28 -0.18 0.00 0.00 178.31 179.51 1sqn h VAL 809 N 0.98 1.17 -0.77 -0.55 2.07 -0.91 0.14 116.25 118.38 1sqn h VAL 809 Ca 0.18 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1sqn h VAL 809 Cb 0.54 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1sqn h VAL 809 CO 0.03 0.17 0.46 0.50 0.02 0.00 0.00 177.57 178.75 1sqn h LYS 810 N 0.13 1.06 -0.00 1.57 3.64 -0.98 -2.68 116.57 119.29 1sqn h LYS 810 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1sqn h LYS 810 Cb 0.20 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1sqn h LYS 810 CO -0.00 0.75 -0.32 1.28 -2.27 0.00 0.00 179.45 178.89 1sqn n LEU 811 N -4.48 0.37 -3.74 5.20 4.77 -0.45 -4.96 117.00 113.71 1sqn n LEU 811 Ca 0.07 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 1sqn n LEU 811 Cb 0.06 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1sqn n LEU 811 CO 0.37 0.09 -0.10 0.00 -1.33 0.00 0.00 177.39 176.42 1sqn n GLN 812 N -1.44 -1.78 -1.74 3.23 -0.00 0.48 -4.87 117.38 111.27 1sqn n GLN 812 Ca 0.07 0.45 -0.42 0.00 -0.00 0.00 0.00 57.00 57.09 1sqn n GLN 812 Cb 0.33 -4.21 -0.02 0.00 -0.00 0.00 0.00 30.24 26.34 1sqn n GLN 812 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sqn n VAL 813 N -4.25 0.75 -2.54 -0.39 0.31 -1.08 -4.99 118.33 106.13 1sqn n VAL 813 Ca -0.14 -0.19 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 1sqn n VAL 813 Cb 0.61 -1.97 0.02 0.00 -0.91 0.00 0.00 33.84 31.59 1sqn n VAL 813 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sqn s SER 814 N 0.68 5.87 0.28 4.52 1.04 -1.26 -4.93 113.70 119.90 1sqn s SER 814 Ca 0.67 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.84 1sqn s SER 814 Cb -0.50 -1.89 0.46 0.00 0.10 0.00 0.00 66.02 64.19 1sqn s SER 814 CO 0.44 -0.85 1.90 -0.61 0.98 0.00 0.00 173.24 175.11 1sqn h GLN 815 N 0.03 1.08 -0.51 4.02 5.75 -1.99 0.67 115.11 124.16 1sqn h GLN 815 Ca -0.46 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 57.87 1sqn h GLN 815 Cb 1.24 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1sqn h GLN 815 CO 0.61 0.72 -0.08 0.93 -2.65 0.00 0.00 178.83 178.35 1sqn h GLU 816 N 1.11 0.96 -0.37 1.69 3.07 -1.94 -0.39 114.58 118.71 1sqn h GLU 816 Ca 0.41 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 1sqn h GLU 816 Cb 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1sqn h GLU 816 CO -0.15 1.01 -0.18 0.93 -1.40 0.00 0.00 179.01 179.22 1sqn h GLU 817 N 0.82 0.76 -0.68 2.33 5.08 -1.72 -2.79 114.58 118.39 1sqn h GLU 817 Ca 0.14 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1sqn h GLU 817 Cb 0.63 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1sqn h GLU 817 CO 0.04 0.95 0.36 0.35 -1.00 0.00 0.00 179.01 179.71 1sqn h PHE 818 N 0.56 0.95 -0.73 4.33 3.57 -0.68 0.23 116.94 125.16 1sqn h PHE 818 Ca 0.08 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1sqn h PHE 818 Cb 0.72 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1sqn h PHE 818 CO 0.06 0.68 0.27 -0.07 -2.23 0.00 0.00 178.31 177.01 1sqn h LEU 819 N 0.94 1.02 -0.32 0.59 3.38 -1.01 0.06 115.31 119.98 1sqn h LEU 819 Ca 0.24 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1sqn h LEU 819 Cb 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1sqn h LEU 819 CO -0.04 0.94 -0.73 0.00 0.09 0.00 0.00 178.44 178.70 1sqn h MET 821 N 0.40 1.31 -0.74 0.00 2.86 -0.61 -2.13 114.93 116.02 1sqn h MET 821 Ca -0.04 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1sqn h MET 821 Cb 1.33 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 1sqn h MET 821 CO 0.14 0.89 0.26 -0.22 1.06 0.00 0.00 176.91 179.04 1sqn h LYS 822 N 1.33 1.11 -0.72 1.72 3.64 -0.88 -1.14 116.57 121.64 1sqn h LYS 822 Ca 0.35 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1sqn h LYS 822 Cb -0.09 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 1sqn h LYS 822 CO -0.07 0.93 0.32 0.28 -2.27 0.00 0.00 179.45 178.63 1sqn h VAL 823 N 1.08 1.24 0.00 2.00 2.07 -1.23 -2.18 116.25 119.23 1sqn h VAL 823 Ca 0.24 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1sqn h VAL 823 Cb 0.25 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1sqn h VAL 823 CO -0.01 0.29 -0.14 -0.07 0.02 0.00 0.00 177.57 177.66 1sqn h LEU 824 N 1.02 0.00 -0.39 2.57 3.38 -0.78 -1.38 115.31 119.73 1sqn h LEU 824 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1sqn h LEU 824 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1sqn h LEU 824 CO -0.03 0.14 0.09 -0.07 0.09 0.00 0.00 178.44 178.66 1sqn h LEU 825 N 0.00 0.60 -2.00 1.67 3.38 -0.62 -1.69 115.31 116.65 1sqn h LEU 825 Ca -0.00 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 57.86 1sqn h LEU 825 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1sqn h LEU 825 CO 0.02 0.69 0.33 0.25 0.09 0.00 0.00 178.44 179.81 1sqn h LEU 826 N 0.49 0.00 -3.63 1.67 5.85 -0.80 -2.67 115.31 116.21 1sqn h LEU 826 Ca 0.12 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.55 1sqn h LEU 826 Cb 0.33 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.19 1sqn h LEU 826 CO 0.00 0.00 0.24 0.18 -0.34 0.00 0.00 178.44 178.52 1sqn n LEU 827 N -4.40 5.32 -0.92 2.25 4.77 -0.82 -4.66 117.00 118.54 1sqn n LEU 827 Ca 0.08 -3.57 0.12 0.00 -0.03 0.00 0.00 56.01 52.61 1sqn n LEU 827 Cb 0.54 -0.72 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1sqn n LEU 827 CO 0.36 1.07 0.62 -3.20 -1.33 0.00 0.00 177.39 174.91 1sqn n ASN 828 N -0.93 2.90 -3.75 -1.43 5.15 -0.70 -4.89 115.26 111.62 1sqn n ASN 828 Ca 0.43 -1.96 -0.12 0.00 -0.60 0.00 0.00 54.58 52.32 1sqn n ASN 828 Cb 1.30 0.02 -0.12 0.00 -0.53 0.00 0.00 39.78 40.45 1sqn n ASN 828 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sqn s THR 829 N -2.02 -0.02 0.27 -0.44 2.01 -1.26 -0.48 115.64 113.70 1sqn s THR 829 Ca 0.28 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1sqn s THR 829 Cb 0.20 -0.40 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 1sqn s THR 829 CO 0.31 0.03 0.02 0.27 -0.69 0.00 0.00 174.62 174.56 1sqn s ILE 830 N 0.67 1.13 0.77 1.82 -4.36 -0.31 -4.89 121.20 116.03 1sqn s ILE 830 Ca -0.04 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 1sqn s ILE 830 Cb -0.06 -2.53 0.06 0.00 1.25 0.00 0.00 42.46 41.18 1sqn s ILE 830 CO -0.04 -0.19 1.09 -2.84 0.24 0.00 0.00 174.94 173.20 1sqn s PRO 831 N -3.87 2.26 0.34 0.37 0.02 -1.26 -0.25 135.00 132.61 1sqn s PRO 831 Ca 0.32 1.15 0.04 0.00 0.02 0.00 0.00 61.00 62.53 1sqn s PRO 831 Cb 0.07 -1.90 0.67 0.00 0.02 0.00 0.00 34.50 33.36 1sqn s PRO 831 CO 0.12 -1.63 1.94 -0.07 -0.33 0.00 0.00 177.00 177.03 1sqn h LEU 832 N -1.12 0.75 -0.69 -5.54 3.38 -1.87 0.86 115.31 111.08 1sqn h LEU 832 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1sqn h LEU 832 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1sqn h LEU 832 CO 0.52 0.48 0.00 -1.84 0.09 0.00 0.00 178.44 177.69 1sqn n GLU 833 N -4.48 1.46 0.00 1.13 0.00 -1.26 -4.99 120.64 112.50 1sqn n GLU 833 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 57.16 56.59 1sqn n GLU 833 Cb 0.22 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1sqn n GLU 833 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sqn n GLY 834 N 1.02 -1.25 3.95 -1.84 0.00 0.30 -4.97 105.19 102.40 1sqn n GLY 834 Ca 0.16 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1sqn n GLY 834 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqn s LEU 835 N -2.91 3.86 0.17 0.99 1.43 -1.26 -4.43 118.68 116.53 1sqn s LEU 835 Ca 0.00 0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1sqn s LEU 835 Cb 0.00 -3.22 0.05 0.00 0.03 0.00 0.00 46.19 43.05 1sqn s LEU 835 CO 0.00 -0.47 1.58 0.03 0.23 0.00 0.00 176.35 177.72 1sqn h ARG 836 N 0.62 0.97 -1.98 1.70 3.08 -1.97 -3.16 114.38 113.64 1sqn h ARG 836 Ca -0.48 -0.40 -0.74 0.00 0.07 0.00 0.00 59.98 58.43 1sqn h ARG 836 Cb 1.23 -0.04 -0.30 0.00 0.08 0.00 0.00 29.97 30.94 1sqn h ARG 836 CO 0.59 1.07 0.70 0.43 -1.07 0.00 0.00 179.97 181.68 1sqn n SER 837 N -4.12 6.91 -0.28 7.04 7.64 -1.26 -4.82 113.62 124.74 1sqn n SER 837 Ca 0.00 -3.79 -0.04 0.00 1.01 0.00 0.00 58.87 56.06 1sqn n SER 837 Cb 0.44 -0.97 0.07 0.00 -1.01 0.00 0.00 64.21 62.75 1sqn n SER 837 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1sqn h GLN 838 N 3.15 0.99 0.12 1.43 5.75 -1.96 -0.36 115.11 124.23 1sqn h GLN 838 Ca 0.50 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.94 1sqn h GLN 838 Cb 0.24 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1sqn h GLN 838 CO 1.27 0.66 -0.06 1.15 -2.65 0.00 0.00 178.83 179.20 1sqn h THR 839 N 1.02 0.90 -0.56 2.39 2.02 -1.91 -0.23 112.91 116.54 1sqn h THR 839 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1sqn h THR 839 Cb -0.10 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1sqn h THR 839 CO -0.07 0.02 0.25 1.56 0.37 0.00 0.00 175.52 177.65 1sqn h GLN 840 N -0.19 0.80 -0.33 6.66 4.20 -1.88 -1.65 115.11 122.71 1sqn h GLN 840 Ca -0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1sqn h GLN 840 Cb 0.15 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1sqn h GLN 840 CO 0.03 0.63 0.19 0.35 -0.67 0.00 0.00 178.83 179.36 1sqn h PHE 841 N 0.80 0.45 -0.83 2.96 3.04 -0.84 -0.33 116.94 122.19 1sqn h PHE 841 Ca 0.20 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 1sqn h PHE 841 Cb 0.11 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 1sqn h PHE 841 CO 0.01 0.34 0.38 1.49 -2.02 0.00 0.00 178.31 178.51 1sqn h GLU 842 N 0.42 1.21 -0.82 1.11 4.57 -0.67 0.19 114.58 120.58 1sqn h GLU 842 Ca 0.12 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1sqn h GLU 842 Cb 0.03 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1sqn h GLU 842 CO -0.02 0.95 0.39 0.93 -1.18 0.00 0.00 179.01 180.08 1sqn h GLU 843 N 1.19 1.18 -0.02 1.92 5.08 -0.98 0.55 114.58 123.49 1sqn h GLU 843 Ca 0.28 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1sqn h GLU 843 Cb 0.15 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sqn h GLU 843 CO -0.03 0.91 -0.04 1.98 -1.00 0.00 0.00 179.01 180.82 1sqn h MET 844 N 1.17 0.07 -0.82 2.33 4.05 -0.42 -1.62 114.93 119.69 1sqn h MET 844 Ca 0.28 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.70 1sqn h MET 844 Cb 0.12 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 1sqn h MET 844 CO -0.04 0.61 0.52 -0.09 0.23 0.00 0.00 176.91 178.14 1sqn h ARG 845 N -0.47 0.96 -0.38 0.39 2.43 -0.53 -1.51 114.38 115.28 1sqn h ARG 845 Ca 0.00 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1sqn h ARG 845 Cb 0.60 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1sqn h ARG 845 CO 0.01 0.64 -0.07 0.77 -1.51 0.00 0.00 179.97 179.80 1sqn h SER 846 N 0.99 0.61 -0.48 -3.80 0.02 -0.77 -1.16 113.55 108.97 1sqn h SER 846 Ca 0.34 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1sqn h SER 846 Cb 0.07 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1sqn h SER 846 CO -0.14 0.73 0.22 0.28 -1.14 0.00 0.00 176.83 176.79 1sqn h SER 847 N 0.59 0.63 0.60 3.07 0.02 -0.56 -0.46 113.55 117.44 1sqn h SER 847 Ca 0.11 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1sqn h SER 847 Cb 0.48 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1sqn h SER 847 CO 0.03 0.59 -0.44 1.88 -1.14 0.00 0.00 176.83 177.74 1sqn h TYR 848 N 0.63 0.00 -0.35 3.45 0.05 -0.83 -0.07 116.97 119.84 1sqn h TYR 848 Ca 0.16 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 1sqn h TYR 848 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1sqn h TYR 848 CO -0.01 0.44 -0.16 0.82 -1.05 0.00 0.00 178.16 178.20 1sqn h ILE 849 N 0.00 1.29 -0.28 -2.88 2.04 -0.70 -0.45 117.51 116.53 1sqn h ILE 849 Ca -0.00 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1sqn h ILE 849 Cb 0.86 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1sqn h ILE 849 CO 0.06 0.42 0.12 0.03 0.00 0.00 0.00 178.15 178.77 1sqn h ARG 850 N 0.51 0.39 -0.18 2.37 3.08 -0.77 -1.62 114.38 118.16 1sqn h ARG 850 Ca 0.08 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 1sqn h ARG 850 Cb 0.70 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1sqn h ARG 850 CO 0.05 0.32 -0.51 1.49 -1.07 0.00 0.00 179.97 180.25 1sqn h GLU 851 N 0.39 0.49 -0.71 0.04 4.57 -0.58 -2.21 114.58 116.57 1sqn h GLU 851 Ca 0.10 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1sqn h GLU 851 Cb 0.07 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1sqn h GLU 851 CO -0.01 0.88 0.43 1.25 -1.18 0.00 0.00 179.01 180.39 1sqn h LEU 852 N 0.39 0.85 -1.11 1.64 5.85 -0.44 0.13 115.31 122.61 1sqn h LEU 852 Ca 0.02 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1sqn h LEU 852 Cb 1.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1sqn h LEU 852 CO 0.09 0.65 0.42 0.40 -0.34 0.00 0.00 178.44 179.66 1sqn h ILE 853 N 0.97 1.22 -0.56 4.05 2.04 -0.91 -0.37 117.51 123.94 1sqn h ILE 853 Ca 0.26 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 1sqn h ILE 853 Cb -0.05 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1sqn h ILE 853 CO -0.05 0.24 -0.03 0.11 0.00 0.00 0.00 178.15 178.43 1sqn h LYS 854 N 1.05 1.00 -0.62 2.37 1.57 -0.74 -1.29 116.57 119.91 1sqn h LYS 854 Ca 0.27 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1sqn h LYS 854 Cb 0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1sqn h LYS 854 CO -0.04 1.01 0.35 0.00 -0.57 0.00 0.00 179.45 180.20 1sqn h ALA 855 N 0.95 0.79 -0.68 3.86 0.00 -0.16 -1.66 119.26 122.37 1sqn h ALA 855 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1sqn h ALA 855 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sqn h ALA 855 CO 0.03 0.30 0.26 0.82 0.00 0.00 0.00 179.25 180.67 1sqn h ILE 856 N 0.84 1.24 0.00 0.00 2.04 -0.87 -2.56 117.51 118.19 1sqn h ILE 856 Ca 0.22 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1sqn h ILE 856 Cb 0.02 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1sqn h ILE 856 CO -0.04 0.30 -0.01 1.23 0.00 0.00 0.00 178.15 179.64 1sqn h GLY 857 N 1.06 0.00 2.00 5.37 0.00 -0.28 0.17 103.07 111.39 1sqn h GLY 857 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1sqn h GLY 857 CO -0.02 0.00 -0.17 1.41 0.00 0.00 0.00 176.54 177.76 1sqn h LEU 858 N 0.00 0.00 0.00 3.11 3.38 -1.14 -3.33 115.31 117.33 1sqn h LEU 858 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sqn h LEU 858 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1sqn h LEU 858 CO 0.00 0.17 -0.81 0.54 0.09 0.00 0.00 178.44 178.44 1sqn n ARG 859 N -3.98 2.59 -2.19 1.13 1.74 -0.93 -5.16 116.66 109.86 1sqn n ARG 859 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 1sqn n ARG 859 Cb 0.26 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1sqn n ARG 859 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1sqn s GLN 860 N -1.81 3.60 0.00 5.56 1.11 0.00 -5.12 119.66 123.01 1sqn s GLN 860 Ca 0.00 0.56 0.00 0.00 0.01 0.00 0.00 55.36 55.93 1sqn s GLN 860 Cb 0.00 -2.19 0.00 0.00 -1.01 0.00 0.00 33.01 29.81 1sqn s GLN 860 CO 0.00 -0.41 0.00 0.41 0.01 0.00 0.00 175.29 175.30 1sqn n GLY 862 N -2.48 0.00 0.16 3.09 0.00 -1.26 -4.58 105.19 100.12 1sqn n GLY 862 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1sqn n GLY 862 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sqn h VAL 863 N 0.72 1.22 -0.13 1.61 -1.51 -2.04 -0.45 116.25 115.66 1sqn h VAL 863 Ca 0.00 -0.75 -0.16 0.00 -1.23 0.00 0.00 66.70 64.55 1sqn h VAL 863 Cb 0.00 1.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1sqn h VAL 863 CO 0.00 0.25 -0.56 -0.37 -1.23 0.00 0.00 177.57 175.66 1sqn h VAL 864 N 0.30 1.34 -0.66 7.19 -1.51 -1.98 -1.29 116.25 119.64 1sqn h VAL 864 Ca 0.09 -1.84 0.02 0.00 -1.23 0.00 0.00 66.70 63.74 1sqn h VAL 864 Cb 0.31 2.10 -0.04 0.00 -2.13 0.00 0.00 31.29 31.53 1sqn h VAL 864 CO 0.00 0.56 0.42 -1.28 -1.23 0.00 0.00 177.57 176.05 1sqn h SER 865 N 0.25 0.70 -0.56 4.19 0.87 -1.96 0.28 113.55 117.32 1sqn h SER 865 Ca -0.03 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 1sqn h SER 865 Cb 1.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1sqn h SER 865 CO 0.12 0.50 -0.01 0.77 -0.53 0.00 0.00 176.83 177.67 1sqn h SER 866 N 0.84 1.00 -0.31 6.23 4.64 -1.01 0.57 113.55 125.51 1sqn h SER 866 Ca 0.26 -0.29 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1sqn h SER 866 Cb -0.02 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1sqn h SER 866 CO -0.09 1.06 0.06 -1.28 -0.87 0.00 0.00 176.83 175.72 1sqn h SER 867 N 0.94 0.48 -0.40 4.97 0.87 -0.85 -1.27 113.55 118.29 1sqn h SER 867 Ca 0.17 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1sqn h SER 867 Cb 0.56 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1sqn h SER 867 CO 0.03 0.61 0.09 1.56 -0.53 0.00 0.00 176.83 178.58 1sqn h GLN 868 N 0.34 0.73 -0.45 2.24 7.50 -0.29 -2.40 115.11 122.78 1sqn h GLN 868 Ca 0.10 -0.15 -0.13 0.00 0.50 0.00 0.00 58.65 58.96 1sqn h GLN 868 Cb 0.32 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 1sqn h GLN 868 CO 0.00 0.69 -0.23 -0.09 -1.50 0.00 0.00 178.83 177.70 1sqn h ARG 869 N 0.71 0.93 -0.59 1.46 2.43 -0.68 -0.74 114.38 117.89 1sqn h ARG 869 Ca 0.15 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1sqn h ARG 869 Cb 0.31 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1sqn h ARG 869 CO 0.00 1.05 0.30 0.35 -1.51 0.00 0.00 179.97 180.17 1sqn h PHE 870 N 0.80 0.55 -0.27 2.20 3.57 -1.05 -1.14 116.94 121.60 1sqn h PHE 870 Ca 0.10 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1sqn h PHE 870 Cb 0.79 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1sqn h PHE 870 CO 0.05 0.25 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.44 1sqn h TYR 871 N 0.56 -0.05 -0.56 0.41 3.20 -0.88 -1.99 116.97 117.66 1sqn h TYR 871 Ca 0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1sqn h TYR 871 Cb 0.19 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1sqn h TYR 871 CO -0.10 -0.06 0.30 1.96 -1.64 0.00 0.00 178.16 178.62 1sqn h GLN 872 N 0.06 0.79 0.03 1.82 4.20 -0.61 0.23 115.11 121.64 1sqn h GLN 872 Ca 0.13 -0.10 -0.26 0.00 0.06 0.00 0.00 58.65 58.49 1sqn h GLN 872 Cb 0.18 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1sqn h GLN 872 CO -0.23 0.62 -1.06 -0.07 -0.67 0.00 0.00 178.83 177.42 1sqn h LEU 873 N 0.76 0.70 -0.50 1.46 3.38 -1.19 -0.20 115.31 119.71 1sqn h LEU 873 Ca 0.20 -0.59 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 1sqn h LEU 873 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1sqn h LEU 873 CO -0.03 1.40 -0.54 0.71 0.09 0.00 0.00 178.44 180.07 1sqn h THR 874 N 0.27 1.31 -0.67 0.22 1.35 -1.25 -2.18 112.91 111.97 1sqn h THR 874 Ca -0.12 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 63.92 1sqn h THR 874 Cb 1.71 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.84 1sqn h THR 874 CO 0.19 0.56 0.24 0.50 -0.25 0.00 0.00 175.52 176.76 1sqn h LYS 875 N 0.46 1.02 -0.51 4.72 1.63 -0.42 -0.69 116.57 122.77 1sqn h LYS 875 Ca 0.01 -0.20 0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1sqn h LYS 875 Cb 1.09 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.50 1sqn h LYS 875 CO 0.10 0.87 0.16 1.25 -3.45 0.00 0.00 179.45 178.38 1sqn h LEU 876 N 0.96 0.13 -0.39 5.20 6.46 -0.76 0.17 115.31 127.09 1sqn h LEU 876 Ca 0.22 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1sqn h LEU 876 Cb 0.25 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1sqn h LEU 876 CO -0.01 0.10 0.24 -0.07 -0.62 0.00 0.00 178.44 178.08 1sqn h LEU 877 N 0.32 0.46 -0.71 2.25 3.38 -1.03 -1.91 115.31 118.07 1sqn h LEU 877 Ca 0.25 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1sqn h LEU 877 Cb 0.29 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1sqn h LEU 877 CO -0.28 0.36 0.40 0.44 0.09 0.00 0.00 178.44 179.45 1sqn h ASP 878 N 0.52 0.58 0.66 -0.43 3.45 -0.50 -2.09 116.42 118.61 1sqn h ASP 878 Ca 0.14 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 1sqn h ASP 878 Cb -0.02 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1sqn h ASP 878 CO -0.03 0.36 -0.05 0.78 -1.57 0.00 0.00 179.24 178.74 1sqn h ASN 879 N 0.71 0.00 0.10 6.45 2.35 -0.09 -2.77 115.58 122.33 1sqn h ASN 879 Ca 0.32 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.98 1sqn h ASN 879 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1sqn h ASN 879 CO -0.20 0.05 -0.30 -0.07 -1.65 0.00 0.00 177.43 175.25 1sqn h LEU 880 N 0.00 0.32 -0.82 1.61 3.38 -0.63 -2.98 115.31 116.18 1sqn h LEU 880 Ca -0.00 -0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.06 1sqn h LEU 880 Cb 0.39 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.93 1sqn h LEU 880 CO 0.01 0.61 0.22 0.45 0.09 0.00 0.00 178.44 179.82 1sqn h HIS 881 N 0.28 0.33 -0.12 1.13 3.86 -1.54 0.72 115.15 119.82 1sqn h HIS 881 Ca 0.04 0.05 -0.18 0.00 -1.16 0.00 0.00 60.37 59.11 1sqn h HIS 881 Cb 0.68 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 1sqn h HIS 881 CO 0.01 -0.14 -0.68 -0.44 0.86 0.00 0.00 177.93 177.54 1sqn h ASP 882 N 0.26 0.57 -0.32 2.45 5.19 -1.71 -2.31 116.42 120.55 1sqn h ASP 882 Ca 0.49 -0.36 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1sqn h ASP 882 Cb 0.91 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1sqn h ASP 882 CO -0.58 1.09 0.02 0.25 -3.12 0.00 0.00 179.24 176.90 1sqn h LEU 883 N 0.35 0.53 -1.74 1.55 6.46 -1.34 -2.89 115.31 118.22 1sqn h LEU 883 Ca -0.02 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1sqn h LEU 883 Cb 1.25 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1sqn h LEU 883 CO 0.12 0.68 -0.16 0.58 -0.62 0.00 0.00 178.44 179.05 1sqn h VAL 884 N 0.35 0.97 -0.91 1.05 2.07 -0.87 -2.01 116.25 116.90 1sqn h VAL 884 Ca 0.09 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1sqn h VAL 884 Cb 0.40 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1sqn h VAL 884 CO 0.01 0.16 0.53 0.50 0.02 0.00 0.00 177.57 178.79 1sqn h LYS 885 N 0.00 1.25 -0.79 1.57 3.64 -1.20 0.28 116.57 121.32 1sqn h LYS 885 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1sqn h LYS 885 Cb 0.31 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1sqn h LYS 885 CO 0.02 0.89 0.47 1.96 -2.27 0.00 0.00 179.45 180.52 1sqn h GLN 886 N 1.26 1.07 -0.48 1.90 4.20 -1.33 -1.56 115.11 120.18 1sqn h GLN 886 Ca 0.32 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.81 1sqn h GLN 886 Cb -0.02 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 1sqn h GLN 886 CO -0.06 0.76 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.57 1sqn h LEU 887 N 1.08 1.00 -0.28 1.46 3.38 -1.12 -2.32 115.31 118.51 1sqn h LEU 887 Ca 0.28 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sqn h LEU 887 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1sqn h LEU 887 CO -0.05 1.17 0.18 0.45 0.09 0.00 0.00 178.44 180.28 1sqn h HIS 888 N 0.84 0.34 -0.43 1.13 3.86 -0.11 -0.06 115.15 120.73 1sqn h HIS 888 Ca 0.11 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1sqn h HIS 888 Cb 0.79 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1sqn h HIS 888 CO 0.05 0.21 0.13 1.25 0.86 0.00 0.00 177.93 180.43 1sqn h LEU 889 N 0.37 0.63 -0.38 2.43 5.85 -1.23 -0.59 115.31 122.39 1sqn h LEU 889 Ca 0.10 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1sqn h LEU 889 Cb -0.04 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1sqn h LEU 889 CO -0.03 0.67 0.24 0.22 -0.34 0.00 0.00 178.44 179.20 1sqn h TYR 890 N 0.55 0.45 -0.22 1.25 5.03 -1.25 -0.93 116.97 121.85 1sqn h TYR 890 Ca 0.14 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1sqn h TYR 890 Cb 0.27 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 1sqn h TYR 890 CO 0.01 0.27 0.14 0.00 -1.32 0.00 0.00 178.16 177.26 1sqn h LEU 892 N 0.28 0.99 -0.45 0.00 5.85 -0.87 0.11 115.31 121.22 1sqn h LEU 892 Ca 0.08 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1sqn h LEU 892 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1sqn h LEU 892 CO -0.02 0.88 0.16 0.78 -0.34 0.00 0.00 178.44 179.91 1sqn h ASN 893 N 1.04 0.63 -0.74 1.25 2.35 -1.04 -0.38 115.58 118.70 1sqn h ASN 893 Ca 0.25 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1sqn h ASN 893 Cb 0.18 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1sqn h ASN 893 CO -0.02 0.65 0.45 0.74 -1.65 0.00 0.00 177.43 177.60 1sqn h THR 894 N 0.58 1.06 0.08 2.81 2.02 -0.83 -0.36 112.91 118.28 1sqn h THR 894 Ca 0.15 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1sqn h THR 894 Cb 0.22 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1sqn h THR 894 CO -0.01 0.16 -0.04 0.15 0.37 0.00 0.00 175.52 176.15 1sqn h PHE 895 N 0.86 -0.11 -0.90 3.16 3.57 -0.32 0.39 116.94 123.59 1sqn h PHE 895 Ca 0.31 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.84 1sqn h PHE 895 Cb 0.09 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1sqn h PHE 895 CO -0.05 0.04 0.59 0.82 -2.23 0.00 0.00 178.31 177.48 1sqn h ILE 896 N -0.23 1.16 -0.47 1.41 2.04 -0.88 -2.34 117.51 118.21 1sqn h ILE 896 Ca -0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1sqn h ILE 896 Cb 0.19 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1sqn h ILE 896 CO 0.02 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1sqn n GLN 897 N -4.44 2.20 -0.31 2.37 6.02 -0.16 -4.62 117.38 118.43 1sqn n GLN 897 Ca 0.12 -1.85 0.09 0.00 -0.01 0.00 0.00 57.00 55.35 1sqn n GLN 897 Cb 0.09 -1.42 0.25 0.00 1.02 0.00 0.00 30.24 30.18 1sqn n GLN 897 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sqn h SER 898 N 3.14 0.59 -0.38 1.08 4.64 -0.34 -1.42 113.55 120.86 1sqn h SER 898 Ca 0.00 0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1sqn h SER 898 Cb 0.71 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1sqn h SER 898 CO 0.00 0.23 0.02 0.03 -0.87 0.00 0.00 176.83 176.25 1sqn h ARG 899 N 0.66 0.66 -0.82 4.77 3.08 -1.82 -0.21 114.38 120.69 1sqn h ARG 899 Ca 0.50 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1sqn h ARG 899 Cb 0.73 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1sqn h ARG 899 CO -0.37 0.74 0.46 0.00 -1.07 0.00 0.00 179.97 179.73 1sqn h ALA 900 N 0.89 1.27 -0.00 0.04 0.00 -1.77 -2.59 119.26 117.10 1sqn h ALA 900 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sqn h ALA 900 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sqn h ALA 900 CO 0.02 0.60 -0.21 1.28 0.00 0.00 0.00 179.25 180.93 1sqn n LEU 901 N -4.35 0.33 -3.05 0.00 4.77 -0.59 -4.92 117.00 109.19 1sqn n LEU 901 Ca 0.09 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 1sqn n LEU 901 Cb 0.09 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1sqn n LEU 901 CO 0.38 0.07 0.20 -1.20 -1.33 0.00 0.00 177.39 175.51 1sqn n SER 902 N -1.33 -5.36 -4.44 -1.43 7.64 -0.31 -4.57 113.62 103.83 1sqn n SER 902 Ca 0.09 -0.45 -0.33 0.00 1.01 0.00 0.00 58.87 59.18 1sqn n SER 902 Cb 0.32 -4.24 -0.13 0.00 -1.01 0.00 0.00 64.21 59.15 1sqn n SER 902 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sqn s VAL 903 N -3.27 3.42 -0.11 0.44 1.01 -0.25 -4.76 120.40 116.89 1sqn s VAL 903 Ca 0.45 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1sqn s VAL 903 Cb -0.20 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1sqn s VAL 903 CO 0.60 0.52 0.10 -0.70 0.00 0.00 0.00 175.10 175.62 1sqn s GLU 904 N 0.26 3.32 -0.19 2.72 2.12 -1.26 -4.53 118.70 121.14 1sqn s GLU 904 Ca -0.06 -0.21 -0.00 0.00 0.36 0.00 0.00 54.97 55.06 1sqn s GLU 904 Cb -0.15 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.17 1sqn s GLU 904 CO 0.04 0.76 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.30 1sqn s PHE 905 N -1.00 2.81 1.27 5.30 0.40 -1.26 -4.68 117.98 120.83 1sqn s PHE 905 Ca 0.15 -1.44 -0.20 0.00 -0.60 0.00 0.00 56.93 54.84 1sqn s PHE 905 Cb -0.12 -1.95 0.31 0.00 0.51 0.00 0.00 43.02 41.77 1sqn s PHE 905 CO 0.04 -0.72 1.04 -2.14 0.70 0.00 0.00 175.22 174.13 1sqn s PRO 906 N 1.28 -1.75 0.04 0.24 0.02 -1.26 -4.64 135.00 128.93 1sqn s PRO 906 Ca 0.04 0.11 -0.31 0.00 0.02 0.00 0.00 61.00 60.85 1sqn s PRO 906 Cb -0.14 -1.52 -0.18 0.00 0.02 0.00 0.00 34.50 32.69 1sqn s PRO 906 CO -0.09 -4.09 1.43 1.49 -0.33 0.00 0.00 177.00 175.40 1sqn h GLU 907 N -2.86 -0.93 -0.27 5.54 4.81 -1.98 0.28 114.58 119.17 1sqn h GLU 907 Ca -0.46 0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.70 1sqn h GLU 907 Cb 1.32 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.90 1sqn h GLU 907 CO 0.35 -0.59 -0.37 0.52 -0.73 0.00 0.00 179.01 178.18 1sqn h MET 908 N -1.08 0.63 -0.25 1.92 2.86 -1.95 -1.26 114.93 115.80 1sqn h MET 908 Ca -0.10 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1sqn h MET 908 Cb 0.76 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1sqn h MET 908 CO 0.16 0.90 0.16 0.52 1.06 0.00 0.00 176.91 179.71 1sqn h MET 909 N 0.52 0.32 -0.87 1.72 2.86 -1.91 -0.43 114.93 117.14 1sqn h MET 909 Ca 0.05 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1sqn h MET 909 Cb 0.88 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.42 1sqn h MET 909 CO 0.08 0.21 0.57 0.77 1.06 0.00 0.00 176.91 179.60 1sqn h SER 910 N 0.33 0.94 -0.48 1.22 0.02 -0.61 -1.90 113.55 113.07 1sqn h SER 910 Ca 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1sqn h SER 910 Cb -0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1sqn h SER 910 CO -0.03 0.65 0.16 -0.33 -1.14 0.00 0.00 176.83 176.15 1sqn h GLU 911 N 1.09 0.73 -0.00 3.45 5.08 -0.46 -0.75 114.58 123.73 1sqn h GLU 911 Ca 0.35 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 1sqn h GLU 911 Cb 0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sqn h GLU 911 CO -0.10 0.68 -0.79 -0.39 -1.00 0.00 0.00 179.01 177.42 1sqn h VAL 912 N 0.64 1.56 0.03 3.13 -1.51 -0.93 -0.04 116.25 119.12 1sqn h VAL 912 Ca 0.16 -2.67 -0.00 0.00 -1.23 0.00 0.00 66.70 62.96 1sqn h VAL 912 Cb 0.25 2.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1sqn h VAL 912 CO -0.01 0.76 -0.02 0.40 -1.23 0.00 0.00 177.57 177.48 1sqn h ILE 913 N 0.01 1.25 -0.99 7.19 2.04 -1.19 -2.82 117.51 122.99 1sqn h ILE 913 Ca -0.01 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1sqn h ILE 913 Cb 1.39 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 1sqn h ILE 913 CO 0.10 0.23 0.66 0.00 0.00 0.00 0.00 178.15 179.14 1sqn h ALA 914 N 0.51 1.27 -0.61 1.87 0.00 -1.03 -0.64 119.26 120.63 1sqn h ALA 914 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1sqn h ALA 914 Cb 0.40 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1sqn h ALA 914 CO 0.01 0.62 0.19 0.00 0.00 0.00 0.00 179.25 180.06 1sqn h ALA 915 N 1.37 1.17 0.00 0.00 0.00 -0.92 -3.42 119.26 117.47 1sqn h ALA 915 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sqn h ALA 915 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1sqn h ALA 915 CO -0.09 0.57 -0.01 1.04 0.00 0.00 0.00 179.25 180.76 1sqn n GLN 916 N -4.28 4.48 -0.28 0.00 1.13 -1.07 -4.90 117.38 112.47 1sqn n GLN 916 Ca 0.05 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.05 1sqn n GLN 916 Cb 0.21 -0.39 0.06 0.00 0.11 0.00 0.00 30.24 30.24 1sqn n GLN 916 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1sqn h LEU 917 N 0.00 1.03 -0.81 1.08 3.38 -1.25 0.88 115.31 119.61 1sqn h LEU 917 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1sqn h LEU 917 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1sqn h LEU 917 CO 0.00 0.90 0.39 -0.65 0.09 0.00 0.00 178.44 179.17 1sqn h PRO 918 N 1.08 1.17 -0.60 1.13 0.11 -1.89 -0.00 132.00 133.00 1sqn h PRO 918 Ca 0.25 -0.18 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1sqn h PRO 918 Cb 0.18 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1sqn h PRO 918 CO -0.02 0.91 0.05 -0.22 -0.21 0.00 0.00 178.00 178.50 1sqn h LYS 919 N 1.15 1.02 -0.59 1.05 3.64 -1.74 -0.63 116.57 120.48 1sqn h LYS 919 Ca 0.28 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1sqn h LYS 919 Cb 0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1sqn h LYS 919 CO -0.03 0.99 0.19 0.82 -2.27 0.00 0.00 179.45 179.15 1sqn h ILE 920 N 0.92 1.24 -0.08 2.00 2.04 -0.47 -1.70 117.51 121.47 1sqn h ILE 920 Ca 0.18 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1sqn h ILE 920 Cb 0.49 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1sqn h ILE 920 CO 0.02 0.30 -0.33 -0.07 0.00 0.00 0.00 178.15 178.07 1sqn h LEU 921 N 0.83 0.15 0.00 1.44 3.38 -0.74 -0.60 115.31 119.76 1sqn h LEU 921 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sqn h LEU 921 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1sqn h LEU 921 CO -0.01 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1sqn n ALA 922 N -2.48 1.81 -1.64 1.53 0.00 -0.27 -4.86 120.51 114.61 1sqn n ALA 922 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1sqn n ALA 922 Cb 0.40 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1sqn n ALA 922 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqn n GLY 923 N 0.15 0.61 2.44 0.00 0.00 -0.23 -4.91 105.19 103.24 1sqn n GLY 923 Ca 0.06 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1sqn n GLY 923 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqn n MET 924 N -2.36 2.41 -4.06 1.61 2.81 -0.65 -4.81 117.12 112.07 1sqn n MET 924 Ca -0.09 -2.64 -0.11 0.00 -1.81 0.00 0.00 57.70 53.05 1sqn n MET 924 Cb 0.41 -2.09 -0.06 0.00 -0.71 0.00 0.00 33.22 30.77 1sqn n MET 924 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1sqn s VAL 925 N -3.43 0.00 -0.36 2.03 -7.23 -1.26 -4.54 120.40 105.61 1sqn s VAL 925 Ca 0.52 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1sqn s VAL 925 Cb 0.39 -2.36 0.10 0.00 0.56 0.00 0.00 36.38 35.06 1sqn s VAL 925 CO -0.18 0.00 0.11 -0.75 -0.31 0.00 0.00 175.10 173.96 1sqn s LYS 926 N -3.84 1.85 0.25 4.82 2.20 0.65 -4.80 119.74 120.87 1sqn s LYS 926 Ca 0.28 -1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 53.83 1sqn s LYS 926 Cb 0.01 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1sqn s LYS 926 CO 0.12 -0.95 1.26 -2.14 -0.36 0.00 0.00 175.35 173.28 1sqn s PRO 927 N 1.06 4.43 -0.19 4.03 0.02 -1.26 -1.17 135.00 141.92 1sqn s PRO 927 Ca 0.07 2.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.96 1sqn s PRO 927 Cb -0.21 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1sqn s PRO 927 CO -0.05 -0.14 0.46 -0.51 -0.33 0.00 0.00 177.00 176.43 1sqn s LEU 928 N -0.88 4.17 0.07 -5.54 1.43 0.37 -4.95 118.68 113.34 1sqn s LEU 928 Ca 0.52 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1sqn s LEU 928 Cb -0.36 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1sqn s LEU 928 CO 0.43 -0.11 -0.10 -0.76 0.23 0.00 0.00 176.35 176.04 1sqn s LEU 929 N 1.33 3.03 0.29 1.79 1.43 -1.26 -4.90 118.68 120.38 1sqn s LEU 929 Ca 0.22 -0.32 0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1sqn s LEU 929 Cb -0.15 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.40 1sqn s LEU 929 CO 0.09 0.22 1.26 -0.26 0.23 0.00 0.00 176.35 177.89 1sqn h PHE 930 N 4.00 0.00 -4.05 0.29 -1.00 -1.97 -3.48 116.94 110.74 1sqn h PHE 930 Ca -0.48 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.17 1sqn h PHE 930 Cb 1.16 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.59 1sqn h PHE 930 CO 0.58 0.06 -0.44 -1.01 -1.61 0.00 0.00 178.31 175.89 1sqn s HIS 931 N -3.26 0.49 0.36 -0.55 3.76 -1.26 -5.06 115.29 109.77 1sqn s HIS 931 Ca 0.02 -0.88 -0.27 0.00 -0.15 0.00 0.00 55.06 53.78 1sqn s HIS 931 Cb 0.08 -0.20 -0.10 0.00 1.11 0.00 0.00 32.58 33.47 1sqn s HIS 931 CO 0.74 -0.61 1.30 -1.59 -0.85 0.00 0.00 174.74 173.73 1sqn s LYS 932 N -3.97 4.19 0.00 1.40 0.00 -1.26 -5.11 119.74 114.99 1sqn s LYS 932 Ca 0.16 2.18 0.07 0.00 0.00 0.00 0.00 55.97 58.38 1sqn s LYS 932 Cb 0.05 -2.93 0.43 0.00 0.00 0.00 0.00 37.83 35.38 1sqn s LYS 932 CO -0.02 -0.32 0.89 1.63 0.00 0.00 0.00 175.35 177.53