#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nw4 h ILE 672 N 0.00 0.31 -1.02 0.52 2.04 -2.07 -2.54 117.51 114.75 2nw4 h ILE 672 Ca 0.00 -0.32 0.26 0.00 1.00 0.00 0.00 64.86 65.79 2nw4 h ILE 672 Cb 0.00 0.40 -0.12 0.00 -0.74 0.00 0.00 36.82 36.37 2nw4 h ILE 672 CO 0.00 0.04 0.62 0.15 0.00 0.00 0.00 178.15 178.95 2nw4 h PHE 673 N -1.01 0.92 -0.01 1.37 3.57 -2.04 -0.02 116.94 119.72 2nw4 h PHE 673 Ca -0.08 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.27 2nw4 h PHE 673 Cb 0.65 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2nw4 h PHE 673 CO 0.00 0.05 -0.82 -0.07 -2.23 0.00 0.00 178.31 175.25 2nw4 h LEU 674 N 0.52 0.24 -0.03 0.59 3.38 -1.99 -2.82 115.31 115.19 2nw4 h LEU 674 Ca 0.64 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.46 2nw4 h LEU 674 Cb 1.33 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2nw4 h LEU 674 CO -0.44 0.95 -0.45 0.78 0.09 0.00 0.00 178.44 179.38 2nw4 h ASN 675 N 0.11 -1.37 0.09 -0.43 2.35 -0.55 -1.89 115.58 113.89 2nw4 h ASN 675 Ca -0.03 0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2nw4 h ASN 675 Cb 1.42 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 40.31 2nw4 h ASN 675 CO 0.12 -0.47 -0.11 1.62 -1.65 0.00 0.00 177.43 176.94 2nw4 h VAL 676 N -0.58 0.74 -0.59 2.81 3.04 -1.58 0.21 116.25 120.29 2nw4 h VAL 676 Ca 0.05 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.86 2nw4 h VAL 676 Cb 0.67 0.74 -0.10 0.00 -2.01 0.00 0.00 31.29 30.58 2nw4 h VAL 676 CO -0.34 0.00 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.10 2nw4 h LEU 677 N -0.24 -0.35 -0.56 3.16 3.38 -1.24 0.35 115.31 119.81 2nw4 h LEU 677 Ca 0.01 0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 2nw4 h LEU 677 Cb 0.24 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2nw4 h LEU 677 CO -0.05 -0.14 -0.66 1.05 0.09 0.00 0.00 178.44 178.73 2nw4 h GLU 678 N 0.07 0.26 0.00 1.13 4.11 -1.20 -2.13 114.58 116.82 2nw4 h GLU 678 Ca 0.30 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 2nw4 h GLU 678 Cb 0.48 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2nw4 h GLU 678 CO -0.54 0.83 -0.01 0.00 0.07 0.00 0.00 179.01 179.36 2nw4 h ALA 679 N 1.12 1.02 0.00 1.06 0.00 0.15 -3.02 119.26 119.59 2nw4 h ALA 679 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nw4 h ALA 679 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2nw4 h ALA 679 CO 0.10 0.02 -1.31 0.44 0.00 0.00 0.00 179.25 178.50 2nw4 n ILE 680 N -3.14 0.00 -1.67 0.00 -5.35 0.10 -4.98 119.36 104.33 2nw4 n ILE 680 Ca -0.01 -0.27 -0.57 0.00 -0.27 0.00 0.00 62.75 61.63 2nw4 n ILE 680 Cb 0.23 0.47 -0.07 0.00 -1.74 0.00 0.00 39.64 38.52 2nw4 n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2nw4 n GLU 681 N -1.77 1.09 -0.53 6.28 4.07 -0.82 -4.87 120.64 124.09 2nw4 n GLU 681 Ca -0.01 0.39 -0.10 0.00 -0.06 0.00 0.00 57.16 57.38 2nw4 n GLU 681 Cb 0.33 -2.12 0.10 0.00 -0.06 0.00 0.00 31.44 29.69 2nw4 n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2nw4 n PRO 682 N 5.78 -0.42 -0.90 5.31 -0.02 -1.26 -5.05 135.00 138.44 2nw4 n PRO 682 Ca 0.29 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2nw4 n PRO 682 Cb 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2nw4 n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nw4 n GLY 683 N -0.16 4.34 3.58 -1.23 0.00 -1.26 -5.04 105.19 105.43 2nw4 n GLY 683 Ca 0.05 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2nw4 n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nw4 s VAL 684 N 0.48 3.63 -0.20 1.61 1.01 -1.26 -4.97 120.40 120.69 2nw4 s VAL 684 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 2nw4 s VAL 684 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2nw4 s VAL 684 CO 0.00 -0.76 0.29 -0.69 0.00 0.00 0.00 175.10 173.94 2nw4 s VAL 685 N 6.76 5.28 0.13 2.92 1.01 -1.26 -5.07 120.40 130.18 2nw4 s VAL 685 Ca 0.67 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 2nw4 s VAL 685 Cb -0.16 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2nw4 s VAL 685 CO 0.29 0.32 0.36 0.00 0.00 0.00 0.00 175.10 176.07 2nw4 h ALA 687 N 2.85 0.81 -4.13 0.00 0.00 -1.92 -3.47 119.26 113.39 2nw4 h ALA 687 Ca -0.46 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 2nw4 h ALA 687 Cb 1.16 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.06 2nw4 h ALA 687 CO 0.73 0.17 -0.45 0.41 0.00 0.00 0.00 179.25 180.11 2nw4 n GLY 688 N 1.16 -0.02 3.89 0.00 0.00 -1.26 -4.59 105.19 104.36 2nw4 n GLY 688 Ca 0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2nw4 n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2nw4 s HIS 689 N -3.21 3.45 -1.12 1.61 5.04 -1.26 -5.03 115.29 114.77 2nw4 s HIS 689 Ca 0.02 0.75 -0.06 0.00 -1.54 0.00 0.00 55.06 54.22 2nw4 s HIS 689 Cb -0.01 -2.17 0.28 0.00 0.04 0.00 0.00 32.58 30.73 2nw4 s HIS 689 CO 0.43 0.27 1.42 -3.47 -2.34 0.00 0.00 174.74 171.05 2nw4 n ASP 690 N -0.34 6.01 -0.15 9.88 2.03 -1.26 -4.88 116.55 127.84 2nw4 n ASP 690 Ca -0.01 -3.26 0.28 0.00 0.52 0.00 0.00 54.79 52.32 2nw4 n ASP 690 Cb 0.53 -1.33 0.68 0.00 -0.72 0.00 0.00 41.12 40.27 2nw4 n ASP 690 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2nw4 h ASN 691 N 5.87 0.00 0.63 1.67 2.35 -1.94 -2.52 115.58 121.63 2nw4 h ASN 691 Ca 0.22 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2nw4 h ASN 691 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 2nw4 h ASN 691 CO 1.28 0.00 -0.35 0.78 -1.65 0.00 0.00 177.43 177.49 2nw4 h ASN 692 N 0.00 -0.85 -3.63 5.81 2.35 -2.01 -3.43 115.58 113.82 2nw4 h ASN 692 Ca 0.41 0.04 -0.55 0.00 -0.55 0.00 0.00 56.30 55.65 2nw4 h ASN 692 Cb 2.00 0.24 0.19 0.00 0.05 0.00 0.00 38.32 40.80 2nw4 h ASN 692 CO -0.00 -0.56 -0.12 1.67 -1.65 0.00 0.00 177.43 176.77 2nw4 n GLN 693 N -4.57 0.22 -0.25 0.81 -0.06 -0.95 -4.96 117.38 107.62 2nw4 n GLN 693 Ca -0.11 0.13 -0.08 0.00 -2.00 0.00 0.00 57.00 54.94 2nw4 n GLN 693 Cb 0.37 -2.08 0.08 0.00 -4.06 0.00 0.00 30.24 24.54 2nw4 n GLN 693 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2nw4 n PRO 694 N -1.81 -0.83 -3.46 3.69 -0.02 -1.26 -4.95 135.00 126.36 2nw4 n PRO 694 Ca 0.11 -0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 60.86 2nw4 n PRO 694 Cb 0.50 -0.76 -0.06 0.00 -0.02 0.00 0.00 33.50 33.17 2nw4 n PRO 694 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2nw4 n ASP 695 N -1.55 4.49 -4.89 2.55 8.00 -1.26 -4.98 116.55 118.91 2nw4 n ASP 695 Ca 0.04 -3.29 -0.29 0.00 0.71 0.00 0.00 54.79 51.96 2nw4 n ASP 695 Cb 0.16 -0.97 -0.01 0.00 -0.02 0.00 0.00 41.12 40.28 2nw4 n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2nw4 s SER 696 N -1.22 6.32 0.10 -2.24 1.04 -1.26 -4.96 113.70 111.48 2nw4 s SER 696 Ca 0.32 1.11 -0.28 0.00 0.48 0.00 0.00 55.95 57.57 2nw4 s SER 696 Cb 0.02 -2.32 -0.11 0.00 0.10 0.00 0.00 66.02 63.71 2nw4 s SER 696 CO -0.05 -0.61 1.64 0.15 0.98 0.00 0.00 173.24 175.35 2nw4 h PHE 697 N 0.34 -0.73 -0.51 5.02 3.57 -1.97 -2.02 116.94 120.63 2nw4 h PHE 697 Ca -0.46 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.12 2nw4 h PHE 697 Cb 1.20 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 40.17 2nw4 h PHE 697 CO 0.61 -0.39 0.17 0.00 -2.23 0.00 0.00 178.31 176.47 2nw4 h ALA 698 N 0.10 0.62 -0.75 2.41 0.00 -1.87 -1.59 119.26 118.19 2nw4 h ALA 698 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2nw4 h ALA 698 Cb 0.53 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2nw4 h ALA 698 CO -0.09 -0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.22 2nw4 h ALA 699 N 1.35 1.05 0.44 0.00 0.00 -1.83 0.49 119.26 120.75 2nw4 h ALA 699 Ca 0.25 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2nw4 h ALA 699 Cb 0.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nw4 h ALA 699 CO -0.26 -0.22 -0.21 -0.07 0.00 0.00 0.00 179.25 178.49 2nw4 h LEU 700 N 0.43 -0.50 -0.95 0.00 3.38 -0.58 -3.14 115.31 113.95 2nw4 h LEU 700 Ca 0.41 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.41 2nw4 h LEU 700 Cb 0.62 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2nw4 h LEU 700 CO -0.41 -0.30 0.63 -0.07 0.09 0.00 0.00 178.44 178.38 2nw4 h LEU 701 N -0.70 1.08 -2.07 1.67 4.07 -1.24 0.28 115.31 118.41 2nw4 h LEU 701 Ca -0.06 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 57.97 2nw4 h LEU 701 Cb 0.45 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2nw4 h LEU 701 CO 0.10 0.78 0.27 0.28 -1.08 0.00 0.00 178.44 178.79 2nw4 h SER 702 N 1.28 0.00 0.06 -0.43 0.02 -1.02 0.31 113.55 113.76 2nw4 h SER 702 Ca 0.35 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.11 2nw4 h SER 702 Cb -0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2nw4 h SER 702 CO -0.08 0.00 -0.98 0.28 -1.14 0.00 0.00 176.83 174.91 2nw4 h SER 703 N 0.00 0.20 -0.52 3.07 0.02 -1.03 -3.02 113.55 112.26 2nw4 h SER 703 Ca 0.15 -0.81 0.10 0.00 -0.84 0.00 0.00 61.79 60.40 2nw4 h SER 703 Cb 0.69 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.08 2nw4 h SER 703 CO -0.00 1.42 0.01 -0.07 -1.14 0.00 0.00 176.83 177.05 2nw4 h LEU 704 N -0.66 -0.20 -0.84 5.07 3.38 0.26 0.22 115.31 122.53 2nw4 h LEU 704 Ca -0.23 0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.93 2nw4 h LEU 704 Cb 1.45 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 2nw4 h LEU 704 CO -0.02 -0.07 0.51 0.78 0.09 0.00 0.00 178.44 179.74 2nw4 h ASN 705 N 0.13 0.79 -0.05 -0.43 -0.26 -0.56 0.42 115.58 115.62 2nw4 h ASN 705 Ca 0.27 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.98 2nw4 h ASN 705 Cb 0.41 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2nw4 h ASN 705 CO -0.43 0.50 -0.11 -0.08 -1.06 0.00 0.00 177.43 176.24 2nw4 h GLU 706 N 0.92 0.34 -0.14 0.81 4.57 -0.80 -0.32 114.58 119.96 2nw4 h GLU 706 Ca 0.38 -0.08 -0.21 0.00 -1.18 0.00 0.00 59.36 58.26 2nw4 h GLU 706 Cb 0.22 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2nw4 h GLU 706 CO -0.19 0.46 -0.76 1.25 -1.18 0.00 0.00 179.01 178.60 2nw4 h LEU 707 N 0.32 0.85 0.16 1.64 5.85 0.11 -1.58 115.31 122.66 2nw4 h LEU 707 Ca 0.06 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2nw4 h LEU 707 Cb 0.40 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2nw4 h LEU 707 CO 0.02 1.34 -0.45 1.23 -0.34 0.00 0.00 178.44 180.24 2nw4 h GLY 708 N 0.73 -0.95 -0.31 3.75 0.00 0.78 0.46 103.07 107.52 2nw4 h GLY 708 Ca -0.04 0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.90 2nw4 h GLY 708 CO 0.15 -0.28 -0.39 -2.09 0.00 0.00 0.00 176.54 173.93 2nw4 h GLU 709 N -0.71 -0.26 -0.07 4.80 4.57 -1.03 0.23 114.58 122.12 2nw4 h GLU 709 Ca 0.01 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2nw4 h GLU 709 Cb 0.72 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2nw4 h GLU 709 CO -0.23 -0.17 0.01 0.00 -1.18 0.00 0.00 179.01 177.44 2nw4 h ARG 710 N -0.27 0.04 -0.38 1.92 3.08 -0.76 -2.33 114.38 115.67 2nw4 h ARG 710 Ca 0.17 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2nw4 h ARG 710 Cb 0.57 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2nw4 h ARG 710 CO -0.60 0.02 0.21 1.96 -1.07 0.00 0.00 179.97 180.49 2nw4 h GLN 711 N 0.04 0.52 -0.21 0.04 1.08 0.57 -2.76 115.11 114.38 2nw4 h GLN 711 Ca 0.03 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2nw4 h GLN 711 Cb 0.02 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 2nw4 h GLN 711 CO -0.04 0.38 -0.06 1.25 -0.95 0.00 0.00 178.83 179.41 2nw4 h LEU 712 N 0.52 -0.22 -0.29 1.46 5.85 -0.01 -1.42 115.31 121.21 2nw4 h LEU 712 Ca 0.14 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2nw4 h LEU 712 Cb 0.02 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2nw4 h LEU 712 CO -0.02 -0.08 -0.06 0.58 -0.34 0.00 0.00 178.44 178.52 2nw4 h VAL 713 N -0.01 0.72 -0.69 1.05 2.07 -1.28 -1.76 116.25 116.34 2nw4 h VAL 713 Ca 0.10 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2nw4 h VAL 713 Cb 0.17 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2nw4 h VAL 713 CO -0.22 0.00 0.37 0.45 0.02 0.00 0.00 177.57 178.19 2nw4 h HIS 714 N 0.02 0.96 -0.62 1.57 3.86 -1.48 -1.90 115.15 117.56 2nw4 h HIS 714 Ca 0.14 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2nw4 h HIS 714 Cb 0.21 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 2nw4 h HIS 714 CO -0.27 0.69 0.41 0.28 0.86 0.00 0.00 177.93 179.90 2nw4 h VAL 715 N 0.95 1.09 0.09 2.45 2.07 -0.73 0.20 116.25 122.36 2nw4 h VAL 715 Ca 0.24 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2nw4 h VAL 715 Cb 0.06 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2nw4 h VAL 715 CO -0.04 0.14 -0.04 0.58 0.02 0.00 0.00 177.57 178.22 2nw4 h VAL 716 N 0.74 1.05 0.00 2.57 2.07 -0.57 0.22 116.25 122.32 2nw4 h VAL 716 Ca 0.25 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2nw4 h VAL 716 Cb 0.07 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2nw4 h VAL 716 CO -0.07 0.12 -0.10 0.11 0.02 0.00 0.00 177.57 177.66 2nw4 h LYS 717 N -0.35 0.00 0.01 1.57 1.57 -0.80 -0.05 116.57 118.52 2nw4 h LYS 717 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2nw4 h LYS 717 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2nw4 h LYS 717 CO 0.02 0.10 -0.00 2.35 -0.57 0.00 0.00 179.45 181.35 2nw4 h TRP 718 N 0.00 -0.01 -0.30 -1.35 7.01 -0.28 -3.13 115.95 117.89 2nw4 h TRP 718 Ca -0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2nw4 h TRP 718 Cb 0.30 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2nw4 h TRP 718 CO 0.00 0.82 0.17 0.00 -2.79 0.00 0.00 178.44 176.64 2nw4 h ALA 719 N 0.00 0.38 -0.92 2.65 0.00 -0.34 -3.00 119.26 118.03 2nw4 h ALA 719 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nw4 h ALA 719 Cb 0.84 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2nw4 h ALA 719 CO 0.00 -0.10 0.58 0.87 0.00 0.00 0.00 179.25 180.61 2nw4 h LYS 720 N 0.37 1.23 -0.88 0.00 1.79 -1.15 -1.95 116.57 115.98 2nw4 h LYS 720 Ca 0.11 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2nw4 h LYS 720 Cb 0.05 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 30.43 2nw4 h LYS 720 CO -0.02 0.84 0.00 0.00 -1.08 0.00 0.00 179.45 179.19 2nw4 n ALA 721 N -2.37 2.90 -1.98 3.86 0.00 -1.15 -4.65 120.51 117.13 2nw4 n ALA 721 Ca 0.10 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 2nw4 n ALA 721 Cb 0.03 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 2nw4 n ALA 721 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nw4 s LEU 722 N -0.78 3.84 0.14 0.00 1.98 -0.73 -4.99 118.68 118.14 2nw4 s LEU 722 Ca 0.15 1.44 -0.31 0.00 -2.89 0.00 0.00 54.13 52.52 2nw4 s LEU 722 Cb 0.12 -4.31 -0.11 0.00 0.66 0.00 0.00 46.19 42.54 2nw4 s LEU 722 CO 0.04 -0.41 1.82 -2.65 -1.89 0.00 0.00 176.35 173.26 2nw4 n PRO 723 N -1.02 2.79 -1.17 0.98 -0.02 -1.26 -2.32 135.00 132.98 2nw4 n PRO 723 Ca 0.05 1.01 -0.07 0.00 -2.02 0.00 0.00 63.50 62.48 2nw4 n PRO 723 Cb 0.54 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 2nw4 n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nw4 n GLY 724 N 4.18 0.63 0.25 -1.23 0.00 -1.26 -4.84 105.19 102.92 2nw4 n GLY 724 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2nw4 n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2nw4 h PHE 725 N 0.00 0.37 0.00 1.61 3.57 -1.76 -2.84 116.94 117.88 2nw4 h PHE 725 Ca -0.14 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2nw4 h PHE 725 Cb 1.09 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2nw4 h PHE 725 CO 0.60 0.45 0.00 0.54 -2.23 0.00 0.00 178.31 177.67 2nw4 n ARG 726 N -4.27 0.42 0.20 1.11 5.12 -1.26 -2.30 116.66 115.69 2nw4 n ARG 726 Ca 0.00 0.05 0.14 0.00 -1.93 0.00 0.00 57.85 56.11 2nw4 n ARG 726 Cb 0.27 -1.50 0.43 0.00 -1.16 0.00 0.00 32.46 30.50 2nw4 n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2nw4 h ASN 727 N 0.00 0.00 -4.28 0.55 -0.26 -1.91 -3.45 115.58 106.24 2nw4 h ASN 727 Ca 0.00 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.23 2nw4 h ASN 727 Cb 0.07 0.00 0.12 0.00 -1.06 0.00 0.00 38.32 37.45 2nw4 h ASN 727 CO 0.00 0.00 0.34 -0.76 -1.06 0.00 0.00 177.43 175.95 2nw4 s LEU 728 N -5.60 3.14 0.48 1.61 1.43 -0.97 -4.90 118.68 113.87 2nw4 s LEU 728 Ca 0.05 1.87 -0.22 0.00 -1.03 0.00 0.00 54.13 54.80 2nw4 s LEU 728 Cb 0.08 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.70 2nw4 s LEU 728 CO 0.57 -1.89 1.15 -2.28 0.23 0.00 0.00 176.35 174.13 2nw4 s HIS 729 N -2.74 2.84 0.20 0.29 5.65 -1.26 -4.81 115.29 115.45 2nw4 s HIS 729 Ca 0.63 1.54 -0.14 0.00 0.25 0.00 0.00 55.06 57.34 2nw4 s HIS 729 Cb -0.18 -3.35 0.21 0.00 -1.18 0.00 0.00 32.58 28.09 2nw4 s HIS 729 CO 0.52 -1.49 1.65 0.28 -0.65 0.00 0.00 174.74 175.05 2nw4 h VAL 730 N 1.71 0.49 0.00 0.89 2.07 -1.93 0.24 116.25 119.72 2nw4 h VAL 730 Ca -0.49 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2nw4 h VAL 730 Cb 1.25 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2nw4 h VAL 730 CO 0.59 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.66 2nw4 n ASP 731 N -5.33 0.29 -0.01 0.57 8.00 -1.26 -2.73 116.55 116.08 2nw4 n ASP 731 Ca 0.06 -1.71 -0.01 0.00 0.71 0.00 0.00 54.79 53.84 2nw4 n ASP 731 Cb 0.30 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 2nw4 n ASP 731 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nw4 n ASP 732 N -0.31 4.62 0.08 -2.24 8.00 0.71 -4.45 116.55 122.96 2nw4 n ASP 732 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2nw4 n ASP 732 Cb 0.07 0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 2nw4 n ASP 732 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2nw4 h GLN 733 N 0.00 -0.13 -0.33 -1.24 4.20 -1.01 -0.77 115.11 115.83 2nw4 h GLN 733 Ca -0.04 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2nw4 h GLN 733 Cb 0.98 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2nw4 h GLN 733 CO 0.00 -0.04 0.17 1.98 -0.67 0.00 0.00 178.83 180.28 2nw4 h MET 734 N -0.19 0.46 0.32 1.46 4.05 -1.84 -2.86 114.93 116.32 2nw4 h MET 734 Ca -0.01 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2nw4 h MET 734 Cb 0.16 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2nw4 h MET 734 CO 0.02 0.40 -0.15 0.00 0.23 0.00 0.00 176.91 177.41 2nw4 h ALA 735 N 1.04 -0.43 -0.93 0.39 0.00 -1.76 -1.54 119.26 116.03 2nw4 h ALA 735 Ca 0.11 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2nw4 h ALA 735 Cb 0.07 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 2nw4 h ALA 735 CO -0.02 -0.72 0.48 0.28 0.00 0.00 0.00 179.25 179.28 2nw4 h VAL 736 N -0.47 0.55 -0.13 0.00 2.07 -1.14 0.85 116.25 117.99 2nw4 h VAL 736 Ca -0.04 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 2nw4 h VAL 736 Cb 0.36 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2nw4 h VAL 736 CO 0.07 0.10 -0.43 0.40 0.02 0.00 0.00 177.57 177.72 2nw4 h ILE 737 N 0.53 1.36 -0.28 4.57 2.04 -1.29 -2.71 117.51 121.73 2nw4 h ILE 737 Ca 0.57 -1.73 -0.15 0.00 1.00 0.00 0.00 64.86 64.54 2nw4 h ILE 737 Cb 1.04 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2nw4 h ILE 737 CO -0.47 0.52 -0.45 1.56 0.00 0.00 0.00 178.15 179.30 2nw4 h GLN 738 N 0.13 0.71 -0.53 2.37 4.20 -0.60 -0.84 115.11 120.55 2nw4 h GLN 738 Ca -0.02 -0.40 -0.09 0.00 0.06 0.00 0.00 58.65 58.20 2nw4 h GLN 738 Cb 1.06 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 2nw4 h GLN 738 CO 0.09 1.02 -0.04 1.88 -0.67 0.00 0.00 178.83 181.11 2nw4 h TYR 739 N 0.57 1.02 -0.51 2.96 0.05 -0.94 -3.17 116.97 116.94 2nw4 h TYR 739 Ca 0.04 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.64 2nw4 h TYR 739 Cb 1.01 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2nw4 h TYR 739 CO 0.05 0.93 0.00 0.43 -1.05 0.00 0.00 178.16 178.52 2nw4 n SER 740 N -4.18 3.05 0.03 3.88 7.64 -1.02 -4.56 113.62 118.47 2nw4 n SER 740 Ca 0.02 -2.10 -0.18 0.00 1.01 0.00 0.00 58.87 57.62 2nw4 n SER 740 Cb 0.35 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2nw4 n SER 740 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2nw4 h TRP 741 N 3.04 0.95 0.72 1.43 5.08 -1.13 -2.31 115.95 123.73 2nw4 h TRP 741 Ca 0.00 -0.49 -0.03 0.00 1.08 0.00 0.00 58.89 59.45 2nw4 h TRP 741 Cb 0.84 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.87 2nw4 h TRP 741 CO 0.42 1.32 -0.46 1.98 -1.28 0.00 0.00 178.44 180.43 2nw4 h MET 742 N 0.39 -1.07 -0.67 0.12 4.05 -1.83 0.48 114.93 116.40 2nw4 h MET 742 Ca -0.10 0.07 0.14 0.00 -0.28 0.00 0.00 59.70 59.53 2nw4 h MET 742 Cb 1.60 0.24 -0.11 0.00 -0.80 0.00 0.00 31.60 32.54 2nw4 h MET 742 CO 0.19 -0.71 0.08 0.78 0.23 0.00 0.00 176.91 177.48 2nw4 h GLY 743 N -1.11 0.82 0.95 1.39 0.00 -1.86 0.45 103.07 103.72 2nw4 h GLY 743 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2nw4 h GLY 743 CO 0.09 -0.20 -0.03 1.41 0.00 0.00 0.00 176.54 177.81 2nw4 h LEU 744 N 0.19 -0.07 -1.16 3.11 3.38 -1.05 0.40 115.31 120.11 2nw4 h LEU 744 Ca 0.36 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.38 2nw4 h LEU 744 Cb 0.60 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 2nw4 h LEU 744 CO -0.52 -0.01 0.59 0.24 0.09 0.00 0.00 178.44 178.83 2nw4 h MET 745 N -0.13 0.94 -0.03 1.13 2.86 0.12 -1.83 114.93 118.00 2nw4 h MET 745 Ca -0.01 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2nw4 h MET 745 Cb 0.11 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2nw4 h MET 745 CO 0.01 0.62 -0.00 0.28 1.06 0.00 0.00 176.91 178.88 2nw4 h VAL 746 N 0.97 1.27 0.16 -2.22 2.07 0.44 -1.72 116.25 117.22 2nw4 h VAL 746 Ca 0.41 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2nw4 h VAL 746 Cb 0.31 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2nw4 h VAL 746 CO -0.17 0.21 -0.20 0.15 0.02 0.00 0.00 177.57 177.59 2nw4 h PHE 747 N -0.27 -0.55 -0.53 1.57 3.57 0.41 0.91 116.94 122.04 2nw4 h PHE 747 Ca 0.01 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2nw4 h PHE 747 Cb 0.34 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 2nw4 h PHE 747 CO 0.04 -0.25 0.03 0.00 -2.23 0.00 0.00 178.31 175.89 2nw4 h ALA 748 N -1.36 0.53 -0.80 2.41 0.00 -1.47 -0.27 119.26 118.30 2nw4 h ALA 748 Ca -0.02 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2nw4 h ALA 748 Cb 0.32 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2nw4 h ALA 748 CO -0.05 -0.37 0.40 1.98 0.00 0.00 0.00 179.25 181.22 2nw4 h MET 749 N 0.14 0.59 -0.87 0.00 1.85 -1.05 0.27 114.93 115.87 2nw4 h MET 749 Ca 0.27 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.35 2nw4 h MET 749 Cb 0.41 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 32.26 2nw4 h MET 749 CO -0.42 0.39 0.57 0.78 -0.40 0.00 0.00 176.91 177.82 2nw4 h GLY 750 N 0.61 1.25 1.06 1.39 0.00 0.93 -1.43 103.07 106.89 2nw4 h GLY 750 Ca 0.42 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2nw4 h GLY 750 CO -0.33 0.39 -0.04 -0.25 0.00 0.00 0.00 176.54 176.30 2nw4 h TRP 751 N 1.12 1.09 -0.26 5.60 2.91 0.14 -1.19 115.95 125.37 2nw4 h TRP 751 Ca 0.34 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2nw4 h TRP 751 Cb -0.04 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.32 2nw4 h TRP 751 CO -0.02 1.00 0.17 0.00 -1.03 0.00 0.00 178.44 178.56 2nw4 h ARG 752 N 0.87 0.35 -0.24 2.65 3.08 -0.38 -1.21 114.38 119.49 2nw4 h ARG 752 Ca 0.15 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.23 2nw4 h ARG 752 Cb 0.59 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 2nw4 h ARG 752 CO 0.04 0.25 -0.18 0.77 -1.07 0.00 0.00 179.97 179.78 2nw4 h SER 753 N 0.34 -0.58 0.19 7.04 0.02 -1.09 0.21 113.55 119.69 2nw4 h SER 753 Ca 0.09 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2nw4 h SER 753 Cb -0.02 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2nw4 h SER 753 CO -0.02 -0.22 -0.28 0.15 -1.14 0.00 0.00 176.83 175.32 2nw4 h PHE 754 N -0.17 -0.79 -0.98 3.45 3.57 -0.82 -1.34 116.94 119.86 2nw4 h PHE 754 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2nw4 h PHE 754 Cb 0.38 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2nw4 h PHE 754 CO -0.34 -0.35 0.65 1.79 -2.23 0.00 0.00 178.31 177.83 2nw4 h THR 755 N -0.50 1.23 0.00 4.41 1.35 -1.16 -1.69 112.91 116.56 2nw4 h THR 755 Ca -0.02 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2nw4 h THR 755 Cb 0.45 -0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 2nw4 h THR 755 CO -0.08 0.24 0.00 0.59 -0.25 0.00 0.00 175.52 176.02 2nw4 n ASN 756 N -4.40 0.00 -0.02 5.36 5.03 0.73 -4.41 115.26 117.55 2nw4 n ASN 756 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 2nw4 n ASN 756 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 2nw4 n ASN 756 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2nw4 n VAL 757 N 0.00 0.00 -3.73 2.41 0.24 -0.74 -4.81 118.33 111.70 2nw4 n VAL 757 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 2nw4 n VAL 757 Cb 0.00 -0.34 0.03 0.00 -1.47 0.00 0.00 33.84 32.06 2nw4 n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2nw4 n ASN 758 N -0.47 -3.43 -1.44 -1.34 4.05 -0.58 -1.70 115.26 110.35 2nw4 n ASN 758 Ca 0.00 -0.96 -0.12 0.00 0.45 0.00 0.00 54.58 53.95 2nw4 n ASN 758 Cb 0.00 -3.53 -0.05 0.00 1.23 0.00 0.00 39.78 37.44 2nw4 n ASN 758 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2nw4 n SER 759 N -2.85 -3.14 0.12 1.20 7.64 -0.85 -4.80 113.62 110.94 2nw4 n SER 759 Ca -0.18 0.28 -0.23 0.00 1.01 0.00 0.00 58.87 59.75 2nw4 n SER 759 Cb 0.63 -2.96 -0.15 0.00 -1.01 0.00 0.00 64.21 60.71 2nw4 n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2nw4 h ARG 760 N 0.00 0.47 -4.76 1.43 2.43 -1.59 -3.46 114.38 108.90 2nw4 h ARG 760 Ca -0.24 -0.81 -0.36 0.00 -0.81 0.00 0.00 59.98 57.76 2nw4 h ARG 760 Cb 0.80 0.30 -0.14 0.00 -0.42 0.00 0.00 29.97 30.51 2nw4 h ARG 760 CO 0.35 1.38 -0.56 -1.64 -1.51 0.00 0.00 179.97 177.99 2nw4 s MET 761 N -2.60 1.48 -0.41 0.20 -1.94 -1.26 -4.98 119.30 109.78 2nw4 s MET 761 Ca -0.10 -1.83 -0.17 0.00 -1.71 0.00 0.00 55.69 51.88 2nw4 s MET 761 Cb 0.05 0.24 0.02 0.00 2.01 0.00 0.00 34.83 37.15 2nw4 s MET 761 CO 0.92 -0.50 0.44 -0.51 -0.01 0.00 0.00 175.02 175.35 2nw4 s LEU 762 N -3.28 4.81 -1.31 -0.03 1.43 -1.09 -4.81 118.68 114.39 2nw4 s LEU 762 Ca 0.39 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2nw4 s LEU 762 Cb 0.05 -2.40 0.11 0.00 0.03 0.00 0.00 46.19 43.99 2nw4 s LEU 762 CO 0.19 -0.56 1.83 0.00 0.23 0.00 0.00 176.35 178.04 2nw4 n TYR 763 N 5.60 3.99 0.10 0.29 9.36 -1.26 0.30 117.16 135.54 2nw4 n TYR 763 Ca -0.07 -2.99 -0.13 0.00 3.32 0.00 0.00 57.90 58.03 2nw4 n TYR 763 Cb 0.48 -2.33 -0.07 0.00 -0.63 0.00 0.00 39.34 36.79 2nw4 n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2nw4 h PHE 764 N 6.57 -0.21 -3.71 2.98 0.04 -1.68 -3.40 116.94 117.53 2nw4 h PHE 764 Ca 0.43 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.10 2nw4 h PHE 764 Cb 0.75 0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.89 2nw4 h PHE 764 CO 1.31 -0.13 -0.11 0.00 -0.60 0.00 0.00 178.31 178.79 2nw4 s ALA 765 N -6.16 -0.04 0.30 2.45 0.00 -0.87 -4.95 121.76 112.49 2nw4 s ALA 765 Ca -0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2nw4 s ALA 765 Cb 0.06 1.06 0.44 0.00 0.00 0.00 0.00 23.12 24.68 2nw4 s ALA 765 CO 0.65 -0.85 1.95 -1.35 0.00 0.00 0.00 175.76 176.16 2nw4 h PRO 766 N 2.20 1.05 -0.01 0.00 0.11 -1.90 -2.11 132.00 131.36 2nw4 h PRO 766 Ca -0.27 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2nw4 h PRO 766 Cb 1.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2nw4 h PRO 766 CO 0.37 0.72 -0.24 -0.40 -0.21 0.00 0.00 178.00 178.24 2nw4 n ASP 767 N -4.39 0.95 -3.53 -2.05 5.68 -1.26 -4.47 116.55 107.48 2nw4 n ASP 767 Ca 0.08 -0.85 -0.27 0.00 -0.50 0.00 0.00 54.79 53.26 2nw4 n ASP 767 Cb 0.05 0.11 -0.10 0.00 -1.14 0.00 0.00 41.12 40.04 2nw4 n ASP 767 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2nw4 n LEU 768 N -0.69 1.09 -4.67 -2.12 7.94 -0.79 -4.62 117.00 113.15 2nw4 n LEU 768 Ca 0.12 -4.78 -0.35 0.00 -1.11 0.00 0.00 56.01 49.90 2nw4 n LEU 768 Cb 0.34 0.04 -0.09 0.00 0.53 0.00 0.00 43.42 44.23 2nw4 n LEU 768 CO 0.26 1.87 -0.26 -0.69 -1.11 0.00 0.00 177.39 177.46 2nw4 s VAL 769 N -0.82 4.73 -0.38 1.96 1.01 -1.24 -1.76 120.40 123.91 2nw4 s VAL 769 Ca 0.31 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 2nw4 s VAL 769 Cb 0.04 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2nw4 s VAL 769 CO -0.16 0.51 0.35 -0.36 0.00 0.00 0.00 175.10 175.44 2nw4 s PHE 770 N -0.07 3.21 0.58 5.22 0.40 0.15 -4.95 117.98 122.51 2nw4 s PHE 770 Ca 0.06 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2nw4 s PHE 770 Cb -0.12 -2.69 0.03 0.00 0.51 0.00 0.00 43.02 40.74 2nw4 s PHE 770 CO 0.01 -0.53 0.84 0.54 0.70 0.00 0.00 175.22 176.78 2nw4 s ASN 771 N 1.74 5.36 0.35 1.36 4.22 -1.26 -2.68 114.94 124.03 2nw4 s ASN 771 Ca 0.10 0.35 0.12 0.00 -2.14 0.00 0.00 52.86 51.28 2nw4 s ASN 771 Cb -0.17 -1.28 0.91 0.00 1.28 0.00 0.00 41.25 41.99 2nw4 s ASN 771 CO 0.12 -1.14 1.79 -0.33 -2.04 0.00 0.00 177.10 175.50 2nw4 h GLU 772 N -0.09 0.57 0.37 3.55 4.39 -1.97 -0.83 114.58 120.56 2nw4 h GLU 772 Ca -0.44 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 2nw4 h GLU 772 Cb 1.28 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2nw4 h GLU 772 CO 0.57 0.38 -0.34 -0.92 -1.16 0.00 0.00 179.01 177.54 2nw4 h TYR 773 N 0.59 -0.92 -0.93 4.33 3.20 -2.00 -2.40 116.97 118.84 2nw4 h TYR 773 Ca 0.56 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.52 2nw4 h TYR 773 Cb 1.12 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.68 2nw4 h TYR 773 CO -0.00 -0.49 0.60 0.00 -1.64 0.00 0.00 178.16 176.63 2nw4 h ARG 774 N -0.73 0.99 -0.83 1.82 -0.00 -1.56 0.28 114.38 114.35 2nw4 h ARG 774 Ca -0.03 -0.06 0.10 0.00 -0.50 0.00 0.00 59.98 59.50 2nw4 h ARG 774 Cb 0.65 -0.22 -0.06 0.00 0.00 0.00 0.00 29.97 30.34 2nw4 h ARG 774 CO -0.05 0.65 0.54 0.52 0.00 0.00 0.00 179.97 181.64 2nw4 h MET 775 N 1.02 0.73 0.13 0.04 2.86 -0.80 -0.44 114.93 118.47 2nw4 h MET 775 Ca 0.42 -0.04 -0.31 0.00 -2.06 0.00 0.00 59.70 57.70 2nw4 h MET 775 Cb 0.28 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2nw4 h MET 775 CO -0.17 0.48 -1.51 1.25 1.06 0.00 0.00 176.91 178.02 2nw4 h HIS 776 N 0.75 0.51 0.00 -0.22 -0.00 -0.72 0.76 115.15 116.23 2nw4 h HIS 776 Ca 0.39 -0.37 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 2nw4 h HIS 776 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2nw4 h HIS 776 CO -0.00 1.40 -0.17 0.87 -0.00 0.00 0.00 177.93 180.03 2nw4 h LYS 777 N 0.08 0.00 0.00 5.26 1.79 -0.54 -2.63 116.57 120.53 2nw4 h LYS 777 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2nw4 h LYS 777 Cb 2.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 2nw4 h LYS 777 CO 0.17 0.17 0.00 0.66 -1.08 0.00 0.00 179.45 179.37 2nw4 h SER 778 N 0.00 0.00 0.00 0.86 4.64 -1.23 -3.32 113.55 114.49 2nw4 h SER 778 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nw4 h SER 778 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2nw4 h SER 778 CO 0.02 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.52 2nw4 n ARG 779 N -2.77 -0.17 -0.66 4.77 1.74 -0.99 -4.83 116.66 113.75 2nw4 n ARG 779 Ca 0.04 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 2nw4 n ARG 779 Cb 0.46 -3.12 0.35 0.00 -1.02 0.00 0.00 32.46 29.13 2nw4 n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2nw4 n MET 780 N -2.07 3.96 -1.96 5.56 2.81 -1.24 -4.94 117.12 119.24 2nw4 n MET 780 Ca 0.00 -2.93 -0.42 0.00 -1.81 0.00 0.00 57.70 52.54 2nw4 n MET 780 Cb 0.04 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.55 2nw4 n MET 780 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2nw4 s TYR 781 N -2.20 2.89 0.00 2.03 6.14 0.26 -0.61 117.35 125.86 2nw4 s TYR 781 Ca 0.50 0.57 0.00 0.00 0.64 0.00 0.00 57.07 58.78 2nw4 s TYR 781 Cb 0.35 -3.91 0.00 0.00 0.42 0.00 0.00 41.96 38.82 2nw4 s TYR 781 CO 0.20 -3.44 0.00 -1.13 0.64 0.00 0.00 175.55 171.82 2nw4 n SER 782 N 4.46 0.00 -0.17 4.32 3.41 -1.26 -4.70 113.62 119.68 2nw4 n SER 782 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.73 2nw4 n SER 782 Cb 0.39 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.53 2nw4 n SER 782 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2nw4 h GLN 783 N 0.00 0.92 -0.40 4.33 4.20 -1.74 0.35 115.11 122.77 2nw4 h GLN 783 Ca 0.00 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 2nw4 h GLN 783 Cb 0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2nw4 h GLN 783 CO 0.00 0.76 -0.29 0.00 -0.67 0.00 0.00 178.83 178.63 2nw4 h VAL 785 N 0.74 0.91 0.23 0.00 2.07 -1.28 0.13 116.25 119.05 2nw4 h VAL 785 Ca 0.08 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2nw4 h VAL 785 Cb 0.85 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2nw4 h VAL 785 CO 0.07 0.09 -0.17 0.03 0.02 0.00 0.00 177.57 177.61 2nw4 h ARG 786 N 0.48 -0.39 -0.94 1.57 3.08 0.15 0.55 114.38 118.88 2nw4 h ARG 786 Ca 0.25 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.38 2nw4 h ARG 786 Cb 0.19 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 2nw4 h ARG 786 CO -0.19 -0.26 0.60 0.52 -1.07 0.00 0.00 179.97 179.56 2nw4 h MET 787 N -0.41 1.06 -0.04 0.04 2.86 -0.37 0.36 114.93 118.43 2nw4 h MET 787 Ca -0.01 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2nw4 h MET 787 Cb 0.36 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2nw4 h MET 787 CO -0.01 0.70 -0.46 -0.09 1.06 0.00 0.00 176.91 178.12 2nw4 h ARG 788 N 1.09 0.09 -0.07 1.72 2.43 -0.57 -1.76 114.38 117.32 2nw4 h ARG 788 Ca 0.40 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2nw4 h ARG 788 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2nw4 h ARG 788 CO -0.17 0.53 0.02 1.25 -1.51 0.00 0.00 179.97 180.10 2nw4 h HIS 789 N 0.07 0.11 -0.89 2.20 2.76 0.11 -1.83 115.15 117.68 2nw4 h HIS 789 Ca 0.00 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2nw4 h HIS 789 Cb 0.84 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.73 2nw4 h HIS 789 CO 0.01 0.25 0.58 1.25 -1.30 0.00 0.00 177.93 178.72 2nw4 h LEU 790 N -0.07 1.03 -1.36 0.26 5.85 -1.02 -1.93 115.31 118.08 2nw4 h LEU 790 Ca 0.02 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2nw4 h LEU 790 Cb 0.19 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2nw4 h LEU 790 CO -0.00 0.76 0.48 -1.28 -0.34 0.00 0.00 178.44 178.06 2nw4 h SER 791 N 1.21 0.69 0.62 1.25 0.87 -0.98 -1.90 113.55 115.32 2nw4 h SER 791 Ca 0.33 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 2nw4 h SER 791 Cb -0.12 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2nw4 h SER 791 CO -0.07 0.45 -0.31 1.56 -0.53 0.00 0.00 176.83 177.93 2nw4 h GLN 792 N 0.79 0.00 -0.26 2.24 4.20 -0.53 -2.95 115.11 118.59 2nw4 h GLN 792 Ca 0.32 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 2nw4 h GLN 792 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2nw4 h GLN 792 CO -0.10 0.31 -0.13 0.93 -0.67 0.00 0.00 178.83 179.17 2nw4 h GLU 793 N 0.00 0.44 -0.99 1.46 4.39 -1.15 0.20 114.58 118.93 2nw4 h GLU 793 Ca -0.00 -0.12 0.10 0.00 0.34 0.00 0.00 59.36 59.68 2nw4 h GLU 793 Cb 0.71 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.23 2nw4 h GLU 793 CO 0.04 0.57 0.63 0.74 -1.16 0.00 0.00 179.01 179.83 2nw4 h PHE 794 N 0.41 1.15 0.27 4.33 0.04 -1.55 0.32 116.94 121.90 2nw4 h PHE 794 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2nw4 h PHE 794 Cb 0.48 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2nw4 h PHE 794 CO 0.01 0.51 -0.13 0.78 -0.60 0.00 0.00 178.31 178.88 2nw4 h GLY 795 N 1.04 -0.37 -0.51 -1.45 0.00 -1.43 0.27 103.07 100.62 2nw4 h GLY 795 Ca 0.47 0.14 0.13 0.00 0.00 0.00 0.00 47.33 48.07 2nw4 h GLY 795 CO -0.23 -0.14 -0.27 1.49 0.00 0.00 0.00 176.54 177.40 2nw4 h TRP 796 N -1.00 -0.69 -0.00 5.60 6.55 -0.45 0.23 115.95 126.18 2nw4 h TRP 796 Ca -0.04 0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2nw4 h TRP 796 Cb 0.27 0.41 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 2nw4 h TRP 796 CO 0.01 -0.36 -0.03 1.28 -1.05 0.00 0.00 178.44 178.29 2nw4 n LEU 797 N -5.47 0.07 -3.61 -4.49 4.77 0.11 -4.94 117.00 103.45 2nw4 n LEU 797 Ca 0.08 0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 56.14 2nw4 n LEU 797 Cb 0.37 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2nw4 n LEU 797 CO -0.01 0.01 0.11 0.00 -1.33 0.00 0.00 177.39 176.17 2nw4 n GLN 798 N -1.31 -6.44 -1.77 3.23 6.02 0.79 -4.91 117.38 112.99 2nw4 n GLN 798 Ca 0.12 0.76 -0.40 0.00 -0.01 0.00 0.00 57.00 57.46 2nw4 n GLN 798 Cb 0.27 -5.66 0.01 0.00 1.02 0.00 0.00 30.24 25.88 2nw4 n GLN 798 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2nw4 n ILE 799 N -4.47 2.44 -3.62 5.09 2.08 0.84 -4.99 119.36 116.72 2nw4 n ILE 799 Ca -0.17 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.31 2nw4 n ILE 799 Cb 0.62 -1.90 -0.05 0.00 -0.75 0.00 0.00 39.64 37.56 2nw4 n ILE 799 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2nw4 s THR 800 N -1.16 5.13 0.36 1.39 2.01 -1.26 -4.93 115.64 117.17 2nw4 s THR 800 Ca 0.58 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.94 2nw4 s THR 800 Cb -0.46 -3.63 0.32 0.00 0.01 0.00 0.00 72.50 68.74 2nw4 s THR 800 CO 0.60 0.19 1.88 -0.65 -0.69 0.00 0.00 174.62 175.95 2nw4 h PRO 801 N 3.37 0.68 -0.20 4.92 0.11 -1.98 0.73 132.00 139.63 2nw4 h PRO 801 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 2nw4 h PRO 801 Cb 1.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2nw4 h PRO 801 CO 0.69 0.45 -0.38 1.96 -0.21 0.00 0.00 178.00 180.50 2nw4 h GLN 802 N 0.70 0.45 -0.14 1.05 7.50 -1.99 -0.88 115.11 121.79 2nw4 h GLN 802 Ca 0.44 -0.21 -0.21 0.00 0.50 0.00 0.00 58.65 59.16 2nw4 h GLN 802 Cb 0.68 -0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.21 2nw4 h GLN 802 CO -0.19 0.76 -0.74 0.93 -1.50 0.00 0.00 178.83 178.09 2nw4 h GLU 803 N 0.38 0.76 0.60 1.46 5.08 -1.14 -2.67 114.58 119.05 2nw4 h GLU 803 Ca 0.04 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 2nw4 h GLU 803 Cb 0.84 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2nw4 h GLU 803 CO 0.07 1.23 -0.39 0.35 -1.00 0.00 0.00 179.01 179.27 2nw4 h PHE 804 N 0.48 -1.05 -0.59 4.33 3.57 0.55 0.50 116.94 124.73 2nw4 h PHE 804 Ca -0.05 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.56 2nw4 h PHE 804 Cb 1.38 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 40.41 2nw4 h PHE 804 CO 0.09 -0.59 0.08 -0.07 -2.23 0.00 0.00 178.31 175.60 2nw4 h LEU 805 N -0.95 -0.09 -0.69 0.59 3.38 -1.23 0.19 115.31 116.52 2nw4 h LEU 805 Ca -0.07 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2nw4 h LEU 805 Cb 0.78 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2nw4 h LEU 805 CO 0.06 -0.03 0.26 0.00 0.09 0.00 0.00 178.44 178.82 2nw4 h MET 807 N 0.98 0.16 -0.40 0.00 2.86 0.00 -1.98 114.93 116.55 2nw4 h MET 807 Ca 0.23 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 2nw4 h MET 807 Cb 0.23 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.78 2nw4 h MET 807 CO -0.02 0.38 -0.22 -0.22 1.06 0.00 0.00 176.91 177.90 2nw4 h LYS 808 N -0.09 -0.14 0.42 1.72 3.64 -0.47 0.23 116.57 121.88 2nw4 h LYS 808 Ca 0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2nw4 h LYS 808 Cb 0.30 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2nw4 h LYS 808 CO 0.00 -0.09 -0.51 0.00 -2.27 0.00 0.00 179.45 176.58 2nw4 h ALA 809 N 1.09 -1.10 -0.78 5.00 0.00 -1.30 -1.85 119.26 120.32 2nw4 h ALA 809 Ca 0.19 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.11 2nw4 h ALA 809 Cb 0.45 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2nw4 h ALA 809 CO -0.49 -1.17 0.25 1.25 0.00 0.00 0.00 179.25 179.09 2nw4 h LEU 810 N -0.95 0.13 -0.98 0.00 6.46 -0.87 -0.07 115.31 119.03 2nw4 h LEU 810 Ca -0.05 0.14 0.32 0.00 -0.12 0.00 0.00 57.88 58.17 2nw4 h LEU 810 Cb 0.85 0.17 -0.17 0.00 -0.73 0.00 0.00 40.66 40.77 2nw4 h LEU 810 CO -0.11 -0.01 0.26 0.25 -0.62 0.00 0.00 178.44 178.21 2nw4 h LEU 811 N 0.33 -0.09 -1.04 2.25 6.46 0.32 0.35 115.31 123.89 2nw4 h LEU 811 Ca 0.45 0.26 0.09 0.00 -0.12 0.00 0.00 57.88 58.56 2nw4 h LEU 811 Cb 0.79 0.36 -0.07 0.00 -0.73 0.00 0.00 40.66 41.01 2nw4 h LEU 811 CO -0.50 -0.34 0.63 0.25 -0.62 0.00 0.00 178.44 177.86 2nw4 h LEU 812 N 0.05 0.97 -3.02 2.25 5.85 -0.87 -1.46 115.31 119.07 2nw4 h LEU 812 Ca 0.68 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 59.17 2nw4 h LEU 812 Cb 1.58 -0.18 -0.15 0.00 0.37 0.00 0.00 40.66 42.28 2nw4 h LEU 812 CO -0.82 0.58 0.32 0.49 -0.34 0.00 0.00 178.44 178.67 2nw4 n PHE 813 N -4.54 1.63 -0.69 1.25 3.72 0.12 -4.37 117.46 114.58 2nw4 n PHE 813 Ca 0.17 -1.15 0.08 0.00 -0.05 0.00 0.00 57.45 56.50 2nw4 n PHE 813 Cb 0.26 -0.60 0.27 0.00 -0.94 0.00 0.00 39.48 38.47 2nw4 n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2nw4 n SER 814 N -0.32 4.03 -3.65 4.37 7.64 -0.55 -4.95 113.62 120.19 2nw4 n SER 814 Ca 0.31 -2.62 -0.05 0.00 1.01 0.00 0.00 58.87 57.52 2nw4 n SER 814 Cb 1.11 -0.49 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 2nw4 n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2nw4 s ILE 815 N -2.12 -0.45 0.07 0.44 2.07 -1.26 -0.69 121.20 119.25 2nw4 s ILE 815 Ca 0.41 0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.60 2nw4 s ILE 815 Cb 0.29 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.96 2nw4 s ILE 815 CO 0.15 0.01 0.16 0.27 -1.91 0.00 0.00 174.94 173.62 2nw4 s ILE 816 N 2.20 0.14 0.46 2.00 -5.25 -1.06 -4.87 121.20 114.82 2nw4 s ILE 816 Ca -0.08 -1.18 -0.24 0.00 -0.99 0.00 0.00 60.65 58.17 2nw4 s ILE 816 Cb -0.09 -1.23 -0.07 0.00 2.95 0.00 0.00 42.46 44.02 2nw4 s ILE 816 CO -0.18 -0.65 1.30 -2.84 -1.79 0.00 0.00 174.94 170.78 2nw4 s PRO 817 N -3.48 3.68 0.42 0.37 0.02 -1.26 -2.24 135.00 132.51 2nw4 s PRO 817 Ca 0.02 2.12 0.10 0.00 0.02 0.00 0.00 61.00 63.26 2nw4 s PRO 817 Cb 0.03 -2.54 0.94 0.00 0.02 0.00 0.00 34.50 32.95 2nw4 s PRO 817 CO -0.09 -0.72 2.04 -0.24 -0.33 0.00 0.00 177.00 177.66 2nw4 h VAL 818 N 2.05 1.04 -0.15 3.83 3.04 -1.32 -0.31 116.25 124.43 2nw4 h VAL 818 Ca -0.50 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2nw4 h VAL 818 Cb 1.26 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2nw4 h VAL 818 CO 0.60 0.09 0.00 -0.90 -1.01 0.00 0.00 177.57 176.35 2nw4 n ASP 819 N -4.48 1.74 -0.83 3.17 5.75 -1.26 -5.00 116.55 115.64 2nw4 n ASP 819 Ca 0.05 -2.15 0.10 0.00 -0.01 0.00 0.00 54.79 52.78 2nw4 n ASP 819 Cb 0.15 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 39.78 2nw4 n ASP 819 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nw4 n GLY 820 N 0.34 -2.87 0.82 6.12 0.00 -0.13 -4.98 105.19 104.49 2nw4 n GLY 820 Ca 0.06 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 2nw4 n GLY 820 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nw4 n LEU 821 N -3.41 0.00 -0.22 0.99 4.77 -1.26 -4.77 117.00 113.10 2nw4 n LEU 821 Ca -0.05 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.50 2nw4 n LEU 821 Cb 0.39 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2nw4 n LEU 821 CO 0.02 -0.67 0.93 0.11 -1.33 0.00 0.00 177.39 176.45 2nw4 h LYS 822 N 0.00 0.96 -2.19 3.23 1.79 -1.94 -3.32 116.57 115.10 2nw4 h LYS 822 Ca -0.08 -0.22 -0.58 0.00 -2.18 0.00 0.00 60.65 57.59 2nw4 h LYS 822 Cb 0.25 -0.13 -0.40 0.00 -1.58 0.00 0.00 32.23 30.37 2nw4 h LYS 822 CO 0.07 0.87 -0.93 0.09 -1.08 0.00 0.00 179.45 178.46 2nw4 n ASN 823 N -4.36 1.03 -0.23 0.86 4.13 -1.26 -4.97 115.26 110.46 2nw4 n ASN 823 Ca 0.03 -2.83 0.03 0.00 1.68 0.00 0.00 54.58 53.49 2nw4 n ASN 823 Cb 0.23 -0.64 0.13 0.00 -1.54 0.00 0.00 39.78 37.96 2nw4 n ASN 823 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2nw4 h GLN 824 N 4.45 0.16 -0.99 3.52 5.75 -1.94 -2.34 115.11 123.72 2nw4 h GLN 824 Ca 0.14 -0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.85 2nw4 h GLN 824 Cb 0.83 -0.04 -0.12 0.00 1.07 0.00 0.00 27.48 29.23 2nw4 h GLN 824 CO 0.54 0.10 0.58 -0.22 -2.65 0.00 0.00 178.83 177.19 2nw4 h LYS 825 N 0.16 0.63 -0.08 1.69 3.64 -1.94 0.11 116.57 120.78 2nw4 h LYS 825 Ca 0.36 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2nw4 h LYS 825 Cb 0.61 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2nw4 h LYS 825 CO -0.54 0.42 -0.06 0.74 -2.27 0.00 0.00 179.45 177.73 2nw4 h PHE 826 N 0.65 0.22 -0.14 1.91 0.04 -1.78 -2.53 116.94 115.31 2nw4 h PHE 826 Ca 0.60 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 61.36 2nw4 h PHE 826 Cb 1.05 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 39.08 2nw4 h PHE 826 CO -0.02 0.59 -0.37 0.35 -0.60 0.00 0.00 178.31 178.26 2nw4 h PHE 827 N -0.22 -1.04 -0.81 -0.55 3.57 -0.71 0.15 116.94 117.33 2nw4 h PHE 827 Ca 0.02 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2nw4 h PHE 827 Cb 0.54 0.48 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 2nw4 h PHE 827 CO 0.08 -0.44 0.36 -0.44 -2.23 0.00 0.00 178.31 175.64 2nw4 h ASP 828 N -0.44 1.08 -0.79 0.41 3.32 -1.09 0.70 116.42 119.60 2nw4 h ASP 828 Ca 0.09 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2nw4 h ASP 828 Cb 0.59 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2nw4 h ASP 828 CO -0.38 0.93 0.51 -0.08 -1.72 0.00 0.00 179.24 178.50 2nw4 h GLU 829 N 1.16 1.06 -0.62 3.56 4.81 -0.98 0.11 114.58 123.68 2nw4 h GLU 829 Ca 0.27 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 2nw4 h GLU 829 Cb 0.16 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2nw4 h GLU 829 CO -0.03 0.72 0.01 1.25 -0.73 0.00 0.00 179.01 180.22 2nw4 h LEU 830 N 1.08 1.07 -1.17 1.64 5.85 -0.02 -2.64 115.31 121.12 2nw4 h LEU 830 Ca 0.29 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2nw4 h LEU 830 Cb -0.09 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.64 2nw4 h LEU 830 CO -0.06 1.11 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.90 2nw4 h ARG 831 N 0.99 0.00 -0.02 1.25 2.43 -0.05 -2.83 114.38 116.15 2nw4 h ARG 831 Ca 0.18 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 2nw4 h ARG 831 Cb 0.56 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2nw4 h ARG 831 CO 0.03 0.16 -0.70 1.98 -1.51 0.00 0.00 179.97 179.93 2nw4 h MET 832 N 0.00 0.51 0.00 0.20 4.05 -0.53 -2.47 114.93 116.69 2nw4 h MET 832 Ca -0.00 -0.52 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2nw4 h MET 832 Cb 0.69 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2nw4 h MET 832 CO 0.02 1.16 -0.10 -0.91 0.23 0.00 0.00 176.91 177.31 2nw4 h ASN 833 N 0.06 0.00 0.24 1.39 -0.26 -1.34 -2.22 115.58 113.46 2nw4 h ASN 833 Ca -0.08 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.31 2nw4 h ASN 833 Cb 1.39 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.67 2nw4 h ASN 833 CO 0.14 0.10 -1.62 1.88 -1.06 0.00 0.00 177.43 176.87 2nw4 h TYR 834 N 0.00 0.84 -0.18 1.19 -1.99 -1.46 -2.86 116.97 112.50 2nw4 h TYR 834 Ca -0.00 -0.61 -0.02 0.00 2.00 0.00 0.00 58.73 60.10 2nw4 h TYR 834 Cb 0.26 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2nw4 h TYR 834 CO 0.00 1.61 0.04 0.82 -0.00 0.00 0.00 178.16 180.63 2nw4 h ILE 835 N 0.13 1.10 0.00 -2.88 2.04 -1.08 -2.05 117.51 114.77 2nw4 h ILE 835 Ca -0.30 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.03 2nw4 h ILE 835 Cb 2.13 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.10 2nw4 h ILE 835 CO 0.23 0.12 -0.91 0.11 0.00 0.00 0.00 178.15 177.70 2nw4 h LYS 836 N 0.26 0.00 -0.25 2.37 1.79 -1.47 -2.53 116.57 116.74 2nw4 h LYS 836 Ca 0.06 -0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 2nw4 h LYS 836 Cb 0.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2nw4 h LYS 836 CO -0.00 0.91 -0.28 0.93 -1.08 0.00 0.00 179.45 179.93 2nw4 h GLU 837 N 0.00 0.50 -0.33 3.15 4.39 -1.15 0.70 114.58 121.84 2nw4 h GLU 837 Ca -0.01 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2nw4 h GLU 837 Cb 1.61 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2nw4 h GLU 837 CO 0.12 0.74 0.05 1.25 -1.16 0.00 0.00 179.01 180.01 2nw4 h LEU 838 N 0.44 0.53 -1.00 1.33 5.85 -1.32 -2.35 115.31 118.79 2nw4 h LEU 838 Ca 0.06 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2nw4 h LEU 838 Cb 0.72 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2nw4 h LEU 838 CO 0.06 0.66 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.55 2nw4 h ASP 839 N 0.38 0.00 0.38 1.25 1.82 -1.20 -1.67 116.42 117.37 2nw4 h ASP 839 Ca 0.10 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 2nw4 h ASP 839 Cb 0.36 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2nw4 h ASP 839 CO 0.01 0.49 -0.42 0.03 -1.61 0.00 0.00 179.24 177.73 2nw4 h ARG 840 N 0.00 0.06 0.09 0.28 3.08 -0.62 -2.36 114.38 114.90 2nw4 h ARG 840 Ca -0.00 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 2nw4 h ARG 840 Cb 0.88 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.94 2nw4 h ARG 840 CO 0.06 0.47 -0.77 0.82 -1.07 0.00 0.00 179.97 179.48 2nw4 h ILE 841 N 0.05 1.43 -0.04 2.04 2.04 -1.12 -3.30 117.51 118.61 2nw4 h ILE 841 Ca 0.00 -2.43 0.01 0.00 1.00 0.00 0.00 64.86 63.44 2nw4 h ILE 841 Cb 0.77 3.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.91 2nw4 h ILE 841 CO 0.06 0.65 0.04 0.16 0.00 0.00 0.00 178.15 179.06 2nw4 h ILE 842 N -0.57 0.68 -3.62 -0.67 -0.00 -1.34 -3.37 117.51 108.62 2nw4 h ILE 842 Ca -0.16 0.00 -0.68 0.00 -0.00 0.00 0.00 64.86 64.02 2nw4 h ILE 842 Cb 1.47 0.97 -0.26 0.00 -0.00 0.00 0.00 36.82 39.00 2nw4 h ILE 842 CO 0.06 0.00 -0.61 0.00 -0.00 0.00 0.00 178.15 177.60 2nw4 s ALA 843 N -4.79 3.09 0.00 0.16 0.00 -0.89 -4.77 121.76 114.56 2nw4 s ALA 843 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2nw4 s ALA 843 Cb 0.16 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2nw4 s ALA 843 CO 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 175.76 175.32 2nw4 n LYS 845 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.00 118.16 111.90 2nw4 n LYS 845 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2nw4 n LYS 845 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2nw4 n LYS 845 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2nw4 n ARG 846 N 0.00 0.72 -2.58 -1.58 -4.01 -1.26 -4.82 116.66 103.13 2nw4 n ARG 846 Ca 0.00 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.48 2nw4 n ARG 846 Cb 0.00 -1.03 -0.05 0.00 -3.04 0.00 0.00 32.46 28.34 2nw4 n ARG 846 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2nw4 s LYS 847 N -1.92 4.03 0.00 2.89 2.36 -1.26 -4.98 119.74 120.86 2nw4 s LYS 847 Ca 0.00 1.08 0.00 0.00 -2.55 0.00 0.00 55.97 54.50 2nw4 s LYS 847 Cb 0.00 -2.15 0.00 0.00 -1.05 0.00 0.00 37.83 34.63 2nw4 s LYS 847 CO 0.00 -0.21 0.00 0.09 1.55 0.00 0.00 175.35 176.78 2nw4 n ASN 848 N -1.13 0.00 0.00 1.43 4.13 -1.26 -4.84 115.26 113.58 2nw4 n ASN 848 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2nw4 n ASN 848 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2nw4 n ASN 848 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2nw4 n PRO 849 N 0.00 0.00 0.18 3.52 -0.05 -1.26 -2.72 135.00 134.67 2nw4 n PRO 849 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.57 2nw4 n PRO 849 Cb 0.00 0.00 0.66 0.00 -0.05 0.00 0.00 33.50 34.11 2nw4 n PRO 849 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2nw4 h THR 850 N 0.00 0.92 0.01 0.52 1.03 -1.99 0.14 112.91 113.54 2nw4 h THR 850 Ca 0.00 -0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.16 2nw4 h THR 850 Cb 0.00 0.92 0.01 0.00 -1.07 0.00 0.00 68.15 68.01 2nw4 h THR 850 CO 0.00 0.00 -0.98 -1.28 -0.01 0.00 0.00 175.52 173.25 2nw4 h SER 851 N 0.00 0.62 0.23 0.00 0.87 -1.89 -3.14 113.55 110.24 2nw4 h SER 851 Ca 0.08 -0.50 -0.33 0.00 -1.23 0.00 0.00 61.79 59.80 2nw4 h SER 851 Cb 0.31 -0.19 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2nw4 h SER 851 CO -0.00 1.31 -1.48 0.00 -0.53 0.00 0.00 176.83 176.13 2nw4 n SER 853 N -3.74 3.92 0.00 0.00 3.41 0.45 -2.85 113.62 114.81 2nw4 n SER 853 Ca -0.18 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2nw4 n SER 853 Cb 1.08 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2nw4 n SER 853 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2nw4 n ARG 854 N 0.28 0.00 0.16 4.33 0.63 -1.19 -4.68 116.66 116.19 2nw4 n ARG 854 Ca 0.16 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.12 2nw4 n ARG 854 Cb 0.74 -0.56 0.22 0.00 0.45 0.00 0.00 32.46 33.31 2nw4 n ARG 854 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2nw4 h ARG 855 N 0.00 0.00 -0.13 -0.14 2.43 -1.55 -2.74 114.38 112.25 2nw4 h ARG 855 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2nw4 h ARG 855 Cb 0.32 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2nw4 h ARG 855 CO 0.00 0.48 -0.68 0.35 -1.51 0.00 0.00 179.97 178.62 2nw4 h PHE 856 N 0.00 0.71 -0.27 2.20 3.57 -1.82 -0.74 116.94 120.59 2nw4 h PHE 856 Ca -0.00 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2nw4 h PHE 856 Cb 1.08 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2nw4 h PHE 856 CO 0.00 1.06 0.15 -0.92 -2.23 0.00 0.00 178.31 176.36 2nw4 h TYR 857 N 0.38 0.37 -0.19 0.41 3.20 -1.79 -1.14 116.97 118.21 2nw4 h TYR 857 Ca -0.02 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2nw4 h TYR 857 Cb 1.25 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2nw4 h TYR 857 CO 0.05 0.32 -0.21 1.96 -1.64 0.00 0.00 178.16 178.63 2nw4 h GLN 858 N 0.32 0.48 -0.55 1.82 4.20 -1.45 0.31 115.11 120.23 2nw4 h GLN 858 Ca 0.09 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2nw4 h GLN 858 Cb 0.07 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2nw4 h GLN 858 CO -0.01 0.84 0.34 -0.07 -0.67 0.00 0.00 178.83 179.26 2nw4 h LEU 859 N 0.14 0.65 -0.99 1.46 3.38 -1.10 1.02 115.31 119.88 2nw4 h LEU 859 Ca 0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2nw4 h LEU 859 Cb 0.77 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2nw4 h LEU 859 CO 0.05 0.50 -0.37 0.71 0.09 0.00 0.00 178.44 179.42 2nw4 h THR 860 N 0.74 0.91 -0.03 0.22 1.35 -1.18 -1.47 112.91 113.45 2nw4 h THR 860 Ca 0.20 -1.49 -0.16 0.00 -0.55 0.00 0.00 66.41 64.42 2nw4 h THR 860 Cb -0.04 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2nw4 h THR 860 CO -0.04 0.36 -0.69 0.50 -0.25 0.00 0.00 175.52 175.40 2nw4 h LYS 861 N 0.00 0.15 -0.19 4.72 1.63 0.11 -2.51 116.57 120.49 2nw4 h LYS 861 Ca -0.00 -0.12 -0.19 0.00 -0.85 0.00 0.00 60.65 59.48 2nw4 h LYS 861 Cb 0.87 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.53 2nw4 h LYS 861 CO 0.05 0.78 -0.62 1.25 -3.45 0.00 0.00 179.45 177.46 2nw4 h LEU 862 N 0.10 0.88 -0.27 5.20 5.85 0.16 -3.06 115.31 124.17 2nw4 h LEU 862 Ca -0.02 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2nw4 h LEU 862 Cb 1.23 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2nw4 h LEU 862 CO 0.10 1.32 0.14 -0.07 -0.34 0.00 0.00 178.44 179.59 2nw4 h LEU 863 N 0.49 0.34 -1.30 2.25 3.38 -1.24 -2.74 115.31 116.49 2nw4 h LEU 863 Ca -0.02 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.00 2nw4 h LEU 863 Cb 1.25 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 2nw4 h LEU 863 CO 0.13 0.34 0.58 0.44 0.09 0.00 0.00 178.44 180.02 2nw4 h ASP 864 N 0.31 0.63 -0.22 -0.43 3.32 -1.47 -1.88 116.42 116.68 2nw4 h ASP 864 Ca 0.09 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2nw4 h ASP 864 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2nw4 h ASP 864 CO -0.01 0.31 0.03 0.77 -1.72 0.00 0.00 179.24 178.62 2nw4 h SER 865 N 0.67 0.43 -0.22 6.45 4.64 -1.38 -2.22 113.55 121.92 2nw4 h SER 865 Ca 0.45 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2nw4 h SER 865 Cb 0.77 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2nw4 h SER 865 CO -0.21 0.47 0.13 -0.37 -0.87 0.00 0.00 176.83 175.98 2nw4 h VAL 866 N 0.45 1.09 0.02 0.95 -1.51 -1.32 -3.09 116.25 112.84 2nw4 h VAL 866 Ca 0.10 -0.23 0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2nw4 h VAL 866 Cb 0.25 0.76 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 2nw4 h VAL 866 CO 0.00 0.10 -0.16 1.56 -1.23 0.00 0.00 177.57 177.84 2nw4 h GLN 867 N 0.34 -0.27 -0.78 5.19 1.08 -1.48 -0.56 115.11 118.64 2nw4 h GLN 867 Ca 0.09 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2nw4 h GLN 867 Cb 0.03 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 2nw4 h GLN 867 CO -0.01 -0.18 0.46 -1.35 -0.95 0.00 0.00 178.83 176.80 2nw4 h PRO 868 N -0.28 0.79 -0.29 1.46 0.11 -1.66 -0.55 132.00 131.58 2nw4 h PRO 868 Ca 0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2nw4 h PRO 868 Cb 0.33 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2nw4 h PRO 868 CO -0.14 0.52 0.14 0.82 -0.21 0.00 0.00 178.00 179.14 2nw4 h ILE 869 N 0.81 1.15 -0.81 4.15 2.04 -1.52 -1.47 117.51 121.86 2nw4 h ILE 869 Ca 0.36 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2nw4 h ILE 869 Cb 0.25 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2nw4 h ILE 869 CO -0.20 0.15 0.45 0.00 0.00 0.00 0.00 178.15 178.55 2nw4 h ALA 870 N 1.00 1.26 -0.08 1.87 0.00 -0.54 -0.29 119.26 122.49 2nw4 h ALA 870 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nw4 h ALA 870 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2nw4 h ALA 870 CO -0.01 0.60 0.05 -0.09 0.00 0.00 0.00 179.25 179.80 2nw4 h ARG 871 N 1.14 0.10 0.00 0.00 1.12 -0.72 0.45 114.38 116.46 2nw4 h ARG 871 Ca 0.29 -0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.10 2nw4 h ARG 871 Cb 0.02 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2nw4 h ARG 871 CO -0.05 0.06 -0.27 1.49 -3.11 0.00 0.00 179.97 178.10 2nw4 h GLU 872 N 0.10 0.00 -0.07 0.20 4.57 -0.78 -1.67 114.58 116.93 2nw4 h GLU 872 Ca 0.03 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.00 2nw4 h GLU 872 Cb -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2nw4 h GLU 872 CO -0.02 0.27 -0.82 -0.07 -1.18 0.00 0.00 179.01 177.19 2nw4 h LEU 873 N 0.00 0.62 0.81 1.64 3.38 -0.36 -2.29 115.31 119.11 2nw4 h LEU 873 Ca -0.00 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2nw4 h LEU 873 Cb 0.50 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2nw4 h LEU 873 CO 0.03 1.21 -0.50 0.45 0.09 0.00 0.00 178.44 179.73 2nw4 h HIS 874 N 0.33 -1.33 -0.58 1.13 3.86 0.70 -0.55 115.15 118.71 2nw4 h HIS 874 Ca -0.06 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.26 2nw4 h HIS 874 Cb 1.43 0.47 -0.10 0.00 1.06 0.00 0.00 27.41 30.28 2nw4 h HIS 874 CO 0.06 -0.74 0.01 1.96 0.86 0.00 0.00 177.93 180.08 2nw4 h GLN 875 N -1.22 0.13 0.18 2.45 1.08 -1.38 0.12 115.11 116.47 2nw4 h GLN 875 Ca -0.11 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2nw4 h GLN 875 Cb 0.98 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 2nw4 h GLN 875 CO 0.11 0.08 -0.24 0.35 -0.95 0.00 0.00 178.83 178.18 2nw4 h PHE 876 N 0.13 -0.64 -0.35 2.96 3.04 -1.15 -0.73 116.94 120.19 2nw4 h PHE 876 Ca 0.30 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.29 2nw4 h PHE 876 Cb 0.48 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 2nw4 h PHE 876 CO -0.34 -0.35 0.15 1.15 -2.02 0.00 0.00 178.31 176.91 2nw4 h THR 877 N -0.48 0.95 -0.19 4.41 2.02 -0.40 -0.20 112.91 119.01 2nw4 h THR 877 Ca 0.01 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.12 2nw4 h THR 877 Cb 0.47 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2nw4 h THR 877 CO -0.09 0.06 -0.03 0.15 0.37 0.00 0.00 175.52 175.98 2nw4 h PHE 878 N 0.33 -0.06 -0.72 3.16 3.57 -0.47 0.12 116.94 122.87 2nw4 h PHE 878 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2nw4 h PHE 878 Cb 0.09 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2nw4 h PHE 878 CO -0.12 -0.06 0.30 -0.44 -2.23 0.00 0.00 178.31 175.76 2nw4 h ASP 879 N 0.02 0.98 -0.69 0.41 3.32 -0.97 -2.41 116.42 117.08 2nw4 h ASP 879 Ca 0.09 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.05 2nw4 h ASP 879 Cb 0.13 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 2nw4 h ASP 879 CO -0.18 0.87 0.45 0.25 -1.72 0.00 0.00 179.24 178.92 2nw4 h LEU 880 N 1.02 0.58 -0.50 1.55 5.85 -0.07 -1.79 115.31 121.96 2nw4 h LEU 880 Ca 0.24 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 2nw4 h LEU 880 Cb 0.19 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2nw4 h LEU 880 CO -0.02 0.37 -0.66 0.25 -0.34 0.00 0.00 178.44 178.04 2nw4 h LEU 881 N 0.66 0.44 0.22 2.25 5.85 -0.30 -0.16 115.31 124.27 2nw4 h LEU 881 Ca 0.30 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2nw4 h LEU 881 Cb 0.33 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2nw4 h LEU 881 CO -0.10 0.98 -0.10 0.40 -0.34 0.00 0.00 178.44 179.28 2nw4 h ILE 882 N 0.27 0.86 0.00 4.05 1.08 -1.04 -2.84 117.51 119.89 2nw4 h ILE 882 Ca -0.02 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2nw4 h ILE 882 Cb 1.21 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 2nw4 h ILE 882 CO 0.11 0.15 0.00 2.29 -0.69 0.00 0.00 178.15 180.01 2nw4 n LYS 883 N -5.06 0.88 -0.02 2.37 2.85 -0.85 -4.51 118.16 113.82 2nw4 n LYS 883 Ca -0.09 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.17 2nw4 n LYS 883 Cb 0.24 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2nw4 n LYS 883 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2nw4 n SER 884 N -1.04 -0.04 -0.06 -5.58 3.41 -0.07 0.39 113.62 110.64 2nw4 n SER 884 Ca 0.22 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.77 2nw4 n SER 884 Cb 0.12 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2nw4 n SER 884 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2nw4 h HIS 885 N 0.00 0.38 -1.36 7.33 -0.00 -1.84 -1.14 115.15 118.53 2nw4 h HIS 885 Ca 0.01 -0.10 0.39 0.00 -0.00 0.00 0.00 60.37 60.67 2nw4 h HIS 885 Cb 0.02 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 2nw4 h HIS 885 CO -0.04 0.66 0.96 0.52 -0.00 0.00 0.00 177.93 180.03 2nw4 h MET 886 N -0.01 0.05 -0.08 5.26 2.07 -0.40 -0.30 114.93 121.52 2nw4 h MET 886 Ca 0.03 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2nw4 h MET 886 Cb 0.56 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 2nw4 h MET 886 CO 0.02 0.03 0.00 1.33 1.07 0.00 0.00 176.91 179.36 2nw4 n VAL 887 N -4.22 0.32 -3.65 -2.22 0.24 -1.10 -5.03 118.33 102.67 2nw4 n VAL 887 Ca 0.31 -0.66 -0.23 0.00 -2.04 0.00 0.00 64.34 61.72 2nw4 n VAL 887 Cb 1.39 0.95 0.06 0.00 -1.47 0.00 0.00 33.84 34.77 2nw4 n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2nw4 n SER 888 N 0.34 -3.59 -4.70 -1.34 7.64 -0.12 -4.78 113.62 107.07 2nw4 n SER 888 Ca 0.05 -0.68 -0.35 0.00 1.01 0.00 0.00 58.87 58.90 2nw4 n SER 888 Cb 0.24 -4.58 -0.09 0.00 -1.01 0.00 0.00 64.21 58.78 2nw4 n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2nw4 s VAL 889 N -3.41 5.15 0.01 0.44 1.01 -0.76 -4.90 120.40 117.94 2nw4 s VAL 889 Ca 0.30 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2nw4 s VAL 889 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2nw4 s VAL 889 CO 0.77 0.46 1.06 -1.81 0.00 0.00 0.00 175.10 175.59 2nw4 s ASP 890 N 0.28 7.25 -0.14 3.32 1.01 -1.26 -4.74 116.67 122.39 2nw4 s ASP 890 Ca 0.06 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.11 2nw4 s ASP 890 Cb -0.12 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2nw4 s ASP 890 CO -0.01 -0.35 -0.13 -0.36 0.21 0.00 0.00 175.17 174.53 2nw4 s PHE 891 N 1.13 1.97 0.61 4.23 0.40 -1.26 -4.58 117.98 120.47 2nw4 s PHE 891 Ca 0.54 -1.07 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 2nw4 s PHE 891 Cb -0.24 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 2nw4 s PHE 891 CO 0.28 -0.61 1.10 -2.14 0.70 0.00 0.00 175.22 174.54 2nw4 s PRO 892 N 1.49 3.11 0.14 0.24 0.02 -1.26 -4.82 135.00 133.92 2nw4 s PRO 892 Ca 0.04 1.39 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 2nw4 s PRO 892 Cb -0.13 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 2nw4 s PRO 892 CO -0.09 -1.01 1.57 1.49 -0.33 0.00 0.00 177.00 178.63 2nw4 h GLU 893 N 0.47 -0.39 0.04 5.54 4.81 -2.00 -0.99 114.58 122.06 2nw4 h GLU 893 Ca -0.48 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2nw4 h GLU 893 Cb 1.24 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 2nw4 h GLU 893 CO 0.56 -0.26 -0.33 1.98 -0.73 0.00 0.00 179.01 180.23 2nw4 h MET 894 N -0.40 -0.42 -0.20 1.92 4.05 -2.00 -2.71 114.93 115.16 2nw4 h MET 894 Ca 0.10 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.61 2nw4 h MET 894 Cb 0.61 0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.45 2nw4 h MET 894 CO -0.52 -0.28 -0.15 1.98 0.23 0.00 0.00 176.91 178.16 2nw4 h MET 895 N -0.44 -0.15 -0.95 0.39 1.85 -1.90 -2.73 114.93 110.99 2nw4 h MET 895 Ca 0.00 0.01 0.16 0.00 -0.61 0.00 0.00 59.70 59.26 2nw4 h MET 895 Cb 0.46 0.03 -0.10 0.00 0.43 0.00 0.00 31.60 32.43 2nw4 h MET 895 CO -0.20 -0.10 0.56 0.00 -0.40 0.00 0.00 176.91 176.77 2nw4 h ALA 896 N 0.97 1.50 0.66 0.39 0.00 -1.13 -1.71 119.26 119.93 2nw4 h ALA 896 Ca 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2nw4 h ALA 896 Cb 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nw4 h ALA 896 CO -0.30 0.02 -0.39 1.49 0.00 0.00 0.00 179.25 180.07 2nw4 h GLU 897 N 0.79 -0.95 -0.60 0.00 4.81 -1.16 -1.70 114.58 115.77 2nw4 h GLU 897 Ca 0.52 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.93 2nw4 h GLU 897 Cb 0.70 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 30.20 2nw4 h GLU 897 CO -0.34 -0.63 0.04 0.82 -0.73 0.00 0.00 179.01 178.17 2nw4 h ILE 898 N -0.98 0.55 0.00 2.32 2.04 -1.41 0.30 117.51 120.33 2nw4 h ILE 898 Ca -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2nw4 h ILE 898 Cb 0.79 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2nw4 h ILE 898 CO 0.09 0.03 0.00 0.40 0.00 0.00 0.00 178.15 178.67 2nw4 h ILE 899 N 0.16 0.00 0.00 -0.67 2.04 -1.09 0.12 117.51 118.07 2nw4 h ILE 899 Ca 0.31 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2nw4 h ILE 899 Cb 0.49 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2nw4 h ILE 899 CO -0.48 0.00 -1.72 -1.54 0.00 0.00 0.00 178.15 174.41 2nw4 n SER 900 N -2.83 1.46 -0.04 1.72 3.41 0.16 -4.22 113.62 113.27 2nw4 n SER 900 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.51 2nw4 n SER 900 Cb 0.14 1.68 -0.04 0.00 -0.26 0.00 0.00 64.21 65.74 2nw4 n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2nw4 n VAL 901 N -2.06 0.50 0.00 -3.33 0.31 0.82 -4.55 118.33 110.02 2nw4 n VAL 901 Ca -0.04 -0.15 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 2nw4 n VAL 901 Cb 0.42 -1.32 -0.14 0.00 -0.91 0.00 0.00 33.84 31.89 2nw4 n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2nw4 h GLN 902 N -0.21 0.26 -0.41 5.55 1.08 -1.01 -3.35 115.11 117.02 2nw4 h GLN 902 Ca -0.22 -0.44 0.01 0.00 -1.45 0.00 0.00 58.65 56.56 2nw4 h GLN 902 Cb 1.24 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.81 2nw4 h GLN 902 CO -0.10 1.21 0.26 0.28 -0.95 0.00 0.00 178.83 179.53 2nw4 h VAL 903 N -0.08 1.08 -0.86 -0.54 2.07 -1.32 -1.99 116.25 114.61 2nw4 h VAL 903 Ca -0.39 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.05 2nw4 h VAL 903 Cb 1.94 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 2nw4 h VAL 903 CO 0.07 0.10 0.49 -0.65 0.02 0.00 0.00 177.57 177.60 2nw4 h PRO 904 N 0.53 0.78 -0.55 1.57 0.11 -1.75 0.77 132.00 133.46 2nw4 h PRO 904 Ca 0.16 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.30 2nw4 h PRO 904 Cb -0.04 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 2nw4 h PRO 904 CO -0.05 0.52 0.37 0.87 -0.21 0.00 0.00 178.00 179.50 2nw4 h LYS 905 N 0.80 0.41 0.21 1.05 1.57 -1.50 0.22 116.57 119.33 2nw4 h LYS 905 Ca 0.42 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2nw4 h LYS 905 Cb 0.42 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2nw4 h LYS 905 CO -0.27 0.27 -0.10 0.82 -0.57 0.00 0.00 179.45 179.60 2nw4 h ILE 906 N 0.42 0.65 -0.44 1.86 2.04 -0.50 -1.09 117.51 120.45 2nw4 h ILE 906 Ca 0.25 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.19 2nw4 h ILE 906 Cb 0.43 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 2nw4 h ILE 906 CO -0.07 0.17 0.05 -0.07 0.00 0.00 0.00 178.15 178.23 2nw4 h LEU 907 N -0.92 -0.08 -2.16 1.44 3.38 -0.94 -1.16 115.31 114.88 2nw4 h LEU 907 Ca -0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2nw4 h LEU 907 Cb 0.49 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2nw4 h LEU 907 CO 0.05 -0.01 -0.01 0.77 0.09 0.00 0.00 178.44 179.33 2nw4 h SER 908 N 0.17 0.00 0.00 -0.43 4.64 -1.09 -3.46 113.55 113.38 2nw4 h SER 908 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2nw4 h SER 908 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2nw4 h SER 908 CO -0.32 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.26 2nw4 n GLY 909 N -1.42 1.53 0.25 -0.77 0.00 -0.44 -5.00 105.19 99.35 2nw4 n GLY 909 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 2nw4 n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nw4 h LYS 910 N 0.13 0.41 -6.17 1.61 1.57 -1.40 -3.39 116.57 109.32 2nw4 h LYS 910 Ca 0.00 -0.02 -0.69 0.00 -1.87 0.00 0.00 60.65 58.07 2nw4 h LYS 910 Cb 0.00 -0.09 -0.28 0.00 0.08 0.00 0.00 32.23 31.94 2nw4 h LYS 910 CO 0.00 0.27 -0.83 0.54 -0.57 0.00 0.00 179.45 178.86 2nw4 s VAL 911 N -6.08 2.50 0.07 0.50 0.11 -0.85 -0.92 120.40 115.73 2nw4 s VAL 911 Ca -0.13 -0.92 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 2nw4 s VAL 911 Cb 0.18 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2nw4 s VAL 911 CO 0.75 0.57 -0.13 -1.59 -3.33 0.00 0.00 175.10 171.37 2nw4 s LYS 912 N -0.39 0.77 1.11 1.54 0.00 -0.95 -4.41 119.74 117.41 2nw4 s LYS 912 Ca 0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 55.97 54.94 2nw4 s LYS 912 Cb -0.12 -0.74 0.25 0.00 0.00 0.00 0.00 37.83 37.22 2nw4 s LYS 912 CO 0.02 0.16 1.07 -1.25 0.00 0.00 0.00 175.35 175.35 2nw4 s PRO 913 N -1.72 -0.50 -0.30 1.78 0.04 -1.26 -2.57 135.00 130.47 2nw4 s PRO 913 Ca -0.03 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2nw4 s PRO 913 Cb -0.10 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.87 2nw4 s PRO 913 CO 0.02 -3.34 -0.02 0.42 0.04 0.00 0.00 177.00 174.12 2nw4 s ILE 914 N -2.81 2.68 -0.16 0.56 1.01 0.13 -4.82 121.20 117.79 2nw4 s ILE 914 Ca 0.67 -1.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2nw4 s ILE 914 Cb -0.18 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 2nw4 s ILE 914 CO 0.59 -0.16 0.10 -0.31 0.00 0.00 0.00 174.94 175.16 2nw4 s TYR 915 N 1.17 3.40 0.30 3.97 2.02 -1.26 -4.90 117.35 122.04 2nw4 s TYR 915 Ca -0.04 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 57.00 2nw4 s TYR 915 Cb -0.20 -2.05 0.47 0.00 -0.40 0.00 0.00 41.96 39.78 2nw4 s TYR 915 CO -0.03 0.39 1.74 0.74 -1.57 0.00 0.00 175.55 176.81 2nw4 h PHE 916 N 6.11 0.41 -1.89 2.71 0.04 -1.99 -3.45 116.94 118.89 2nw4 h PHE 916 Ca -0.44 -0.09 -0.54 0.00 2.80 0.00 0.00 57.97 59.69 2nw4 h PHE 916 Cb 1.18 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 39.15 2nw4 h PHE 916 CO 0.63 0.63 -0.54 -1.01 -0.60 0.00 0.00 178.31 177.42 2nw4 s HIS 917 N -4.40 2.72 0.00 -0.55 3.76 -1.26 -5.14 115.29 110.41 2nw4 s HIS 917 Ca -0.06 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2nw4 s HIS 917 Cb 0.14 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.19 2nw4 s HIS 917 CO 0.78 0.34 0.00 0.25 -0.85 0.00 0.00 174.74 175.26