#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwc n MET 1 N 0.00 1.92 0.03 4.33 0.00 -1.26 -4.65 117.12 117.48 3dwc n MET 1 Ca 0.00 -1.38 -0.11 0.00 -0.00 0.00 0.00 57.70 56.20 3dwc n MET 1 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 3dwc n MET 1 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3dwc h LYS 2 N 2.79 0.01 -0.81 2.12 3.64 -1.99 -2.32 116.57 120.01 3dwc h LYS 2 Ca 0.00 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3dwc h LYS 2 Cb 0.61 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3dwc h LYS 2 CO 0.00 0.00 0.49 -1.00 -2.27 0.00 0.00 179.45 176.67 3dwc h PRO 3 N 0.01 0.87 -0.27 1.90 0.13 -1.90 -1.73 132.00 131.00 3dwc h PRO 3 Ca 0.01 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3dwc h PRO 3 Cb 0.02 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 30.92 3dwc h PRO 3 CO -0.03 0.57 0.08 -0.92 -0.23 0.00 0.00 178.00 177.47 3dwc h TYR 4 N 0.89 0.14 0.00 1.56 3.20 -1.75 -1.39 116.97 119.63 3dwc h TYR 4 Ca 0.35 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 3dwc h TYR 4 Cb 0.17 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3dwc h TYR 4 CO -0.04 0.05 -0.39 0.87 -1.64 0.00 0.00 178.16 177.01 3dwc h LYS 5 N 0.19 0.00 -0.56 1.82 1.79 -1.17 -1.32 116.57 117.32 3dwc h LYS 5 Ca 0.12 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 3dwc h LYS 5 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3dwc h LYS 5 CO -0.14 0.39 0.02 1.49 -1.08 0.00 0.00 179.45 180.13 3dwc h GLU 6 N 0.00 0.98 -0.76 3.15 4.57 -1.04 -2.56 114.58 118.92 3dwc h GLU 6 Ca -0.00 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 3dwc h GLU 6 Cb 0.74 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 3dwc h GLU 6 CO 0.05 0.98 0.49 -0.07 -1.18 0.00 0.00 179.01 179.28 3dwc h LEU 7 N 0.87 0.83 -1.14 1.64 3.38 -0.38 -1.33 115.31 119.18 3dwc h LEU 7 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3dwc h LEU 7 Cb 0.52 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3dwc h LEU 7 CO 0.03 0.58 0.59 -0.33 0.09 0.00 0.00 178.44 179.40 3dwc h GLU 8 N 0.98 1.16 -0.48 1.13 5.08 -1.13 0.55 114.58 121.86 3dwc h GLU 8 Ca 0.29 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3dwc h GLU 8 Cb -0.04 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 3dwc h GLU 8 CO -0.09 0.76 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.46 3dwc h ARG 9 N 1.19 0.94 -0.13 2.33 2.43 -1.06 -0.59 114.38 119.50 3dwc h ARG 9 Ca 0.33 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dwc h ARG 9 Cb -0.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3dwc h ARG 9 CO -0.07 1.03 0.06 0.28 -1.51 0.00 0.00 179.97 179.76 3dwc h VAL 10 N 0.80 1.12 -0.10 0.20 2.07 -0.37 -2.51 116.25 117.46 3dwc h VAL 10 Ca 0.12 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3dwc h VAL 10 Cb 0.70 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3dwc h VAL 10 CO 0.05 0.11 -0.29 -0.26 0.02 0.00 0.00 177.57 177.20 3dwc h PHE 11 N 0.08 0.21 -0.89 1.57 -1.00 -0.90 -1.99 116.94 114.02 3dwc h PHE 11 Ca 0.04 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3dwc h PHE 11 Cb 0.11 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 3dwc h PHE 11 CO -0.03 0.46 0.50 1.15 -1.61 0.00 0.00 178.31 178.78 3dwc h THR 12 N 0.17 1.26 -0.07 -1.55 2.02 -0.94 -0.78 112.91 113.02 3dwc h THR 12 Ca 0.03 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3dwc h THR 12 Cb 0.60 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3dwc h THR 12 CO 0.04 0.28 0.04 0.50 0.37 0.00 0.00 175.52 176.76 3dwc h LYS 13 N 1.24 0.09 -0.64 6.66 3.64 -0.95 -2.17 116.57 124.46 3dwc h LYS 13 Ca 0.32 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 3dwc h LYS 13 Cb 0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3dwc h LYS 13 CO -0.05 0.10 0.42 -0.07 -2.27 0.00 0.00 179.45 177.58 3dwc h LEU 14 N 0.06 0.55 -0.72 5.20 3.38 -1.18 -1.25 115.31 121.36 3dwc h LEU 14 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3dwc h LEU 14 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dwc h LEU 14 CO -0.00 0.36 0.14 0.22 0.09 0.00 0.00 178.44 179.24 3dwc h TYR 15 N 0.63 1.18 -0.36 1.13 3.20 -0.74 -0.15 116.97 121.86 3dwc h TYR 15 Ca 0.28 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 3dwc h TYR 15 Cb 0.28 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3dwc h TYR 15 CO -0.00 0.97 -0.24 0.00 -1.64 0.00 0.00 178.16 177.25 3dwc h ARG 16 N 1.05 0.80 -0.47 1.82 2.47 -0.72 -1.25 114.38 118.08 3dwc h ARG 16 Ca 0.21 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.52 3dwc h ARG 16 Cb 0.41 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 3dwc h ARG 16 CO 0.01 1.01 0.16 1.88 0.56 0.00 0.00 179.97 183.59 3dwc h TYR 17 N 0.60 0.75 -0.83 3.04 0.05 -1.13 -2.80 116.97 116.64 3dwc h TYR 17 Ca 0.07 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3dwc h TYR 17 Cb 0.80 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 3dwc h TYR 17 CO 0.06 0.66 0.55 0.78 -1.05 0.00 0.00 178.16 179.16 3dwc h GLY 18 N 0.63 1.17 -0.12 3.88 0.00 -0.80 -1.63 103.07 106.20 3dwc h GLY 18 Ca 0.15 -0.43 0.18 0.00 0.00 0.00 0.00 47.33 47.23 3dwc h GLY 18 CO -0.01 0.42 0.25 0.84 0.00 0.00 0.00 176.54 178.04 3dwc h HIS 19 N 1.12 0.40 -0.43 5.60 -0.00 -0.96 0.20 115.15 121.07 3dwc h HIS 19 Ca 0.31 0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.60 3dwc h HIS 19 Cb -0.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3dwc h HIS 19 CO -0.00 -0.07 -0.19 0.52 -0.00 0.00 0.00 177.93 178.19 3dwc h MET 20 N 0.32 0.89 -0.36 5.26 2.07 -1.23 -2.22 114.93 119.65 3dwc h MET 20 Ca 0.46 -0.38 -0.12 0.00 -2.07 0.00 0.00 59.70 57.59 3dwc h MET 20 Cb 0.82 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.51 3dwc h MET 20 CO -0.52 1.03 -0.27 -0.07 1.07 0.00 0.00 176.91 178.15 3dwc h LEU 21 N 0.72 0.77 -0.59 1.22 3.38 -0.76 -1.84 115.31 118.21 3dwc h LEU 21 Ca 0.10 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3dwc h LEU 21 Cb 0.75 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3dwc h LEU 21 CO 0.06 1.00 -0.01 -0.07 0.09 0.00 0.00 178.44 179.51 3dwc h LEU 22 N 0.65 1.03 -0.18 1.67 3.38 -0.65 0.15 115.31 121.36 3dwc h LEU 22 Ca 0.08 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3dwc h LEU 22 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dwc h LEU 22 CO 0.07 1.09 0.01 0.25 0.09 0.00 0.00 178.44 179.94 3dwc h LEU 23 N 0.94 0.30 -0.44 1.67 5.85 -1.34 -0.55 115.31 121.74 3dwc h LEU 23 Ca 0.17 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3dwc h LEU 23 Cb 0.57 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3dwc h LEU 23 CO 0.03 0.52 0.29 0.00 -0.34 0.00 0.00 178.44 178.95 3dwc h ALA 24 N 0.79 0.56 0.08 1.25 0.00 -1.12 0.85 119.26 121.66 3dwc h ALA 24 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dwc h ALA 24 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dwc h ALA 24 CO 0.01 0.01 -0.04 0.22 0.00 0.00 0.00 179.25 179.45 3dwc h ASP 25 N 0.60 -0.09 -0.73 0.00 3.58 -0.66 -1.70 116.42 117.42 3dwc h ASP 25 Ca 0.16 -0.10 0.16 0.00 0.42 0.00 0.00 57.03 57.67 3dwc h ASP 25 Cb -0.07 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 40.89 3dwc h ASP 25 CO -0.03 0.05 0.15 -0.25 -2.88 0.00 0.00 179.24 176.28 3dwc h TRP 26 N -0.22 0.23 -0.26 0.28 7.01 -0.49 -2.60 115.95 119.89 3dwc h TRP 26 Ca -0.01 0.04 -0.16 0.00 2.11 0.00 0.00 58.89 60.87 3dwc h TRP 26 Cb 0.19 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 3dwc h TRP 26 CO -0.03 -0.10 -0.49 0.22 -2.79 0.00 0.00 178.44 175.24 3dwc h ASP 27 N 0.25 0.78 -0.77 2.65 3.58 -0.66 -2.83 116.42 119.41 3dwc h ASP 27 Ca 0.41 -0.39 0.17 0.00 0.42 0.00 0.00 57.03 57.64 3dwc h ASP 27 Cb 0.70 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 3dwc h ASP 27 CO -0.52 1.13 0.52 0.77 -2.88 0.00 0.00 179.24 178.26 3dwc h SER 28 N 0.56 0.32 0.70 2.28 4.64 -0.91 0.19 113.55 121.33 3dwc h SER 28 Ca 0.03 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dwc h SER 28 Cb 1.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3dwc h SER 28 CO 0.10 0.15 -0.96 1.41 -0.87 0.00 0.00 176.83 176.67 3dwc n HIS 29 N -4.46 0.55 0.01 4.77 8.25 -1.10 -4.38 115.22 118.86 3dwc n HIS 29 Ca 0.15 0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.75 3dwc n HIS 29 Cb 0.61 -0.66 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 3dwc n HIS 29 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dwc n THR 30 N -2.24 0.81 -0.08 1.59 -2.24 -0.75 -4.40 114.28 106.98 3dwc n THR 30 Ca 0.01 0.19 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 3dwc n THR 30 Cb 0.48 -1.63 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 3dwc n THR 30 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3dwc n MET 31 N -3.42 1.12 -1.94 -0.78 2.00 0.53 -4.98 117.12 109.65 3dwc n MET 31 Ca -0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 57.70 57.21 3dwc n MET 31 Cb 0.27 -1.44 -0.03 0.00 0.00 0.00 0.00 33.22 32.02 3dwc n MET 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3dwc s MET 32 N -2.52 4.21 0.00 0.03 1.75 -0.41 -5.04 119.30 117.32 3dwc s MET 32 Ca -0.08 2.33 0.00 0.00 -1.25 0.00 0.00 55.69 56.69 3dwc s MET 32 Cb 0.06 -3.41 0.00 0.00 2.84 0.00 0.00 34.83 34.32 3dwc s MET 32 CO 0.71 -0.67 0.00 -0.35 -0.65 0.00 0.00 175.02 174.06 3dwc n PRO 33 N 4.89 1.83 0.00 4.11 -0.04 -1.26 -4.94 135.00 139.59 3dwc n PRO 33 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3dwc n PRO 33 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 3dwc n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dwc n LYS 35 N 0.00 0.00 0.00 0.54 5.02 -1.26 -4.00 118.16 118.46 3dwc n LYS 35 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3dwc n LYS 35 Cb 0.00 0.00 0.67 0.00 -0.02 0.00 0.00 35.03 35.68 3dwc n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwc n GLY 36 N 0.00 -1.09 0.13 0.72 0.00 -1.26 -4.35 105.19 99.33 3dwc n GLY 36 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3dwc n GLY 36 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3dwc h SER 37 N 0.00 0.30 -0.48 1.61 0.87 -1.97 -1.77 113.55 112.11 3dwc h SER 37 Ca 0.00 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 3dwc h SER 37 Cb 0.21 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3dwc h SER 37 CO 0.00 0.36 0.02 0.44 -0.53 0.00 0.00 176.83 177.13 3dwc h ASP 38 N 0.22 0.81 -0.59 6.23 3.32 -1.97 -0.90 116.42 123.55 3dwc h ASP 38 Ca 0.08 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3dwc h ASP 38 Cb 0.15 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3dwc h ASP 38 CO -0.01 0.91 0.25 0.00 -1.72 0.00 0.00 179.24 178.67 3dwc h ALA 39 N 0.94 0.76 -0.33 3.45 0.00 -1.83 -1.35 119.26 120.90 3dwc h ALA 39 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dwc h ALA 39 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dwc h ALA 39 CO 0.02 0.36 0.13 -0.09 0.00 0.00 0.00 179.25 179.67 3dwc h ARG 40 N 0.81 0.49 -0.49 0.00 9.65 -1.18 -2.25 114.38 121.41 3dwc h ARG 40 Ca 0.20 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3dwc h ARG 40 Cb 0.18 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3dwc h ARG 40 CO -0.02 0.50 0.17 0.78 2.80 0.00 0.00 179.97 184.20 3dwc h GLY 41 N 0.39 0.81 1.88 2.80 0.00 -1.03 -1.35 103.07 106.57 3dwc h GLY 41 Ca 0.11 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3dwc h GLY 41 CO -0.01 0.43 -0.26 0.00 0.00 0.00 0.00 176.54 176.71 3dwc h ALA 42 N 1.02 1.42 -0.05 3.60 0.00 -1.17 -1.61 119.26 122.48 3dwc h ALA 42 Ca 0.16 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3dwc h ALA 42 Cb 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dwc h ALA 42 CO -0.01 0.41 -0.60 0.00 0.00 0.00 0.00 179.25 179.06 3dwc h ALA 43 N 1.61 0.13 -0.84 0.00 0.00 -1.12 -2.25 119.26 116.80 3dwc h ALA 43 Ca 0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3dwc h ALA 43 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3dwc h ALA 43 CO 0.04 0.39 0.39 0.52 0.00 0.00 0.00 179.25 180.59 3dwc h MET 44 N 0.04 1.22 -0.50 0.00 2.86 -1.12 -1.94 114.93 115.49 3dwc h MET 44 Ca -0.06 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 3dwc h MET 44 Cb 1.27 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3dwc h MET 44 CO 0.12 0.95 0.02 0.00 1.06 0.00 0.00 176.91 179.07 3dwc h ALA 45 N 1.21 0.67 -0.68 6.32 0.00 -1.24 -1.25 119.26 124.29 3dwc h ALA 45 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3dwc h ALA 45 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dwc h ALA 45 CO -0.03 0.45 0.29 1.49 0.00 0.00 0.00 179.25 181.45 3dwc h GLU 46 N 0.72 1.01 -0.34 0.00 4.57 -1.19 -1.96 114.58 117.41 3dwc h GLU 46 Ca 0.14 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 3dwc h GLU 46 Cb 0.48 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3dwc h GLU 46 CO 0.02 0.83 -0.09 1.25 -1.18 0.00 0.00 179.01 179.84 3dwc h LEU 47 N 0.97 0.66 -0.75 1.64 6.46 -1.25 -1.94 115.31 121.10 3dwc h LEU 47 Ca 0.23 -0.37 0.08 0.00 -0.12 0.00 0.00 57.88 57.70 3dwc h LEU 47 Cb 0.18 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 3dwc h LEU 47 CO -0.02 0.88 0.42 1.56 -0.62 0.00 0.00 178.44 180.65 3dwc h GLN 48 N 0.44 0.72 -0.53 1.25 4.20 -1.11 -0.77 115.11 119.30 3dwc h GLN 48 Ca 0.08 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.78 3dwc h GLN 48 Cb 0.59 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3dwc h GLN 48 CO 0.03 0.47 0.31 1.25 -0.67 0.00 0.00 178.83 180.23 3dwc h LEU 49 N 0.74 0.49 -0.70 1.46 6.46 -1.15 0.79 115.31 123.40 3dwc h LEU 49 Ca 0.35 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 58.08 3dwc h LEU 49 Cb 0.27 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 3dwc h LEU 49 CO -0.22 0.34 0.27 -0.74 -0.62 0.00 0.00 178.44 177.48 3dwc h HIS 50 N 0.61 1.07 -0.80 1.25 2.76 -0.69 0.93 115.15 120.27 3dwc h HIS 50 Ca 0.22 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3dwc h HIS 50 Cb 0.05 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 3dwc h HIS 50 CO -0.07 0.83 0.43 0.52 -1.30 0.00 0.00 177.93 178.33 3dwc h MET 51 N 1.00 1.11 -0.14 5.26 2.86 -0.60 -0.92 114.93 123.50 3dwc h MET 51 Ca 0.23 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3dwc h MET 51 Cb 0.22 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3dwc h MET 51 CO -0.02 0.83 0.03 1.25 1.06 0.00 0.00 176.91 180.06 3dwc h HIS 52 N 1.11 0.24 -0.68 -0.22 6.17 -0.43 -1.68 115.15 119.64 3dwc h HIS 52 Ca 0.28 -0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.35 3dwc h HIS 52 Cb 0.04 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 29.87 3dwc h HIS 52 CO 0.00 0.39 0.45 -0.44 0.71 0.00 0.00 177.93 179.04 3dwc h ASP 53 N 0.01 0.74 -0.10 3.26 3.45 -0.67 -1.94 116.42 121.18 3dwc h ASP 53 Ca 0.04 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 3dwc h ASP 53 Cb 0.27 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3dwc h ASP 53 CO 0.00 0.53 -0.01 0.74 -1.57 0.00 0.00 179.24 178.93 3dwc h THR 54 N 0.87 1.27 0.00 0.35 2.02 -0.86 -2.42 112.91 114.14 3dwc h THR 54 Ca 0.26 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 3dwc h THR 54 Cb -0.02 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3dwc h THR 54 CO -0.07 0.24 -0.49 -0.29 0.37 0.00 0.00 175.52 175.29 3dwc h ILE 55 N -0.12 0.98 -0.33 3.11 2.10 -1.16 -3.09 117.51 119.00 3dwc h ILE 55 Ca 0.03 -1.95 0.00 0.00 1.08 0.00 0.00 64.86 64.02 3dwc h ILE 55 Cb 0.38 2.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 3dwc h ILE 55 CO 0.01 0.48 0.00 0.35 -1.08 0.00 0.00 178.15 177.90 3dwc n THR 56 N -3.43 0.43 -1.73 2.19 -2.24 -0.74 -4.80 114.28 103.95 3dwc n THR 56 Ca 0.00 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 3dwc n THR 56 Cb 0.62 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 3dwc n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwc n ALA 57 N 1.08 1.61 -0.27 6.98 0.00 -0.91 -4.87 120.51 124.13 3dwc n ALA 57 Ca 0.18 0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.97 3dwc n ALA 57 Cb 0.50 -2.33 0.37 0.00 0.00 0.00 0.00 19.45 18.00 3dwc n ALA 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dwc h PRO 58 N 2.05 0.69 -1.04 0.00 0.11 -1.93 -1.75 132.00 130.14 3dwc h PRO 58 Ca -0.49 -0.04 0.35 0.00 0.11 0.00 0.00 66.00 65.92 3dwc h PRO 58 Cb 1.29 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 3dwc h PRO 58 CO 0.60 0.46 0.60 -0.22 -0.21 0.00 0.00 178.00 179.22 3dwc h LYS 59 N 0.71 0.25 -0.39 1.05 3.64 -1.97 -2.77 116.57 117.09 3dwc h LYS 59 Ca 0.44 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.75 3dwc h LYS 59 Cb 0.67 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3dwc h LYS 59 CO -0.20 0.17 0.05 0.82 -2.27 0.00 0.00 179.45 178.02 3dwc h ILE 60 N 0.26 1.25 0.06 2.00 1.08 -1.62 -1.01 117.51 119.52 3dwc h ILE 60 Ca 0.75 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3dwc h ILE 60 Cb 1.84 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 3dwc h ILE 60 CO -0.60 0.30 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.01 3dwc h ARG 61 N 0.50 -0.14 -0.47 2.37 2.43 -1.65 -0.61 114.38 116.81 3dwc h ARG 61 Ca 0.12 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3dwc h ARG 61 Cb 0.39 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 3dwc h ARG 61 CO 0.01 -0.09 0.09 0.00 -1.51 0.00 0.00 179.97 178.47 3dwc h ALA 62 N 0.79 0.52 -0.39 2.80 0.00 -1.46 -1.59 119.26 119.93 3dwc h ALA 62 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dwc h ALA 62 Cb 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3dwc h ALA 62 CO -0.03 -0.31 0.25 -0.07 0.00 0.00 0.00 179.25 179.09 3dwc h LEU 63 N 0.23 0.46 -0.38 0.00 3.38 -1.00 -1.34 115.31 116.65 3dwc h LEU 63 Ca 0.23 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3dwc h LEU 63 Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3dwc h LEU 63 CO -0.31 0.35 0.19 0.40 0.09 0.00 0.00 178.44 179.16 3dwc h ILE 64 N 0.53 0.97 -0.52 1.22 2.04 -0.71 -1.06 117.51 119.98 3dwc h ILE 64 Ca 0.14 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 3dwc h ILE 64 Cb -0.04 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3dwc h ILE 64 CO -0.03 0.07 -0.15 -0.33 0.00 0.00 0.00 178.15 177.71 3dwc h GLU 65 N 0.38 1.02 0.05 2.37 5.08 -1.07 -0.69 114.58 121.71 3dwc h GLU 65 Ca 0.16 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3dwc h GLU 65 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3dwc h GLU 65 CO -0.12 1.08 -0.11 0.93 -1.00 0.00 0.00 179.01 179.80 3dwc h GLU 66 N 0.89 -0.20 -0.14 2.33 4.39 -1.19 -2.45 114.58 118.21 3dwc h GLU 66 Ca 0.13 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 3dwc h GLU 66 Cb 0.72 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3dwc h GLU 66 CO 0.06 -0.13 -0.03 0.00 -1.16 0.00 0.00 179.01 177.74 3dwc h ALA 67 N 0.73 1.69 0.00 3.43 0.00 -0.91 -2.99 119.26 121.21 3dwc h ALA 67 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3dwc h ALA 67 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dwc h ALA 67 CO -0.07 0.23 -0.57 0.93 0.00 0.00 0.00 179.25 179.77 3dwc h GLU 68 N 0.20 0.00 0.00 0.00 5.08 -0.90 -3.16 114.58 115.81 3dwc h GLU 68 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dwc h GLU 68 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dwc h GLU 68 CO 0.01 0.40 0.00 0.36 -1.00 0.00 0.00 179.01 178.78 3dwc n LYS 69 N -3.15 0.07 -0.97 2.33 2.85 -0.94 -3.14 118.16 115.20 3dwc n LYS 69 Ca 0.01 0.20 0.01 0.00 -1.05 0.00 0.00 58.31 57.49 3dwc n LYS 69 Cb 0.72 -1.60 0.16 0.00 -0.65 0.00 0.00 35.03 33.65 3dwc n LYS 69 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3dwc n SER 70 N -1.72 2.09 -0.30 -5.58 3.41 -1.19 -4.87 113.62 105.46 3dwc n SER 70 Ca 0.04 -3.61 0.13 0.00 -0.26 0.00 0.00 58.87 55.18 3dwc n SER 70 Cb 0.26 -0.47 0.37 0.00 -0.26 0.00 0.00 64.21 64.11 3dwc n SER 70 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3dwc h VAL 71 N 2.02 0.78 0.00 -3.33 2.07 -1.56 0.62 116.25 116.84 3dwc h VAL 71 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dwc h VAL 71 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3dwc h VAL 71 CO 0.13 0.13 0.00 1.23 0.02 0.00 0.00 177.57 179.07 3dwc h GLY 72 N 0.69 0.00 2.00 2.17 0.00 -1.89 0.71 103.07 106.75 3dwc h GLY 72 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3dwc h GLY 72 CO -0.25 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.74 3dwc h ASP 73 N 0.00 0.00 -3.57 0.19 5.19 -1.27 -3.46 116.42 113.50 3dwc h ASP 73 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 3dwc h ASP 73 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3dwc h ASP 73 CO 0.00 0.00 0.05 -0.76 -3.12 0.00 0.00 179.24 175.41 3dwc s LEU 74 N -5.14 3.89 0.63 1.55 1.43 0.24 -5.03 118.68 116.25 3dwc s LEU 74 Ca 0.04 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 3dwc s LEU 74 Cb 0.09 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 3dwc s LEU 74 CO 0.49 -0.35 1.05 -1.61 0.23 0.00 0.00 176.35 176.16 3dwc s GLU 75 N -3.77 3.24 0.19 1.70 2.02 -1.26 -4.81 118.70 115.99 3dwc s GLU 75 Ca 0.49 1.05 -0.19 0.00 0.02 0.00 0.00 54.97 56.34 3dwc s GLU 75 Cb -0.10 -2.03 0.14 0.00 0.10 0.00 0.00 34.13 32.24 3dwc s GLU 75 CO 0.31 -0.87 1.60 -0.22 0.02 0.00 0.00 175.26 176.10 3dwc h LYS 76 N -0.05 -0.14 0.00 1.61 3.64 -1.97 0.16 116.57 119.82 3dwc h LYS 76 Ca -0.45 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 3dwc h LYS 76 Cb 1.21 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3dwc h LYS 76 CO 0.58 -0.09 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.30 3dwc h LEU 77 N -0.14 0.00 -0.42 5.20 3.38 -1.96 -2.20 115.31 119.16 3dwc h LEU 77 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3dwc h LEU 77 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dwc h LEU 77 CO -0.63 0.29 -0.07 1.56 0.09 0.00 0.00 178.44 179.68 3dwc h GLN 78 N 0.00 0.80 -0.76 1.13 4.20 -1.37 -0.01 115.11 119.11 3dwc h GLN 78 Ca -0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 3dwc h GLN 78 Cb 0.61 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3dwc h GLN 78 CO 0.04 0.91 0.46 0.00 -0.67 0.00 0.00 178.83 179.56 3dwc h ARG 79 N 0.62 1.02 -0.45 1.46 3.08 -0.77 0.29 114.38 119.64 3dwc h ARG 79 Ca 0.11 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3dwc h ARG 79 Cb 0.59 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3dwc h ARG 79 CO 0.04 0.72 0.20 0.00 -1.07 0.00 0.00 179.97 179.85 3dwc h ALA 80 N 1.25 0.58 -0.80 0.04 0.00 -1.36 -1.21 119.26 117.75 3dwc h ALA 80 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dwc h ALA 80 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3dwc h ALA 80 CO -0.05 0.16 0.45 -0.97 0.00 0.00 0.00 179.25 178.84 3dwc h ASN 81 N 0.58 1.00 -0.84 0.00 -1.24 -0.44 -1.02 115.58 113.62 3dwc h ASN 81 Ca 0.15 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 3dwc h ASN 81 Cb 0.15 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 3dwc h ASN 81 CO -0.02 0.80 0.45 0.25 -1.29 0.00 0.00 177.43 177.63 3dwc h LEU 82 N 1.11 1.06 -0.54 0.34 5.85 -0.07 0.11 115.31 123.18 3dwc h LEU 82 Ca 0.28 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3dwc h LEU 82 Cb 0.02 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3dwc h LEU 82 CO -0.05 0.86 0.28 -0.09 -0.34 0.00 0.00 178.44 179.11 3dwc h ARG 83 N 1.18 0.53 -0.05 1.25 2.43 -0.83 -0.99 114.38 117.89 3dwc h ARG 83 Ca 0.30 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3dwc h ARG 83 Cb 0.04 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3dwc h ARG 83 CO -0.05 0.35 -0.52 0.93 -1.51 0.00 0.00 179.97 179.18 3dwc h GLU 84 N 0.54 0.14 0.08 0.20 4.39 -0.37 -1.79 114.58 117.77 3dwc h GLU 84 Ca 0.24 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3dwc h GLU 84 Cb 0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3dwc h GLU 84 CO -0.16 0.63 -0.04 0.52 -1.16 0.00 0.00 179.01 178.80 3dwc h MET 85 N 0.11 -0.11 -0.62 2.33 2.86 -0.48 -1.36 114.93 117.66 3dwc h MET 85 Ca 0.00 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3dwc h MET 85 Cb 0.95 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.56 3dwc h MET 85 CO 0.07 -0.00 0.20 -0.09 1.06 0.00 0.00 176.91 178.15 3dwc h ARG 86 N -0.19 0.34 0.18 1.72 2.43 -1.05 0.02 114.38 117.83 3dwc h ARG 86 Ca -0.01 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dwc h ARG 86 Cb 0.16 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3dwc h ARG 86 CO 0.02 0.23 -0.14 -0.09 -1.51 0.00 0.00 179.97 178.47 3dwc h ARG 87 N 0.35 -0.33 -0.78 0.20 2.43 -1.12 0.13 114.38 115.28 3dwc h ARG 87 Ca 0.32 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.58 3dwc h ARG 87 Cb 0.44 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3dwc h ARG 87 CO -0.35 -0.22 0.46 0.00 -1.51 0.00 0.00 179.97 178.35 3dwc h ALA 88 N 0.46 1.07 -0.29 2.80 0.00 -1.06 -1.45 119.26 120.79 3dwc h ALA 88 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dwc h ALA 88 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dwc h ALA 88 CO -0.01 0.14 0.14 2.35 0.00 0.00 0.00 179.25 181.87 3dwc h TRP 89 N 0.81 0.42 -0.70 0.00 7.01 -0.49 -3.00 115.95 120.01 3dwc h TRP 89 Ca 0.35 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 3dwc h TRP 89 Cb 0.23 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3dwc h TRP 89 CO -0.06 0.38 0.40 0.93 -2.79 0.00 0.00 178.44 177.29 3dwc h GLU 90 N 0.34 0.96 0.00 2.65 5.08 -0.36 0.66 114.58 123.92 3dwc h GLU 90 Ca 0.10 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3dwc h GLU 90 Cb 0.11 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3dwc h GLU 90 CO -0.01 0.71 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.57 3dwc h LEU 91 N 0.95 0.00 0.00 1.33 3.38 -1.17 -2.05 115.31 117.76 3dwc h LEU 91 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3dwc h LEU 91 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3dwc h LEU 91 CO -0.04 0.06 -1.65 -0.62 0.09 0.00 0.00 178.44 176.28 3dwc n GLU 92 N -4.46 0.64 -0.03 1.13 -0.58 -1.01 -4.61 120.64 111.72 3dwc n GLU 92 Ca -0.03 0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.79 3dwc n GLU 92 Cb 0.15 -1.67 -0.16 0.00 -0.57 0.00 0.00 31.44 29.19 3dwc n GLU 92 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3dwc n ASN 93 N -2.58 0.32 0.24 1.62 5.15 0.19 -4.33 115.26 115.87 3dwc n ASN 93 Ca -0.08 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.05 3dwc n ASN 93 Cb 0.71 1.75 0.56 0.00 -0.53 0.00 0.00 39.78 42.27 3dwc n ASN 93 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3dwc h LEU 94 N 0.00 0.00 -8.84 1.20 4.07 -1.60 -3.42 115.31 106.72 3dwc h LEU 94 Ca -0.10 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.22 3dwc h LEU 94 Cb 1.17 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.74 3dwc h LEU 94 CO 0.01 0.00 -0.36 -0.76 -1.08 0.00 0.00 178.44 176.25 3dwc s LEU 95 N -5.92 4.21 0.53 1.67 1.43 -1.26 -4.76 118.68 114.58 3dwc s LEU 95 Ca 0.03 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 3dwc s LEU 95 Cb 0.08 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3dwc s LEU 95 CO 0.55 -0.20 1.32 -2.84 0.23 0.00 0.00 176.35 175.41 3dwc s PRO 96 N 1.93 3.27 0.52 1.29 0.02 -1.26 -4.73 135.00 136.04 3dwc s PRO 96 Ca 0.11 2.15 0.22 0.00 0.02 0.00 0.00 61.00 63.50 3dwc s PRO 96 Cb -0.16 -2.29 1.34 0.00 0.02 0.00 0.00 34.50 33.41 3dwc s PRO 96 CO 0.11 -1.06 2.03 0.93 -0.33 0.00 0.00 177.00 178.68 3dwc h GLU 97 N 1.59 0.03 -0.33 5.54 5.08 -1.96 0.10 114.58 124.62 3dwc h GLU 97 Ca -0.51 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3dwc h GLU 97 Cb 1.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3dwc h GLU 97 CO 0.58 0.02 0.14 1.49 -1.00 0.00 0.00 179.01 180.23 3dwc h GLU 98 N 0.03 0.49 -0.73 2.33 4.22 -2.00 -1.76 114.58 117.15 3dwc h GLU 98 Ca 0.19 -0.09 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 3dwc h GLU 98 Cb 0.73 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3dwc h GLU 98 CO -0.01 0.48 0.24 0.35 -2.18 0.00 0.00 179.01 177.89 3dwc h PHE 99 N 0.39 1.16 0.08 0.92 3.57 -1.21 -2.41 116.94 119.44 3dwc h PHE 99 Ca 0.11 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dwc h PHE 99 Cb 0.17 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3dwc h PHE 99 CO -0.01 0.92 -0.06 0.28 -2.23 0.00 0.00 178.31 177.21 3dwc h VAL 100 N 1.07 0.86 -0.16 1.41 2.07 -0.89 -0.67 116.25 119.94 3dwc h VAL 100 Ca 0.24 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.62 3dwc h VAL 100 Cb 0.29 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3dwc h VAL 100 CO -0.01 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.77 3dwc h GLU 101 N -0.15 0.41 -0.71 1.57 5.08 -1.37 -2.12 114.58 117.29 3dwc h GLU 101 Ca -0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3dwc h GLU 101 Cb 0.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3dwc h GLU 101 CO -0.01 0.81 0.38 -0.09 -1.00 0.00 0.00 179.01 179.09 3dwc h ARG 102 N 0.33 0.99 -0.07 2.33 2.43 -1.29 -0.48 114.38 118.62 3dwc h ARG 102 Ca 0.02 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3dwc h ARG 102 Cb 0.97 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3dwc h ARG 102 CO 0.08 0.74 0.01 -0.22 -1.51 0.00 0.00 179.97 179.07 3dwc h LYS 103 N 1.00 0.12 -0.41 0.20 3.64 -0.80 -1.38 116.57 118.93 3dwc h LYS 103 Ca 0.25 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.66 3dwc h LYS 103 Cb 0.05 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 3dwc h LYS 103 CO -0.04 0.36 0.06 1.15 -2.27 0.00 0.00 179.45 178.71 3dwc h THR 104 N -0.14 0.76 -0.32 1.00 2.02 -1.25 0.12 112.91 115.11 3dwc h THR 104 Ca 0.02 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3dwc h THR 104 Cb 0.30 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3dwc h THR 104 CO 0.00 0.03 0.21 0.58 0.37 0.00 0.00 175.52 176.71 3dwc h VAL 105 N 0.18 1.08 -0.37 3.16 2.07 -1.06 -0.16 116.25 121.16 3dwc h VAL 105 Ca 0.20 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3dwc h VAL 105 Cb 0.25 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3dwc h VAL 105 CO -0.28 0.08 -0.09 0.25 0.02 0.00 0.00 177.57 177.55 3dwc h LEU 106 N 0.43 0.73 -0.50 2.57 5.85 -0.72 -3.04 115.31 120.62 3dwc h LEU 106 Ca 0.12 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.31 3dwc h LEU 106 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3dwc h LEU 106 CO -0.02 0.93 -0.74 0.71 -0.34 0.00 0.00 178.44 178.97 3dwc h THR 107 N 0.52 1.50 -0.52 1.05 1.35 -0.67 0.11 112.91 116.26 3dwc h THR 107 Ca 0.09 -2.46 -0.01 0.00 -0.55 0.00 0.00 66.41 63.48 3dwc h THR 107 Cb 0.61 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 3dwc h THR 107 CO 0.04 0.71 0.29 0.74 -0.25 0.00 0.00 175.52 177.05 3dwc h THR 108 N 0.04 1.17 0.12 6.82 2.02 -1.03 -2.20 112.91 119.86 3dwc h THR 108 Ca -0.01 -0.42 -0.29 0.00 0.77 0.00 0.00 66.41 66.45 3dwc h THR 108 Cb 1.31 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3dwc h THR 108 CO 0.10 0.18 -1.42 0.07 0.37 0.00 0.00 175.52 174.82 3dwc h LYS 109 N 0.70 0.26 -1.04 6.66 2.10 -1.50 -3.30 116.57 120.45 3dwc h LYS 109 Ca 0.18 -0.44 0.27 0.00 -2.00 0.00 0.00 60.65 58.66 3dwc h LYS 109 Cb 0.03 0.16 -0.11 0.00 -0.90 0.00 0.00 32.23 31.42 3dwc h LYS 109 CO -0.03 1.15 0.65 0.00 -2.00 0.00 0.00 179.45 179.21 3dwc h ALA 110 N 0.53 2.08 -0.03 0.07 0.00 -0.69 -2.09 119.26 119.14 3dwc h ALA 110 Ca -0.20 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dwc h ALA 110 Cb 2.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 3dwc h ALA 110 CO 0.18 -0.53 0.00 1.25 0.00 0.00 0.00 179.25 180.15 3dwc h HIS 111 N 0.45 0.05 -0.17 0.00 -0.00 -1.47 0.84 115.15 114.85 3dwc h HIS 111 Ca 0.63 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.91 3dwc h HIS 111 Cb 1.46 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.85 3dwc h HIS 111 CO -0.00 0.31 -0.21 1.96 -0.00 0.00 0.00 177.93 179.98 3dwc h GLN 112 N -0.22 0.44 -0.39 5.26 4.20 -1.63 0.34 115.11 123.10 3dwc h GLN 112 Ca 0.01 -0.25 0.08 0.00 0.06 0.00 0.00 58.65 58.55 3dwc h GLN 112 Cb 0.28 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3dwc h GLN 112 CO 0.00 0.83 -0.06 0.28 -0.67 0.00 0.00 178.83 179.21 3dwc h VAL 113 N 0.07 0.65 0.39 -0.54 2.07 -1.45 -2.40 116.25 115.04 3dwc h VAL 113 Ca 0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3dwc h VAL 113 Cb 0.77 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3dwc h VAL 113 CO 0.05 0.01 -0.19 -0.25 0.02 0.00 0.00 177.57 177.21 3dwc h TRP 114 N 0.04 -0.49 -0.68 1.57 7.01 -0.66 -1.63 115.95 121.12 3dwc h TRP 114 Ca 0.19 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.32 3dwc h TRP 114 Cb 0.28 0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 3dwc h TRP 114 CO -0.31 -0.27 0.46 -0.22 -2.79 0.00 0.00 178.44 175.31 3dwc h LYS 115 N -0.59 0.29 0.18 2.65 3.64 -0.20 -0.67 116.57 121.87 3dwc h LYS 115 Ca -0.05 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 3dwc h LYS 115 Cb 0.44 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3dwc h LYS 115 CO 0.09 0.19 -1.32 1.15 -2.27 0.00 0.00 179.45 177.29 3dwc h THR 116 N 0.30 1.24 -0.45 1.00 2.02 -1.29 -2.98 112.91 112.75 3dwc h THR 116 Ca 0.33 -2.56 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 3dwc h THR 116 Cb 0.87 2.98 -0.02 0.00 -1.74 0.00 0.00 68.15 70.23 3dwc h THR 116 CO -0.08 0.77 0.27 0.00 0.37 0.00 0.00 175.52 176.85 3dwc h ARG 118 N 0.61 0.20 0.00 0.00 2.43 -1.19 0.61 114.38 117.04 3dwc h ARG 118 Ca 0.16 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3dwc h ARG 118 Cb -0.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3dwc h ARG 118 CO -0.03 0.42 -0.26 1.05 -1.51 0.00 0.00 179.97 179.63 3dwc h GLU 119 N -0.04 0.00 -0.43 0.20 4.11 -1.33 -2.48 114.58 114.61 3dwc h GLU 119 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3dwc h GLU 119 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3dwc h GLU 119 CO 0.00 0.26 0.00 0.36 0.07 0.00 0.00 179.01 179.70 3dwc n LYS 120 N -3.55 2.93 -3.51 1.06 2.85 -0.90 -5.00 118.16 112.05 3dwc n LYS 120 Ca -0.01 -2.31 -0.18 0.00 -1.05 0.00 0.00 58.31 54.76 3dwc n LYS 120 Cb 0.41 -1.43 0.08 0.00 -0.65 0.00 0.00 35.03 33.43 3dwc n LYS 120 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3dwc n ASN 121 N 0.64 -2.03 -3.69 -5.58 5.15 -0.42 -4.95 115.26 104.39 3dwc n ASN 121 Ca 0.16 -0.67 -0.27 0.00 -0.60 0.00 0.00 54.58 53.20 3dwc n ASN 121 Cb 0.55 -4.86 -0.10 0.00 -0.53 0.00 0.00 39.78 34.84 3dwc n ASN 121 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3dwc n ASP 122 N -3.10 2.79 0.16 1.20 2.03 0.20 -4.84 116.55 114.99 3dwc n ASP 122 Ca -0.28 -3.18 0.03 0.00 0.52 0.00 0.00 54.79 51.88 3dwc n ASP 122 Cb 0.67 -0.71 0.40 0.00 -0.72 0.00 0.00 41.12 40.75 3dwc n ASP 122 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3dwc h PHE 123 N 5.00 0.14 -0.94 -0.67 3.57 -1.93 -3.04 116.94 119.08 3dwc h PHE 123 Ca 0.17 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3dwc h PHE 123 Cb 0.75 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3dwc h PHE 123 CO 0.64 0.35 0.60 0.00 -2.23 0.00 0.00 178.31 177.67 3dwc h ALA 124 N 1.66 1.28 0.00 2.41 0.00 -1.96 0.85 119.26 123.49 3dwc h ALA 124 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 124 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dwc h ALA 124 CO 0.03 0.42 -0.22 0.78 0.00 0.00 0.00 179.25 180.26 3dwc h GLY 125 N 1.13 0.00 1.43 0.00 0.00 -1.95 -3.27 103.07 100.40 3dwc h GLY 125 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.44 3dwc h GLY 125 CO -0.15 0.00 -1.39 -2.75 0.00 0.00 0.00 176.54 172.25 3dwc h PHE 126 N 0.00 0.38 -0.83 5.60 3.57 -1.29 -3.41 116.94 120.97 3dwc h PHE 126 Ca -0.00 -0.28 0.16 0.00 3.53 0.00 0.00 57.97 61.38 3dwc h PHE 126 Cb 1.06 -0.02 -0.16 0.00 2.79 0.00 0.00 35.95 39.63 3dwc h PHE 126 CO 0.00 1.28 -0.22 1.25 -2.23 0.00 0.00 178.31 178.39 3dwc h LEU 127 N 0.06 -0.82 -0.97 0.59 5.85 -0.91 0.16 115.31 119.26 3dwc h LEU 127 Ca -0.18 0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3dwc h LEU 127 Cb 1.97 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 43.50 3dwc h LEU 127 CO 0.17 -0.28 0.20 -0.65 -0.34 0.00 0.00 178.44 177.54 3dwc h PRO 128 N -0.01 0.95 -0.62 5.25 0.11 -1.79 0.32 132.00 136.22 3dwc h PRO 128 Ca 0.39 -0.18 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 3dwc h PRO 128 Cb 0.60 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3dwc h PRO 128 CO -0.85 0.81 0.05 1.15 -0.21 0.00 0.00 178.00 178.96 3dwc h THR 129 N 0.92 1.26 -0.50 -1.15 2.02 -1.31 -2.77 112.91 111.39 3dwc h THR 129 Ca 0.21 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 3dwc h THR 129 Cb 0.26 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3dwc h THR 129 CO -0.01 0.39 -0.09 0.25 0.37 0.00 0.00 175.52 176.43 3dwc h LEU 130 N 0.96 0.91 -1.80 2.58 5.85 0.09 -2.49 115.31 121.43 3dwc h LEU 130 Ca 0.18 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3dwc h LEU 130 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3dwc h LEU 130 CO 0.02 1.03 0.11 0.11 -0.34 0.00 0.00 178.44 179.37 3dwc h LYS 131 N 0.83 0.25 0.13 1.25 1.57 -0.23 -1.76 116.57 118.60 3dwc h LYS 131 Ca 0.14 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.62 3dwc h LYS 131 Cb 0.62 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 32.91 3dwc h LYS 131 CO 0.04 0.17 -1.19 0.93 -0.57 0.00 0.00 179.45 178.84 3dwc h GLU 132 N 0.25 0.58 0.20 3.15 5.08 -1.20 -2.76 114.58 119.88 3dwc h GLU 132 Ca 0.07 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 3dwc h GLU 132 Cb -0.01 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3dwc h GLU 132 CO -0.01 1.36 -0.19 -0.07 -1.00 0.00 0.00 179.01 179.09 3dwc h LEU 133 N 0.18 -0.51 -0.37 1.33 3.38 -1.16 -0.13 115.31 118.03 3dwc h LEU 133 Ca -0.18 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3dwc h LEU 133 Cb 1.88 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 3dwc h LEU 133 CO 0.23 -0.29 0.06 0.40 0.09 0.00 0.00 178.44 178.93 3dwc h ILE 134 N -0.42 0.80 -0.95 1.22 1.08 -1.41 0.36 117.51 118.19 3dwc h ILE 134 Ca -0.00 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3dwc h ILE 134 Cb 0.39 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 3dwc h ILE 134 CO -0.04 0.03 0.62 0.00 -0.69 0.00 0.00 178.15 178.08 3dwc h ALA 135 N 1.29 1.23 -0.12 1.87 0.00 -1.33 -1.22 119.26 120.97 3dwc h ALA 135 Ca 0.18 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3dwc h ALA 135 Cb 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dwc h ALA 135 CO -0.25 0.54 -0.49 1.25 0.00 0.00 0.00 179.25 180.30 3dwc h LEU 136 N 1.24 0.36 -0.37 0.00 6.46 0.56 -2.04 115.31 121.52 3dwc h LEU 136 Ca 0.36 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 3dwc h LEU 136 Cb -0.07 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 3dwc h LEU 136 CO -0.10 0.79 0.08 -0.26 -0.62 0.00 0.00 178.44 178.34 3dwc h PHE 137 N 0.26 0.62 -0.76 1.25 0.04 0.03 0.24 116.94 118.63 3dwc h PHE 137 Ca 0.01 -0.08 0.09 0.00 2.80 0.00 0.00 57.97 60.80 3dwc h PHE 137 Cb 0.96 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.87 3dwc h PHE 137 CO 0.02 0.62 0.41 0.00 -0.60 0.00 0.00 178.31 178.76 3dwc h ARG 138 N 0.44 0.67 -0.15 1.51 3.08 -1.16 0.28 114.38 119.05 3dwc h ARG 138 Ca 0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3dwc h ARG 138 Cb 0.32 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3dwc h ARG 138 CO 0.00 0.45 -0.03 0.93 -1.07 0.00 0.00 179.97 180.25 3dwc h GLU 139 N 0.69 0.29 -0.42 0.04 4.39 -1.24 -2.79 114.58 115.54 3dwc h GLU 139 Ca 0.37 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 60.01 3dwc h GLU 139 Cb 0.36 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 3dwc h GLU 139 CO -0.25 0.55 0.17 1.49 -1.16 0.00 0.00 179.01 179.81 3dwc h GLU 140 N -0.00 0.35 -0.17 2.33 4.81 0.06 -1.16 114.58 120.80 3dwc h GLU 140 Ca 0.04 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dwc h GLU 140 Cb 0.44 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3dwc h GLU 140 CO 0.01 0.23 -0.10 0.78 -0.73 0.00 0.00 179.01 179.20 3dwc h GLY 141 N 0.36 0.03 0.54 1.92 0.00 -0.50 0.64 103.07 106.06 3dwc h GLY 141 Ca 0.19 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.73 3dwc h GLY 141 CO -0.17 -0.12 0.37 0.50 0.00 0.00 0.00 176.54 177.12 3dwc h LYS 142 N -0.10 0.63 -0.39 4.80 1.57 -1.19 0.75 116.57 122.63 3dwc h LYS 142 Ca 0.10 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3dwc h LYS 142 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dwc h LYS 142 CO -0.23 0.41 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.95 3dwc h LEU 143 N 0.65 0.72 -0.74 2.94 3.38 -0.57 -2.92 115.31 118.75 3dwc h LEU 143 Ca 0.34 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3dwc h LEU 143 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3dwc h LEU 143 CO -0.24 0.88 -0.53 0.03 0.09 0.00 0.00 178.44 178.67 3dwc h ARG 144 N 0.54 0.00 0.00 1.13 3.08 -0.68 -2.94 114.38 115.51 3dwc h ARG 144 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3dwc h ARG 144 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3dwc h ARG 144 CO 0.03 0.53 -0.22 0.00 -1.07 0.00 0.00 179.97 179.24 3dwc h ALA 145 N 1.47 1.56 -0.71 0.04 0.00 -0.72 -3.48 119.26 117.42 3dwc h ALA 145 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3dwc h ALA 145 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dwc h ALA 145 CO 0.07 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3dwc n GLY 146 N -0.83 2.53 1.75 0.00 0.00 -1.11 -2.12 105.19 105.41 3dwc n GLY 146 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.73 3dwc n GLY 146 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dwc n ASN 147 N 0.28 5.26 0.23 1.61 6.94 -1.26 -4.40 115.26 123.93 3dwc n ASN 147 Ca 0.00 -2.82 0.11 0.00 -0.02 0.00 0.00 54.58 51.85 3dwc n ASN 147 Cb 0.00 -0.66 0.44 0.00 -2.36 0.00 0.00 39.78 37.20 3dwc n ASN 147 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3dwc h SER 148 N 3.64 0.00 -0.02 0.53 4.64 -1.82 -3.47 113.55 117.06 3dwc h SER 148 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dwc h SER 148 Cb 1.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3dwc h SER 148 CO 0.44 0.17 -0.01 0.61 -0.87 0.00 0.00 176.83 177.17 3dwc n GLY 149 N 0.31 0.43 3.77 -0.77 0.00 -1.26 -5.01 105.19 102.65 3dwc n GLY 149 Ca 0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3dwc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwc s LYS 150 N -0.55 4.40 0.20 1.61 1.02 -1.26 -4.98 119.74 120.19 3dwc s LYS 150 Ca 0.00 2.12 -0.32 0.00 0.02 0.00 0.00 55.97 57.78 3dwc s LYS 150 Cb 0.00 -3.08 -0.14 0.00 -0.52 0.00 0.00 37.83 34.09 3dwc s LYS 150 CO 0.00 -0.11 1.44 1.58 -0.92 0.00 0.00 175.35 177.34 3dwc n HIS 151 N 0.85 2.11 -0.24 3.18 -0.00 -1.26 -4.84 115.22 115.03 3dwc n HIS 151 Ca -0.00 0.41 0.09 0.00 -0.00 0.00 0.00 57.72 58.22 3dwc n HIS 151 Cb 0.43 -2.47 0.35 0.00 -0.00 0.00 0.00 29.99 28.30 3dwc n HIS 151 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3dwc h PRO 152 N 4.69 0.74 -0.27 1.57 0.13 -1.94 0.38 132.00 137.30 3dwc h PRO 152 Ca -0.45 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3dwc h PRO 152 Cb 1.28 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3dwc h PRO 152 CO 0.79 0.49 -0.09 -0.92 -0.23 0.00 0.00 178.00 178.04 3dwc h TYR 153 N 0.76 0.46 -0.92 1.56 3.20 -1.89 -1.98 116.97 118.15 3dwc h TYR 153 Ca 0.39 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3dwc h TYR 153 Cb 0.48 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3dwc h TYR 153 CO -0.00 0.53 0.53 1.49 -1.64 0.00 0.00 178.16 179.07 3dwc h GLU 154 N 0.41 1.27 -0.39 1.82 4.81 -1.29 -0.32 114.58 120.89 3dwc h GLU 154 Ca 0.08 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3dwc h GLU 154 Cb 0.42 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3dwc h GLU 154 CO 0.02 0.90 0.12 0.00 -0.73 0.00 0.00 179.01 179.32 3dwc h ALA 155 N 1.30 1.48 -0.03 2.92 0.00 -0.94 0.55 119.26 124.54 3dwc h ALA 155 Ca 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3dwc h ALA 155 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dwc h ALA 155 CO -0.06 0.39 -0.08 -0.07 0.00 0.00 0.00 179.25 179.43 3dwc h LEU 156 N 0.55 0.12 -1.22 0.00 3.38 -1.05 -3.22 115.31 113.87 3dwc h LEU 156 Ca 0.13 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.56 3dwc h LEU 156 Cb 0.17 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3dwc h LEU 156 CO -0.01 0.70 0.55 0.58 0.09 0.00 0.00 178.44 180.35 3dwc h VAL 157 N -0.45 1.06 -0.09 1.22 2.07 -0.77 -1.97 116.25 117.30 3dwc h VAL 157 Ca -0.00 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3dwc h VAL 157 Cb 0.68 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3dwc h VAL 157 CO 0.02 0.17 0.16 -0.78 0.02 0.00 0.00 177.57 177.16 3dwc h ASP 158 N 0.95 0.00 -0.71 0.57 3.58 -0.91 -0.17 116.42 119.73 3dwc h ASP 158 Ca 0.36 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 3dwc h ASP 158 Cb 0.21 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3dwc h ASP 158 CO -0.13 0.00 0.40 0.40 -2.88 0.00 0.00 179.24 177.03 3dwc h ILE 159 N 0.00 1.21 0.00 2.25 2.04 -1.39 -3.16 117.51 118.47 3dwc h ILE 159 Ca 0.05 -0.51 -0.34 0.00 1.00 0.00 0.00 64.86 65.06 3dwc h ILE 159 Cb 0.37 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3dwc h ILE 159 CO -0.00 0.23 -2.09 -1.22 0.00 0.00 0.00 178.15 175.07 3dwc n TYR 160 N -4.50 0.45 -3.34 1.37 4.01 -0.53 -4.67 117.16 109.94 3dwc n TYR 160 Ca 0.06 0.16 -0.26 0.00 -0.16 0.00 0.00 57.90 57.70 3dwc n TYR 160 Cb 0.08 -1.08 -0.08 0.00 -0.31 0.00 0.00 39.34 37.94 3dwc n TYR 160 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3dwc n GLU 161 N -2.90 1.03 -1.63 -0.72 4.07 -0.19 -2.09 120.64 118.21 3dwc n GLU 161 Ca -0.26 -3.60 -0.46 0.00 -0.06 0.00 0.00 57.16 52.78 3dwc n GLU 161 Cb 1.11 -1.61 -0.03 0.00 -0.06 0.00 0.00 31.44 30.85 3dwc n GLU 161 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3dwc n PRO 162 N 1.69 1.69 0.00 5.31 -0.04 -1.19 -2.04 135.00 140.42 3dwc n PRO 162 Ca 0.25 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 3dwc n PRO 162 Cb 0.48 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3dwc n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dwc n GLY 163 N 1.91 2.42 3.66 0.55 0.00 -1.26 -4.71 105.19 107.75 3dwc n GLY 163 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3dwc n GLY 163 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dwc s MET 164 N -0.34 4.25 0.38 1.61 0.00 -0.86 -5.00 119.30 119.34 3dwc s MET 164 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 55.69 57.20 3dwc s MET 164 Cb 0.00 -3.72 -0.07 0.00 0.00 0.00 0.00 34.83 31.05 3dwc s MET 164 CO 0.00 -0.66 0.75 0.95 0.00 0.00 0.00 175.02 176.06 3dwc s THR 165 N 3.27 4.79 0.25 10.11 -4.23 -1.26 -4.70 115.64 123.87 3dwc s THR 165 Ca 0.53 0.62 0.05 0.00 -1.18 0.00 0.00 61.69 61.71 3dwc s THR 165 Cb -0.21 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 3dwc s THR 165 CO 0.14 -0.45 1.60 0.25 -0.54 0.00 0.00 174.62 175.62 3dwc h LEU 166 N 1.44 0.28 -0.56 4.79 5.85 -1.94 -2.32 115.31 122.84 3dwc h LEU 166 Ca -0.47 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.15 3dwc h LEU 166 Cb 1.19 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3dwc h LEU 166 CO 0.64 0.76 0.30 -0.61 -0.34 0.00 0.00 178.44 179.20 3dwc h GLN 167 N 0.20 0.57 -0.56 1.25 4.15 -1.99 -0.73 115.11 118.00 3dwc h GLN 167 Ca 0.00 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 3dwc h GLN 167 Cb 1.01 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 3dwc h GLN 167 CO 0.08 0.38 -0.08 -0.09 -1.93 0.00 0.00 178.83 177.19 3dwc h ARG 168 N 0.59 1.04 -0.33 1.69 9.65 -1.93 -2.25 114.38 122.83 3dwc h ARG 168 Ca 0.24 -0.37 -0.08 0.00 -1.10 0.00 0.00 59.98 58.67 3dwc h ARG 168 Cb 0.12 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3dwc h ARG 168 CO -0.15 1.06 -0.12 -0.07 2.80 0.00 0.00 179.97 183.49 3dwc h LEU 169 N 0.92 0.68 -1.01 3.80 3.38 -1.19 -0.54 115.31 121.35 3dwc h LEU 169 Ca 0.15 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.84 3dwc h LEU 169 Cb 0.65 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3dwc h LEU 169 CO 0.04 0.91 0.64 0.44 0.09 0.00 0.00 178.44 180.56 3dwc h ASP 170 N 0.44 0.96 -0.20 -0.43 3.45 -1.09 -0.11 116.42 119.44 3dwc h ASP 170 Ca 0.08 0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 3dwc h ASP 170 Cb 0.64 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3dwc h ASP 170 CO 0.04 0.53 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.75 3dwc h GLU 171 N 1.04 0.47 0.40 3.56 5.08 -1.12 -0.09 114.58 123.92 3dwc h GLU 171 Ca 0.49 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3dwc h GLU 171 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3dwc h GLU 171 CO -0.25 0.79 -0.29 0.82 -1.00 0.00 0.00 179.01 179.08 3dwc h ILE 172 N 0.15 0.39 -0.28 3.13 2.04 -0.88 0.11 117.51 122.17 3dwc h ILE 172 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3dwc h ILE 172 Cb 0.69 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3dwc h ILE 172 CO 0.04 0.00 -0.06 -0.26 0.00 0.00 0.00 178.15 177.88 3dwc h PHE 173 N -0.69 0.46 -0.53 1.37 0.04 -1.07 -1.01 116.94 115.51 3dwc h PHE 173 Ca -0.04 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3dwc h PHE 173 Cb 0.59 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3dwc h PHE 173 CO -0.13 0.50 0.15 0.78 -0.60 0.00 0.00 178.31 179.00 3dwc h GLY 174 N 0.82 0.86 0.85 -1.45 0.00 -0.87 0.59 103.07 103.87 3dwc h GLY 174 Ca 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3dwc h GLY 174 CO 0.02 0.45 -0.12 -0.57 0.00 0.00 0.00 176.54 176.32 3dwc h ASN 175 N 0.78 -0.28 -1.00 0.19 -0.73 0.06 -2.94 115.58 111.67 3dwc h ASN 175 Ca 0.18 -0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.29 3dwc h ASN 175 Cb 0.26 0.07 -0.06 0.00 0.27 0.00 0.00 38.32 38.86 3dwc h ASN 175 CO -0.01 -0.06 0.65 0.58 -0.37 0.00 0.00 177.43 178.22 3dwc h VAL 176 N -0.49 1.14 0.00 2.57 2.07 -0.92 -2.08 116.25 118.55 3dwc h VAL 176 Ca -0.03 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3dwc h VAL 176 Cb 0.37 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3dwc h VAL 176 CO 0.06 0.22 -0.11 -0.09 0.02 0.00 0.00 177.57 177.67 3dwc h ARG 177 N 1.23 0.00 0.00 1.57 2.43 -0.77 -1.53 114.38 117.31 3dwc h ARG 177 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3dwc h ARG 177 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3dwc h ARG 177 CO -0.14 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.09 3dwc h SER 178 N 0.00 0.00 0.00 -3.80 4.64 -1.20 -3.39 113.55 109.80 3dwc h SER 178 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dwc h SER 178 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3dwc h SER 178 CO 0.01 0.00 -0.50 -2.67 -0.87 0.00 0.00 176.83 172.81 3dwc n TRP 179 N -3.04 0.00 -0.01 4.77 4.27 -1.02 -4.89 117.44 117.53 3dwc n TRP 179 Ca 0.03 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.46 3dwc n TRP 179 Cb 0.42 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.28 3dwc n TRP 179 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3dwc h LEU 180 N 0.00 0.75 -0.66 5.67 5.85 -1.49 -0.03 115.31 125.41 3dwc h LEU 180 Ca 0.00 -0.68 0.03 0.00 0.84 0.00 0.00 57.88 58.07 3dwc h LEU 180 Cb 0.45 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3dwc h LEU 180 CO 0.00 1.33 0.40 -0.65 -0.34 0.00 0.00 178.44 179.18 3dwc h PRO 181 N 0.25 0.76 -0.25 5.25 0.11 -1.78 -0.83 132.00 135.49 3dwc h PRO 181 Ca -0.07 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 3dwc h PRO 181 Cb 1.37 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3dwc h PRO 181 CO 0.14 0.50 -0.31 1.05 -0.21 0.00 0.00 178.00 179.18 3dwc h GLU 182 N 0.78 0.52 -0.05 1.05 4.11 -1.88 -2.63 114.58 116.49 3dwc h GLU 182 Ca 0.27 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 3dwc h GLU 182 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dwc h GLU 182 CO -0.12 0.77 0.03 1.25 0.07 0.00 0.00 179.01 181.01 3dwc h LEU 183 N 0.45 0.06 -0.75 3.06 5.85 -0.62 -1.26 115.31 122.10 3dwc h LEU 183 Ca 0.06 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.85 3dwc h LEU 183 Cb 0.76 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 3dwc h LEU 183 CO 0.06 0.10 0.33 0.25 -0.34 0.00 0.00 178.44 178.84 3dwc h LEU 184 N 0.01 0.35 -0.24 2.25 5.85 -1.02 -0.35 115.31 122.16 3dwc h LEU 184 Ca 0.02 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3dwc h LEU 184 Cb 0.06 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3dwc h LEU 184 CO -0.00 0.15 0.03 0.11 -0.34 0.00 0.00 178.44 178.39 3dwc h LYS 185 N 0.50 0.41 -0.83 1.25 1.57 -1.18 -1.83 116.57 116.45 3dwc h LYS 185 Ca 0.40 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3dwc h LYS 185 Cb 0.57 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3dwc h LYS 185 CO -0.37 0.55 0.54 1.49 -0.57 0.00 0.00 179.45 181.09 3dwc h GLU 186 N 0.20 1.10 -0.53 3.15 4.81 -0.87 -1.51 114.58 120.93 3dwc h GLU 186 Ca 0.07 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3dwc h GLU 186 Cb 0.35 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3dwc h GLU 186 CO 0.01 0.74 0.12 0.28 -0.73 0.00 0.00 179.01 179.42 3dwc h VAL 187 N 1.12 1.25 -0.15 0.32 2.07 -0.86 -1.45 116.25 118.55 3dwc h VAL 187 Ca 0.30 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3dwc h VAL 187 Cb -0.11 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3dwc h VAL 187 CO -0.06 0.33 0.08 1.56 0.02 0.00 0.00 177.57 179.50 3dwc h GLN 188 N 0.76 0.21 -0.24 1.57 4.20 -1.14 0.40 115.11 120.87 3dwc h GLN 188 Ca 0.17 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3dwc h GLN 188 Cb 0.36 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3dwc h GLN 188 CO 0.00 0.22 -0.27 1.05 -0.67 0.00 0.00 178.83 179.16 3dwc h GLU 189 N 0.15 0.46 0.12 1.46 4.11 -1.21 -1.60 114.58 118.07 3dwc h GLU 189 Ca 0.05 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 3dwc h GLU 189 Cb 0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3dwc h GLU 189 CO -0.01 0.69 -0.06 -0.22 0.07 0.00 0.00 179.01 179.48 3dwc h LYS 190 N 0.40 -0.16 -0.80 1.06 3.64 -1.06 -1.50 116.57 118.16 3dwc h LYS 190 Ca 0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3dwc h LYS 190 Cb 0.68 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 3dwc h LYS 190 CO 0.05 -0.07 0.53 1.96 -2.27 0.00 0.00 179.45 179.65 3dwc h GLN 191 N -0.21 1.03 -0.78 1.90 4.20 -0.79 -0.49 115.11 119.98 3dwc h GLN 191 Ca -0.02 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3dwc h GLN 191 Cb 0.16 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 3dwc h GLN 191 CO 0.03 0.68 0.38 -0.22 -0.67 0.00 0.00 178.83 179.04 3dwc h LYS 192 N 1.07 1.12 -0.49 1.46 3.64 -1.26 -1.15 116.57 120.95 3dwc h LYS 192 Ca 0.30 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3dwc h LYS 192 Cb -0.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 3dwc h LYS 192 CO -0.07 0.86 -0.07 0.00 -2.27 0.00 0.00 179.45 177.90 3dwc h ALA 193 N 1.20 0.67 -0.57 5.00 0.00 -0.76 -3.13 119.26 121.67 3dwc h ALA 193 Ca 0.27 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3dwc h ALA 193 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dwc h ALA 193 CO -0.04 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.70 3dwc h LEU 194 N 0.77 0.95 -1.21 0.00 3.38 -0.91 -3.48 115.31 114.82 3dwc h LEU 194 Ca 0.13 -0.26 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 3dwc h LEU 194 Cb 0.61 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 3dwc h LEU 194 CO 0.04 1.00 -0.82 0.61 0.09 0.00 0.00 178.44 179.36 3dwc n GLY 195 N -0.51 -0.42 3.76 0.83 0.00 -0.45 -4.90 105.19 103.50 3dwc n GLY 195 Ca 0.03 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3dwc n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dwc s GLU 196 N -6.75 3.66 0.10 1.61 2.02 -1.26 -4.95 118.70 113.12 3dwc s GLU 196 Ca 0.58 2.17 -0.31 0.00 0.02 0.00 0.00 54.97 57.43 3dwc s GLU 196 Cb -0.31 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.29 3dwc s GLU 196 CO 0.89 -0.76 1.46 0.99 0.02 0.00 0.00 175.26 177.86 3dwc s THR 197 N -1.31 3.20 -0.13 3.63 2.01 -1.26 -5.03 115.64 116.76 3dwc s THR 197 Ca 0.63 0.81 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3dwc s THR 197 Cb -0.38 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.63 3dwc s THR 197 CO 0.48 0.04 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 3dwc s VAL 198 N 1.51 1.54 -0.28 3.82 1.01 -1.26 -5.00 120.40 121.75 3dwc s VAL 198 Ca 0.67 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3dwc s VAL 198 Cb -0.38 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3dwc s VAL 198 CO 0.30 0.45 0.18 -0.76 0.00 0.00 0.00 175.10 175.28 3dwc s LEU 199 N 1.28 4.00 0.05 3.92 1.43 -1.26 -5.07 118.68 123.03 3dwc s LEU 199 Ca 0.00 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.79 3dwc s LEU 199 Cb -0.14 -2.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 3dwc s LEU 199 CO -0.07 -0.04 1.24 -1.61 0.23 0.00 0.00 176.35 176.10 3dwc s GLU 200 N 1.72 4.39 0.33 1.70 0.41 -1.26 -4.78 118.70 121.21 3dwc s GLU 200 Ca 0.07 1.82 -0.28 0.00 -0.41 0.00 0.00 54.97 56.16 3dwc s GLU 200 Cb -0.16 -3.38 -0.12 0.00 -1.78 0.00 0.00 34.13 28.68 3dwc s GLU 200 CO 0.10 -0.34 1.29 -2.30 -0.49 0.00 0.00 175.26 173.52 3dwc n PRO 201 N 4.24 2.09 -3.82 0.39 -0.02 -1.26 -4.86 135.00 131.76 3dwc n PRO 201 Ca 0.10 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 3dwc n PRO 201 Cb 0.46 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3dwc n PRO 201 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dwc s LYS 202 N -1.78 3.46 0.00 -0.52 2.47 -1.26 -4.97 119.74 117.15 3dwc s LYS 202 Ca 0.56 -0.59 0.00 0.00 -1.56 0.00 0.00 55.97 54.38 3dwc s LYS 202 Cb -0.58 -3.20 0.00 0.00 -1.46 0.00 0.00 37.83 32.60 3dwc s LYS 202 CO 0.61 -0.22 0.00 0.41 0.16 0.00 0.00 175.35 176.31 3dwc n GLY 203 N 4.86 -0.37 3.77 5.54 0.00 -1.26 -4.85 105.19 112.88 3dwc n GLY 203 Ca -0.17 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 3dwc n GLY 203 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwc s PRO 204 N 0.40 4.01 -0.42 1.61 0.04 -1.26 -5.11 135.00 134.26 3dwc s PRO 204 Ca 0.00 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 3dwc s PRO 204 Cb 0.00 -2.60 0.08 0.00 0.04 0.00 0.00 34.50 32.01 3dwc s PRO 204 CO 0.00 -0.34 0.27 -0.06 0.04 0.00 0.00 177.00 176.91 3dwc s PHE 205 N -1.47 3.32 0.28 0.56 0.40 0.60 -5.03 117.98 116.63 3dwc s PHE 205 Ca 0.58 -1.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 3dwc s PHE 205 Cb -0.29 -2.95 -0.13 0.00 0.51 0.00 0.00 43.02 40.16 3dwc s PHE 205 CO 0.36 -0.83 1.37 -2.30 0.70 0.00 0.00 175.22 174.52 3dwc n PRO 206 N 4.95 2.09 0.20 0.24 -0.02 -1.26 -4.29 135.00 136.90 3dwc n PRO 206 Ca -0.10 0.74 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 3dwc n PRO 206 Cb 0.43 -2.37 0.50 0.00 -0.02 0.00 0.00 33.50 32.04 3dwc n PRO 206 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dwc h VAL 207 N 2.87 1.11 -0.78 -1.45 2.07 -1.97 -1.62 116.25 116.48 3dwc h VAL 207 Ca -0.45 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3dwc h VAL 207 Cb 1.28 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3dwc h VAL 207 CO 0.71 0.15 0.31 0.77 0.02 0.00 0.00 177.57 179.53 3dwc h SER 208 N 0.07 1.08 0.50 0.57 4.64 -2.00 -0.77 113.55 117.64 3dwc h SER 208 Ca 0.02 -0.17 -0.23 0.00 -0.47 0.00 0.00 61.79 60.94 3dwc h SER 208 Cb 0.25 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3dwc h SER 208 CO 0.02 0.95 -1.01 0.11 -0.87 0.00 0.00 176.83 176.03 3dwc h LYS 209 N 1.14 0.31 -0.50 4.77 1.57 -1.70 -2.07 116.57 120.09 3dwc h LYS 209 Ca 0.26 -0.38 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3dwc h LYS 209 Cb 0.22 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3dwc h LYS 209 CO -0.02 1.09 0.31 1.96 -0.57 0.00 0.00 179.45 182.23 3dwc h GLN 210 N 0.15 0.61 -0.33 3.15 4.20 -1.15 -1.75 115.11 120.00 3dwc h GLN 210 Ca -0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 3dwc h GLN 210 Cb 1.67 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.29 3dwc h GLN 210 CO 0.17 0.41 0.15 1.49 -0.67 0.00 0.00 178.83 180.37 3dwc h GLU 211 N 0.63 0.49 -0.84 1.46 4.81 -1.00 -1.31 114.58 118.83 3dwc h GLU 211 Ca 0.19 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3dwc h GLU 211 Cb -0.02 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.21 3dwc h GLU 211 CO -0.07 0.47 0.50 0.00 -0.73 0.00 0.00 179.01 179.18 3dwc h ALA 212 N 1.00 1.17 -0.41 2.92 0.00 -1.27 -0.93 119.26 121.74 3dwc h ALA 212 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3dwc h ALA 212 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dwc h ALA 212 CO -0.01 0.18 0.06 1.25 0.00 0.00 0.00 179.25 180.72 3dwc h LEU 213 N 0.87 0.65 -0.78 0.00 5.85 -0.88 -0.93 115.31 120.10 3dwc h LEU 213 Ca 0.39 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3dwc h LEU 213 Cb 0.28 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3dwc h LEU 213 CO -0.21 0.75 0.39 0.00 -0.34 0.00 0.00 178.44 179.04 3dwc h ARG 215 N 1.09 0.78 -0.70 0.00 3.08 -1.06 -1.56 114.38 116.00 3dwc h ARG 215 Ca 0.27 -0.22 0.14 0.00 0.07 0.00 0.00 59.98 60.24 3dwc h ARG 215 Cb 0.08 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 3dwc h ARG 215 CO -0.04 0.80 0.18 0.35 -1.07 0.00 0.00 179.97 180.20 3dwc h PHE 216 N 0.64 0.29 -0.04 3.04 3.57 -0.82 -2.03 116.94 121.60 3dwc h PHE 216 Ca 0.14 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3dwc h PHE 216 Cb 0.41 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3dwc h PHE 216 CO 0.03 -0.05 -0.57 0.74 -2.23 0.00 0.00 178.31 176.24 3dwc h PHE 217 N 0.29 0.16 -0.95 0.41 0.04 -1.09 -1.11 116.94 114.68 3dwc h PHE 217 Ca 0.39 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 61.12 3dwc h PHE 217 Cb 0.63 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 3dwc h PHE 217 CO -0.24 0.66 0.63 0.52 -0.60 0.00 0.00 178.31 179.27 3dwc h MET 218 N 0.09 1.21 -0.71 1.51 2.86 -0.99 -1.32 114.93 117.57 3dwc h MET 218 Ca -0.00 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3dwc h MET 218 Cb 1.03 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 3dwc h MET 218 CO 0.08 0.80 0.21 -0.44 1.06 0.00 0.00 176.91 178.62 3dwc h ASP 219 N 1.24 1.04 -0.66 1.22 3.32 -0.75 -0.65 116.42 121.18 3dwc h ASP 219 Ca 0.36 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3dwc h ASP 219 Cb -0.07 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 3dwc h ASP 219 CO -0.10 0.97 0.43 0.58 -1.72 0.00 0.00 179.24 179.41 3dwc h VAL 220 N 1.06 1.15 -0.10 -1.35 2.07 -0.67 0.25 116.25 118.66 3dwc h VAL 220 Ca 0.23 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3dwc h VAL 220 Cb 0.31 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3dwc h VAL 220 CO -0.01 0.16 0.00 0.79 0.02 0.00 0.00 177.57 178.53 3dwc n TRP 221 N -4.44 0.13 -2.87 1.57 8.01 -0.55 -4.52 117.44 114.77 3dwc n TRP 221 Ca 0.07 -0.06 -0.22 0.00 -1.31 0.00 0.00 57.50 55.98 3dwc n TRP 221 Cb 0.06 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.38 3dwc n TRP 221 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dwc n LYS 222 N -0.15 -4.07 -1.66 -0.99 5.02 0.08 -4.93 118.16 111.45 3dwc n LYS 222 Ca 0.14 0.93 -0.46 0.00 -2.02 0.00 0.00 58.31 56.90 3dwc n LYS 222 Cb 0.21 -5.74 -0.04 0.00 -0.02 0.00 0.00 35.03 29.43 3dwc n LYS 222 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dwc n PHE 223 N -4.38 2.22 -2.78 2.13 7.35 -0.32 -4.93 117.46 116.76 3dwc n PHE 223 Ca -0.15 0.29 -0.42 0.00 -0.76 0.00 0.00 57.45 56.41 3dwc n PHE 223 Cb 0.64 -2.53 -0.04 0.00 0.35 0.00 0.00 39.48 37.90 3dwc n PHE 223 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3dwc s ASP 224 N 0.87 6.21 0.00 -2.13 2.15 -1.26 -4.77 116.67 117.75 3dwc s ASP 224 Ca 0.79 -0.71 0.27 0.00 0.43 0.00 0.00 52.55 53.34 3dwc s ASP 224 Cb -0.70 -2.46 1.36 0.00 -0.30 0.00 0.00 42.92 40.82 3dwc s ASP 224 CO 0.38 -1.49 1.93 0.49 -0.17 0.00 0.00 175.17 176.31 3dwc n PHE 225 N 8.06 0.00 0.86 -5.34 3.01 -1.26 -1.29 117.46 121.50 3dwc n PHE 225 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.58 3dwc n PHE 225 Cb 0.47 -0.30 0.46 0.00 -0.01 0.00 0.00 39.48 40.09 3dwc n PHE 225 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3dwc n ASP 226 N -1.30 0.36 -1.16 4.37 10.43 -1.26 -3.90 116.55 124.08 3dwc n ASP 226 Ca 0.12 0.36 -0.01 0.00 2.57 0.00 0.00 54.79 57.83 3dwc n ASP 226 Cb 0.23 -0.38 0.13 0.00 1.84 0.00 0.00 41.12 42.94 3dwc n ASP 226 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dwc n GLY 227 N 1.44 4.69 0.00 0.44 0.00 -0.41 -5.01 105.19 106.33 3dwc n GLY 227 Ca 0.06 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3dwc n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwc n GLY 228 N -0.78 -0.50 3.13 -0.02 0.00 -1.09 -1.13 105.19 104.80 3dwc n GLY 228 Ca 0.22 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 3dwc n GLY 228 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dwc s ARG 229 N -2.00 0.68 -0.08 1.61 0.52 -0.58 -4.62 118.95 114.49 3dwc s ARG 229 Ca 0.00 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.14 3dwc s ARG 229 Cb 0.00 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 3dwc s ARG 229 CO 0.00 -0.16 -0.21 -1.17 0.02 0.00 0.00 175.30 173.78 3dwc s LEU 230 N -2.86 2.30 0.34 2.53 2.96 -1.26 -1.59 118.68 121.09 3dwc s LEU 230 Ca 0.06 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3dwc s LEU 230 Cb 0.07 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3dwc s LEU 230 CO -0.10 0.22 0.36 -1.81 -1.32 0.00 0.00 176.35 173.70 3dwc s ASP 231 N -0.02 1.36 -0.17 3.68 1.01 -0.82 -5.01 116.67 116.70 3dwc s ASP 231 Ca -0.07 -1.65 -0.10 0.00 0.71 0.00 0.00 52.55 51.44 3dwc s ASP 231 Cb -0.15 0.60 -0.05 0.00 1.01 0.00 0.00 42.92 44.34 3dwc s ASP 231 CO 0.05 -1.17 0.17 -0.69 0.21 0.00 0.00 175.17 173.74 3dwc s VAL 232 N -3.26 5.40 0.26 -1.27 1.01 -1.26 -1.78 120.40 119.50 3dwc s VAL 232 Ca 0.37 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3dwc s VAL 232 Cb 0.01 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3dwc s VAL 232 CO 0.25 0.47 0.22 -0.94 0.00 0.00 0.00 175.10 175.09 3dwc s SER 233 N 0.10 0.84 0.43 3.32 1.04 -0.84 -4.65 113.70 113.94 3dwc s SER 233 Ca 0.11 -1.54 0.15 0.00 0.48 0.00 0.00 55.95 55.15 3dwc s SER 233 Cb -0.12 0.47 0.94 0.00 0.10 0.00 0.00 66.02 67.41 3dwc s SER 233 CO 0.01 -0.96 1.94 0.00 0.98 0.00 0.00 173.24 175.20 3dwc h ALA 234 N 2.38 1.56 -3.27 5.32 0.00 -1.87 -3.36 119.26 120.02 3dwc h ALA 234 Ca -0.31 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.07 3dwc h ALA 234 Cb 1.24 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.63 3dwc h ALA 234 CO 0.45 0.30 -0.68 -1.01 0.00 0.00 0.00 179.25 178.31 3dwc s HIS 235 N -4.45 -0.05 0.32 0.00 3.76 -1.26 -4.93 115.29 108.68 3dwc s HIS 235 Ca -0.03 0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 3dwc s HIS 235 Cb 0.15 -0.30 -0.12 0.00 1.11 0.00 0.00 32.58 33.41 3dwc s HIS 235 CO 0.70 -0.19 1.35 -0.35 -0.85 0.00 0.00 174.74 175.40 3dwc n PRO 236 N 4.92 2.21 -3.93 8.40 -0.04 -1.26 -4.91 135.00 140.39 3dwc n PRO 236 Ca -0.12 0.78 -0.08 0.00 -0.04 0.00 0.00 63.50 64.03 3dwc n PRO 236 Cb 0.50 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3dwc n PRO 236 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3dwc s PHE 237 N -0.85 0.16 -0.25 0.54 -0.12 -1.25 -4.97 117.98 111.24 3dwc s PHE 237 Ca 0.58 -0.58 0.02 0.00 -0.05 0.00 0.00 56.93 56.91 3dwc s PHE 237 Cb -0.57 0.44 0.06 0.00 -0.63 0.00 0.00 43.02 42.32 3dwc s PHE 237 CO 0.59 -1.15 -0.10 0.00 -0.05 0.00 0.00 175.22 174.51 3dwc n GLY 239 N 4.50 5.63 7.00 0.00 0.00 -0.13 -4.99 105.19 117.19 3dwc n GLY 239 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3dwc n GLY 239 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dwc n ASN 240 N 0.00 0.00 -4.55 1.61 5.15 -1.26 -2.23 115.26 113.98 3dwc n ASN 240 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 3dwc n ASN 240 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 3dwc n ASN 240 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dwc s SER 241 N -4.00 3.68 0.41 1.20 0.01 -0.99 -4.92 113.70 109.09 3dwc s SER 241 Ca 0.00 -1.22 0.14 0.00 1.31 0.00 0.00 55.95 56.18 3dwc s SER 241 Cb 0.00 -0.34 0.85 0.00 0.21 0.00 0.00 66.02 66.74 3dwc s SER 241 CO 0.00 -0.24 1.90 0.11 0.41 0.00 0.00 173.24 175.41 3dwc h LYS 242 N 2.01 0.00 -0.00 12.44 1.57 -1.91 -0.62 116.57 130.06 3dwc h LYS 242 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3dwc h LYS 242 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3dwc h LYS 242 CO 0.71 0.29 -0.01 0.39 -0.57 0.00 0.00 179.45 180.27 3dwc n GLU 243 N -4.17 0.70 -2.72 3.15 4.71 -1.26 -4.44 120.64 116.61 3dwc n GLU 243 Ca -0.02 -0.03 -0.06 0.00 -0.01 0.00 0.00 57.16 57.03 3dwc n GLU 243 Cb 0.34 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.33 3dwc n GLU 243 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3dwc n ASP 244 N -1.12 -2.27 -4.69 1.62 -0.08 -0.33 -4.60 116.55 105.07 3dwc n ASP 244 Ca 0.18 -2.61 -0.40 0.00 -1.51 0.00 0.00 54.79 50.45 3dwc n ASP 244 Cb 0.19 1.36 -0.05 0.00 2.34 0.00 0.00 41.12 44.97 3dwc n ASP 244 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dwc s VAL 245 N 0.49 5.00 -0.20 5.18 1.01 -0.29 -2.33 120.40 129.26 3dwc s VAL 245 Ca 0.29 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3dwc s VAL 245 Cb 0.20 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.60 3dwc s VAL 245 CO -0.17 0.17 -0.08 -0.13 0.00 0.00 0.00 175.10 174.88 3dwc s ARG 246 N 1.38 1.85 0.25 2.72 0.52 -0.95 -1.52 118.95 123.22 3dwc s ARG 246 Ca 0.35 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 54.80 3dwc s ARG 246 Cb -0.17 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3dwc s ARG 246 CO 0.15 -0.47 0.09 0.96 0.02 0.00 0.00 175.30 176.04 3dwc s ILE 247 N 1.42 3.94 0.13 1.52 -4.36 -0.62 -0.96 121.20 122.27 3dwc s ILE 247 Ca -0.02 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3dwc s ILE 247 Cb -0.17 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.39 3dwc s ILE 247 CO -0.08 -0.35 0.01 0.42 0.24 0.00 0.00 174.94 175.19 3dwc s THR 248 N -2.21 0.40 0.28 8.37 -4.23 -0.59 -1.95 115.64 115.73 3dwc s THR 248 Ca 0.32 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3dwc s THR 248 Cb -0.07 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 3dwc s THR 248 CO 0.22 -0.59 0.42 0.28 -0.54 0.00 0.00 174.62 174.42 3dwc s THR 249 N -3.84 0.00 0.05 3.99 -1.32 -0.73 -3.76 115.64 110.03 3dwc s THR 249 Ca 0.20 -1.58 0.07 0.00 -1.21 0.00 0.00 61.69 59.17 3dwc s THR 249 Cb 0.07 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 3dwc s THR 249 CO 0.00 0.00 -0.20 -0.75 -2.21 0.00 0.00 174.62 171.46 3dwc s LYS 250 N -3.60 1.33 -0.03 7.08 2.20 -1.26 -1.98 119.74 123.48 3dwc s LYS 250 Ca 0.29 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 3dwc s LYS 250 Cb 0.01 -1.46 -0.02 0.00 -1.51 0.00 0.00 37.83 34.85 3dwc s LYS 250 CO 0.14 0.37 -0.23 0.71 -0.36 0.00 0.00 175.35 175.98 3dwc s TYR 251 N -0.85 2.44 0.00 4.03 1.51 -1.26 -4.50 117.35 118.72 3dwc s TYR 251 Ca 0.07 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.81 3dwc s TYR 251 Cb -0.09 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 3dwc s TYR 251 CO 0.02 -0.01 -0.25 -0.08 -1.11 0.00 0.00 175.55 174.12 3dwc s THR 252 N -0.57 2.00 0.41 -0.71 -1.32 -1.26 -5.05 115.64 109.13 3dwc s THR 252 Ca 0.09 -1.16 0.39 0.00 -1.21 0.00 0.00 61.69 59.79 3dwc s THR 252 Cb -0.11 -1.68 0.39 0.00 -1.51 0.00 0.00 72.50 69.60 3dwc s THR 252 CO -0.00 0.49 2.18 -0.33 -2.21 0.00 0.00 174.62 174.75 3dwc h GLU 253 N 5.29 0.00 0.00 7.08 5.08 -1.97 -3.28 114.58 126.78 3dwc h GLU 253 Ca -0.43 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.76 3dwc h GLU 253 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3dwc h GLU 253 CO 0.46 0.00 -0.80 1.79 -1.00 0.00 0.00 179.01 179.46 3dwc h THR 254 N 0.00 1.49 -3.06 1.13 1.35 -1.96 0.17 112.91 112.03 3dwc h THR 254 Ca 0.00 -2.83 -0.04 0.00 -0.55 0.00 0.00 66.41 62.99 3dwc h THR 254 Cb 0.07 2.56 -0.13 0.00 -1.73 0.00 0.00 68.15 68.92 3dwc h THR 254 CO 0.00 0.79 0.11 -1.83 -0.25 0.00 0.00 175.52 174.33 3dwc s GLU 255 N -3.02 1.18 0.00 4.72 4.04 -1.24 -4.32 118.70 120.06 3dwc s GLU 255 Ca 0.01 -0.49 0.03 0.00 0.04 0.00 0.00 54.97 54.56 3dwc s GLU 255 Cb 0.10 0.54 -0.04 0.00 0.02 0.00 0.00 34.13 34.76 3dwc s GLU 255 CO 0.79 -0.49 0.16 1.97 -1.84 0.00 0.00 175.26 175.85 3dwc n PHE 256 N -0.21 0.00 -0.15 4.83 1.16 -1.26 -4.47 117.46 117.37 3dwc n PHE 256 Ca -0.17 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.31 3dwc n PHE 256 Cb 0.64 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.50 3dwc n PHE 256 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3dwc h VAL 257 N 0.02 1.24 -0.49 1.97 2.07 -1.97 -1.40 116.25 117.69 3dwc h VAL 257 Ca 0.00 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3dwc h VAL 257 Cb 0.08 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3dwc h VAL 257 CO 0.00 0.30 0.20 0.74 0.02 0.00 0.00 177.57 178.82 3dwc h THR 258 N 0.56 1.21 -0.23 2.57 2.02 -1.97 -0.59 112.91 116.46 3dwc h THR 258 Ca 0.13 -0.64 -0.14 0.00 0.77 0.00 0.00 66.41 66.53 3dwc h THR 258 Cb 0.36 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3dwc h THR 258 CO 0.01 0.24 -0.39 0.77 0.37 0.00 0.00 175.52 176.51 3dwc h SER 259 N 0.64 0.75 0.63 4.18 4.64 -1.77 -1.76 113.55 120.87 3dwc h SER 259 Ca 0.16 -0.53 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3dwc h SER 259 Cb 0.19 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3dwc h SER 259 CO -0.01 1.14 -0.30 0.25 -0.87 0.00 0.00 176.83 177.03 3dwc h LEU 260 N 0.39 -0.71 -1.45 5.97 6.46 -1.08 -0.90 115.31 123.99 3dwc h LEU 260 Ca 0.02 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 3dwc h LEU 260 Cb 0.99 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 3dwc h LEU 260 CO 0.09 -0.48 0.42 -0.07 -0.62 0.00 0.00 178.44 177.78 3dwc h LEU 261 N -0.89 0.60 -0.70 2.25 3.38 -1.20 -0.61 115.31 118.15 3dwc h LEU 261 Ca -0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3dwc h LEU 261 Cb 0.66 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3dwc h LEU 261 CO 0.14 0.41 0.31 1.23 0.09 0.00 0.00 178.44 180.62 3dwc h GLY 262 N 0.70 1.09 1.49 0.83 0.00 -1.13 -0.49 103.07 105.55 3dwc h GLY 262 Ca 0.26 -0.57 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 3dwc h GLY 262 CO -0.08 0.54 -0.84 -2.08 0.00 0.00 0.00 176.54 174.08 3dwc h VAL 263 N 0.98 1.37 -0.44 4.60 2.07 -0.53 -1.59 116.25 122.71 3dwc h VAL 263 Ca 0.24 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 3dwc h VAL 263 Cb 0.16 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3dwc h VAL 263 CO -0.03 0.68 0.19 0.40 0.02 0.00 0.00 177.57 178.84 3dwc h ILE 264 N 0.30 1.19 0.19 4.57 2.04 -0.94 0.59 117.51 125.46 3dwc h ILE 264 Ca -0.06 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3dwc h ILE 264 Cb 1.45 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3dwc h ILE 264 CO 0.15 0.22 -0.32 -0.74 0.00 0.00 0.00 178.15 177.45 3dwc h HIS 265 N 0.57 -0.88 -0.68 1.37 2.76 -0.85 -0.96 115.15 116.48 3dwc h HIS 265 Ca 0.15 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3dwc h HIS 265 Cb 0.16 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 3dwc h HIS 265 CO -0.00 -0.44 0.32 0.93 -1.30 0.00 0.00 177.93 177.43 3dwc h GLU 266 N -0.59 0.96 -0.24 5.26 4.39 -1.22 -0.96 114.58 122.17 3dwc h GLU 266 Ca 0.01 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3dwc h GLU 266 Cb 0.59 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3dwc h GLU 266 CO -0.14 0.75 0.01 1.15 -1.16 0.00 0.00 179.01 179.62 3dwc h THR 267 N 0.96 1.15 -0.53 1.13 2.02 -0.71 -0.37 112.91 116.55 3dwc h THR 267 Ca 0.23 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 3dwc h THR 267 Cb 0.11 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3dwc h THR 267 CO -0.03 0.19 -0.02 1.23 0.37 0.00 0.00 175.52 177.26 3dwc h GLY 268 N 0.65 1.02 0.79 2.16 0.00 0.21 -0.85 103.07 107.05 3dwc h GLY 268 Ca 0.08 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.67 3dwc h GLY 268 CO 0.00 0.71 0.15 0.45 0.00 0.00 0.00 176.54 177.86 3dwc h HIS 269 N 0.82 0.28 -0.53 5.60 -0.00 -1.18 -3.16 115.15 116.99 3dwc h HIS 269 Ca 0.15 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 3dwc h HIS 269 Cb 0.56 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 3dwc h HIS 269 CO 0.04 0.14 0.15 0.00 -0.00 0.00 0.00 177.93 178.27 3dwc h ALA 270 N 1.20 1.28 -0.26 2.45 0.00 -0.53 -1.17 119.26 122.22 3dwc h ALA 270 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 270 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dwc h ALA 270 CO -0.12 0.51 0.09 0.87 0.00 0.00 0.00 179.25 180.60 3dwc h LYS 271 N 0.77 0.37 -0.01 0.00 1.79 -1.13 0.73 116.57 119.08 3dwc h LYS 271 Ca 0.17 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3dwc h LYS 271 Cb 0.24 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3dwc h LYS 271 CO -0.01 0.32 -0.18 -0.92 -1.08 0.00 0.00 179.45 177.58 3dwc h TYR 272 N 0.37 0.20 -0.54 -1.35 3.20 -1.26 -2.58 116.97 115.01 3dwc h TYR 272 Ca 0.09 -0.10 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3dwc h TYR 272 Cb 0.10 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 3dwc h TYR 272 CO 0.00 0.88 0.22 0.93 -1.64 0.00 0.00 178.16 178.55 3dwc h GLU 273 N -0.53 0.40 0.00 1.82 4.39 -1.18 0.07 114.58 119.55 3dwc h GLU 273 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3dwc h GLU 273 Cb 0.92 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3dwc h GLU 273 CO 0.04 0.27 -0.02 1.96 -1.16 0.00 0.00 179.01 180.09 3dwc h GLN 274 N 0.41 0.00 0.00 2.33 4.20 -0.86 -3.10 115.11 118.09 3dwc h GLN 274 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3dwc h GLN 274 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3dwc h GLN 274 CO -0.25 0.02 -0.04 0.09 -0.67 0.00 0.00 178.83 177.99 3dwc n ASN 275 N -3.14 1.81 -4.69 1.46 3.02 -0.97 -5.02 115.26 107.74 3dwc n ASN 275 Ca -0.00 -2.33 -0.42 0.00 -0.03 0.00 0.00 54.58 51.80 3dwc n ASN 275 Cb 0.25 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3dwc n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dwc n GLY 277 N 3.79 1.87 3.78 0.00 0.00 -0.29 -4.80 105.19 109.54 3dwc n GLY 277 Ca 0.14 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 3dwc n GLY 277 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwc s PRO 278 N -0.74 4.43 0.51 1.61 0.04 -1.21 -3.00 135.00 136.65 3dwc s PRO 278 Ca 0.00 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.20 3dwc s PRO 278 Cb 0.00 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 3dwc s PRO 278 CO 0.00 0.13 1.39 1.17 0.04 0.00 0.00 177.00 179.73 3dwc n LYS 279 N 0.30 1.91 -1.00 4.56 4.81 -1.26 -2.56 118.16 124.93 3dwc n LYS 279 Ca 0.03 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3dwc n LYS 279 Cb 0.50 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3dwc n LYS 279 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dwc n GLY 280 N 0.68 0.46 0.64 3.14 0.00 -1.26 -4.90 105.19 103.96 3dwc n GLY 280 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3dwc n GLY 280 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dwc n PHE 281 N -2.84 0.00 -0.32 1.61 3.01 -1.06 -4.97 117.46 112.89 3dwc n PHE 281 Ca 0.00 -0.69 0.12 0.00 1.01 0.00 0.00 57.45 57.90 3dwc n PHE 281 Cb 0.05 -0.14 0.34 0.00 -0.01 0.00 0.00 39.48 39.73 3dwc n PHE 281 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3dwc h GLU 282 N 0.44 0.73 -0.40 -1.08 3.07 -1.91 0.24 114.58 115.67 3dwc h GLU 282 Ca -0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3dwc h GLU 282 Cb 1.33 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3dwc h GLU 282 CO 0.02 0.48 0.00 0.25 -1.40 0.00 0.00 179.01 178.36 3dwc n THR 283 N -4.65 0.53 -4.17 1.13 -2.24 -1.26 -4.87 114.28 98.75 3dwc n THR 283 Ca 0.20 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 3dwc n THR 283 Cb 0.52 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 3dwc n THR 283 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwc s GLN 284 N -1.47 2.39 0.59 -0.78 -1.52 0.07 -4.04 119.66 114.90 3dwc s GLN 284 Ca 0.33 -0.95 0.36 0.00 -1.95 0.00 0.00 55.36 53.15 3dwc s GLN 284 Cb 0.18 -2.43 1.76 0.00 -0.22 0.00 0.00 33.01 32.30 3dwc s GLN 284 CO 0.24 0.51 2.14 -1.00 -0.25 0.00 0.00 175.29 176.93 3dwc h PRO 285 N 3.31 0.00 0.00 2.91 0.13 -1.90 -1.11 132.00 135.35 3dwc h PRO 285 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3dwc h PRO 285 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3dwc h PRO 285 CO 0.57 0.03 -0.18 -0.24 -0.23 0.00 0.00 178.00 177.94 3dwc h VAL 286 N 0.00 0.83 -2.01 1.56 3.04 -1.87 -3.29 116.25 114.51 3dwc h VAL 286 Ca -0.00 -0.71 -0.77 0.00 -1.01 0.00 0.00 66.70 64.21 3dwc h VAL 286 Cb 0.30 1.42 -0.20 0.00 -2.01 0.00 0.00 31.29 30.81 3dwc h VAL 286 CO 0.00 0.18 1.53 0.00 -1.01 0.00 0.00 177.57 178.27 3dwc s MET 288 N -0.30 1.27 0.27 0.00 0.23 -1.24 -4.81 119.30 114.72 3dwc s MET 288 Ca 0.37 -0.71 -0.30 0.00 -1.03 0.00 0.00 55.69 54.03 3dwc s MET 288 Cb 0.05 0.53 -0.14 0.00 -1.53 0.00 0.00 34.83 33.74 3dwc s MET 288 CO 0.02 -0.53 1.18 0.00 -2.03 0.00 0.00 175.02 173.66 3dwc n ALA 289 N -0.32 0.28 -0.19 3.16 0.00 -1.26 -2.55 120.51 119.63 3dwc n ALA 289 Ca -0.14 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 3dwc n ALA 289 Cb 0.63 -2.13 0.02 0.00 0.00 0.00 0.00 19.45 17.98 3dwc n ALA 289 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dwc h ARG 290 N 2.85 0.79 -2.48 0.00 9.65 -1.97 -3.45 114.38 119.78 3dwc h ARG 290 Ca -0.43 -0.11 0.12 0.00 -1.10 0.00 0.00 59.98 58.46 3dwc h ARG 290 Cb 1.31 -0.14 -0.10 0.00 -1.39 0.00 0.00 29.97 29.65 3dwc h ARG 290 CO 0.66 0.64 0.43 -1.54 2.80 0.00 0.00 179.97 182.96 3dwc s SER 291 N -5.93 -0.29 0.42 -3.80 1.04 -1.26 -4.67 113.70 99.21 3dwc s SER 291 Ca -0.13 -0.26 0.16 0.00 0.48 0.00 0.00 55.95 56.20 3dwc s SER 291 Cb 0.12 0.50 0.91 0.00 0.10 0.00 0.00 66.02 67.65 3dwc s SER 291 CO 0.77 -0.88 1.91 -0.07 0.98 0.00 0.00 173.24 175.95 3dwc h LEU 292 N 2.00 0.00 0.08 2.42 3.38 -1.78 0.23 115.31 121.64 3dwc h LEU 292 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dwc h LEU 292 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3dwc h LEU 292 CO 0.28 0.28 -0.04 1.23 0.09 0.00 0.00 178.44 180.28 3dwc h GLY 293 N 0.94 -0.11 1.09 0.83 0.00 -1.79 0.16 103.07 104.19 3dwc h GLY 293 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3dwc h GLY 293 CO 0.04 -0.04 0.53 -2.08 0.00 0.00 0.00 176.54 174.99 3dwc h VAL 294 N -0.47 1.25 0.16 4.60 2.07 -1.86 0.71 116.25 122.71 3dwc h VAL 294 Ca -0.01 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3dwc h VAL 294 Cb 0.40 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3dwc h VAL 294 CO 0.02 0.26 -0.08 -0.74 0.02 0.00 0.00 177.57 177.05 3dwc h HIS 295 N 1.23 -0.20 0.00 1.57 6.17 -0.83 -2.34 115.15 120.75 3dwc h HIS 295 Ca 0.32 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.38 3dwc h HIS 295 Cb -0.05 0.07 -0.00 0.00 2.52 0.00 0.00 27.41 29.94 3dwc h HIS 295 CO 0.01 0.13 -0.06 1.49 0.71 0.00 0.00 177.93 180.20 3dwc h GLU 296 N -0.53 0.00 0.00 5.26 4.57 -0.67 -0.24 114.58 122.97 3dwc h GLU 296 Ca -0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 3dwc h GLU 296 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3dwc h GLU 296 CO 0.04 0.06 -0.25 0.78 -1.18 0.00 0.00 179.01 178.46 3dwc h GLY 297 N 0.57 0.00 0.90 1.92 0.00 -0.34 -0.40 103.07 105.73 3dwc h GLY 297 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 3dwc h GLY 297 CO 0.01 0.00 -0.84 1.46 0.00 0.00 0.00 176.54 177.17 3dwc h GLN 298 N 0.00 0.46 -0.26 4.80 1.08 -0.59 -1.87 115.11 118.73 3dwc h GLN 298 Ca -0.00 -0.58 -0.03 0.00 -1.45 0.00 0.00 58.65 56.60 3dwc h GLN 298 Cb 0.46 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 3dwc h GLN 298 CO 0.03 1.22 0.06 0.66 -0.95 0.00 0.00 178.83 179.85 3dwc h SER 299 N -0.03 0.39 1.15 1.46 4.64 -1.35 -2.77 113.55 117.04 3dwc h SER 299 Ca -0.12 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 3dwc h SER 299 Cb 1.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 3dwc h SER 299 CO 0.16 0.53 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.24 3dwc h LEU 300 N 0.24 0.00 -0.23 5.97 3.38 -1.18 0.11 115.31 123.60 3dwc h LEU 300 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dwc h LEU 300 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dwc h LEU 300 CO 0.00 0.34 0.14 0.15 0.09 0.00 0.00 178.44 179.16 3dwc h PHE 301 N 0.00 0.31 0.53 1.13 3.57 -1.30 0.29 116.94 121.47 3dwc h PHE 301 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3dwc h PHE 301 Cb 1.00 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.65 3dwc h PHE 301 CO 0.00 0.24 -0.26 0.00 -2.23 0.00 0.00 178.31 176.07 3dwc h ALA 302 N 1.04 -0.71 0.02 2.41 0.00 -1.14 -1.84 119.26 119.03 3dwc h ALA 302 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3dwc h ALA 302 Cb 0.03 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dwc h ALA 302 CO -0.02 -0.89 -0.23 1.49 0.00 0.00 0.00 179.25 179.60 3dwc h GLU 303 N -0.73 0.12 0.00 0.00 4.81 -0.74 0.42 114.58 118.47 3dwc h GLU 303 Ca -0.07 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 3dwc h GLU 303 Cb 0.56 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3dwc h GLU 303 CO 0.12 0.97 -0.67 0.52 -0.73 0.00 0.00 179.01 179.23 3dwc h MET 304 N -0.66 0.00 -0.67 1.92 2.86 -0.60 -0.01 114.93 117.78 3dwc h MET 304 Ca -0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3dwc h MET 304 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3dwc h MET 304 CO 0.04 0.54 0.16 1.96 1.06 0.00 0.00 176.91 180.67 3dwc h GLN 305 N -1.00 1.07 0.00 1.72 1.08 -1.14 -3.20 115.11 113.64 3dwc h GLN 305 Ca -0.14 -0.26 -0.20 0.00 -1.45 0.00 0.00 58.65 56.60 3dwc h GLN 305 Cb 0.82 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3dwc h GLN 305 CO -0.08 0.96 -1.63 -0.89 -0.95 0.00 0.00 178.83 176.23 3dwc n ILE 306 N -4.28 1.46 0.03 2.54 5.41 -0.71 -4.48 119.36 119.33 3dwc n ILE 306 Ca 0.04 -0.08 0.04 0.00 1.00 0.00 0.00 62.75 63.75 3dwc n ILE 306 Cb 0.26 -2.09 0.43 0.00 -0.71 0.00 0.00 39.64 37.53 3dwc n ILE 306 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dwc h GLY 307 N -0.93 0.52 -3.01 7.39 0.00 -0.35 -1.52 103.07 105.16 3dwc h GLY 307 Ca -0.30 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3dwc h GLY 307 CO -0.18 0.20 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3dwc n ARG 308 N -4.46 3.94 -2.87 4.80 1.74 -0.07 -4.84 116.66 114.90 3dwc n ARG 308 Ca 0.02 -2.93 -0.32 0.00 -0.77 0.00 0.00 57.85 53.85 3dwc n ARG 308 Cb 0.08 -1.96 -0.05 0.00 -1.02 0.00 0.00 32.46 29.50 3dwc n ARG 308 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dwc s SER 309 N -0.97 6.74 0.38 0.55 1.04 -0.57 -4.81 113.70 116.06 3dwc s SER 309 Ca 0.51 1.41 0.11 0.00 0.48 0.00 0.00 55.95 58.46 3dwc s SER 309 Cb 0.34 -2.43 0.90 0.00 0.10 0.00 0.00 66.02 64.93 3dwc s SER 309 CO 0.21 -0.35 1.88 1.23 0.98 0.00 0.00 173.24 177.19 3dwc h GLY 310 N 1.74 1.07 1.06 7.32 0.00 -1.94 -2.29 103.07 110.03 3dwc h GLY 310 Ca -0.48 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3dwc h GLY 310 CO 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 176.54 177.22 3dwc h ALA 311 N 1.61 0.76 -0.06 3.60 0.00 -1.93 -2.59 119.26 120.66 3dwc h ALA 311 Ca 0.44 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dwc h ALA 311 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3dwc h ALA 311 CO -0.19 0.61 -0.23 0.35 0.00 0.00 0.00 179.25 179.79 3dwc h PHE 312 N 0.89 0.10 -0.09 0.00 3.57 -1.64 -2.49 116.94 117.28 3dwc h PHE 312 Ca 0.16 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3dwc h PHE 312 Cb 0.57 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3dwc h PHE 312 CO 0.04 0.32 -0.14 0.52 -2.23 0.00 0.00 178.31 176.82 3dwc h MET 313 N 0.09 0.15 -0.37 1.11 2.86 -1.10 0.50 114.93 118.16 3dwc h MET 313 Ca 0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 3dwc h MET 313 Cb 0.46 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3dwc h MET 313 CO 0.03 0.30 -0.26 0.93 1.06 0.00 0.00 176.91 178.96 3dwc h GLU 314 N 0.14 0.76 -0.01 1.72 5.08 -1.34 -0.89 114.58 120.04 3dwc h GLU 314 Ca 0.03 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 57.87 3dwc h GLU 314 Cb 0.35 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.59 3dwc h GLU 314 CO 0.02 0.94 -0.72 0.35 -1.00 0.00 0.00 179.01 178.60 3dwc h PHE 315 N 0.66 0.75 -0.14 4.33 3.57 -1.23 -3.38 116.94 121.49 3dwc h PHE 315 Ca 0.08 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.18 3dwc h PHE 315 Cb 0.78 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3dwc h PHE 315 CO 0.04 1.22 0.07 1.25 -2.23 0.00 0.00 178.31 178.66 3dwc h LEU 316 N 0.06 0.18 -0.26 0.59 5.85 0.13 -3.29 115.31 118.58 3dwc h LEU 316 Ca -0.09 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3dwc h LEU 316 Cb 1.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3dwc h LEU 316 CO 0.14 0.25 -0.10 0.00 -0.34 0.00 0.00 178.44 178.40 3dwc h ALA 317 N 0.93 0.13 0.00 1.25 0.00 -1.34 0.24 119.26 120.46 3dwc h ALA 317 Ca 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dwc h ALA 317 Cb 0.12 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dwc h ALA 317 CO -0.01 -0.50 -0.08 -1.35 0.00 0.00 0.00 179.25 177.31 3dwc h PRO 318 N -0.05 0.00 -0.15 0.00 0.11 -1.77 -2.44 132.00 127.71 3dwc h PRO 318 Ca 0.13 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.08 3dwc h PRO 318 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3dwc h PRO 318 CO -0.29 0.08 -0.58 0.00 -0.21 0.00 0.00 178.00 177.00 3dwc h ARG 319 N 0.00 0.47 -0.76 1.05 2.47 -0.69 -2.07 114.38 114.85 3dwc h ARG 319 Ca -0.00 -0.31 -0.05 0.00 -1.26 0.00 0.00 59.98 58.36 3dwc h ARG 319 Cb 0.17 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3dwc h ARG 319 CO 0.01 0.92 0.30 -0.07 0.56 0.00 0.00 179.97 181.68 3dwc h LEU 320 N 0.36 1.05 -0.47 3.04 3.38 -0.59 -0.50 115.31 121.58 3dwc h LEU 320 Ca 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3dwc h LEU 320 Cb 1.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3dwc h LEU 320 CO 0.10 0.93 0.20 0.58 0.09 0.00 0.00 178.44 180.35 3dwc h VAL 321 N 1.11 1.20 -0.53 1.22 2.07 -1.38 -0.53 116.25 119.41 3dwc h VAL 321 Ca 0.25 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 3dwc h VAL 321 Cb 0.22 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3dwc h VAL 321 CO -0.02 0.23 0.05 -0.08 0.02 0.00 0.00 177.57 177.76 3dwc h GLU 322 N 0.61 0.91 0.07 1.57 4.81 -1.08 0.20 114.58 121.68 3dwc h GLU 322 Ca 0.16 -0.27 -0.31 0.00 -0.13 0.00 0.00 59.36 58.82 3dwc h GLU 322 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3dwc h GLU 322 CO -0.02 0.91 -1.65 1.88 -0.73 0.00 0.00 179.01 179.40 3dwc h TYR 323 N 0.79 0.28 0.00 0.92 0.05 -1.01 -3.40 116.97 114.61 3dwc h TYR 323 Ca 0.16 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3dwc h TYR 323 Cb 0.46 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3dwc h TYR 323 CO 0.03 1.32 -0.27 1.19 -1.05 0.00 0.00 178.16 179.38 3dwc n PHE 324 N -3.32 0.00 0.00 4.88 3.72 -0.21 -4.95 117.46 117.58 3dwc n PHE 324 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3dwc n PHE 324 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 3dwc n PHE 324 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dwc n GLY 325 N 1.20 0.08 3.78 1.37 0.00 0.70 -5.01 105.19 107.31 3dwc n GLY 325 Ca 0.01 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 3dwc n GLY 325 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dwc s ASP 326 N -1.36 6.50 0.13 1.61 3.68 -1.25 -4.51 116.67 121.48 3dwc s ASP 326 Ca 0.00 2.07 -0.19 0.00 2.13 0.00 0.00 52.55 56.55 3dwc s ASP 326 Cb 0.00 -2.58 0.05 0.00 -1.45 0.00 0.00 42.92 38.94 3dwc s ASP 326 CO 0.00 -0.67 0.49 0.00 0.13 0.00 0.00 175.17 175.12 3dwc s GLN 327 N -2.75 1.14 0.40 4.34 -2.07 -1.26 -5.05 119.66 114.42 3dwc s GLN 327 Ca 0.62 -0.56 0.19 0.00 -1.82 0.00 0.00 55.36 53.79 3dwc s GLN 327 Cb -0.22 0.52 1.13 0.00 -1.09 0.00 0.00 33.01 33.35 3dwc s GLN 327 CO 0.27 -0.47 1.77 -1.35 -1.32 0.00 0.00 175.29 174.19 3dwc h PRO 328 N 2.28 0.36 0.00 9.60 0.11 -1.99 -0.94 132.00 141.41 3dwc h PRO 328 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3dwc h PRO 328 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dwc h PRO 328 CO 0.43 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3dwc h ALA 329 N 1.62 1.00 -0.77 -0.75 0.00 -1.89 -3.38 119.26 115.09 3dwc h ALA 329 Ca 0.60 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.76 3dwc h ALA 329 Cb 1.57 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 3dwc h ALA 329 CO -0.29 0.00 2.24 1.19 0.00 0.00 0.00 179.25 182.38 3dwc n PHE 330 N -3.03 2.70 -4.41 0.00 3.72 -0.36 -4.09 117.46 111.99 3dwc n PHE 330 Ca -0.02 -2.80 -0.21 0.00 -0.05 0.00 0.00 57.45 54.36 3dwc n PHE 330 Cb 0.12 -1.85 -0.10 0.00 -0.94 0.00 0.00 39.48 36.70 3dwc n PHE 330 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3dwc s THR 331 N -0.68 2.11 0.12 4.37 -4.23 -1.26 -4.79 115.64 111.28 3dwc s THR 331 Ca 0.48 -2.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.53 3dwc s THR 331 Cb 0.15 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3dwc s THR 331 CO -0.05 -0.49 1.59 0.77 -0.54 0.00 0.00 174.62 175.90 3dwc h SER 332 N 2.40 0.60 -0.19 3.99 4.64 -1.90 -1.30 113.55 121.79 3dwc h SER 332 Ca -0.39 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 60.70 3dwc h SER 332 Cb 1.24 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3dwc h SER 332 CO 0.61 0.72 -0.07 0.28 -0.87 0.00 0.00 176.83 177.50 3dwc h SER 333 N 0.46 -0.25 -0.20 4.97 0.02 -1.95 -1.76 113.55 114.83 3dwc h SER 333 Ca 0.11 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3dwc h SER 333 Cb 0.39 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3dwc h SER 333 CO 0.01 -0.10 -0.09 -1.13 -1.14 0.00 0.00 176.83 174.38 3dwc h ASN 334 N -0.04 0.43 -0.55 3.07 -1.24 -1.83 -2.81 115.58 112.61 3dwc h ASN 334 Ca 0.10 -0.40 -0.01 0.00 0.71 0.00 0.00 56.30 56.69 3dwc h ASN 334 Cb 0.19 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 3dwc h ASN 334 CO -0.22 0.74 0.31 0.24 -1.29 0.00 0.00 177.43 177.21 3dwc h MET 335 N 0.13 0.78 -0.55 6.67 2.86 -1.18 0.30 114.93 123.94 3dwc h MET 335 Ca 0.05 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3dwc h MET 335 Cb 0.57 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 3dwc h MET 335 CO 0.03 0.58 0.21 -0.22 1.06 0.00 0.00 176.91 178.57 3dwc h LYS 336 N 0.79 0.39 -0.78 1.72 3.64 -1.29 0.13 116.57 121.18 3dwc h LYS 336 Ca 0.20 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3dwc h LYS 336 Cb 0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3dwc h LYS 336 CO -0.03 0.26 0.31 0.00 -2.27 0.00 0.00 179.45 177.71 3dwc h ARG 337 N 0.40 1.16 -0.04 1.90 3.08 -0.74 0.47 114.38 120.61 3dwc h ARG 337 Ca 0.27 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3dwc h ARG 337 Cb 0.29 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dwc h ARG 337 CO -0.26 0.94 -0.01 0.28 -1.07 0.00 0.00 179.97 179.85 3dwc h VAL 338 N 1.13 1.28 0.00 2.04 2.07 -0.81 -2.92 116.25 119.03 3dwc h VAL 338 Ca 0.26 -0.86 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 3dwc h VAL 338 Cb 0.21 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3dwc h VAL 338 CO -0.02 0.23 -0.70 0.40 0.02 0.00 0.00 177.57 177.50 3dwc h ILE 339 N -0.26 1.35 -0.43 4.57 1.08 -0.48 -2.74 117.51 120.59 3dwc h ILE 339 Ca 0.01 -2.52 0.00 0.00 -0.39 0.00 0.00 64.86 61.96 3dwc h ILE 339 Cb 0.38 2.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 3dwc h ILE 339 CO 0.00 0.68 0.00 0.00 -0.69 0.00 0.00 178.15 178.15 3dwc n GLN 340 N -3.48 3.33 -1.99 2.37 6.02 0.13 -4.96 117.38 118.81 3dwc n GLN 340 Ca 0.00 -2.11 -0.41 0.00 -0.01 0.00 0.00 57.00 54.47 3dwc n GLN 340 Cb 0.74 -1.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 3dwc n GLN 340 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3dwc s ARG 341 N -1.99 4.25 -0.22 -1.09 1.70 -1.04 -4.99 118.95 115.58 3dwc s ARG 341 Ca 0.37 2.36 -0.03 0.00 -0.47 0.00 0.00 55.73 57.97 3dwc s ARG 341 Cb 0.26 -3.03 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 3dwc s ARG 341 CO 0.14 -0.33 -0.06 0.08 -1.08 0.00 0.00 175.30 174.05 3dwc s VAL 342 N -1.10 3.11 -0.29 4.99 1.01 -1.26 -4.77 120.40 122.09 3dwc s VAL 342 Ca 0.51 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3dwc s VAL 342 Cb -0.43 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.68 3dwc s VAL 342 CO 0.57 0.38 0.43 -0.55 0.00 0.00 0.00 175.10 175.93 3dwc s SER 343 N 1.42 0.18 0.44 3.32 0.15 -1.26 -5.04 113.70 112.91 3dwc s SER 343 Ca 0.04 -0.31 -0.25 0.00 0.70 0.00 0.00 55.95 56.13 3dwc s SER 343 Cb -0.15 1.20 -0.09 0.00 -1.71 0.00 0.00 66.02 65.28 3dwc s SER 343 CO -0.05 -0.35 1.42 -2.65 1.20 0.00 0.00 173.24 172.82 3dwc n PRO 344 N 5.36 2.25 -3.87 5.44 -0.02 -1.26 -4.76 135.00 138.14 3dwc n PRO 344 Ca 0.01 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3dwc n PRO 344 Cb 0.50 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3dwc n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwc n GLY 345 N 0.59 2.25 0.07 -1.23 0.00 -1.26 -5.07 105.19 100.54 3dwc n GLY 345 Ca 0.05 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 3dwc n GLY 345 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwc h LEU 346 N 0.00 0.00 -8.81 0.99 3.38 -1.95 -3.45 115.31 105.47 3dwc h LEU 346 Ca -0.25 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.06 3dwc h LEU 346 Cb 1.12 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 3dwc h LEU 346 CO 0.34 0.92 -0.40 -0.63 0.09 0.00 0.00 178.44 178.76 3dwc s ILE 347 N -2.79 5.25 0.18 1.22 -1.09 -1.26 -4.82 121.20 117.88 3dwc s ILE 347 Ca 0.01 0.09 -0.13 0.00 -2.23 0.00 0.00 60.65 58.39 3dwc s ILE 347 Cb 0.10 -3.69 0.08 0.00 -1.58 0.00 0.00 42.46 37.37 3dwc s ILE 347 CO 0.81 0.07 1.81 -0.09 -1.23 0.00 0.00 174.94 176.31 3dwc h ARG 348 N 8.40 0.58 0.00 2.79 2.43 -1.96 -2.21 114.38 124.41 3dwc h ARG 348 Ca -0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3dwc h ARG 348 Cb 1.16 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3dwc h ARG 348 CO 0.63 0.38 -0.06 0.82 -1.51 0.00 0.00 179.97 180.23 3dwc h ILE 349 N 0.60 0.45 -0.26 1.20 2.04 -2.00 -1.16 117.51 118.39 3dwc h ILE 349 Ca 0.22 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3dwc h ILE 349 Cb 0.06 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dwc h ILE 349 CO -0.12 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.57 3dwc n ASP 350 N -3.60 2.62 -4.76 1.72 8.00 -0.85 -4.98 116.55 114.71 3dwc n ASP 350 Ca -0.02 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.22 3dwc n ASP 350 Cb 0.17 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3dwc n ASP 350 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwc s ALA 351 N -1.67 3.31 1.11 2.24 0.00 -0.44 -5.02 121.76 121.28 3dwc s ALA 351 Ca 0.35 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 3dwc s ALA 351 Cb 0.20 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 20.33 3dwc s ALA 351 CO 0.29 0.07 1.06 0.16 0.00 0.00 0.00 175.76 177.34 3dwc s ASP 352 N -1.22 1.62 0.42 0.00 -4.77 -1.26 -4.64 116.67 106.83 3dwc s ASP 352 Ca 0.45 1.20 0.11 0.00 -3.30 0.00 0.00 52.55 51.01 3dwc s ASP 352 Cb -0.26 -1.87 0.96 0.00 -1.09 0.00 0.00 42.92 40.66 3dwc s ASP 352 CO 0.32 -3.76 2.02 -0.08 0.70 0.00 0.00 175.17 174.37 3dwc h GLU 353 N -2.32 0.46 0.15 2.11 4.81 -1.93 -0.32 114.58 117.54 3dwc h GLU 353 Ca -0.56 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.33 3dwc h GLU 353 Cb 1.33 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.62 3dwc h GLU 353 CO 0.52 0.30 -1.50 1.25 -0.73 0.00 0.00 179.01 178.86 3dwc h LEU 354 N 0.47 0.50 0.16 1.64 5.85 -1.92 -3.37 115.31 118.64 3dwc h LEU 354 Ca 0.22 -0.64 -0.30 0.00 0.84 0.00 0.00 57.88 58.00 3dwc h LEU 354 Cb 0.26 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.14 3dwc h LEU 354 CO -0.06 1.52 -1.39 0.00 -0.34 0.00 0.00 178.44 178.18 3dwc h TYR 356 N 0.09 -0.91 -0.08 0.00 3.20 -1.23 0.31 116.97 118.35 3dwc h TYR 356 Ca -0.20 0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.79 3dwc h TYR 356 Cb 2.04 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 40.83 3dwc h TYR 356 CO 0.08 -0.39 0.06 -1.00 -1.64 0.00 0.00 178.16 175.27 3dwc h PRO 357 N -0.05 0.00 -0.66 1.82 0.13 -1.78 -1.39 132.00 130.07 3dwc h PRO 357 Ca 0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.39 3dwc h PRO 357 Cb 0.59 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 3dwc h PRO 357 CO -0.88 0.00 0.14 -0.07 -0.23 0.00 0.00 178.00 176.96 3dwc h LEU 358 N 0.00 1.00 -0.52 1.56 3.38 -1.16 0.16 115.31 119.74 3dwc h LEU 358 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3dwc h LEU 358 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3dwc h LEU 358 CO -0.00 0.98 0.26 0.45 0.09 0.00 0.00 178.44 180.22 3dwc h HIS 359 N 1.00 0.73 -0.34 1.13 3.86 -1.17 -2.41 115.15 117.95 3dwc h HIS 359 Ca 0.21 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3dwc h HIS 359 Cb 0.38 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3dwc h HIS 359 CO 0.03 0.56 0.10 0.28 0.86 0.00 0.00 177.93 179.76 3dwc h VAL 360 N 0.69 1.21 -0.78 2.45 2.07 -1.15 -3.05 116.25 117.70 3dwc h VAL 360 Ca 0.18 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3dwc h VAL 360 Cb 0.09 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3dwc h VAL 360 CO -0.03 0.24 0.48 -0.03 0.02 0.00 0.00 177.57 178.25 3dwc h MET 361 N 0.39 1.05 -0.66 1.57 -1.53 -0.77 -1.68 114.93 113.30 3dwc h MET 361 Ca 0.11 -0.09 -0.08 0.00 -3.44 0.00 0.00 59.70 56.20 3dwc h MET 361 Cb 0.26 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.06 3dwc h MET 361 CO -0.00 0.73 0.12 1.37 0.14 0.00 0.00 176.91 179.27 3dwc h LEU 362 N 1.07 1.03 -0.38 3.39 8.10 -1.43 -1.30 115.31 125.79 3dwc h LEU 362 Ca 0.28 -0.24 -0.02 0.00 0.11 0.00 0.00 57.88 58.01 3dwc h LEU 362 Cb -0.06 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 39.87 3dwc h LEU 362 CO -0.05 1.02 0.17 0.03 -4.11 0.00 0.00 178.44 175.49 3dwc h ARG 363 N 1.02 0.55 -0.40 0.17 3.08 -1.39 -0.37 114.38 117.04 3dwc h ARG 363 Ca 0.20 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.22 3dwc h ARG 363 Cb 0.42 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 3dwc h ARG 363 CO 0.01 0.51 0.07 -0.92 -1.07 0.00 0.00 179.97 178.58 3dwc h TYR 364 N 0.47 0.12 -0.58 3.04 5.03 -1.12 0.04 116.97 123.97 3dwc h TYR 364 Ca 0.13 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.40 3dwc h TYR 364 Cb 0.15 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 3dwc h TYR 364 CO -0.01 0.01 0.10 0.93 -1.32 0.00 0.00 178.16 177.87 3dwc h GLU 365 N 0.20 0.94 -0.28 1.82 5.08 -1.00 -0.11 114.58 121.23 3dwc h GLU 365 Ca 0.19 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3dwc h GLU 365 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3dwc h GLU 365 CO -0.26 0.87 -0.14 0.82 -1.00 0.00 0.00 179.01 179.30 3dwc h ILE 366 N 0.89 1.30 -0.40 3.13 2.04 -0.64 -1.72 117.51 122.10 3dwc h ILE 366 Ca 0.18 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3dwc h ILE 366 Cb 0.39 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3dwc h ILE 366 CO 0.01 0.39 0.17 -0.33 0.00 0.00 0.00 178.15 178.39 3dwc h GLU 367 N 0.33 0.59 0.12 2.37 5.08 -0.81 -0.87 114.58 121.38 3dwc h GLU 367 Ca 0.06 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dwc h GLU 367 Cb 0.66 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3dwc h GLU 367 CO 0.04 0.54 -0.22 0.00 -1.00 0.00 0.00 179.01 178.37 3dwc h ARG 368 N 0.50 -0.40 -0.55 2.33 3.08 -0.98 -0.84 114.38 117.51 3dwc h ARG 368 Ca 0.13 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3dwc h ARG 368 Cb 0.16 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3dwc h ARG 368 CO -0.01 -0.27 0.36 -0.44 -1.07 0.00 0.00 179.97 178.54 3dwc h ASP 369 N -0.42 0.61 -0.06 7.04 3.32 -1.26 0.42 116.42 126.08 3dwc h ASP 369 Ca 0.03 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3dwc h ASP 369 Cb 0.44 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3dwc h ASP 369 CO -0.12 0.44 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.75 3dwc h LEU 370 N 0.73 -0.06 -1.13 1.55 3.38 -1.10 -0.38 115.31 118.30 3dwc h LEU 370 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dwc h LEU 370 Cb -0.06 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3dwc h LEU 370 CO -0.05 -0.02 0.39 -0.03 0.09 0.00 0.00 178.44 178.82 3dwc h MET 371 N -0.00 0.99 0.00 1.13 4.05 -0.80 -0.56 114.93 119.74 3dwc h MET 371 Ca 0.03 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3dwc h MET 371 Cb 0.05 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.65 3dwc h MET 371 CO -0.06 0.73 0.00 -0.44 0.23 0.00 0.00 176.91 177.37 3dwc h ASP 372 N 1.00 0.00 -0.08 1.39 3.45 -0.76 -3.48 116.42 117.94 3dwc h ASP 372 Ca 0.25 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.68 3dwc h ASP 372 Cb 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3dwc h ASP 372 CO -0.04 0.00 -0.03 0.61 -1.57 0.00 0.00 179.24 178.21 3dwc n GLY 373 N 0.13 0.51 0.21 2.75 0.00 -0.22 -4.94 105.19 103.62 3dwc n GLY 373 Ca 0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 3dwc n GLY 373 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwc h ASN 374 N 0.00 0.33 -4.10 1.61 2.35 -1.38 -3.45 115.58 110.94 3dwc h ASN 374 Ca -0.03 -0.14 -0.31 0.00 -0.55 0.00 0.00 56.30 55.27 3dwc h ASN 374 Cb 0.11 -0.09 -0.15 0.00 0.05 0.00 0.00 38.32 38.24 3dwc h ASN 374 CO 0.05 0.70 -0.71 0.27 -1.65 0.00 0.00 177.43 176.09 3dwc s ILE 375 N -4.19 1.07 0.40 2.81 -4.36 -1.21 -5.02 121.20 110.71 3dwc s ILE 375 Ca -0.05 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.38 3dwc s ILE 375 Cb 0.13 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 3dwc s ILE 375 CO 0.78 -0.77 0.29 -1.61 0.24 0.00 0.00 174.94 173.87 3dwc s GLU 376 N -3.75 2.43 0.20 0.37 0.41 -1.26 -4.25 118.70 112.84 3dwc s GLU 376 Ca 0.16 -1.63 -0.21 0.00 -0.41 0.00 0.00 54.97 52.88 3dwc s GLU 376 Cb 0.03 -2.23 0.14 0.00 -1.78 0.00 0.00 34.13 30.29 3dwc s GLU 376 CO -0.01 -0.13 1.58 0.00 -0.49 0.00 0.00 175.26 176.21 3dwc h ALA 377 N 1.21 -0.03 0.00 5.21 0.00 -1.96 -0.72 119.26 122.98 3dwc h ALA 377 Ca -0.42 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3dwc h ALA 377 Cb 1.26 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.92 3dwc h ALA 377 CO 0.62 -0.68 0.00 -0.85 0.00 0.00 0.00 179.25 178.34 3dwc n GLU 378 N -5.44 0.11 0.00 0.00 0.00 -1.26 -1.06 120.64 112.99 3dwc n GLU 378 Ca 0.05 0.56 0.14 0.00 0.00 0.00 0.00 57.16 57.91 3dwc n GLU 378 Cb 0.36 -1.82 0.52 0.00 0.00 0.00 0.00 31.44 30.51 3dwc n GLU 378 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3dwc n GLU 379 N -2.04 1.39 -0.19 3.44 1.02 -0.28 -4.44 120.64 119.55 3dwc n GLU 379 Ca -0.00 -0.77 -0.08 0.00 -0.02 0.00 0.00 57.16 56.29 3dwc n GLU 379 Cb 0.06 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3dwc n GLU 379 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dwc h VAL 380 N 1.87 1.24 -0.65 2.62 2.07 -1.17 -2.35 116.25 119.89 3dwc h VAL 380 Ca 0.00 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3dwc h VAL 380 Cb 0.46 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3dwc h VAL 380 CO 0.00 0.31 0.36 -0.65 0.02 0.00 0.00 177.57 177.61 3dwc h PRO 381 N 0.77 0.90 -0.02 1.57 0.11 -1.80 -0.07 132.00 133.45 3dwc h PRO 381 Ca 0.17 -0.10 0.02 0.00 0.11 0.00 0.00 66.00 66.20 3dwc h PRO 381 Cb 0.33 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3dwc h PRO 381 CO 0.00 0.67 -0.12 -0.09 -0.21 0.00 0.00 178.00 178.25 3dwc h ARG 382 N 0.88 -0.19 -0.25 1.05 2.43 -1.82 -1.88 114.38 114.60 3dwc h ARG 382 Ca 0.23 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 3dwc h ARG 382 Cb 0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3dwc h ARG 382 CO -0.04 -0.13 -0.41 0.28 -1.51 0.00 0.00 179.97 178.16 3dwc h VAL 383 N -0.20 1.30 -0.21 0.20 2.07 -1.29 -1.52 116.25 116.60 3dwc h VAL 383 Ca 0.05 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.02 3dwc h VAL 383 Cb 0.27 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 3dwc h VAL 383 CO -0.14 0.50 -0.03 -0.25 0.02 0.00 0.00 177.57 177.67 3dwc h TRP 384 N 0.49 -0.06 -0.34 1.57 2.91 -0.90 -0.75 115.95 118.86 3dwc h TRP 384 Ca 0.04 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.08 3dwc h TRP 384 Cb 0.93 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.62 3dwc h TRP 384 CO 0.04 -0.06 0.21 -0.97 -1.03 0.00 0.00 178.44 176.63 3dwc h ASN 385 N 0.03 0.36 -0.81 2.65 -1.24 -1.09 0.33 115.58 115.81 3dwc h ASN 385 Ca 0.10 -0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.14 3dwc h ASN 385 Cb 0.14 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.05 3dwc h ASN 385 CO -0.19 0.26 0.51 -0.33 -1.29 0.00 0.00 177.43 176.39 3dwc h GLU 386 N 0.43 0.94 -0.02 6.67 5.08 -1.07 -1.87 114.58 124.76 3dwc h GLU 386 Ca 0.13 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 3dwc h GLU 386 Cb -0.03 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.02 3dwc h GLU 386 CO -0.04 0.63 -0.98 0.87 -1.00 0.00 0.00 179.01 178.48 3dwc h LYS 387 N 0.97 0.63 -0.66 2.33 1.57 -0.76 -1.52 116.57 119.13 3dwc h LYS 387 Ca 0.33 -0.65 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3dwc h LYS 387 Cb 0.06 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3dwc h LYS 387 CO -0.13 1.25 0.40 0.52 -0.57 0.00 0.00 179.45 180.92 3dwc h MET 388 N 0.37 0.76 -0.28 3.15 2.86 -0.80 -0.05 114.93 120.94 3dwc h MET 388 Ca -0.11 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 3dwc h MET 388 Cb 1.62 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 3dwc h MET 388 CO 0.19 0.50 -0.06 0.87 1.06 0.00 0.00 176.91 179.47 3dwc h LYS 389 N 0.78 0.53 -0.03 1.72 1.57 -0.30 0.37 116.57 121.21 3dwc h LYS 389 Ca 0.27 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dwc h LYS 389 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3dwc h LYS 389 CO -0.12 0.73 0.01 1.03 -0.57 0.00 0.00 179.45 180.53 3dwc h SER 390 N 0.29 0.04 0.14 0.86 0.87 -1.06 -2.13 113.55 112.55 3dwc h SER 390 Ca 0.07 -0.15 -0.32 0.00 -1.23 0.00 0.00 61.79 60.16 3dwc h SER 390 Cb 0.53 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3dwc h SER 390 CO 0.03 0.17 -1.67 1.88 -0.53 0.00 0.00 176.83 176.71 3dwc h TYR 391 N -0.10 0.52 -0.01 2.24 0.05 -1.01 -3.40 116.97 115.27 3dwc h TYR 391 Ca 0.01 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.41 3dwc h TYR 391 Cb 0.15 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.87 3dwc h TYR 391 CO -0.03 1.66 -0.14 1.28 -1.05 0.00 0.00 178.16 179.88 3dwc n LEU 392 N -3.73 1.19 -0.93 3.88 4.77 0.06 -4.71 117.00 117.53 3dwc n LEU 392 Ca -0.27 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 54.80 3dwc n LEU 392 Cb 0.98 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.04 3dwc n LEU 392 CO 0.44 0.24 -0.11 0.61 -1.33 0.00 0.00 177.39 177.24 3dwc n GLY 393 N 0.75 0.76 3.32 -0.72 0.00 -0.80 -4.91 105.19 103.59 3dwc n GLY 393 Ca 0.04 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 3dwc n GLY 393 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwc s LEU 394 N -2.59 2.52 0.09 0.99 1.43 -1.17 -4.92 118.68 115.04 3dwc s LEU 394 Ca 0.00 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.21 3dwc s LEU 394 Cb 0.00 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 3dwc s LEU 394 CO 0.00 -0.17 -0.17 -1.61 0.23 0.00 0.00 176.35 174.63 3dwc s GLU 395 N -3.43 1.92 0.00 1.70 2.02 -1.26 -1.21 118.70 118.44 3dwc s GLU 395 Ca 0.19 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3dwc s GLU 395 Cb -0.01 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3dwc s GLU 395 CO 0.05 0.50 0.33 0.25 0.02 0.00 0.00 175.26 176.42 3dwc n THR 396 N 0.98 0.00 -1.74 3.63 -2.24 -1.26 -5.00 114.28 108.64 3dwc n THR 396 Ca -0.15 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 3dwc n THR 396 Cb 0.52 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 3dwc n THR 396 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3dwc s LEU 397 N -0.30 4.41 0.00 3.22 0.20 -1.26 -0.23 118.68 124.72 3dwc s LEU 397 Ca 0.00 2.61 0.00 0.00 0.69 0.00 0.00 54.13 57.43 3dwc s LEU 397 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 3dwc s LEU 397 CO 0.00 -1.02 0.00 0.61 -0.29 0.00 0.00 176.35 175.65 3dwc n GLY 398 N 4.41 2.92 2.77 7.98 0.00 -1.26 -4.95 105.19 117.05 3dwc n GLY 398 Ca 0.19 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3dwc n GLY 398 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dwc n ASN 399 N 0.32 5.83 0.24 1.61 2.85 0.68 -4.79 115.26 122.01 3dwc n ASN 399 Ca 0.00 -3.56 0.09 0.00 -0.11 0.00 0.00 54.58 51.00 3dwc n ASN 399 Cb 0.00 -0.99 0.61 0.00 1.24 0.00 0.00 39.78 40.64 3dwc n ASN 399 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3dwc h ASP 400 N 4.35 0.00 -0.32 1.20 3.32 -1.89 -2.33 116.42 120.75 3dwc h ASP 400 Ca 0.29 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3dwc h ASP 400 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3dwc h ASP 400 CO 1.09 0.16 0.10 0.50 -1.72 0.00 0.00 179.24 179.38 3dwc h LYS 401 N 0.00 0.23 -0.98 3.56 3.64 -1.87 -0.93 116.57 120.22 3dwc h LYS 401 Ca -0.00 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.97 3dwc h LYS 401 Cb 0.33 -0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 31.86 3dwc h LYS 401 CO 0.02 0.15 0.50 0.39 -2.27 0.00 0.00 179.45 178.25 3dwc n GLU 402 N -5.03 2.18 0.00 1.90 1.02 -1.04 -3.46 120.64 116.20 3dwc n GLU 402 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 3dwc n GLU 402 Cb 0.12 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 3dwc n GLU 402 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dwc n GLY 403 N -0.76 3.53 0.24 0.62 0.00 -0.43 -4.69 105.19 103.71 3dwc n GLY 403 Ca 0.47 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3dwc n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwc n LEU 405 N -2.97 0.66 -0.19 0.00 4.77 -0.74 -4.46 117.00 114.07 3dwc n LEU 405 Ca 0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3dwc n LEU 405 Cb 0.35 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3dwc n LEU 405 CO 0.28 -0.12 0.30 0.00 -1.33 0.00 0.00 177.39 176.52 3dwc n GLN 406 N -2.09 -0.10 -4.49 3.23 6.02 -0.95 -4.64 117.38 114.37 3dwc n GLN 406 Ca 0.05 0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 57.48 3dwc n GLN 406 Cb 0.42 -1.13 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 3dwc n GLN 406 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dwc s ASP 407 N -5.17 4.60 0.38 1.08 -0.00 -1.26 -5.01 116.67 111.30 3dwc s ASP 407 Ca -0.07 -0.14 0.21 0.00 -0.00 0.00 0.00 52.55 52.55 3dwc s ASP 407 Cb 0.11 -1.08 0.58 0.00 -0.00 0.00 0.00 42.92 42.53 3dwc s ASP 407 CO 0.36 0.29 1.68 1.62 -0.00 0.00 0.00 175.17 179.12 3dwc h VAL 408 N 3.82 0.63 -0.89 -1.27 3.04 -1.97 -3.40 116.25 116.21 3dwc h VAL 408 Ca -0.48 -1.50 0.13 0.00 -1.01 0.00 0.00 66.70 63.84 3dwc h VAL 408 Cb 1.17 2.01 -0.14 0.00 -2.01 0.00 0.00 31.29 32.32 3dwc h VAL 408 CO 0.53 0.30 -0.42 0.45 -1.01 0.00 0.00 177.57 177.42 3dwc h HIS 409 N 0.00 -1.23 -0.16 3.17 3.86 -1.95 -0.44 115.15 118.40 3dwc h HIS 409 Ca -0.00 0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3dwc h HIS 409 Cb 0.99 0.67 -0.00 0.00 1.06 0.00 0.00 27.41 30.12 3dwc h HIS 409 CO 0.00 -0.40 -0.03 -1.49 0.86 0.00 0.00 177.93 176.87 3dwc h TRP 410 N -0.05 0.33 -0.86 2.45 6.55 -1.78 0.89 115.95 123.48 3dwc h TRP 410 Ca 0.28 -0.07 0.19 0.00 0.95 0.00 0.00 58.89 60.24 3dwc h TRP 410 Cb 0.56 -0.08 -0.06 0.00 -0.86 0.00 0.00 29.16 28.72 3dwc h TRP 410 CO -0.85 0.57 0.57 0.66 -1.05 0.00 0.00 178.44 178.34 3dwc h SER 411 N 0.00 0.38 -0.18 -3.49 4.64 -1.64 0.15 113.55 113.41 3dwc h SER 411 Ca 0.04 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3dwc h SER 411 Cb 0.46 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3dwc h SER 411 CO 0.01 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3dwc n GLY 412 N -1.53 0.25 2.28 -0.77 0.00 -0.25 -4.31 105.19 100.86 3dwc n GLY 412 Ca 0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3dwc n GLY 412 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwc n GLY 413 N 0.67 0.88 3.23 -0.02 0.00 0.53 -4.98 105.19 105.50 3dwc n GLY 413 Ca 0.06 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3dwc n GLY 413 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dwc s MET 414 N -3.32 2.79 -0.06 1.61 -1.94 0.24 -5.01 119.30 113.61 3dwc s MET 414 Ca 0.00 -2.04 0.06 0.00 -1.71 0.00 0.00 55.69 52.00 3dwc s MET 414 Cb 0.00 -4.05 -0.01 0.00 2.01 0.00 0.00 34.83 32.78 3dwc s MET 414 CO 0.00 -1.23 -0.25 0.12 -0.01 0.00 0.00 175.02 173.65 3dwc s PHE 415 N 0.89 2.44 0.00 -0.03 5.36 -1.26 -4.09 117.98 121.29 3dwc s PHE 415 Ca 0.10 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.36 3dwc s PHE 415 Cb -0.22 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 3dwc s PHE 415 CO -0.02 -0.21 0.00 0.41 -1.46 0.00 0.00 175.22 173.94 3dwc n GLY 416 N 2.93 0.75 0.11 13.12 0.00 -1.26 -4.61 105.19 116.22 3dwc n GLY 416 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3dwc n GLY 416 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dwc h TYR 417 N 0.00 0.21 -0.65 1.61 5.03 -1.89 -3.40 116.97 117.87 3dwc h TYR 417 Ca 0.00 -0.15 0.14 0.00 2.58 0.00 0.00 58.73 61.30 3dwc h TYR 417 Cb 0.00 -0.01 -0.12 0.00 1.55 0.00 0.00 36.73 38.15 3dwc h TYR 417 CO 0.00 1.41 -0.06 0.74 -1.32 0.00 0.00 178.16 178.92 3dwc h PHE 418 N -0.68 -0.17 -0.17 -3.82 0.04 -1.93 -1.74 116.94 108.48 3dwc h PHE 418 Ca -0.25 0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.62 3dwc h PHE 418 Cb 1.45 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.77 3dwc h PHE 418 CO 0.15 -0.23 0.28 -1.00 -0.60 0.00 0.00 178.31 176.91 3dwc h PRO 419 N 0.06 0.00 0.00 1.51 0.13 -1.85 -2.21 132.00 129.64 3dwc h PRO 419 Ca 0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.45 3dwc h PRO 419 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 3dwc h PRO 419 CO -0.61 0.00 -0.07 1.79 -0.23 0.00 0.00 178.00 178.88 3dwc h THR 420 N 0.00 0.43 -0.30 1.56 1.35 -1.58 -2.10 112.91 112.25 3dwc h THR 420 Ca 0.08 -0.38 -0.07 0.00 -0.55 0.00 0.00 66.41 65.49 3dwc h THR 420 Cb 0.63 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3dwc h THR 420 CO -0.00 0.07 -0.11 1.88 -0.25 0.00 0.00 175.52 177.11 3dwc h TYR 421 N 0.00 0.55 0.01 4.73 0.05 -1.58 -1.29 116.97 119.44 3dwc h TYR 421 Ca -0.00 -0.08 -0.25 0.00 0.05 0.00 0.00 58.73 58.45 3dwc h TYR 421 Cb 0.25 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 3dwc h TYR 421 CO 0.00 0.61 -1.29 0.77 -1.05 0.00 0.00 178.16 177.20 3dwc h SER 422 N 0.48 0.05 -0.68 3.88 0.02 -1.58 -2.57 113.55 113.15 3dwc h SER 422 Ca 0.09 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3dwc h SER 422 Cb 0.48 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3dwc h SER 422 CO 0.03 1.05 0.44 -0.07 -1.14 0.00 0.00 176.83 177.14 3dwc h LEU 423 N 0.01 0.76 0.07 5.07 3.38 -1.35 -1.02 115.31 122.23 3dwc h LEU 423 Ca -0.13 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3dwc h LEU 423 Cb 1.88 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.40 3dwc h LEU 423 CO 0.12 0.55 -0.29 1.23 0.09 0.00 0.00 178.44 180.14 3dwc h GLY 424 N 0.90 -0.50 0.08 0.83 0.00 -1.25 0.45 103.07 103.57 3dwc h GLY 424 Ca 0.25 0.34 0.19 0.00 0.00 0.00 0.00 47.33 48.12 3dwc h GLY 424 CO -0.06 -0.23 0.57 0.00 0.00 0.00 0.00 176.54 176.82 3dwc h ALA 425 N 0.26 1.61 -0.21 3.60 0.00 -1.11 -0.33 119.26 123.08 3dwc h ALA 425 Ca 0.04 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 425 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dwc h ALA 425 CO -0.20 -0.11 -0.60 0.52 0.00 0.00 0.00 179.25 178.86 3dwc h MET 426 N 0.69 0.70 -0.71 0.00 2.07 -0.66 -2.13 114.93 114.88 3dwc h MET 426 Ca 0.57 -0.47 -0.05 0.00 -2.07 0.00 0.00 59.70 57.68 3dwc h MET 426 Cb 0.92 0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.69 3dwc h MET 426 CO -0.40 1.09 0.25 0.28 1.07 0.00 0.00 176.91 179.20 3dwc h VAL 427 N 0.52 1.25 -0.59 -2.22 2.07 0.55 -1.50 116.25 116.33 3dwc h VAL 427 Ca -0.00 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3dwc h VAL 427 Cb 1.19 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3dwc h VAL 427 CO 0.12 0.33 0.10 0.00 0.02 0.00 0.00 177.57 178.14 3dwc h ALA 428 N 1.12 0.78 -0.24 1.67 0.00 -0.87 -1.06 119.26 120.67 3dwc h ALA 428 Ca 0.23 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3dwc h ALA 428 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dwc h ALA 428 CO -0.01 0.53 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 3dwc h ALA 429 N 1.01 0.63 -0.58 0.00 0.00 -1.28 -1.48 119.26 117.56 3dwc h ALA 429 Ca 0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3dwc h ALA 429 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dwc h ALA 429 CO 0.01 0.68 0.22 0.37 0.00 0.00 0.00 179.25 180.54 3dwc h GLN 430 N 0.53 0.87 -0.35 0.00 4.15 -1.19 -1.22 115.11 117.91 3dwc h GLN 430 Ca 0.02 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.16 3dwc h GLN 430 Cb 1.09 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 3dwc h GLN 430 CO 0.11 0.76 -0.24 -0.07 -1.93 0.00 0.00 178.83 177.46 3dwc h LEU 431 N 0.80 0.81 -0.90 -2.39 3.38 -1.10 -2.63 115.31 113.28 3dwc h LEU 431 Ca 0.19 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3dwc h LEU 431 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dwc h LEU 431 CO -0.01 1.07 -0.23 -0.03 0.09 0.00 0.00 178.44 179.33 3dwc h MET 432 N 0.56 0.55 -0.55 1.13 4.05 -1.22 -0.99 114.93 118.45 3dwc h MET 432 Ca 0.07 -0.20 0.08 0.00 -0.28 0.00 0.00 59.70 59.37 3dwc h MET 432 Cb 0.80 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.50 3dwc h MET 432 CO 0.06 0.74 0.19 1.03 0.23 0.00 0.00 176.91 179.16 3dwc h SER 433 N 0.49 0.18 -0.21 1.39 0.87 -1.06 0.29 113.55 115.50 3dwc h SER 433 Ca 0.07 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3dwc h SER 433 Cb 0.66 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3dwc h SER 433 CO 0.05 0.12 -0.11 0.00 -0.53 0.00 0.00 176.83 176.36 3dwc h VAL 435 N 0.14 1.02 -0.52 0.00 2.07 -0.93 0.84 116.25 118.87 3dwc h VAL 435 Ca 0.04 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3dwc h VAL 435 Cb 0.61 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3dwc h VAL 435 CO 0.03 0.15 -0.06 0.03 0.02 0.00 0.00 177.57 177.75 3dwc h ARG 436 N 0.82 0.96 -0.35 1.57 3.08 -0.96 0.08 114.38 119.57 3dwc h ARG 436 Ca 0.32 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3dwc h ARG 436 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3dwc h ARG 436 CO -0.17 1.00 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.41 3dwc h ARG 437 N 0.82 0.69 0.23 0.04 2.43 -0.82 0.55 114.38 118.32 3dwc h ARG 437 Ca 0.14 -0.27 -0.34 0.00 -0.81 0.00 0.00 59.98 58.70 3dwc h ARG 437 Cb 0.60 -0.03 0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3dwc h ARG 437 CO 0.04 0.86 -1.58 0.93 -1.51 0.00 0.00 179.97 178.70 3dwc h GLU 438 N 0.60 0.49 0.00 0.20 5.08 -0.81 -3.33 114.58 116.81 3dwc h GLU 438 Ca 0.09 -0.85 -0.09 0.00 -1.00 0.00 0.00 59.36 57.51 3dwc h GLU 438 Cb 0.71 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3dwc h GLU 438 CO 0.05 1.40 -0.78 -0.07 -1.00 0.00 0.00 179.01 178.62 3dwc h LEU 439 N 0.13 0.00 0.00 1.33 3.38 -1.03 -3.51 115.31 115.61 3dwc h LEU 439 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3dwc h LEU 439 Cb 2.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.90 3dwc h LEU 439 CO 0.24 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.74 3dwc n GLY 440 N 1.25 0.18 0.34 0.83 0.00 0.19 -4.52 105.19 103.45 3dwc n GLY 440 Ca -0.01 -1.34 0.06 0.00 0.00 0.00 0.00 46.02 44.72 3dwc n GLY 440 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dwc h GLU 441 N 0.00 0.86 -0.37 1.61 4.39 -1.86 -2.35 114.58 116.86 3dwc h GLU 441 Ca 0.00 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 3dwc h GLU 441 Cb 0.00 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3dwc h GLU 441 CO 0.00 0.57 -0.28 1.05 -1.16 0.00 0.00 179.01 179.19 3dwc h GLU 442 N 0.89 0.78 -0.17 2.33 9.09 -1.91 -1.00 114.58 124.59 3dwc h GLU 442 Ca 0.46 -0.34 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 3dwc h GLU 442 Cb 0.47 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.54 3dwc h GLU 442 CO -0.27 0.96 -0.03 0.28 0.05 0.00 0.00 179.01 180.00 3dwc h VAL 443 N 0.66 1.28 -0.26 -1.06 2.07 -1.70 -0.80 116.25 116.44 3dwc h VAL 443 Ca 0.08 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3dwc h VAL 443 Cb 0.80 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3dwc h VAL 443 CO 0.07 0.28 0.04 0.58 0.02 0.00 0.00 177.57 178.56 3dwc h VAL 444 N 0.03 0.87 -0.68 2.57 2.07 -1.38 0.68 116.25 120.41 3dwc h VAL 444 Ca 0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dwc h VAL 444 Cb 0.45 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3dwc h VAL 444 CO 0.01 0.03 0.44 0.44 0.02 0.00 0.00 177.57 178.51 3dwc h ASP 445 N 0.14 0.79 -0.33 0.57 3.32 -1.12 -2.00 116.42 117.80 3dwc h ASP 445 Ca 0.12 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 3dwc h ASP 445 Cb 0.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3dwc h ASP 445 CO -0.17 0.58 -0.26 0.44 -1.72 0.00 0.00 179.24 178.11 3dwc h ASP 446 N 0.93 0.86 -0.19 6.45 3.32 -0.63 -0.98 116.42 126.18 3dwc h ASP 446 Ca 0.25 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3dwc h ASP 446 Cb -0.09 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3dwc h ASP 446 CO -0.05 1.07 0.09 0.00 -1.72 0.00 0.00 179.24 178.63 3dwc h ILE 448 N 0.18 1.23 0.00 0.00 2.04 -1.31 0.19 117.51 119.83 3dwc h ILE 448 Ca 0.06 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 3dwc h ILE 448 Cb 0.12 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3dwc h ILE 448 CO -0.01 0.23 -0.15 0.08 0.00 0.00 0.00 178.15 178.30 3dwc h ARG 449 N -0.47 0.00 -0.28 2.37 0.11 -1.21 -1.68 114.38 113.21 3dwc h ARG 449 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3dwc h ARG 449 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3dwc h ARG 449 CO 0.01 0.15 0.00 1.63 0.10 0.00 0.00 179.97 181.86 3dwc n LYS 450 N -3.46 2.20 -3.89 0.08 5.02 -0.92 -3.64 118.16 113.55 3dwc n LYS 450 Ca -0.01 -1.81 -0.30 0.00 -2.02 0.00 0.00 58.31 54.17 3dwc n LYS 450 Cb 0.32 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3dwc n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwc n GLY 451 N 1.35 -0.50 2.80 0.72 0.00 -0.63 -4.93 105.19 104.01 3dwc n GLY 451 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 3dwc n GLY 451 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dwc n ASP 452 N -2.78 3.55 -0.16 1.61 2.03 0.61 -4.93 116.55 116.48 3dwc n ASP 452 Ca 0.04 -3.28 0.14 0.00 0.52 0.00 0.00 54.79 52.21 3dwc n ASP 452 Cb 0.52 -0.79 0.54 0.00 -0.72 0.00 0.00 41.12 40.67 3dwc n ASP 452 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dwc n LEU 453 N 1.65 0.64 -0.29 -2.67 4.77 -1.26 -4.53 117.00 115.32 3dwc n LEU 453 Ca 0.23 -0.08 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3dwc n LEU 453 Cb 0.37 -0.16 0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3dwc n LEU 453 CO 0.34 0.12 0.51 0.61 -1.33 0.00 0.00 177.39 177.64 3dwc n GLY 454 N 1.29 -1.38 0.18 -0.72 0.00 -1.26 -1.31 105.19 101.99 3dwc n GLY 454 Ca 0.14 0.86 -0.02 0.00 0.00 0.00 0.00 46.02 47.00 3dwc n GLY 454 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dwc h LYS 455 N 0.00 0.15 0.03 1.61 1.57 -2.00 -1.08 116.57 116.86 3dwc h LYS 455 Ca 0.36 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3dwc h LYS 455 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3dwc h LYS 455 CO -0.81 0.60 -0.02 0.82 -0.57 0.00 0.00 179.45 179.48 3dwc h ILE 456 N 0.12 1.39 -0.66 1.86 2.04 -1.53 -2.97 117.51 117.77 3dwc h ILE 456 Ca 0.01 -1.64 0.09 0.00 1.00 0.00 0.00 64.86 64.31 3dwc h ILE 456 Cb 0.90 2.43 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 3dwc h ILE 456 CO 0.07 0.40 0.31 -0.07 0.00 0.00 0.00 178.15 178.86 3dwc h LEU 457 N -0.80 0.39 -0.62 1.44 3.38 -1.31 -1.42 115.31 116.37 3dwc h LEU 457 Ca -0.00 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.14 3dwc h LEU 457 Cb 0.69 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 3dwc h LEU 457 CO 0.01 0.23 0.15 0.00 0.09 0.00 0.00 178.44 178.92 3dwc h ALA 458 N 1.40 0.76 -0.18 1.53 0.00 -1.28 0.81 119.26 122.30 3dwc h ALA 458 Ca 0.32 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3dwc h ALA 458 Cb 0.33 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dwc h ALA 458 CO -0.26 -0.29 0.11 0.87 0.00 0.00 0.00 179.25 179.67 3dwc h LYS 459 N 0.29 0.22 -0.58 0.00 1.79 -1.19 -1.31 116.57 115.79 3dwc h LYS 459 Ca 0.33 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.85 3dwc h LYS 459 Cb 0.49 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 3dwc h LYS 459 CO -0.40 0.14 0.28 1.96 -1.08 0.00 0.00 179.45 180.36 3dwc h GLN 460 N 0.22 0.52 0.68 3.15 4.20 -0.73 0.11 115.11 123.26 3dwc h GLN 460 Ca 0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3dwc h GLN 460 Cb -0.01 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3dwc h GLN 460 CO -0.03 0.34 -0.36 -0.97 -0.67 0.00 0.00 178.83 177.14 3dwc h ASN 461 N 0.53 -0.88 -0.47 1.46 -1.24 -0.61 0.21 115.58 114.59 3dwc h ASN 461 Ca 0.27 0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.41 3dwc h ASN 461 Cb 0.21 0.24 -0.10 0.00 0.73 0.00 0.00 38.32 39.41 3dwc h ASN 461 CO -0.20 -0.59 -0.20 -0.08 -1.29 0.00 0.00 177.43 175.07 3dwc h GLU 462 N -0.96 -0.09 0.17 6.67 4.81 -1.16 -0.25 114.58 123.77 3dwc h GLU 462 Ca -0.09 0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.83 3dwc h GLU 462 Cb 0.76 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.17 3dwc h GLU 462 CO 0.13 -0.06 -1.47 0.87 -0.73 0.00 0.00 179.01 177.75 3dwc h LYS 463 N -0.10 0.36 0.00 1.92 1.57 -0.67 -3.44 116.57 116.22 3dwc h LYS 463 Ca 0.22 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 3dwc h LYS 463 Cb 0.44 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3dwc h LYS 463 CO -0.53 1.27 -0.39 -0.89 -0.57 0.00 0.00 179.45 178.34 3dwc n ILE 464 N -3.57 0.99 -0.15 1.86 2.08 0.70 -4.65 119.36 116.62 3dwc n ILE 464 Ca -0.15 0.27 -0.09 0.00 0.56 0.00 0.00 62.75 63.34 3dwc n ILE 464 Cb 1.06 -1.64 0.06 0.00 -0.75 0.00 0.00 39.64 38.36 3dwc n ILE 464 CO 0.00 0.00 0.00 -0.50 0.56 0.00 0.00 176.55 176.61 3dwc h TRP 465 N -0.12 1.04 0.00 1.39 6.55 -0.89 -2.05 115.95 121.88 3dwc h TRP 465 Ca -0.02 -0.21 -0.01 0.00 0.95 0.00 0.00 58.89 59.60 3dwc h TRP 465 Cb 0.36 -0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 28.40 3dwc h TRP 465 CO -0.04 0.99 -0.03 -0.56 -1.05 0.00 0.00 178.44 177.75 3dwc h GLN 466 N 0.83 0.00 0.00 0.49 3.07 -1.20 -0.74 115.11 117.57 3dwc h GLN 466 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.82 3dwc h GLN 466 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 3dwc h GLN 466 CO 0.05 0.03 -0.76 0.45 0.09 0.00 0.00 178.83 178.69 3dwc h HIS 467 N 0.00 0.00 0.00 0.06 3.86 -1.62 -3.20 115.15 114.25 3dwc h HIS 467 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dwc h HIS 467 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3dwc h HIS 467 CO 0.00 0.18 0.00 0.41 0.86 0.00 0.00 177.93 179.38 3dwc n GLY 468 N 1.21 3.17 0.73 2.45 0.00 -1.15 -1.39 105.19 110.22 3dwc n GLY 468 Ca -0.01 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.32 3dwc n GLY 468 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwc n SER 469 N 6.75 2.40 0.23 1.61 7.64 0.13 -3.80 113.62 128.58 3dwc n SER 469 Ca 0.00 -3.58 0.13 0.00 1.01 0.00 0.00 58.87 56.43 3dwc n SER 469 Cb 0.00 -0.55 0.38 0.00 -1.01 0.00 0.00 64.21 63.03 3dwc n SER 469 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dwc h SER 470 N 0.91 0.00 -3.84 6.43 4.64 -1.32 -3.44 113.55 116.93 3dwc h SER 470 Ca 0.08 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.71 3dwc h SER 470 Cb 1.29 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.18 3dwc h SER 470 CO 0.17 0.08 -0.84 -0.76 -0.87 0.00 0.00 176.83 174.60 3dwc s LEU 471 N -6.30 2.46 0.91 5.97 1.43 -1.26 -4.84 118.68 117.05 3dwc s LEU 471 Ca 0.04 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 3dwc s LEU 471 Cb 0.07 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 45.01 3dwc s LEU 471 CO 0.63 0.18 0.64 0.41 0.23 0.00 0.00 176.35 178.43 3dwc n THR 472 N 0.87 0.34 0.06 5.49 -1.04 -1.26 -4.76 114.28 113.98 3dwc n THR 472 Ca -0.17 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 61.54 3dwc n THR 472 Cb 0.53 -0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 68.20 3dwc n THR 472 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3dwc h THR 473 N -1.47 1.02 -0.64 12.58 2.02 -1.95 0.09 112.91 124.57 3dwc h THR 473 Ca -0.44 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3dwc h THR 473 Cb 1.29 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 3dwc h THR 473 CO 0.37 0.08 0.34 0.44 0.37 0.00 0.00 175.52 177.12 3dwc h ASP 474 N -0.24 0.49 -0.82 4.18 3.32 -1.93 0.10 116.42 121.52 3dwc h ASP 474 Ca -0.01 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3dwc h ASP 474 Cb 0.21 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3dwc h ASP 474 CO 0.02 0.31 0.35 -0.33 -1.72 0.00 0.00 179.24 177.88 3dwc h GLU 475 N 0.63 1.21 -0.05 3.56 5.08 -1.90 0.91 114.58 124.01 3dwc h GLU 475 Ca 0.29 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3dwc h GLU 475 Cb 0.21 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dwc h GLU 475 CO -0.19 0.96 0.02 1.25 -1.00 0.00 0.00 179.01 180.04 3dwc h LEU 476 N 1.19 0.07 -0.71 1.33 5.85 0.12 -0.33 115.31 122.83 3dwc h LEU 476 Ca 0.28 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3dwc h LEU 476 Cb 0.18 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3dwc h LEU 476 CO -0.03 0.23 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.97 3dwc h LEU 477 N -0.10 0.72 -0.31 2.25 3.38 -0.94 -1.85 115.31 118.46 3dwc h LEU 477 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3dwc h LEU 477 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dwc h LEU 477 CO -0.00 0.95 0.17 0.03 0.09 0.00 0.00 178.44 179.68 3dwc h ARG 478 N 0.61 0.44 -0.49 1.13 3.08 -0.58 0.54 114.38 119.13 3dwc h ARG 478 Ca 0.08 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3dwc h ARG 478 Cb 0.76 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3dwc h ARG 478 CO 0.06 0.39 0.10 0.37 -1.07 0.00 0.00 179.97 179.82 3dwc h GLN 479 N 0.38 0.74 0.20 0.04 -0.00 -0.91 0.12 115.11 115.67 3dwc h GLN 479 Ca 0.11 -0.15 -0.33 0.00 -0.00 0.00 0.00 58.65 58.28 3dwc h GLN 479 Cb 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 27.48 27.46 3dwc h GLN 479 CO -0.02 0.68 -1.62 0.00 0.00 0.00 0.00 178.83 177.88 3dwc h ALA 480 N 1.40 0.07 0.00 3.38 0.00 -1.19 -3.41 119.26 119.51 3dwc h ALA 480 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3dwc h ALA 480 Cb 0.29 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3dwc h ALA 480 CO 0.00 0.89 0.00 0.25 0.00 0.00 0.00 179.25 180.39 3dwc n THR 481 N -3.68 0.00 -0.19 0.00 -2.24 0.17 -5.02 114.28 103.32 3dwc n THR 481 Ca -0.23 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3dwc n THR 481 Cb 1.05 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.47 3dwc n THR 481 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwc n GLY 482 N 0.27 1.15 3.62 3.38 0.00 0.42 -4.99 105.19 109.03 3dwc n GLY 482 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3dwc n GLY 482 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dwc s GLU 483 N -0.53 1.53 0.93 1.61 -1.05 -1.25 -4.89 118.70 115.06 3dwc s GLU 483 Ca 0.00 -1.05 -0.11 0.00 -0.15 0.00 0.00 54.97 53.66 3dwc s GLU 483 Cb 0.00 0.52 0.15 0.00 -0.44 0.00 0.00 34.13 34.36 3dwc s GLU 483 CO 0.00 -0.66 1.11 0.99 0.95 0.00 0.00 175.26 177.65 3dwc s THR 484 N -3.94 2.37 0.03 1.83 2.01 -1.26 -2.65 115.64 114.01 3dwc s THR 484 Ca 0.15 0.12 -0.33 0.00 0.31 0.00 0.00 61.69 61.94 3dwc s THR 484 Cb -0.02 -2.30 -0.12 0.00 0.01 0.00 0.00 72.50 70.08 3dwc s THR 484 CO 0.04 -0.16 1.82 -0.11 -0.69 0.00 0.00 174.62 175.52 3dwc n LEU 485 N -4.19 3.58 -3.91 4.42 7.94 -1.26 -4.95 117.00 118.62 3dwc n LEU 485 Ca 0.09 0.99 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 3dwc n LEU 485 Cb 0.53 -1.44 -0.16 0.00 0.53 0.00 0.00 43.42 42.89 3dwc n LEU 485 CO 0.52 -0.03 -0.42 0.21 -1.11 0.00 0.00 177.39 176.57 3dwc s ASN 486 N 3.14 3.61 0.00 1.96 3.84 -1.26 -5.01 114.94 121.22 3dwc s ASN 486 Ca 0.87 -1.06 0.13 0.00 0.21 0.00 0.00 52.86 53.01 3dwc s ASN 486 Cb -0.62 -1.09 0.66 0.00 -0.55 0.00 0.00 41.25 39.65 3dwc s ASN 486 CO 0.44 -0.23 1.33 -0.81 -2.79 0.00 0.00 177.10 175.04 3dwc n PRO 487 N 4.74 0.19 0.20 0.43 -0.04 -1.26 -3.01 135.00 136.24 3dwc n PRO 487 Ca -0.12 0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 3dwc n PRO 487 Cb 0.45 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.84 3dwc n PRO 487 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dwc h GLU 488 N 0.00 0.00 -0.60 0.54 4.39 -1.98 -2.22 114.58 114.71 3dwc h GLU 488 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3dwc h GLU 488 Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3dwc h GLU 488 CO 0.00 0.32 0.16 0.45 -1.16 0.00 0.00 179.01 178.77 3dwc h HIS 489 N 0.00 1.00 0.02 4.33 3.86 -1.90 -1.60 115.15 120.86 3dwc h HIS 489 Ca -0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3dwc h HIS 489 Cb 0.63 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3dwc h HIS 489 CO 0.00 0.84 -0.01 -0.92 0.86 0.00 0.00 177.93 178.70 3dwc h TYR 490 N 0.87 -0.02 -0.38 2.45 3.20 -1.70 0.77 116.97 122.16 3dwc h TYR 490 Ca 0.19 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.14 3dwc h TYR 490 Cb 0.34 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 3dwc h TYR 490 CO 0.02 0.16 -0.25 -0.09 -1.64 0.00 0.00 178.16 176.36 3dwc h ARG 491 N -0.21 -0.19 -0.64 1.82 2.43 -1.31 -0.47 114.38 115.82 3dwc h ARG 491 Ca -0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3dwc h ARG 491 Cb 0.19 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3dwc h ARG 491 CO 0.00 -0.12 0.16 -0.09 -1.51 0.00 0.00 179.97 178.41 3dwc h ARG 492 N -0.19 1.00 0.18 0.20 2.43 -1.12 -1.11 114.38 115.77 3dwc h ARG 492 Ca 0.18 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dwc h ARG 492 Cb 0.48 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3dwc h ARG 492 CO -0.49 0.88 -0.14 1.25 -1.51 0.00 0.00 179.97 179.96 3dwc h HIS 493 N 0.96 -0.37 -0.64 2.20 2.76 -0.30 -0.56 115.15 119.20 3dwc h HIS 493 Ca 0.21 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 3dwc h HIS 493 Cb 0.33 0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3dwc h HIS 493 CO 0.02 -0.22 0.11 -0.07 -1.30 0.00 0.00 177.93 176.47 3dwc h LEU 494 N -0.33 0.99 0.04 0.26 3.38 -0.88 -1.53 115.31 117.24 3dwc h LEU 494 Ca -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dwc h LEU 494 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dwc h LEU 494 CO -0.01 0.99 -0.02 -0.33 0.09 0.00 0.00 178.44 179.16 3dwc h GLU 495 N 0.98 -0.05 -0.77 1.13 5.08 -1.14 -0.51 114.58 119.29 3dwc h GLU 495 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 3dwc h GLU 495 Cb 0.42 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3dwc h GLU 495 CO 0.01 0.20 0.46 0.00 -1.00 0.00 0.00 179.01 178.68 3dwc h ARG 496 N -0.29 0.81 -0.04 2.33 3.08 -1.06 0.89 114.38 120.09 3dwc h ARG 496 Ca -0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3dwc h ARG 496 Cb 0.27 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.15 3dwc h ARG 496 CO 0.01 0.53 -0.50 -0.09 -1.07 0.00 0.00 179.97 178.85 3dwc h ARG 497 N 0.83 0.40 0.00 0.04 2.43 -1.22 -3.33 114.38 113.53 3dwc h ARG 497 Ca 0.34 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3dwc h ARG 497 Cb 0.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3dwc h ARG 497 CO -0.18 1.04 -1.85 0.66 -1.51 0.00 0.00 179.97 178.13 3dwc n TYR 498 N -4.28 0.00 -0.09 2.20 4.01 -0.21 -4.72 117.16 114.07 3dwc n TYR 498 Ca -0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.48 3dwc n TYR 498 Cb 0.61 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 3dwc n TYR 498 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dwc n ARG 499 N -2.20 0.47 0.00 -0.72 0.00 0.13 -4.82 116.66 109.52 3dwc n ARG 499 Ca -0.08 0.20 0.12 0.00 -0.00 0.00 0.00 57.85 58.09 3dwc n ARG 499 Cb 0.57 -1.30 0.71 0.00 0.00 0.00 0.00 32.46 32.44 3dwc n ARG 499 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38