#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwf n LYS 3 N 0.00 3.21 -1.79 -1.24 4.01 -1.26 -5.07 118.16 116.02 1xwf n LYS 3 Ca 0.00 -3.92 -0.34 0.00 -0.51 0.00 0.00 58.31 53.54 1xwf n LYS 3 Cb 0.00 -2.27 0.05 0.00 -0.51 0.00 0.00 35.03 32.30 1xwf n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xwf s LEU 4 N -3.72 3.47 0.23 -0.35 1.43 -1.26 -4.96 118.68 113.52 1xwf s LEU 4 Ca 0.54 2.18 0.20 0.00 -1.03 0.00 0.00 54.13 56.02 1xwf s LEU 4 Cb 0.44 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 42.14 1xwf s LEU 4 CO -0.09 -1.73 1.17 1.55 0.23 0.00 0.00 176.35 177.49 1xwf h PRO 5 N 0.26 0.00 -1.15 1.29 0.13 -1.97 -3.48 132.00 127.07 1xwf h PRO 5 Ca -0.48 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.95 1xwf h PRO 5 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 1xwf h PRO 5 CO 0.53 0.13 0.94 1.52 -0.23 0.00 0.00 178.00 180.90 1xwf s TYR 6 N -3.18 -0.04 -0.32 1.56 -0.85 -1.26 -3.71 117.35 109.54 1xwf s TYR 6 Ca 0.01 0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.58 1xwf s TYR 6 Cb 0.08 0.50 0.13 0.00 0.38 0.00 0.00 41.96 43.05 1xwf s TYR 6 CO 0.76 -0.07 0.20 0.21 -1.52 0.00 0.00 175.55 175.14 1xwf s LYS 7 N -2.01 0.40 0.37 -3.49 2.47 0.18 -4.93 119.74 112.73 1xwf s LYS 7 Ca 0.11 -0.87 0.08 0.00 -1.56 0.00 0.00 55.97 53.73 1xwf s LYS 7 Cb -0.01 -1.13 -0.07 0.00 -1.46 0.00 0.00 37.83 35.16 1xwf s LYS 7 CO -0.03 -1.12 -0.05 0.14 0.16 0.00 0.00 175.35 174.45 1xwf s VAL 8 N 1.61 2.14 0.00 4.02 -7.23 -1.26 -2.30 120.40 117.38 1xwf s VAL 8 Ca 0.14 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1xwf s VAL 8 Cb -0.19 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1xwf s VAL 8 CO -0.17 -0.11 0.99 0.00 -0.31 0.00 0.00 175.10 175.50 1xwf n ALA 9 N -0.87 -0.39 -3.71 1.32 0.00 -1.25 -4.70 120.51 110.91 1xwf n ALA 9 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1xwf n ALA 9 Cb 0.65 0.11 -0.17 0.00 0.00 0.00 0.00 19.45 20.03 1xwf n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwf s ASP 10 N -2.21 1.99 0.44 0.00 -1.08 -1.26 -5.01 116.67 109.54 1xwf s ASP 10 Ca 0.00 -0.35 0.17 0.00 -0.52 0.00 0.00 52.55 51.85 1xwf s ASP 10 Cb 0.00 -0.39 1.09 0.00 -1.46 0.00 0.00 42.92 42.17 1xwf s ASP 10 CO 0.00 -0.26 1.95 -0.29 0.52 0.00 0.00 175.17 177.08 1xwf h ILE 11 N 6.41 0.81 -0.68 4.11 6.09 -1.93 -2.59 117.51 129.73 1xwf h ILE 11 Ca -0.16 -0.12 0.13 0.00 -1.37 0.00 0.00 64.86 63.34 1xwf h ILE 11 Cb 1.13 0.42 -0.13 0.00 0.47 0.00 0.00 36.82 38.71 1xwf h ILE 11 CO 0.27 0.07 -0.23 1.23 -3.07 0.00 0.00 178.15 176.42 1xwf h GLY 12 N 0.36 0.33 -0.04 8.18 0.00 -1.95 -2.02 103.07 107.94 1xwf h GLY 12 Ca 0.33 0.30 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1xwf h GLY 12 CO -0.09 -0.25 0.93 1.41 0.00 0.00 0.00 176.54 178.54 1xwf h LEU 13 N -0.05 0.00 -0.63 3.11 -0.00 -1.81 -3.24 115.31 112.70 1xwf h LEU 13 Ca 0.31 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.25 1xwf h LEU 13 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.12 1xwf h LEU 13 CO -0.72 0.00 -0.37 0.00 -0.00 0.00 0.00 178.44 177.34 1xwf n ALA 14 N -1.81 -0.40 -0.30 1.53 0.00 -0.76 -0.93 120.51 117.83 1xwf n ALA 14 Ca 0.07 0.53 0.23 0.00 0.00 0.00 0.00 53.44 54.28 1xwf n ALA 14 Cb 1.04 0.09 0.44 0.00 0.00 0.00 0.00 19.45 21.02 1xwf n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwf n ALA 15 N -3.16 0.77 0.11 0.00 0.00 -1.23 0.87 120.51 117.87 1xwf n ALA 15 Ca 0.01 0.94 -0.23 0.00 0.00 0.00 0.00 53.44 54.16 1xwf n ALA 15 Cb 0.16 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 1xwf n ALA 15 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1xwf h TRP 16 N 0.00 0.83 -1.00 0.00 7.01 -1.49 -2.76 115.95 118.54 1xwf h TRP 16 Ca 0.69 -0.60 0.10 0.00 2.11 0.00 0.00 58.89 61.19 1xwf h TRP 16 Cb 1.72 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 28.66 1xwf h TRP 16 CO -0.17 1.52 0.63 0.78 -2.79 0.00 0.00 178.44 178.41 1xwf h GLY 17 N 0.08 1.59 1.52 2.65 0.00 0.24 0.13 103.07 109.28 1xwf h GLY 17 Ca -0.25 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.59 1xwf h GLY 17 CO 0.23 0.22 -0.01 -0.09 0.00 0.00 0.00 176.54 176.89 1xwf h ARG 18 N 1.06 0.60 -0.45 4.80 9.65 0.18 -1.89 114.38 128.32 1xwf h ARG 18 Ca 0.47 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 59.25 1xwf h ARG 18 Cb 0.37 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 1xwf h ARG 18 CO -0.23 0.63 0.21 0.87 2.80 0.00 0.00 179.97 184.25 1xwf h LYS 19 N 0.57 0.41 -0.02 0.20 1.57 -0.46 -2.59 116.57 116.25 1xwf h LYS 19 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xwf h LYS 19 Cb 0.37 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xwf h LYS 19 CO 0.01 0.27 0.01 0.00 -0.57 0.00 0.00 179.45 179.17 1xwf h ALA 20 N 1.26 0.03 -0.08 3.86 0.00 -0.90 -2.70 119.26 120.72 1xwf h ALA 20 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xwf h ALA 20 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xwf h ALA 20 CO -0.16 -0.36 0.23 -0.07 0.00 0.00 0.00 179.25 178.89 1xwf h LEU 21 N -0.19 0.00 0.06 0.00 3.38 -1.20 0.20 115.31 117.56 1xwf h LEU 21 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xwf h LEU 21 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xwf h LEU 21 CO 0.00 0.00 -0.03 0.44 0.09 0.00 0.00 178.44 178.94 1xwf h ASP 22 N 0.00 -0.07 -0.63 -0.43 3.32 -1.14 -2.43 116.42 115.04 1xwf h ASP 22 Ca 0.04 -0.56 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1xwf h ASP 22 Cb 0.49 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1xwf h ASP 22 CO -0.00 0.61 0.33 0.40 -1.72 0.00 0.00 179.24 178.85 1xwf h ILE 23 N -0.83 1.21 -0.75 0.35 5.03 -0.96 -3.16 117.51 118.39 1xwf h ILE 23 Ca -0.01 -0.54 -0.05 0.00 -0.12 0.00 0.00 64.86 64.14 1xwf h ILE 23 Cb 0.63 0.42 -0.03 0.00 -3.03 0.00 0.00 36.82 34.81 1xwf h ILE 23 CO 0.01 0.23 0.28 0.00 -0.68 0.00 0.00 178.15 177.99 1xwf h ALA 24 N 1.15 1.07 -0.16 1.87 0.00 -0.78 -3.04 119.26 119.37 1xwf h ALA 24 Ca 0.22 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xwf h ALA 24 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xwf h ALA 24 CO -0.03 0.65 0.14 0.93 0.00 0.00 0.00 179.25 180.93 1xwf h GLU 25 N 1.10 0.00 0.00 0.00 5.08 -1.39 0.28 114.58 119.65 1xwf h GLU 25 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1xwf h GLU 25 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xwf h GLU 25 CO -0.02 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.08 1xwf h ASN 26 N 0.00 0.00 -0.03 1.42 4.21 -1.63 -2.85 115.58 116.71 1xwf h ASN 26 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1xwf h ASN 26 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1xwf h ASN 26 CO -0.00 0.00 -0.05 -0.62 -1.29 0.00 0.00 177.43 175.47 1xwf n GLU 27 N -2.37 1.89 -3.60 0.81 -0.58 0.07 -4.63 120.64 112.23 1xwf n GLU 27 Ca 0.04 -1.67 -0.27 0.00 -0.42 0.00 0.00 57.16 54.83 1xwf n GLU 27 Cb 0.35 -1.41 -0.10 0.00 -0.57 0.00 0.00 31.44 29.71 1xwf n GLU 27 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1xwf n MET 28 N 1.06 1.94 -0.29 3.49 2.81 -1.07 -2.77 117.12 122.29 1xwf n MET 28 Ca 0.12 -4.38 -0.01 0.00 -1.81 0.00 0.00 57.70 51.62 1xwf n MET 28 Cb 0.52 -2.15 0.12 0.00 -0.71 0.00 0.00 33.22 31.00 1xwf n MET 28 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1xwf h PRO 29 N 4.75 0.90 0.46 0.03 0.11 -1.82 -2.51 132.00 133.93 1xwf h PRO 29 Ca 0.17 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1xwf h PRO 29 Cb 0.73 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1xwf h PRO 29 CO 0.73 0.59 -0.41 0.78 -0.21 0.00 0.00 178.00 179.48 1xwf h GLY 30 N 0.92 -1.17 0.63 -0.55 0.00 -1.79 0.13 103.07 101.25 1xwf h GLY 30 Ca 0.34 0.53 0.07 0.00 0.00 0.00 0.00 47.33 48.27 1xwf h GLY 30 CO -0.15 -0.36 0.40 1.41 0.00 0.00 0.00 176.54 177.83 1xwf h LEU 31 N -0.86 0.58 -1.65 3.11 3.38 -1.73 -0.39 115.31 117.76 1xwf h LEU 31 Ca -0.06 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1xwf h LEU 31 Cb 0.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1xwf h LEU 31 CO -0.02 0.36 -0.18 0.24 0.09 0.00 0.00 178.44 178.93 1xwf h MET 32 N 0.71 0.00 -0.07 1.13 2.86 -1.31 -0.71 114.93 117.54 1xwf h MET 32 Ca 0.33 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.90 1xwf h MET 32 Cb 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xwf h MET 32 CO -0.20 0.18 -0.23 -0.09 1.06 0.00 0.00 176.91 177.63 1xwf h ARG 33 N 0.00 0.28 -0.97 1.72 9.65 0.66 -2.73 114.38 122.99 1xwf h ARG 33 Ca -0.00 -0.20 0.18 0.00 -1.10 0.00 0.00 59.98 58.86 1xwf h ARG 33 Cb 0.31 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.84 1xwf h ARG 33 CO 0.02 0.83 0.61 0.52 2.80 0.00 0.00 179.97 184.75 1xwf h MET 34 N -0.22 0.68 -0.47 0.20 2.86 -0.56 0.22 114.93 117.64 1xwf h MET 34 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1xwf h MET 34 Cb 0.85 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1xwf h MET 34 CO 0.05 0.45 0.21 0.00 1.06 0.00 0.00 176.91 178.67 1xwf h ARG 35 N 0.70 0.69 0.37 1.72 3.08 -1.00 -1.05 114.38 118.90 1xwf h ARG 35 Ca 0.53 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 1xwf h ARG 35 Cb 0.91 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1xwf h ARG 35 CO -0.30 0.61 -0.18 0.93 -1.07 0.00 0.00 179.97 179.96 1xwf h GLU 36 N 0.62 -0.48 -1.02 0.04 5.08 -0.36 0.30 114.58 118.75 1xwf h GLU 36 Ca 0.16 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.85 1xwf h GLU 36 Cb 0.16 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1xwf h GLU 36 CO -0.02 -0.32 0.80 0.52 -1.00 0.00 0.00 179.01 178.99 1xwf h MET 37 N -0.60 0.00 0.00 2.33 2.86 -1.03 -3.13 114.93 115.36 1xwf h MET 37 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1xwf h MET 37 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1xwf h MET 37 CO 0.08 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.71 1xwf n TYR 38 N -4.03 0.00 0.15 -0.22 4.01 -0.40 -4.69 117.16 111.98 1xwf n TYR 38 Ca 0.22 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.04 1xwf n TYR 38 Cb 1.14 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.76 1xwf n TYR 38 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xwf h SER 39 N 0.00 0.13 0.00 7.72 0.87 -0.34 0.57 113.55 122.50 1xwf h SER 39 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xwf h SER 39 Cb 0.14 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1xwf h SER 39 CO 0.00 0.09 -0.03 0.00 -0.53 0.00 0.00 176.83 176.36 1xwf h ALA 40 N 1.89 0.00 -0.96 6.23 0.00 -1.81 -3.32 119.26 121.29 1xwf h ALA 40 Ca 0.08 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.08 1xwf h ALA 40 Cb 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1xwf h ALA 40 CO -0.01 0.02 0.64 0.77 0.00 0.00 0.00 179.25 180.67 1xwf h SER 41 N -1.00 0.36 -6.25 0.00 0.02 -1.81 -3.45 113.55 101.42 1xwf h SER 41 Ca -0.00 0.05 -0.45 0.00 -0.84 0.00 0.00 61.79 60.54 1xwf h SER 41 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1xwf h SER 41 CO -0.00 0.12 -0.84 0.29 -1.14 0.00 0.00 176.83 175.26 1xwf n LYS 42 N -4.51 -4.50 0.00 3.45 4.76 0.18 -4.79 118.16 112.76 1xwf n LYS 42 Ca 0.21 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1xwf n LYS 42 Cb 0.81 -5.04 0.03 0.00 -1.84 0.00 0.00 35.03 28.99 1xwf n LYS 42 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xwf n PRO 43 N -4.37 0.02 -0.21 1.97 -0.04 -1.19 -1.80 135.00 129.38 1xwf n PRO 43 Ca -0.25 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1xwf n PRO 43 Cb 0.65 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.77 1xwf n PRO 43 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xwf n LEU 44 N -1.16 3.02 -4.70 1.53 4.77 -0.22 -4.87 117.00 115.38 1xwf n LEU 44 Ca 0.01 -2.24 -0.42 0.00 -0.03 0.00 0.00 56.01 53.33 1xwf n LEU 44 Cb 0.01 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1xwf n LEU 44 CO 0.01 0.70 0.91 0.29 -1.33 0.00 0.00 177.39 177.96 1xwf n LYS 45 N 0.16 2.13 -0.15 3.23 4.76 0.19 -1.46 118.16 127.02 1xwf n LYS 45 Ca 0.13 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 1xwf n LYS 45 Cb 0.51 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 1xwf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xwf n GLY 46 N 0.76 2.29 3.73 0.72 0.00 -1.26 -4.99 105.19 106.42 1xwf n GLY 46 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1xwf n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 47 N -3.00 3.39 -0.47 4.61 0.00 -0.53 -4.98 121.76 120.77 1xwf s ALA 47 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1xwf s ALA 47 Cb 0.00 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.38 1xwf s ALA 47 CO 0.00 -0.03 0.25 1.03 0.00 0.00 0.00 175.76 177.00 1xwf s ARG 48 N 0.57 2.04 -0.11 0.00 0.52 -1.26 -0.60 118.95 120.13 1xwf s ARG 48 Ca 0.34 -2.18 -0.23 0.00 -0.52 0.00 0.00 55.73 53.15 1xwf s ARG 48 Cb -0.17 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1xwf s ARG 48 CO 0.17 -1.08 0.68 0.42 0.02 0.00 0.00 175.30 175.50 1xwf s ILE 49 N 0.50 5.04 -0.49 1.52 1.01 0.11 -2.11 121.20 126.78 1xwf s ILE 49 Ca 0.13 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 62.00 1xwf s ILE 49 Cb -0.22 -4.01 0.10 0.00 0.01 0.00 0.00 42.46 38.34 1xwf s ILE 49 CO -0.04 0.21 0.41 0.00 0.00 0.00 0.00 174.94 175.52 1xwf s ALA 50 N 1.12 3.55 -0.11 9.38 0.00 -0.58 -1.73 121.76 133.38 1xwf s ALA 50 Ca 0.35 -2.30 -0.14 0.00 0.00 0.00 0.00 51.96 49.87 1xwf s ALA 50 Cb -0.17 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1xwf s ALA 50 CO 0.15 -1.84 0.34 0.20 0.00 0.00 0.00 175.76 174.62 1xwf s GLY 51 N 2.90 2.31 -0.40 0.00 0.00 -0.57 -2.20 107.32 109.36 1xwf s GLY 51 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.41 1xwf s GLY 51 CO 0.04 0.35 0.19 0.00 0.00 0.00 0.00 173.10 173.68 1xwf s LEU 53 N 0.74 0.29 -0.26 0.00 0.20 -1.03 -2.65 118.68 115.96 1xwf s LEU 53 Ca 0.15 0.87 -0.33 0.00 0.69 0.00 0.00 54.13 55.51 1xwf s LEU 53 Cb -0.22 1.45 -0.15 0.00 -0.43 0.00 0.00 46.19 46.84 1xwf s LEU 53 CO -0.06 -0.16 1.06 1.41 -0.29 0.00 0.00 176.35 178.31 1xwf n HIS 54 N 3.09 1.06 -2.57 5.38 8.25 -1.26 -3.87 115.22 125.29 1xwf n HIS 54 Ca -0.15 0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 57.71 1xwf n HIS 54 Cb 0.57 -1.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.06 1xwf n HIS 54 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1xwf s MET 55 N 1.59 3.69 0.37 -0.41 1.75 -1.26 -4.71 119.30 120.32 1xwf s MET 55 Ca 0.73 -1.34 0.01 0.00 -1.25 0.00 0.00 55.69 53.84 1xwf s MET 55 Cb -1.04 -5.40 0.01 0.00 2.84 0.00 0.00 34.83 31.23 1xwf s MET 55 CO 0.55 -2.22 0.08 0.25 -0.65 0.00 0.00 175.02 173.03 1xwf n THR 56 N 6.76 0.00 -0.01 10.11 -2.24 -1.26 0.15 114.28 127.79 1xwf n THR 56 Ca 0.37 -1.68 -0.01 0.00 -2.27 0.00 0.00 64.05 60.46 1xwf n THR 56 Cb 0.50 0.20 0.27 0.00 -2.10 0.00 0.00 70.33 69.20 1xwf n THR 56 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xwf h VAL 57 N 1.03 1.21 0.01 2.28 2.07 -1.92 -1.36 116.25 119.57 1xwf h VAL 57 Ca -0.29 -0.88 -0.19 0.00 0.82 0.00 0.00 66.70 66.17 1xwf h VAL 57 Cb 0.91 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1xwf h VAL 57 CO 0.47 0.30 -0.89 -0.33 0.02 0.00 0.00 177.57 177.14 1xwf h GLU 58 N 0.52 0.05 -0.11 1.57 3.07 -1.96 -2.81 114.58 114.91 1xwf h GLU 58 Ca 0.11 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 1xwf h GLU 58 Cb 0.39 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1xwf h GLU 58 CO 0.02 0.90 -0.59 1.15 -1.40 0.00 0.00 179.01 179.09 1xwf h THR 59 N 0.03 1.36 -0.60 1.13 2.02 -1.80 -2.20 112.91 112.85 1xwf h THR 59 Ca -0.02 -1.91 0.02 0.00 0.77 0.00 0.00 66.41 65.27 1xwf h THR 59 Cb 1.55 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.84 1xwf h THR 59 CO 0.12 0.57 0.37 0.00 0.37 0.00 0.00 175.52 176.96 1xwf h ALA 60 N 1.09 0.78 -0.01 6.16 0.00 -1.13 0.38 119.26 126.53 1xwf h ALA 60 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xwf h ALA 60 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xwf h ALA 60 CO 0.10 0.12 -0.19 0.28 0.00 0.00 0.00 179.25 179.56 1xwf h VAL 61 N 0.74 1.14 -0.09 0.00 2.07 -1.23 -1.35 116.25 117.53 1xwf h VAL 61 Ca 0.24 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1xwf h VAL 61 Cb -0.00 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1xwf h VAL 61 CO -0.09 0.20 -0.17 0.25 0.02 0.00 0.00 177.57 177.77 1xwf h LEU 62 N 0.01 0.31 -0.26 2.57 5.85 -0.17 -2.81 115.31 120.81 1xwf h LEU 62 Ca 0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1xwf h LEU 62 Cb 0.35 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1xwf h LEU 62 CO 0.03 0.81 0.17 0.40 -0.34 0.00 0.00 178.44 179.50 1xwf h ILE 63 N -0.17 1.08 0.00 4.05 2.04 -0.12 -1.10 117.51 123.28 1xwf h ILE 63 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1xwf h ILE 63 Cb 0.76 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1xwf h ILE 63 CO 0.04 0.08 0.00 -0.33 0.00 0.00 0.00 178.15 177.94 1xwf h GLU 64 N 0.34 0.00 0.09 2.37 5.08 -1.33 -2.44 114.58 118.70 1xwf h GLU 64 Ca 0.10 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.20 1xwf h GLU 64 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xwf h GLU 64 CO -0.02 0.00 -1.17 1.15 -1.00 0.00 0.00 179.01 177.97 1xwf h THR 65 N 0.00 1.53 -0.23 1.13 2.02 -0.95 -1.83 112.91 114.58 1xwf h THR 65 Ca 0.00 -3.07 -0.20 0.00 0.77 0.00 0.00 66.41 63.91 1xwf h THR 65 Cb 0.35 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1xwf h THR 65 CO 0.00 0.89 -0.65 -0.07 0.37 0.00 0.00 175.52 176.07 1xwf h LEU 66 N 0.07 0.97 -0.14 2.58 3.38 -1.05 -2.51 115.31 118.61 1xwf h LEU 66 Ca -0.11 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1xwf h LEU 66 Cb 1.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1xwf h LEU 66 CO 0.19 1.37 0.04 0.58 0.09 0.00 0.00 178.44 180.71 1xwf h VAL 67 N 0.62 1.20 -0.30 1.22 2.07 -1.51 -2.49 116.25 117.05 1xwf h VAL 67 Ca -0.01 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1xwf h VAL 67 Cb 1.27 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1xwf h VAL 67 CO 0.14 0.18 0.24 0.00 0.02 0.00 0.00 177.57 178.16 1xwf h ALA 68 N 0.84 2.16 -0.26 1.67 0.00 -1.31 1.35 119.26 123.71 1xwf h ALA 68 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xwf h ALA 68 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xwf h ALA 68 CO 0.00 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1xwf n LEU 69 N -4.21 2.50 -2.63 0.00 4.32 -0.95 -4.38 117.00 111.65 1xwf n LEU 69 Ca 0.04 -1.26 -0.02 0.00 -0.02 0.00 0.00 56.01 54.75 1xwf n LEU 69 Cb 0.40 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1xwf n LEU 69 CO 0.33 0.41 -0.28 0.61 -1.22 0.00 0.00 177.39 177.24 1xwf n GLY 70 N 0.52 -3.22 3.50 -0.72 0.00 0.46 -1.05 105.19 104.69 1xwf n GLY 70 Ca 0.11 0.63 -0.17 0.00 0.00 0.00 0.00 46.02 46.59 1xwf n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 71 N -1.78 -1.73 0.05 4.61 0.00 -1.18 0.53 121.76 122.25 1xwf s ALA 71 Ca 0.07 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1xwf s ALA 71 Cb -0.02 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 1xwf s ALA 71 CO 0.70 -0.42 0.47 -1.21 0.00 0.00 0.00 175.76 175.29 1xwf s GLU 72 N -1.56 3.98 -0.00 0.00 0.41 0.24 -4.38 118.70 117.39 1xwf s GLU 72 Ca -0.09 0.48 -0.02 0.00 -0.41 0.00 0.00 54.97 54.92 1xwf s GLU 72 Cb -0.00 -3.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1xwf s GLU 72 CO 0.07 0.64 0.04 0.08 -0.49 0.00 0.00 175.26 175.59 1xwf s VAL 73 N -1.18 0.06 -0.06 2.63 1.01 -1.26 0.06 120.40 121.67 1xwf s VAL 73 Ca 0.28 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1xwf s VAL 73 Cb -0.17 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1xwf s VAL 73 CO 0.16 -0.26 0.00 -0.13 0.00 0.00 0.00 175.10 174.87 1xwf s ARG 74 N -0.80 0.50 0.21 2.72 0.52 -0.71 -4.25 118.95 117.15 1xwf s ARG 74 Ca -0.09 0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.33 1xwf s ARG 74 Cb -0.05 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 1xwf s ARG 74 CO -0.00 -0.25 -0.14 -0.46 0.02 0.00 0.00 175.30 174.47 1xwf s TRP 75 N 1.70 2.49 -0.19 -0.53 -0.11 -0.45 -1.51 118.94 120.35 1xwf s TRP 75 Ca 0.00 -0.28 -0.15 0.00 1.22 0.00 0.00 56.10 56.90 1xwf s TRP 75 Cb -0.13 -1.18 0.05 0.00 -1.50 0.00 0.00 33.47 30.71 1xwf s TRP 75 CO -0.04 0.56 0.48 -1.54 -4.62 0.00 0.00 176.95 171.80 1xwf s SER 76 N -3.03 -0.54 0.30 5.86 1.04 -0.39 -1.12 113.70 115.82 1xwf s SER 76 Ca 0.26 0.99 -0.29 0.00 0.48 0.00 0.00 55.95 57.39 1xwf s SER 76 Cb -0.08 0.97 -0.10 0.00 0.10 0.00 0.00 66.02 66.91 1xwf s SER 76 CO 0.14 -0.18 1.18 -0.55 0.98 0.00 0.00 173.24 174.82 1xwf s SER 77 N 0.62 7.07 0.00 7.02 0.15 -1.26 -2.48 113.70 124.83 1xwf s SER 77 Ca -0.03 2.44 0.30 0.00 0.70 0.00 0.00 55.95 59.36 1xwf s SER 77 Cb -0.05 -2.64 1.69 0.00 -1.71 0.00 0.00 66.02 63.32 1xwf s SER 77 CO -0.04 -0.30 2.10 0.00 1.20 0.00 0.00 173.24 176.20 1xwf s ASN 79 N -2.23 0.84 0.33 0.00 3.84 -1.26 -4.91 114.94 111.54 1xwf s ASN 79 Ca 0.39 -0.56 0.24 0.00 0.21 0.00 0.00 52.86 53.13 1xwf s ASN 79 Cb 0.20 0.04 0.43 0.00 -0.55 0.00 0.00 41.25 41.38 1xwf s ASN 79 CO 0.39 -0.22 1.57 0.16 -2.79 0.00 0.00 177.10 176.22 1xwf h ILE 80 N 4.45 0.00 0.00 -5.21 3.07 -1.90 -3.37 117.51 114.55 1xwf h ILE 80 Ca -0.36 -0.82 -0.06 0.00 1.55 0.00 0.00 64.86 65.18 1xwf h ILE 80 Cb 1.20 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.47 1xwf h ILE 80 CO 0.41 0.00 -1.32 0.49 -1.05 0.00 0.00 178.15 176.68 1xwf n PHE 81 N -2.75 0.00 0.26 0.16 3.72 -1.26 0.13 117.46 117.72 1xwf n PHE 81 Ca 0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.59 1xwf n PHE 81 Cb 0.50 -0.21 0.74 0.00 -0.94 0.00 0.00 39.48 39.57 1xwf n PHE 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xwf h SER 82 N 0.00 0.00 -4.13 4.37 4.64 -1.90 -3.43 113.55 113.10 1xwf h SER 82 Ca -0.08 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.69 1xwf h SER 82 Cb 0.89 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1xwf h SER 82 CO 0.00 0.00 0.48 -0.89 -0.87 0.00 0.00 176.83 175.55 1xwf s THR 83 N -3.67 2.18 -0.42 2.95 2.01 -1.26 -4.49 115.64 112.95 1xwf s THR 83 Ca -0.02 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1xwf s THR 83 Cb 0.09 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.78 1xwf s THR 83 CO 0.31 -0.03 0.19 -1.10 -0.69 0.00 0.00 174.62 173.30 1xwf s GLN 84 N -3.52 1.43 0.37 4.92 -0.21 0.12 -4.62 119.66 118.16 1xwf s GLN 84 Ca 0.80 -2.01 0.24 0.00 0.02 0.00 0.00 55.36 54.40 1xwf s GLN 84 Cb -0.34 -2.74 1.31 0.00 1.00 0.00 0.00 33.01 32.24 1xwf s GLN 84 CO 0.40 -1.08 1.46 -0.25 -2.12 0.00 0.00 175.29 173.71 1xwf n ASP 85 N 3.76 0.27 0.16 5.90 10.43 -1.26 0.16 116.55 135.97 1xwf n ASP 85 Ca 0.05 1.44 0.04 0.00 2.57 0.00 0.00 54.79 58.90 1xwf n ASP 85 Cb 0.36 -0.71 0.09 0.00 1.84 0.00 0.00 41.12 42.71 1xwf n ASP 85 CO 0.00 0.00 0.00 1.12 -1.07 0.00 0.00 177.20 177.25 1xwf h HIS 86 N 0.00 0.00 -0.02 1.24 2.07 -1.91 0.20 115.15 116.74 1xwf h HIS 86 Ca 0.80 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.31 1xwf h HIS 86 Cb 2.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.29 1xwf h HIS 86 CO -0.01 0.42 -0.03 0.00 -3.07 0.00 0.00 177.93 175.25 1xwf h ALA 87 N 1.58 0.02 0.00 6.11 0.00 0.12 -2.74 119.26 124.34 1xwf h ALA 87 Ca -0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1xwf h ALA 87 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1xwf h ALA 87 CO 0.06 -0.16 -0.28 0.00 0.00 0.00 0.00 179.25 178.86 1xwf h ALA 88 N 0.44 1.47 0.70 0.00 0.00 -0.97 -2.77 119.26 118.13 1xwf h ALA 88 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1xwf h ALA 88 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xwf h ALA 88 CO 0.01 0.35 -0.43 0.00 0.00 0.00 0.00 179.25 179.18 1xwf h ALA 89 N 1.72 -1.10 0.01 0.00 0.00 -0.52 -1.64 119.26 117.73 1xwf h ALA 89 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xwf h ALA 89 Cb 0.52 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1xwf h ALA 89 CO 0.04 -1.13 -0.48 0.00 0.00 0.00 0.00 179.25 177.67 1xwf h ALA 90 N -0.86 -0.82 -0.90 0.00 0.00 -1.27 -0.33 119.26 115.07 1xwf h ALA 90 Ca -0.09 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.00 1xwf h ALA 90 Cb 0.86 0.85 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1xwf h ALA 90 CO 0.09 -1.04 0.64 0.82 0.00 0.00 0.00 179.25 179.76 1xwf h ILE 91 N -0.64 0.57 0.24 0.00 2.04 -1.45 0.80 117.51 119.06 1xwf h ILE 91 Ca 0.03 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1xwf h ILE 91 Cb 0.70 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1xwf h ILE 91 CO -0.33 0.01 -0.12 0.00 0.00 0.00 0.00 178.15 177.71 1xwf h ALA 92 N 1.56 -0.32 -0.40 1.87 0.00 -0.11 -2.78 119.26 119.08 1xwf h ALA 92 Ca 0.44 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1xwf h ALA 92 Cb 1.63 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1xwf h ALA 92 CO -0.04 -0.35 0.57 -0.22 0.00 0.00 0.00 179.25 179.21 1xwf h LYS 93 N -0.98 0.00 0.00 0.00 3.11 -0.24 0.91 116.57 119.37 1xwf h LYS 93 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1xwf h LYS 93 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1xwf h LYS 93 CO 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.69 1xwf n ALA 94 N -2.19 2.47 -2.82 5.00 0.00 0.18 -4.86 120.51 118.30 1xwf n ALA 94 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1xwf n ALA 94 Cb 0.73 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1xwf n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwf n GLY 95 N 0.61 0.17 2.98 0.00 0.00 0.31 -5.04 105.19 104.23 1xwf n GLY 95 Ca 0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1xwf n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 96 N -3.16 1.04 -0.17 -0.61 1.01 -1.06 -5.06 121.20 113.20 1xwf s ILE 96 Ca 0.13 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1xwf s ILE 96 Cb -0.06 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1xwf s ILE 96 CO 0.33 0.34 2.07 -2.84 0.00 0.00 0.00 174.94 174.84 1xwf s PRO 97 N 0.93 3.43 -0.03 2.79 0.02 -1.24 -4.21 135.00 136.68 1xwf s PRO 97 Ca -0.10 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.01 1xwf s PRO 97 Cb -0.15 -4.28 0.01 0.00 0.02 0.00 0.00 34.50 30.10 1xwf s PRO 97 CO 0.01 -1.75 -0.08 0.08 -0.33 0.00 0.00 177.00 174.93 1xwf s VAL 98 N 7.03 0.70 -0.57 3.83 1.01 -1.26 -1.34 120.40 129.81 1xwf s VAL 98 Ca 0.93 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1xwf s VAL 98 Cb -0.33 -0.65 0.19 0.00 0.00 0.00 0.00 36.38 35.58 1xwf s VAL 98 CO 0.36 0.24 0.47 0.49 0.00 0.00 0.00 175.10 176.66 1xwf n PHE 99 N 3.55 1.51 -3.83 5.22 3.72 -0.28 0.49 117.46 127.84 1xwf n PHE 99 Ca -0.21 -3.88 -0.12 0.00 -0.05 0.00 0.00 57.45 53.20 1xwf n PHE 99 Cb 0.53 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.69 1xwf n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwf s ALA 100 N -1.03 -0.44 -0.10 4.37 0.00 -0.97 -4.10 121.76 119.49 1xwf s ALA 100 Ca 0.30 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1xwf s ALA 100 Cb 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.19 1xwf s ALA 100 CO -0.16 -0.16 0.99 1.67 0.00 0.00 0.00 175.76 178.10 1xwf s TRP 101 N -0.74 -0.31 0.64 0.00 -2.14 -1.26 -3.96 118.94 111.17 1xwf s TRP 101 Ca -0.08 0.33 -0.18 0.00 2.66 0.00 0.00 56.10 58.83 1xwf s TRP 101 Cb -0.05 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.81 1xwf s TRP 101 CO 0.01 -0.40 1.29 0.21 -2.66 0.00 0.00 176.95 175.40 1xwf s LYS 102 N -2.25 2.58 -0.38 3.25 2.47 -1.26 -4.16 119.74 119.99 1xwf s LYS 102 Ca 0.03 2.04 -0.15 0.00 -1.56 0.00 0.00 55.97 56.34 1xwf s LYS 102 Cb -0.01 -1.85 0.02 0.00 -1.46 0.00 0.00 37.83 34.53 1xwf s LYS 102 CO -0.05 -1.57 0.40 0.41 0.16 0.00 0.00 175.35 174.71 1xwf n GLY 103 N 0.86 -0.27 3.97 5.54 0.00 0.35 -4.95 105.19 110.69 1xwf n GLY 103 Ca 0.16 0.59 -0.21 0.00 0.00 0.00 0.00 46.02 46.56 1xwf n GLY 103 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xwf s GLU 104 N -2.51 3.25 0.38 1.61 -1.05 -1.15 -5.03 118.70 114.21 1xwf s GLU 104 Ca 0.14 -0.80 -0.12 0.00 -0.15 0.00 0.00 54.97 54.04 1xwf s GLU 104 Cb -0.01 -2.79 -0.07 0.00 -0.44 0.00 0.00 34.13 30.81 1xwf s GLU 104 CO 0.56 0.14 0.77 0.95 0.95 0.00 0.00 175.26 178.62 1xwf s THR 105 N -2.18 4.74 0.33 1.83 -4.23 -1.26 -4.80 115.64 110.07 1xwf s THR 105 Ca 0.41 0.76 0.12 0.00 -1.18 0.00 0.00 61.69 61.80 1xwf s THR 105 Cb -0.09 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.39 1xwf s THR 105 CO 0.32 -0.41 1.65 0.44 -0.54 0.00 0.00 174.62 176.08 1xwf h ASP 106 N 1.60 0.35 -0.57 3.99 3.32 -1.99 1.24 116.42 124.36 1xwf h ASP 106 Ca -0.47 0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 1xwf h ASP 106 Cb 1.18 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 1xwf h ASP 106 CO 0.64 -0.18 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.61 1xwf h GLU 107 N 0.26 1.04 -0.43 3.56 3.07 -2.00 -2.47 114.58 117.61 1xwf h GLU 107 Ca 0.70 -0.35 -0.07 0.00 -0.50 0.00 0.00 59.36 59.14 1xwf h GLU 107 Cb 1.60 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.41 1xwf h GLU 107 CO -0.65 1.04 -0.01 0.93 -1.40 0.00 0.00 179.01 178.93 1xwf h GLU 108 N 0.93 0.76 0.13 2.33 5.08 0.91 -1.31 114.58 123.40 1xwf h GLU 108 Ca 0.16 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xwf h GLU 108 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1xwf h GLU 108 CO 0.04 0.84 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.77 1xwf h TYR 109 N 0.59 -0.55 -0.94 4.33 3.20 0.04 0.46 116.97 124.11 1xwf h TYR 109 Ca 0.12 0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.27 1xwf h TYR 109 Cb 0.50 0.22 -0.15 0.00 1.54 0.00 0.00 36.73 38.85 1xwf h TYR 109 CO 0.04 -0.24 0.35 1.25 -1.64 0.00 0.00 178.16 177.92 1xwf h LEU 110 N -0.34 0.17 0.49 2.82 7.12 -1.44 0.24 115.31 124.37 1xwf h LEU 110 Ca -0.02 0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1xwf h LEU 110 Cb 0.31 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1xwf h LEU 110 CO -0.06 -0.17 -0.29 -0.25 -0.13 0.00 0.00 178.44 177.53 1xwf h TRP 111 N 0.23 -0.77 -0.54 1.25 7.01 -0.33 -2.63 115.95 120.16 1xwf h TRP 111 Ca 0.63 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.71 1xwf h TRP 111 Cb 1.37 0.27 -0.10 0.00 -2.10 0.00 0.00 29.16 28.60 1xwf h TRP 111 CO -0.18 -0.45 -0.43 0.00 -2.79 0.00 0.00 178.44 174.59 1xwf h ILE 113 N -0.25 0.30 -0.74 0.00 2.04 -1.30 -1.68 117.51 115.88 1xwf h ILE 113 Ca 0.17 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.22 1xwf h ILE 113 Cb 0.57 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1xwf h ILE 113 CO -0.66 0.00 0.51 -0.33 0.00 0.00 0.00 178.15 177.67 1xwf h GLU 114 N -0.34 0.15 0.00 2.37 5.08 -0.90 0.17 114.58 121.10 1xwf h GLU 114 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xwf h GLU 114 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xwf h GLU 114 CO -0.39 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 178.76 1xwf n GLN 115 N -4.39 0.09 0.00 2.33 1.13 -0.63 -1.55 117.38 114.35 1xwf n GLN 115 Ca 0.15 0.41 0.11 0.00 -1.94 0.00 0.00 57.00 55.73 1xwf n GLN 115 Cb 0.70 -1.70 0.02 0.00 0.11 0.00 0.00 30.24 29.37 1xwf n GLN 115 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1xwf n THR 116 N -1.87 0.00 -0.22 5.09 -2.24 0.58 -4.39 114.28 111.23 1xwf n THR 116 Ca 0.02 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1xwf n THR 116 Cb 0.14 0.75 0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1xwf n THR 116 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xwf h LEU 117 N 0.13 1.02 -8.71 3.22 3.38 -1.35 -3.44 115.31 109.56 1xwf h LEU 117 Ca 0.00 -0.27 -0.66 0.00 0.09 0.00 0.00 57.88 57.04 1xwf h LEU 117 Cb 0.51 -0.27 -0.25 0.00 0.09 0.00 0.00 40.66 40.74 1xwf h LEU 117 CO 0.00 1.03 -0.75 -1.00 0.09 0.00 0.00 178.44 177.81 1xwf s HIS 118 N -5.17 2.83 0.21 1.13 3.76 -1.26 -1.00 115.29 115.79 1xwf s HIS 118 Ca -0.12 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1xwf s HIS 118 Cb 0.14 -1.82 0.03 0.00 1.11 0.00 0.00 32.58 32.03 1xwf s HIS 118 CO 0.84 -0.11 0.26 1.19 -0.85 0.00 0.00 174.74 176.07 1xwf n PHE 119 N 3.30 -2.30 -0.20 1.40 3.01 0.90 -4.98 117.46 118.60 1xwf n PHE 119 Ca -0.18 -0.81 0.07 0.00 1.01 0.00 0.00 57.45 57.55 1xwf n PHE 119 Cb 0.53 -0.19 0.29 0.00 -0.01 0.00 0.00 39.48 40.09 1xwf n PHE 119 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1xwf n LYS 120 N -1.33 3.29 -0.05 -1.08 -0.00 -1.26 -3.52 118.16 114.21 1xwf n LYS 120 Ca 0.04 -2.30 0.01 0.00 -0.00 0.00 0.00 58.31 56.05 1xwf n LYS 120 Cb 0.23 -1.81 0.01 0.00 -0.00 0.00 0.00 35.03 33.45 1xwf n LYS 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xwf n ASP 121 N 0.82 0.86 0.00 -5.58 8.00 -1.26 -5.12 116.55 114.27 1xwf n ASP 121 Ca 0.21 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1xwf n ASP 121 Cb 0.77 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1xwf n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwf n GLY 122 N -0.27 0.66 3.97 0.44 0.00 -1.23 -5.10 105.19 103.67 1xwf n GLY 122 Ca 0.01 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 1xwf n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xwf s PRO 123 N -0.88 1.14 0.73 1.61 0.04 -1.26 -0.07 135.00 136.31 1xwf s PRO 123 Ca 0.00 -0.92 -0.14 0.00 0.04 0.00 0.00 61.00 59.98 1xwf s PRO 123 Cb 0.00 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1xwf s PRO 123 CO 0.00 -1.92 1.17 -0.48 0.04 0.00 0.00 177.00 175.81 1xwf s LEU 124 N -5.47 3.28 0.00 -3.56 2.34 -0.17 -4.70 118.68 110.40 1xwf s LEU 124 Ca 0.71 2.24 0.00 0.00 0.06 0.00 0.00 54.13 57.13 1xwf s LEU 124 Cb -0.04 -4.58 0.00 0.00 -0.56 0.00 0.00 46.19 41.02 1xwf s LEU 124 CO 0.48 -2.18 0.31 -0.46 -1.06 0.00 0.00 176.35 173.44 1xwf n ASN 125 N -2.82 0.61 -3.79 1.48 0.23 -0.90 -4.33 115.26 105.75 1xwf n ASN 125 Ca 0.12 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.03 1xwf n ASN 125 Cb 0.51 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.10 1xwf n ASN 125 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1xwf s MET 126 N -0.02 0.39 -0.09 -3.83 -1.94 -1.10 0.61 119.30 113.32 1xwf s MET 126 Ca 0.00 0.21 0.03 0.00 -1.71 0.00 0.00 55.69 54.22 1xwf s MET 126 Cb 0.00 0.18 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1xwf s MET 126 CO 0.00 -0.07 -0.20 0.42 -0.01 0.00 0.00 175.02 175.16 1xwf s ILE 127 N -0.24 1.73 -0.30 2.53 1.01 -0.34 -1.53 121.20 124.06 1xwf s ILE 127 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1xwf s ILE 127 Cb -0.03 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 41.00 1xwf s ILE 127 CO 0.01 0.49 -0.03 -0.22 0.00 0.00 0.00 174.94 175.19 1xwf s LEU 128 N 0.47 4.07 0.12 2.97 0.20 -0.94 -1.66 118.68 123.92 1xwf s LEU 128 Ca -0.17 -1.74 0.09 0.00 0.69 0.00 0.00 54.13 53.00 1xwf s LEU 128 Cb -0.17 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1xwf s LEU 128 CO 0.07 -0.28 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.06 1xwf s ASP 129 N 1.03 3.97 -0.39 3.68 -1.08 -0.75 -1.50 116.67 121.62 1xwf s ASP 129 Ca 0.00 -0.55 0.12 0.00 -0.52 0.00 0.00 52.55 51.60 1xwf s ASP 129 Cb -0.20 -0.58 0.39 0.00 -1.46 0.00 0.00 42.92 41.07 1xwf s ASP 129 CO -0.06 0.17 0.86 -0.67 0.52 0.00 0.00 175.17 175.99 1xwf n ASP 130 N 0.69 1.94 0.00 -0.34 2.03 -1.08 -3.30 116.55 116.48 1xwf n ASP 130 Ca -0.15 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.07 1xwf n ASP 130 Cb 0.53 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1xwf n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwf n GLY 131 N 0.03 0.25 2.61 0.27 0.00 -1.26 -4.81 105.19 102.27 1xwf n GLY 131 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1xwf n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwf n GLY 132 N 0.00 0.83 0.29 -0.02 0.00 -1.26 -4.26 105.19 100.76 1xwf n GLY 132 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xwf n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 133 N 0.00 0.83 0.28 1.61 5.19 -1.95 0.45 116.42 122.83 1xwf h ASP 133 Ca 0.00 -0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.06 1xwf h ASP 133 Cb 0.00 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 1xwf h ASP 133 CO 0.00 0.93 -0.48 0.25 -3.12 0.00 0.00 179.24 176.81 1xwf h LEU 134 N 0.78 0.26 0.01 1.55 7.12 -1.92 -1.72 115.31 121.38 1xwf h LEU 134 Ca 0.14 -0.12 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1xwf h LEU 134 Cb 0.54 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1xwf h LEU 134 CO 0.03 0.70 -0.01 0.74 -0.13 0.00 0.00 178.44 179.78 1xwf h THR 135 N 0.19 1.55 0.36 1.05 2.02 -1.82 -3.19 112.91 113.08 1xwf h THR 135 Ca 0.01 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 1xwf h THR 135 Cb 0.92 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1xwf h THR 135 CO 0.07 0.49 -0.34 0.78 0.37 0.00 0.00 175.52 176.89 1xwf h ASN 136 N -0.88 -0.93 -0.83 4.18 -0.26 -0.16 -1.35 115.58 115.34 1xwf h ASN 136 Ca -0.00 0.07 0.12 0.00 -0.56 0.00 0.00 56.30 55.93 1xwf h ASN 136 Cb 0.81 0.30 -0.13 0.00 -1.06 0.00 0.00 38.32 38.24 1xwf h ASN 136 CO 0.00 -0.46 -0.34 -0.11 -1.06 0.00 0.00 177.43 175.46 1xwf n LEU 137 N -4.47 -0.57 0.25 1.61 7.94 -0.65 -1.36 117.00 119.75 1xwf n LEU 137 Ca -0.08 1.45 -0.10 0.00 -1.11 0.00 0.00 56.01 56.17 1xwf n LEU 137 Cb 0.32 -0.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1xwf n LEU 137 CO 0.18 -1.30 0.49 0.40 -1.11 0.00 0.00 177.39 176.06 1xwf h ILE 138 N 0.00 0.00 -0.94 1.96 2.04 -1.50 -0.24 117.51 118.83 1xwf h ILE 138 Ca 0.28 -0.03 0.38 0.00 1.00 0.00 0.00 64.86 66.49 1xwf h ILE 138 Cb 0.48 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.39 1xwf h ILE 138 CO -0.82 0.00 0.45 1.41 0.00 0.00 0.00 178.15 179.19 1xwf n HIS 139 N -3.79 1.05 0.93 1.37 8.25 -0.52 -0.20 115.22 122.31 1xwf n HIS 139 Ca -0.08 1.12 0.11 0.00 -0.26 0.00 0.00 57.72 58.60 1xwf n HIS 139 Cb 0.25 -1.48 0.02 0.00 1.12 0.00 0.00 29.99 29.90 1xwf n HIS 139 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xwf n THR 140 N -5.17 0.00 0.00 1.59 -2.24 -0.47 -4.32 114.28 103.68 1xwf n THR 140 Ca 0.34 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1xwf n THR 140 Cb 1.16 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.69 1xwf n THR 140 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xwf n LYS 141 N 0.30 3.04 -1.69 -0.78 5.02 -0.11 -4.86 118.16 119.08 1xwf n LYS 141 Ca 0.10 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1xwf n LYS 141 Cb 0.47 -0.37 0.07 0.00 -0.02 0.00 0.00 35.03 35.18 1xwf n LYS 141 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xwf n HIS 142 N -0.44 0.73 -0.34 2.13 8.25 0.72 -4.91 115.22 121.37 1xwf n HIS 142 Ca 0.00 -1.40 0.30 0.00 -0.26 0.00 0.00 57.72 56.36 1xwf n HIS 142 Cb 0.00 -0.22 0.51 0.00 1.12 0.00 0.00 29.99 31.39 1xwf n HIS 142 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xwf n PRO 143 N -0.34 -0.03 -0.24 -0.41 -0.02 -1.21 -0.95 135.00 131.79 1xwf n PRO 143 Ca 0.15 0.99 -0.08 0.00 -2.02 0.00 0.00 63.50 62.54 1xwf n PRO 143 Cb 0.93 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.43 1xwf n PRO 143 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1xwf h GLN 144 N 0.00 -0.07 -0.30 -0.52 7.50 -1.91 -1.67 115.11 118.14 1xwf h GLN 144 Ca 0.67 0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.91 1xwf h GLN 144 Cb 2.08 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 29.61 1xwf h GLN 144 CO -0.42 -0.05 0.30 -0.07 -1.50 0.00 0.00 178.83 177.09 1xwf h LEU 145 N -0.08 0.00 -0.74 1.46 3.38 -1.45 -3.30 115.31 114.58 1xwf h LEU 145 Ca 0.10 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1xwf h LEU 145 Cb 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 1xwf h LEU 145 CO -0.60 0.00 -0.54 -0.07 0.09 0.00 0.00 178.44 177.31 1xwf h LEU 146 N 0.00 -1.92 -1.81 1.67 -0.00 -1.43 0.68 115.31 112.50 1xwf h LEU 146 Ca 0.14 0.29 0.06 0.00 -0.00 0.00 0.00 57.88 58.37 1xwf h LEU 146 Cb 0.73 0.84 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 1xwf h LEU 146 CO -0.00 -0.31 0.46 0.28 -0.00 0.00 0.00 178.44 178.87 1xwf h SER 147 N -0.17 0.00 0.51 -0.43 0.02 -1.76 0.63 113.55 112.35 1xwf h SER 147 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xwf h SER 147 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1xwf h SER 147 CO -0.79 0.00 -0.63 0.61 -1.14 0.00 0.00 176.83 174.88 1xwf n GLY 148 N -1.36 -1.25 3.73 -3.77 0.00 0.23 -4.86 105.19 97.90 1xwf n GLY 148 Ca 0.03 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1xwf n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 149 N -3.05 5.24 -0.06 -0.61 1.01 0.22 -4.31 121.20 119.64 1xwf s ILE 149 Ca 0.09 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 1xwf s ILE 149 Cb 0.16 -3.73 -0.30 0.00 0.01 0.00 0.00 42.46 38.60 1xwf s ILE 149 CO 0.73 0.36 0.63 -0.09 0.00 0.00 0.00 174.94 176.57 1xwf h ARG 150 N 6.66 0.38 -3.32 2.79 2.43 -0.11 -3.47 114.38 119.74 1xwf h ARG 150 Ca -0.41 -0.65 -0.01 0.00 -0.81 0.00 0.00 59.98 58.10 1xwf h ARG 150 Cb 1.17 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.88 1xwf h ARG 150 CO 0.75 1.31 0.04 0.20 -1.51 0.00 0.00 179.97 180.77 1xwf s GLY 151 N -5.18 0.09 -0.02 2.80 0.00 -1.24 -4.26 107.32 99.49 1xwf s GLY 151 Ca -0.17 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1xwf s GLY 151 CO 0.84 -0.32 -0.04 -0.42 0.00 0.00 0.00 173.10 173.17 1xwf s ILE 152 N -3.93 0.42 -0.23 0.90 1.01 -0.66 -1.20 121.20 117.51 1xwf s ILE 152 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1xwf s ILE 152 Cb -0.02 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 42.08 1xwf s ILE 152 CO 0.03 0.16 -0.10 -0.94 0.00 0.00 0.00 174.94 174.10 1xwf s SER 153 N 0.48 3.87 0.05 3.58 1.04 -0.66 -0.58 113.70 121.48 1xwf s SER 153 Ca -0.06 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1xwf s SER 153 Cb -0.09 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 1xwf s SER 153 CO -0.00 -0.18 0.16 -1.61 0.98 0.00 0.00 173.24 172.59 1xwf s GLU 154 N 1.28 3.25 0.00 4.02 0.41 -1.11 -1.81 118.70 124.74 1xwf s GLU 154 Ca -0.05 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 1xwf s GLU 154 Cb -0.18 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 1xwf s GLU 154 CO -0.07 0.61 0.45 -1.91 -0.49 0.00 0.00 175.26 173.85 1xwf n GLU 155 N 0.53 0.31 -5.11 1.61 2.13 -1.21 -1.01 120.64 117.89 1xwf n GLU 155 Ca -0.08 -0.54 -0.31 0.00 0.66 0.00 0.00 57.16 56.88 1xwf n GLU 155 Cb 0.52 -0.74 -0.15 0.00 0.27 0.00 0.00 31.44 31.34 1xwf n GLU 155 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xwf s THR 156 N -0.20 2.39 0.17 6.31 -4.23 -1.26 -4.43 115.64 114.39 1xwf s THR 156 Ca 0.00 -1.04 -0.23 0.00 -1.18 0.00 0.00 61.69 59.24 1xwf s THR 156 Cb 0.00 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1xwf s THR 156 CO 0.00 0.54 1.60 0.74 -0.54 0.00 0.00 174.62 176.96 1xwf h THR 157 N 4.38 0.22 -0.10 3.99 2.02 -1.98 0.93 112.91 122.38 1xwf h THR 157 Ca -0.45 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1xwf h THR 157 Cb 1.13 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1xwf h THR 157 CO 0.48 0.00 -0.10 0.71 0.37 0.00 0.00 175.52 176.97 1xwf h THR 158 N -0.25 1.13 0.06 3.16 1.35 -1.96 -0.41 112.91 116.00 1xwf h THR 158 Ca 0.18 -0.59 -0.08 0.00 -0.55 0.00 0.00 66.41 65.37 1xwf h THR 158 Cb 0.54 1.18 0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1xwf h THR 158 CO -0.55 0.18 -0.35 1.23 -0.25 0.00 0.00 175.52 175.78 1xwf h GLY 159 N 0.57 0.15 0.34 5.82 0.00 -1.25 -3.12 103.07 105.58 1xwf h GLY 159 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.02 1xwf h GLY 159 CO 0.02 0.33 -0.25 -2.08 0.00 0.00 0.00 176.54 174.55 1xwf h VAL 160 N -0.71 0.41 -0.22 4.60 2.07 0.10 -1.87 116.25 120.63 1xwf h VAL 160 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1xwf h VAL 160 Cb 1.26 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1xwf h VAL 160 CO 0.07 0.00 -0.55 -0.74 0.02 0.00 0.00 177.57 176.37 1xwf h HIS 161 N -0.35 -1.63 -0.77 1.57 6.17 -1.21 0.41 115.15 119.33 1xwf h HIS 161 Ca 0.08 0.07 0.22 0.00 0.71 0.00 0.00 60.37 61.45 1xwf h HIS 161 Cb 0.47 0.74 -0.03 0.00 2.52 0.00 0.00 27.41 31.11 1xwf h HIS 161 CO -0.32 -0.53 0.62 -0.97 0.71 0.00 0.00 177.93 177.44 1xwf h ASN 162 N -0.53 0.00 0.13 3.26 -1.24 -1.42 0.26 115.58 116.05 1xwf h ASN 162 Ca 0.05 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1xwf h ASN 162 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1xwf h ASN 162 CO -0.49 0.00 -0.06 -0.07 -1.29 0.00 0.00 177.43 175.52 1xwf h LEU 163 N 0.00 -0.15 -0.98 0.34 3.38 -0.13 -1.40 115.31 116.37 1xwf h LEU 163 Ca 0.37 -0.38 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1xwf h LEU 163 Cb 1.60 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 1xwf h LEU 163 CO -0.00 0.35 0.60 1.88 0.09 0.00 0.00 178.44 181.35 1xwf h TYR 164 N -0.70 1.06 0.65 1.13 0.05 0.43 -0.05 116.97 119.55 1xwf h TYR 164 Ca -0.02 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 1xwf h TYR 164 Cb 0.52 -0.32 0.01 0.00 1.01 0.00 0.00 36.73 37.94 1xwf h TYR 164 CO 0.08 0.31 -0.31 -0.22 -1.05 0.00 0.00 178.16 176.96 1xwf h LYS 165 N 0.83 -0.85 -0.94 4.88 3.64 -0.86 0.61 116.57 123.89 1xwf h LYS 165 Ca 0.53 0.06 0.24 0.00 -1.27 0.00 0.00 60.65 60.21 1xwf h LYS 165 Cb 0.71 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.60 1xwf h LYS 165 CO -0.34 -0.56 0.47 0.52 -2.27 0.00 0.00 179.45 177.26 1xwf h MET 166 N -0.96 0.43 -0.24 1.90 2.86 -0.89 0.44 114.93 118.47 1xwf h MET 166 Ca -0.09 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1xwf h MET 166 Cb 0.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1xwf h MET 166 CO 0.15 0.28 -0.06 1.98 1.06 0.00 0.00 176.91 180.32 1xwf h MET 167 N 0.44 0.47 -0.04 1.72 1.85 -0.86 1.26 114.93 119.76 1xwf h MET 167 Ca 0.60 -0.18 -0.02 0.00 -0.61 0.00 0.00 59.70 59.50 1xwf h MET 167 Cb 1.18 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.18 1xwf h MET 167 CO -0.53 0.69 -0.05 0.00 -0.40 0.00 0.00 176.91 176.63 1xwf h ALA 168 N 0.76 1.85 -0.55 0.39 0.00 0.34 -2.08 119.26 119.98 1xwf h ALA 168 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xwf h ALA 168 Cb 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1xwf h ALA 168 CO 0.02 0.11 0.09 0.09 0.00 0.00 0.00 179.25 179.56 1xwf n ASN 169 N -4.45 4.87 -2.89 0.00 3.02 0.12 -4.95 115.26 110.98 1xwf n ASN 169 Ca -0.02 -3.10 -0.21 0.00 -0.03 0.00 0.00 54.58 51.22 1xwf n ASN 169 Cb 0.15 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 38.66 1xwf n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwf n GLY 170 N 0.01 -0.51 0.13 7.41 0.00 -0.77 -4.87 105.19 106.59 1xwf n GLY 170 Ca 0.31 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 1xwf n GLY 170 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xwf n ILE 171 N -4.18 1.11 -1.67 -0.61 5.41 0.42 -4.94 119.36 114.91 1xwf n ILE 171 Ca -0.13 -0.41 -0.50 0.00 1.00 0.00 0.00 62.75 62.71 1xwf n ILE 171 Cb 0.62 -1.25 -0.05 0.00 -0.71 0.00 0.00 39.64 38.24 1xwf n ILE 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1xwf n LEU 172 N -3.16 2.84 -0.10 1.39 7.94 -0.60 -4.82 117.00 120.48 1xwf n LEU 172 Ca -0.35 1.05 0.07 0.00 -1.11 0.00 0.00 56.01 55.67 1xwf n LEU 172 Cb 0.86 -1.32 0.11 0.00 0.53 0.00 0.00 43.42 43.60 1xwf n LEU 172 CO 0.17 -0.36 0.56 0.29 -1.11 0.00 0.00 177.39 176.94 1xwf n LYS 173 N 4.73 1.84 -3.86 1.96 5.02 -1.26 -4.83 118.16 121.75 1xwf n LYS 173 Ca 0.21 -2.30 -0.11 0.00 -2.02 0.00 0.00 58.31 54.09 1xwf n LYS 173 Cb 0.24 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1xwf n LYS 173 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xwf s VAL 174 N -2.35 0.05 0.35 -0.18 1.01 -1.26 -4.84 120.40 113.18 1xwf s VAL 174 Ca 0.24 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 1xwf s VAL 174 Cb 0.21 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 36.19 1xwf s VAL 174 CO 0.03 -0.21 1.06 -2.16 0.00 0.00 0.00 175.10 173.81 1xwf s PRO 175 N -0.71 4.36 0.20 2.72 0.04 -1.26 -4.18 135.00 136.17 1xwf s PRO 175 Ca -0.08 1.60 0.08 0.00 0.04 0.00 0.00 61.00 62.63 1xwf s PRO 175 Cb -0.05 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1xwf s PRO 175 CO 0.01 0.01 -0.14 0.00 0.04 0.00 0.00 177.00 176.92 1xwf s ALA 176 N -1.48 1.99 -0.21 8.56 0.00 -0.02 -1.66 121.76 128.94 1xwf s ALA 176 Ca 0.53 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1xwf s ALA 176 Cb -0.25 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1xwf s ALA 176 CO 0.32 0.07 -0.10 0.42 0.00 0.00 0.00 175.76 176.47 1xwf s ILE 177 N -2.95 1.68 -0.92 0.00 1.01 0.25 0.26 121.20 120.53 1xwf s ILE 177 Ca 0.22 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1xwf s ILE 177 Cb -0.01 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 1xwf s ILE 177 CO 0.06 0.13 1.71 0.21 0.00 0.00 0.00 174.94 177.05 1xwf s ASN 178 N 1.37 5.74 0.29 3.58 2.47 0.77 -2.76 114.94 126.40 1xwf s ASN 178 Ca -0.02 -0.90 0.06 0.00 0.42 0.00 0.00 52.86 52.42 1xwf s ASN 178 Cb -0.17 -2.56 0.45 0.00 -1.45 0.00 0.00 41.25 37.52 1xwf s ASN 178 CO -0.08 -2.19 1.71 0.58 -3.72 0.00 0.00 177.10 173.40 1xwf h VAL 179 N 6.99 1.30 -0.28 -5.21 2.07 -1.32 -3.22 116.25 116.57 1xwf h VAL 179 Ca 0.09 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1xwf h VAL 179 Cb 1.02 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1xwf h VAL 179 CO 1.30 0.44 0.34 -1.13 0.02 0.00 0.00 177.57 178.54 1xwf h ASN 180 N 0.24 0.00 -0.36 0.57 -1.24 -1.76 -2.40 115.58 110.64 1xwf h ASN 180 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1xwf h ASN 180 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 1xwf h ASN 180 CO 0.06 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.67 1xwf n ASP 181 N -3.67 3.87 -4.87 1.15 10.43 -1.21 -3.35 116.55 118.89 1xwf n ASP 181 Ca 0.04 -2.56 -0.31 0.00 2.57 0.00 0.00 54.79 54.54 1xwf n ASP 181 Cb 0.48 -0.61 0.01 0.00 1.84 0.00 0.00 41.12 42.84 1xwf n ASP 181 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xwf s SER 182 N -0.49 6.19 -0.06 -2.24 0.01 -0.90 -4.91 113.70 111.30 1xwf s SER 182 Ca 0.33 1.38 -0.20 0.00 1.31 0.00 0.00 55.95 58.77 1xwf s SER 182 Cb 0.25 -2.43 -0.15 0.00 0.21 0.00 0.00 66.02 63.90 1xwf s SER 182 CO 0.10 -0.88 0.83 0.58 0.41 0.00 0.00 173.24 174.28 1xwf h VAL 183 N -0.31 0.83 0.00 3.43 2.07 -1.91 -1.19 116.25 119.17 1xwf h VAL 183 Ca -0.44 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1xwf h VAL 183 Cb 1.19 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1xwf h VAL 183 CO 0.62 0.22 0.12 0.71 0.02 0.00 0.00 177.57 179.26 1xwf h THR 184 N -0.88 0.00 0.03 2.57 1.35 -1.94 0.21 112.91 114.25 1xwf h THR 184 Ca -0.02 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.46 1xwf h THR 184 Cb 0.52 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.46 1xwf h THR 184 CO 0.03 0.00 -2.18 -3.20 -0.25 0.00 0.00 175.52 169.92 1xwf n ASN 185 N -2.48 1.99 0.43 5.36 2.85 -1.21 -3.94 115.26 118.26 1xwf n ASN 185 Ca -0.02 0.15 -0.17 0.00 -0.11 0.00 0.00 54.58 54.43 1xwf n ASN 185 Cb 0.16 -0.71 -0.08 0.00 1.24 0.00 0.00 39.78 40.39 1xwf n ASN 185 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xwf h SER 186 N -0.38 -0.94 -0.64 1.20 0.87 -0.47 -1.54 113.55 111.64 1xwf h SER 186 Ca -0.53 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.15 1xwf h SER 186 Cb 1.77 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.91 1xwf h SER 186 CO -0.14 -0.62 0.28 0.11 -0.53 0.00 0.00 176.83 175.92 1xwf h LYS 187 N -1.22 0.48 0.12 2.24 1.79 -1.21 0.32 116.57 119.09 1xwf h LYS 187 Ca -0.11 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1xwf h LYS 187 Cb 0.85 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1xwf h LYS 187 CO 0.19 0.32 -0.06 0.74 -1.08 0.00 0.00 179.45 179.55 1xwf h PHE 188 N 0.49 -0.15 -0.04 -1.35 -1.00 -1.68 0.53 116.94 113.75 1xwf h PHE 188 Ca 0.32 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.07 1xwf h PHE 188 Cb 0.36 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1xwf h PHE 188 CO -0.14 0.34 -0.11 0.22 -1.61 0.00 0.00 178.31 177.00 1xwf h ASP 189 N -0.86 0.05 0.00 2.17 -0.00 -1.28 0.53 116.42 117.03 1xwf h ASP 189 Ca -0.02 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.03 56.73 1xwf h ASP 189 Cb 0.55 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.33 39.83 1xwf h ASP 189 CO 0.03 0.17 -1.75 0.59 -0.00 0.00 0.00 179.24 178.28 1xwf n ASN 190 N -4.37 1.92 -0.04 2.28 5.03 0.10 -4.46 115.26 115.71 1xwf n ASN 190 Ca -0.02 0.39 -0.02 0.00 0.87 0.00 0.00 54.58 55.80 1xwf n ASN 190 Cb 0.20 -0.84 -0.01 0.00 -1.02 0.00 0.00 39.78 38.12 1xwf n ASN 190 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1xwf h LEU 191 N -1.00 0.00 -1.19 3.41 6.46 -0.11 -3.19 115.31 119.69 1xwf h LEU 191 Ca -0.41 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.28 1xwf h LEU 191 Cb 1.31 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1xwf h LEU 191 CO -0.25 0.40 -0.18 1.88 -0.62 0.00 0.00 178.44 179.67 1xwf h TYR 192 N -0.58 0.37 0.93 1.25 0.05 -1.29 -1.28 116.97 116.42 1xwf h TYR 192 Ca 0.00 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 1xwf h TYR 192 Cb 0.21 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 37.86 1xwf h TYR 192 CO -0.09 0.51 -0.45 0.78 -1.05 0.00 0.00 178.16 177.86 1xwf h GLY 193 N 0.90 -1.31 2.00 3.88 0.00 -0.13 -2.24 103.07 106.18 1xwf h GLY 193 Ca 0.06 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.82 1xwf h GLY 193 CO 0.03 -0.48 -0.24 0.00 0.00 0.00 0.00 176.54 175.86 1xwf h ARG 195 N 0.00 1.08 0.00 0.00 2.43 -1.11 -1.10 114.38 115.68 1xwf h ARG 195 Ca -0.00 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 1xwf h ARG 195 Cb 0.59 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xwf h ARG 195 CO 0.03 1.05 -0.49 0.93 -1.51 0.00 0.00 179.97 179.98 1xwf h GLU 196 N 0.98 0.00 -0.04 0.20 4.39 -1.19 -3.36 114.58 115.56 1xwf h GLU 196 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1xwf h GLU 196 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1xwf h GLU 196 CO 0.03 0.49 0.00 -1.13 -1.16 0.00 0.00 179.01 177.24 1xwf n SER 197 N -3.44 2.16 0.04 1.42 3.41 -1.10 -4.58 113.62 111.52 1xwf n SER 197 Ca 0.00 -2.15 -0.10 0.00 -0.26 0.00 0.00 58.87 56.36 1xwf n SER 197 Cb 0.63 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1xwf n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xwf h LEU 198 N 0.22 -0.16 -1.53 1.04 5.85 -1.35 -2.94 115.31 116.44 1xwf h LEU 198 Ca 0.00 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1xwf h LEU 198 Cb 0.60 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1xwf h LEU 198 CO 0.00 0.43 -0.12 0.40 -0.34 0.00 0.00 178.44 178.81 1xwf h ILE 199 N -0.89 1.15 -0.03 4.05 5.03 -1.84 -2.18 117.51 122.81 1xwf h ILE 199 Ca -0.02 -0.65 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 1xwf h ILE 199 Cb 0.53 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 35.52 1xwf h ILE 199 CO 0.03 0.20 0.01 -0.78 -0.68 0.00 0.00 178.15 176.93 1xwf h ASP 200 N 0.15 0.02 -0.45 1.72 3.58 -1.81 0.71 116.42 120.34 1xwf h ASP 200 Ca 0.03 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.54 1xwf h ASP 200 Cb 0.31 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1xwf h ASP 200 CO 0.02 0.02 0.15 1.23 -2.88 0.00 0.00 179.24 177.77 1xwf h GLY 201 N 0.03 0.58 1.06 -0.78 0.00 -1.25 -1.44 103.07 101.28 1xwf h GLY 201 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1xwf h GLY 201 CO -0.01 0.01 0.07 -2.22 0.00 0.00 0.00 176.54 174.38 1xwf h ILE 202 N 0.31 1.26 0.62 2.60 2.04 -0.76 -2.42 117.51 121.16 1xwf h ILE 202 Ca 0.21 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1xwf h ILE 202 Cb 0.22 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1xwf h ILE 202 CO -0.23 0.39 -0.30 0.11 0.00 0.00 0.00 178.15 178.13 1xwf h LYS 203 N 0.97 -0.81 -0.83 2.37 1.79 0.96 0.41 116.57 121.43 1xwf h LYS 203 Ca 0.19 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.81 1xwf h LYS 203 Cb 0.48 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 31.24 1xwf h LYS 203 CO 0.02 -0.50 0.47 0.00 -1.08 0.00 0.00 179.45 178.36 1xwf h ARG 204 N -0.98 0.74 0.06 3.15 3.08 -1.35 3.28 114.38 122.37 1xwf h ARG 204 Ca -0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1xwf h ARG 204 Cb 0.68 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1xwf h ARG 204 CO 0.14 0.49 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 1xwf h ALA 205 N 1.47 -0.75 0.00 0.04 0.00 -1.30 -3.39 119.26 115.33 1xwf h ALA 205 Ca 0.41 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1xwf h ALA 205 Cb 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xwf h ALA 205 CO -0.27 -0.74 -1.54 0.25 0.00 0.00 0.00 179.25 176.95 1xwf n THR 206 N -2.29 0.59 -1.67 0.00 -2.24 0.12 -4.95 114.28 103.84 1xwf n THR 206 Ca -0.01 -0.59 -0.21 0.00 -2.27 0.00 0.00 64.05 60.97 1xwf n THR 206 Cb 0.03 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 1xwf n THR 206 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xwf n ASP 207 N -2.58 -5.54 -4.81 3.42 8.00 1.09 -4.93 116.55 111.20 1xwf n ASP 207 Ca -0.06 0.47 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 1xwf n ASP 207 Cb 0.67 -4.86 0.05 0.00 -0.02 0.00 0.00 41.12 36.96 1xwf n ASP 207 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xwf s VAL 208 N -2.79 3.87 -0.01 2.53 0.11 -1.26 -5.02 120.40 117.82 1xwf s VAL 208 Ca 0.00 0.64 -0.25 0.00 -2.93 0.00 0.00 61.98 59.44 1xwf s VAL 208 Cb 0.00 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1xwf s VAL 208 CO 0.00 -0.76 0.76 -0.32 -3.33 0.00 0.00 175.10 171.45 1xwf s MET 209 N -4.89 4.47 -0.05 1.54 1.75 -1.26 -4.85 119.30 116.01 1xwf s MET 209 Ca 0.59 1.02 -0.14 0.00 -1.25 0.00 0.00 55.69 55.92 1xwf s MET 209 Cb -0.15 -3.42 -0.31 0.00 2.84 0.00 0.00 34.83 33.80 1xwf s MET 209 CO 0.53 0.14 0.70 0.82 -0.65 0.00 0.00 175.02 176.56 1xwf h ILE 210 N 4.51 1.06 -4.11 10.11 1.08 -1.95 -3.45 117.51 124.76 1xwf h ILE 210 Ca -0.42 -2.51 -0.55 0.00 -0.39 0.00 0.00 64.86 60.99 1xwf h ILE 210 Cb 1.20 2.83 0.18 0.00 -3.07 0.00 0.00 36.82 37.96 1xwf h ILE 210 CO 0.73 0.80 0.36 0.00 -0.69 0.00 0.00 178.15 179.35 1xwf n ALA 211 N -2.86 0.31 0.00 1.87 0.00 -1.25 -2.39 120.51 116.19 1xwf n ALA 211 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1xwf n ALA 211 Cb 1.01 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1xwf n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwf n GLY 212 N 0.74 1.74 3.90 0.00 0.00 -0.89 -4.82 105.19 105.87 1xwf n GLY 212 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1xwf n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s LYS 213 N 0.00 3.64 -0.33 1.61 1.02 -1.00 -4.86 119.74 119.81 1xwf s LYS 213 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 55.97 55.82 1xwf s LYS 213 Cb 0.00 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1xwf s LYS 213 CO 0.00 0.29 0.36 0.08 -0.92 0.00 0.00 175.35 175.16 1xwf s VAL 214 N -1.95 5.17 -0.17 3.17 1.01 -1.26 -0.10 120.40 126.28 1xwf s VAL 214 Ca 0.43 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1xwf s VAL 214 Cb -0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1xwf s VAL 214 CO 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.28 1xwf s ALA 215 N 2.01 2.90 -0.21 5.51 0.00 -0.32 0.11 121.76 131.77 1xwf s ALA 215 Ca 0.12 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1xwf s ALA 215 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1xwf s ALA 215 CO 0.11 0.00 0.30 0.08 0.00 0.00 0.00 175.76 176.26 1xwf s VAL 216 N 0.74 5.27 -0.21 0.00 1.01 0.26 -1.23 120.40 126.24 1xwf s VAL 216 Ca -0.02 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1xwf s VAL 216 Cb -0.15 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1xwf s VAL 216 CO 0.02 0.30 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 1xwf s VAL 217 N 1.16 1.95 -0.41 2.92 1.01 -0.17 -1.13 120.40 125.72 1xwf s VAL 217 Ca 0.15 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1xwf s VAL 217 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1xwf s VAL 217 CO 0.06 0.26 0.61 0.00 0.00 0.00 0.00 175.10 176.04 1xwf s ALA 218 N 1.28 3.39 0.00 5.51 0.00 -0.47 -2.45 121.76 129.01 1xwf s ALA 218 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1xwf s ALA 218 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1xwf s ALA 218 CO -0.09 -1.60 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1xwf n GLY 219 N 4.93 2.49 1.54 0.00 0.00 0.17 -1.23 105.19 113.09 1xwf n GLY 219 Ca -0.02 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 1xwf n GLY 219 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwf n TYR 220 N 1.66 1.79 0.00 1.61 9.36 -1.26 -4.18 117.16 126.13 1xwf n TYR 220 Ca 0.00 -1.67 0.00 0.00 3.32 0.00 0.00 57.90 59.55 1xwf n TYR 220 Cb 0.00 -0.65 0.00 0.00 -0.63 0.00 0.00 39.34 38.06 1xwf n TYR 220 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xwf n GLY 221 N -1.10 -1.89 0.24 2.98 0.00 -1.26 -4.35 105.19 99.81 1xwf n GLY 221 Ca 0.42 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1xwf n GLY 221 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 222 N 0.00 -0.45 -0.48 1.61 3.32 -1.94 0.11 116.42 118.59 1xwf h ASP 222 Ca 0.00 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.01 1xwf h ASP 222 Cb 0.00 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1xwf h ASP 222 CO 0.00 -0.15 0.16 0.58 -1.72 0.00 0.00 179.24 178.12 1xwf h VAL 223 N -0.77 0.83 -0.65 -1.35 2.07 -1.89 0.00 116.25 114.49 1xwf h VAL 223 Ca -0.05 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1xwf h VAL 223 Cb 0.52 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1xwf h VAL 223 CO 0.09 0.06 0.38 1.23 0.02 0.00 0.00 177.57 179.35 1xwf h GLY 224 N 0.33 0.95 0.87 2.17 0.00 -1.70 -1.74 103.07 103.96 1xwf h GLY 224 Ca 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1xwf h GLY 224 CO -0.24 0.38 0.06 0.50 0.00 0.00 0.00 176.54 177.24 1xwf h LYS 225 N 0.90 0.39 -0.64 4.80 1.57 0.10 -1.58 116.57 122.11 1xwf h LYS 225 Ca 0.23 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1xwf h LYS 225 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1xwf h LYS 225 CO -0.04 0.50 0.18 0.78 -0.57 0.00 0.00 179.45 180.30 1xwf h GLY 226 N 0.22 1.06 1.24 3.86 0.00 -0.80 -1.65 103.07 107.01 1xwf h GLY 226 Ca 0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1xwf h GLY 226 CO 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 176.54 176.82 1xwf h ALA 228 N 0.94 1.31 0.07 0.00 0.00 -1.01 0.13 119.26 120.70 1xwf h ALA 228 Ca 0.08 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1xwf h ALA 228 Cb 0.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xwf h ALA 228 CO 0.07 0.47 -1.17 0.37 0.00 0.00 0.00 179.25 178.99 1xwf h GLN 229 N 0.29 0.15 0.26 0.00 4.15 -1.11 -2.62 115.11 116.23 1xwf h GLN 229 Ca 0.05 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 1xwf h GLN 229 Cb 0.54 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1xwf h GLN 229 CO 0.04 1.11 -0.12 0.00 -1.93 0.00 0.00 178.83 177.92 1xwf h ALA 230 N 0.76 -0.35 -0.97 3.38 0.00 -0.42 -1.82 119.26 119.85 1xwf h ALA 230 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xwf h ALA 230 Cb 1.89 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 1xwf h ALA 230 CO 0.17 -0.51 0.64 -0.07 0.00 0.00 0.00 179.25 179.48 1xwf h LEU 231 N -0.73 1.09 -0.78 0.00 3.38 -0.87 -2.29 115.31 115.11 1xwf h LEU 231 Ca -0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1xwf h LEU 231 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xwf h LEU 231 CO 0.06 0.77 -0.53 -0.09 0.09 0.00 0.00 178.44 178.74 1xwf h ARG 232 N 1.28 0.22 0.00 1.13 2.43 -1.50 -2.49 114.38 115.44 1xwf h ARG 232 Ca 0.37 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1xwf h ARG 232 Cb -0.09 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1xwf h ARG 232 CO -0.10 0.69 -0.03 0.78 -1.51 0.00 0.00 179.97 179.81 1xwf h GLY 233 N 1.40 0.00 1.48 2.80 0.00 -0.73 -1.98 103.07 106.03 1xwf h GLY 233 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xwf h GLY 233 CO 0.08 0.00 -0.59 0.74 0.00 0.00 0.00 176.54 176.77 1xwf h PHE 234 N 0.00 0.00 0.00 5.60 0.04 -1.35 -3.48 116.94 117.75 1xwf h PHE 234 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xwf h PHE 234 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1xwf h PHE 234 CO 0.00 0.08 0.00 0.41 -0.60 0.00 0.00 178.31 178.20 1xwf n GLY 235 N 1.17 1.16 3.89 -1.45 0.00 -0.75 -3.88 105.19 105.34 1xwf n GLY 235 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1xwf n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 236 N -2.00 3.26 -0.40 4.61 0.00 -1.11 -2.08 121.76 124.05 1xwf s ALA 236 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 1xwf s ALA 236 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1xwf s ALA 236 CO 0.00 -0.56 0.27 0.50 0.00 0.00 0.00 175.76 175.97 1xwf s ARG 237 N -4.95 2.92 0.00 0.00 3.52 0.86 -4.49 118.95 116.82 1xwf s ARG 237 Ca 0.51 -1.04 -0.19 0.00 -0.13 0.00 0.00 55.73 54.88 1xwf s ARG 237 Cb -0.11 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 1xwf s ARG 237 CO 0.48 -0.73 0.55 0.08 -0.81 0.00 0.00 175.30 174.87 1xwf s VAL 238 N 1.64 4.91 -0.05 7.11 1.01 -1.26 -1.17 120.40 132.59 1xwf s VAL 238 Ca 0.04 1.15 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1xwf s VAL 238 Cb -0.19 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xwf s VAL 238 CO 0.09 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.80 1xwf s ILE 239 N -0.45 1.85 0.04 2.22 1.01 -0.37 -3.60 121.20 121.90 1xwf s ILE 239 Ca 0.29 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 60.07 1xwf s ILE 239 Cb -0.18 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1xwf s ILE 239 CO 0.16 0.52 -0.25 -0.63 0.00 0.00 0.00 174.94 174.74 1xwf s ILE 240 N -0.17 2.24 -0.01 2.92 1.01 0.12 -1.00 121.20 126.31 1xwf s ILE 240 Ca -0.02 -1.36 0.05 0.00 0.00 0.00 0.00 60.65 59.33 1xwf s ILE 240 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1xwf s ILE 240 CO 0.03 0.37 -0.17 0.42 0.00 0.00 0.00 174.94 175.58 1xwf s THR 241 N -0.82 2.88 0.08 2.92 -4.23 -1.03 -1.18 115.64 114.26 1xwf s THR 241 Ca 0.12 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1xwf s THR 241 Cb -0.10 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1xwf s THR 241 CO 0.02 0.48 0.40 -1.61 -0.54 0.00 0.00 174.62 173.37 1xwf s GLU 242 N -1.04 0.98 -0.03 3.99 0.41 -1.26 -0.66 118.70 121.08 1xwf s GLU 242 Ca 0.13 -0.54 0.09 0.00 -0.41 0.00 0.00 54.97 54.24 1xwf s GLU 242 Cb -0.11 0.43 -0.14 0.00 -1.78 0.00 0.00 34.13 32.54 1xwf s GLU 242 CO 0.03 -0.36 0.17 0.44 -0.49 0.00 0.00 175.26 175.05 1xwf n ILE 243 N 0.17 0.15 -3.22 -1.63 -5.35 -1.26 -4.94 119.36 103.28 1xwf n ILE 243 Ca -0.17 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.64 1xwf n ILE 243 Cb 0.62 0.02 -0.08 0.00 -1.74 0.00 0.00 39.64 38.46 1xwf n ILE 243 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xwf s ASP 244 N -3.35 6.39 0.62 7.28 3.68 -1.26 -4.96 116.67 125.07 1xwf s ASP 244 Ca -0.04 0.29 0.38 0.00 2.13 0.00 0.00 52.55 55.30 1xwf s ASP 244 Cb 0.05 -2.28 2.08 0.00 -1.45 0.00 0.00 42.92 41.32 1xwf s ASP 244 CO 0.39 -0.39 2.29 1.55 0.13 0.00 0.00 175.17 179.13 1xwf h PRO 245 N 8.23 0.00 0.04 4.34 0.13 -1.99 -1.85 132.00 140.89 1xwf h PRO 245 Ca -0.28 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.60 1xwf h PRO 245 Cb 1.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.28 1xwf h PRO 245 CO 0.75 0.01 -0.99 0.82 -0.23 0.00 0.00 178.00 178.36 1xwf h ILE 246 N 0.00 1.32 -0.39 -3.56 2.04 -2.00 -2.54 117.51 112.39 1xwf h ILE 246 Ca -0.00 -2.27 -0.11 0.00 1.00 0.00 0.00 64.86 63.47 1xwf h ILE 246 Cb 0.06 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1xwf h ILE 246 CO 0.00 0.69 -0.22 0.78 0.00 0.00 0.00 178.15 179.40 1xwf h ASN 247 N 0.23 0.78 -0.11 1.72 2.35 -1.85 -1.56 115.58 117.14 1xwf h ASN 247 Ca -0.13 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.25 1xwf h ASN 247 Cb 1.67 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 1xwf h ASN 247 CO 0.19 0.98 -0.21 0.00 -1.65 0.00 0.00 177.43 176.75 1xwf h ALA 248 N 1.08 1.12 -0.11 -0.83 0.00 -1.40 -1.07 119.26 118.06 1xwf h ALA 248 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1xwf h ALA 248 Cb 0.73 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xwf h ALA 248 CO 0.06 0.55 -0.06 1.25 0.00 0.00 0.00 179.25 181.05 1xwf h LEU 249 N 0.47 0.23 -0.44 0.00 5.85 -1.19 -2.07 115.31 118.15 1xwf h LEU 249 Ca 0.07 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1xwf h LEU 249 Cb 0.62 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 1xwf h LEU 249 CO 0.04 0.60 -0.33 1.56 -0.34 0.00 0.00 178.44 179.98 1xwf h GLN 250 N -0.14 -0.22 0.24 1.25 4.20 -0.97 -0.92 115.11 118.55 1xwf h GLN 250 Ca 0.02 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xwf h GLN 250 Cb 0.52 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 1xwf h GLN 250 CO 0.02 -0.15 -0.45 0.00 -0.67 0.00 0.00 178.83 177.58 1xwf h ALA 251 N 0.81 -0.88 -0.72 3.87 0.00 -1.11 -2.02 119.26 119.20 1xwf h ALA 251 Ca 0.19 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1xwf h ALA 251 Cb 0.54 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1xwf h ALA 251 CO -0.57 -1.05 0.59 0.00 0.00 0.00 0.00 179.25 178.21 1xwf h ALA 252 N -0.41 2.60 -0.00 0.00 0.00 -0.66 0.16 119.26 120.95 1xwf h ALA 252 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xwf h ALA 252 Cb 0.74 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xwf h ALA 252 CO -0.18 -0.96 -0.04 -1.33 0.00 0.00 0.00 179.25 176.74 1xwf n MET 253 N -4.05 0.83 -0.08 0.00 2.00 -0.42 -2.83 117.12 112.56 1xwf n MET 253 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 57.70 57.72 1xwf n MET 253 Cb 0.86 -1.50 0.09 0.00 0.00 0.00 0.00 33.22 32.67 1xwf n MET 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1xwf n GLU 254 N -0.94 1.90 0.00 0.03 -0.58 0.56 -4.99 120.64 116.62 1xwf n GLU 254 Ca 0.18 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.34 1xwf n GLU 254 Cb 0.22 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1xwf n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xwf n GLY 255 N 0.35 0.92 3.79 0.62 0.00 -1.13 -5.07 105.19 104.67 1xwf n GLY 255 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1xwf n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwf s TYR 256 N -2.24 2.78 -0.19 1.61 2.02 -1.19 -4.99 117.35 115.15 1xwf s TYR 256 Ca 0.00 1.27 -0.07 0.00 -0.37 0.00 0.00 57.07 57.90 1xwf s TYR 256 Cb 0.00 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1xwf s TYR 256 CO 0.00 -1.76 0.05 -2.00 -1.57 0.00 0.00 175.55 170.26 1xwf s GLU 257 N -5.07 3.86 -0.16 -0.62 2.12 -1.24 -4.26 118.70 113.34 1xwf s GLU 257 Ca 0.61 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.48 1xwf s GLU 257 Cb -0.15 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1xwf s GLU 257 CO 0.55 0.17 0.03 0.08 -0.54 0.00 0.00 175.26 175.55 1xwf s VAL 258 N 0.63 4.51 0.35 3.70 1.01 -1.26 0.10 120.40 129.45 1xwf s VAL 258 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1xwf s VAL 258 Cb -0.13 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1xwf s VAL 258 CO 0.02 0.50 0.67 1.07 0.00 0.00 0.00 175.10 177.36 1xwf n THR 259 N 3.26 0.00 -2.85 3.92 5.66 -0.32 -4.94 114.28 119.00 1xwf n THR 259 Ca -0.17 -1.02 -0.30 0.00 -3.05 0.00 0.00 64.05 59.51 1xwf n THR 259 Cb 0.53 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 70.19 1xwf n THR 259 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xwf s THR 260 N -2.29 4.79 0.25 1.09 -4.23 -1.26 -3.91 115.64 110.09 1xwf s THR 260 Ca 0.16 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1xwf s THR 260 Cb -0.04 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 70.31 1xwf s THR 260 CO 0.12 -0.54 1.89 -0.03 -0.54 0.00 0.00 174.62 175.53 1xwf h MET 261 N 1.21 1.16 -0.10 3.99 4.05 -1.94 0.11 114.93 123.40 1xwf h MET 261 Ca -0.47 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 58.90 1xwf h MET 261 Cb 1.19 -0.26 -0.05 0.00 -0.80 0.00 0.00 31.60 31.68 1xwf h MET 261 CO 0.64 0.77 -0.41 -0.44 0.23 0.00 0.00 176.91 177.70 1xwf h ASP 262 N 1.20 -1.30 -0.59 1.39 5.19 -1.93 1.33 116.42 121.70 1xwf h ASP 262 Ca 0.39 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 1xwf h ASP 262 Cb 0.02 0.51 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 1xwf h ASP 262 CO -0.13 -0.36 0.34 -0.33 -3.12 0.00 0.00 179.24 175.63 1xwf h GLU 263 N -0.44 0.81 -0.63 3.56 4.39 -1.91 -3.22 114.58 117.14 1xwf h GLU 263 Ca 0.02 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1xwf h GLU 263 Cb 0.51 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1xwf h GLU 263 CO -0.33 0.61 0.32 0.00 -1.16 0.00 0.00 179.01 178.45 1xwf h ALA 264 N 1.16 0.81 0.00 3.43 0.00 0.05 -3.08 119.26 121.63 1xwf h ALA 264 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xwf h ALA 264 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xwf h ALA 264 CO -0.04 0.36 0.36 0.00 0.00 0.00 0.00 179.25 179.93 1xwf h LYS 266 N 0.00 0.43 0.20 0.00 1.57 -1.70 -3.22 116.57 113.84 1xwf h LYS 266 Ca 0.00 -0.73 -0.29 0.00 -1.87 0.00 0.00 60.65 57.76 1xwf h LYS 266 Cb 0.71 0.27 0.02 0.00 0.08 0.00 0.00 32.23 33.32 1xwf h LYS 266 CO 0.00 1.35 -1.31 0.93 -0.57 0.00 0.00 179.45 179.84 1xwf h GLU 267 N 0.12 0.41 -6.45 3.15 5.08 -0.85 -3.41 114.58 112.64 1xwf h GLU 267 Ca -0.20 -0.71 -0.58 0.00 -1.00 0.00 0.00 59.36 56.87 1xwf h GLU 267 Cb 2.08 0.26 0.17 0.00 0.50 0.00 0.00 28.75 31.76 1xwf h GLU 267 CO 0.25 1.34 -0.50 0.41 -1.00 0.00 0.00 179.01 179.51 1xwf n GLY 268 N 1.73 -1.73 0.00 -3.84 0.00 -0.79 -4.78 105.19 95.78 1xwf n GLY 268 Ca -0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 1xwf n GLY 268 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwf n ASN 269 N 0.71 4.73 -4.09 1.61 3.02 0.31 -4.39 115.26 117.16 1xwf n ASN 269 Ca 0.11 -0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.47 1xwf n ASN 269 Cb 0.48 0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 39.90 1xwf n ASN 269 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwf s ILE 270 N -2.01 0.90 -0.17 2.41 1.01 -1.03 -1.57 121.20 120.75 1xwf s ILE 270 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1xwf s ILE 270 Cb 0.00 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.71 1xwf s ILE 270 CO 0.01 0.04 -0.01 -0.36 0.00 0.00 0.00 174.94 174.63 1xwf s PHE 271 N -0.66 1.29 -0.16 3.97 0.40 0.57 -0.58 117.98 122.81 1xwf s PHE 271 Ca 0.01 -0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 55.45 1xwf s PHE 271 Cb -0.06 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.33 1xwf s PHE 271 CO 0.00 -0.58 -0.10 0.08 0.70 0.00 0.00 175.22 175.33 1xwf s VAL 272 N 1.77 3.14 -0.26 -0.44 1.01 -0.28 -1.75 120.40 123.59 1xwf s VAL 272 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1xwf s VAL 272 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1xwf s VAL 272 CO -0.07 0.49 0.11 0.42 0.00 0.00 0.00 175.10 176.05 1xwf s THR 273 N 0.72 4.62 -0.35 3.92 -4.23 -1.18 -1.37 115.64 117.76 1xwf s THR 273 Ca -0.05 -0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1xwf s THR 273 Cb -0.15 -3.19 0.54 0.00 1.34 0.00 0.00 72.50 71.04 1xwf s THR 273 CO 0.02 0.29 1.58 0.35 -0.54 0.00 0.00 174.62 176.32 1xwf n THR 274 N 4.97 2.77 -4.29 3.99 -2.24 -0.36 -1.47 114.28 117.64 1xwf n THR 274 Ca -0.15 -2.68 -0.27 0.00 -2.27 0.00 0.00 64.05 58.67 1xwf n THR 274 Cb 0.51 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.23 1xwf n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xwf s THR 275 N -3.44 1.86 -0.21 4.28 2.01 -1.25 -4.58 115.64 114.31 1xwf s THR 275 Ca 0.49 -1.77 0.15 0.00 0.31 0.00 0.00 61.69 60.88 1xwf s THR 275 Cb 0.43 -2.62 0.61 0.00 0.01 0.00 0.00 72.50 70.92 1xwf s THR 275 CO 0.02 0.00 1.52 0.61 -0.69 0.00 0.00 174.62 176.08 1xwf n GLY 276 N -1.32 3.84 3.95 4.40 0.00 -1.26 -3.79 105.19 111.01 1xwf n GLY 276 Ca -0.06 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 1xwf n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s VAL 278 N -2.22 2.66 -1.20 0.00 -7.23 -1.26 -4.26 120.40 106.88 1xwf s VAL 278 Ca 0.44 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1xwf s VAL 278 Cb -0.08 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1xwf s VAL 278 CO 0.30 -0.18 0.85 0.47 -0.31 0.00 0.00 175.10 176.23 1xwf n ASP 279 N -1.01 -2.99 -0.04 4.85 8.00 -1.20 -4.92 116.55 119.25 1xwf n ASP 279 Ca -0.04 -0.75 -0.21 0.00 0.71 0.00 0.00 54.79 54.50 1xwf n ASP 279 Cb 0.62 -4.57 -0.13 0.00 -0.02 0.00 0.00 41.12 37.02 1xwf n ASP 279 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xwf h ILE 280 N -1.72 1.02 -3.70 0.53 1.08 -1.59 -3.44 117.51 109.69 1xwf h ILE 280 Ca -0.61 -2.32 -0.65 0.00 -0.39 0.00 0.00 64.86 60.89 1xwf h ILE 280 Cb 1.34 2.60 -0.37 0.00 -3.07 0.00 0.00 36.82 37.32 1xwf h ILE 280 CO 0.51 0.59 -0.80 -0.63 -0.69 0.00 0.00 178.15 177.13 1xwf s ILE 281 N -2.42 1.94 0.53 -0.67 1.01 -1.09 -4.97 121.20 115.53 1xwf s ILE 281 Ca -0.23 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.05 1xwf s ILE 281 Cb 0.04 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xwf s ILE 281 CO 0.70 0.02 0.26 -0.76 0.00 0.00 0.00 174.94 175.16 1xwf s LEU 282 N 1.22 2.57 0.26 2.97 2.01 -1.26 -1.52 118.68 124.94 1xwf s LEU 282 Ca -0.06 -1.38 -0.02 0.00 0.01 0.00 0.00 54.13 52.68 1xwf s LEU 282 Cb -0.19 -1.04 0.57 0.00 0.01 0.00 0.00 46.19 45.54 1xwf s LEU 282 CO -0.06 -1.00 1.69 1.23 1.01 0.00 0.00 176.35 179.22 1xwf h GLY 283 N 0.98 1.23 1.96 -3.19 0.00 -1.97 0.23 103.07 102.30 1xwf h GLY 283 Ca -0.39 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xwf h GLY 283 CO 0.63 -0.22 0.02 0.07 0.00 0.00 0.00 176.54 177.04 1xwf h ARG 284 N 0.33 0.00 0.02 4.80 0.11 -1.98 -1.19 114.38 116.47 1xwf h ARG 284 Ca 0.47 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.23 1xwf h ARG 284 Cb 0.84 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.88 1xwf h ARG 284 CO -0.51 0.00 -1.77 0.72 0.10 0.00 0.00 179.97 178.51 1xwf n HIS 285 N -2.38 0.76 -0.27 4.08 8.25 0.73 -4.22 115.22 122.17 1xwf n HIS 285 Ca -0.02 0.28 0.05 0.00 -0.26 0.00 0.00 57.72 57.77 1xwf n HIS 285 Cb 0.06 -1.08 0.18 0.00 1.12 0.00 0.00 29.99 30.27 1xwf n HIS 285 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1xwf h PHE 286 N -0.75 0.64 0.00 4.41 0.04 -0.63 0.14 116.94 120.79 1xwf h PHE 286 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1xwf h PHE 286 Cb 1.54 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.52 1xwf h PHE 286 CO 0.05 0.16 0.00 0.39 -0.60 0.00 0.00 178.31 178.31 1xwf n GLU 287 N -4.91 0.60 -0.03 1.51 1.02 -0.52 -2.54 120.64 115.77 1xwf n GLU 287 Ca 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1xwf n GLU 287 Cb 0.37 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1xwf n GLU 287 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xwf n GLN 288 N -0.83 2.73 -1.51 3.49 1.13 -0.03 -5.05 117.38 117.32 1xwf n GLN 288 Ca 0.10 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.72 1xwf n GLN 288 Cb 0.04 -1.16 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 1xwf n GLN 288 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1xwf n MET 289 N -2.28 0.82 -1.38 -1.09 2.81 -0.81 -4.63 117.12 110.55 1xwf n MET 289 Ca -0.11 0.29 -0.33 0.00 -1.81 0.00 0.00 57.70 55.75 1xwf n MET 289 Cb 0.70 -1.58 0.09 0.00 -0.71 0.00 0.00 33.22 31.72 1xwf n MET 289 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1xwf s LYS 290 N -1.50 2.21 0.26 0.03 1.02 -1.26 -4.92 119.74 115.58 1xwf s LYS 290 Ca 0.62 1.47 -0.31 0.00 0.02 0.00 0.00 55.97 57.77 1xwf s LYS 290 Cb -0.70 -1.87 -0.13 0.00 -0.52 0.00 0.00 37.83 34.61 1xwf s LYS 290 CO 0.58 -1.72 1.42 -3.47 -0.92 0.00 0.00 175.35 171.25 1xwf n ASP 291 N -3.04 2.96 -1.92 2.83 2.03 -1.26 -2.27 116.55 115.87 1xwf n ASP 291 Ca 0.11 1.15 -0.15 0.00 0.52 0.00 0.00 54.79 56.42 1xwf n ASP 291 Cb 0.52 -1.47 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 1xwf n ASP 291 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xwf n ASP 292 N 1.95 -4.62 -4.76 1.67 8.00 -0.22 -4.85 116.55 113.72 1xwf n ASP 292 Ca 0.10 -0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1xwf n ASP 292 Cb 0.33 -3.64 0.01 0.00 -0.02 0.00 0.00 41.12 37.80 1xwf n ASP 292 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwf s ALA 293 N -2.86 3.02 -0.30 2.24 0.00 -0.96 -4.66 121.76 118.24 1xwf s ALA 293 Ca 0.10 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 1xwf s ALA 293 Cb -0.04 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1xwf s ALA 293 CO 0.13 -0.89 0.11 0.42 0.00 0.00 0.00 175.76 175.53 1xwf s ILE 294 N -1.39 4.25 -0.11 0.00 1.01 -0.61 -1.36 121.20 123.00 1xwf s ILE 294 Ca 0.63 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1xwf s ILE 294 Cb -0.35 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1xwf s ILE 294 CO 0.42 0.07 -0.05 -0.69 0.00 0.00 0.00 174.94 174.69 1xwf s VAL 295 N 1.55 3.80 0.10 2.92 1.01 0.19 -0.31 120.40 129.66 1xwf s VAL 295 Ca 0.03 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1xwf s VAL 295 Cb -0.17 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1xwf s VAL 295 CO 0.04 0.56 0.64 0.00 0.00 0.00 0.00 175.10 176.33 1xwf s ASN 297 N -2.35 1.48 0.00 0.00 2.47 -1.26 -3.12 114.94 112.15 1xwf s ASN 297 Ca -0.02 -0.24 0.04 0.00 0.42 0.00 0.00 52.86 53.07 1xwf s ASN 297 Cb -0.01 -0.50 0.09 0.00 -1.45 0.00 0.00 41.25 39.38 1xwf s ASN 297 CO -0.07 0.06 0.95 0.00 -3.72 0.00 0.00 177.10 174.32 1xwf n ILE 298 N 3.47 0.67 0.00 -5.21 3.06 -0.90 -1.52 119.36 118.93 1xwf n ILE 298 Ca -0.20 -0.84 0.00 0.00 -2.50 0.00 0.00 62.75 59.21 1xwf n ILE 298 Cb 0.53 0.69 0.00 0.00 0.54 0.00 0.00 39.64 41.40 1xwf n ILE 298 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xwf n GLY 299 N 0.01 -2.30 0.00 4.50 0.00 -0.54 -4.90 105.19 101.95 1xwf n GLY 299 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xwf n GLY 299 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xwf n HIS 300 N 0.00 0.00 -3.79 1.61 -0.00 -1.25 -4.94 115.22 106.85 1xwf n HIS 300 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1xwf n HIS 300 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1xwf n HIS 300 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1xwf s PHE 301 N -0.28 -0.01 -1.03 1.57 0.08 -1.26 -4.88 117.98 112.18 1xwf s PHE 301 Ca 0.00 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1xwf s PHE 301 Cb 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 1xwf s PHE 301 CO 0.00 -0.53 0.22 -0.40 -0.10 0.00 0.00 175.22 174.40 1xwf n ASP 302 N 0.27 0.41 -0.48 1.36 3.85 -1.26 -3.33 116.55 117.36 1xwf n ASP 302 Ca -0.17 -0.84 0.13 0.00 -0.71 0.00 0.00 54.79 53.20 1xwf n ASP 302 Cb 0.61 -0.21 0.51 0.00 -1.35 0.00 0.00 41.12 40.68 1xwf n ASP 302 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1xwf n VAL 303 N 0.27 0.04 0.03 2.12 0.24 -1.26 -4.14 118.33 115.61 1xwf n VAL 303 Ca 0.00 -0.26 0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1xwf n VAL 303 Cb 0.10 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.82 1xwf n VAL 303 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xwf n GLU 304 N 0.18 0.64 -4.81 7.34 1.02 -1.21 -3.21 120.64 120.58 1xwf n GLU 304 Ca 0.19 -0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.94 1xwf n GLU 304 Cb 0.35 -1.64 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1xwf n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xwf s ILE 305 N -3.37 3.12 -1.31 -3.67 1.01 -1.26 -1.60 121.20 114.13 1xwf s ILE 305 Ca -0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1xwf s ILE 305 Cb 0.12 -2.27 0.09 0.00 0.01 0.00 0.00 42.46 40.41 1xwf s ILE 305 CO 0.86 0.56 1.78 -0.67 0.00 0.00 0.00 174.94 177.47 1xwf n ASP 306 N 2.84 4.82 0.04 3.58 -0.08 -0.57 -4.69 116.55 122.48 1xwf n ASP 306 Ca -0.18 -2.93 -0.12 0.00 -1.51 0.00 0.00 54.79 50.06 1xwf n ASP 306 Cb 0.52 -1.69 -0.07 0.00 2.34 0.00 0.00 41.12 42.22 1xwf n ASP 306 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1xwf h VAL 307 N 5.06 0.99 -0.75 5.18 2.07 -1.88 -2.90 116.25 124.03 1xwf h VAL 307 Ca 0.45 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.09 1xwf h VAL 307 Cb 0.82 0.99 -0.13 0.00 -1.52 0.00 0.00 31.29 31.45 1xwf h VAL 307 CO 1.50 0.00 -0.34 0.11 0.02 0.00 0.00 177.57 178.86 1xwf h LYS 308 N -0.00 -0.09 -0.74 1.57 6.56 -1.96 0.16 116.57 122.07 1xwf h LYS 308 Ca 0.00 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.76 1xwf h LYS 308 Cb 0.01 0.02 -0.12 0.00 -0.57 0.00 0.00 32.23 31.57 1xwf h LYS 308 CO -0.01 -0.06 0.13 2.35 -2.06 0.00 0.00 179.45 179.80 1xwf h TRP 309 N -0.09 0.18 0.30 -1.35 7.01 -1.90 0.21 115.95 120.30 1xwf h TRP 309 Ca 0.29 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 1xwf h TRP 309 Cb 0.57 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1xwf h TRP 309 CO -0.72 -0.14 -0.26 -0.07 -2.79 0.00 0.00 178.44 174.46 1xwf h LEU 310 N 0.21 -0.70 -1.32 0.65 3.38 -0.71 0.85 115.31 117.67 1xwf h LEU 310 Ca 0.41 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1xwf h LEU 310 Cb 0.72 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xwf h LEU 310 CO -0.56 -0.36 0.36 0.78 0.09 0.00 0.00 178.44 178.75 1xwf h ASN 311 N -0.55 0.00 0.00 -0.43 2.35 -0.56 0.85 115.58 117.25 1xwf h ASN 311 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1xwf h ASN 311 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1xwf h ASN 311 CO -0.01 0.00 -0.78 -0.62 -1.65 0.00 0.00 177.43 174.36 1xwf n GLU 312 N -2.45 0.49 -0.24 0.81 1.02 -0.02 -4.57 120.64 115.70 1xwf n GLU 312 Ca -0.01 0.36 0.03 0.00 -0.02 0.00 0.00 57.16 57.52 1xwf n GLU 312 Cb 0.39 -1.55 0.14 0.00 -0.02 0.00 0.00 31.44 30.39 1xwf n GLU 312 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwf n ASN 313 N -4.53 2.14 -4.85 1.62 5.03 0.29 -4.87 115.26 110.09 1xwf n ASN 313 Ca -0.11 -2.18 -0.37 0.00 0.87 0.00 0.00 54.58 52.79 1xwf n ASN 313 Cb 0.41 -0.39 -0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1xwf n ASN 313 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwf s ALA 314 N -1.64 3.80 0.00 5.41 0.00 0.27 -4.53 121.76 125.06 1xwf s ALA 314 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1xwf s ALA 314 Cb 0.13 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1xwf s ALA 314 CO 0.09 0.52 0.70 0.28 0.00 0.00 0.00 175.76 177.34 1xwf n VAL 315 N 2.13 0.00 -4.38 0.00 0.31 -0.04 -4.86 118.33 111.50 1xwf n VAL 315 Ca -0.17 1.18 -0.25 0.00 -0.01 0.00 0.00 64.34 65.08 1xwf n VAL 315 Cb 0.54 -2.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 1xwf n VAL 315 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xwf s GLU 316 N -2.26 1.22 -0.26 5.55 -1.05 -1.25 -4.98 118.70 115.67 1xwf s GLU 316 Ca 0.00 -1.15 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 1xwf s GLU 316 Cb 0.00 -1.49 0.07 0.00 -0.44 0.00 0.00 34.13 32.26 1xwf s GLU 316 CO 0.00 0.36 -0.06 0.21 0.95 0.00 0.00 175.26 176.72 1xwf s LYS 317 N -1.78 1.85 -0.14 -4.83 2.20 -1.26 -0.81 119.74 114.96 1xwf s LYS 317 Ca 0.08 -1.29 -0.07 0.00 -0.36 0.00 0.00 55.97 54.33 1xwf s LYS 317 Cb -0.10 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1xwf s LYS 317 CO 0.04 -0.65 0.09 0.14 -0.36 0.00 0.00 175.35 174.61 1xwf s VAL 318 N 1.20 5.06 -0.75 4.02 -7.23 -1.08 -4.94 120.40 116.67 1xwf s VAL 318 Ca -0.04 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.02 1xwf s VAL 318 Cb -0.19 -3.23 0.16 0.00 0.56 0.00 0.00 36.38 33.68 1xwf s VAL 318 CO -0.07 0.55 0.78 0.21 -0.31 0.00 0.00 175.10 176.26 1xwf s ASN 319 N -0.42 6.53 0.29 4.85 3.84 -1.26 -0.07 114.94 128.69 1xwf s ASN 319 Ca 0.10 -2.17 0.03 0.00 0.21 0.00 0.00 52.86 51.03 1xwf s ASN 319 Cb -0.12 -2.26 0.63 0.00 -0.55 0.00 0.00 41.25 38.95 1xwf s ASN 319 CO 0.02 -0.82 1.80 0.40 -2.79 0.00 0.00 177.10 175.71 1xwf h ILE 320 N 5.39 0.81 -1.97 -5.21 5.03 -1.75 -3.47 117.51 116.33 1xwf h ILE 320 Ca -0.03 -0.29 0.26 0.00 -0.12 0.00 0.00 64.86 64.67 1xwf h ILE 320 Cb 1.06 -0.12 -0.05 0.00 -3.03 0.00 0.00 36.82 34.68 1xwf h ILE 320 CO 0.94 0.16 0.69 2.29 -0.68 0.00 0.00 178.15 181.54 1xwf n LYS 321 N -4.71 0.17 -1.68 2.37 2.85 -0.94 -5.04 118.16 111.18 1xwf n LYS 321 Ca 0.21 -0.65 -0.48 0.00 -1.05 0.00 0.00 58.31 56.34 1xwf n LYS 321 Cb 0.46 1.05 -0.04 0.00 -0.65 0.00 0.00 35.03 35.84 1xwf n LYS 321 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1xwf n PRO 322 N -0.71 2.27 -1.74 -1.58 -0.02 -1.26 -1.47 135.00 130.49 1xwf n PRO 322 Ca 0.03 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.21 1xwf n PRO 322 Cb 0.45 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1xwf n PRO 322 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xwf n GLN 323 N 6.70 -0.97 -3.46 -0.52 3.00 -1.26 -4.96 117.38 115.91 1xwf n GLN 323 Ca 0.22 0.83 -0.22 0.00 -0.01 0.00 0.00 57.00 57.82 1xwf n GLN 323 Cb 0.31 -4.96 -0.12 0.00 0.00 0.00 0.00 30.24 25.48 1xwf n GLN 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xwf s VAL 324 N -2.56 -0.24 0.23 5.09 1.01 -0.54 -0.95 120.40 122.44 1xwf s VAL 324 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1xwf s VAL 324 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1xwf s VAL 324 CO 0.00 -0.61 0.04 -1.81 0.00 0.00 0.00 175.10 172.72 1xwf s ASP 325 N 2.11 4.83 -0.33 3.32 1.11 -0.88 -2.07 116.67 124.76 1xwf s ASP 325 Ca 0.10 -0.47 -0.01 0.00 0.18 0.00 0.00 52.55 52.36 1xwf s ASP 325 Cb -0.15 -1.02 0.11 0.00 1.07 0.00 0.00 42.92 42.92 1xwf s ASP 325 CO -0.30 0.03 0.13 -0.60 1.18 0.00 0.00 175.17 175.60 1xwf s ARG 326 N -3.41 0.74 0.48 8.23 3.52 0.89 -0.71 118.95 128.69 1xwf s ARG 326 Ca 0.30 -1.17 -0.20 0.00 -0.13 0.00 0.00 55.73 54.53 1xwf s ARG 326 Cb -0.08 -1.93 -0.09 0.00 -1.56 0.00 0.00 34.95 31.29 1xwf s ARG 326 CO 0.20 -1.03 1.01 0.71 -0.81 0.00 0.00 175.30 175.39 1xwf s TYR 327 N 1.45 3.09 -0.20 5.12 1.51 -0.52 -2.63 117.35 125.17 1xwf s TYR 327 Ca 0.11 1.58 -0.04 0.00 -1.01 0.00 0.00 57.07 57.72 1xwf s TYR 327 Cb -0.18 -3.00 -0.01 0.00 -0.11 0.00 0.00 41.96 38.65 1xwf s TYR 327 CO -0.21 -0.64 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.38 1xwf s LEU 328 N -3.45 3.00 0.50 -1.29 2.96 0.01 -0.95 118.68 119.45 1xwf s LEU 328 Ca 0.66 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1xwf s LEU 328 Cb -0.14 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1xwf s LEU 328 CO 0.19 0.04 0.83 -0.76 -1.32 0.00 0.00 176.35 175.32 1xwf s LEU 329 N 1.15 3.58 0.00 -0.68 1.43 -0.36 -0.86 118.68 122.94 1xwf s LEU 329 Ca 0.02 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1xwf s LEU 329 Cb -0.15 -4.00 0.28 0.00 0.03 0.00 0.00 46.19 42.35 1xwf s LEU 329 CO -0.00 -0.61 0.81 0.29 0.23 0.00 0.00 176.35 177.07 1xwf n LYS 330 N -2.23 0.58 -0.02 1.70 5.02 -1.26 -2.16 118.16 119.79 1xwf n LYS 330 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1xwf n LYS 330 Cb 0.55 -1.13 0.02 0.00 -0.02 0.00 0.00 35.03 34.45 1xwf n LYS 330 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xwf n ASN 331 N -0.63 1.85 0.00 4.39 6.94 -1.26 -5.01 115.26 121.55 1xwf n ASN 331 Ca 0.04 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1xwf n ASN 331 Cb 0.02 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1xwf n ASN 331 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xwf n GLY 332 N -0.25 3.32 3.83 4.83 0.00 -0.92 -5.06 105.19 110.94 1xwf n GLY 332 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1xwf n GLY 332 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 333 N -2.70 3.36 0.22 1.61 3.76 -1.26 -4.82 115.29 115.45 1xwf s HIS 333 Ca 0.00 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.52 1xwf s HIS 333 Cb 0.00 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 1xwf s HIS 333 CO 0.00 -0.18 0.19 1.03 -0.85 0.00 0.00 174.74 174.94 1xwf s ARG 334 N -3.44 2.98 -0.21 1.40 3.00 -1.26 -1.22 118.95 120.19 1xwf s ARG 334 Ca 0.61 -0.96 -0.04 0.00 0.00 0.00 0.00 55.73 55.34 1xwf s ARG 334 Cb -0.09 -2.63 0.07 0.00 0.00 0.00 0.00 34.95 32.30 1xwf s ARG 334 CO 0.19 0.43 0.08 0.42 0.00 0.00 0.00 175.30 176.42 1xwf s ILE 335 N -1.99 0.19 -0.37 1.52 -1.09 -0.13 -1.05 121.20 118.28 1xwf s ILE 335 Ca 0.32 -0.52 -0.28 0.00 -2.23 0.00 0.00 60.65 57.95 1xwf s ILE 335 Cb -0.09 -0.90 0.02 0.00 -1.58 0.00 0.00 42.46 39.92 1xwf s ILE 335 CO 0.25 -0.38 1.03 -0.63 -1.23 0.00 0.00 174.94 173.97 1xwf s ILE 336 N 2.00 4.48 -0.22 2.92 1.09 -0.46 -1.43 121.20 129.57 1xwf s ILE 336 Ca 0.03 1.40 -0.06 0.00 -1.10 0.00 0.00 60.65 60.92 1xwf s ILE 336 Cb -0.16 -4.42 -0.03 0.00 -1.06 0.00 0.00 42.46 36.79 1xwf s ILE 336 CO -0.16 -0.62 0.02 -0.22 -0.10 0.00 0.00 174.94 173.87 1xwf s LEU 337 N 3.75 3.32 0.28 2.97 1.98 0.12 -0.64 118.68 130.47 1xwf s LEU 337 Ca 0.43 -0.20 0.01 0.00 -2.89 0.00 0.00 54.13 51.48 1xwf s LEU 337 Cb -0.11 -1.86 -0.04 0.00 0.66 0.00 0.00 46.19 44.84 1xwf s LEU 337 CO 0.20 0.03 0.47 -0.76 -1.89 0.00 0.00 176.35 174.40 1xwf s LEU 338 N 1.22 4.13 -0.31 -0.68 1.43 -0.25 -2.08 118.68 122.14 1xwf s LEU 338 Ca 0.04 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1xwf s LEU 338 Cb -0.15 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1xwf s LEU 338 CO 0.02 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.42 1xwf n ALA 339 N -1.38 -0.33 -2.16 4.21 0.00 -0.13 -0.61 120.51 120.12 1xwf n ALA 339 Ca -0.05 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1xwf n ALA 339 Cb 0.56 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 1xwf n ALA 339 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xwf n GLU 340 N -1.63 -1.70 0.00 0.00 4.07 -1.26 -1.19 120.64 118.93 1xwf n GLU 340 Ca -0.03 0.97 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1xwf n GLU 340 Cb 0.23 -5.53 0.00 0.00 -0.06 0.00 0.00 31.44 26.08 1xwf n GLU 340 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xwf n GLY 341 N -0.79 2.56 2.66 8.31 0.00 0.22 -4.98 105.19 113.17 1xwf n GLY 341 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1xwf n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf n ARG 342 N -2.00 -1.46 -1.59 1.61 1.74 -0.33 -4.02 116.66 110.61 1xwf n ARG 342 Ca 0.00 -1.39 -0.44 0.00 -0.77 0.00 0.00 57.85 55.25 1xwf n ARG 342 Cb 0.00 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 1xwf n ARG 342 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xwf n LEU 343 N 0.00 3.24 -0.07 0.55 4.32 -1.25 -4.20 117.00 119.59 1xwf n LEU 343 Ca 0.11 0.37 -0.03 0.00 -0.02 0.00 0.00 56.01 56.44 1xwf n LEU 343 Cb 0.41 -1.50 0.20 0.00 -1.62 0.00 0.00 43.42 40.91 1xwf n LEU 343 CO 0.30 -0.54 0.89 1.62 -1.22 0.00 0.00 177.39 178.44 1xwf h VAL 344 N 6.84 1.23 -0.06 4.08 3.04 -1.62 0.70 116.25 130.47 1xwf h VAL 344 Ca -0.41 -0.95 -0.13 0.00 -1.01 0.00 0.00 66.70 64.20 1xwf h VAL 344 Cb 1.25 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1xwf h VAL 344 CO 0.96 0.33 -0.55 -0.55 -1.01 0.00 0.00 177.57 176.76 1xwf h ASN 345 N 0.66 0.18 0.39 3.17 -1.07 -1.85 0.55 115.58 117.62 1xwf h ASN 345 Ca 0.13 -0.10 -0.32 0.00 0.07 0.00 0.00 56.30 56.09 1xwf h ASN 345 Cb 0.43 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1xwf h ASN 345 CO 0.02 0.69 -1.57 -0.07 0.07 0.00 0.00 177.43 176.57 1xwf h LEU 346 N 0.13 0.47 0.00 6.14 3.38 -1.75 -1.32 115.31 122.35 1xwf h LEU 346 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1xwf h LEU 346 Cb 1.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xwf h LEU 346 CO 0.08 1.53 -0.34 0.61 0.09 0.00 0.00 178.44 180.41 1xwf n GLY 347 N 1.71 -1.41 0.00 0.83 0.00 0.24 -4.26 105.19 102.29 1xwf n GLY 347 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xwf n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf n ALA 349 N -0.17 0.10 -0.85 0.00 0.00 -0.97 -4.56 120.51 114.06 1xwf n ALA 349 Ca 0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1xwf n ALA 349 Cb 0.09 0.23 0.14 0.00 0.00 0.00 0.00 19.45 19.91 1xwf n ALA 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xwf n MET 350 N -0.13 2.05 0.00 0.00 0.00 -1.25 -4.59 117.12 113.20 1xwf n MET 350 Ca -0.00 -2.47 0.00 0.00 0.00 0.00 0.00 57.70 55.23 1xwf n MET 350 Cb 0.10 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.35 1xwf n MET 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xwf n GLY 351 N -0.81 0.52 3.89 3.03 0.00 -0.54 -4.78 105.19 106.51 1xwf n GLY 351 Ca 0.49 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1xwf n GLY 351 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 352 N 0.00 3.54 1.01 1.61 3.76 -1.26 -4.76 115.29 119.19 1xwf s HIS 352 Ca 0.00 0.99 -0.12 0.00 -0.15 0.00 0.00 55.06 55.78 1xwf s HIS 352 Cb 0.00 -2.43 0.20 0.00 1.11 0.00 0.00 32.58 31.46 1xwf s HIS 352 CO 0.00 -0.28 1.08 -2.14 -0.85 0.00 0.00 174.74 172.55 1xwf s PRO 353 N -4.46 0.26 0.06 8.40 0.02 -1.26 -4.86 135.00 133.16 1xwf s PRO 353 Ca 0.50 1.05 -0.21 0.00 0.02 0.00 0.00 61.00 62.36 1xwf s PRO 353 Cb -0.10 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.62 1xwf s PRO 353 CO 0.41 -2.99 1.52 0.77 -0.33 0.00 0.00 177.00 176.38 1xwf h SER 354 N -2.10 0.22 -0.87 2.53 0.02 -1.93 -2.77 113.55 108.64 1xwf h SER 354 Ca -0.53 -0.27 0.09 0.00 -0.84 0.00 0.00 61.79 60.24 1xwf h SER 354 Cb 1.30 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1xwf h SER 354 CO 0.49 0.43 0.57 0.15 -1.14 0.00 0.00 176.83 177.33 1xwf h PHE 355 N -0.01 0.94 0.32 3.45 3.57 -1.86 0.45 116.94 123.80 1xwf h PHE 355 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1xwf h PHE 355 Cb 0.31 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xwf h PHE 355 CO 0.02 0.45 -0.15 -0.24 -2.23 0.00 0.00 178.31 176.15 1xwf h VAL 356 N 0.89 0.69 -1.00 1.41 3.04 -1.83 -3.08 116.25 116.36 1xwf h VAL 356 Ca 0.40 -0.51 0.17 0.00 -1.01 0.00 0.00 66.70 65.76 1xwf h VAL 356 Cb 0.37 0.94 -0.10 0.00 -2.01 0.00 0.00 31.29 30.49 1xwf h VAL 356 CO -0.16 0.10 0.61 0.24 -1.01 0.00 0.00 177.57 177.35 1xwf h MET 357 N -0.72 0.79 -0.06 4.17 2.86 -1.12 0.12 114.93 120.97 1xwf h MET 357 Ca -0.04 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1xwf h MET 357 Cb 0.49 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1xwf h MET 357 CO 0.07 0.52 0.20 1.03 1.06 0.00 0.00 176.91 179.79 1xwf h SER 358 N 0.81 0.00 0.00 1.22 0.87 -0.84 0.33 113.55 115.94 1xwf h SER 358 Ca 0.56 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.08 1xwf h SER 358 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1xwf h SER 358 CO -0.36 0.00 -0.29 0.78 -0.53 0.00 0.00 176.83 176.43 1xwf h ASN 359 N 0.00 0.00 0.79 6.23 4.21 -0.80 -2.68 115.58 123.33 1xwf h ASN 359 Ca 0.03 -0.61 -0.03 0.00 1.21 0.00 0.00 56.30 56.89 1xwf h ASN 359 Cb 0.43 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1xwf h ASN 359 CO -0.00 0.97 -0.16 0.77 -1.29 0.00 0.00 177.43 177.72 1xwf h SER 360 N -1.00 0.00 1.17 5.81 4.64 -1.33 -3.02 113.55 119.81 1xwf h SER 360 Ca -0.07 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 1xwf h SER 360 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1xwf h SER 360 CO -0.04 0.16 -0.87 -0.26 -0.87 0.00 0.00 176.83 174.95 1xwf h PHE 361 N 0.00 0.00 -0.00 4.77 0.04 -0.49 -2.96 116.94 118.30 1xwf h PHE 361 Ca -0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1xwf h PHE 361 Cb 0.60 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1xwf h PHE 361 CO 0.00 0.30 -0.79 1.15 -0.60 0.00 0.00 178.31 178.38 1xwf h THR 362 N 0.00 1.52 -0.55 -1.55 2.02 -1.36 -1.68 112.91 111.31 1xwf h THR 362 Ca -0.05 -2.57 -0.01 0.00 0.77 0.00 0.00 66.41 64.54 1xwf h THR 362 Cb 1.28 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 70.06 1xwf h THR 362 CO 0.03 0.74 0.29 0.78 0.37 0.00 0.00 175.52 177.73 1xwf h ASN 363 N 0.05 0.70 -0.49 4.18 2.35 -1.54 -1.06 115.58 119.76 1xwf h ASN 363 Ca -0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1xwf h ASN 363 Cb 1.38 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1xwf h ASN 363 CO 0.11 0.60 0.32 -0.61 -1.65 0.00 0.00 177.43 176.20 1xwf h GLN 364 N 0.74 0.66 -0.65 0.81 5.75 -1.30 -0.80 115.11 120.32 1xwf h GLN 364 Ca 0.19 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 1xwf h GLN 364 Cb 0.07 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1xwf h GLN 364 CO -0.03 0.45 0.09 0.28 -2.65 0.00 0.00 178.83 176.98 1xwf h VAL 365 N 0.67 1.26 -0.27 2.39 2.07 -1.00 -2.70 116.25 118.67 1xwf h VAL 365 Ca 0.18 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.57 1xwf h VAL 365 Cb -0.05 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1xwf h VAL 365 CO -0.04 0.39 -0.23 0.24 0.02 0.00 0.00 177.57 177.95 1xwf h MET 366 N 1.00 0.50 -0.45 1.57 2.86 -0.79 -2.70 114.93 116.93 1xwf h MET 366 Ca 0.20 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1xwf h MET 366 Cb 0.44 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1xwf h MET 366 CO 0.01 0.70 0.17 0.00 1.06 0.00 0.00 176.91 178.85 1xwf h ALA 367 N 1.31 0.58 0.17 6.32 0.00 -0.90 -2.12 119.26 124.63 1xwf h ALA 367 Ca 0.07 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xwf h ALA 367 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xwf h ALA 367 CO 0.05 0.19 -0.28 1.96 0.00 0.00 0.00 179.25 181.17 1xwf h GLN 368 N 0.58 -0.50 -0.37 0.00 1.08 -1.30 -0.49 115.11 114.11 1xwf h GLN 368 Ca 0.15 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 1xwf h GLN 368 Cb 0.20 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 27.67 1xwf h GLN 368 CO -0.01 -0.33 -0.16 0.82 -0.95 0.00 0.00 178.83 178.19 1xwf h ILE 369 N -0.52 0.50 0.26 2.54 2.04 -1.36 0.94 117.51 121.91 1xwf h ILE 369 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1xwf h ILE 369 Cb 0.52 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1xwf h ILE 369 CO -0.12 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.50 1xwf h GLU 370 N -0.09 -0.42 -1.07 2.37 4.39 -1.14 0.15 114.58 118.77 1xwf h GLU 370 Ca 0.18 0.03 0.30 0.00 0.34 0.00 0.00 59.36 60.21 1xwf h GLU 370 Cb 0.37 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 29.00 1xwf h GLU 370 CO -0.43 -0.28 0.66 -0.07 -1.16 0.00 0.00 179.01 177.73 1xwf h LEU 371 N -0.44 0.47 -1.40 1.33 4.07 -0.90 1.07 115.31 119.51 1xwf h LEU 371 Ca -0.03 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1xwf h LEU 371 Cb 0.37 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1xwf h LEU 371 CO 0.01 -0.00 -0.22 1.87 -1.08 0.00 0.00 178.44 179.02 1xwf n TRP 372 N -4.78 0.00 0.00 1.13 -0.00 0.31 -3.83 117.44 110.27 1xwf n TRP 372 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1xwf n TRP 372 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.28 1xwf n TRP 372 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1xwf n THR 373 N 0.58 0.00 -2.37 5.87 -1.04 0.52 -4.76 114.28 113.09 1xwf n THR 373 Ca 0.11 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 61.69 1xwf n THR 373 Cb 0.49 0.93 0.06 0.00 -1.82 0.00 0.00 70.33 69.99 1xwf n THR 373 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xwf n HIS 374 N -0.84 1.41 -0.31 -1.42 8.25 0.36 -4.92 115.22 117.74 1xwf n HIS 374 Ca 0.00 -1.84 0.12 0.00 -0.26 0.00 0.00 57.72 55.74 1xwf n HIS 374 Cb 0.00 -0.26 0.27 0.00 1.12 0.00 0.00 29.99 31.12 1xwf n HIS 374 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xwf h PRO 375 N 2.03 0.09 -0.68 -0.41 0.13 -1.70 0.71 132.00 132.17 1xwf h PRO 375 Ca 0.03 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.32 1xwf h PRO 375 Cb 1.42 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 1xwf h PRO 375 CO 0.34 0.06 0.47 -0.44 -0.23 0.00 0.00 178.00 178.20 1xwf h ASP 376 N 0.10 0.19 1.24 1.44 5.19 -1.92 0.82 116.42 123.47 1xwf h ASP 376 Ca 0.55 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.92 1xwf h ASP 376 Cb 1.10 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1xwf h ASP 376 CO -0.77 0.09 -0.23 0.11 -3.12 0.00 0.00 179.24 175.32 1xwf h LYS 377 N 0.20 0.00 -3.66 3.56 1.57 0.04 -3.40 116.57 114.88 1xwf h LYS 377 Ca 0.33 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.47 1xwf h LYS 377 Cb 1.02 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.92 1xwf h LYS 377 CO -0.06 0.23 -0.67 0.71 -0.57 0.00 0.00 179.45 179.09 1xwf s TYR 378 N -3.42 3.13 0.91 -1.35 1.51 0.28 -5.10 117.35 113.32 1xwf s TYR 378 Ca 0.02 -3.00 -0.12 0.00 -1.01 0.00 0.00 57.07 52.96 1xwf s TYR 378 Cb 0.09 -2.70 0.14 0.00 -0.11 0.00 0.00 41.96 39.37 1xwf s TYR 378 CO 0.66 -0.80 1.11 -1.25 -1.11 0.00 0.00 175.55 174.15 1xwf s PRO 379 N 0.13 1.14 -0.05 -1.71 0.04 -1.26 -4.69 135.00 128.61 1xwf s PRO 379 Ca 0.15 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1xwf s PRO 379 Cb -0.24 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1xwf s PRO 379 CO -0.03 -2.25 2.01 0.08 0.04 0.00 0.00 177.00 176.85 1xwf s VAL 380 N -3.09 3.07 0.00 -0.36 1.01 -1.26 -4.56 120.40 115.22 1xwf s VAL 380 Ca 0.64 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1xwf s VAL 380 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xwf s VAL 380 CO 0.56 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1xwf n GLY 381 N 4.86 0.49 3.48 4.51 0.00 -1.26 -4.92 105.19 112.34 1xwf n GLY 381 Ca 0.22 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1xwf n GLY 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s VAL 382 N -2.00 5.17 0.33 1.61 0.11 -1.26 -0.84 120.40 123.52 1xwf s VAL 382 Ca 0.00 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.62 1xwf s VAL 382 Cb 0.00 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1xwf s VAL 382 CO 0.00 -0.17 0.40 -1.00 -3.33 0.00 0.00 175.10 171.00 1xwf s HIS 383 N 1.68 3.06 -0.00 1.54 4.02 0.14 -4.75 115.29 120.98 1xwf s HIS 383 Ca 0.05 -0.24 0.01 0.00 1.02 0.00 0.00 55.06 55.90 1xwf s HIS 383 Cb -0.18 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.58 29.44 1xwf s HIS 383 CO 0.10 0.09 0.04 -0.06 1.02 0.00 0.00 174.74 175.92 1xwf s PHE 384 N -2.21 3.18 0.37 1.40 0.40 -1.26 0.27 117.98 120.13 1xwf s PHE 384 Ca 0.43 0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 56.63 1xwf s PHE 384 Cb -0.08 -1.70 -0.09 0.00 0.51 0.00 0.00 43.02 41.66 1xwf s PHE 384 CO 0.29 0.51 1.25 -1.17 0.70 0.00 0.00 175.22 176.80 1xwf s LEU 385 N -1.67 4.31 0.67 -0.37 2.96 -1.26 -4.95 118.68 118.36 1xwf s LEU 385 Ca 0.21 2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 56.49 1xwf s LEU 385 Cb -0.12 -3.83 0.00 0.00 0.50 0.00 0.00 46.19 42.74 1xwf s LEU 385 CO 0.12 -0.64 1.26 -2.16 -1.32 0.00 0.00 176.35 173.62 1xwf s PRO 386 N -2.04 2.46 0.18 0.98 0.04 -1.26 -4.88 135.00 130.47 1xwf s PRO 386 Ca 0.53 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 1xwf s PRO 386 Cb -0.36 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.40 1xwf s PRO 386 CO 0.47 -1.64 1.64 -0.22 0.04 0.00 0.00 177.00 177.28 1xwf h LYS 387 N 0.33 1.08 -0.05 4.56 3.64 -1.99 -2.07 116.57 122.07 1xwf h LYS 387 Ca -0.50 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 58.55 1xwf h LYS 387 Cb 1.32 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1xwf h LYS 387 CO 0.52 1.05 0.17 -0.22 -2.27 0.00 0.00 179.45 178.70 1xwf h LYS 388 N 0.98 0.00 0.00 1.90 3.11 -1.97 0.27 116.57 120.86 1xwf h LYS 388 Ca 0.17 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1xwf h LYS 388 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1xwf h LYS 388 CO 0.03 0.00 -0.92 1.28 -2.81 0.00 0.00 179.45 177.03 1xwf n LEU 389 N -3.23 0.76 0.02 5.20 4.77 -0.79 -2.89 117.00 120.84 1xwf n LEU 389 Ca -0.01 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.11 1xwf n LEU 389 Cb 0.25 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1xwf n LEU 389 CO 0.20 -0.11 0.36 -0.78 -1.33 0.00 0.00 177.39 175.73 1xwf h ASP 390 N 0.00 -0.13 -0.72 -1.43 -0.00 -0.32 -2.48 116.42 111.34 1xwf h ASP 390 Ca 0.00 -0.43 0.21 0.00 -0.00 0.00 0.00 57.03 56.81 1xwf h ASP 390 Cb 0.89 0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 40.22 1xwf h ASP 390 CO 0.00 0.49 0.53 -0.33 -0.00 0.00 0.00 179.24 179.93 1xwf h GLU 391 N -0.88 0.00 -0.51 0.28 5.08 -1.42 0.21 114.58 117.34 1xwf h GLU 391 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1xwf h GLU 391 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1xwf h GLU 391 CO 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 178.08 1xwf h ALA 392 N 1.62 0.68 -0.64 3.43 0.00 -1.37 -1.06 119.26 121.93 1xwf h ALA 392 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xwf h ALA 392 Cb 1.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1xwf h ALA 392 CO -0.00 0.46 0.26 0.28 0.00 0.00 0.00 179.25 180.25 1xwf h VAL 393 N 0.75 1.22 0.31 0.00 2.07 -0.15 -2.83 116.25 117.62 1xwf h VAL 393 Ca 0.15 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1xwf h VAL 393 Cb 0.46 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1xwf h VAL 393 CO 0.02 0.27 -0.15 0.00 0.02 0.00 0.00 177.57 177.73 1xwf h ALA 394 N 1.38 -0.82 -1.33 1.67 0.00 -1.07 -3.19 119.26 115.90 1xwf h ALA 394 Ca 0.22 -0.09 0.44 0.00 0.00 0.00 0.00 54.91 55.48 1xwf h ALA 394 Cb 0.16 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 17.98 1xwf h ALA 394 CO -0.02 -0.79 0.86 1.49 0.00 0.00 0.00 179.25 180.79 1xwf h GLU 395 N -0.55 0.07 0.00 0.00 4.22 -1.24 1.41 114.58 118.49 1xwf h GLU 395 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1xwf h GLU 395 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xwf h GLU 395 CO 0.07 0.05 0.00 0.00 -2.18 0.00 0.00 179.01 176.95 1xwf n ALA 396 N -2.52 1.58 0.34 2.92 0.00 -1.07 -2.73 120.51 119.02 1xwf n ALA 396 Ca 0.38 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.83 1xwf n ALA 396 Cb 1.46 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 1xwf n ALA 396 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xwf n HIS 397 N -1.49 0.00 0.28 0.00 8.25 0.48 -4.26 115.22 118.49 1xwf n HIS 397 Ca 0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.67 1xwf n HIS 397 Cb 0.14 -0.08 0.92 0.00 1.12 0.00 0.00 29.99 32.09 1xwf n HIS 397 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xwf h LEU 398 N 0.00 0.00 0.25 2.41 4.07 -1.33 -3.00 115.31 117.71 1xwf h LEU 398 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1xwf h LEU 398 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1xwf h LEU 398 CO 0.00 0.00 -0.12 1.23 -1.08 0.00 0.00 178.44 178.47 1xwf h GLY 399 N 0.44 -0.36 -0.94 0.83 0.00 -1.77 -0.53 103.07 100.74 1xwf h GLY 399 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 47.33 47.61 1xwf h GLY 399 CO 0.00 -0.13 -0.39 1.70 0.00 0.00 0.00 176.54 177.72 1xwf h LYS 400 N -1.04 -0.02 -0.09 4.80 1.63 -1.81 0.78 116.57 120.82 1xwf h LYS 400 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1xwf h LYS 400 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1xwf h LYS 400 CO 0.06 -0.01 0.00 1.47 -3.45 0.00 0.00 179.45 177.52 1xwf n LEU 401 N -5.46 0.92 -3.32 5.20 -0.00 -1.22 -4.97 117.00 108.15 1xwf n LEU 401 Ca 0.09 -0.38 -0.14 0.00 -0.00 0.00 0.00 56.01 55.58 1xwf n LEU 401 Cb 0.39 -0.06 0.03 0.00 -0.00 0.00 0.00 43.42 43.79 1xwf n LEU 401 CO -0.12 0.19 0.10 -3.20 -0.00 0.00 0.00 177.39 174.36 1xwf n ASN 402 N -0.18 -6.65 -4.34 1.45 5.15 0.27 -5.01 115.26 105.95 1xwf n ASN 402 Ca 0.15 -0.57 -0.33 0.00 -0.60 0.00 0.00 54.58 53.24 1xwf n ASN 402 Cb 0.21 -4.57 -0.15 0.00 -0.53 0.00 0.00 39.78 34.74 1xwf n ASN 402 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xwf s VAL 403 N -3.23 2.75 -0.56 3.44 -7.23 -0.27 -5.03 120.40 110.26 1xwf s VAL 403 Ca 0.26 -0.79 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 1xwf s VAL 403 Cb -0.06 -2.11 0.05 0.00 0.56 0.00 0.00 36.38 34.82 1xwf s VAL 403 CO 0.78 0.55 0.89 -0.54 -0.31 0.00 0.00 175.10 176.47 1xwf s LYS 404 N 0.14 3.26 -0.07 4.82 3.01 -1.26 -4.76 119.74 124.88 1xwf s LYS 404 Ca -0.09 -0.46 -0.30 0.00 -1.01 0.00 0.00 55.97 54.11 1xwf s LYS 404 Cb -0.15 -4.09 -0.02 0.00 -1.01 0.00 0.00 37.83 32.56 1xwf s LYS 404 CO 0.05 -1.50 1.03 -1.17 0.51 0.00 0.00 175.35 174.27 1xwf s LEU 405 N 3.75 4.28 0.33 3.17 2.96 -1.26 -5.01 118.68 126.90 1xwf s LEU 405 Ca 0.26 1.60 -0.28 0.00 -0.22 0.00 0.00 54.13 55.50 1xwf s LEU 405 Cb -0.14 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1xwf s LEU 405 CO 0.16 -0.42 1.13 -0.89 -1.32 0.00 0.00 176.35 175.01 1xwf s THR 406 N 1.79 3.38 -0.21 3.68 2.01 -1.26 -5.03 115.64 119.99 1xwf s THR 406 Ca 0.50 1.28 -0.05 0.00 0.31 0.00 0.00 61.69 63.73 1xwf s THR 406 Cb -0.20 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1xwf s THR 406 CO 0.21 0.22 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.61 1xwf s LYS 407 N -1.84 3.57 1.07 4.92 2.36 -1.26 -5.09 119.74 123.47 1xwf s LYS 407 Ca 0.50 -0.54 -0.17 0.00 -2.55 0.00 0.00 55.97 53.21 1xwf s LYS 407 Cb -0.31 -3.09 0.08 0.00 -1.05 0.00 0.00 37.83 33.46 1xwf s LYS 407 CO 0.39 -0.05 0.08 -0.11 1.55 0.00 0.00 175.35 177.21 1xwf n LEU 408 N 4.44 -1.79 -4.04 5.43 7.94 -1.26 -5.02 117.00 122.69 1xwf n LEU 408 Ca -0.17 0.01 -0.19 0.00 -1.11 0.00 0.00 56.01 54.55 1xwf n LEU 408 Cb 0.52 -1.02 -0.15 0.00 0.53 0.00 0.00 43.42 43.30 1xwf n LEU 408 CO 0.31 -3.28 -0.44 0.42 -1.11 0.00 0.00 177.39 173.29 1xwf s THR 409 N -2.27 0.80 0.03 1.96 -4.23 -1.26 -4.92 115.64 105.74 1xwf s THR 409 Ca 0.56 -0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 1xwf s THR 409 Cb -0.14 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.01 1xwf s THR 409 CO 0.67 0.21 0.29 -0.62 -0.54 0.00 0.00 174.62 174.63 1xwf n GLU 410 N 2.79 -0.08 0.09 3.99 -0.58 -1.26 0.13 120.64 125.72 1xwf n GLU 410 Ca -0.14 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 56.76 1xwf n GLU 410 Cb 0.56 -0.42 -0.05 0.00 -0.57 0.00 0.00 31.44 30.96 1xwf n GLU 410 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xwf h LYS 411 N 0.00 -0.44 0.62 3.49 3.64 -1.98 0.38 116.57 122.28 1xwf h LYS 411 Ca 0.03 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1xwf h LYS 411 Cb 0.07 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1xwf h LYS 411 CO -0.17 -0.29 -0.47 1.96 -2.27 0.00 0.00 179.45 178.20 1xwf h GLN 412 N -0.46 -1.01 -0.79 1.90 4.20 0.72 0.48 115.11 120.15 1xwf h GLN 412 Ca 0.04 0.07 0.15 0.00 0.06 0.00 0.00 58.65 58.97 1xwf h GLN 412 Cb 0.51 0.23 -0.15 0.00 0.30 0.00 0.00 27.48 28.37 1xwf h GLN 412 CO -0.19 -0.68 -0.25 0.00 -0.67 0.00 0.00 178.83 177.04 1xwf h ALA 413 N -1.09 0.37 0.54 3.87 0.00 -0.11 0.42 119.26 123.25 1xwf h ALA 413 Ca -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xwf h ALA 413 Cb 0.87 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1xwf h ALA 413 CO 0.02 -0.49 -0.41 0.37 0.00 0.00 0.00 179.25 178.74 1xwf h GLN 414 N -0.03 -0.90 -0.81 0.00 5.75 0.18 0.61 115.11 119.91 1xwf h GLN 414 Ca 0.35 0.06 0.20 0.00 -0.15 0.00 0.00 58.65 59.11 1xwf h GLN 414 Cb 0.59 0.20 -0.13 0.00 1.07 0.00 0.00 27.48 29.21 1xwf h GLN 414 CO -0.82 -0.60 0.14 -0.92 -2.65 0.00 0.00 178.83 173.98 1xwf h TYR 415 N -0.93 0.18 0.00 3.99 3.20 0.15 0.20 116.97 123.76 1xwf h TYR 415 Ca -0.06 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1xwf h TYR 415 Cb 0.79 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1xwf h TYR 415 CO -0.17 -0.20 -0.31 -0.07 -1.64 0.00 0.00 178.16 175.78 1xwf h LEU 416 N 0.18 0.00 -2.04 2.82 3.38 0.52 -3.48 115.31 116.70 1xwf h LEU 416 Ca 0.47 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.34 1xwf h LEU 416 Cb 0.89 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.70 1xwf h LEU 416 CO -0.63 0.31 -0.27 0.61 0.09 0.00 0.00 178.44 178.55 1xwf n GLY 417 N 0.58 0.17 3.36 0.83 0.00 0.20 -5.06 105.19 105.27 1xwf n GLY 417 Ca 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1xwf n GLY 417 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xwf s MET 418 N -4.30 0.97 0.10 1.61 0.23 -0.97 -5.04 119.30 111.90 1xwf s MET 418 Ca 0.03 -0.28 -0.31 0.00 -1.03 0.00 0.00 55.69 54.09 1xwf s MET 418 Cb -0.00 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 33.66 1xwf s MET 418 CO 0.25 -0.34 1.37 -1.25 -2.03 0.00 0.00 175.02 173.02 1xwf s PRO 419 N -2.39 4.33 0.60 3.16 0.04 -1.26 -4.48 135.00 134.99 1xwf s PRO 419 Ca -0.06 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.30 1xwf s PRO 419 Cb -0.01 -3.28 1.20 0.00 0.04 0.00 0.00 34.50 32.45 1xwf s PRO 419 CO -0.02 -0.42 1.57 0.97 0.04 0.00 0.00 177.00 179.14 1xwf h ILE 420 N 4.34 0.15 0.00 0.56 2.10 -1.95 -0.11 117.51 122.60 1xwf h ILE 420 Ca -0.42 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.50 1xwf h ILE 420 Cb 1.21 0.26 -0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1xwf h ILE 420 CO 0.86 0.00 -1.11 0.59 -1.08 0.00 0.00 178.15 177.41 1xwf n ASN 421 N -3.47 4.58 -3.96 2.19 4.13 -1.26 -4.52 115.26 112.95 1xwf n ASN 421 Ca 0.18 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.16 1xwf n ASN 421 Cb 1.20 0.65 0.21 0.00 -1.54 0.00 0.00 39.78 40.31 1xwf n ASN 421 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xwf n GLY 422 N 2.79 -2.71 3.61 7.41 0.00 -0.05 -4.83 105.19 111.40 1xwf n GLY 422 Ca -0.02 -1.08 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 1xwf n GLY 422 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwf n PRO 423 N -3.44 1.45 0.00 1.61 -0.02 -1.26 -4.71 135.00 128.64 1xwf n PRO 423 Ca 0.05 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1xwf n PRO 423 Cb 0.54 -2.07 0.17 0.00 -0.02 0.00 0.00 33.50 32.12 1xwf n PRO 423 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xwf n PHE 424 N 1.63 0.00 -3.90 6.00 3.72 -1.26 -4.62 117.46 119.02 1xwf n PHE 424 Ca 0.14 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 1xwf n PHE 424 Cb 0.27 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 1xwf n PHE 424 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xwf s LYS 425 N -2.31 0.56 1.08 -1.08 1.02 -1.26 -5.13 119.74 112.62 1xwf s LYS 425 Ca 0.24 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.48 1xwf s LYS 425 Cb 0.19 0.23 0.24 0.00 -0.52 0.00 0.00 37.83 37.97 1xwf s LYS 425 CO 0.47 -0.14 1.07 -2.14 -0.92 0.00 0.00 175.35 173.68 1xwf s PRO 426 N -2.23 -0.30 0.26 -1.68 0.02 -1.26 -4.90 135.00 124.90 1xwf s PRO 426 Ca -0.08 1.09 0.10 0.00 0.02 0.00 0.00 61.00 62.12 1xwf s PRO 426 Cb -0.03 -1.61 0.30 0.00 0.02 0.00 0.00 34.50 33.18 1xwf s PRO 426 CO -0.03 -3.38 1.58 -0.44 -0.33 0.00 0.00 177.00 174.40 1xwf h ASP 427 N -2.39 0.02 -0.06 2.53 3.32 -2.03 -2.72 116.42 115.09 1xwf h ASP 427 Ca -0.55 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1xwf h ASP 427 Cb 1.31 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1xwf h ASP 427 CO 0.47 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 1xwf n HIS 428 N -3.77 0.08 -1.74 4.55 1.44 -1.26 -4.88 115.22 109.63 1xwf n HIS 428 Ca -0.01 -0.04 -0.41 0.00 -2.01 0.00 0.00 57.72 55.24 1xwf n HIS 428 Cb 0.65 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.76 1xwf n HIS 428 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1xwf n TYR 429 N -0.33 2.66 0.62 -1.40 9.36 -1.03 -4.92 117.16 122.12 1xwf n TYR 429 Ca 0.15 0.48 0.07 0.00 3.32 0.00 0.00 57.90 61.92 1xwf n TYR 429 Cb 0.18 -2.47 -0.08 0.00 -0.63 0.00 0.00 39.34 36.33 1xwf n TYR 429 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1xwf n ARG 430 N 0.32 2.09 -0.25 2.98 1.74 -1.26 -5.03 116.66 117.24 1xwf n ARG 430 Ca 0.03 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1xwf n ARG 430 Cb 0.39 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1xwf n ARG 430 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77