#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6y s LEU 2 N 0.00 4.46 -0.29 -0.89 2.96 -0.36 -4.98 118.68 119.58 1f6y s LEU 2 Ca 0.00 -0.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.39 1f6y s LEU 2 Cb 0.00 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.96 1f6y s LEU 2 CO 0.00 -0.74 0.92 -0.63 -1.32 0.00 0.00 176.35 174.58 1f6y s ILE 3 N 2.79 4.70 -0.46 6.68 -1.09 -1.26 -1.32 121.20 131.25 1f6y s ILE 3 Ca 0.23 1.55 -0.18 0.00 -2.23 0.00 0.00 60.65 60.02 1f6y s ILE 3 Cb -0.14 -4.24 0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1f6y s ILE 3 CO 0.18 -0.27 0.52 -0.63 -1.23 0.00 0.00 174.94 173.52 1f6y s ILE 4 N 3.17 5.00 0.29 2.92 1.01 0.15 -1.71 121.20 132.02 1f6y s ILE 4 Ca 0.38 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1f6y s ILE 4 Cb -0.14 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 1f6y s ILE 4 CO 0.11 -0.59 1.51 -0.83 0.00 0.00 0.00 174.94 175.14 1f6y s GLY 5 N 2.20 2.32 0.00 6.18 0.00 -0.82 -0.68 107.32 116.52 1f6y s GLY 5 Ca 0.14 1.46 0.22 0.00 0.00 0.00 0.00 44.72 46.54 1f6y s GLY 5 CO 0.13 2.39 1.03 -1.84 0.00 0.00 0.00 173.10 174.81 1f6y n GLU 6 N 2.00 0.34 -0.12 2.90 0.28 -0.23 -0.89 120.64 124.92 1f6y n GLU 6 Ca 0.06 -0.27 -0.10 0.00 -0.16 0.00 0.00 57.16 56.69 1f6y n GLU 6 Cb 0.39 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.74 1f6y n GLU 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1f6y h ARG 7 N 0.66 0.59 -4.32 3.44 9.65 -1.84 -3.31 114.38 119.24 1f6y h ARG 7 Ca 0.00 -0.16 -0.60 0.00 -1.10 0.00 0.00 59.98 58.12 1f6y h ARG 7 Cb 0.56 -0.07 0.05 0.00 -1.39 0.00 0.00 29.97 29.13 1f6y h ARG 7 CO 0.00 0.67 2.30 -0.89 2.80 0.00 0.00 179.97 184.85 1f6y n ILE 8 N -4.56 1.82 -4.95 1.20 5.41 -1.26 -4.81 119.36 112.20 1f6y n ILE 8 Ca -0.01 -1.48 -0.28 0.00 1.00 0.00 0.00 62.75 61.97 1f6y n ILE 8 Cb 0.23 -2.27 -0.15 0.00 -0.71 0.00 0.00 39.64 36.75 1f6y n ILE 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1f6y s ASN 9 N 4.82 2.75 0.00 4.38 3.04 -1.25 -1.46 114.94 127.22 1f6y s ASN 9 Ca 0.54 -0.48 0.21 0.00 0.04 0.00 0.00 52.86 53.16 1f6y s ASN 9 Cb 0.14 -0.27 0.94 0.00 -1.54 0.00 0.00 41.25 40.52 1f6y s ASN 9 CO 0.10 0.24 1.66 0.61 -3.04 0.00 0.00 177.10 176.68 1f6y n GLY 10 N 2.16 -1.12 0.20 1.21 0.00 -0.73 -2.58 105.19 104.32 1f6y n GLY 10 Ca -0.16 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1f6y n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6y h MET 11 N 0.00 0.00 -6.69 1.61 -0.00 -1.87 -3.37 114.93 104.60 1f6y h MET 11 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 59.70 59.20 1f6y h MET 11 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.87 1f6y h MET 11 CO 0.00 0.34 0.25 -0.06 -0.00 0.00 0.00 176.91 177.44 1f6y s PHE 12 N -4.07 3.80 0.11 -0.10 0.08 -1.07 -4.96 117.98 111.78 1f6y s PHE 12 Ca -0.02 1.69 -0.25 0.00 0.12 0.00 0.00 56.93 58.47 1f6y s PHE 12 Cb 0.13 -2.83 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 1f6y s PHE 12 CO 0.70 0.37 1.67 0.78 -0.10 0.00 0.00 175.22 178.64 1f6y h GLY 13 N 3.73 -0.26 1.59 4.36 0.00 -1.88 -0.63 103.07 109.97 1f6y h GLY 13 Ca -0.47 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1f6y h GLY 13 CO 0.66 -0.16 0.11 1.29 0.00 0.00 0.00 176.54 178.44 1f6y h ASP 14 N -0.30 0.48 0.09 0.19 -0.00 -1.94 -0.21 116.42 114.74 1f6y h ASP 14 Ca 0.03 -0.06 -0.23 0.00 -0.00 0.00 0.00 57.03 56.77 1f6y h ASP 14 Cb 0.33 -0.12 0.01 0.00 -0.00 0.00 0.00 39.33 39.55 1f6y h ASP 14 CO -0.11 0.48 -0.90 0.40 -0.00 0.00 0.00 179.24 179.10 1f6y h ILE 15 N 0.53 1.33 -0.70 4.15 1.08 -1.76 -1.01 117.51 121.12 1f6y h ILE 15 Ca 0.13 -2.21 0.12 0.00 -0.39 0.00 0.00 64.86 62.50 1f6y h ILE 15 Cb 0.17 2.25 -0.08 0.00 -3.07 0.00 0.00 36.82 36.09 1f6y h ILE 15 CO -0.01 0.68 0.29 0.50 -0.69 0.00 0.00 178.15 178.93 1f6y h LYS 16 N 0.37 0.46 0.15 2.37 3.64 0.21 -1.12 116.57 122.65 1f6y h LYS 16 Ca -0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1f6y h LYS 16 Cb 1.53 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1f6y h LYS 16 CO 0.17 0.31 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.50 1f6y h ARG 17 N 0.48 -0.19 -0.65 1.90 2.43 -1.06 -3.10 114.38 114.19 1f6y h ARG 17 Ca 0.37 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.73 1f6y h ARG 17 Cb 0.49 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1f6y h ARG 17 CO -0.34 0.25 0.46 0.00 -1.51 0.00 0.00 179.97 178.83 1f6y h ALA 18 N -0.29 2.55 0.09 2.80 0.00 -1.07 0.25 119.26 123.59 1f6y h ALA 18 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1f6y h ALA 18 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1f6y h ALA 18 CO 0.03 -0.73 -0.05 0.82 0.00 0.00 0.00 179.25 179.33 1f6y h ILE 19 N 0.05 0.00 -0.77 0.00 2.04 -1.27 0.53 117.51 118.09 1f6y h ILE 19 Ca 0.31 -0.06 0.18 0.00 1.00 0.00 0.00 64.86 66.29 1f6y h ILE 19 Cb 1.17 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.13 1f6y h ILE 19 CO -0.02 0.00 0.18 -0.61 0.00 0.00 0.00 178.15 177.70 1f6y h GLN 20 N -0.19 0.24 0.00 2.37 5.75 -1.35 1.14 115.11 123.06 1f6y h GLN 20 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1f6y h GLN 20 Cb 0.10 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1f6y h GLN 20 CO 0.02 0.16 0.00 0.39 -2.65 0.00 0.00 178.83 176.75 1f6y n GLU 21 N -5.19 0.40 -4.18 1.69 1.02 0.85 -4.89 120.64 110.35 1f6y n GLU 21 Ca 0.16 0.06 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 1f6y n GLU 21 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1f6y n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f6y n ARG 22 N -1.24 -2.73 -3.60 3.49 5.12 0.39 -4.95 116.66 113.14 1f6y n ARG 22 Ca 0.12 0.33 -0.39 0.00 -1.93 0.00 0.00 57.85 55.98 1f6y n ARG 22 Cb 0.17 -4.70 -0.11 0.00 -1.16 0.00 0.00 32.46 26.65 1f6y n ARG 22 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1f6y s ASP 23 N -3.76 5.85 0.13 0.55 3.68 0.17 -4.98 116.67 118.31 1f6y s ASP 23 Ca 0.43 -0.26 0.26 0.00 2.13 0.00 0.00 52.55 55.11 1f6y s ASP 23 Cb -0.24 -2.08 0.73 0.00 -1.45 0.00 0.00 42.92 39.88 1f6y s ASP 23 CO 0.93 -0.13 1.65 -0.81 0.13 0.00 0.00 175.17 176.94 1f6y n PRO 24 N 5.05 0.20 -0.06 4.34 -0.04 -1.26 -4.20 135.00 139.02 1f6y n PRO 24 Ca -0.14 0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1f6y n PRO 24 Cb 0.51 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 1f6y n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f6y h ALA 25 N 2.65 -0.15 -0.54 0.55 0.00 -1.94 0.32 119.26 120.14 1f6y h ALA 25 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1f6y h ALA 25 Cb 0.68 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1f6y h ALA 25 CO 0.00 -0.69 0.20 -1.35 0.00 0.00 0.00 179.25 177.41 1f6y h PRO 26 N -0.26 0.80 -0.01 0.00 0.11 -1.94 -2.54 132.00 128.16 1f6y h PRO 26 Ca 0.14 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1f6y h PRO 26 Cb 0.49 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1f6y h PRO 26 CO -0.42 0.67 -0.00 0.28 -0.21 0.00 0.00 178.00 178.32 1f6y h VAL 27 N 0.78 1.26 -0.67 3.15 2.07 -1.48 -2.71 116.25 118.65 1f6y h VAL 27 Ca 0.18 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1f6y h VAL 27 Cb 0.19 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1f6y h VAL 27 CO -0.01 0.20 0.43 1.56 0.02 0.00 0.00 177.57 179.77 1f6y h GLN 28 N -0.30 0.84 -0.29 1.57 4.20 -0.26 -1.14 115.11 119.73 1f6y h GLN 28 Ca 0.00 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1f6y h GLN 28 Cb 0.33 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1f6y h GLN 28 CO 0.00 0.56 -0.20 0.93 -0.67 0.00 0.00 178.83 179.45 1f6y h GLU 29 N 0.86 0.65 -0.59 1.46 4.39 -1.49 -0.54 114.58 119.31 1f6y h GLU 29 Ca 0.26 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1f6y h GLU 29 Cb -0.04 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1f6y h GLU 29 CO -0.08 0.90 0.39 -1.49 -1.16 0.00 0.00 179.01 177.57 1f6y h TRP 30 N 0.39 0.67 -0.84 4.33 -0.00 -1.32 0.30 115.95 119.47 1f6y h TRP 30 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1f6y h TRP 30 Cb 0.74 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.64 1f6y h TRP 30 CO 0.07 0.39 0.48 0.00 -0.00 0.00 0.00 178.44 179.37 1f6y h ALA 31 N 1.66 1.07 -0.07 1.49 0.00 -0.56 -1.28 119.26 121.57 1f6y h ALA 31 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1f6y h ALA 31 Cb 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1f6y h ALA 31 CO -0.06 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1f6y h ARG 32 N 1.16 0.11 -0.34 0.00 3.08 0.61 -2.86 114.38 116.14 1f6y h ARG 32 Ca 0.30 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1f6y h ARG 32 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1f6y h ARG 32 CO -0.05 0.29 0.16 0.00 -1.07 0.00 0.00 179.97 179.31 1f6y h ARG 33 N -0.10 0.49 0.15 0.04 2.47 -0.33 -0.45 114.38 116.66 1f6y h ARG 33 Ca 0.02 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1f6y h ARG 33 Cb 0.23 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1f6y h ARG 33 CO -0.00 0.46 -0.15 1.96 0.56 0.00 0.00 179.97 182.80 1f6y h GLN 34 N 0.41 -0.32 -0.94 0.04 4.20 -1.30 -0.58 115.11 116.63 1f6y h GLN 34 Ca 0.12 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.90 1f6y h GLN 34 Cb 0.13 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1f6y h GLN 34 CO -0.01 -0.21 0.61 1.49 -0.67 0.00 0.00 178.83 180.03 1f6y h GLU 35 N -0.33 1.11 -0.98 1.46 4.81 -1.38 -1.21 114.58 118.05 1f6y h GLU 35 Ca 0.01 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1f6y h GLU 35 Cb 0.31 -0.25 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 1f6y h GLU 35 CO -0.04 0.73 0.64 0.93 -0.73 0.00 0.00 179.01 180.53 1f6y h GLU 36 N 1.14 1.09 -0.32 1.92 5.08 -0.38 -0.81 114.58 122.29 1f6y h GLU 36 Ca 0.39 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1f6y h GLU 36 Cb 0.09 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1f6y h GLU 36 CO -0.15 0.72 0.05 0.78 -1.00 0.00 0.00 179.01 179.41 1f6y h GLY 37 N 1.13 0.51 0.00 -3.84 0.00 0.08 -3.46 103.07 97.48 1f6y h GLY 37 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1f6y h GLY 37 CO -0.18 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1f6y n GLY 38 N -1.04 0.33 3.63 4.60 0.00 -0.31 -4.86 105.19 107.53 1f6y n GLY 38 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.56 1f6y n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6y n ALA 39 N 0.00 0.16 0.06 4.61 0.00 -0.98 -4.76 120.51 119.61 1f6y n ALA 39 Ca 0.00 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.91 1f6y n ALA 39 Cb 0.00 -2.17 0.04 0.00 0.00 0.00 0.00 19.45 17.32 1f6y n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1f6y n ARG 40 N 2.16 1.21 -4.15 0.00 1.74 -0.69 -4.38 116.66 112.55 1f6y n ARG 40 Ca 0.14 -1.22 -0.12 0.00 -0.77 0.00 0.00 57.85 55.88 1f6y n ARG 40 Cb 0.27 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.53 1f6y n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1f6y s ALA 41 N -0.67 0.89 -0.14 7.54 0.00 -1.14 -3.59 121.76 124.65 1f6y s ALA 41 Ca 0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 1f6y s ALA 41 Cb 0.04 1.31 0.06 0.00 0.00 0.00 0.00 23.12 24.53 1f6y s ALA 41 CO 0.06 -0.67 0.15 -0.51 0.00 0.00 0.00 175.76 174.79 1f6y s LEU 42 N -3.16 0.04 0.27 0.00 2.01 -0.19 -1.95 118.68 115.70 1f6y s LEU 42 Ca 0.35 -0.09 -0.29 0.00 0.01 0.00 0.00 54.13 54.10 1f6y s LEU 42 Cb 0.04 0.14 -0.10 0.00 0.01 0.00 0.00 46.19 46.29 1f6y s LEU 42 CO 0.14 -0.30 1.29 -0.62 1.01 0.00 0.00 176.35 177.87 1f6y s ASP 43 N 2.25 6.88 -0.31 2.29 2.15 -0.06 0.18 116.67 130.04 1f6y s ASP 43 Ca 0.04 2.53 0.02 0.00 0.43 0.00 0.00 52.55 55.56 1f6y s ASP 43 Cb -0.14 -2.63 0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1f6y s ASP 43 CO -0.08 -0.49 0.05 -0.76 -0.17 0.00 0.00 175.17 173.71 1f6y s LEU 44 N -1.03 3.45 0.05 -1.34 1.43 -0.40 -4.16 118.68 116.67 1f6y s LEU 44 Ca 0.52 -1.79 0.09 0.00 -1.03 0.00 0.00 54.13 51.92 1f6y s LEU 44 Cb -0.38 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1f6y s LEU 44 CO 0.45 -0.36 -0.24 0.21 0.23 0.00 0.00 176.35 176.63 1f6y s ASN 45 N 1.25 3.33 -0.03 2.29 3.84 -0.54 -0.89 114.94 124.20 1f6y s ASN 45 Ca 0.07 -0.56 0.13 0.00 0.21 0.00 0.00 52.86 52.72 1f6y s ASN 45 Cb -0.18 -0.36 -0.21 0.00 -0.55 0.00 0.00 41.25 39.94 1f6y s ASN 45 CO -0.14 0.25 0.68 0.52 -2.79 0.00 0.00 177.10 175.63 1f6y n VAL 46 N 1.68 1.53 0.00 -5.21 0.31 -1.26 -1.78 118.33 113.60 1f6y n VAL 46 Ca -0.17 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 1f6y n VAL 46 Cb 0.52 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1f6y n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6y n GLY 47 N 1.53 2.62 0.00 2.92 0.00 -1.26 -4.17 105.19 106.83 1f6y n GLY 47 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1f6y n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f6y n ASP 52 N 1.73 0.00 -0.28 1.61 4.64 -1.26 -4.94 116.55 118.05 1f6y n ASP 52 Ca 0.00 0.00 0.22 0.00 -1.38 0.00 0.00 54.79 53.63 1f6y n ASP 52 Cb 0.00 0.00 0.53 0.00 -1.04 0.00 0.00 41.12 40.61 1f6y n ASP 52 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1f6y h LYS 53 N 0.00 0.36 0.60 -0.67 1.79 -1.99 0.31 116.57 116.96 1f6y h LYS 53 Ca 0.00 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1f6y h LYS 53 Cb 0.00 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1f6y h LYS 53 CO 0.00 0.24 -0.29 0.28 -1.08 0.00 0.00 179.45 178.60 1f6y h VAL 54 N 0.37 0.28 -0.12 0.50 2.07 -1.91 0.55 116.25 117.98 1f6y h VAL 54 Ca 0.52 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1f6y h VAL 54 Cb 1.37 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1f6y h VAL 54 CO -0.21 0.03 -0.09 0.77 0.02 0.00 0.00 177.57 178.10 1f6y h SER 55 N -1.04 0.17 0.51 0.57 4.64 -1.88 -1.54 113.55 114.97 1f6y h SER 55 Ca -0.08 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1f6y h SER 55 Cb 0.67 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1f6y h SER 55 CO 0.13 0.29 -0.25 0.00 -0.87 0.00 0.00 176.83 176.14 1f6y h ALA 56 N 1.74 -0.69 -0.18 5.18 0.00 -0.68 -0.08 119.26 124.56 1f6y h ALA 56 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1f6y h ALA 56 Cb 0.28 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1f6y h ALA 56 CO 0.01 -0.76 -0.37 1.98 0.00 0.00 0.00 179.25 180.12 1f6y h MET 57 N -0.93 -0.40 -0.88 0.00 -1.53 0.23 0.37 114.93 111.79 1f6y h MET 57 Ca -0.07 0.03 0.23 0.00 -3.44 0.00 0.00 59.70 56.45 1f6y h MET 57 Cb 0.61 0.09 -0.14 0.00 -0.55 0.00 0.00 31.60 31.60 1f6y h MET 57 CO 0.12 -0.27 0.20 0.93 0.14 0.00 0.00 176.91 178.03 1f6y h GLU 58 N -0.42 0.17 0.14 0.39 5.08 -1.30 0.47 114.58 119.11 1f6y h GLU 58 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1f6y h GLU 58 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1f6y h GLU 58 CO -0.40 0.11 -0.07 2.35 -1.00 0.00 0.00 179.01 180.00 1f6y h TRP 59 N 0.18 -0.18 -0.52 4.33 7.01 0.11 -1.51 115.95 125.38 1f6y h TRP 59 Ca 0.55 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.62 1f6y h TRP 59 Cb 1.10 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 28.16 1f6y h TRP 59 CO -0.30 -0.05 0.16 -0.07 -2.79 0.00 0.00 178.44 175.39 1f6y h LEU 60 N -0.25 0.13 0.18 0.65 -0.00 0.21 0.48 115.31 116.71 1f6y h LEU 60 Ca -0.02 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1f6y h LEU 60 Cb 0.20 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1f6y h LEU 60 CO 0.03 0.10 -0.28 0.58 -0.00 0.00 0.00 178.44 178.87 1f6y h VAL 61 N 0.33 0.00 -0.15 1.22 2.07 -0.04 -0.73 116.25 118.94 1f6y h VAL 61 Ca 0.26 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 1f6y h VAL 61 Cb 0.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1f6y h VAL 61 CO -0.28 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 176.89 1f6y h GLU 62 N -0.48 -0.07 -0.29 1.57 5.08 -0.96 -1.09 114.58 118.33 1f6y h GLU 62 Ca -0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1f6y h GLU 62 Cb 0.44 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1f6y h GLU 62 CO -0.09 -0.05 -0.07 0.28 -1.00 0.00 0.00 179.01 178.09 1f6y h VAL 63 N -0.08 0.71 -0.15 3.13 2.07 -0.92 -2.35 116.25 118.67 1f6y h VAL 63 Ca 0.09 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1f6y h VAL 63 Cb 0.21 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1f6y h VAL 63 CO -0.20 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.12 1f6y h THR 64 N 0.01 1.26 0.00 2.57 2.02 -0.45 -2.50 112.91 115.82 1f6y h THR 64 Ca 0.14 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1f6y h THR 64 Cb 0.21 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1f6y h THR 64 CO -0.30 0.26 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1f6y n GLN 65 N -4.74 0.28 0.30 6.66 10.64 -0.48 -1.02 117.38 129.02 1f6y n GLN 65 Ca -0.05 0.09 0.17 0.00 -1.83 0.00 0.00 57.00 55.38 1f6y n GLN 65 Cb 0.22 -1.50 0.92 0.00 -0.86 0.00 0.00 30.24 29.03 1f6y n GLN 65 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1f6y h GLU 66 N 0.00 0.00 0.00 2.61 4.81 -0.94 -3.32 114.58 117.74 1f6y h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f6y h GLU 66 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1f6y h GLU 66 CO 0.00 0.04 -0.48 1.33 -0.73 0.00 0.00 179.01 179.17 1f6y n VAL 67 N -3.39 0.00 -4.90 0.32 0.24 -0.19 -5.06 118.33 105.35 1f6y n VAL 67 Ca -0.02 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.34 61.95 1f6y n VAL 67 Cb 0.17 0.45 -0.16 0.00 -1.47 0.00 0.00 33.84 32.83 1f6y n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1f6y s SER 68 N -1.09 2.27 0.00 -1.34 0.15 -0.36 -4.96 113.70 108.36 1f6y s SER 68 Ca 0.00 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.54 1f6y s SER 68 Cb 0.00 -0.51 0.86 0.00 -1.71 0.00 0.00 66.02 64.66 1f6y s SER 68 CO 0.00 0.19 1.63 0.59 1.20 0.00 0.00 173.24 176.85 1f6y n ASN 69 N 2.96 1.78 -4.76 5.45 4.13 -1.26 -4.32 115.26 119.25 1f6y n ASN 69 Ca -0.17 -1.62 -0.38 0.00 1.68 0.00 0.00 54.58 54.09 1f6y n ASN 69 Cb 0.53 -0.03 0.03 0.00 -1.54 0.00 0.00 39.78 38.77 1f6y n ASN 69 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1f6y s LEU 70 N -1.89 3.92 0.16 3.41 1.43 -1.26 -4.91 118.68 119.54 1f6y s LEU 70 Ca 0.36 2.70 -0.34 0.00 -1.03 0.00 0.00 54.13 55.82 1f6y s LEU 70 Cb 0.20 -4.22 -0.15 0.00 0.03 0.00 0.00 46.19 42.05 1f6y s LEU 70 CO 0.31 -1.40 1.30 0.41 0.23 0.00 0.00 176.35 177.21 1f6y n THR 71 N -0.81 0.58 -3.34 5.49 -1.04 -1.24 -4.82 114.28 109.10 1f6y n THR 71 Ca 0.09 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.58 1f6y n THR 71 Cb 0.45 -1.02 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 1f6y n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6y s LEU 72 N 0.54 4.21 -0.72 -4.42 1.02 -1.26 -1.03 118.68 117.03 1f6y s LEU 72 Ca 0.76 0.68 -0.08 0.00 0.02 0.00 0.00 54.13 55.51 1f6y s LEU 72 Cb -0.82 -2.62 0.19 0.00 0.02 0.00 0.00 46.19 42.95 1f6y s LEU 72 CO 0.49 -0.05 0.60 0.00 0.02 0.00 0.00 176.35 177.41 1f6y s LEU 74 N 0.03 3.59 -0.49 0.00 1.43 -0.07 -1.28 118.68 121.88 1f6y s LEU 74 Ca 0.17 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.50 1f6y s LEU 74 Cb -0.15 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.66 1f6y s LEU 74 CO -0.06 -1.59 0.38 -0.62 0.23 0.00 0.00 176.35 174.68 1f6y s ASP 75 N 5.54 5.79 -0.18 2.29 3.68 -0.06 -1.04 116.67 132.69 1f6y s ASP 75 Ca 0.77 -1.92 -0.33 0.00 2.13 0.00 0.00 52.55 53.20 1f6y s ASP 75 Cb -0.22 -2.05 0.14 0.00 -1.45 0.00 0.00 42.92 39.34 1f6y s ASP 75 CO 0.33 -0.72 1.16 -0.55 0.13 0.00 0.00 175.17 175.52 1f6y s SER 76 N 2.80 -0.18 0.00 -0.34 0.15 -0.09 -4.30 113.70 111.73 1f6y s SER 76 Ca 0.06 0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.00 1f6y s SER 76 Cb -0.27 0.18 0.14 0.00 -1.71 0.00 0.00 66.02 64.36 1f6y s SER 76 CO -0.00 -0.27 1.19 0.35 1.20 0.00 0.00 173.24 175.71 1f6y n THR 77 N 0.10 0.00 -2.67 6.45 -2.24 -1.26 -3.78 114.28 110.88 1f6y n THR 77 Ca -0.02 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1f6y n THR 77 Cb 0.59 1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 70.21 1f6y n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1f6y s ASN 78 N -2.04 6.28 0.35 3.42 2.47 -1.26 -4.90 114.94 119.25 1f6y s ASN 78 Ca 0.25 -0.95 0.07 0.00 0.42 0.00 0.00 52.86 52.65 1f6y s ASN 78 Cb 0.19 -2.51 0.77 0.00 -1.45 0.00 0.00 41.25 38.25 1f6y s ASN 78 CO 0.35 -1.59 1.89 0.40 -3.72 0.00 0.00 177.10 174.43 1f6y h ILE 79 N 6.16 0.90 -0.50 -5.21 2.04 -1.99 0.31 117.51 119.22 1f6y h ILE 79 Ca -0.14 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1f6y h ILE 79 Cb 1.04 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1f6y h ILE 79 CO 1.27 0.14 0.11 0.11 0.00 0.00 0.00 178.15 179.77 1f6y h LYS 80 N 0.75 0.81 -0.27 2.37 6.56 -1.98 0.49 116.57 125.30 1f6y h LYS 80 Ca 0.42 -0.20 0.06 0.00 -1.06 0.00 0.00 60.65 59.86 1f6y h LYS 80 Cb 0.57 -0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.08 1f6y h LYS 80 CO -0.18 0.79 -0.07 0.00 -2.06 0.00 0.00 179.45 177.93 1f6y h ALA 81 N 0.99 0.18 0.89 3.86 0.00 -0.83 0.93 119.26 125.27 1f6y h ALA 81 Ca 0.16 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1f6y h ALA 81 Cb 0.36 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1f6y h ALA 81 CO 0.00 -0.47 -0.49 0.82 0.00 0.00 0.00 179.25 179.12 1f6y h ILE 82 N -0.00 0.02 -0.53 0.00 2.04 -0.59 0.41 117.51 118.85 1f6y h ILE 82 Ca 0.13 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.10 1f6y h ILE 82 Cb 0.20 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.21 1f6y h ILE 82 CO -0.28 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 177.77 1f6y h GLU 83 N -1.27 0.09 0.00 2.37 4.81 0.13 0.40 114.58 121.11 1f6y h GLU 83 Ca -0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1f6y h GLU 83 Cb 1.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1f6y h GLU 83 CO 0.16 0.06 -0.18 0.00 -0.73 0.00 0.00 179.01 178.32 1f6y h ALA 84 N 1.49 1.34 0.23 2.92 0.00 0.11 -2.78 119.26 122.57 1f6y h ALA 84 Ca 0.27 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1f6y h ALA 84 Cb 0.42 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1f6y h ALA 84 CO -0.46 0.23 -1.57 0.78 0.00 0.00 0.00 179.25 178.23 1f6y h GLY 85 N 0.96 0.55 0.44 0.00 0.00 0.20 -3.33 103.07 101.88 1f6y h GLY 85 Ca -0.00 -1.40 0.05 0.00 0.00 0.00 0.00 47.33 45.98 1f6y h GLY 85 CO 0.02 1.23 -0.09 1.41 0.00 0.00 0.00 176.54 179.11 1f6y h LEU 86 N 0.13 -0.31 -2.01 3.11 4.07 -0.08 -2.47 115.31 117.75 1f6y h LEU 86 Ca -0.28 0.09 0.13 0.00 0.08 0.00 0.00 57.88 57.89 1f6y h LEU 86 Cb 2.14 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 44.05 1f6y h LEU 86 CO 0.24 -0.12 0.32 0.11 -1.08 0.00 0.00 178.44 177.92 1f6y h LYS 87 N -0.04 0.00 -0.01 1.13 1.57 -1.63 0.17 116.57 117.76 1f6y h LYS 87 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1f6y h LYS 87 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1f6y h LYS 87 CO -0.28 0.00 -0.11 1.63 -0.57 0.00 0.00 179.45 180.11 1f6y n LYS 88 N -4.36 1.42 -2.44 3.15 4.01 -0.94 -4.90 118.16 114.09 1f6y n LYS 88 Ca 0.08 -0.89 -0.42 0.00 -0.51 0.00 0.00 58.31 56.57 1f6y n LYS 88 Cb 0.52 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 1f6y n LYS 88 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1f6y h LYS 90 N 6.21 0.03 -5.88 0.00 2.10 -1.91 -3.47 116.57 113.65 1f6y h LYS 90 Ca -0.43 -0.05 -0.57 0.00 -2.00 0.00 0.00 60.65 57.61 1f6y h LYS 90 Cb 1.21 0.02 -0.08 0.00 -0.90 0.00 0.00 32.23 32.48 1f6y h LYS 90 CO 0.78 0.76 -0.49 -0.80 -2.00 0.00 0.00 179.45 177.70 1f6y s ASN 91 N -6.43 4.43 0.35 7.07 0.01 -1.26 -5.10 114.94 114.02 1f6y s ASN 91 Ca -0.03 -1.10 -0.29 0.00 -0.71 0.00 0.00 52.86 50.73 1f6y s ASN 91 Cb 0.09 -0.41 -0.11 0.00 0.41 0.00 0.00 41.25 41.23 1f6y s ASN 91 CO 0.82 -0.58 1.53 -0.60 -1.51 0.00 0.00 177.10 176.76 1f6y s ARG 92 N -3.93 4.10 0.16 -0.60 3.52 -1.26 -4.88 118.95 116.06 1f6y s ARG 92 Ca 0.40 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.59 1f6y s ARG 92 Cb 0.03 -2.98 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1f6y s ARG 92 CO 0.22 -0.58 0.02 0.00 -0.81 0.00 0.00 175.30 174.15 1f6y n ALA 93 N 0.95 0.16 -2.73 6.12 0.00 -1.26 -3.99 120.51 119.75 1f6y n ALA 93 Ca 0.03 -0.75 -0.17 0.00 0.00 0.00 0.00 53.44 52.56 1f6y n ALA 93 Cb 0.39 0.44 -0.14 0.00 0.00 0.00 0.00 19.45 20.13 1f6y n ALA 93 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1f6y s MET 94 N -2.59 0.55 -0.21 0.00 1.00 -0.01 -2.01 119.30 116.04 1f6y s MET 94 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 55.69 55.27 1f6y s MET 94 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 34.83 34.27 1f6y s MET 94 CO 0.02 0.14 0.37 0.42 0.00 0.00 0.00 175.02 175.96 1f6y s ILE 95 N -0.27 5.22 -0.46 2.53 1.01 -0.55 -0.89 121.20 127.79 1f6y s ILE 95 Ca 0.02 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.33 1f6y s ILE 95 Cb -0.03 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 38.87 1f6y s ILE 95 CO -0.00 0.26 0.23 0.21 0.00 0.00 0.00 174.94 175.64 1f6y s ASN 96 N 1.06 3.96 0.00 3.58 2.47 -0.21 -1.53 114.94 124.28 1f6y s ASN 96 Ca 0.18 -2.70 0.00 0.00 0.42 0.00 0.00 52.86 50.76 1f6y s ASN 96 Cb -0.15 -1.27 0.00 0.00 -1.45 0.00 0.00 41.25 38.38 1f6y s ASN 96 CO 0.08 -0.27 0.00 -1.54 -3.72 0.00 0.00 177.10 171.65 1f6y n SER 97 N 3.48 0.00 -4.39 -4.21 3.41 -1.25 -0.91 113.62 109.75 1f6y n SER 97 Ca 0.07 -0.83 -0.23 0.00 -0.26 0.00 0.00 58.87 57.62 1f6y n SER 97 Cb 0.34 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1f6y n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f6y s THR 98 N -2.88 2.08 0.00 6.66 -1.32 0.24 -4.93 115.64 115.51 1f6y s THR 98 Ca 0.00 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 1f6y s THR 98 Cb 0.00 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1f6y s THR 98 CO 0.00 -0.36 0.00 -0.46 -2.21 0.00 0.00 174.62 171.59 1f6y n ASN 99 N -0.11 0.70 -0.36 8.08 6.94 -1.26 0.13 115.26 129.37 1f6y n ASN 99 Ca -0.10 -0.46 0.13 0.00 -0.02 0.00 0.00 54.58 54.13 1f6y n ASN 99 Cb 0.58 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.56 1f6y n ASN 99 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1f6y n ALA 100 N -3.00 2.58 -2.27 -2.53 0.00 0.31 -4.50 120.51 111.10 1f6y n ALA 100 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 1f6y n ALA 100 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1f6y n ALA 100 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1f6y s GLU 101 N -1.93 4.43 0.15 0.00 0.41 -1.26 -4.89 118.70 115.61 1f6y s GLU 101 Ca 0.36 1.86 -0.21 0.00 -0.41 0.00 0.00 54.97 56.57 1f6y s GLU 101 Cb 0.19 -3.30 0.04 0.00 -1.78 0.00 0.00 34.13 29.28 1f6y s GLU 101 CO 0.30 -0.25 1.64 -0.09 -0.49 0.00 0.00 175.26 176.37 1f6y h ARG 102 N 6.37 -0.19 -0.77 1.61 9.65 -1.98 0.02 114.38 129.08 1f6y h ARG 102 Ca -0.42 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 58.66 1f6y h ARG 102 Cb 1.21 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.79 1f6y h ARG 102 CO 0.80 -0.13 0.53 0.93 2.80 0.00 0.00 179.97 184.91 1f6y h GLU 103 N -0.20 0.19 0.00 0.20 3.07 -1.99 0.28 114.58 116.14 1f6y h GLU 103 Ca 0.15 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 1f6y h GLU 103 Cb 0.42 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1f6y h GLU 103 CO -0.39 0.13 -0.56 0.87 -1.40 0.00 0.00 179.01 177.66 1f6y h LYS 104 N 0.20 0.00 -0.67 2.33 1.79 -1.61 -3.31 116.57 115.31 1f6y h LYS 104 Ca 0.38 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.96 1f6y h LYS 104 Cb 1.19 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 1f6y h LYS 104 CO -0.07 0.89 -0.34 0.28 -1.08 0.00 0.00 179.45 179.12 1f6y h VAL 105 N -1.00 0.14 -1.01 0.50 2.07 -0.34 0.43 116.25 117.04 1f6y h VAL 105 Ca -0.15 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.63 1f6y h VAL 105 Cb 1.04 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1f6y h VAL 105 CO -0.09 0.00 0.67 -0.33 0.02 0.00 0.00 177.57 177.84 1f6y h GLU 106 N -0.13 0.31 0.05 1.57 5.08 -0.63 -2.79 114.58 118.03 1f6y h GLU 106 Ca 0.25 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.23 1f6y h GLU 106 Cb 0.56 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1f6y h GLU 106 CO -0.74 0.20 -2.08 1.63 -1.00 0.00 0.00 179.01 177.03 1f6y n LYS 107 N -4.51 0.66 0.05 2.33 4.76 0.33 -4.44 118.16 117.35 1f6y n LYS 107 Ca 0.23 0.29 -0.01 0.00 -2.87 0.00 0.00 58.31 55.95 1f6y n LYS 107 Cb 0.88 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 1f6y n LYS 107 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1f6y h LEU 108 N -0.34 0.00 0.01 -0.35 3.38 -0.10 -2.82 115.31 115.09 1f6y h LEU 108 Ca -0.50 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1f6y h LEU 108 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1f6y h LEU 108 CO -0.11 0.65 -0.00 -0.26 0.09 0.00 0.00 178.44 178.81 1f6y h PHE 109 N 0.00 -0.01 -0.53 1.13 -1.00 -1.71 -1.47 116.94 113.35 1f6y h PHE 109 Ca -0.12 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.68 1f6y h PHE 109 Cb 1.61 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.14 1f6y h PHE 109 CO 0.00 0.52 0.35 -1.35 -1.61 0.00 0.00 178.31 176.22 1f6y h PRO 110 N -0.54 0.64 -0.08 1.51 0.11 -1.78 -1.29 132.00 130.57 1f6y h PRO 110 Ca -0.00 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1f6y h PRO 110 Cb 0.53 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1f6y h PRO 110 CO 0.00 0.42 -0.03 1.25 -0.21 0.00 0.00 178.00 179.44 1f6y h LEU 111 N 0.66 -0.09 -0.81 2.35 6.46 -1.41 0.65 115.31 123.12 1f6y h LEU 111 Ca 0.21 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1f6y h LEU 111 Cb 0.02 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1f6y h LEU 111 CO -0.05 -0.04 -0.34 0.00 -0.62 0.00 0.00 178.44 177.39 1f6y h ALA 112 N 1.07 0.98 -0.21 1.25 0.00 -0.84 -2.64 119.26 118.87 1f6y h ALA 112 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1f6y h ALA 112 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1f6y h ALA 112 CO -0.09 0.61 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1f6y h VAL 113 N 0.42 1.25 -0.61 0.00 2.07 -1.07 0.87 116.25 119.18 1f6y h VAL 113 Ca 0.05 -0.88 0.11 0.00 0.82 0.00 0.00 66.70 66.80 1f6y h VAL 113 Cb 0.80 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 1f6y h VAL 113 CO 0.06 0.27 0.19 -0.08 0.02 0.00 0.00 177.57 178.03 1f6y h GLU 114 N 0.13 0.33 -0.61 1.57 4.81 -0.63 -1.21 114.58 118.97 1f6y h GLU 114 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1f6y h GLU 114 Cb 0.40 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1f6y h GLU 114 CO 0.01 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.23 1f6y n HIS 115 N -5.05 1.05 -3.83 0.92 8.25 -1.02 -4.92 115.22 110.62 1f6y n HIS 115 Ca 0.09 -0.45 -0.28 0.00 -0.26 0.00 0.00 57.72 56.82 1f6y n HIS 115 Cb 0.30 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.32 1f6y n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f6y n GLY 116 N 1.14 -0.50 3.73 -1.41 0.00 -0.46 -4.77 105.19 102.91 1f6y n GLY 116 Ca 0.20 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1f6y n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6y s ALA 117 N -3.31 3.40 0.77 4.61 0.00 0.29 -4.69 121.76 122.84 1f6y s ALA 117 Ca 0.63 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1f6y s ALA 117 Cb -0.31 -1.27 0.06 0.00 0.00 0.00 0.00 23.12 21.61 1f6y s ALA 117 CO 0.80 0.67 1.11 0.00 0.00 0.00 0.00 175.76 178.34 1f6y s ALA 118 N -1.43 2.16 -0.02 0.00 0.00 -0.85 -4.48 121.76 117.13 1f6y s ALA 118 Ca 0.28 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1f6y s ALA 118 Cb -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1f6y s ALA 118 CO 0.20 -1.85 -0.08 -1.17 0.00 0.00 0.00 175.76 172.87 1f6y s LEU 119 N -5.79 1.76 -0.27 0.00 2.96 0.12 -1.48 118.68 115.97 1f6y s LEU 119 Ca 0.64 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 1f6y s LEU 119 Cb -0.19 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 1f6y s LEU 119 CO 0.53 0.05 0.15 -0.63 -1.32 0.00 0.00 176.35 175.12 1f6y s ILE 120 N 0.23 4.89 -0.21 6.68 1.01 -0.58 0.17 121.20 133.39 1f6y s ILE 120 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1f6y s ILE 120 Cb -0.08 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1f6y s ILE 120 CO 0.00 0.26 -0.05 -0.83 0.00 0.00 0.00 174.94 174.31 1f6y s GLY 121 N 1.69 1.60 0.16 6.18 0.00 -0.61 0.82 107.32 117.17 1f6y s GLY 121 Ca 0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 1f6y s GLY 121 CO 0.08 0.35 1.20 1.08 0.00 0.00 0.00 173.10 175.82 1f6y s LEU 122 N 1.34 4.43 -1.55 0.66 1.43 0.34 -1.47 118.68 123.86 1f6y s LEU 122 Ca 0.04 2.20 -0.10 0.00 -1.03 0.00 0.00 54.13 55.24 1f6y s LEU 122 Cb -0.14 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 1f6y s LEU 122 CO -0.03 -0.40 2.80 0.35 0.23 0.00 0.00 176.35 179.31 1f6y n THR 123 N 2.79 4.05 -4.04 5.49 -2.24 -0.76 -3.20 114.28 116.37 1f6y n THR 123 Ca 0.05 -2.54 -0.10 0.00 -2.27 0.00 0.00 64.05 59.19 1f6y n THR 123 Cb 0.45 -2.58 -0.06 0.00 -2.10 0.00 0.00 70.33 66.04 1f6y n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6y s MET 124 N 2.43 1.48 0.50 -0.78 0.23 -1.26 -4.57 119.30 117.32 1f6y s MET 124 Ca 0.65 -1.33 0.01 0.00 -1.03 0.00 0.00 55.69 53.99 1f6y s MET 124 Cb 0.17 0.43 0.01 0.00 -1.53 0.00 0.00 34.83 33.91 1f6y s MET 124 CO -0.06 -0.59 0.09 0.27 -2.03 0.00 0.00 175.02 172.69 1f6y n ASN 125 N -0.36 3.21 0.01 -1.18 6.94 -1.26 -0.53 115.26 122.08 1f6y n ASN 125 Ca -0.01 -3.07 0.22 0.00 -0.02 0.00 0.00 54.58 51.70 1f6y n ASN 125 Cb 0.63 0.26 0.72 0.00 -2.36 0.00 0.00 39.78 39.03 1f6y n ASN 125 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1f6y h LYS 126 N 0.00 0.00 0.70 -3.83 2.10 -1.99 -2.95 116.57 110.59 1f6y h LYS 126 Ca -0.39 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.23 1f6y h LYS 126 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1f6y h LYS 126 CO 0.64 0.00 -0.43 1.79 -2.00 0.00 0.00 179.45 179.45 1f6y h THR 127 N 0.00 0.00 0.00 0.07 1.35 -2.05 -3.48 112.91 108.80 1f6y h THR 127 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1f6y h THR 127 Cb 1.16 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1f6y h THR 127 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1f6y n GLY 128 N -1.55 -0.55 3.64 5.82 0.00 -1.12 -5.12 105.19 106.32 1f6y n GLY 128 Ca -0.13 -0.97 -0.48 0.00 0.00 0.00 0.00 46.02 44.44 1f6y n GLY 128 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f6y n ILE 129 N -0.08 0.16 -1.92 -0.61 2.08 -1.26 -4.36 119.36 113.37 1f6y n ILE 129 Ca 0.00 -0.04 -0.33 0.00 0.56 0.00 0.00 62.75 62.94 1f6y n ILE 129 Cb 0.00 -1.31 0.03 0.00 -0.75 0.00 0.00 39.64 37.61 1f6y n ILE 129 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1f6y s PRO 130 N 0.57 3.09 -0.03 0.38 0.04 -1.26 -5.01 135.00 132.79 1f6y s PRO 130 Ca 0.79 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1f6y s PRO 130 Cb -0.76 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 1f6y s PRO 130 CO 0.42 -1.01 0.57 1.57 0.04 0.00 0.00 177.00 178.59 1f6y h LYS 131 N 0.26 -0.39 0.00 4.56 -0.00 -1.98 -3.48 116.57 115.54 1f6y h LYS 131 Ca -0.47 0.03 -0.15 0.00 -0.00 0.00 0.00 60.65 60.06 1f6y h LYS 131 Cb 1.23 0.09 0.02 0.00 -0.00 0.00 0.00 32.23 33.58 1f6y h LYS 131 CO 0.56 -0.26 0.03 -0.40 -0.00 0.00 0.00 179.45 179.38 1f6y n ASP 132 N -4.34 0.48 0.04 7.07 5.68 -1.26 -4.89 116.55 119.33 1f6y n ASP 132 Ca -0.05 -1.39 -0.03 0.00 -0.50 0.00 0.00 54.79 52.82 1f6y n ASP 132 Cb 0.16 -0.20 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 1f6y n ASP 132 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1f6y h SER 133 N -0.15 0.00 1.16 -1.12 4.64 -1.94 -3.27 113.55 112.87 1f6y h SER 133 Ca -0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 1f6y h SER 133 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1f6y h SER 133 CO 0.12 0.73 -0.38 0.44 -0.87 0.00 0.00 176.83 176.86 1f6y h ASP 134 N 0.00 0.00 0.38 4.97 3.32 -1.95 -1.28 116.42 121.86 1f6y h ASP 134 Ca -0.16 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.57 1f6y h ASP 134 Cb 1.70 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.27 1f6y h ASP 134 CO 0.07 0.38 -1.45 0.74 -1.72 0.00 0.00 179.24 177.26 1f6y h THR 135 N 0.00 1.30 -0.93 0.35 2.02 -1.97 -3.04 112.91 110.63 1f6y h THR 135 Ca -0.00 -2.80 0.03 0.00 0.77 0.00 0.00 66.41 64.41 1f6y h THR 135 Cb 1.07 2.96 -0.05 0.00 -1.74 0.00 0.00 68.15 70.39 1f6y h THR 135 CO 0.05 0.84 0.61 0.03 0.37 0.00 0.00 175.52 177.43 1f6y h ARG 136 N 0.12 1.16 -0.08 6.66 3.08 -1.59 -3.04 114.38 120.69 1f6y h ARG 136 Ca -0.23 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1f6y h ARG 136 Cb 2.09 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 1f6y h ARG 136 CO 0.24 0.77 0.04 -0.07 -1.07 0.00 0.00 179.97 179.87 1f6y h LEU 137 N 1.20 0.05 -0.28 3.04 3.38 -1.23 -0.87 115.31 120.60 1f6y h LEU 137 Ca 0.36 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.40 1f6y h LEU 137 Cb -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1f6y h LEU 137 CO -0.10 0.04 -0.18 0.00 0.09 0.00 0.00 178.44 178.29 1f6y h ALA 138 N 1.04 0.02 -0.54 1.53 0.00 -1.42 1.29 119.26 121.19 1f6y h ALA 138 Ca 0.03 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1f6y h ALA 138 Cb 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1f6y h ALA 138 CO -0.03 -0.58 0.38 0.74 0.00 0.00 0.00 179.25 179.76 1f6y h PHE 139 N -0.15 0.17 -0.21 0.00 0.04 -1.45 -0.99 116.94 114.35 1f6y h PHE 139 Ca 0.15 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 1f6y h PHE 139 Cb 0.38 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1f6y h PHE 139 CO -0.36 0.07 -0.37 0.00 -0.60 0.00 0.00 178.31 177.06 1f6y h ALA 140 N 1.73 0.33 -0.59 2.45 0.00 0.29 -1.60 119.26 121.87 1f6y h ALA 140 Ca 0.26 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1f6y h ALA 140 Cb 0.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1f6y h ALA 140 CO -0.04 0.40 0.01 1.98 0.00 0.00 0.00 179.25 181.61 1f6y h MET 141 N 0.31 1.02 -0.99 0.00 -1.53 0.32 -1.87 114.93 112.19 1f6y h MET 141 Ca 0.01 -0.31 0.11 0.00 -3.44 0.00 0.00 59.70 56.08 1f6y h MET 141 Cb 0.96 -0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 31.83 1f6y h MET 141 CO 0.08 0.99 0.62 0.93 0.14 0.00 0.00 176.91 179.68 1f6y h GLU 142 N 0.94 0.98 -0.42 0.39 5.08 -1.10 -0.66 114.58 119.79 1f6y h GLU 142 Ca 0.17 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1f6y h GLU 142 Cb 0.52 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1f6y h GLU 142 CO 0.03 0.65 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.54 1f6y h LEU 143 N 1.01 0.80 -0.53 1.33 -0.00 -0.84 -2.38 115.31 114.70 1f6y h LEU 143 Ca 0.48 -0.35 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 1f6y h LEU 143 Cb 0.43 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1f6y h LEU 143 CO -0.25 0.96 0.30 0.58 -0.00 0.00 0.00 178.44 180.02 1f6y h VAL 144 N 0.62 1.01 -0.17 1.22 2.07 -0.57 -1.94 116.25 118.49 1f6y h VAL 144 Ca 0.11 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1f6y h VAL 144 Cb 0.59 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1f6y h VAL 144 CO 0.04 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.78 1f6y h ALA 145 N 1.26 0.18 -0.88 1.67 0.00 -1.00 -2.58 119.26 117.90 1f6y h ALA 145 Ca 0.22 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1f6y h ALA 145 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1f6y h ALA 145 CO -0.13 -0.39 0.53 0.00 0.00 0.00 0.00 179.25 179.26 1f6y h ALA 146 N 1.12 1.29 -0.81 0.00 0.00 -1.17 0.19 119.26 119.88 1f6y h ALA 146 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1f6y h ALA 146 Cb 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1f6y h ALA 146 CO -0.09 0.62 0.50 0.00 0.00 0.00 0.00 179.25 180.27 1f6y h ALA 147 N 1.38 1.09 0.36 0.00 0.00 -0.98 0.16 119.26 121.27 1f6y h ALA 147 Ca 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1f6y h ALA 147 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1f6y h ALA 147 CO -0.06 0.24 -0.17 -0.44 0.00 0.00 0.00 179.25 178.82 1f6y h ASP 148 N 0.92 -0.41 -0.94 0.00 3.45 -1.01 0.60 116.42 119.02 1f6y h ASP 148 Ca 0.35 -0.05 0.14 0.00 0.43 0.00 0.00 57.03 57.90 1f6y h ASP 148 Cb 0.14 0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 38.92 1f6y h ASP 148 CO -0.16 -0.21 0.56 -0.08 -1.57 0.00 0.00 179.24 177.78 1f6y h GLU 149 N -0.59 0.80 -0.27 3.56 4.81 0.38 -1.24 114.58 122.03 1f6y h GLU 149 Ca -0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1f6y h GLU 149 Cb 0.44 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1f6y h GLU 149 CO 0.08 0.53 0.00 1.19 -0.73 0.00 0.00 179.01 180.08 1f6y n PHE 150 N -4.73 0.33 -1.69 0.92 3.01 0.46 -4.95 117.46 110.80 1f6y n PHE 150 Ca 0.19 -0.18 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1f6y n PHE 150 Cb 0.41 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.87 1f6y n PHE 150 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f6y n GLY 151 N 1.34 0.46 3.66 1.37 0.00 -0.46 -4.81 105.19 106.76 1f6y n GLY 151 Ca 0.17 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1f6y n GLY 151 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f6y s LEU 152 N -1.66 4.17 0.07 0.99 2.96 0.20 -4.98 118.68 120.42 1f6y s LEU 152 Ca 0.00 1.61 -0.36 0.00 -0.22 0.00 0.00 54.13 55.16 1f6y s LEU 152 Cb 0.00 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.00 1f6y s LEU 152 CO 0.00 -0.71 1.52 -2.65 -1.32 0.00 0.00 176.35 173.19 1f6y n PRO 153 N 6.34 1.63 -0.14 0.98 -0.02 -1.26 -4.36 135.00 138.17 1f6y n PRO 153 Ca 0.13 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.30 1f6y n PRO 153 Cb 0.45 -2.30 0.44 0.00 -0.02 0.00 0.00 33.50 32.07 1f6y n PRO 153 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1f6y h MET 154 N 5.75 0.53 0.00 -0.52 4.05 -1.91 0.52 114.93 123.35 1f6y h MET 154 Ca -0.47 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1f6y h MET 154 Cb 1.30 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1f6y h MET 154 CO 0.85 0.35 0.00 -0.85 0.23 0.00 0.00 176.91 177.50 1f6y n GLU 155 N -4.48 0.87 0.00 0.39 0.00 -1.26 -1.74 120.64 114.42 1f6y n GLU 155 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.37 1f6y n GLU 155 Cb 0.34 -1.35 -0.09 0.00 0.00 0.00 0.00 31.44 30.34 1f6y n GLU 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f6y n ASP 156 N -0.85 1.13 -4.63 -1.84 10.43 0.18 -4.77 116.55 116.21 1f6y n ASP 156 Ca 0.14 -1.07 -0.39 0.00 2.57 0.00 0.00 54.79 56.04 1f6y n ASP 156 Cb 0.07 0.91 -0.08 0.00 1.84 0.00 0.00 41.12 43.85 1f6y n ASP 156 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1f6y s LEU 157 N -2.85 4.08 -0.35 0.64 2.96 -0.71 0.12 118.68 122.56 1f6y s LEU 157 Ca 0.09 0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1f6y s LEU 157 Cb 0.16 -2.57 0.05 0.00 0.50 0.00 0.00 46.19 44.32 1f6y s LEU 157 CO 0.78 -0.21 0.12 -0.31 -1.32 0.00 0.00 176.35 175.41 1f6y s TYR 158 N 2.00 3.29 -0.13 5.38 1.51 0.13 -1.02 117.35 128.50 1f6y s TYR 158 Ca 0.19 -1.53 -0.18 0.00 -1.01 0.00 0.00 57.07 54.55 1f6y s TYR 158 Cb -0.15 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 1f6y s TYR 158 CO 0.09 -0.76 0.46 0.42 -1.11 0.00 0.00 175.55 174.65 1f6y s ILE 159 N 1.38 5.20 -0.33 2.71 1.01 -0.32 -1.58 121.20 129.27 1f6y s ILE 159 Ca -0.01 0.91 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 1f6y s ILE 159 Cb -0.20 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1f6y s ILE 159 CO 0.02 0.32 0.09 -0.62 0.00 0.00 0.00 174.94 174.75 1f6y s ASP 160 N 0.65 5.24 0.00 3.58 -1.08 -0.54 -1.73 116.67 122.78 1f6y s ASP 160 Ca 0.25 -1.11 0.29 0.00 -0.52 0.00 0.00 52.55 51.46 1f6y s ASP 160 Cb -0.15 -1.85 1.68 0.00 -1.46 0.00 0.00 42.92 41.14 1f6y s ASP 160 CO 0.10 -0.31 2.06 -0.81 0.52 0.00 0.00 175.17 176.73 1f6y n PRO 161 N 4.80 0.81 -2.30 4.34 -0.04 -1.26 -1.83 135.00 139.51 1f6y n PRO 161 Ca -0.13 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1f6y n PRO 161 Cb 0.45 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1f6y n PRO 161 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1f6y n LEU 162 N -1.06 -5.94 -4.84 1.53 4.77 -1.26 -4.86 117.00 105.33 1f6y n LEU 162 Ca 0.20 0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 56.82 1f6y n LEU 162 Cb 0.13 -2.56 -0.06 0.00 -2.33 0.00 0.00 43.42 38.60 1f6y n LEU 162 CO 0.18 -2.17 0.27 -0.51 -1.33 0.00 0.00 177.39 173.82 1f6y s ILE 163 N -1.05 4.81 0.31 -0.08 1.10 -1.26 -4.93 121.20 120.10 1f6y s ILE 163 Ca -0.01 0.88 0.11 0.00 -0.51 0.00 0.00 60.65 61.12 1f6y s ILE 163 Cb 0.00 -3.74 -0.06 0.00 0.15 0.00 0.00 42.46 38.81 1f6y s ILE 163 CO 0.52 0.20 -0.13 -0.76 -2.11 0.00 0.00 174.94 172.66 1f6y s LEU 164 N -2.05 2.70 0.48 8.50 1.43 -1.26 -4.62 118.68 123.86 1f6y s LEU 164 Ca 0.40 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 1f6y s LEU 164 Cb -0.15 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.87 1f6y s LEU 164 CO 0.19 -0.09 0.80 -2.65 0.23 0.00 0.00 176.35 174.84 1f6y n PRO 165 N -0.73 0.93 0.10 1.29 -0.02 -0.70 -4.34 135.00 131.54 1f6y n PRO 165 Ca -0.05 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1f6y n PRO 165 Cb 0.62 -1.87 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1f6y n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f6y h ALA 166 N 0.95 0.51 0.00 3.55 0.00 -1.74 -0.26 119.26 122.26 1f6y h ALA 166 Ca -0.44 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1f6y h ALA 166 Cb 1.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1f6y h ALA 166 CO 0.53 0.04 -0.83 -2.95 0.00 0.00 0.00 179.25 176.04 1f6y h ASN 167 N 0.00 0.00 0.00 0.00 -1.07 -1.91 -3.18 115.58 109.42 1f6y h ASN 167 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1f6y h ASN 167 Cb 1.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 1f6y h ASN 167 CO 0.00 0.83 -0.48 1.33 0.07 0.00 0.00 177.43 179.19 1f6y n VAL 168 N -3.37 0.00 -2.72 6.14 0.24 -1.25 -4.74 118.33 112.63 1f6y n VAL 168 Ca 0.00 -0.32 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 1f6y n VAL 168 Cb 0.85 0.86 0.04 0.00 -1.47 0.00 0.00 33.84 34.12 1f6y n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1f6y n ALA 169 N -1.25 3.04 -0.28 2.33 0.00 -0.11 -4.95 120.51 119.28 1f6y n ALA 169 Ca 0.01 -2.97 0.02 0.00 0.00 0.00 0.00 53.44 50.50 1f6y n ALA 169 Cb 0.10 -0.84 0.15 0.00 0.00 0.00 0.00 19.45 18.86 1f6y n ALA 169 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1f6y h GLN 170 N 2.66 0.77 0.00 0.00 4.15 -1.68 -1.20 115.11 119.81 1f6y h GLN 170 Ca -0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1f6y h GLN 170 Cb 1.26 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1f6y h GLN 170 CO 0.32 0.51 0.00 0.38 -1.93 0.00 0.00 178.83 178.11 1f6y h ASP 171 N 0.79 0.00 1.18 -0.69 2.03 -1.92 -1.69 116.42 116.13 1f6y h ASP 171 Ca 0.38 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.58 1f6y h ASP 171 Cb 0.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 1f6y h ASP 171 CO -0.23 0.00 -0.48 0.45 -1.03 0.00 0.00 179.24 177.95 1f6y h HIS 172 N 0.00 0.00 0.10 4.15 3.86 -1.56 -3.34 115.15 118.36 1f6y h HIS 172 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f6y h HIS 172 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1f6y h HIS 172 CO 0.00 0.48 -0.05 0.00 0.86 0.00 0.00 177.93 179.23 1f6y h ALA 173 N 1.52 -0.13 0.00 2.45 0.00 -1.43 -0.25 119.26 121.41 1f6y h ALA 173 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1f6y h ALA 173 Cb 1.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1f6y h ALA 173 CO 0.06 -0.46 -0.12 -1.00 0.00 0.00 0.00 179.25 177.73 1f6y h PRO 174 N -0.36 0.00 -0.41 0.00 0.13 -1.76 -2.36 132.00 127.24 1f6y h PRO 174 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1f6y h PRO 174 Cb 0.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 1f6y h PRO 174 CO 0.02 0.12 0.19 0.93 -0.23 0.00 0.00 178.00 179.04 1f6y h GLU 175 N 0.00 0.60 -0.17 0.86 4.39 -1.40 -1.47 114.58 117.40 1f6y h GLU 175 Ca -0.00 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1f6y h GLU 175 Cb 0.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1f6y h GLU 175 CO 0.02 0.53 -0.18 0.28 -1.16 0.00 0.00 179.01 178.50 1f6y h VAL 176 N 0.53 1.21 -0.37 3.13 2.07 -0.67 -1.65 116.25 120.49 1f6y h VAL 176 Ca 0.14 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1f6y h VAL 176 Cb 0.14 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1f6y h VAL 176 CO -0.02 0.30 -0.19 -0.07 0.02 0.00 0.00 177.57 177.61 1f6y h LEU 177 N 0.26 0.71 -0.06 2.57 3.38 -1.02 -1.16 115.31 119.99 1f6y h LEU 177 Ca 0.05 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1f6y h LEU 177 Cb 0.48 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1f6y h LEU 177 CO 0.03 0.90 -0.56 0.11 0.09 0.00 0.00 178.44 179.00 1f6y h LYS 178 N 0.63 0.49 -0.85 1.13 1.57 -1.02 -2.91 116.57 115.61 1f6y h LYS 178 Ca 0.10 -0.45 0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1f6y h LYS 178 Cb 0.67 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 1f6y h LYS 178 CO 0.05 1.08 0.50 1.15 -0.57 0.00 0.00 179.45 181.66 1f6y h THR 179 N 0.06 0.93 -0.50 -0.16 2.02 -1.20 0.63 112.91 114.70 1f6y h THR 179 Ca -0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1f6y h THR 179 Cb 1.23 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1f6y h THR 179 CO 0.11 0.15 0.32 -0.07 0.37 0.00 0.00 175.52 176.41 1f6y h LEU 180 N 0.84 0.58 0.07 2.58 3.38 -1.23 -0.17 115.31 121.37 1f6y h LEU 180 Ca 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1f6y h LEU 180 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1f6y h LEU 180 CO -0.24 0.44 -0.03 1.56 0.09 0.00 0.00 178.44 180.26 1f6y h GLN 181 N 0.67 -0.09 -0.90 1.13 4.20 -1.07 -3.10 115.11 115.94 1f6y h GLN 181 Ca 0.18 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1f6y h GLN 181 Cb -0.05 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1f6y h GLN 181 CO -0.04 0.12 0.50 1.96 -0.67 0.00 0.00 178.83 180.70 1f6y h GLN 182 N -0.30 1.26 -0.82 1.46 4.20 -0.84 -3.01 115.11 117.06 1f6y h GLN 182 Ca -0.01 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 58.65 1f6y h GLN 182 Cb 0.26 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1f6y h GLN 182 CO 0.02 0.92 0.54 0.82 -0.67 0.00 0.00 178.83 180.45 1f6y h ILE 183 N 1.26 0.94 0.00 2.54 2.04 -0.95 1.44 117.51 124.79 1f6y h ILE 183 Ca 0.32 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1f6y h ILE 183 Cb 0.02 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1f6y h ILE 183 CO -0.05 0.14 -0.02 0.11 0.00 0.00 0.00 178.15 178.32 1f6y h LYS 184 N 0.76 0.00 -0.26 2.37 1.57 -1.54 -1.98 116.57 117.50 1f6y h LYS 184 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1f6y h LYS 184 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1f6y h LYS 184 CO -0.15 0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 177.42 1f6y n MET 185 N -3.29 1.69 0.01 3.15 2.81 0.49 -4.17 117.12 117.81 1f6y n MET 185 Ca -0.02 -1.06 0.02 0.00 -1.81 0.00 0.00 57.70 54.83 1f6y n MET 185 Cb 0.15 -1.29 -0.11 0.00 -0.71 0.00 0.00 33.22 31.26 1f6y n MET 185 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1f6y n LEU 186 N 0.33 0.50 -3.83 4.03 4.77 -0.74 -5.02 117.00 117.04 1f6y n LEU 186 Ca 0.12 0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1f6y n LEU 186 Cb 0.27 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1f6y n LEU 186 CO 0.09 0.14 0.53 0.00 -1.33 0.00 0.00 177.39 176.82 1f6y s ALA 187 N -3.03 -1.06 -0.26 -1.18 0.00 -1.26 -5.08 121.76 109.90 1f6y s ALA 187 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1f6y s ALA 187 Cb 0.09 0.76 0.14 0.00 0.00 0.00 0.00 23.12 24.11 1f6y s ALA 187 CO 0.83 -1.02 0.37 0.34 0.00 0.00 0.00 175.76 176.28 1f6y s ASP 188 N -3.01 0.54 0.46 0.00 3.68 -1.26 -3.49 116.67 113.59 1f6y s ASP 188 Ca 0.13 -0.12 -0.16 0.00 2.13 0.00 0.00 52.55 54.54 1f6y s ASP 188 Cb -0.05 0.99 -0.08 0.00 -1.45 0.00 0.00 42.92 42.33 1f6y s ASP 188 CO 0.09 -0.33 0.92 -2.16 0.13 0.00 0.00 175.17 173.81 1f6y s PRO 189 N 2.51 3.97 0.68 4.34 0.04 -1.26 -5.16 135.00 140.12 1f6y s PRO 189 Ca 0.11 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1f6y s PRO 189 Cb -0.14 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1f6y s PRO 189 CO -0.22 -0.14 1.07 0.00 0.04 0.00 0.00 177.00 177.74 1f6y s ALA 190 N -2.44 2.97 0.91 8.56 0.00 -1.23 -4.94 121.76 125.59 1f6y s ALA 190 Ca 0.58 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1f6y s ALA 190 Cb -0.10 -3.03 0.14 0.00 0.00 0.00 0.00 23.12 20.13 1f6y s ALA 190 CO 0.27 -0.99 1.15 -1.25 0.00 0.00 0.00 175.76 174.94 1f6y s PRO 191 N -5.29 1.18 0.60 0.00 0.04 -1.26 -4.46 135.00 125.81 1f6y s PRO 191 Ca 0.57 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 1f6y s PRO 191 Cb -0.11 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1f6y s PRO 191 CO 0.52 -2.16 0.87 0.15 0.04 0.00 0.00 177.00 176.43 1f6y s LYS 192 N -5.37 2.53 0.17 4.56 -0.14 -0.19 -4.91 119.74 116.39 1f6y s LYS 192 Ca 0.64 -0.43 0.08 0.00 -1.36 0.00 0.00 55.97 54.90 1f6y s LYS 192 Cb -0.13 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1f6y s LYS 192 CO 0.53 -0.86 -0.18 0.95 -0.76 0.00 0.00 175.35 175.03 1f6y s THR 193 N -2.95 1.78 0.02 2.17 -4.23 -1.26 -1.18 115.64 109.98 1f6y s THR 193 Ca 0.57 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1f6y s THR 193 Cb -0.10 -1.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 1f6y s THR 193 CO 0.42 -0.35 0.14 0.54 -0.54 0.00 0.00 174.62 174.83 1f6y s VAL 194 N -2.14 0.10 -0.02 2.29 0.11 -0.71 -1.59 120.40 118.44 1f6y s VAL 194 Ca 0.16 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1f6y s VAL 194 Cb -0.05 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1f6y s VAL 194 CO 0.06 -0.46 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.51 1f6y s LEU 195 N -1.73 1.93 -1.24 2.54 1.43 -1.06 -4.08 118.68 116.48 1f6y s LEU 195 Ca -0.10 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1f6y s LEU 195 Cb -0.05 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 1f6y s LEU 195 CO -0.01 0.10 2.02 0.61 0.23 0.00 0.00 176.35 179.30 1f6y n GLY 196 N 3.01 3.24 0.34 -3.19 0.00 -1.26 -0.56 105.19 106.78 1f6y n GLY 196 Ca -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 1f6y n GLY 196 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6y h LEU 197 N 12.24 -1.16 -2.32 0.99 6.46 -1.78 -1.27 115.31 128.47 1f6y h LEU 197 Ca 0.47 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 58.47 1f6y h LEU 197 Cb 0.73 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1f6y h LEU 197 CO 1.74 -0.30 0.02 0.28 -0.62 0.00 0.00 178.44 179.57 1f6y h SER 198 N -0.14 0.00 0.53 1.25 0.02 -1.90 -1.04 113.55 112.28 1f6y h SER 198 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1f6y h SER 198 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1f6y h SER 198 CO -0.71 0.00 0.00 0.78 -1.14 0.00 0.00 176.83 175.76 1f6y h ASN 199 N 0.00 0.00 0.88 3.07 2.35 -1.54 -2.83 115.58 117.50 1f6y h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f6y h ASN 199 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1f6y h ASN 199 CO 0.00 0.00 0.00 0.55 -1.65 0.00 0.00 177.43 176.33 1f6y n VAL 200 N -2.72 0.76 -1.20 2.81 3.14 -0.39 -1.71 118.33 119.02 1f6y n VAL 200 Ca -0.00 0.11 0.05 0.00 -2.96 0.00 0.00 64.34 61.54 1f6y n VAL 200 Cb 0.18 -1.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.04 1f6y n VAL 200 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1f6y n SER 201 N -2.16 1.45 -0.32 6.55 3.41 -1.07 -2.35 113.62 119.14 1f6y n SER 201 Ca 0.03 -2.48 0.04 0.00 -0.26 0.00 0.00 58.87 56.20 1f6y n SER 201 Cb 0.27 -0.28 0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1f6y n SER 201 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1f6y n GLN 202 N -0.80 -0.10 -2.56 4.33 0.00 -1.23 -0.88 117.38 116.14 1f6y n GLN 202 Ca 0.08 1.35 -0.12 0.00 -0.00 0.00 0.00 57.00 58.32 1f6y n GLN 202 Cb 0.60 -2.02 0.03 0.00 0.00 0.00 0.00 30.24 28.85 1f6y n GLN 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1f6y n ASN 203 N -5.39 2.73 -4.83 1.69 4.13 -1.26 -5.09 115.26 107.23 1f6y n ASN 203 Ca 0.13 -2.83 -0.21 0.00 1.68 0.00 0.00 54.58 53.35 1f6y n ASN 203 Cb 0.42 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 38.16 1f6y n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f6y s GLN 205 N -3.93 4.46 -1.05 0.00 0.74 -1.26 -3.99 119.66 114.62 1f6y s GLN 205 Ca 0.38 1.74 -0.15 0.00 0.05 0.00 0.00 55.36 57.37 1f6y s GLN 205 Cb -0.06 -2.97 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 1f6y s GLN 205 CO 0.26 0.07 0.78 -1.71 -0.55 0.00 0.00 175.29 174.13 1f6y n ASN 206 N 0.75 -5.72 -0.10 6.67 2.85 -1.26 -4.83 115.26 113.62 1f6y n ASN 206 Ca 0.01 -0.88 -0.06 0.00 -0.11 0.00 0.00 54.58 53.55 1f6y n ASN 206 Cb 0.46 -3.63 0.01 0.00 1.24 0.00 0.00 39.78 37.86 1f6y n ASN 206 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1f6y h ARG 207 N -1.40 0.04 -0.60 1.20 3.08 -1.87 -2.69 114.38 112.14 1f6y h ARG 207 Ca -0.58 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.59 1f6y h ARG 207 Cb 1.32 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.26 1f6y h ARG 207 CO 0.45 0.03 0.03 -1.35 -1.07 0.00 0.00 179.97 178.05 1f6y h PRO 208 N 0.05 0.14 -0.46 0.04 0.11 -1.95 0.12 132.00 130.04 1f6y h PRO 208 Ca 0.17 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.33 1f6y h PRO 208 Cb 0.25 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 1f6y h PRO 208 CO -0.32 0.09 0.17 1.25 -0.21 0.00 0.00 178.00 178.98 1f6y h LEU 209 N 0.14 0.18 -0.01 2.35 5.85 -1.85 -1.44 115.31 120.54 1f6y h LEU 209 Ca 0.31 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1f6y h LEU 209 Cb 0.50 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1f6y h LEU 209 CO -0.49 0.14 0.00 0.40 -0.34 0.00 0.00 178.44 178.15 1f6y h ILE 210 N 0.34 1.14 -0.49 4.05 2.04 -1.16 -1.04 117.51 122.39 1f6y h ILE 210 Ca 0.22 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.76 1f6y h ILE 210 Cb 0.21 1.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 1f6y h ILE 210 CO -0.22 0.11 -0.19 0.78 0.00 0.00 0.00 178.15 178.63 1f6y h ASN 211 N -0.16 -0.66 0.97 1.72 -0.26 -0.49 -1.90 115.58 114.80 1f6y h ASN 211 Ca 0.00 0.17 -0.19 0.00 -0.56 0.00 0.00 56.30 55.72 1f6y h ASN 211 Cb 0.17 0.38 -0.03 0.00 -1.06 0.00 0.00 38.32 37.78 1f6y h ASN 211 CO -0.00 -0.22 -1.09 0.08 -1.06 0.00 0.00 177.43 175.14 1f6y h ARG 212 N -0.08 0.00 -0.20 0.81 0.11 -1.17 -1.88 114.38 111.97 1f6y h ARG 212 Ca 0.23 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.34 1f6y h ARG 212 Cb 0.44 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.49 1f6y h ARG 212 CO -0.54 0.63 0.03 1.15 0.10 0.00 0.00 179.97 181.34 1f6y h THR 213 N 0.00 0.91 -0.41 0.08 2.02 -1.00 -2.60 112.91 111.90 1f6y h THR 213 Ca -0.09 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1f6y h THR 213 Cb 1.68 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1f6y h THR 213 CO 0.09 0.02 -0.03 0.15 0.37 0.00 0.00 175.52 176.12 1f6y h PHE 214 N 0.11 0.71 -0.06 3.16 3.57 -1.22 -2.42 116.94 120.79 1f6y h PHE 214 Ca 0.09 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1f6y h PHE 214 Cb 0.09 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1f6y h PHE 214 CO -0.14 0.69 -0.15 1.25 -2.23 0.00 0.00 178.31 177.72 1f6y h LEU 215 N 0.63 -0.46 -0.01 0.59 6.46 -1.18 0.50 115.31 121.84 1f6y h LEU 215 Ca 0.12 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1f6y h LEU 215 Cb 0.44 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1f6y h LEU 215 CO 0.02 -0.21 -0.06 0.00 -0.62 0.00 0.00 178.44 177.58 1f6y h ALA 216 N 0.76 -0.05 -0.19 1.25 0.00 -1.25 0.18 119.26 119.96 1f6y h ALA 216 Ca 0.07 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1f6y h ALA 216 Cb 0.32 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1f6y h ALA 216 CO -0.19 -0.55 -0.19 0.52 0.00 0.00 0.00 179.25 178.84 1f6y h MET 217 N -0.10 -0.21 -0.35 0.00 2.86 -1.23 -1.26 114.93 114.65 1f6y h MET 217 Ca 0.03 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1f6y h MET 217 Cb 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1f6y h MET 217 CO -0.07 -0.14 0.02 0.00 1.06 0.00 0.00 176.91 177.79 1f6y h ALA 218 N 0.85 1.40 -0.20 6.32 0.00 0.45 -2.25 119.26 125.82 1f6y h ALA 218 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1f6y h ALA 218 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1f6y h ALA 218 CO -0.32 0.43 -0.31 0.52 0.00 0.00 0.00 179.25 179.57 1f6y h MET 219 N 0.51 0.41 0.00 0.00 2.86 -0.07 0.74 114.93 119.37 1f6y h MET 219 Ca 0.11 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1f6y h MET 219 Cb 0.30 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1f6y h MET 219 CO 0.01 0.67 0.00 0.00 1.06 0.00 0.00 176.91 178.65 1f6y h ALA 220 N 1.32 1.00 -0.49 6.32 0.00 -0.66 -1.37 119.26 125.38 1f6y h ALA 220 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1f6y h ALA 220 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1f6y h ALA 220 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1f6y n GLY 222 N 0.54 0.69 3.68 0.00 0.00 -0.52 -3.52 105.19 106.07 1f6y n GLY 222 Ca 0.23 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.70 1f6y n GLY 222 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f6y n LEU 223 N 0.00 2.35 -0.06 0.99 -0.00 -0.55 -4.68 117.00 115.06 1f6y n LEU 223 Ca 0.00 1.07 -0.11 0.00 -0.00 0.00 0.00 56.01 56.98 1f6y n LEU 223 Cb 0.00 -1.18 -0.15 0.00 -0.00 0.00 0.00 43.42 42.09 1f6y n LEU 223 CO 0.00 -0.53 -0.85 0.23 -0.00 0.00 0.00 177.39 176.24 1f6y n MET 224 N 4.82 0.67 -3.81 1.96 2.81 -1.02 -4.67 117.12 117.86 1f6y n MET 224 Ca 0.24 0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 56.20 1f6y n MET 224 Cb 0.16 -1.66 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 1f6y n MET 224 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1f6y s SER 225 N -5.94 -0.14 -0.18 7.83 1.04 -0.62 -1.23 113.70 114.46 1f6y s SER 225 Ca -0.10 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 1f6y s SER 225 Cb 0.07 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1f6y s SER 225 CO 0.81 -0.97 0.44 0.00 0.98 0.00 0.00 173.24 174.49 1f6y s ALA 226 N -3.90 -1.12 -0.38 5.32 0.00 -0.43 -2.55 121.76 118.70 1f6y s ALA 226 Ca 0.11 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 1f6y s ALA 226 Cb 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1f6y s ALA 226 CO -0.03 -0.27 1.08 0.42 0.00 0.00 0.00 175.76 176.96 1f6y s ILE 227 N 1.24 4.42 0.00 0.00 1.01 0.28 0.32 121.20 128.47 1f6y s ILE 227 Ca -0.08 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1f6y s ILE 227 Cb -0.07 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1f6y s ILE 227 CO -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 174.94 174.17 1f6y n ALA 228 N 7.17 0.00 -2.74 9.38 0.00 0.14 -2.07 120.51 132.39 1f6y n ALA 228 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1f6y n ALA 228 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1f6y n ALA 228 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f6y s ASP 229 N -0.97 6.51 0.28 0.00 -1.08 -1.26 -1.07 116.67 119.08 1f6y s ASP 229 Ca 0.00 -1.61 0.22 0.00 -0.52 0.00 0.00 52.55 50.65 1f6y s ASP 229 Cb 0.00 -2.48 1.03 0.00 -1.46 0.00 0.00 42.92 40.01 1f6y s ASP 229 CO 0.00 -1.33 1.68 0.00 0.52 0.00 0.00 175.17 176.04 1f6y n ALA 230 N 7.82 1.43 1.34 3.66 0.00 -1.26 -0.74 120.51 132.76 1f6y n ALA 230 Ca 0.24 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.93 1f6y n ALA 230 Cb 0.50 -1.35 0.44 0.00 0.00 0.00 0.00 19.45 19.03 1f6y n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6y s ASP 232 N -1.78 6.40 0.47 0.00 3.68 0.08 -4.91 116.67 120.62 1f6y s ASP 232 Ca 0.35 -1.58 0.17 0.00 2.13 0.00 0.00 52.55 53.62 1f6y s ASP 232 Cb 0.19 -2.39 1.12 0.00 -1.45 0.00 0.00 42.92 40.39 1f6y s ASP 232 CO 0.30 -1.21 2.03 -0.33 0.13 0.00 0.00 175.17 176.09 1f6y h GLU 233 N 9.14 0.00 -0.32 4.34 5.08 -1.85 -0.29 114.58 130.68 1f6y h GLU 233 Ca -0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1f6y h GLU 233 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1f6y h GLU 233 CO 1.13 0.14 -0.38 0.00 -1.00 0.00 0.00 179.01 178.91 1f6y h ALA 234 N 1.86 0.48 -0.14 3.43 0.00 -1.96 -0.38 119.26 122.55 1f6y h ALA 234 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.49 1f6y h ALA 234 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1f6y h ALA 234 CO 0.02 0.58 -0.07 1.25 0.00 0.00 0.00 179.25 181.03 1f6y h LEU 235 N 0.61 -0.22 -0.79 0.00 5.85 -1.44 -0.69 115.31 118.63 1f6y h LEU 235 Ca 0.04 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1f6y h LEU 235 Cb 0.97 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1f6y h LEU 235 CO 0.09 -0.09 0.51 0.40 -0.34 0.00 0.00 178.44 179.01 1f6y h ILE 236 N -0.05 1.15 -0.39 4.05 1.08 -1.19 -0.57 117.51 121.59 1f6y h ILE 236 Ca 0.08 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.26 1f6y h ILE 236 Cb 0.17 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.92 1f6y h ILE 236 CO -0.18 0.18 0.09 -0.33 -0.69 0.00 0.00 178.15 177.22 1f6y h GLU 237 N 1.01 0.21 -0.37 2.37 5.08 -0.65 -0.70 114.58 121.53 1f6y h GLU 237 Ca 0.31 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1f6y h GLU 237 Cb -0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1f6y h GLU 237 CO -0.10 0.14 0.21 1.15 -1.00 0.00 0.00 179.01 179.41 1f6y h THR 238 N 0.22 1.14 0.11 1.13 2.02 -0.54 0.52 112.91 117.52 1f6y h THR 238 Ca 0.19 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1f6y h THR 238 Cb 0.21 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1f6y h THR 238 CO -0.24 0.15 -0.33 0.00 0.37 0.00 0.00 175.52 175.47 1f6y h ALA 239 N 1.07 -0.56 -0.55 6.16 0.00 -0.77 0.12 119.26 124.73 1f6y h ALA 239 Ca 0.13 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1f6y h ALA 239 Cb 0.05 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1f6y h ALA 239 CO -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.36 1f6y h ALA 240 N 0.09 0.53 -0.45 0.00 0.00 -0.91 -2.31 119.26 116.22 1f6y h ALA 240 Ca 0.03 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1f6y h ALA 240 Cb 0.59 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1f6y h ALA 240 CO -0.20 -0.38 -0.27 1.15 0.00 0.00 0.00 179.25 179.55 1f6y h THR 241 N 0.12 1.27 -0.04 0.00 2.02 -0.42 -3.05 112.91 112.80 1f6y h THR 241 Ca 0.28 -1.44 -0.14 0.00 0.77 0.00 0.00 66.41 65.88 1f6y h THR 241 Cb 0.44 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1f6y h THR 241 CO -0.46 0.49 -0.62 0.00 0.37 0.00 0.00 175.52 175.30 1f6y h ALA 242 N 0.83 0.89 -0.14 6.16 0.00 -0.49 -2.09 119.26 124.41 1f6y h ALA 242 Ca 0.09 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1f6y h ALA 242 Cb 0.85 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1f6y h ALA 242 CO 0.08 0.75 -0.10 0.93 0.00 0.00 0.00 179.25 180.90 1f6y h GLU 243 N 0.11 -0.10 -0.33 0.00 5.08 -1.37 -1.87 114.58 116.11 1f6y h GLU 243 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1f6y h GLU 243 Cb 1.11 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1f6y h GLU 243 CO 0.09 -0.06 0.04 0.82 -1.00 0.00 0.00 179.01 178.89 1f6y h ILE 244 N -0.10 0.80 0.00 3.13 1.08 -1.39 -0.92 117.51 120.11 1f6y h ILE 244 Ca 0.09 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1f6y h ILE 244 Cb 0.23 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1f6y h ILE 244 CO -0.21 0.03 0.00 -0.07 -0.69 0.00 0.00 178.15 177.21 1f6y h LEU 245 N 0.15 0.00 -2.06 1.44 -0.00 -1.01 0.19 115.31 114.02 1f6y h LEU 245 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1f6y h LEU 245 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1f6y h LEU 245 CO -0.23 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.39 1f6y n LEU 246 N -3.02 3.13 -1.97 1.67 4.77 -0.74 -4.94 117.00 115.90 1f6y n LEU 246 Ca -0.01 -1.21 -0.19 0.00 -0.03 0.00 0.00 56.01 54.57 1f6y n LEU 246 Cb 0.18 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1f6y n LEU 246 CO 0.23 0.61 -0.22 -3.20 -1.33 0.00 0.00 177.39 173.47 1f6y n ASN 247 N 1.34 -5.35 0.05 -1.43 5.15 0.68 -4.88 115.26 110.83 1f6y n ASN 247 Ca 0.17 0.09 -0.09 0.00 -0.60 0.00 0.00 54.58 54.14 1f6y n ASN 247 Cb 0.59 -4.42 -0.13 0.00 -0.53 0.00 0.00 39.78 35.29 1f6y n ASN 247 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1f6y h GLN 248 N 0.00 0.05 -4.88 1.20 4.20 -1.39 -3.45 115.11 110.84 1f6y h GLN 248 Ca -0.43 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 57.61 1f6y h GLN 248 Cb 1.30 0.03 -0.33 0.00 0.30 0.00 0.00 27.48 28.78 1f6y h GLN 248 CO 0.53 0.92 -0.84 0.99 -0.67 0.00 0.00 178.83 179.76 1f6y s THR 249 N -2.67 1.48 0.18 -0.54 2.01 -1.21 -5.00 115.64 109.89 1f6y s THR 249 Ca -0.02 -0.68 -0.33 0.00 0.31 0.00 0.00 61.69 60.97 1f6y s THR 249 Cb 0.09 -1.31 -0.13 0.00 0.01 0.00 0.00 72.50 71.16 1f6y s THR 249 CO 0.83 0.43 1.66 0.52 -0.69 0.00 0.00 174.62 177.37 1f6y n VAL 250 N 3.66 0.03 -1.72 3.82 0.31 -1.26 -4.37 118.33 118.80 1f6y n VAL 250 Ca -0.21 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.74 1f6y n VAL 250 Cb 0.52 -1.77 0.06 0.00 -0.91 0.00 0.00 33.84 31.74 1f6y n VAL 250 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f6y n TYR 251 N 3.82 1.87 -3.55 3.52 9.36 -1.26 -5.03 117.16 125.89 1f6y n TYR 251 Ca 0.17 0.43 -0.12 0.00 3.32 0.00 0.00 57.90 61.70 1f6y n TYR 251 Cb 0.32 -2.28 -0.05 0.00 -0.63 0.00 0.00 39.34 36.71 1f6y n TYR 251 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1f6y h ASP 253 N 2.56 -1.80 -0.72 0.00 3.32 -2.06 -0.73 116.42 116.99 1f6y h ASP 253 Ca -0.21 0.25 -0.54 0.00 0.02 0.00 0.00 57.03 56.54 1f6y h ASP 253 Cb 1.17 0.75 -0.11 0.00 0.22 0.00 0.00 39.33 41.37 1f6y h ASP 253 CO 0.33 -0.33 1.43 -1.54 -1.72 0.00 0.00 179.24 177.41 1f6y n SER 254 N -5.13 7.10 0.17 6.45 3.41 -1.26 -4.62 113.62 119.74 1f6y n SER 254 Ca -0.02 -2.95 0.02 0.00 -0.26 0.00 0.00 58.87 55.66 1f6y n SER 254 Cb 0.29 -1.36 0.35 0.00 -0.26 0.00 0.00 64.21 63.24 1f6y n SER 254 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1f6y h PHE 255 N 3.82 0.08 -0.10 7.33 -5.15 -1.54 -0.69 116.94 120.69 1f6y h PHE 255 Ca 0.53 -0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 58.28 1f6y h PHE 255 Cb 0.67 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.82 1f6y h PHE 255 CO 1.64 0.39 0.03 0.28 -2.00 0.00 0.00 178.31 178.65 1f6y h VAL 256 N 0.06 1.18 -0.52 0.88 2.07 -1.86 -1.40 116.25 116.67 1f6y h VAL 256 Ca 0.01 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1f6y h VAL 256 Cb 0.61 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1f6y h VAL 256 CO 0.04 0.16 0.19 0.11 0.02 0.00 0.00 177.57 178.09 1f6y h LYS 257 N -0.04 0.36 -0.84 1.57 1.57 -1.80 -2.55 116.57 114.83 1f6y h LYS 257 Ca 0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1f6y h LYS 257 Cb 0.22 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1f6y h LYS 257 CO -0.00 0.24 0.40 1.98 -0.57 0.00 0.00 179.45 181.50 1f6y h MET 258 N 0.37 1.22 -0.02 3.15 4.05 -0.97 -0.58 114.93 122.15 1f6y h MET 258 Ca 0.25 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1f6y h MET 258 Cb 0.28 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1f6y h MET 258 CO -0.26 0.94 -0.19 0.35 0.23 0.00 0.00 176.91 177.99 1f6y h PHE 259 N 1.21 0.03 0.02 1.39 3.57 -0.97 -0.39 116.94 121.80 1f6y h PHE 259 Ca 0.29 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.56 1f6y h PHE 259 Cb 0.13 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1f6y h PHE 259 CO 0.02 0.22 -1.10 0.87 -2.23 0.00 0.00 178.31 176.09 1f6y h LYS 260 N 0.03 0.05 0.00 1.11 1.57 -0.82 -3.39 116.57 115.12 1f6y h LYS 260 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1f6y h LYS 260 Cb 0.36 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1f6y h LYS 260 CO 0.03 1.00 -1.02 0.25 -0.57 0.00 0.00 179.45 179.14 1f6y n THR 261 N -3.36 0.00 0.00 -0.16 -2.24 -0.35 -4.65 114.28 103.52 1f6y n THR 261 Ca -0.03 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1f6y n THR 261 Cb 0.96 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1f6y n THR 261 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39