#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf s ASP 2 N 0.00 6.05 -0.41 7.83 -1.08 -1.26 -4.90 116.67 122.90 1faf s ASP 2 Ca 0.00 2.18 0.07 0.00 -0.52 0.00 0.00 52.55 54.28 1faf s ASP 2 Cb 0.00 -2.52 0.22 0.00 -1.46 0.00 0.00 42.92 39.16 1faf s ASP 2 CO 0.00 -1.44 0.49 0.54 0.52 0.00 0.00 175.17 175.28 1faf n ARG 3 N 8.03 0.55 -4.02 4.34 1.74 -1.26 -5.09 116.66 120.95 1faf n ARG 3 Ca 0.24 -3.09 -0.22 0.00 -0.77 0.00 0.00 57.85 54.01 1faf n ARG 3 Cb 0.43 -1.37 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1faf s VAL 4 N -0.65 0.56 0.20 1.55 -7.23 -1.26 -4.90 120.40 108.67 1faf s VAL 4 Ca 0.34 -0.07 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 1faf s VAL 4 Cb 0.13 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.37 1faf s VAL 4 CO -0.14 0.26 0.65 -1.48 -0.31 0.00 0.00 175.10 174.07 1faf s LEU 5 N 1.34 4.31 0.00 1.32 0.05 -1.26 -5.09 118.68 119.35 1faf s LEU 5 Ca -0.04 1.25 0.00 0.00 0.05 0.00 0.00 54.13 55.39 1faf s LEU 5 Cb -0.13 -3.51 0.00 0.00 -2.05 0.00 0.00 46.19 40.49 1faf s LEU 5 CO -0.02 0.03 0.00 -1.54 -0.55 0.00 0.00 176.35 174.27 1faf n SER 6 N 0.62 0.00 -0.24 1.48 3.41 -1.26 -4.75 113.62 112.88 1faf n SER 6 Ca -0.03 -0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 57.75 1faf n SER 6 Cb 0.52 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.61 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 1.07 -0.12 4.33 -0.00 -1.98 -0.41 114.38 117.27 1faf h ARG 7 Ca 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.98 59.81 1faf h ARG 7 Cb 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 29.77 1faf h ARG 7 CO 0.00 0.83 0.02 0.00 -0.00 0.00 0.00 179.97 180.83 1faf h ALA 8 N 1.32 0.16 0.41 0.08 0.00 -1.97 0.12 119.26 119.37 1faf h ALA 8 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1faf h ALA 8 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 8 CO -0.03 -0.20 -0.20 -0.44 0.00 0.00 0.00 179.25 178.39 1faf h ASP 9 N -0.02 -0.47 -0.37 0.00 3.32 -1.88 -0.21 116.42 116.79 1faf h ASP 9 Ca 0.04 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1faf h ASP 9 Cb 0.28 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1faf h ASP 9 CO 0.00 -0.17 0.25 0.07 -1.72 0.00 0.00 179.24 177.67 1faf h LYS 10 N -0.77 0.24 -0.23 3.56 2.10 -1.12 0.89 116.57 121.25 1faf h LYS 10 Ca -0.06 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.45 1faf h LYS 10 Cb 0.53 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1faf h LYS 10 CO 0.09 0.16 -0.40 1.49 -2.00 0.00 0.00 179.45 178.79 1faf h GLU 11 N 0.25 0.52 -0.40 0.07 4.81 -0.49 -2.70 114.58 116.64 1faf h GLU 11 Ca 0.16 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1faf h GLU 11 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1faf h GLU 11 CO -0.03 0.84 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.92 1faf h ARG 12 N 0.43 0.69 -0.08 1.92 9.65 0.10 -1.92 114.38 125.17 1faf h ARG 12 Ca 0.04 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.67 1faf h ARG 12 Cb 0.89 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 1faf h ARG 12 CO 0.08 0.75 -0.16 1.25 2.80 0.00 0.00 179.97 184.69 1faf h LEU 13 N 0.63 0.12 -0.29 3.80 5.85 -1.02 -2.66 115.31 121.74 1faf h LEU 13 Ca 0.12 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1faf h LEU 13 Cb 0.50 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1faf h LEU 13 CO 0.03 0.29 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.05 1faf h LEU 14 N 0.12 0.76 -0.51 2.25 3.38 -1.07 -2.24 115.31 118.00 1faf h LEU 14 Ca 0.02 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1faf h LEU 14 Cb 0.36 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1faf h LEU 14 CO 0.02 1.08 0.18 -0.08 0.09 0.00 0.00 178.44 179.73 1faf h GLU 15 N 0.46 0.34 0.00 1.13 4.57 -1.11 0.14 114.58 120.10 1faf h GLU 15 Ca 0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1faf h GLU 15 Cb 0.87 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1faf h GLU 15 CO 0.07 0.23 0.00 1.28 -1.18 0.00 0.00 179.01 179.41 1faf n LEU 16 N -5.01 0.56 -0.11 1.64 4.77 -1.16 -2.70 117.00 114.99 1faf n LEU 16 Ca 0.06 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1faf n LEU 16 Cb 0.21 -0.45 0.32 0.00 -2.33 0.00 0.00 43.42 41.17 1faf n LEU 16 CO 0.24 -0.29 0.55 0.18 -1.33 0.00 0.00 177.39 176.74 1faf n LEU 17 N -2.07 0.72 -1.39 2.23 7.99 0.37 -4.84 117.00 120.01 1faf n LEU 17 Ca 0.04 -0.11 -0.15 0.00 -0.01 0.00 0.00 56.01 55.78 1faf n LEU 17 Cb 0.32 -0.19 -0.07 0.00 -0.11 0.00 0.00 43.42 43.37 1faf n LEU 17 CO 0.25 0.15 -0.15 0.29 -1.51 0.00 0.00 177.39 176.42 1faf n LYS 18 N -1.12 -1.39 -3.87 3.23 4.01 -0.58 -4.61 118.16 113.83 1faf n LYS 18 Ca 0.09 0.93 -0.36 0.00 -0.51 0.00 0.00 58.31 58.46 1faf n LYS 18 Cb 0.34 -5.22 -0.13 0.00 -0.51 0.00 0.00 35.03 29.50 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1faf s LEU 19 N -3.93 3.89 1.06 -0.35 0.20 -1.16 -5.08 118.68 113.31 1faf s LEU 19 Ca 0.00 -1.15 -0.18 0.00 0.69 0.00 0.00 54.13 53.48 1faf s LEU 19 Cb 0.00 -1.75 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1faf s LEU 19 CO 0.00 -0.25 -0.13 -2.65 -0.29 0.00 0.00 176.35 173.03 1faf n PRO 20 N 4.69 -1.02 0.00 0.98 -0.02 -1.26 -4.66 135.00 133.71 1faf n PRO 20 Ca -0.14 -0.28 0.14 0.00 -2.02 0.00 0.00 63.50 61.20 1faf n PRO 20 Cb 0.44 -1.62 0.48 0.00 -0.02 0.00 0.00 33.50 32.79 1faf n PRO 20 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1faf n ARG 21 N -1.20 1.06 0.08 -0.52 1.85 -1.26 -3.81 116.66 112.87 1faf n ARG 21 Ca 0.02 -0.57 -0.11 0.00 -1.00 0.00 0.00 57.85 56.19 1faf n ARG 21 Cb 0.61 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.44 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1faf h GLN 22 N 1.39 0.16 -0.63 2.89 4.15 -2.05 -3.24 115.11 117.77 1faf h GLN 22 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1faf h GLN 22 Cb 0.46 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1faf h GLN 22 CO 0.00 1.08 0.00 1.47 -1.93 0.00 0.00 178.83 179.45 1faf n LEU 23 N -3.50 3.87 -4.52 -2.39 -0.00 -1.25 -4.96 117.00 104.25 1faf n LEU 23 Ca -0.04 -2.09 -0.43 0.00 -0.00 0.00 0.00 56.01 53.45 1faf n LEU 23 Cb 0.94 -0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 43.85 1faf n LEU 23 CO 0.50 0.90 1.93 1.87 -0.00 0.00 0.00 177.39 182.60 1faf n TRP 24 N 1.29 1.53 0.00 1.47 -0.00 -1.22 -2.68 117.44 117.83 1faf n TRP 24 Ca 0.22 0.13 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 1faf n TRP 24 Cb 0.63 -2.60 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 1faf n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1faf n GLY 25 N 6.18 0.78 3.55 5.87 0.00 -1.26 -5.09 105.19 115.22 1faf n GLY 25 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1faf n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1faf s ASP 26 N 0.00 6.37 0.30 1.61 2.15 -1.09 -4.86 116.67 121.14 1faf s ASP 26 Ca 0.00 -1.08 0.07 0.00 0.43 0.00 0.00 52.55 51.97 1faf s ASP 26 Cb 0.00 -2.56 0.82 0.00 -0.30 0.00 0.00 42.92 40.88 1faf s ASP 26 CO 0.00 -1.62 1.70 0.15 -0.17 0.00 0.00 175.17 175.22 1faf h PHE 27 N 9.86 0.76 -0.33 -5.34 3.57 -1.98 0.37 116.94 123.85 1faf h PHE 27 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1faf h PHE 27 Cb 1.03 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1faf h PHE 27 CO 1.21 -0.05 0.22 0.78 -2.23 0.00 0.00 178.31 178.24 1faf h GLY 28 N 0.42 0.46 0.07 2.40 0.00 -1.99 0.87 103.07 105.31 1faf h GLY 28 Ca 0.61 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 1faf h GLY 28 CO -0.54 0.17 -0.25 -0.09 0.00 0.00 0.00 176.54 175.83 1faf h ARG 29 N 0.44 0.03 -0.08 4.80 9.65 -0.74 -2.82 114.38 125.67 1faf h ARG 29 Ca 0.12 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1faf h ARG 29 Cb -0.05 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1faf h ARG 29 CO -0.03 1.03 0.04 0.00 2.80 0.00 0.00 179.97 183.81 1faf h MET 30 N -0.93 0.11 -0.79 0.20 -0.00 -1.05 -1.02 114.93 111.44 1faf h MET 30 Ca -0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.58 1faf h MET 30 Cb 1.11 -0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.65 1faf h MET 30 CO -0.01 0.16 0.33 0.37 -0.00 0.00 0.00 176.91 177.77 1faf h GLN 31 N 0.03 1.17 -0.22 -0.10 4.15 -0.99 0.50 115.11 119.64 1faf h GLN 31 Ca 0.03 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1faf h GLN 31 Cb 0.09 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1faf h GLN 31 CO -0.00 0.94 0.08 0.37 -1.93 0.00 0.00 178.83 178.28 1faf h GLN 32 N 1.15 0.31 0.17 1.69 5.75 -1.25 -1.09 115.11 121.84 1faf h GLN 32 Ca 0.27 -0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.49 1faf h GLN 32 Cb 0.19 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 28.70 1faf h GLN 32 CO -0.03 0.27 -1.11 0.00 -2.65 0.00 0.00 178.83 175.31 1faf h ALA 33 N 1.78 -0.05 -0.41 3.38 0.00 -0.21 -2.70 119.26 121.05 1faf h ALA 33 Ca 0.08 -0.82 0.08 0.00 0.00 0.00 0.00 54.91 54.24 1faf h ALA 33 Cb 0.09 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1faf h ALA 33 CO -0.01 0.55 0.00 -0.92 0.00 0.00 0.00 179.25 178.88 1faf h TYR 34 N -0.22 -0.02 -0.09 0.00 5.03 0.41 -0.04 116.97 122.04 1faf h TYR 34 Ca -0.21 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.01 1faf h TYR 34 Cb 1.80 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 40.14 1faf h TYR 34 CO 0.17 -0.08 -0.51 0.87 -1.32 0.00 0.00 178.16 177.29 1faf h LYS 35 N 0.11 0.23 -0.72 1.82 6.56 -1.34 0.09 116.57 123.33 1faf h LYS 35 Ca 0.20 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1faf h LYS 35 Cb 0.29 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 1faf h LYS 35 CO -0.34 0.69 0.37 0.37 -2.06 0.00 0.00 179.45 178.48 1faf h GLN 36 N 0.18 1.02 0.00 3.15 4.15 -0.86 -1.65 115.11 121.11 1faf h GLN 36 Ca 0.01 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1faf h GLN 36 Cb 0.96 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1faf h GLN 36 CO 0.08 0.78 -0.57 1.96 -1.93 0.00 0.00 178.83 179.15 1faf h GLN 37 N 1.00 0.00 -0.20 1.69 1.08 -0.95 -3.32 115.11 114.41 1faf h GLN 37 Ca 0.25 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.26 1faf h GLN 37 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1faf h GLN 37 CO -0.04 0.00 -0.64 0.77 -0.95 0.00 0.00 178.83 177.97 1faf h SER 38 N 0.00 0.81 -0.16 1.46 0.02 -0.51 -1.81 113.55 113.36 1faf h SER 38 Ca 0.00 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1faf h SER 38 Cb 0.92 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1faf h SER 38 CO 0.00 1.25 0.02 -0.07 -1.14 0.00 0.00 176.83 176.89 1faf h LEU 39 N 0.52 0.34 0.00 5.07 3.38 -1.41 -1.63 115.31 121.58 1faf h LEU 39 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1faf h LEU 39 Cb 1.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1faf h LEU 39 CO 0.13 0.39 -0.63 0.17 0.09 0.00 0.00 178.44 178.59 1faf h LEU 40 N 0.37 0.00 -1.98 1.67 8.10 -1.67 -3.27 115.31 118.53 1faf h LEU 40 Ca 0.09 -0.16 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1faf h LEU 40 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1faf h LEU 40 CO 0.00 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.59 1faf n LEU 41 N -2.25 2.91 -4.75 0.17 4.77 -0.69 -4.46 117.00 112.71 1faf n LEU 41 Ca 0.03 -1.38 -0.39 0.00 -0.03 0.00 0.00 56.01 54.24 1faf n LEU 41 Cb 0.46 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1faf n LEU 41 CO 0.37 0.69 0.36 -2.28 -1.33 0.00 0.00 177.39 175.19 1faf s HIS 42 N -1.39 3.67 0.54 -1.77 2.46 -0.76 -4.15 115.29 113.88 1faf s HIS 42 Ca 0.37 1.28 0.39 0.00 0.47 0.00 0.00 55.06 57.57 1faf s HIS 42 Cb 0.20 -2.71 1.57 0.00 -0.13 0.00 0.00 32.58 31.51 1faf s HIS 42 CO 0.27 0.27 1.74 -1.35 -2.47 0.00 0.00 174.74 173.20 1faf h PRO 43 N 5.92 0.02 0.00 2.88 0.11 -1.87 1.04 132.00 140.09 1faf h PRO 43 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1faf h PRO 43 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1faf h PRO 43 CO 0.71 0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 175.05 1faf n ASP 44 N -4.17 0.27 -0.74 -2.05 2.03 -1.26 -2.49 116.55 108.15 1faf n ASP 44 Ca 0.30 0.57 0.06 0.00 0.52 0.00 0.00 54.79 56.24 1faf n ASP 44 Cb 1.41 -0.63 0.17 0.00 -0.72 0.00 0.00 41.12 41.36 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1faf n LYS 45 N -1.80 1.30 -2.77 -0.67 4.01 0.36 -5.00 118.16 113.59 1faf n LYS 45 Ca 0.03 -3.05 -0.03 0.00 -0.51 0.00 0.00 58.31 54.74 1faf n LYS 45 Cb 0.19 -1.33 0.02 0.00 -0.51 0.00 0.00 35.03 33.40 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1faf n GLY 46 N -0.84 -0.94 3.25 0.72 0.00 -1.04 -4.84 105.19 101.50 1faf n GLY 46 Ca 0.17 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 1faf n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 47 N -2.94 1.52 0.16 -0.02 0.00 -1.21 -4.92 107.32 99.90 1faf s GLY 47 Ca 0.11 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 1faf s GLY 47 CO 0.59 -1.49 0.56 -0.56 0.00 0.00 0.00 173.10 172.19 1faf s SER 48 N -3.22 6.83 -0.04 1.64 0.01 -1.26 -4.31 113.70 113.35 1faf s SER 48 Ca 0.36 1.09 -0.23 0.00 1.31 0.00 0.00 55.95 58.47 1faf s SER 48 Cb 0.07 -2.29 -0.25 0.00 0.21 0.00 0.00 66.02 63.77 1faf s SER 48 CO 0.11 0.09 1.01 -0.74 0.41 0.00 0.00 173.24 174.12 1faf h HIS 49 N 3.49 0.35 -0.53 2.43 2.76 -2.00 -3.17 115.15 118.48 1faf h HIS 49 Ca -0.48 -0.20 0.10 0.00 -2.20 0.00 0.00 60.37 57.58 1faf h HIS 49 Cb 1.19 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 1faf h HIS 49 CO 0.65 1.03 0.36 0.00 -1.30 0.00 0.00 177.93 178.68 1faf h ALA 50 N 0.23 2.10 -0.03 5.26 0.00 -1.97 -1.18 119.26 123.67 1faf h ALA 50 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1faf h ALA 50 Cb 1.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1faf h ALA 50 CO 0.07 -0.23 -0.00 -0.07 0.00 0.00 0.00 179.25 179.02 1faf h LEU 51 N 0.30 0.06 -1.67 0.00 4.07 -1.94 -0.11 115.31 116.02 1faf h LEU 51 Ca 0.25 -0.35 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 1faf h LEU 51 Cb 0.58 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1faf h LEU 51 CO -0.06 0.40 -0.19 -0.03 -1.08 0.00 0.00 178.44 177.48 1faf h MET 52 N -0.27 0.00 0.15 1.13 4.05 -1.36 -1.82 114.93 116.81 1faf h MET 52 Ca 0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.14 1faf h MET 52 Cb 0.37 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.20 1faf h MET 52 CO 0.00 0.19 -1.22 1.96 0.23 0.00 0.00 176.91 178.08 1faf h GLN 53 N 0.00 0.55 -0.37 0.39 1.08 -1.09 -2.98 115.11 112.69 1faf h GLN 53 Ca -0.00 -0.80 -0.03 0.00 -1.45 0.00 0.00 58.65 56.37 1faf h GLN 53 Cb 0.42 0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1faf h GLN 53 CO 0.03 1.37 0.13 1.49 -0.95 0.00 0.00 178.83 180.89 1faf h GLU 54 N 0.13 0.57 -0.32 1.46 4.81 -0.74 -2.78 114.58 117.71 1faf h GLU 54 Ca -0.20 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1faf h GLU 54 Cb 1.92 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 1faf h GLU 54 CO 0.23 0.57 0.17 1.25 -0.73 0.00 0.00 179.01 180.50 1faf h LEU 55 N 0.45 0.26 -2.13 1.64 5.85 -1.44 -1.53 115.31 118.42 1faf h LEU 55 Ca 0.12 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1faf h LEU 55 Cb 0.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1faf h LEU 55 CO -0.01 0.19 0.19 0.78 -0.34 0.00 0.00 178.44 179.25 1faf h ASN 56 N 0.35 0.00 -0.19 1.25 2.35 -1.40 0.11 115.58 118.06 1faf h ASN 56 Ca 0.13 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 1faf h ASN 56 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1faf h ASN 56 CO -0.08 0.00 -0.33 0.28 -1.65 0.00 0.00 177.43 175.66 1faf h SER 57 N 0.00 0.61 0.89 5.81 0.02 -1.01 0.66 113.55 120.53 1faf h SER 57 Ca 0.10 -0.54 -0.15 0.00 -0.84 0.00 0.00 61.79 60.37 1faf h SER 57 Cb 0.47 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1faf h SER 57 CO -0.00 1.03 -0.70 -0.07 -1.14 0.00 0.00 176.83 175.94 1faf h LEU 58 N 0.21 0.00 0.00 5.07 3.38 -1.00 -2.98 115.31 119.99 1faf h LEU 58 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1faf h LEU 58 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1faf h LEU 58 CO 0.07 0.70 -0.85 -0.25 0.09 0.00 0.00 178.44 178.21 1faf h TRP 59 N 0.00 0.00 0.14 1.13 2.91 -0.81 -3.17 115.95 116.16 1faf h TRP 59 Ca -0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1faf h TRP 59 Cb 1.34 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 1faf h TRP 59 CO 0.00 0.00 -0.07 0.78 -1.03 0.00 0.00 178.44 178.12 1faf h GLY 60 N 4.20 -0.19 0.53 2.65 0.00 0.40 -1.83 103.07 108.82 1faf h GLY 60 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1faf h GLY 60 CO 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 176.54 176.41 1faf h THR 61 N -0.74 0.77 -0.80 4.70 1.03 -1.72 -0.31 112.91 115.82 1faf h THR 61 Ca -0.02 -0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.55 1faf h THR 61 Cb 0.14 0.76 -0.15 0.00 -1.07 0.00 0.00 68.15 67.83 1faf h THR 61 CO 0.03 0.00 -0.16 0.15 -0.01 0.00 0.00 175.52 175.53 1faf h PHE 62 N 0.01 -0.35 -0.99 0.00 3.57 -1.68 0.62 116.94 118.11 1faf h PHE 62 Ca 0.11 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1faf h PHE 62 Cb 0.17 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 1faf h PHE 62 CO -0.24 -0.33 0.64 -0.22 -2.23 0.00 0.00 178.31 175.93 1faf h LYS 63 N 0.01 1.12 -1.02 1.11 3.64 -0.19 0.37 116.57 121.62 1faf h LYS 63 Ca 0.40 -0.07 0.25 0.00 -1.27 0.00 0.00 60.65 59.96 1faf h LYS 63 Cb 0.64 -0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.10 1faf h LYS 63 CO -0.81 0.74 0.63 1.15 -2.27 0.00 0.00 179.45 178.90 1faf h THR 64 N 1.16 0.56 0.00 1.00 2.02 0.12 0.77 112.91 118.53 1faf h THR 64 Ca 0.42 -0.18 -0.25 0.00 0.77 0.00 0.00 66.41 67.18 1faf h THR 64 Cb 0.17 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 1faf h THR 64 CO -0.17 0.09 -1.31 -0.33 0.37 0.00 0.00 175.52 174.18 1faf h GLU 65 N 0.52 0.01 -0.55 6.66 4.39 -1.08 -3.34 114.58 121.19 1faf h GLU 65 Ca 0.61 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.38 1faf h GLU 65 Cb 1.31 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.89 1faf h GLU 65 CO -0.37 0.80 0.14 0.28 -1.16 0.00 0.00 179.01 178.70 1faf h VAL 66 N 0.00 0.72 -0.28 3.13 2.07 0.25 0.39 116.25 122.53 1faf h VAL 66 Ca -0.13 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1faf h VAL 66 Cb 1.88 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1faf h VAL 66 CO 0.11 0.05 0.27 1.88 0.02 0.00 0.00 177.57 179.90 1faf h TYR 67 N 0.29 0.00 0.00 1.57 0.05 -1.29 0.11 116.97 117.71 1faf h TYR 67 Ca 0.28 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.94 1faf h TYR 67 Cb 0.38 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1faf h TYR 67 CO -0.21 0.00 -1.35 0.09 -1.05 0.00 0.00 178.16 175.63 1faf n ASN 68 N -3.94 0.80 0.26 3.88 3.02 0.10 -3.97 115.26 115.41 1faf n ASN 68 Ca 0.04 0.34 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 1faf n ASN 68 Cb 0.42 0.33 0.62 0.00 -0.61 0.00 0.00 39.78 40.54 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1faf h LEU 69 N 0.00 0.00 0.00 3.41 8.10 0.21 -2.13 115.31 124.90 1faf h LEU 69 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1faf h LEU 69 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.64 1faf h LEU 69 CO 0.03 0.10 0.00 0.54 -4.11 0.00 0.00 178.44 175.00 1faf n ARG 70 N -3.27 0.96 -0.03 0.17 1.74 -1.04 -3.89 116.66 111.30 1faf n ARG 70 Ca -0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1faf n ARG 70 Cb 0.34 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1faf n MET 71 N -0.94 0.25 -1.55 5.56 2.81 -0.83 -4.92 117.12 117.50 1faf n MET 71 Ca 0.20 0.10 -0.35 0.00 -1.81 0.00 0.00 57.70 55.85 1faf n MET 71 Cb 0.09 -0.94 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 1faf n MET 71 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1faf s ASN 72 N -6.01 4.38 -1.03 7.83 -0.87 -1.06 -4.88 114.94 113.31 1faf s ASN 72 Ca -0.15 1.03 -0.18 0.00 -1.57 0.00 0.00 52.86 51.99 1faf s ASN 72 Cb 0.03 -2.50 0.12 0.00 -0.02 0.00 0.00 41.25 38.88 1faf s ASN 72 CO 0.21 -2.96 1.29 -0.76 -2.57 0.00 0.00 177.10 172.31 1faf s LEU 73 N 12.45 4.69 0.00 0.60 1.43 -1.26 -4.88 118.68 131.70 1faf s LEU 73 Ca 0.98 -2.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1faf s LEU 73 Cb -0.17 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1faf s LEU 73 CO 0.25 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1faf n GLY 74 N 5.46 -1.43 0.00 -3.19 0.00 -1.26 -5.11 105.19 99.66 1faf n GLY 74 Ca 0.30 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1faf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 75 N 0.00 2.84 3.72 -0.02 0.00 -1.26 -5.14 105.19 105.33 1faf n GLY 75 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1faf n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1faf s THR 76 N -2.80 4.47 0.00 2.61 2.01 -1.26 -4.13 115.64 116.55 1faf s THR 76 Ca 0.00 1.84 0.00 0.00 0.31 0.00 0.00 61.69 63.84 1faf s THR 76 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1faf s THR 76 CO 0.00 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1faf n GLY 77 N 2.82 1.99 3.79 4.40 0.00 -1.26 -5.13 105.19 111.80 1faf n GLY 77 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1faf n GLY 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1faf s PHE 78 N -2.00 2.80 -2.00 1.61 -0.12 -1.26 -5.29 117.98 111.73 1faf s PHE 78 Ca 0.00 1.51 0.06 0.00 -0.05 0.00 0.00 56.93 58.45 1faf s PHE 78 Cb 0.00 -3.03 0.36 0.00 -0.63 0.00 0.00 43.02 39.73 1faf s PHE 78 CO 0.00 -1.49 0.83 1.04 -0.05 0.00 0.00 175.22 175.55