#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf n ASP 2 N 0.00 -2.41 -3.94 7.83 9.92 -1.26 -4.94 116.55 121.76 1faf n ASP 2 Ca 0.00 -0.63 -0.40 0.00 -0.53 0.00 0.00 54.79 53.23 1faf n ASP 2 Cb 0.00 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1faf n ARG 3 N -3.62 3.96 -3.82 -1.24 5.12 -1.26 -4.97 116.66 110.83 1faf n ARG 3 Ca 0.07 -4.57 -0.19 0.00 -1.93 0.00 0.00 57.85 51.24 1faf n ARG 3 Cb 0.30 -2.46 -0.17 0.00 -1.16 0.00 0.00 32.46 28.97 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1faf s VAL 4 N -2.54 0.13 0.12 1.55 -7.23 -1.26 -4.89 120.40 106.28 1faf s VAL 4 Ca 0.32 0.18 -0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1faf s VAL 4 Cb 0.05 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.63 1faf s VAL 4 CO 0.06 0.17 0.68 -1.48 -0.31 0.00 0.00 175.10 174.22 1faf s LEU 5 N 1.49 4.56 0.00 1.32 0.05 -1.26 -5.08 118.68 119.76 1faf s LEU 5 Ca -0.03 1.46 -0.02 0.00 0.05 0.00 0.00 54.13 55.59 1faf s LEU 5 Cb -0.13 -3.11 0.07 0.00 -2.05 0.00 0.00 46.19 40.98 1faf s LEU 5 CO -0.03 0.23 0.47 -1.54 -0.55 0.00 0.00 176.35 174.94 1faf n SER 6 N 1.71 0.49 -0.33 1.48 3.41 -1.26 -4.63 113.62 114.49 1faf n SER 6 Ca -0.08 -1.45 0.05 0.00 -0.26 0.00 0.00 58.87 57.13 1faf n SER 6 Cb 0.50 -0.32 0.20 0.00 -0.26 0.00 0.00 64.21 64.33 1faf n SER 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1faf h ARG 7 N 0.00 0.89 -0.14 4.33 9.65 -1.98 0.34 114.38 127.47 1faf h ARG 7 Ca -0.16 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.55 1faf h ARG 7 Cb 0.54 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1faf h ARG 7 CO 0.15 0.59 -0.44 0.00 2.80 0.00 0.00 179.97 183.07 1faf h ALA 8 N 1.49 0.99 0.04 2.80 0.00 -1.98 -1.28 119.26 121.33 1faf h ALA 8 Ca 0.45 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1faf h ALA 8 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1faf h ALA 8 CO -0.25 0.63 -0.02 -0.44 0.00 0.00 0.00 179.25 179.17 1faf h ASP 9 N 0.27 -0.05 -0.54 0.00 3.32 -1.58 -2.34 116.42 115.50 1faf h ASP 9 Ca 0.02 -0.52 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1faf h ASP 9 Cb 0.89 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1faf h ASP 9 CO 0.07 0.68 0.36 0.07 -1.72 0.00 0.00 179.24 178.70 1faf h LYS 10 N -0.96 0.45 -0.20 3.56 2.10 -0.45 0.20 116.57 121.27 1faf h LYS 10 Ca -0.01 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 1faf h LYS 10 Cb 0.56 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1faf h LYS 10 CO 0.01 0.29 -0.39 0.93 -2.00 0.00 0.00 179.45 178.30 1faf h GLU 11 N 0.46 0.44 -0.46 0.07 4.39 -1.31 -2.51 114.58 115.67 1faf h GLU 11 Ca 0.24 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1faf h GLU 11 Cb 0.36 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1faf h GLU 11 CO -0.07 0.77 0.18 -0.09 -1.16 0.00 0.00 179.01 178.64 1faf h ARG 12 N 0.37 0.66 -0.47 2.33 1.12 -0.05 -1.40 114.38 116.94 1faf h ARG 12 Ca 0.04 -0.09 -0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1faf h ARG 12 Cb 0.85 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.66 1faf h ARG 12 CO 0.07 0.55 0.06 1.25 -3.11 0.00 0.00 179.97 178.79 1faf h LEU 13 N 0.65 0.70 -0.78 3.80 5.85 -0.90 -2.56 115.31 122.07 1faf h LEU 13 Ca 0.16 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1faf h LEU 13 Cb 0.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1faf h LEU 13 CO -0.01 0.73 0.31 -0.07 -0.34 0.00 0.00 178.44 179.05 1faf h LEU 14 N 0.71 1.07 0.39 2.25 3.38 -1.08 -1.64 115.31 120.39 1faf h LEU 14 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1faf h LEU 14 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1faf h LEU 14 CO 0.01 0.95 -0.29 -0.33 0.09 0.00 0.00 178.44 178.87 1faf h GLU 15 N 1.12 -0.65 0.00 1.13 5.08 -1.13 -0.89 114.58 119.24 1faf h GLU 15 Ca 0.26 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1faf h GLU 15 Cb 0.21 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1faf h GLU 15 CO -0.02 -0.43 0.00 -0.07 -1.00 0.00 0.00 179.01 177.48 1faf h LEU 16 N -0.68 0.00 0.00 1.33 3.38 -1.45 -1.51 115.31 116.38 1faf h LEU 16 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1faf h LEU 16 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1faf h LEU 16 CO 0.00 0.00 -0.54 0.18 0.09 0.00 0.00 178.44 178.17 1faf n LEU 17 N -2.33 0.53 -1.37 1.67 7.99 -0.46 -4.79 117.00 118.25 1faf n LEU 17 Ca 0.00 0.02 -0.15 0.00 -0.01 0.00 0.00 56.01 55.87 1faf n LEU 17 Cb 0.14 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 1faf n LEU 17 CO 0.16 0.10 -0.14 0.29 -1.51 0.00 0.00 177.39 176.29 1faf n LYS 18 N -1.58 -1.39 -3.79 3.23 4.01 -0.51 -4.59 118.16 113.54 1faf n LYS 18 Ca 0.05 0.91 -0.37 0.00 -0.51 0.00 0.00 58.31 58.39 1faf n LYS 18 Cb 0.35 -5.19 -0.13 0.00 -0.51 0.00 0.00 35.03 29.56 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 -3.85 4.12 1.04 -0.35 0.20 -1.15 -5.08 118.68 113.62 1faf s LEU 19 Ca 0.00 -1.08 -0.22 0.00 0.69 0.00 0.00 54.13 53.52 1faf s LEU 19 Cb 0.00 -1.84 -0.06 0.00 -0.43 0.00 0.00 46.19 43.86 1faf s LEU 19 CO 0.00 -0.29 -0.72 -2.65 -0.29 0.00 0.00 176.35 172.41 1faf n PRO 20 N 4.78 -0.60 0.00 0.98 -0.02 -1.26 -4.72 135.00 134.16 1faf n PRO 20 Ca -0.13 -0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.31 1faf n PRO 20 Cb 0.45 -1.33 0.41 0.00 -0.02 0.00 0.00 33.50 33.01 1faf n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1faf n ARG 21 N 0.46 1.04 0.06 -0.52 1.74 -1.26 -3.97 116.66 114.22 1faf n ARG 21 Ca -0.00 -0.61 -0.07 0.00 -0.77 0.00 0.00 57.85 56.39 1faf n ARG 21 Cb 0.66 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1faf h GLN 22 N 1.49 0.02 -0.59 5.56 4.15 -2.05 -3.25 115.11 120.44 1faf h GLN 22 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1faf h GLN 22 Cb 0.50 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1faf h GLN 22 CO 0.00 1.00 0.00 1.47 -1.93 0.00 0.00 178.83 179.37 1faf n LEU 23 N -3.37 3.88 -4.54 -2.39 -0.00 -1.25 -4.94 117.00 104.37 1faf n LEU 23 Ca -0.01 -2.16 -0.31 0.00 -0.00 0.00 0.00 56.01 53.53 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 0.47 0.86 1.88 1.87 -0.00 0.00 0.00 177.39 182.48 1faf n TRP 24 N 1.10 1.20 0.00 1.47 -0.00 -1.23 -2.67 117.44 117.31 1faf n TRP 24 Ca 0.21 0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 1faf n TRP 24 Cb 0.65 -2.51 0.00 0.00 -0.00 0.00 0.00 31.31 29.46 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 6.22 0.41 3.54 5.87 0.00 -1.26 -5.09 105.19 114.89 1faf n GLY 25 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 6.35 0.42 1.61 -1.08 -1.09 -4.86 116.67 118.02 1faf s ASP 26 Ca 0.00 -1.07 0.22 0.00 -0.52 0.00 0.00 52.55 51.19 1faf s ASP 26 Cb 0.00 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.12 1faf s ASP 26 CO 0.00 -1.60 1.75 0.15 0.52 0.00 0.00 175.17 175.99 1faf h PHE 27 N 9.80 0.56 -0.51 -5.34 3.57 -1.98 0.23 116.94 123.28 1faf h PHE 27 Ca -0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1faf h PHE 27 Cb 1.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1faf h PHE 27 CO 1.19 0.02 0.06 0.78 -2.23 0.00 0.00 178.31 178.12 1faf h GLY 28 N 0.30 0.87 0.82 2.40 0.00 -1.99 -1.23 103.07 104.26 1faf h GLY 28 Ca 0.62 -0.55 -0.23 0.00 0.00 0.00 0.00 47.33 47.18 1faf h GLY 28 CO -0.28 0.51 -1.01 3.21 0.00 0.00 0.00 176.54 178.96 1faf h ARG 29 N 0.77 0.36 -0.10 4.80 3.08 -0.99 -2.84 114.38 119.46 1faf h ARG 29 Ca 0.16 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1faf h ARG 29 Cb 0.38 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1faf h ARG 29 CO 0.01 1.29 0.02 0.00 -1.07 0.00 0.00 179.97 180.22 1faf h MET 30 N -0.24 0.16 -0.32 0.04 -0.00 -1.25 -1.98 114.93 111.34 1faf h MET 30 Ca -0.18 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.43 1faf h MET 30 Cb 1.78 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 33.35 1faf h MET 30 CO 0.18 0.36 -0.03 0.37 -0.00 0.00 0.00 176.91 177.79 1faf h GLN 31 N -0.07 0.51 -0.03 -0.10 4.15 -1.38 -0.33 115.11 117.87 1faf h GLN 31 Ca 0.03 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.34 1faf h GLN 31 Cb 0.27 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1faf h GLN 31 CO 0.00 0.56 -0.01 0.37 -1.93 0.00 0.00 178.83 177.82 1faf h GLN 32 N 0.49 -0.01 -0.54 1.69 -0.00 -1.29 -2.12 115.11 113.32 1faf h GLN 32 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.70 1faf h GLN 32 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1faf h GLN 32 CO 0.01 -0.01 0.15 0.00 0.00 0.00 0.00 178.83 178.99 1faf h ALA 33 N 1.02 0.71 -0.88 3.38 0.00 -1.03 -2.67 119.26 119.78 1faf h ALA 33 Ca 0.02 -0.21 0.18 0.00 0.00 0.00 0.00 54.91 54.90 1faf h ALA 33 Cb 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 1faf h ALA 33 CO -0.04 0.40 0.45 -0.92 0.00 0.00 0.00 179.25 179.13 1faf h TYR 34 N 0.76 0.77 -0.42 0.00 5.03 -0.71 0.48 116.97 122.87 1faf h TYR 34 Ca 0.17 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.42 1faf h TYR 34 Cb 0.31 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1faf h TYR 34 CO 0.02 0.11 -0.13 0.87 -1.32 0.00 0.00 178.16 177.71 1faf h LYS 35 N 0.57 0.84 -0.46 1.82 1.79 -1.13 0.35 116.57 120.35 1faf h LYS 35 Ca 0.51 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1faf h LYS 35 Cb 0.83 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 1faf h LYS 35 CO -0.42 0.97 0.25 0.37 -1.08 0.00 0.00 179.45 179.54 1faf h GLN 36 N 0.66 0.62 0.00 3.15 5.75 -0.67 -1.87 115.11 122.75 1faf h GLN 36 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1faf h GLN 36 Cb 0.68 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.09 1faf h GLN 36 CO 0.05 0.46 -0.93 1.96 -2.65 0.00 0.00 178.83 177.71 1faf h GLN 37 N 0.63 0.00 0.00 1.69 1.08 -0.80 -3.30 115.11 114.41 1faf h GLN 37 Ca 0.16 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.27 1faf h GLN 37 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1faf h GLN 37 CO -0.03 0.05 -0.46 0.77 -0.95 0.00 0.00 178.83 178.21 1faf h SER 38 N 0.00 0.00 1.05 1.46 0.02 0.49 -0.72 113.55 115.86 1faf h SER 38 Ca -0.02 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1faf h SER 38 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1faf h SER 38 CO 0.01 0.46 -1.00 -0.07 -1.14 0.00 0.00 176.83 175.09 1faf h LEU 39 N 0.00 0.00 0.00 5.07 3.38 -1.52 -3.28 115.31 118.96 1faf h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1faf h LEU 39 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1faf h LEU 39 CO 0.06 0.69 -0.98 0.00 0.09 0.00 0.00 178.44 178.30 1faf n LEU 40 N -3.14 0.84 -0.74 1.67 -0.00 -1.16 -3.72 117.00 110.75 1faf n LEU 40 Ca -0.04 0.32 0.06 0.00 -0.00 0.00 0.00 56.01 56.35 1faf n LEU 40 Cb 0.85 -0.07 0.18 0.00 -0.00 0.00 0.00 43.42 44.38 1faf n LEU 40 CO 0.43 -0.18 0.65 0.18 -0.00 0.00 0.00 177.39 178.48 1faf n LEU 41 N -2.63 2.13 -4.82 1.47 4.77 -0.29 -4.07 117.00 113.57 1faf n LEU 41 Ca 0.00 -1.07 -0.37 0.00 -0.03 0.00 0.00 56.01 54.55 1faf n LEU 41 Cb 0.54 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1faf n LEU 41 CO 0.40 0.53 0.31 -2.28 -1.33 0.00 0.00 177.39 175.02 1faf s HIS 42 N -1.47 3.72 -1.11 -1.77 2.46 -1.24 -4.10 115.29 111.78 1faf s HIS 42 Ca 0.27 1.26 0.04 0.00 0.47 0.00 0.00 55.06 57.10 1faf s HIS 42 Cb 0.14 -2.50 0.20 0.00 -0.13 0.00 0.00 32.58 30.28 1faf s HIS 42 CO 0.18 0.48 1.10 -0.35 -2.47 0.00 0.00 174.74 173.68 1faf n PRO 43 N 1.20 0.02 0.02 2.88 -0.04 -1.26 -1.40 135.00 136.42 1faf n PRO 43 Ca -0.07 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1faf n PRO 43 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 1faf n PRO 43 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1faf n ASP 44 N -1.45 0.67 -1.83 3.54 2.03 -1.26 -4.07 116.55 114.19 1faf n ASP 44 Ca 0.01 0.29 -0.17 0.00 0.52 0.00 0.00 54.79 55.44 1faf n ASP 44 Cb 0.05 0.48 0.18 0.00 -0.72 0.00 0.00 41.12 41.11 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 -2.78 2.13 -2.77 -0.67 4.01 -0.49 -4.95 118.16 112.64 1faf n LYS 45 Ca -0.10 -3.12 -0.02 0.00 -0.51 0.00 0.00 58.31 54.56 1faf n LYS 45 Cb 0.81 -2.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 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 -1.12 -1.12 3.61 0.72 0.00 -1.19 -4.84 105.19 101.25 1faf n GLY 46 Ca 0.50 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.94 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 -2.72 0.72 0.15 -0.02 0.00 -1.02 -4.87 107.32 99.55 1faf s GLY 47 Ca 0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.64 1faf s GLY 47 CO 0.63 -0.65 0.56 -0.56 0.00 0.00 0.00 173.10 173.08 1faf s SER 48 N -3.07 6.82 -0.01 1.64 0.01 -1.26 -4.19 113.70 113.64 1faf s SER 48 Ca 0.23 1.08 -0.14 0.00 1.31 0.00 0.00 55.95 58.43 1faf s SER 48 Cb -0.01 -2.29 -0.33 0.00 0.21 0.00 0.00 66.02 63.59 1faf s SER 48 CO 0.12 0.09 0.84 1.12 0.41 0.00 0.00 173.24 175.82 1faf h HIS 49 N 3.49 0.86 0.00 2.43 2.07 -1.95 -3.28 115.15 118.76 1faf h HIS 49 Ca -0.48 -0.63 0.00 0.00 -2.85 0.00 0.00 60.37 56.41 1faf h HIS 49 Cb 1.19 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1faf h HIS 49 CO 0.65 1.62 0.06 0.00 -3.07 0.00 0.00 177.93 177.19 1faf h ALA 50 N 0.13 1.06 0.04 6.11 0.00 -1.94 -2.23 119.26 122.42 1faf h ALA 50 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1faf h ALA 50 Cb 2.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1faf h ALA 50 CO 0.23 -0.06 -0.55 -0.07 0.00 0.00 0.00 179.25 178.80 1faf h LEU 51 N 0.00 0.12 -1.75 0.00 3.38 -1.91 -2.64 115.31 112.52 1faf h LEU 51 Ca 0.00 -0.88 0.18 0.00 0.09 0.00 0.00 57.88 57.27 1faf h LEU 51 Cb 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1faf h LEU 51 CO 0.00 1.24 0.51 -0.03 0.09 0.00 0.00 178.44 180.25 1faf h MET 52 N -0.82 0.23 0.04 1.13 4.05 -1.47 0.34 114.93 118.42 1faf h MET 52 Ca -0.13 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.01 1faf h MET 52 Cb 1.25 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 1faf h MET 52 CO -0.01 0.15 -1.38 -0.56 0.23 0.00 0.00 176.91 175.34 1faf h GLN 53 N 0.23 0.07 -0.26 0.39 3.07 -1.62 -2.82 115.11 114.17 1faf h GLN 53 Ca 0.37 -0.13 -0.12 0.00 0.09 0.00 0.00 58.65 58.86 1faf h GLN 53 Cb 1.09 0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.70 1faf h GLN 53 CO -0.08 0.88 -0.29 1.49 0.09 0.00 0.00 178.83 180.91 1faf h GLU 54 N 0.02 0.66 -0.35 0.06 4.57 -0.50 -2.62 114.58 116.41 1faf h GLU 54 Ca -0.17 -0.36 -0.16 0.00 -1.18 0.00 0.00 59.36 57.49 1faf h GLU 54 Cb 1.92 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.52 1faf h GLU 54 CO 0.12 0.97 -0.43 1.25 -1.18 0.00 0.00 179.01 179.74 1faf h LEU 55 N 0.38 0.95 -1.50 1.64 5.85 -0.57 -2.97 115.31 119.09 1faf h LEU 55 Ca 0.04 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1faf h LEU 55 Cb 0.86 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1faf h LEU 55 CO 0.07 1.24 0.30 0.78 -0.34 0.00 0.00 178.44 180.49 1faf h ASN 56 N 0.71 0.55 0.59 1.25 2.35 -1.49 0.13 115.58 119.67 1faf h ASN 56 Ca 0.05 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1faf h ASN 56 Cb 1.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1faf h ASN 56 CO 0.10 0.42 -0.41 0.28 -1.65 0.00 0.00 177.43 176.17 1faf h SER 57 N 0.65 0.00 0.73 5.81 0.02 -1.32 0.35 113.55 119.79 1faf h SER 57 Ca 0.17 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 1faf h SER 57 Cb -0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1faf h SER 57 CO -0.03 0.41 -1.38 -0.07 -1.14 0.00 0.00 176.83 174.61 1faf h LEU 58 N 0.00 0.00 0.00 5.07 3.38 -1.04 -3.25 115.31 119.47 1faf h LEU 58 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1faf h LEU 58 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1faf h LEU 58 CO 0.05 0.89 -0.89 -0.25 0.09 0.00 0.00 178.44 178.33 1faf h TRP 59 N 0.00 0.00 0.13 1.13 2.91 -0.66 -3.19 115.95 116.27 1faf h TRP 59 Ca -0.17 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.84 1faf h TRP 59 Cb 1.83 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.48 1faf h TRP 59 CO 0.00 0.00 -0.06 0.78 -1.03 0.00 0.00 178.44 178.13 1faf h GLY 60 N 4.16 -0.18 0.32 2.65 0.00 -0.41 -1.18 103.07 108.43 1faf h GLY 60 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1faf h GLY 60 CO 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 176.54 176.41 1faf h THR 61 N -0.59 0.66 -0.72 4.70 1.03 -1.76 0.11 112.91 116.34 1faf h THR 61 Ca -0.02 -0.01 0.13 0.00 -0.01 0.00 0.00 66.41 66.50 1faf h THR 61 Cb 0.13 0.63 -0.13 0.00 -1.07 0.00 0.00 68.15 67.71 1faf h THR 61 CO 0.03 0.00 -0.29 0.15 -0.01 0.00 0.00 175.52 175.41 1faf h PHE 62 N 0.03 -0.75 -0.80 0.00 3.57 -1.68 0.48 116.94 117.79 1faf h PHE 62 Ca 0.18 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1faf h PHE 62 Cb 0.26 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 1faf h PHE 62 CO -0.31 -0.37 0.48 -0.22 -2.23 0.00 0.00 178.31 175.67 1faf h LYS 63 N -0.08 0.85 -1.04 1.11 3.64 0.42 0.27 116.57 121.75 1faf h LYS 63 Ca 0.30 -0.05 0.26 0.00 -1.27 0.00 0.00 60.65 59.90 1faf h LYS 63 Cb 0.56 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.10 1faf h LYS 63 CO -0.77 0.56 0.66 1.15 -2.27 0.00 0.00 179.45 178.79 1faf h THR 64 N 0.88 0.53 0.00 1.00 2.02 0.20 0.95 112.91 118.49 1faf h THR 64 Ca 0.35 -0.14 -0.26 0.00 0.77 0.00 0.00 66.41 67.14 1faf h THR 64 Cb 0.19 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1faf h THR 64 CO -0.18 0.07 -1.39 -0.33 0.37 0.00 0.00 175.52 174.07 1faf h GLU 65 N 0.40 0.01 -0.67 6.66 4.39 -0.63 -3.35 114.58 121.39 1faf h GLU 65 Ca 0.59 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.36 1faf h GLU 65 Cb 1.48 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 30.07 1faf h GLU 65 CO -0.30 0.74 0.34 0.28 -1.16 0.00 0.00 179.01 178.91 1faf h VAL 66 N 0.00 0.88 -0.22 3.13 2.07 0.43 1.02 116.25 123.55 1faf h VAL 66 Ca -0.16 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1faf h VAL 66 Cb 1.90 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1faf h VAL 66 CO 0.10 0.11 0.15 1.88 0.02 0.00 0.00 177.57 179.83 1faf h TYR 67 N 0.59 0.21 0.00 1.57 -1.99 -1.24 -1.57 116.97 114.54 1faf h TYR 67 Ca 0.32 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.99 1faf h TYR 67 Cb 0.31 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1faf h TYR 67 CO -0.11 0.12 -1.26 0.09 -0.00 0.00 0.00 178.16 177.01 1faf n ASN 68 N -4.50 0.77 0.30 3.88 3.02 0.06 -4.04 115.26 114.76 1faf n ASN 68 Ca 0.01 0.32 0.16 0.00 -0.03 0.00 0.00 54.58 55.04 1faf n ASN 68 Cb 0.14 0.47 0.95 0.00 -0.61 0.00 0.00 39.78 40.72 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 0.20 -0.11 115.31 126.92 1faf h LEU 69 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1faf h LEU 69 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 1faf h LEU 69 CO 0.02 0.01 0.00 0.54 -4.11 0.00 0.00 178.44 174.90 1faf n ARG 70 N -3.73 0.80 0.00 0.17 5.12 -1.21 -3.46 116.66 114.36 1faf n ARG 70 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1faf n ARG 70 Cb 0.09 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1faf n MET 71 N -0.95 0.00 -2.25 5.56 2.81 -0.12 -5.05 117.12 117.12 1faf n MET 71 Ca 0.17 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.69 1faf n MET 71 Cb 0.08 -0.99 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 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 -3.97 6.33 -0.44 7.83 0.01 -0.76 -4.93 114.94 119.00 1faf s ASN 72 Ca 0.00 2.36 -0.01 0.00 -0.71 0.00 0.00 52.86 54.50 1faf s ASN 72 Cb 0.00 -2.61 0.31 0.00 0.41 0.00 0.00 41.25 39.36 1faf s ASN 72 CO 0.00 -0.81 2.00 -0.11 -1.51 0.00 0.00 177.10 176.67 1faf n LEU 73 N -0.19 6.85 0.00 0.60 0.00 -1.26 -4.56 117.00 118.45 1faf n LEU 73 Ca 0.06 -3.62 0.00 0.00 0.00 0.00 0.00 56.01 52.44 1faf n LEU 73 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 43.42 42.88 1faf n LEU 73 CO 0.50 1.29 0.00 0.61 0.00 0.00 0.00 177.39 179.79 1faf n GLY 74 N -0.15 2.44 0.00 -3.96 0.00 -1.26 -5.14 105.19 97.12 1faf n GLY 74 Ca 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.09 3.63 -0.02 0.00 -1.26 -5.08 105.19 101.37 1faf n GLY 75 Ca 0.00 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1faf n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1faf s THR 76 N -1.59 4.48 0.00 2.61 -4.23 -1.26 -4.39 115.64 111.25 1faf s THR 76 Ca 0.00 1.59 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 1faf s THR 76 Cb 0.00 -4.43 0.00 0.00 1.34 0.00 0.00 72.50 69.41 1faf s THR 76 CO 0.00 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1faf n GLY 77 N 4.08 0.40 3.72 3.99 0.00 -1.26 -5.13 105.19 110.99 1faf n GLY 77 Ca 0.11 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1faf n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1faf s PHE 78 N 0.00 3.76 -2.00 1.61 5.36 -1.26 -5.19 117.98 120.26 1faf s PHE 78 Ca 0.00 1.77 0.16 0.00 -0.96 0.00 0.00 56.93 57.89 1faf s PHE 78 Cb 0.00 -3.08 0.93 0.00 -0.34 0.00 0.00 43.02 40.54 1faf s PHE 78 CO 0.00 0.13 1.34 0.00 -1.46 0.00 0.00 175.22 175.24