#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 7.25 -0.85 7.83 1.01 -1.26 -4.99 116.67 125.67 1faf s ASP 2 Ca 0.00 2.28 -0.16 0.00 0.71 0.00 0.00 52.55 55.38 1faf s ASP 2 Cb 0.00 -2.63 0.18 0.00 1.01 0.00 0.00 42.92 41.48 1faf s ASP 2 CO 0.00 -0.16 0.89 -0.60 0.21 0.00 0.00 175.17 175.51 1faf s ARG 3 N -1.43 3.56 -0.05 8.23 3.52 -1.26 -4.99 118.95 126.54 1faf s ARG 3 Ca 0.45 -2.13 -0.01 0.00 -0.13 0.00 0.00 55.73 53.91 1faf s ARG 3 Cb -0.32 -4.59 0.03 0.00 -1.56 0.00 0.00 34.95 28.50 1faf s ARG 3 CO 0.41 -1.48 0.03 0.14 -0.81 0.00 0.00 175.30 173.59 1faf s VAL 4 N 1.26 0.10 0.25 7.11 -7.23 -1.26 -4.90 120.40 115.73 1faf s VAL 4 Ca 0.23 0.26 -0.15 0.00 -1.81 0.00 0.00 61.98 60.51 1faf s VAL 4 Cb -0.09 -0.30 -0.08 0.00 0.56 0.00 0.00 36.38 36.47 1faf s VAL 4 CO -0.08 0.20 0.67 -1.48 -0.31 0.00 0.00 175.10 174.09 1faf s LEU 5 N 1.87 4.20 0.00 1.32 0.05 -1.26 -5.09 118.68 119.76 1faf s LEU 5 Ca 0.02 1.21 -0.01 0.00 0.05 0.00 0.00 54.13 55.40 1faf s LEU 5 Cb -0.12 -3.75 0.07 0.00 -2.05 0.00 0.00 46.19 40.34 1faf s LEU 5 CO -0.04 -0.07 0.46 -1.54 -0.55 0.00 0.00 176.35 174.61 1faf n SER 6 N 0.14 0.51 -0.33 1.48 3.41 -1.26 -4.75 113.62 112.83 1faf n SER 6 Ca 0.00 -1.46 0.02 0.00 -0.26 0.00 0.00 58.87 57.18 1faf n SER 6 Cb 0.52 -0.31 0.20 0.00 -0.26 0.00 0.00 64.21 64.36 1faf n SER 6 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1faf h ARG 7 N 0.00 1.10 -0.08 4.33 3.08 -1.98 -0.01 114.38 120.83 1faf h ARG 7 Ca -0.15 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1faf h ARG 7 Cb 0.53 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1faf h ARG 7 CO 0.15 0.73 0.04 0.00 -1.07 0.00 0.00 179.97 179.82 1faf h ALA 8 N 1.47 0.10 0.56 0.04 0.00 -1.98 0.94 119.26 120.38 1faf h ALA 8 Ca 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1faf h ALA 8 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1faf h ALA 8 CO -0.13 -0.34 -0.27 -0.44 0.00 0.00 0.00 179.25 178.06 1faf h ASP 9 N -0.00 -0.64 -0.66 0.00 3.32 -1.81 -1.43 116.42 115.21 1faf h ASP 9 Ca 0.03 -0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.19 1faf h ASP 9 Cb 0.12 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1faf h ASP 9 CO -0.00 -0.30 0.46 0.07 -1.72 0.00 0.00 179.24 177.75 1faf h LYS 10 N -0.99 0.17 -0.56 3.56 2.10 -1.05 0.46 116.57 120.26 1faf h LYS 10 Ca -0.08 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.47 1faf h LYS 10 Cb 0.64 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1faf h LYS 10 CO 0.13 0.11 -0.01 0.93 -2.00 0.00 0.00 179.45 178.61 1faf h GLU 11 N 0.17 0.96 -0.05 0.07 5.08 -0.54 -2.04 114.58 118.23 1faf h GLU 11 Ca 0.32 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1faf h GLU 11 Cb 1.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1faf h GLU 11 CO -0.05 0.95 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.73 1faf h ARG 12 N 0.88 0.07 -0.05 2.33 9.65 0.10 -0.73 114.38 126.63 1faf h ARG 12 Ca 0.16 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.91 1faf h ARG 12 Cb 0.53 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1faf h ARG 12 CO 0.03 0.17 -0.53 1.25 2.80 0.00 0.00 179.97 183.69 1faf h LEU 13 N 0.07 0.16 -0.17 3.80 5.85 -0.75 -3.06 115.31 121.22 1faf h LEU 13 Ca 0.02 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 1faf h LEU 13 Cb 0.21 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.20 1faf h LEU 13 CO 0.01 0.66 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.06 1faf h LEU 14 N 0.12 0.86 -0.49 2.25 3.38 -0.78 -1.82 115.31 118.83 1faf h LEU 14 Ca 0.00 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.43 1faf h LEU 14 Cb 0.97 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1faf h LEU 14 CO 0.08 1.32 0.14 -0.08 0.09 0.00 0.00 178.44 179.99 1faf h GLU 15 N 0.44 0.29 0.00 1.13 4.81 -1.25 0.84 114.58 120.84 1faf h GLU 15 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1faf h GLU 15 Cb 1.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1faf h GLU 15 CO 0.14 0.19 0.00 -0.07 -0.73 0.00 0.00 179.01 178.54 1faf h LEU 16 N 0.30 0.00 -0.28 1.64 3.38 -1.56 -3.07 115.31 115.71 1faf h LEU 16 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1faf h LEU 16 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1faf h LEU 16 CO -0.27 0.00 -0.37 0.18 0.09 0.00 0.00 178.44 178.06 1faf n LEU 17 N -2.38 0.82 -1.42 1.67 7.99 0.10 -4.79 117.00 118.98 1faf n LEU 17 Ca 0.05 -0.16 -0.14 0.00 -0.01 0.00 0.00 56.01 55.75 1faf n LEU 17 Cb 0.40 -0.17 -0.06 0.00 -0.11 0.00 0.00 43.42 43.48 1faf n LEU 17 CO 0.28 0.17 -0.13 0.29 -1.51 0.00 0.00 177.39 176.49 1faf n LYS 18 N -1.01 -1.32 -3.75 3.23 4.01 -0.10 -4.68 118.16 114.54 1faf n LYS 18 Ca 0.09 0.80 -0.38 0.00 -0.51 0.00 0.00 58.31 58.31 1faf n LYS 18 Cb 0.34 -5.06 -0.12 0.00 -0.51 0.00 0.00 35.03 29.68 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 4.39 1.06 -0.35 0.20 -1.17 -5.08 118.68 113.88 1faf s LEU 19 Ca 0.00 -1.19 -0.20 0.00 0.69 0.00 0.00 54.13 53.42 1faf s LEU 19 Cb 0.00 -1.87 -0.00 0.00 -0.43 0.00 0.00 46.19 43.88 1faf s LEU 19 CO 0.00 -0.35 -0.43 -2.65 -0.29 0.00 0.00 176.35 172.63 1faf n PRO 20 N 4.81 -0.90 0.00 0.98 -0.02 -1.26 -4.74 135.00 133.86 1faf n PRO 20 Ca -0.12 -0.25 0.14 0.00 -2.02 0.00 0.00 63.50 61.25 1faf n PRO 20 Cb 0.44 -1.48 0.49 0.00 -0.02 0.00 0.00 33.50 32.94 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 1.06 0.05 -0.52 1.74 -1.26 -3.78 116.66 113.49 1faf n ARG 21 Ca 0.00 -0.56 -0.08 0.00 -0.77 0.00 0.00 57.85 56.44 1faf n ARG 21 Cb 0.65 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.37 0.03 -0.48 5.56 5.75 -2.05 -3.29 115.11 122.00 1faf h GLN 22 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1faf h GLN 22 Cb 0.45 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1faf h GLN 22 CO 0.00 0.92 0.00 1.47 -2.65 0.00 0.00 178.83 178.57 1faf n LEU 23 N -3.31 3.79 -4.54 -2.39 -0.00 -1.25 -4.96 117.00 104.34 1faf n LEU 23 Ca -0.05 -2.31 -0.31 0.00 -0.00 0.00 0.00 56.01 53.35 1faf n LEU 23 Cb 0.97 -0.43 -0.08 0.00 -0.00 0.00 0.00 43.42 43.88 1faf n LEU 23 CO 0.47 0.78 1.90 1.87 -0.00 0.00 0.00 177.39 182.41 1faf n TRP 24 N 0.68 1.04 0.00 1.47 -0.00 -1.24 -2.46 117.44 116.93 1faf n TRP 24 Ca 0.19 0.13 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 1faf n TRP 24 Cb 0.67 -2.37 0.00 0.00 -0.00 0.00 0.00 31.31 29.62 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 6.24 0.29 3.55 5.87 0.00 -1.26 -5.09 105.19 114.79 1faf n GLY 25 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 5.98 0.36 1.61 -1.08 -1.03 -4.85 116.67 117.66 1faf s ASP 26 Ca 0.00 -0.51 0.11 0.00 -0.52 0.00 0.00 52.55 51.63 1faf s ASP 26 Cb 0.00 -2.56 0.89 0.00 -1.46 0.00 0.00 42.92 39.79 1faf s ASP 26 CO 0.00 -1.95 1.84 0.15 0.52 0.00 0.00 175.17 175.73 1faf h PHE 27 N 11.04 0.79 -0.36 -5.34 3.57 -1.98 -0.41 116.94 124.26 1faf h PHE 27 Ca -0.15 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1faf h PHE 27 Cb 1.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1faf h PHE 27 CO 1.15 0.23 0.02 0.78 -2.23 0.00 0.00 178.31 178.26 1faf h GLY 28 N 0.61 0.60 0.69 2.40 0.00 -1.99 -1.32 103.07 104.06 1faf h GLY 28 Ca 0.50 -0.35 -0.21 0.00 0.00 0.00 0.00 47.33 47.26 1faf h GLY 28 CO -0.24 0.33 -0.97 3.21 0.00 0.00 0.00 176.54 178.86 1faf h ARG 29 N 0.54 0.30 -0.30 4.80 3.08 -1.52 -2.85 114.38 118.43 1faf h ARG 29 Ca 0.12 -0.52 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 1faf h ARG 29 Cb 0.32 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1faf h ARG 29 CO 0.01 1.25 0.12 0.00 -1.07 0.00 0.00 179.97 180.28 1faf h MET 30 N -0.33 0.45 -0.38 0.04 -0.00 -1.29 -1.68 114.93 111.73 1faf h MET 30 Ca -0.18 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.70 59.38 1faf h MET 30 Cb 1.70 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 33.20 1faf h MET 30 CO 0.14 0.45 -0.03 0.37 -0.00 0.00 0.00 176.91 177.84 1faf h GLN 31 N 0.34 0.62 -0.40 -0.10 4.15 -1.38 0.25 115.11 118.58 1faf h GLN 31 Ca 0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1faf h GLN 31 Cb 0.17 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1faf h GLN 31 CO -0.01 0.67 0.21 0.37 -1.93 0.00 0.00 178.83 178.14 1faf h GLN 32 N 0.59 0.57 -0.19 1.69 5.75 -1.23 -1.50 115.11 120.78 1faf h GLN 32 Ca 0.12 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.42 1faf h GLN 32 Cb 0.42 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1faf h GLN 32 CO 0.02 0.47 -0.37 0.00 -2.65 0.00 0.00 178.83 176.30 1faf h ALA 33 N 1.07 0.31 -0.45 3.38 0.00 -0.98 -2.53 119.26 120.06 1faf h ALA 33 Ca 0.14 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1faf h ALA 33 Cb 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1faf h ALA 33 CO -0.02 0.38 -0.13 -0.92 0.00 0.00 0.00 179.25 178.56 1faf h TYR 34 N 0.26 -0.28 0.00 0.00 5.03 -0.34 0.48 116.97 122.13 1faf h TYR 34 Ca 0.01 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.30 1faf h TYR 34 Cb 0.97 0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 1faf h TYR 34 CO 0.09 -0.21 -0.30 -0.22 -1.32 0.00 0.00 178.16 176.21 1faf h LYS 35 N -0.02 0.00 0.04 1.82 3.64 -1.30 -0.02 116.57 120.74 1faf h LYS 35 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1faf h LYS 35 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1faf h LYS 35 CO -0.47 0.30 -0.02 1.96 -2.27 0.00 0.00 179.45 178.95 1faf h GLN 36 N 0.00 -0.05 0.00 1.90 7.50 -0.36 -3.19 115.11 120.92 1faf h GLN 36 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1faf h GLN 36 Cb 0.53 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1faf h GLN 36 CO 0.04 0.52 0.00 1.96 -1.50 0.00 0.00 178.83 179.85 1faf h GLN 37 N -0.67 0.00 -0.08 1.46 1.08 -0.09 -2.76 115.11 114.05 1faf h GLN 37 Ca -0.01 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 1faf h GLN 37 Cb 0.60 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1faf h GLN 37 CO 0.01 0.00 -0.45 0.77 -0.95 0.00 0.00 178.83 178.21 1faf h SER 38 N 0.00 0.19 0.13 1.46 0.02 -0.98 -1.40 113.55 112.97 1faf h SER 38 Ca 0.00 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1faf h SER 38 Cb 0.51 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1faf h SER 38 CO 0.00 0.62 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.81 1faf h LEU 39 N 0.15 0.41 0.00 5.07 3.38 -1.48 -2.67 115.31 120.16 1faf h LEU 39 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1faf h LEU 39 Cb 0.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1faf h LEU 39 CO 0.07 0.79 -0.56 0.17 0.09 0.00 0.00 178.44 179.00 1faf h LEU 40 N 0.31 0.00 -1.84 1.67 8.10 -1.60 -3.26 115.31 118.70 1faf h LEU 40 Ca 0.02 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1faf h LEU 40 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.12 1faf h LEU 40 CO 0.07 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.66 1faf n LEU 41 N -2.24 2.73 -4.83 0.17 4.77 -0.54 -4.03 117.00 113.02 1faf n LEU 41 Ca 0.03 -1.22 -0.36 0.00 -0.03 0.00 0.00 56.01 54.43 1faf n LEU 41 Cb 0.45 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1faf n LEU 41 CO 0.36 0.61 0.26 -2.28 -1.33 0.00 0.00 177.39 175.01 1faf s HIS 42 N -1.53 3.67 -0.96 -1.77 2.46 -1.03 -3.80 115.29 112.33 1faf s HIS 42 Ca 0.36 1.15 0.09 0.00 0.47 0.00 0.00 55.06 57.12 1faf s HIS 42 Cb 0.20 -2.43 0.37 0.00 -0.13 0.00 0.00 32.58 30.59 1faf s HIS 42 CO 0.28 0.47 1.27 -0.35 -2.47 0.00 0.00 174.74 173.94 1faf n PRO 43 N 1.08 0.01 0.14 2.88 -0.04 -1.22 0.01 135.00 137.85 1faf n PRO 43 Ca -0.07 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1faf n PRO 43 Cb 0.51 -1.52 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 1faf n PRO 43 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1faf h ASP 44 N 0.00 0.00 -0.24 3.54 1.82 -1.92 -3.31 116.42 116.31 1faf h ASP 44 Ca 0.00 -0.04 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1faf h ASP 44 Cb 0.14 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.06 1faf h ASP 44 CO 0.00 0.02 -0.31 0.29 -1.61 0.00 0.00 179.24 177.63 1faf n LYS 45 N -2.69 1.87 -2.28 0.28 4.76 -0.73 -4.92 118.16 114.45 1faf n LYS 45 Ca 0.02 -3.32 -0.06 0.00 -2.87 0.00 0.00 58.31 52.08 1faf n LYS 45 Cb 0.51 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1faf n GLY 46 N -1.09 0.23 3.83 0.72 0.00 -1.22 -4.90 105.19 102.77 1faf n GLY 46 Ca 0.29 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.83 1.50 0.19 -0.02 0.00 0.10 -4.96 107.32 101.30 1faf s GLY 47 Ca 0.04 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 1faf s GLY 47 CO 0.05 -1.49 0.56 -0.56 0.00 0.00 0.00 173.10 171.66 1faf s SER 48 N -3.89 6.74 0.05 1.64 0.01 -1.25 -3.44 113.70 113.56 1faf s SER 48 Ca 0.35 1.02 -0.17 0.00 1.31 0.00 0.00 55.95 58.46 1faf s SER 48 Cb -0.07 -2.27 -0.18 0.00 0.21 0.00 0.00 66.02 63.71 1faf s SER 48 CO 0.25 0.01 1.24 -0.74 0.41 0.00 0.00 173.24 174.41 1faf h HIS 49 N 3.05 0.75 -0.00 2.43 2.76 -1.95 -2.94 115.15 119.24 1faf h HIS 49 Ca -0.48 -0.33 -0.05 0.00 -2.20 0.00 0.00 60.37 57.31 1faf h HIS 49 Cb 1.18 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 1faf h HIS 49 CO 0.63 1.11 -0.23 0.00 -1.30 0.00 0.00 177.93 178.15 1faf h ALA 50 N 0.48 1.61 -0.03 5.26 0.00 -1.94 -2.22 119.26 122.42 1faf h ALA 50 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1faf h ALA 50 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1faf h ALA 50 CO 0.11 0.30 -0.01 -0.07 0.00 0.00 0.00 179.25 179.58 1faf h LEU 51 N 0.01 0.06 -1.93 0.00 4.07 -1.88 -2.36 115.31 113.28 1faf h LEU 51 Ca -0.00 -0.36 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 1faf h LEU 51 Cb 0.41 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1faf h LEU 51 CO 0.03 0.41 -0.12 -0.03 -1.08 0.00 0.00 178.44 177.65 1faf h MET 52 N -0.29 0.00 -0.06 1.13 4.05 -1.33 -2.14 114.93 116.29 1faf h MET 52 Ca 0.01 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.26 1faf h MET 52 Cb 0.38 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1faf h MET 52 CO 0.00 0.12 -0.70 1.96 0.23 0.00 0.00 176.91 178.52 1faf h GLN 53 N 0.00 0.31 0.35 0.39 1.08 -1.19 -2.75 115.11 113.29 1faf h GLN 53 Ca -0.00 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1faf h GLN 53 Cb 0.29 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1faf h GLN 53 CO 0.02 0.89 -0.17 1.49 -0.95 0.00 0.00 178.83 180.11 1faf h GLU 54 N 0.21 -0.45 -0.49 1.46 4.57 -0.85 -1.60 114.58 117.43 1faf h GLU 54 Ca -0.02 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1faf h GLU 54 Cb 1.26 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 1faf h GLU 54 CO 0.11 -0.18 0.27 1.25 -1.18 0.00 0.00 179.01 179.28 1faf h LEU 55 N -0.66 0.41 -1.04 1.64 5.85 -1.61 0.15 115.31 120.05 1faf h LEU 55 Ca -0.05 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1faf h LEU 55 Cb 0.47 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1faf h LEU 55 CO 0.08 0.29 0.64 0.78 -0.34 0.00 0.00 178.44 179.89 1faf h ASN 56 N 0.53 1.07 -0.11 1.25 2.35 -1.46 0.67 115.58 119.88 1faf h ASN 56 Ca 0.21 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1faf h ASN 56 Cb 0.08 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1faf h ASN 56 CO -0.12 0.73 -0.13 -1.28 -1.65 0.00 0.00 177.43 174.98 1faf h SER 57 N 1.24 0.31 0.71 5.81 0.87 -0.64 0.96 113.55 122.81 1faf h SER 57 Ca 0.39 -0.50 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1faf h SER 57 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1faf h SER 57 CO -0.12 0.75 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.59 1faf h LEU 58 N -0.11 0.00 0.00 2.23 3.38 -0.65 -2.23 115.31 117.93 1faf h LEU 58 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1faf h LEU 58 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1faf h LEU 58 CO 0.03 0.27 -0.56 1.87 0.09 0.00 0.00 178.44 180.14 1faf n TRP 59 N -3.57 0.17 -0.02 1.13 -0.00 0.23 -3.16 117.44 112.22 1faf n TRP 59 Ca -0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 57.50 57.54 1faf n TRP 59 Cb 0.41 -0.38 -0.00 0.00 -0.00 0.00 0.00 31.31 31.34 1faf n TRP 59 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1faf h GLY 60 N 4.83 -0.02 0.71 5.87 0.00 -0.17 -2.31 103.07 111.97 1faf h GLY 60 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1faf h GLY 60 CO 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 176.54 176.44 1faf h THR 61 N -0.67 0.76 -0.85 4.70 1.03 -1.71 -1.05 112.91 115.11 1faf h THR 61 Ca -0.00 0.00 0.17 0.00 -0.01 0.00 0.00 66.41 66.57 1faf h THR 61 Cb 0.02 0.76 -0.16 0.00 -1.07 0.00 0.00 68.15 67.69 1faf h THR 61 CO 0.00 0.00 -0.21 0.15 -0.01 0.00 0.00 175.52 175.45 1faf h PHE 62 N -0.13 -0.46 -0.72 0.00 3.57 -1.71 0.64 116.94 118.13 1faf h PHE 62 Ca 0.05 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.72 1faf h PHE 62 Cb 0.20 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 1faf h PHE 62 CO -0.18 -0.37 0.37 -0.22 -2.23 0.00 0.00 178.31 175.69 1faf h LYS 63 N -0.00 0.62 -1.10 1.11 3.64 -0.62 0.18 116.57 120.40 1faf h LYS 63 Ca 0.41 -0.04 0.31 0.00 -1.27 0.00 0.00 60.65 60.06 1faf h LYS 63 Cb 0.62 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.19 1faf h LYS 63 CO -0.88 0.41 0.70 1.15 -2.27 0.00 0.00 179.45 178.57 1faf h THR 64 N 0.64 0.42 0.03 1.00 2.02 0.11 1.19 112.91 118.31 1faf h THR 64 Ca 0.35 -0.11 -0.27 0.00 0.77 0.00 0.00 66.41 67.15 1faf h THR 64 Cb 0.34 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1faf h THR 64 CO -0.25 0.06 -1.43 -0.33 0.37 0.00 0.00 175.52 173.94 1faf h GLU 65 N 0.32 0.06 -0.88 6.66 4.39 -0.87 -3.32 114.58 120.93 1faf h GLU 65 Ca 0.66 -0.09 0.19 0.00 0.34 0.00 0.00 59.36 60.46 1faf h GLU 65 Cb 1.75 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 1faf h GLU 65 CO -0.35 0.81 0.58 0.28 -1.16 0.00 0.00 179.01 179.18 1faf h VAL 66 N 0.02 0.70 0.00 3.13 2.07 0.42 0.70 116.25 123.28 1faf h VAL 66 Ca -0.18 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1faf h VAL 66 Cb 1.93 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1faf h VAL 66 CO 0.11 0.08 -0.40 1.88 0.02 0.00 0.00 177.57 179.26 1faf h TYR 67 N 0.42 0.00 0.00 1.57 -1.99 -1.30 -2.90 116.97 112.77 1faf h TYR 67 Ca 0.46 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.14 1faf h TYR 67 Cb 1.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 1faf h TYR 67 CO -0.00 0.40 -1.21 0.09 -0.00 0.00 0.00 178.16 177.44 1faf n ASN 68 N -3.79 0.78 -0.13 3.88 3.02 0.19 -4.10 115.26 115.10 1faf n ASN 68 Ca -0.01 0.31 0.04 0.00 -0.03 0.00 0.00 54.58 54.89 1faf n ASN 68 Cb 0.47 0.50 0.35 0.00 -0.61 0.00 0.00 39.78 40.49 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 0.65 0.00 3.41 8.10 0.19 -0.04 115.31 127.62 1faf h LEU 69 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1faf h LEU 69 Cb 1.17 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 41.24 1faf h LEU 69 CO 0.01 0.45 0.00 0.54 -4.11 0.00 0.00 178.44 175.33 1faf n ARG 70 N -4.46 0.55 -0.06 0.17 1.74 -1.24 -2.22 116.66 111.13 1faf n ARG 70 Ca 0.08 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1faf n ARG 70 Cb 0.14 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.75 -1.84 5.56 2.81 -0.04 -4.94 117.12 119.48 1faf n MET 71 Ca 0.12 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.56 1faf n MET 71 Cb 0.05 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 -4.54 5.85 -0.21 7.83 0.02 -0.94 -4.84 114.94 118.11 1faf s ASN 72 Ca -0.06 1.71 0.15 0.00 -1.02 0.00 0.00 52.86 53.63 1faf s ASN 72 Cb 0.04 -2.52 0.49 0.00 0.02 0.00 0.00 41.25 39.28 1faf s ASN 72 CO 0.54 -1.67 1.39 0.18 0.02 0.00 0.00 177.10 177.56 1faf n LEU 73 N 10.28 3.71 0.00 0.60 4.77 -1.26 -4.99 117.00 130.12 1faf n LEU 73 Ca 0.25 -3.27 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 1faf n LEU 73 Cb 0.45 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1faf n LEU 73 CO 0.67 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.20 1faf n GLY 74 N -0.85 1.96 2.75 -0.72 0.00 -1.26 -5.12 105.19 101.95 1faf n GLY 74 Ca 0.24 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 0.44 -0.04 3.66 -0.02 0.00 -1.26 -5.12 105.19 102.84 1faf n GLY 75 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 0.67 4.75 0.00 2.61 -4.23 -1.26 -3.47 115.64 114.71 1faf s THR 76 Ca 0.32 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.73 1faf s THR 76 Cb 0.23 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1faf s THR 76 CO -0.24 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1faf n GLY 77 N 3.38 1.19 3.48 3.99 0.00 -1.26 -5.08 105.19 110.90 1faf n GLY 77 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.02 -2.68 1.61 5.36 -1.23 -5.35 117.98 116.72 1faf s PHE 78 Ca 0.00 -0.28 0.27 0.00 -0.96 0.00 0.00 56.93 55.96 1faf s PHE 78 Cb 0.00 -3.53 0.74 0.00 -0.34 0.00 0.00 43.02 39.89 1faf s PHE 78 CO 0.00 -1.01 1.57 0.94 -1.46 0.00 0.00 175.22 175.26