#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 5.34 -1.10 7.83 1.11 -1.26 -4.94 116.67 123.65 1faf s ASP 2 Ca 0.00 2.75 -0.08 0.00 0.18 0.00 0.00 52.55 55.41 1faf s ASP 2 Cb 0.00 -2.64 0.28 0.00 1.07 0.00 0.00 42.92 41.64 1faf s ASP 2 CO 0.00 -1.52 1.19 0.54 1.18 0.00 0.00 175.17 176.56 1faf n ARG 3 N -0.96 3.72 -4.29 8.23 1.74 -1.26 -4.98 116.66 118.86 1faf n ARG 3 Ca 0.10 -4.48 -0.23 0.00 -0.77 0.00 0.00 57.85 52.47 1faf n ARG 3 Cb 0.45 -2.54 -0.17 0.00 -1.02 0.00 0.00 32.46 29.19 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 -1.62 0.82 0.20 1.55 -7.23 -1.26 -4.87 120.40 107.99 1faf s VAL 4 Ca 0.31 -0.27 -0.15 0.00 -1.81 0.00 0.00 61.98 60.05 1faf s VAL 4 Cb -0.07 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 36.00 1faf s VAL 4 CO -0.04 0.29 0.62 -1.48 -0.31 0.00 0.00 175.10 174.18 1faf s LEU 5 N 0.94 4.28 0.00 1.32 2.34 -1.26 -5.09 118.68 121.21 1faf s LEU 5 Ca -0.10 1.18 -0.01 0.00 0.06 0.00 0.00 54.13 55.26 1faf s LEU 5 Cb -0.15 -3.52 0.02 0.00 -0.56 0.00 0.00 46.19 41.99 1faf s LEU 5 CO 0.01 0.02 0.13 -1.54 -1.06 0.00 0.00 176.35 173.90 1faf n SER 6 N 0.51 0.11 0.08 1.48 3.41 -1.26 -4.84 113.62 113.10 1faf n SER 6 Ca -0.03 -1.10 0.03 0.00 -0.26 0.00 0.00 58.87 57.51 1faf n SER 6 Cb 0.52 -0.09 0.41 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.36 -0.17 4.33 -0.00 -2.00 -2.10 114.38 114.81 1faf h ARG 7 Ca -0.04 -0.05 -0.11 0.00 -0.00 0.00 0.00 59.98 59.77 1faf h ARG 7 Cb 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.03 1faf h ARG 7 CO 0.04 0.36 -0.39 0.00 -0.00 0.00 0.00 179.97 179.98 1faf h ALA 8 N 1.69 1.02 0.37 0.08 0.00 -1.98 -1.44 119.26 119.00 1faf h ALA 8 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1faf h ALA 8 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1faf h ALA 8 CO 0.00 0.61 -0.18 -0.44 0.00 0.00 0.00 179.25 179.24 1faf h ASP 9 N 0.32 -0.42 -0.47 0.00 5.19 -1.74 -1.83 116.42 117.46 1faf h ASP 9 Ca 0.03 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1faf h ASP 9 Cb 0.83 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 1faf h ASP 9 CO 0.07 0.01 0.31 0.07 -3.12 0.00 0.00 179.24 176.57 1faf h LYS 10 N -0.97 0.62 0.00 3.56 5.09 -1.52 0.12 116.57 123.47 1faf h LYS 10 Ca -0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.61 1faf h LYS 10 Cb 0.53 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.71 1faf h LYS 10 CO 0.08 0.42 -0.18 1.05 -2.09 0.00 0.00 179.45 178.73 1faf h GLU 11 N 0.64 0.00 0.08 0.07 -0.00 -1.35 -1.33 114.58 112.69 1faf h GLU 11 Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.28 1faf h GLU 11 Cb -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.68 1faf h GLU 11 CO -0.04 0.18 -1.13 -0.09 -0.00 0.00 0.00 179.01 177.94 1faf h ARG 12 N 0.00 0.26 -0.16 1.06 9.65 -0.61 -3.05 114.38 121.53 1faf h ARG 12 Ca -0.00 -0.39 -0.07 0.00 -1.10 0.00 0.00 59.98 58.41 1faf h ARG 12 Cb 0.32 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1faf h ARG 12 CO 0.02 1.15 -0.23 1.25 2.80 0.00 0.00 179.97 184.97 1faf h LEU 13 N 0.10 0.28 -0.70 3.80 5.85 -0.13 -2.45 115.31 122.05 1faf h LEU 13 Ca -0.10 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.41 1faf h LEU 13 Cb 1.83 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1faf h LEU 13 CO 0.18 0.52 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.31 1faf h LEU 14 N 0.26 0.54 -0.43 2.25 3.38 -1.26 -1.85 115.31 118.20 1faf h LEU 14 Ca 0.04 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1faf h LEU 14 Cb 0.55 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1faf h LEU 14 CO 0.04 0.89 0.24 -0.33 0.09 0.00 0.00 178.44 179.37 1faf h GLU 15 N 0.42 0.46 0.00 1.13 4.39 -1.33 0.56 114.58 120.21 1faf h GLU 15 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1faf h GLU 15 Cb 0.91 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1faf h GLU 15 CO 0.08 0.30 0.00 -0.07 -1.16 0.00 0.00 179.01 178.16 1faf h LEU 16 N 0.47 0.00 -0.01 1.33 3.38 -1.45 -2.97 115.31 116.07 1faf h LEU 16 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1faf h LEU 16 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1faf h LEU 16 CO -0.11 0.00 -0.51 0.18 0.09 0.00 0.00 178.44 178.10 1faf n LEU 17 N -2.51 0.52 -1.61 1.67 7.99 -0.35 -4.76 117.00 117.96 1faf n LEU 17 Ca 0.04 -0.01 -0.12 0.00 -0.01 0.00 0.00 56.01 55.91 1faf n LEU 17 Cb 0.38 -0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.41 1faf n LEU 17 CO 0.28 0.13 -0.12 0.29 -1.51 0.00 0.00 177.39 176.45 1faf n LYS 18 N -1.49 -1.50 -3.86 3.23 4.01 0.04 -4.69 118.16 113.91 1faf n LYS 18 Ca 0.06 0.67 -0.36 0.00 -0.51 0.00 0.00 58.31 58.17 1faf n LYS 18 Cb 0.34 -4.98 -0.13 0.00 -0.51 0.00 0.00 35.03 29.74 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 -4.05 3.84 1.03 -0.35 0.20 -1.17 -5.08 118.68 113.10 1faf s LEU 19 Ca 0.00 -1.08 -0.21 0.00 0.69 0.00 0.00 54.13 53.53 1faf s LEU 19 Cb 0.00 -1.76 -0.06 0.00 -0.43 0.00 0.00 46.19 43.94 1faf s LEU 19 CO 0.00 -0.24 -0.67 -2.65 -0.29 0.00 0.00 176.35 172.50 1faf n PRO 20 N 4.71 -0.53 0.00 0.98 -0.02 -1.26 -4.77 135.00 134.11 1faf n PRO 20 Ca -0.14 -0.14 0.14 0.00 -2.02 0.00 0.00 63.50 61.33 1faf n PRO 20 Cb 0.45 -1.33 0.48 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.52 1.10 0.08 -0.52 1.74 -1.26 -3.88 116.66 114.43 1faf n ARG 21 Ca 0.00 -0.60 -0.08 0.00 -0.77 0.00 0.00 57.85 56.40 1faf n ARG 21 Cb 0.65 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.45 0.08 -0.39 5.56 5.75 -2.06 -3.22 115.11 122.29 1faf h GLN 22 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1faf h GLN 22 Cb 0.47 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1faf h GLN 22 CO 0.00 1.00 0.00 1.47 -2.65 0.00 0.00 178.83 178.65 1faf n LEU 23 N -3.47 4.53 0.25 -2.39 -0.00 -1.25 -4.60 117.00 110.08 1faf n LEU 23 Ca -0.02 -2.94 0.13 0.00 -0.00 0.00 0.00 56.01 53.18 1faf n LEU 23 Cb 0.91 -0.59 0.71 0.00 -0.00 0.00 0.00 43.42 44.45 1faf n LEU 23 CO 0.48 0.67 0.99 -0.25 -0.00 0.00 0.00 177.39 179.27 1faf h TRP 24 N 2.65 0.00 0.00 1.47 2.91 -1.67 0.81 115.95 122.12 1faf h TRP 24 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1faf h TRP 24 Cb 1.61 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.26 1faf h TRP 24 CO 0.71 0.00 -0.03 0.78 -1.03 0.00 0.00 178.44 178.86 1faf h GLY 25 N 0.00 0.00 -5.08 2.65 0.00 -1.87 -3.45 103.07 95.33 1faf h GLY 25 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1faf h GLY 25 CO 0.00 0.00 0.34 -0.35 0.00 0.00 0.00 176.54 176.53 1faf s ASP 26 N -6.12 7.06 -0.01 0.19 -1.08 0.28 -4.95 116.67 112.03 1faf s ASP 26 Ca 0.07 1.29 -0.14 0.00 -0.52 0.00 0.00 52.55 53.25 1faf s ASP 26 Cb 0.05 -2.47 -0.33 0.00 -1.46 0.00 0.00 42.92 38.71 1faf s ASP 26 CO 0.67 -0.32 0.84 0.15 0.52 0.00 0.00 175.17 177.03 1faf h PHE 27 N 7.10 0.85 0.00 -5.34 3.57 -1.86 -3.20 116.94 118.05 1faf h PHE 27 Ca -0.34 -0.62 -0.04 0.00 3.53 0.00 0.00 57.97 60.51 1faf h PHE 27 Cb 1.16 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1faf h PHE 27 CO 0.70 1.61 -0.18 0.78 -2.23 0.00 0.00 178.31 178.99 1faf h GLY 28 N 0.34 0.00 0.25 2.40 0.00 -1.97 -1.74 103.07 102.35 1faf h GLY 28 Ca -0.29 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1faf h GLY 28 CO 0.22 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.97 1faf h ARG 29 N 0.00 -0.01 -0.21 4.80 2.47 -1.93 -2.65 114.38 116.85 1faf h ARG 29 Ca -0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1faf h ARG 29 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1faf h ARG 29 CO 0.02 0.73 0.11 0.00 0.56 0.00 0.00 179.97 181.39 1faf h MET 30 N -0.75 0.23 -0.61 0.04 -0.00 -1.53 -2.21 114.93 110.09 1faf h MET 30 Ca -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1faf h MET 30 Cb 0.74 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.60 32.26 1faf h MET 30 CO 0.00 0.15 0.40 0.37 -0.00 0.00 0.00 176.91 177.83 1faf h GLN 31 N 0.23 0.81 -0.74 -0.10 4.15 -1.43 0.27 115.11 118.30 1faf h GLN 31 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1faf h GLN 31 Cb 0.01 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 1faf h GLN 31 CO -0.05 0.54 0.46 1.96 -1.93 0.00 0.00 178.83 179.81 1faf h GLN 32 N 0.83 0.99 0.10 1.69 4.20 -1.03 -2.27 115.11 119.62 1faf h GLN 32 Ca 0.22 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 58.56 1faf h GLN 32 Cb -0.09 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.50 1faf h GLN 32 CO -0.05 0.68 -1.22 0.00 -0.67 0.00 0.00 178.83 177.58 1faf h ALA 33 N 1.25 0.01 -0.68 3.87 0.00 -0.88 -2.60 119.26 120.23 1faf h ALA 33 Ca 0.27 -0.76 0.14 0.00 0.00 0.00 0.00 54.91 54.56 1faf h ALA 33 Cb -0.07 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1faf h ALA 33 CO -0.05 0.69 0.11 -0.92 0.00 0.00 0.00 179.25 179.07 1faf h TYR 34 N 0.30 0.15 -0.00 0.00 5.03 -0.25 1.03 116.97 123.23 1faf h TYR 34 Ca -0.18 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 61.01 1faf h TYR 34 Cb 1.89 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 40.18 1faf h TYR 34 CO 0.11 -0.11 -0.78 0.87 -1.32 0.00 0.00 178.16 176.93 1faf h LYS 35 N 0.21 0.01 -0.02 1.82 1.57 -1.49 -0.88 116.57 117.80 1faf h LYS 35 Ca 0.37 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.99 1faf h LYS 35 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1faf h LYS 35 CO -0.51 0.79 -0.67 0.37 -0.57 0.00 0.00 179.45 178.86 1faf h GLN 36 N 0.01 0.08 0.00 3.15 4.15 -0.39 -3.09 115.11 119.01 1faf h GLN 36 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1faf h GLN 36 Cb 1.38 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1faf h GLN 36 CO 0.10 0.71 -0.98 1.04 -1.93 0.00 0.00 178.83 177.78 1faf n GLN 37 N -3.78 0.57 0.19 1.69 1.13 0.33 -3.87 117.38 113.65 1faf n GLN 37 Ca -0.02 0.12 0.05 0.00 -1.94 0.00 0.00 57.00 55.21 1faf n GLN 37 Cb 0.66 -1.81 0.38 0.00 0.11 0.00 0.00 30.24 29.58 1faf n GLN 37 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1faf h SER 38 N 0.00 0.00 0.77 1.08 4.64 -1.08 -1.27 113.55 117.69 1faf h SER 38 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1faf h SER 38 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1faf h SER 38 CO 0.00 0.36 -0.77 -0.07 -0.87 0.00 0.00 176.83 175.48 1faf h LEU 39 N 0.00 0.00 0.00 5.97 3.38 -1.66 -3.03 115.31 119.97 1faf h LEU 39 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1faf h LEU 39 Cb 0.76 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1faf h LEU 39 CO 0.05 0.77 -0.92 0.17 0.09 0.00 0.00 178.44 178.61 1faf h LEU 40 N 0.00 0.00 -2.21 1.67 8.10 -1.66 -3.30 115.31 117.92 1faf h LEU 40 Ca -0.01 -0.06 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1faf h LEU 40 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.59 1faf h LEU 40 CO 0.10 0.03 0.00 0.18 -4.11 0.00 0.00 178.44 174.64 1faf n LEU 41 N -2.54 3.28 -4.75 0.17 4.77 -0.50 -4.27 117.00 113.16 1faf n LEU 41 Ca 0.01 -1.65 -0.40 0.00 -0.03 0.00 0.00 56.01 53.94 1faf n LEU 41 Cb 0.52 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1faf n LEU 41 CO 0.39 0.68 0.50 -2.28 -1.33 0.00 0.00 177.39 175.35 1faf s HIS 42 N -1.52 3.80 -0.10 -1.77 2.46 -1.15 -4.37 115.29 112.63 1faf s HIS 42 Ca 0.37 1.57 0.22 0.00 0.47 0.00 0.00 55.06 57.70 1faf s HIS 42 Cb 0.22 -2.84 1.21 0.00 -0.13 0.00 0.00 32.58 31.03 1faf s HIS 42 CO 0.21 0.33 1.67 -1.00 -2.47 0.00 0.00 174.74 173.48 1faf h PRO 43 N 5.26 0.00 0.00 2.88 0.13 -1.88 0.29 132.00 138.68 1faf h PRO 43 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1faf h PRO 43 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1faf h PRO 43 CO 0.70 0.00 -0.78 0.22 -0.23 0.00 0.00 178.00 177.91 1faf h ASP 44 N 0.00 0.00 -0.82 1.44 1.82 -1.92 -3.32 116.42 113.62 1faf h ASP 44 Ca 0.00 0.00 -0.44 0.00 -0.39 0.00 0.00 57.03 56.20 1faf h ASP 44 Cb 0.08 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 39.84 1faf h ASP 44 CO 0.00 0.17 0.45 0.29 -1.61 0.00 0.00 179.24 178.54 1faf n LYS 45 N -2.88 2.18 -3.27 0.28 4.01 0.04 -4.91 118.16 113.61 1faf n LYS 45 Ca -0.01 -3.10 -0.16 0.00 -0.51 0.00 0.00 58.31 54.54 1faf n LYS 45 Cb 0.62 -2.09 0.07 0.00 -0.51 0.00 0.00 35.03 33.12 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 -0.26 3.68 0.72 0.00 -1.22 -4.87 105.19 102.11 1faf n GLY 46 Ca 0.53 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.95 2.28 0.08 -0.02 0.00 -0.92 -5.00 107.32 99.81 1faf s GLY 47 Ca 0.12 -2.11 -0.17 0.00 0.00 0.00 0.00 44.72 42.56 1faf s GLY 47 CO 0.62 -1.95 0.54 -0.56 0.00 0.00 0.00 173.10 171.75 1faf s SER 48 N -3.80 6.96 0.11 1.64 0.01 -1.26 -4.35 113.70 113.02 1faf s SER 48 Ca 0.38 1.17 -0.10 0.00 1.31 0.00 0.00 55.95 58.70 1faf s SER 48 Cb 0.04 -2.33 -0.13 0.00 0.21 0.00 0.00 66.02 63.81 1faf s SER 48 CO 0.20 0.23 1.30 1.12 0.41 0.00 0.00 173.24 176.51 1faf h HIS 49 N 4.28 0.95 -0.15 2.43 2.07 -1.97 -3.12 115.15 119.64 1faf h HIS 49 Ca -0.50 -0.45 0.04 0.00 -2.85 0.00 0.00 60.37 56.62 1faf h HIS 49 Cb 1.21 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 1faf h HIS 49 CO 0.68 1.27 0.18 0.00 -3.07 0.00 0.00 177.93 176.99 1faf h ALA 50 N 0.60 1.74 0.00 6.11 0.00 -1.95 -1.22 119.26 124.53 1faf h ALA 50 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1faf h ALA 50 Cb 1.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1faf h ALA 50 CO 0.17 -0.26 -0.00 -0.07 0.00 0.00 0.00 179.25 179.08 1faf h LEU 51 N 0.00 -0.00 -0.52 0.00 4.07 -1.91 -3.06 115.31 113.89 1faf h LEU 51 Ca 0.07 -0.98 -0.00 0.00 0.08 0.00 0.00 57.88 57.05 1faf h LEU 51 Cb 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1faf h LEU 51 CO -0.00 0.99 0.33 -0.03 -1.08 0.00 0.00 178.44 178.64 1faf h MET 52 N -0.99 0.70 0.00 1.13 4.05 -1.43 -1.00 114.93 117.39 1faf h MET 52 Ca -0.00 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1faf h MET 52 Cb 0.98 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.63 1faf h MET 52 CO 0.00 0.50 -0.10 -0.56 0.23 0.00 0.00 176.91 176.97 1faf h GLN 53 N 0.70 0.00 0.17 0.39 3.07 -1.38 -2.72 115.11 115.34 1faf h GLN 53 Ca 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.70 1faf h GLN 53 Cb -0.04 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.55 1faf h GLN 53 CO -0.04 0.10 -1.02 0.93 0.09 0.00 0.00 178.83 178.89 1faf h GLU 54 N 0.00 0.39 -0.18 0.06 4.39 -1.22 -3.13 114.58 114.89 1faf h GLU 54 Ca -0.00 -0.65 0.04 0.00 0.34 0.00 0.00 59.36 59.09 1faf h GLU 54 Cb 0.28 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1faf h GLU 54 CO 0.01 1.31 -0.04 1.25 -1.16 0.00 0.00 179.01 180.38 1faf h LEU 55 N -0.19 -0.16 -1.65 1.33 5.85 -0.92 0.74 115.31 120.30 1faf h LEU 55 Ca -0.18 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1faf h LEU 55 Cb 1.80 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1faf h LEU 55 CO 0.19 -0.06 0.01 0.78 -0.34 0.00 0.00 178.44 179.03 1faf h ASN 56 N 0.00 0.20 0.62 1.25 2.35 -1.63 0.92 115.58 119.29 1faf h ASN 56 Ca 0.09 -0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.54 1faf h ASN 56 Cb 0.13 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1faf h ASN 56 CO -0.18 0.24 -1.26 -1.28 -1.65 0.00 0.00 177.43 173.30 1faf h SER 57 N 0.23 0.44 1.29 5.81 0.87 -1.23 -1.01 113.55 119.95 1faf h SER 57 Ca 0.06 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 60.05 1faf h SER 57 Cb 0.14 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1faf h SER 57 CO 0.00 1.37 -0.74 -0.07 -0.53 0.00 0.00 176.83 176.86 1faf h LEU 58 N 0.08 0.00 0.00 2.23 3.38 0.98 -3.14 115.31 118.83 1faf h LEU 58 Ca -0.14 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1faf h LEU 58 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1faf h LEU 58 CO 0.20 0.41 -1.35 -0.25 0.09 0.00 0.00 178.44 177.55 1faf h TRP 59 N 0.00 0.00 0.31 1.13 2.91 0.79 -3.19 115.95 117.90 1faf h TRP 59 Ca -0.05 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 1faf h TRP 59 Cb 1.36 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 1faf h TRP 59 CO 0.00 0.50 -0.15 0.78 -1.03 0.00 0.00 178.44 178.54 1faf h GLY 60 N 3.75 -0.44 0.31 2.65 0.00 -1.25 0.12 103.07 108.22 1faf h GLY 60 Ca -0.14 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1faf h GLY 60 CO 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 176.54 176.54 1faf h THR 61 N -0.94 0.71 -0.45 4.70 1.03 -1.75 0.13 112.91 116.34 1faf h THR 61 Ca -0.04 -0.09 0.09 0.00 -0.01 0.00 0.00 66.41 66.36 1faf h THR 61 Cb 0.32 0.42 -0.10 0.00 -1.07 0.00 0.00 68.15 67.73 1faf h THR 61 CO 0.07 0.05 -0.24 0.15 -0.01 0.00 0.00 175.52 175.54 1faf h PHE 62 N 0.26 -0.63 -0.88 0.00 3.57 -1.63 0.16 116.94 117.80 1faf h PHE 62 Ca 0.27 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.93 1faf h PHE 62 Cb 0.37 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1faf h PHE 62 CO -0.23 -0.32 0.57 0.87 -2.23 0.00 0.00 178.31 176.97 1faf h LYS 63 N -0.15 0.81 -1.02 1.11 1.57 0.18 -0.54 116.57 118.53 1faf h LYS 63 Ca 0.21 -0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.22 1faf h LYS 63 Cb 0.48 -0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.48 1faf h LYS 63 CO -0.54 0.54 0.61 1.15 -0.57 0.00 0.00 179.45 180.64 1faf h THR 64 N 0.84 0.45 0.01 -0.16 2.02 0.12 0.83 112.91 117.01 1faf h THR 64 Ca 0.41 -0.16 -0.26 0.00 0.77 0.00 0.00 66.41 67.18 1faf h THR 64 Cb 0.45 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1faf h THR 64 CO -0.18 0.08 -1.40 -0.33 0.37 0.00 0.00 175.52 174.07 1faf h GLU 65 N 0.46 0.01 -0.91 6.66 4.39 -1.12 -3.34 114.58 120.73 1faf h GLU 65 Ca 0.67 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.48 1faf h GLU 65 Cb 1.45 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.02 1faf h GLU 65 CO -0.49 0.74 0.54 0.28 -1.16 0.00 0.00 179.01 178.92 1faf h VAL 66 N 0.00 0.87 -0.06 3.13 2.07 0.20 0.88 116.25 123.34 1faf h VAL 66 Ca -0.16 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1faf h VAL 66 Cb 1.91 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1faf h VAL 66 CO 0.10 0.15 -0.17 1.88 0.02 0.00 0.00 177.57 179.56 1faf h TYR 67 N 0.84 0.09 0.00 1.57 0.05 -1.22 -2.45 116.97 115.85 1faf h TYR 67 Ca 0.46 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.17 1faf h TYR 67 Cb 0.50 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1faf h TYR 67 CO -0.04 0.26 -1.20 0.09 -1.05 0.00 0.00 178.16 176.22 1faf n ASN 68 N -4.29 0.81 0.08 3.88 3.02 0.37 -4.05 115.26 115.07 1faf n ASN 68 Ca -0.02 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.92 1faf n ASN 68 Cb 0.26 0.43 0.51 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.29 0.00 3.41 8.10 0.12 0.25 115.31 127.48 1faf h LEU 69 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1faf h LEU 69 Cb 1.21 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 1faf h LEU 69 CO 0.02 0.21 0.00 0.54 -4.11 0.00 0.00 178.44 175.09 1faf n ARG 70 N -4.49 0.62 0.05 0.17 1.74 -1.22 -3.93 116.66 109.61 1faf n ARG 70 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1faf n ARG 70 Cb 0.11 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.96 0.00 -2.32 5.56 2.81 0.06 -5.06 117.12 117.22 1faf n MET 71 Ca 0.14 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.62 1faf n MET 71 Cb 0.06 -0.30 -0.03 0.00 -0.71 0.00 0.00 33.22 32.24 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 -5.55 7.04 -0.09 7.83 0.01 0.67 -4.94 114.94 119.90 1faf s ASN 72 Ca 0.00 2.39 0.03 0.00 -0.71 0.00 0.00 52.86 54.57 1faf s ASN 72 Cb 0.00 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 1faf s ASN 72 CO 0.00 -0.36 -0.05 -0.11 -1.51 0.00 0.00 177.10 175.08 1faf n LEU 73 N 1.65 1.85 0.00 0.60 0.00 -1.26 -4.62 117.00 115.22 1faf n LEU 73 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1faf n LEU 73 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.71 1faf n LEU 73 CO 0.56 0.49 0.00 0.61 0.00 0.00 0.00 177.39 179.05 1faf n GLY 74 N 2.83 1.26 0.00 -3.96 0.00 -1.26 -5.09 105.19 98.96 1faf n GLY 74 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.25 0.54 0.95 -0.02 0.00 -1.26 -4.88 105.19 100.26 1faf n GLY 75 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1faf n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1faf n THR 76 N 0.00 0.95 0.00 2.61 -2.24 -1.26 -4.94 114.28 109.40 1faf n THR 76 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1faf n THR 76 Cb 0.00 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1faf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1faf n GLY 77 N 0.71 1.61 3.84 3.38 0.00 -1.26 -4.91 105.19 108.57 1faf n GLY 77 Ca 0.13 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1faf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1faf s PHE 78 N 0.00 3.38 0.00 1.61 0.40 -1.26 -4.95 117.98 117.17 1faf s PHE 78 Ca 0.00 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1faf s PHE 78 Cb 0.00 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1faf s PHE 78 CO 0.00 -0.14 0.14 0.94 0.70 0.00 0.00 175.22 176.86