#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 6.97 -0.81 6.12 2.15 -1.26 -4.97 116.67 124.87 1faf s ASP 2 Ca 0.00 2.08 -0.16 0.00 0.43 0.00 0.00 52.55 54.90 1faf s ASP 2 Cb 0.00 -2.57 0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1faf s ASP 2 CO 0.00 -0.57 0.86 -0.13 -0.17 0.00 0.00 175.17 175.16 1faf s ARG 3 N 1.46 3.48 -0.10 4.34 0.52 -1.26 -5.01 118.95 122.38 1faf s ARG 3 Ca 0.61 -2.00 0.01 0.00 -0.52 0.00 0.00 55.73 53.83 1faf s ARG 3 Cb -0.31 -4.55 0.02 0.00 0.52 0.00 0.00 34.95 30.63 1faf s ARG 3 CO 0.28 -1.49 -0.13 0.14 0.02 0.00 0.00 175.30 174.11 1faf s VAL 4 N 1.49 1.34 0.29 3.52 -7.23 -1.26 -4.56 120.40 113.99 1faf s VAL 4 Ca 0.21 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.70 1faf s VAL 4 Cb -0.12 -1.24 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 1faf s VAL 4 CO -0.06 0.41 0.67 -1.48 -0.31 0.00 0.00 175.10 174.33 1faf s LEU 5 N 1.06 4.10 0.00 1.32 2.34 -1.26 -5.09 118.68 121.15 1faf s LEU 5 Ca -0.06 1.16 -0.04 0.00 0.06 0.00 0.00 54.13 55.25 1faf s LEU 5 Cb -0.15 -3.94 0.08 0.00 -0.56 0.00 0.00 46.19 41.63 1faf s LEU 5 CO -0.02 -0.16 0.54 -1.54 -1.06 0.00 0.00 176.35 174.11 1faf n SER 6 N -0.27 0.36 -0.09 1.48 3.41 -1.26 -4.73 113.62 112.52 1faf n SER 6 Ca 0.02 -1.39 0.07 0.00 -0.26 0.00 0.00 58.87 57.31 1faf n SER 6 Cb 0.53 -0.38 0.41 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.59 -0.55 4.33 0.11 -1.98 -0.08 114.38 116.79 1faf h ARG 7 Ca -0.18 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.79 1faf h ARG 7 Cb 0.56 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 1faf h ARG 7 CO 0.15 0.39 0.02 0.00 0.10 0.00 0.00 179.97 180.63 1faf h ALA 8 N 1.68 0.74 0.14 0.08 0.00 -1.98 0.17 119.26 120.09 1faf h ALA 8 Ca 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1faf h ALA 8 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1faf h ALA 8 CO -0.07 0.55 -0.07 -0.44 0.00 0.00 0.00 179.25 179.22 1faf h ASP 9 N 0.84 -0.16 -0.39 0.00 5.19 -1.68 -2.32 116.42 117.90 1faf h ASP 9 Ca 0.16 -0.38 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1faf h ASP 9 Cb 0.51 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1faf h ASP 9 CO 0.02 0.38 0.17 0.07 -3.12 0.00 0.00 179.24 176.75 1faf h LYS 10 N -0.78 0.64 -0.65 3.56 5.09 -1.09 -1.04 116.57 122.31 1faf h LYS 10 Ca -0.02 -0.09 -0.09 0.00 0.09 0.00 0.00 60.65 60.54 1faf h LYS 10 Cb 0.54 -0.12 -0.02 0.00 0.10 0.00 0.00 32.23 32.72 1faf h LYS 10 CO 0.03 0.55 0.06 1.49 -2.09 0.00 0.00 179.45 179.49 1faf h GLU 11 N 0.64 1.11 -0.06 0.07 4.57 -0.70 -2.39 114.58 117.82 1faf h GLU 11 Ca 0.15 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.92 1faf h GLU 11 Cb 0.15 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1faf h GLU 11 CO -0.01 1.04 -0.42 -0.09 -1.18 0.00 0.00 179.01 178.35 1faf h ARG 12 N 1.02 0.12 0.00 1.92 9.65 -0.80 -2.32 114.38 123.97 1faf h ARG 12 Ca 0.19 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1faf h ARG 12 Cb 0.50 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1faf h ARG 12 CO 0.02 0.52 -0.27 1.25 2.80 0.00 0.00 179.97 184.29 1faf h LEU 13 N 0.10 0.00 -0.07 3.80 5.85 -0.73 -2.69 115.31 121.57 1faf h LEU 13 Ca 0.01 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.48 1faf h LEU 13 Cb 0.78 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1faf h LEU 13 CO 0.06 0.27 -1.01 -0.07 -0.34 0.00 0.00 178.44 177.35 1faf h LEU 14 N 0.00 0.74 -0.09 2.25 3.38 -0.96 -2.71 115.31 117.92 1faf h LEU 14 Ca -0.00 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.40 1faf h LEU 14 Cb 0.50 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1faf h LEU 14 CO 0.04 1.40 -0.15 -0.08 0.09 0.00 0.00 178.44 179.73 1faf h GLU 15 N 0.31 -0.20 0.00 1.13 4.81 -1.18 -0.06 114.58 119.39 1faf h GLU 15 Ca -0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1faf h GLU 15 Cb 1.66 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.09 1faf h GLU 15 CO 0.19 -0.13 0.00 1.28 -0.73 0.00 0.00 179.01 179.62 1faf n LEU 16 N -5.29 0.33 -0.00 1.64 4.77 -1.16 -2.67 117.00 114.61 1faf n LEU 16 Ca -0.03 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1faf n LEU 16 Cb 0.21 -0.48 0.24 0.00 -2.33 0.00 0.00 43.42 41.06 1faf n LEU 16 CO 0.23 -0.25 0.44 0.18 -1.33 0.00 0.00 177.39 176.66 1faf n LEU 17 N -1.84 0.52 -1.40 2.23 7.99 -0.17 -4.77 117.00 119.56 1faf n LEU 17 Ca 0.04 -0.02 -0.15 0.00 -0.01 0.00 0.00 56.01 55.88 1faf n LEU 17 Cb 0.28 -0.24 -0.06 0.00 -0.11 0.00 0.00 43.42 43.29 1faf n LEU 17 CO 0.22 0.13 -0.14 0.29 -1.51 0.00 0.00 177.39 176.38 1faf n LYS 18 N -1.50 -1.35 -3.79 3.23 4.01 -0.41 -4.76 118.16 113.59 1faf n LYS 18 Ca 0.05 0.88 -0.37 0.00 -0.51 0.00 0.00 58.31 58.36 1faf n LYS 18 Cb 0.33 -5.15 -0.13 0.00 -0.51 0.00 0.00 35.03 29.58 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 -3.88 4.27 1.06 -0.35 0.20 -1.18 -5.09 118.68 113.71 1faf s LEU 19 Ca 0.00 -1.23 -0.21 0.00 0.69 0.00 0.00 54.13 53.38 1faf s LEU 19 Cb 0.00 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.91 1faf s LEU 19 CO 0.00 -0.33 -0.57 -2.65 -0.29 0.00 0.00 176.35 172.51 1faf n PRO 20 N 4.76 -0.83 0.00 0.98 -0.02 -1.26 -4.75 135.00 133.87 1faf n PRO 20 Ca -0.12 -0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1faf n PRO 20 Cb 0.44 -1.42 0.41 0.00 -0.02 0.00 0.00 33.50 32.92 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 -0.12 1.12 0.08 -0.52 1.85 -1.26 -3.85 116.66 113.96 1faf n ARG 21 Ca 0.00 -0.66 -0.10 0.00 -1.00 0.00 0.00 57.85 56.08 1faf n ARG 21 Cb 0.66 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.51 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 1.62 0.16 -0.61 2.89 5.75 -2.05 -3.20 115.11 119.67 1faf h GLN 22 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1faf h GLN 22 Cb 0.51 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1faf h GLN 22 CO 0.00 1.04 0.00 1.47 -2.65 0.00 0.00 178.83 178.69 1faf n LEU 23 N -3.54 3.94 -4.54 -2.39 -0.00 -1.25 -4.96 117.00 104.27 1faf n LEU 23 Ca -0.04 -2.16 -0.41 0.00 -0.00 0.00 0.00 56.01 53.40 1faf n LEU 23 Cb 0.90 -0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 43.82 1faf n LEU 23 CO 0.49 0.87 1.97 1.87 -0.00 0.00 0.00 177.39 182.60 1faf n TRP 24 N 1.17 1.49 0.00 1.47 -0.00 -1.21 -2.73 117.44 117.62 1faf n TRP 24 Ca 0.22 0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.84 1faf n TRP 24 Cb 0.66 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.36 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 6.11 0.76 3.57 5.87 0.00 -1.26 -5.08 105.19 115.17 1faf n GLY 25 Ca 0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 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 6.18 0.26 1.61 -1.08 -1.11 -4.84 116.67 117.70 1faf s ASP 26 Ca 0.00 -1.50 -0.04 0.00 -0.52 0.00 0.00 52.55 50.49 1faf s ASP 26 Cb 0.00 -2.57 0.54 0.00 -1.46 0.00 0.00 42.92 39.43 1faf s ASP 26 CO 0.00 -1.81 1.63 0.15 0.52 0.00 0.00 175.17 175.66 1faf h PHE 27 N 9.67 0.05 -0.47 -5.34 3.57 -1.98 0.43 116.94 122.87 1faf h PHE 27 Ca 0.23 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.87 1faf h PHE 27 Cb 0.98 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1faf h PHE 27 CO 1.29 -0.25 0.32 0.78 -2.23 0.00 0.00 178.31 178.22 1faf h GLY 28 N 0.12 0.38 0.07 2.40 0.00 -1.99 0.15 103.07 104.21 1faf h GLY 28 Ca 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1faf h GLY 28 CO -0.69 0.08 -0.02 -0.09 0.00 0.00 0.00 176.54 175.82 1faf h ARG 29 N 0.29 -0.05 -0.14 4.80 2.43 -0.59 -2.91 114.38 118.21 1faf h ARG 29 Ca 0.22 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1faf h ARG 29 Cb 0.48 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1faf h ARG 29 CO -0.05 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.80 1faf h MET 30 N -0.98 0.05 -0.79 0.20 -0.00 -1.08 -2.20 114.93 110.13 1faf h MET 30 Ca -0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 59.70 59.76 1faf h MET 30 Cb 0.46 -0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 31.98 1faf h MET 30 CO 0.01 0.03 0.46 0.37 -0.00 0.00 0.00 176.91 177.79 1faf h GLN 31 N 0.05 0.80 -1.00 -0.10 4.15 -0.86 0.24 115.11 118.39 1faf h GLN 31 Ca 0.06 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.50 1faf h GLN 31 Cb 0.07 -0.18 -0.07 0.00 0.21 0.00 0.00 27.48 27.51 1faf h GLN 31 CO -0.10 0.53 0.65 0.37 -1.93 0.00 0.00 178.83 178.34 1faf h GLN 32 N 0.82 1.13 -0.11 1.69 5.75 -1.23 -1.72 115.11 121.45 1faf h GLN 32 Ca 0.36 -0.07 -0.23 0.00 -0.15 0.00 0.00 58.65 58.57 1faf h GLN 32 Cb 0.24 -0.25 0.01 0.00 1.07 0.00 0.00 27.48 28.55 1faf h GLN 32 CO -0.20 0.75 -0.83 0.00 -2.65 0.00 0.00 178.83 175.89 1faf h ALA 33 N 1.46 0.32 -0.70 3.38 0.00 -0.60 -2.75 119.26 120.38 1faf h ALA 33 Ca 0.44 -0.63 0.14 0.00 0.00 0.00 0.00 54.91 54.86 1faf h ALA 33 Cb 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 33 CO -0.18 0.70 0.20 -0.92 0.00 0.00 0.00 179.25 179.05 1faf h TYR 34 N 0.46 0.32 -0.14 0.00 5.03 0.30 0.63 116.97 123.58 1faf h TYR 34 Ca -0.07 0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.10 1faf h TYR 34 Cb 1.46 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 39.70 1faf h TYR 34 CO 0.08 -0.02 -0.66 0.87 -1.32 0.00 0.00 178.16 177.11 1faf h LYS 35 N 0.32 0.54 -0.33 1.82 1.79 -1.46 0.20 116.57 119.45 1faf h LYS 35 Ca 0.38 -0.39 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1faf h LYS 35 Cb 0.60 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1faf h LYS 35 CO -0.44 1.02 -0.21 0.37 -1.08 0.00 0.00 179.45 179.11 1faf h GLN 36 N 0.39 0.63 0.00 3.15 4.15 -0.74 -2.78 115.11 119.90 1faf h GLN 36 Ca -0.02 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.12 1faf h GLN 36 Cb 1.23 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1faf h GLN 36 CO 0.12 0.79 -1.08 1.96 -1.93 0.00 0.00 178.83 178.70 1faf h GLN 37 N 0.56 0.00 -0.10 1.69 1.08 0.23 -3.34 115.11 115.22 1faf h GLN 37 Ca 0.08 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.18 1faf h GLN 37 Cb 0.66 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1faf h GLN 37 CO 0.05 0.09 -0.42 0.77 -0.95 0.00 0.00 178.83 178.36 1faf h SER 38 N 0.00 0.25 -0.10 1.46 0.02 -0.44 -2.39 113.55 112.35 1faf h SER 38 Ca -0.04 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 1faf h SER 38 Cb 1.17 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1faf h SER 38 CO 0.01 0.65 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.79 1faf h LEU 39 N 0.20 0.73 -0.03 5.07 3.38 -1.62 -2.85 115.31 120.18 1faf h LEU 39 Ca 0.02 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1faf h LEU 39 Cb 0.83 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1faf h LEU 39 CO 0.07 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1faf n LEU 40 N -4.00 0.35 -0.69 1.67 -0.00 -1.14 -2.82 117.00 110.37 1faf n LEU 40 Ca -0.03 0.54 0.12 0.00 -0.00 0.00 0.00 56.01 56.64 1faf n LEU 40 Cb 0.58 -0.43 0.36 0.00 -0.00 0.00 0.00 43.42 43.92 1faf n LEU 40 CO 0.47 -0.11 0.77 0.18 -0.00 0.00 0.00 177.39 178.70 1faf n LEU 41 N -1.83 2.12 -4.82 1.47 4.77 -0.91 -3.82 117.00 113.97 1faf n LEU 41 Ca 0.06 -0.78 -0.38 0.00 -0.03 0.00 0.00 56.01 54.89 1faf n LEU 41 Cb 0.36 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1faf n LEU 41 CO 0.27 0.39 0.24 -2.28 -1.33 0.00 0.00 177.39 174.68 1faf s HIS 42 N -1.89 3.74 0.56 -1.77 2.46 -1.13 -3.77 115.29 113.50 1faf s HIS 42 Ca 0.34 1.18 0.37 0.00 0.47 0.00 0.00 55.06 57.43 1faf s HIS 42 Cb 0.20 -2.44 1.49 0.00 -0.13 0.00 0.00 32.58 31.70 1faf s HIS 42 CO 0.31 0.55 1.68 -1.35 -2.47 0.00 0.00 174.74 173.45 1faf h PRO 43 N 4.26 0.00 0.00 2.88 0.11 -1.88 0.84 132.00 138.20 1faf h PRO 43 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1faf h PRO 43 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1faf h PRO 43 CO 0.64 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.99 1faf h ASP 44 N 0.00 0.00 -0.10 -2.05 5.19 -1.92 -3.23 116.42 114.31 1faf h ASP 44 Ca 0.60 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.94 1faf h ASP 44 Cb 2.61 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 42.07 1faf h ASP 44 CO -0.01 0.00 -0.50 0.29 -3.12 0.00 0.00 179.24 175.90 1faf n LYS 45 N -3.06 1.81 -2.52 3.56 4.76 0.29 -5.00 118.16 118.00 1faf n LYS 45 Ca 0.03 -3.39 -0.04 0.00 -2.87 0.00 0.00 58.31 52.05 1faf n LYS 45 Cb 0.47 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.08 -1.08 3.09 0.72 0.00 -0.96 -4.61 105.19 101.28 1faf n GLY 46 Ca 0.23 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.36 0.36 0.54 -0.02 0.00 -1.09 -4.59 107.32 100.16 1faf s GLY 47 Ca 0.11 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1faf s GLY 47 CO 0.55 -1.09 0.80 -0.56 0.00 0.00 0.00 173.10 172.80 1faf s SER 48 N -2.59 5.57 -0.14 1.64 0.01 -1.25 -4.21 113.70 112.74 1faf s SER 48 Ca 0.02 0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 1faf s SER 48 Cb 0.04 -1.47 -0.22 0.00 0.21 0.00 0.00 66.02 64.58 1faf s SER 48 CO -0.08 -0.98 0.61 -0.74 0.41 0.00 0.00 173.24 172.46 1faf h HIS 49 N 0.05 0.00 0.00 2.43 2.76 -2.01 -3.24 115.15 115.14 1faf h HIS 49 Ca -0.45 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.68 1faf h HIS 49 Cb 1.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1faf h HIS 49 CO 0.44 0.93 -0.18 0.00 -1.30 0.00 0.00 177.93 177.82 1faf h ALA 50 N -0.18 1.43 0.14 5.26 0.00 -1.98 -2.99 119.26 120.93 1faf h ALA 50 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1faf h ALA 50 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1faf h ALA 50 CO -0.02 0.22 -0.07 -0.07 0.00 0.00 0.00 179.25 179.31 1faf h LEU 51 N 0.00 -0.15 -2.22 0.00 4.07 -1.95 -1.89 115.31 113.17 1faf h LEU 51 Ca -0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1faf h LEU 51 Cb 0.38 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1faf h LEU 51 CO 0.02 0.12 -0.04 0.24 -1.08 0.00 0.00 178.44 177.71 1faf h MET 52 N -0.44 0.00 0.01 1.13 2.86 -1.55 -1.61 114.93 115.32 1faf h MET 52 Ca -0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1faf h MET 52 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1faf h MET 52 CO 0.03 0.04 -0.97 1.96 1.06 0.00 0.00 176.91 179.03 1faf h GLN 53 N 0.00 0.03 0.01 1.72 1.08 -1.37 -2.67 115.11 113.92 1faf h GLN 53 Ca -0.00 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1faf h GLN 53 Cb 0.10 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1faf h GLN 53 CO 0.01 0.97 -0.00 0.93 -0.95 0.00 0.00 178.83 179.79 1faf h GLU 54 N 0.01 -0.01 -0.66 1.46 4.39 -0.48 -2.52 114.58 116.78 1faf h GLU 54 Ca -0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1faf h GLU 54 Cb 1.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.33 1faf h GLU 54 CO 0.13 0.57 0.11 1.25 -1.16 0.00 0.00 179.01 179.90 1faf h LEU 55 N -0.60 1.05 -0.92 1.33 5.85 -1.56 -0.15 115.31 120.31 1faf h LEU 55 Ca -0.00 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1faf h LEU 55 Cb 0.58 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1faf h LEU 55 CO 0.00 1.04 0.42 0.78 -0.34 0.00 0.00 178.44 180.34 1faf h ASN 56 N 1.01 1.08 0.15 1.25 2.35 -1.54 0.97 115.58 120.85 1faf h ASN 56 Ca 0.20 -0.12 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 1faf h ASN 56 Cb 0.44 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1faf h ASN 56 CO 0.01 0.90 -0.78 -1.28 -1.65 0.00 0.00 177.43 174.62 1faf h SER 57 N 1.19 0.63 0.97 5.81 0.87 -1.22 -1.57 113.55 120.22 1faf h SER 57 Ca 0.29 -0.43 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1faf h SER 57 Cb 0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1faf h SER 57 CO -0.04 1.19 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.09 1faf h LEU 58 N 0.34 0.00 0.00 2.23 3.38 -0.64 -2.52 115.31 118.10 1faf h LEU 58 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1faf h LEU 58 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1faf h LEU 58 CO 0.14 0.29 -1.02 1.87 0.09 0.00 0.00 178.44 179.81 1faf n TRP 59 N -3.41 0.94 -0.01 1.13 -0.00 0.30 -3.07 117.44 113.33 1faf n TRP 59 Ca 0.00 0.27 -0.03 0.00 -0.00 0.00 0.00 57.50 57.75 1faf n TRP 59 Cb 0.48 -0.95 -0.02 0.00 -0.00 0.00 0.00 31.31 30.83 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 4.01 -0.11 0.53 5.87 0.00 -1.08 -1.33 103.07 110.96 1faf h GLY 60 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1faf h GLY 60 CO 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 176.54 176.43 1faf h THR 61 N -1.02 0.75 -0.59 4.70 1.03 -1.65 0.27 112.91 116.41 1faf h THR 61 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.49 1faf h THR 61 Cb 0.17 0.75 -0.11 0.00 -1.07 0.00 0.00 68.15 67.89 1faf h THR 61 CO 0.02 0.00 -0.34 0.15 -0.01 0.00 0.00 175.52 175.33 1faf h PHE 62 N -0.02 -0.95 -0.93 0.00 3.57 -1.67 0.44 116.94 117.38 1faf h PHE 62 Ca 0.11 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1faf h PHE 62 Cb 0.18 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1faf h PHE 62 CO -0.24 -0.39 0.61 0.87 -2.23 0.00 0.00 178.31 176.93 1faf h LYS 63 N -0.17 1.09 -1.00 1.11 1.57 0.04 0.27 116.57 119.48 1faf h LYS 63 Ca 0.23 -0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.13 1faf h LYS 63 Cb 0.55 -0.25 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1faf h LYS 63 CO -0.68 0.72 0.61 1.15 -0.57 0.00 0.00 179.45 180.69 1faf h THR 64 N 1.12 0.72 0.00 -0.16 2.02 0.33 0.43 112.91 117.38 1faf h THR 64 Ca 0.38 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 1faf h THR 64 Cb 0.10 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1faf h THR 64 CO -0.13 0.14 -0.89 1.05 0.37 0.00 0.00 175.52 176.06 1faf h GLU 65 N 0.78 0.00 -0.62 6.66 -0.00 -0.57 -3.34 114.58 117.50 1faf h GLU 65 Ca 0.57 0.00 0.07 0.00 -0.00 0.00 0.00 59.36 60.00 1faf h GLU 65 Cb 0.87 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.56 1faf h GLU 65 CO -0.37 0.33 0.30 0.28 -0.00 0.00 0.00 179.01 179.55 1faf h VAL 66 N 0.00 0.89 0.00 -1.06 2.07 0.33 0.78 116.25 119.27 1faf h VAL 66 Ca -0.07 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1faf h VAL 66 Cb 1.40 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1faf h VAL 66 CO 0.05 0.10 -0.08 0.22 0.02 0.00 0.00 177.57 177.88 1faf h TYR 67 N 0.55 0.00 0.00 1.57 3.20 -1.45 -1.74 116.97 119.10 1faf h TYR 67 Ca 0.29 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 1faf h TYR 67 Cb 0.26 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1faf h TYR 67 CO -0.11 0.08 -1.37 0.09 -1.64 0.00 0.00 178.16 175.20 1faf n ASN 68 N -3.74 0.80 0.32 -2.11 3.02 0.49 -3.92 115.26 110.12 1faf n ASN 68 Ca -0.02 0.34 0.21 0.00 -0.03 0.00 0.00 54.58 55.08 1faf n ASN 68 Cb 0.18 0.33 1.06 0.00 -0.61 0.00 0.00 39.78 40.73 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 0.14 -0.68 115.31 126.28 1faf h LEU 69 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.86 1faf h LEU 69 Cb 1.45 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.67 1faf h LEU 69 CO 0.03 0.00 0.00 0.54 -4.11 0.00 0.00 178.44 174.91 1faf n ARG 70 N -3.12 0.98 -0.05 0.17 3.00 -1.21 -3.08 116.66 113.35 1faf n ARG 70 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.81 1faf n ARG 70 Cb 0.14 -1.43 -0.14 0.00 0.00 0.00 0.00 32.46 31.03 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1faf n MET 71 N -0.93 0.97 0.00 5.56 2.81 -0.26 -4.33 117.12 120.93 1faf n MET 71 Ca 0.20 -0.07 0.14 0.00 -1.81 0.00 0.00 57.70 56.16 1faf n MET 71 Cb 0.09 -1.43 0.51 0.00 -0.71 0.00 0.00 33.22 31.68 1faf n MET 71 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1faf n ASN 72 N -2.42 0.83 -4.51 7.83 3.02 -1.18 -4.67 115.26 114.17 1faf n ASN 72 Ca -0.17 -0.84 -0.43 0.00 -0.03 0.00 0.00 54.58 53.11 1faf n ASN 72 Cb 0.81 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.99 1faf n ASN 72 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1faf s LEU 73 N -2.41 4.34 -0.29 3.41 0.20 -1.23 -4.90 118.68 117.79 1faf s LEU 73 Ca 0.28 -1.99 -0.15 0.00 0.69 0.00 0.00 54.13 52.97 1faf s LEU 73 Cb 0.20 -2.48 0.12 0.00 -0.43 0.00 0.00 46.19 43.59 1faf s LEU 73 CO 0.47 -1.20 0.79 -0.83 -0.29 0.00 0.00 176.35 175.29 1faf s GLY 74 N 4.10 -0.44 -0.11 7.98 0.00 -1.26 -5.07 107.32 112.52 1faf s GLY 74 Ca 0.41 2.67 -0.10 0.00 0.00 0.00 0.00 44.72 47.70 1faf s GLY 74 CO -0.06 2.70 0.30 -0.32 0.00 0.00 0.00 173.10 175.71 1faf s GLY 75 N 1.93 -0.22 -0.27 0.20 0.00 -1.26 -5.12 107.32 102.58 1faf s GLY 75 Ca -0.08 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 1faf s GLY 75 CO -0.18 0.74 1.21 -0.51 0.00 0.00 0.00 173.10 174.36 1faf s THR 76 N 0.19 4.31 -0.73 0.90 -4.23 -1.26 -4.94 115.64 109.89 1faf s THR 76 Ca -0.00 1.53 0.01 0.00 -1.18 0.00 0.00 61.69 62.05 1faf s THR 76 Cb -0.02 -4.20 0.36 0.00 1.34 0.00 0.00 72.50 69.98 1faf s THR 76 CO 0.00 -0.37 1.53 0.61 -0.54 0.00 0.00 174.62 175.85 1faf n GLY 77 N 3.95 5.82 1.93 3.99 0.00 -1.26 -4.73 105.19 114.88 1faf n GLY 77 Ca 0.14 -2.64 -0.12 0.00 0.00 0.00 0.00 46.02 43.39 1faf n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1faf n PHE 78 N -0.35 2.34 -0.16 1.61 -0.00 -1.26 -5.37 117.46 114.26 1faf n PHE 78 Ca 0.44 -1.32 0.00 0.00 -0.00 0.00 0.00 57.45 56.57 1faf n PHE 78 Cb 0.38 -0.72 0.00 0.00 -0.00 0.00 0.00 39.48 39.14 1faf n PHE 78 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70