#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 6.45 -0.94 7.83 1.47 -1.26 -4.94 116.67 125.27 1faf s ASP 2 Ca 0.00 2.83 -0.14 0.00 1.18 0.00 0.00 52.55 56.43 1faf s ASP 2 Cb 0.00 -2.62 0.21 0.00 -0.34 0.00 0.00 42.92 40.18 1faf s ASP 2 CO 0.00 -0.88 0.97 -0.13 0.68 0.00 0.00 175.17 175.80 1faf s ARG 3 N 0.22 3.79 -0.04 2.11 3.00 -1.26 -4.98 118.95 121.79 1faf s ARG 3 Ca 0.67 -2.52 -0.01 0.00 0.00 0.00 0.00 55.73 53.86 1faf s ARG 3 Cb -0.47 -4.60 0.03 0.00 0.00 0.00 0.00 34.95 29.91 1faf s ARG 3 CO 0.40 -1.41 0.04 0.14 0.00 0.00 0.00 175.30 174.48 1faf s VAL 4 N 0.40 -0.02 0.22 3.52 -7.23 -1.26 -4.90 120.40 111.13 1faf s VAL 4 Ca 0.26 0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 60.56 1faf s VAL 4 Cb -0.08 -0.19 -0.08 0.00 0.56 0.00 0.00 36.38 36.59 1faf s VAL 4 CO -0.08 0.17 0.70 -1.48 -0.31 0.00 0.00 175.10 174.10 1faf s LEU 5 N 1.81 4.31 0.00 1.32 0.05 -1.26 -5.09 118.68 119.82 1faf s LEU 5 Ca 0.01 1.36 -0.00 0.00 0.05 0.00 0.00 54.13 55.54 1faf s LEU 5 Cb -0.12 -3.60 0.02 0.00 -2.05 0.00 0.00 46.19 40.43 1faf s LEU 5 CO -0.03 0.01 0.11 -1.54 -0.55 0.00 0.00 176.35 174.36 1faf n SER 6 N 0.60 0.12 -0.23 1.48 3.41 -1.26 -4.73 113.62 113.00 1faf n SER 6 Ca -0.02 -1.11 -0.03 0.00 -0.26 0.00 0.00 58.87 57.45 1faf n SER 6 Cb 0.51 -0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.74 -0.03 4.33 3.08 -1.98 0.56 114.38 121.08 1faf h ARG 7 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1faf h ARG 7 Cb 0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1faf h ARG 7 CO 0.04 0.49 0.02 0.00 -1.07 0.00 0.00 179.97 179.44 1faf h ALA 8 N 1.31 0.04 0.12 0.04 0.00 -1.97 0.46 119.26 119.26 1faf h ALA 8 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1faf h ALA 8 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 8 CO -0.14 -0.44 -0.06 -0.44 0.00 0.00 0.00 179.25 178.18 1faf h ASP 9 N -0.01 -0.14 -0.37 0.00 3.32 -1.85 0.17 116.42 117.54 1faf h ASP 9 Ca 0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1faf h ASP 9 Cb 0.05 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1faf h ASP 9 CO -0.00 0.08 0.23 0.07 -1.72 0.00 0.00 179.24 177.90 1faf h LYS 10 N -0.35 0.52 -0.09 3.56 5.09 -0.86 0.83 116.57 125.28 1faf h LYS 10 Ca -0.02 -0.04 -0.11 0.00 0.09 0.00 0.00 60.65 60.58 1faf h LYS 10 Cb 0.29 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 1faf h LYS 10 CO 0.03 0.37 -0.42 0.93 -2.09 0.00 0.00 179.45 178.26 1faf h GLU 11 N 0.53 0.19 -0.37 0.07 5.08 0.29 -2.65 114.58 117.73 1faf h GLU 11 Ca 0.14 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1faf h GLU 11 Cb -0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1faf h GLU 11 CO -0.03 0.59 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.23 1faf h ARG 12 N 0.16 0.74 -0.02 2.33 2.43 0.17 -2.48 114.38 117.72 1faf h ARG 12 Ca 0.01 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 1faf h ARG 12 Cb 0.82 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1faf h ARG 12 CO 0.06 0.91 -0.21 1.25 -1.51 0.00 0.00 179.97 180.48 1faf h LEU 13 N 0.64 0.03 -0.41 3.80 5.85 -0.89 -2.46 115.31 121.87 1faf h LEU 13 Ca 0.09 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 13 Cb 0.76 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1faf h LEU 13 CO 0.06 0.24 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.90 1faf h LEU 14 N 0.03 0.93 -0.13 2.25 3.38 -1.19 -2.44 115.31 118.14 1faf h LEU 14 Ca 0.00 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1faf h LEU 14 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1faf h LEU 14 CO 0.03 1.23 -0.07 -0.33 0.09 0.00 0.00 178.44 179.38 1faf h GLU 15 N 0.69 -0.06 0.00 1.13 5.08 -1.16 -0.26 114.58 119.99 1faf h GLU 15 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1faf h GLU 15 Cb 1.02 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1faf h GLU 15 CO 0.10 -0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 1faf n LEU 16 N -5.21 0.44 0.00 1.33 4.77 -1.17 -2.46 117.00 114.70 1faf n LEU 16 Ca -0.03 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1faf n LEU 16 Cb 0.14 -0.51 0.24 0.00 -2.33 0.00 0.00 43.42 40.95 1faf n LEU 16 CO 0.25 -0.37 0.44 0.18 -1.33 0.00 0.00 177.39 176.56 1faf n LEU 17 N -1.97 0.52 -1.41 2.23 7.99 -0.20 -4.82 117.00 119.34 1faf n LEU 17 Ca 0.03 -0.01 -0.15 0.00 -0.01 0.00 0.00 56.01 55.87 1faf n LEU 17 Cb 0.25 -0.24 -0.06 0.00 -0.11 0.00 0.00 43.42 43.26 1faf n LEU 17 CO 0.20 0.13 -0.14 0.29 -1.51 0.00 0.00 177.39 176.36 1faf n LYS 18 N -1.51 -1.34 -3.84 3.23 4.01 -0.68 -4.64 118.16 113.39 1faf n LYS 18 Ca 0.05 0.88 -0.36 0.00 -0.51 0.00 0.00 58.31 58.37 1faf n LYS 18 Cb 0.34 -5.16 -0.13 0.00 -0.51 0.00 0.00 35.03 29.57 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 -3.92 3.93 1.01 -0.35 0.20 -1.20 -5.09 118.68 113.27 1faf s LEU 19 Ca 0.00 -1.09 -0.22 0.00 0.69 0.00 0.00 54.13 53.51 1faf s LEU 19 Cb 0.00 -1.78 -0.13 0.00 -0.43 0.00 0.00 46.19 43.85 1faf s LEU 19 CO 0.00 -0.25 -0.96 -2.65 -0.29 0.00 0.00 176.35 172.19 1faf n PRO 20 N 4.73 -0.23 0.00 0.98 -0.02 -1.26 -4.74 135.00 134.45 1faf n PRO 20 Ca -0.14 -0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.40 1faf n PRO 20 Cb 0.45 -1.16 0.27 0.00 -0.02 0.00 0.00 33.50 33.04 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 1.58 0.18 0.07 -0.52 1.85 -1.26 -4.01 116.66 114.54 1faf n ARG 21 Ca -0.01 -0.10 -0.08 0.00 -1.00 0.00 0.00 57.85 56.66 1faf n ARG 21 Cb 0.66 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.62 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 0.25 0.31 -0.64 2.89 4.15 -2.05 -3.07 115.11 116.96 1faf h GLN 22 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1faf h GLN 22 Cb 0.50 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1faf h GLN 22 CO 0.00 0.90 0.00 1.47 -1.93 0.00 0.00 178.83 179.27 1faf n LEU 23 N -3.82 3.45 -4.48 -2.39 -0.00 -1.26 -4.95 117.00 103.56 1faf n LEU 23 Ca -0.04 -1.71 -0.49 0.00 -0.00 0.00 0.00 56.01 53.77 1faf n LEU 23 Cb 0.70 -0.42 -0.06 0.00 -0.00 0.00 0.00 43.42 43.63 1faf n LEU 23 CO 0.47 0.86 1.83 1.87 -0.00 0.00 0.00 177.39 182.41 1faf n TRP 24 N 1.39 1.64 0.00 1.47 -0.00 -1.16 -2.41 117.44 118.37 1faf n TRP 24 Ca 0.22 0.20 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 1faf n TRP 24 Cb 0.55 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 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 6.39 1.22 3.56 5.87 0.00 -1.26 -5.08 105.19 115.89 1faf n GLY 25 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 6.26 0.55 1.61 -1.08 -1.01 -4.83 116.67 118.16 1faf s ASP 26 Ca 0.00 -1.17 0.38 0.00 -0.52 0.00 0.00 52.55 51.24 1faf s ASP 26 Cb 0.00 -2.57 1.56 0.00 -1.46 0.00 0.00 42.92 40.45 1faf s ASP 26 CO 0.00 -1.73 1.76 0.15 0.52 0.00 0.00 175.17 175.87 1faf h PHE 27 N 10.14 0.00 -0.21 -5.34 3.57 -1.98 0.41 116.94 123.52 1faf h PHE 27 Ca 0.11 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1faf h PHE 27 Cb 1.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1faf h PHE 27 CO 1.25 0.00 -0.57 0.78 -2.23 0.00 0.00 178.31 177.54 1faf h GLY 28 N 0.00 0.73 0.27 2.40 0.00 -1.99 -2.22 103.07 102.25 1faf h GLY 28 Ca 0.60 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1faf h GLY 28 CO -0.01 0.78 -0.27 3.21 0.00 0.00 0.00 176.54 180.25 1faf h ARG 29 N 0.51 0.11 -0.04 4.80 3.08 -0.64 -2.86 114.38 119.33 1faf h ARG 29 Ca 0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1faf h ARG 29 Cb 1.14 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1faf h ARG 29 CO 0.11 1.06 0.01 0.00 -1.07 0.00 0.00 179.97 180.08 1faf h MET 30 N -0.74 0.03 -0.65 0.04 -0.00 -1.30 -1.56 114.93 110.75 1faf h MET 30 Ca -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1faf h MET 30 Cb 1.18 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.74 1faf h MET 30 CO 0.05 0.02 0.39 0.37 -0.00 0.00 0.00 176.91 177.74 1faf h GLN 31 N 0.04 0.88 -0.45 -0.10 4.15 -1.55 0.14 115.11 118.22 1faf h GLN 31 Ca 0.02 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1faf h GLN 31 Cb 0.01 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1faf h GLN 31 CO -0.02 0.62 0.28 0.37 -1.93 0.00 0.00 178.83 178.15 1faf h GLN 32 N 0.89 0.54 -0.15 1.69 -0.00 -1.18 -1.54 115.11 115.37 1faf h GLN 32 Ca 0.23 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.81 1faf h GLN 32 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.33 1faf h GLN 32 CO -0.04 0.36 -0.06 0.00 0.00 0.00 0.00 178.83 179.09 1faf h ALA 33 N 1.18 0.20 -0.67 3.38 0.00 -0.60 -1.55 119.26 121.20 1faf h ALA 33 Ca 0.17 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1faf h ALA 33 Cb -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 1faf h ALA 33 CO -0.06 -0.01 -0.07 -0.92 0.00 0.00 0.00 179.25 178.18 1faf h TYR 34 N -0.03 -0.19 0.00 0.00 5.03 -0.45 0.50 116.97 121.83 1faf h TYR 34 Ca 0.03 0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.29 1faf h TYR 34 Cb 0.52 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1faf h TYR 34 CO 0.06 -0.24 -0.52 -0.22 -1.32 0.00 0.00 178.16 175.92 1faf h LYS 35 N 0.06 0.00 -0.07 1.82 3.64 -1.25 -2.07 116.57 118.70 1faf h LYS 35 Ca 0.34 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 1faf h LYS 35 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1faf h LYS 35 CO -0.63 0.52 -0.50 0.37 -2.27 0.00 0.00 179.45 176.94 1faf h GLN 36 N 0.00 0.17 0.00 1.90 -0.00 0.83 -2.93 115.11 115.08 1faf h GLN 36 Ca -0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 1faf h GLN 36 Cb 0.97 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.45 1faf h GLN 36 CO 0.07 0.64 -0.57 1.96 0.00 0.00 0.00 178.83 180.92 1faf h GLN 37 N 0.14 0.00 0.00 1.69 1.08 -0.14 -3.30 115.11 114.58 1faf h GLN 37 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1faf h GLN 37 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1faf h GLN 37 CO 0.07 0.05 -0.18 0.77 -0.95 0.00 0.00 178.83 178.60 1faf h SER 38 N 0.00 0.00 -0.09 1.46 0.02 -1.18 -2.29 113.55 111.48 1faf h SER 38 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1faf h SER 38 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1faf h SER 38 CO 0.01 0.18 0.01 -0.07 -1.14 0.00 0.00 176.83 175.82 1faf h LEU 39 N 0.00 0.20 0.00 5.07 3.38 -1.63 0.57 115.31 122.90 1faf h LEU 39 Ca -0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1faf h LEU 39 Cb 0.33 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1faf h LEU 39 CO 0.02 0.24 -1.24 0.17 0.09 0.00 0.00 178.44 177.72 1faf h LEU 40 N 0.23 0.00 -1.61 1.67 8.10 -1.64 -3.30 115.31 118.76 1faf h LEU 40 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 1faf h LEU 40 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1faf h LEU 40 CO 0.00 0.67 0.00 0.18 -4.11 0.00 0.00 178.44 175.18 1faf n LEU 41 N -3.02 2.47 -4.73 0.17 4.77 -0.89 -3.50 117.00 112.26 1faf n LEU 41 Ca -0.08 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 1faf n LEU 41 Cb 0.86 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1faf n LEU 41 CO 0.43 0.46 0.87 -2.28 -1.33 0.00 0.00 177.39 175.54 1faf s HIS 42 N -1.86 3.45 0.61 -1.77 2.46 0.19 -4.02 115.29 114.35 1faf s HIS 42 Ca 0.34 1.40 0.27 0.00 0.47 0.00 0.00 55.06 57.54 1faf s HIS 42 Cb 0.20 -3.41 1.17 0.00 -0.13 0.00 0.00 32.58 30.42 1faf s HIS 42 CO 0.31 -1.16 1.59 -1.35 -2.47 0.00 0.00 174.74 171.65 1faf h PRO 43 N 5.70 0.00 0.00 2.88 0.11 -1.88 0.84 132.00 139.64 1faf h PRO 43 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1faf h PRO 43 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1faf h PRO 43 CO 0.76 0.00 -0.39 0.22 -0.21 0.00 0.00 178.00 178.39 1faf h ASP 44 N 0.00 0.00 -0.12 -2.05 3.58 -1.92 -3.06 116.42 112.85 1faf h ASP 44 Ca 0.32 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.71 1faf h ASP 44 Cb 1.99 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.01 1faf h ASP 44 CO -0.00 0.39 -0.31 0.29 -2.88 0.00 0.00 179.24 176.72 1faf n LYS 45 N -3.58 1.68 0.00 0.28 4.76 0.29 -5.04 118.16 116.56 1faf n LYS 45 Ca -0.00 -3.20 0.00 0.00 -2.87 0.00 0.00 58.31 52.23 1faf n LYS 45 Cb 0.51 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.13 0.60 1.72 0.72 0.00 -0.94 -4.80 105.19 101.35 1faf n GLY 46 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1faf n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 47 N 0.00 -4.86 3.85 -0.02 0.00 -1.23 -4.03 105.19 98.90 1faf n GLY 47 Ca 0.00 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1faf n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1faf s SER 48 N -2.52 6.78 0.51 1.61 0.01 -1.26 -4.83 113.70 113.99 1faf s SER 48 Ca 0.00 1.05 0.27 0.00 1.31 0.00 0.00 55.95 58.58 1faf s SER 48 Cb 0.00 -2.28 1.35 0.00 0.21 0.00 0.00 66.02 65.30 1faf s SER 48 CO 0.00 0.06 2.02 1.12 0.41 0.00 0.00 173.24 176.85 1faf h HIS 49 N 3.30 0.00 0.01 2.43 2.07 -1.95 -2.22 115.15 118.79 1faf h HIS 49 Ca -0.48 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 56.82 1faf h HIS 49 Cb 1.19 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.14 1faf h HIS 49 CO 0.64 0.14 -1.18 0.00 -3.07 0.00 0.00 177.93 174.46 1faf h ALA 50 N 1.86 0.24 -0.20 6.11 0.00 -1.99 -3.32 119.26 121.96 1faf h ALA 50 Ca -0.00 -1.15 0.04 0.00 0.00 0.00 0.00 54.91 53.81 1faf h ALA 50 Cb 0.42 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1faf h ALA 50 CO 0.02 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.79 1faf h LEU 51 N -0.91 -0.29 -0.68 0.00 4.07 -1.96 0.61 115.31 116.16 1faf h LEU 51 Ca -0.32 0.07 0.08 0.00 0.08 0.00 0.00 57.88 57.80 1faf h LEU 51 Cb 1.34 0.17 -0.07 0.00 1.08 0.00 0.00 40.66 43.18 1faf h LEU 51 CO -0.16 -0.11 0.33 -0.03 -1.08 0.00 0.00 178.44 177.39 1faf h MET 52 N -0.05 0.57 -0.00 1.13 4.05 -1.60 -0.22 114.93 118.80 1faf h MET 52 Ca 0.11 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.32 1faf h MET 52 Cb 0.21 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1faf h MET 52 CO -0.24 0.37 -0.81 -0.56 0.23 0.00 0.00 176.91 175.90 1faf h GLN 53 N 0.58 0.07 0.10 0.39 3.07 -1.53 -2.84 115.11 114.95 1faf h GLN 53 Ca 0.33 -0.07 -0.00 0.00 0.09 0.00 0.00 58.65 58.99 1faf h GLN 53 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1faf h GLN 53 CO -0.25 0.84 -0.05 1.49 0.09 0.00 0.00 178.83 180.95 1faf h GLU 54 N 0.04 -0.13 -0.72 0.06 4.57 0.12 -1.77 114.58 116.75 1faf h GLU 54 Ca -0.02 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1faf h GLU 54 Cb 1.43 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.01 1faf h GLU 54 CO 0.11 0.10 0.34 1.25 -1.18 0.00 0.00 179.01 179.63 1faf h LEU 55 N -0.34 0.95 -2.02 1.64 5.85 -1.15 -1.84 115.31 118.39 1faf h LEU 55 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1faf h LEU 55 Cb 0.28 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1faf h LEU 55 CO 0.02 0.82 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.72 1faf h ASN 56 N 1.01 0.00 0.02 1.25 -0.73 -1.42 -0.25 115.58 115.46 1faf h ASN 56 Ca 0.25 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 1faf h ASN 56 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1faf h ASN 56 CO -0.03 0.10 -0.12 -1.28 -0.37 0.00 0.00 177.43 175.73 1faf h SER 57 N 0.00 0.07 0.66 1.15 0.87 -0.53 0.07 113.55 115.84 1faf h SER 57 Ca -0.00 -0.94 -0.06 0.00 -1.23 0.00 0.00 61.79 59.55 1faf h SER 57 Cb 0.25 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1faf h SER 57 CO 0.01 1.01 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.96 1faf h LEU 58 N -0.85 0.00 0.00 2.23 3.38 -1.22 -2.50 115.31 116.34 1faf h LEU 58 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1faf h LEU 58 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1faf h LEU 58 CO 0.02 0.30 -1.28 1.87 0.09 0.00 0.00 178.44 179.44 1faf n TRP 59 N -3.64 0.95 0.10 1.13 -0.00 -0.12 -3.38 117.44 112.49 1faf n TRP 59 Ca -0.01 0.30 -0.05 0.00 -0.00 0.00 0.00 57.50 57.74 1faf n TRP 59 Cb 0.42 -1.03 -0.02 0.00 -0.00 0.00 0.00 31.31 30.68 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 3.84 -0.32 0.21 5.87 0.00 -0.65 0.49 103.07 112.50 1faf h GLY 60 Ca -0.10 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1faf h GLY 60 CO 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 176.54 176.39 1faf h THR 61 N -0.65 0.61 -0.70 4.70 1.03 -1.67 0.22 112.91 116.46 1faf h THR 61 Ca -0.03 -0.01 0.14 0.00 -0.01 0.00 0.00 66.41 66.49 1faf h THR 61 Cb 0.24 0.57 -0.13 0.00 -1.07 0.00 0.00 68.15 67.75 1faf h THR 61 CO 0.05 0.01 -0.22 0.15 -0.01 0.00 0.00 175.52 175.50 1faf h PHE 62 N 0.04 -0.53 -0.94 0.00 3.57 -1.65 0.40 116.94 117.82 1faf h PHE 62 Ca 0.21 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.89 1faf h PHE 62 Cb 0.31 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 1faf h PHE 62 CO -0.34 -0.33 0.57 0.87 -2.23 0.00 0.00 178.31 176.85 1faf h LYS 63 N -0.04 0.87 -1.02 1.11 1.57 0.17 -0.03 116.57 119.20 1faf h LYS 63 Ca 0.32 -0.05 0.31 0.00 -1.87 0.00 0.00 60.65 59.35 1faf h LYS 63 Cb 0.54 -0.20 -0.14 0.00 0.08 0.00 0.00 32.23 32.51 1faf h LYS 63 CO -0.74 0.57 0.60 1.15 -0.57 0.00 0.00 179.45 180.46 1faf h THR 64 N 0.89 0.36 0.03 -0.16 2.02 0.11 0.88 112.91 117.05 1faf h THR 64 Ca 0.47 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 67.25 1faf h THR 64 Cb 0.49 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1faf h THR 64 CO -0.28 0.07 -1.45 -0.33 0.37 0.00 0.00 175.52 173.91 1faf h GLU 65 N 0.38 0.07 -0.21 6.66 4.39 -1.08 -3.37 114.58 121.42 1faf h GLU 65 Ca 0.71 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 60.34 1faf h GLU 65 Cb 1.60 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.22 1faf h GLU 65 CO -0.55 0.84 -0.34 0.28 -1.16 0.00 0.00 179.01 178.08 1faf h VAL 66 N 0.02 0.25 -0.71 3.13 2.07 0.25 0.94 116.25 122.19 1faf h VAL 66 Ca -0.19 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.54 1faf h VAL 66 Cb 1.94 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1faf h VAL 66 CO 0.12 0.00 0.56 1.88 0.02 0.00 0.00 177.57 180.15 1faf h TYR 67 N -0.36 0.00 0.00 1.57 -1.99 -1.37 0.38 116.97 115.20 1faf h TYR 67 Ca 0.12 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.77 1faf h TYR 67 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1faf h TYR 67 CO -0.46 0.00 -1.25 0.09 -0.00 0.00 0.00 178.16 176.54 1faf n ASN 68 N -4.13 0.79 0.09 3.88 3.02 0.98 -3.89 115.26 116.01 1faf n ASN 68 Ca 0.14 0.32 0.10 0.00 -0.03 0.00 0.00 54.58 55.12 1faf n ASN 68 Cb 0.83 0.43 0.43 0.00 -0.61 0.00 0.00 39.78 40.86 1faf n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1faf n LEU 69 N -2.74 0.45 -0.17 3.41 -0.00 0.29 -1.78 117.00 116.45 1faf n LEU 69 Ca -0.05 0.62 0.14 0.00 -0.00 0.00 0.00 56.01 56.72 1faf n LEU 69 Cb 0.68 -0.57 0.73 0.00 -0.00 0.00 0.00 43.42 44.26 1faf n LEU 69 CO 0.42 -0.50 0.98 0.54 -0.00 0.00 0.00 177.39 178.83 1faf n ARG 70 N -2.00 1.24 0.00 1.47 3.00 -1.13 -3.75 116.66 115.49 1faf n ARG 70 Ca 0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 57.85 57.51 1faf n ARG 70 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.20 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 -0.55 1.73 -1.23 5.56 2.81 -0.74 -5.06 117.12 119.64 1faf n MET 71 Ca 0.21 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.75 1faf n MET 71 Cb 0.19 -0.98 0.10 0.00 -0.71 0.00 0.00 33.22 31.82 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 -2.23 0.35 -0.02 7.83 3.02 -0.96 -4.98 115.26 118.28 1faf n ASN 72 Ca 0.00 0.61 -0.05 0.00 -0.03 0.00 0.00 54.58 55.12 1faf n ASN 72 Cb 0.48 -1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.23 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1faf n LEU 73 N -2.06 0.31 -3.39 3.41 4.32 -1.26 -4.90 117.00 113.44 1faf n LEU 73 Ca 0.13 0.05 -0.26 0.00 -0.02 0.00 0.00 56.01 55.91 1faf n LEU 73 Cb 0.50 -0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 1faf n LEU 73 CO 0.49 0.08 -0.02 0.61 -1.22 0.00 0.00 177.39 177.33 1faf n GLY 74 N 2.73 4.27 0.00 -0.72 0.00 -1.26 -4.98 105.19 105.23 1faf n GLY 74 Ca -0.08 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.48 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 1.07 1.76 3.73 -0.02 0.00 -1.26 -4.82 105.19 105.65 1faf n GLY 75 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.41 0.00 2.61 2.01 -1.26 -4.14 115.64 118.27 1faf s THR 76 Ca 0.00 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.14 1faf s THR 76 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1faf s THR 76 CO 0.00 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1faf n GLY 77 N 2.51 3.07 3.61 4.40 0.00 -1.26 -5.09 105.19 112.44 1faf n GLY 77 Ca 0.06 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 2.95 -2.04 1.61 5.36 -1.26 -5.28 117.98 119.32 1faf s PHE 78 Ca 0.00 0.81 0.32 0.00 -0.96 0.00 0.00 56.93 57.10 1faf s PHE 78 Cb 0.00 -4.08 1.84 0.00 -0.34 0.00 0.00 43.02 40.44 1faf s PHE 78 CO 0.00 -1.06 2.19 0.94 -1.46 0.00 0.00 175.22 175.83