#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 3.42 -4.38 7.83 8.00 -1.26 -4.92 116.55 125.24 1faf n ASP 2 Ca 0.00 1.14 -0.46 0.00 0.71 0.00 0.00 54.79 56.18 1faf n ASP 2 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 39.56 1faf n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1faf s ARG 3 N -0.30 3.68 -0.04 -1.24 1.70 -1.26 -4.98 118.95 116.51 1faf s ARG 3 Ca 0.67 -2.31 -0.00 0.00 -0.47 0.00 0.00 55.73 53.62 1faf s ARG 3 Cb -0.56 -4.63 0.03 0.00 -0.57 0.00 0.00 34.95 29.21 1faf s ARG 3 CO 0.47 -1.47 0.01 0.14 -1.08 0.00 0.00 175.30 173.38 1faf s VAL 4 N 0.93 0.17 0.25 4.99 -7.23 -1.26 -4.89 120.40 113.36 1faf s VAL 4 Ca 0.25 0.16 -0.13 0.00 -1.81 0.00 0.00 61.98 60.45 1faf s VAL 4 Cb -0.08 -0.31 -0.08 0.00 0.56 0.00 0.00 36.38 36.47 1faf s VAL 4 CO -0.09 0.18 0.63 -1.48 -0.31 0.00 0.00 175.10 174.03 1faf s LEU 5 N 1.46 4.16 0.00 1.32 2.34 -1.26 -5.10 118.68 121.60 1faf s LEU 5 Ca -0.04 1.10 -0.01 0.00 0.06 0.00 0.00 54.13 55.25 1faf s LEU 5 Cb -0.13 -3.78 0.04 0.00 -0.56 0.00 0.00 46.19 41.76 1faf s LEU 5 CO -0.03 -0.10 0.24 -1.54 -1.06 0.00 0.00 176.35 173.86 1faf n SER 6 N -0.06 0.26 -0.15 1.48 3.41 -1.26 -4.85 113.62 112.44 1faf n SER 6 Ca 0.01 -1.23 0.02 0.00 -0.26 0.00 0.00 58.87 57.40 1faf n SER 6 Cb 0.53 -0.16 0.30 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.86 -0.62 4.33 2.47 -1.98 -2.11 114.38 117.32 1faf h ARG 7 Ca -0.08 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 1faf h ARG 7 Cb 0.27 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1faf h ARG 7 CO 0.08 0.57 0.27 0.00 0.56 0.00 0.00 179.97 181.44 1faf h ALA 8 N 1.59 0.80 0.78 0.04 0.00 -1.96 0.21 119.26 120.72 1faf h ALA 8 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1faf h ALA 8 Cb -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1faf h ALA 8 CO -0.05 0.39 -0.38 -0.44 0.00 0.00 0.00 179.25 178.77 1faf h ASP 9 N 0.85 -0.89 -0.88 0.00 3.32 -1.75 0.46 116.42 117.53 1faf h ASP 9 Ca 0.21 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1faf h ASP 9 Cb 0.16 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1faf h ASP 9 CO -0.02 -0.55 0.58 0.07 -1.72 0.00 0.00 179.24 177.60 1faf h LYS 10 N -1.21 1.12 0.00 3.56 5.09 -1.45 0.23 116.57 123.91 1faf h LYS 10 Ca -0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 60.65 60.53 1faf h LYS 10 Cb 0.82 -0.25 -0.01 0.00 0.10 0.00 0.00 32.23 32.89 1faf h LYS 10 CO 0.18 0.74 -0.19 1.49 -2.09 0.00 0.00 179.45 179.58 1faf h GLU 11 N 1.15 0.00 0.00 0.07 4.57 -0.49 -1.13 114.58 118.75 1faf h GLU 11 Ca 0.33 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.27 1faf h GLU 11 Cb -0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1faf h GLU 11 CO -0.08 0.19 -1.32 -0.09 -1.18 0.00 0.00 179.01 176.52 1faf h ARG 12 N 0.00 0.00 -0.16 1.92 9.65 0.11 -3.16 114.38 122.74 1faf h ARG 12 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 1faf h ARG 12 Cb 0.40 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1faf h ARG 12 CO 0.02 0.70 -0.52 1.25 2.80 0.00 0.00 179.97 184.22 1faf h LEU 13 N 0.00 0.49 -0.45 3.80 5.85 -0.00 -3.00 115.31 122.00 1faf h LEU 13 Ca -0.14 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 1faf h LEU 13 Cb 1.85 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1faf h LEU 13 CO 0.10 0.92 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.61 1faf h LEU 14 N 0.35 0.87 -0.91 2.25 3.38 -1.32 -1.65 115.31 118.27 1faf h LEU 14 Ca 0.01 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1faf h LEU 14 Cb 1.03 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1faf h LEU 14 CO 0.09 1.18 0.59 -0.33 0.09 0.00 0.00 178.44 180.06 1faf h GLU 15 N 0.65 1.09 0.00 1.13 5.08 -1.49 -0.08 114.58 120.95 1faf h GLU 15 Ca 0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1faf h GLU 15 Cb 1.01 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1faf h GLU 15 CO 0.10 0.72 0.00 -0.07 -1.00 0.00 0.00 179.01 178.76 1faf h LEU 16 N 1.12 0.00 -0.37 1.33 3.38 -1.44 -3.16 115.31 116.17 1faf h LEU 16 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 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 -0.13 0.00 -0.32 0.18 0.09 0.00 0.00 178.44 178.26 1faf n LEU 17 N -3.01 0.90 -1.52 1.67 7.99 -0.40 -4.79 117.00 117.84 1faf n LEU 17 Ca 0.04 -0.20 -0.12 0.00 -0.01 0.00 0.00 56.01 55.72 1faf n LEU 17 Cb 0.51 -0.15 -0.05 0.00 -0.11 0.00 0.00 43.42 43.62 1faf n LEU 17 CO 0.33 0.18 -0.12 0.29 -1.51 0.00 0.00 177.39 176.56 1faf n LYS 18 N -0.86 -1.41 -3.77 3.23 5.02 -0.18 -4.77 118.16 115.43 1faf n LYS 18 Ca 0.11 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.74 1faf n LYS 18 Cb 0.34 -5.00 -0.13 0.00 -0.02 0.00 0.00 35.03 30.23 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1faf s LEU 19 N -3.94 4.20 1.08 -0.35 0.20 -1.16 -5.08 118.68 113.63 1faf s LEU 19 Ca 0.00 -1.07 -0.21 0.00 0.69 0.00 0.00 54.13 53.54 1faf s LEU 19 Cb 0.00 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.92 1faf s LEU 19 CO 0.00 -0.30 -0.40 -2.65 -0.29 0.00 0.00 176.35 172.71 1faf n PRO 20 N 4.81 -1.10 0.04 0.98 -0.02 -1.26 -4.75 135.00 133.69 1faf n PRO 20 Ca -0.13 -0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.16 1faf n PRO 20 Cb 0.45 -1.51 0.21 0.00 -0.02 0.00 0.00 33.50 32.63 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 -0.78 0.18 -0.07 -0.52 1.74 -1.26 -3.77 116.66 112.19 1faf n ARG 21 Ca 0.00 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1faf n ARG 21 Cb 0.65 -1.61 0.17 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.00 0.69 -0.58 5.56 5.75 -2.05 -2.60 115.11 121.89 1faf h GLN 22 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1faf h GLN 22 Cb 0.65 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1faf h GLN 22 CO 0.00 0.77 0.00 1.47 -2.65 0.00 0.00 178.83 178.42 1faf n LEU 23 N -4.19 3.71 -4.53 -2.39 -0.00 -1.25 -4.95 117.00 103.41 1faf n LEU 23 Ca 0.01 -1.79 -0.38 0.00 -0.00 0.00 0.00 56.01 53.86 1faf n LEU 23 Cb 0.34 -0.38 -0.09 0.00 -0.00 0.00 0.00 43.42 43.29 1faf n LEU 23 CO 0.42 0.88 2.11 1.87 -0.00 0.00 0.00 177.39 182.66 1faf n TRP 24 N 1.54 1.01 0.00 1.47 -0.00 -0.98 -2.48 117.44 118.00 1faf n TRP 24 Ca 0.22 0.23 0.00 0.00 -0.00 0.00 0.00 57.50 57.95 1faf n TRP 24 Cb 0.61 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.42 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 0.44 3.57 5.87 0.00 -1.26 -4.97 105.19 115.07 1faf n GLY 25 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 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 6.49 0.34 1.61 2.15 -1.04 -4.83 116.67 121.39 1faf s ASP 26 Ca 0.00 -1.78 0.14 0.00 0.43 0.00 0.00 52.55 51.33 1faf s ASP 26 Cb 0.00 -2.57 1.06 0.00 -0.30 0.00 0.00 42.92 41.10 1faf s ASP 26 CO 0.00 -1.52 1.67 0.15 -0.17 0.00 0.00 175.17 175.30 1faf h PHE 27 N 9.06 0.90 -0.62 -5.34 3.57 -1.97 0.27 116.94 122.81 1faf h PHE 27 Ca 0.29 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1faf h PHE 27 Cb 0.96 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1faf h PHE 27 CO 1.33 -0.16 0.20 0.78 -2.23 0.00 0.00 178.31 178.23 1faf h GLY 28 N 0.33 1.00 0.25 2.40 0.00 -2.00 -1.65 103.07 103.42 1faf h GLY 28 Ca 0.72 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1faf h GLY 28 CO -0.60 0.52 -0.00 3.21 0.00 0.00 0.00 176.54 179.67 1faf h ARG 29 N 0.91 -0.00 -0.27 4.80 3.08 -0.91 -2.91 114.38 119.07 1faf h ARG 29 Ca 0.21 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1faf h ARG 29 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1faf h ARG 29 CO -0.01 0.74 0.09 0.00 -1.07 0.00 0.00 179.97 179.72 1faf h MET 30 N -0.75 0.20 -0.82 0.04 -0.00 -1.31 -1.24 114.93 111.06 1faf h MET 30 Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 59.70 59.74 1faf h MET 30 Cb 0.74 -0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 32.25 1faf h MET 30 CO 0.00 0.14 0.54 0.37 -0.00 0.00 0.00 176.91 177.95 1faf h GLN 31 N 0.21 0.90 -0.72 -0.10 4.15 -1.41 0.50 115.11 118.64 1faf h GLN 31 Ca 0.12 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1faf h GLN 31 Cb 0.09 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1faf h GLN 31 CO -0.12 0.60 0.38 0.37 -1.93 0.00 0.00 178.83 178.13 1faf h GLN 32 N 0.93 1.02 -0.19 1.69 5.75 -1.12 -2.19 115.11 121.00 1faf h GLN 32 Ca 0.34 -0.13 -0.20 0.00 -0.15 0.00 0.00 58.65 58.51 1faf h GLN 32 Cb 0.17 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1faf h GLN 32 CO -0.12 0.77 -0.68 0.00 -2.65 0.00 0.00 178.83 176.15 1faf h ALA 33 N 1.19 0.43 -0.99 3.38 0.00 -0.03 -2.69 119.26 120.55 1faf h ALA 33 Ca 0.25 -0.57 0.13 0.00 0.00 0.00 0.00 54.91 54.73 1faf h ALA 33 Cb 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1faf h ALA 33 CO -0.04 0.69 0.62 -0.92 0.00 0.00 0.00 179.25 179.61 1faf h TYR 34 N 0.54 1.09 -0.09 0.00 5.03 0.31 -0.01 116.97 123.84 1faf h TYR 34 Ca -0.02 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.13 1faf h TYR 34 Cb 1.29 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 39.22 1faf h TYR 34 CO 0.07 0.40 -0.74 0.87 -1.32 0.00 0.00 178.16 177.44 1faf h LYS 35 N 0.92 0.47 -0.47 1.82 1.57 -1.35 0.03 116.57 119.56 1faf h LYS 35 Ca 0.50 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1faf h LYS 35 Cb 0.59 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1faf h LYS 35 CO -0.28 1.02 0.31 1.96 -0.57 0.00 0.00 179.45 181.89 1faf h GLN 36 N 0.32 0.62 0.00 3.15 4.20 -0.71 -1.34 115.11 121.35 1faf h GLN 36 Ca -0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1faf h GLN 36 Cb 1.33 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1faf h GLN 36 CO 0.13 0.42 -0.45 1.96 -0.67 0.00 0.00 178.83 180.23 1faf h GLN 37 N 0.64 0.00 0.00 1.46 7.50 -1.23 -3.25 115.11 120.22 1faf h GLN 37 Ca 0.17 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.23 1faf h GLN 37 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.46 1faf h GLN 37 CO -0.04 0.06 -0.42 0.77 -1.50 0.00 0.00 178.83 177.70 1faf h SER 38 N 0.00 0.00 0.51 1.46 0.02 -0.55 -2.37 113.55 112.62 1faf h SER 38 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1faf h SER 38 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1faf h SER 38 CO 0.01 0.42 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.41 1faf h LEU 39 N 0.00 0.14 0.00 5.07 3.38 -1.29 -2.57 115.31 120.04 1faf h LEU 39 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1faf h LEU 39 Cb 0.94 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1faf h LEU 39 CO 0.05 0.74 -0.71 0.17 0.09 0.00 0.00 178.44 178.78 1faf h LEU 40 N 0.09 0.00 -1.57 1.67 8.10 -1.65 -3.27 115.31 118.69 1faf h LEU 40 Ca -0.01 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.83 1faf h LEU 40 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 1faf h LEU 40 CO 0.09 0.08 0.00 0.18 -4.11 0.00 0.00 178.44 174.68 1faf n LEU 41 N -2.30 2.39 -4.73 0.17 4.77 -0.90 -3.38 117.00 113.01 1faf n LEU 41 Ca 0.02 -0.89 -0.41 0.00 -0.03 0.00 0.00 56.01 54.70 1faf n LEU 41 Cb 0.47 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1faf n LEU 41 CO 0.37 0.45 0.60 -2.28 -1.33 0.00 0.00 177.39 175.20 1faf s HIS 42 N -1.86 3.78 0.20 -1.77 2.46 -0.98 -3.44 115.29 113.69 1faf s HIS 42 Ca 0.34 1.69 0.27 0.00 0.47 0.00 0.00 55.06 57.83 1faf s HIS 42 Cb 0.20 -2.98 1.45 0.00 -0.13 0.00 0.00 32.58 31.12 1faf s HIS 42 CO 0.31 0.22 1.79 -1.00 -2.47 0.00 0.00 174.74 173.59 1faf h PRO 43 N 5.63 0.00 0.00 2.88 0.13 -1.86 0.68 132.00 139.46 1faf h PRO 43 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1faf h PRO 43 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1faf h PRO 43 CO 0.72 0.00 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.61 1faf h ASP 44 N 0.00 0.00 -0.47 1.44 5.19 -1.92 -3.30 116.42 117.36 1faf h ASP 44 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1faf h ASP 44 Cb 0.25 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.61 1faf h ASP 44 CO 0.00 0.00 0.01 0.29 -3.12 0.00 0.00 179.24 176.42 1faf n LYS 45 N -2.92 1.98 -3.52 3.56 4.76 0.16 -4.94 118.16 117.24 1faf n LYS 45 Ca 0.02 -3.22 -0.19 0.00 -2.87 0.00 0.00 58.31 52.05 1faf n LYS 45 Cb 0.54 -1.90 0.07 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.11 -0.35 3.37 0.72 0.00 -1.19 -4.86 105.19 101.79 1faf n GLY 46 Ca 0.38 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.30 2.98 3.82 -0.02 0.00 -0.75 -4.94 105.19 104.97 1faf n GLY 47 Ca -0.28 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.80 7.01 -0.05 1.61 0.01 -1.22 -4.49 113.70 112.77 1faf s SER 48 Ca 0.21 1.20 -0.17 0.00 1.31 0.00 0.00 55.95 58.49 1faf s SER 48 Cb -0.02 -2.33 -0.31 0.00 0.21 0.00 0.00 66.02 63.57 1faf s SER 48 CO 0.13 0.28 0.79 -0.74 0.41 0.00 0.00 173.24 174.12 1faf h HIS 49 N 4.55 0.65 -0.12 2.43 2.76 -1.96 -3.14 115.15 120.31 1faf h HIS 49 Ca -0.50 -0.47 -0.05 0.00 -2.20 0.00 0.00 60.37 57.15 1faf h HIS 49 Cb 1.21 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1faf h HIS 49 CO 0.69 1.49 -0.16 0.00 -1.30 0.00 0.00 177.93 178.65 1faf h ALA 50 N 0.06 1.51 -0.02 5.26 0.00 -1.94 -3.00 119.26 121.13 1faf h ALA 50 Ca -0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1faf h ALA 50 Cb 1.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1faf h ALA 50 CO 0.16 0.35 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 1faf h LEU 51 N 0.18 0.07 -1.55 0.00 3.38 -1.93 -2.79 115.31 112.67 1faf h LEU 51 Ca 0.04 -0.53 0.22 0.00 0.09 0.00 0.00 57.88 57.70 1faf h LEU 51 Cb 0.40 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1faf h LEU 51 CO 0.02 0.59 0.62 -0.03 0.09 0.00 0.00 178.44 179.73 1faf h MET 52 N -0.45 0.34 -0.00 1.13 4.05 -1.48 0.41 114.93 118.93 1faf h MET 52 Ca 0.00 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.24 1faf h MET 52 Cb 0.57 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 1faf h MET 52 CO 0.01 0.22 -0.76 1.96 0.23 0.00 0.00 176.91 178.58 1faf h GLN 53 N 0.35 0.04 0.54 0.39 1.08 -1.48 -2.80 115.11 113.22 1faf h GLN 53 Ca 0.49 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.62 1faf h GLN 53 Cb 1.31 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.76 1faf h GLN 53 CO -0.17 0.78 -0.26 0.93 -0.95 0.00 0.00 178.83 179.15 1faf h GLU 54 N 0.02 -0.70 -0.45 1.46 4.39 0.07 -2.24 114.58 117.13 1faf h GLU 54 Ca -0.01 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1faf h GLU 54 Cb 1.33 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1faf h GLU 54 CO 0.10 -0.39 0.30 1.25 -1.16 0.00 0.00 179.01 179.11 1faf h LEU 55 N -0.99 0.35 -0.13 1.33 5.85 -1.47 -0.76 115.31 119.48 1faf h LEU 55 Ca -0.07 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1faf h LEU 55 Cb 0.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1faf h LEU 55 CO 0.12 0.23 0.07 0.78 -0.34 0.00 0.00 178.44 179.30 1faf h ASN 56 N 0.40 0.17 -0.28 1.25 2.35 -1.39 0.42 115.58 118.50 1faf h ASN 56 Ca 0.19 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1faf h ASN 56 Cb 0.25 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1faf h ASN 56 CO -0.05 0.24 0.00 0.77 -1.65 0.00 0.00 177.43 176.74 1faf h SER 57 N 0.09 0.48 0.52 5.81 4.64 -0.75 0.33 113.55 124.67 1faf h SER 57 Ca 0.05 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1faf h SER 57 Cb 0.11 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1faf h SER 57 CO -0.01 0.67 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.25 1faf h LEU 58 N 0.28 0.00 0.00 5.97 3.38 -1.07 -2.31 115.31 121.56 1faf h LEU 58 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1faf h LEU 58 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1faf h LEU 58 CO 0.01 0.31 -0.81 1.87 0.09 0.00 0.00 178.44 179.91 1faf n TRP 59 N -3.80 0.55 -0.03 1.13 -0.00 0.15 -3.26 117.44 112.17 1faf n TRP 59 Ca -0.01 0.16 -0.00 0.00 -0.00 0.00 0.00 57.50 57.64 1faf n TRP 59 Cb 0.39 -0.65 -0.00 0.00 -0.00 0.00 0.00 31.31 31.05 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 4.42 0.00 0.29 5.87 0.00 0.17 -2.32 103.07 111.50 1faf h GLY 60 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1faf h GLY 60 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 1faf h THR 61 N -0.62 0.65 -0.73 4.70 1.03 -1.64 0.77 112.91 117.07 1faf h THR 61 Ca 0.00 -0.01 0.13 0.00 -0.01 0.00 0.00 66.41 66.52 1faf h THR 61 Cb 0.02 0.61 -0.14 0.00 -1.07 0.00 0.00 68.15 67.58 1faf h THR 61 CO 0.00 0.01 -0.28 0.15 -0.01 0.00 0.00 175.52 175.39 1faf h PHE 62 N 0.04 -0.72 -0.96 0.00 3.57 -1.71 0.50 116.94 117.66 1faf h PHE 62 Ca 0.18 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.87 1faf h PHE 62 Cb 0.28 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 1faf h PHE 62 CO -0.31 -0.36 0.59 -0.22 -2.23 0.00 0.00 178.31 175.77 1faf h LYS 63 N -0.07 0.94 -1.00 1.11 3.64 -0.31 0.21 116.57 121.09 1faf h LYS 63 Ca 0.31 -0.06 0.24 0.00 -1.27 0.00 0.00 60.65 59.88 1faf h LYS 63 Cb 0.57 -0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1faf h LYS 63 CO -0.78 0.62 0.65 1.15 -2.27 0.00 0.00 179.45 178.82 1faf h THR 64 N 0.96 0.58 0.03 1.00 2.02 0.12 0.68 112.91 118.32 1faf h THR 64 Ca 0.46 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 67.23 1faf h THR 64 Cb 0.41 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1faf h THR 64 CO -0.25 0.08 -1.43 -0.33 0.37 0.00 0.00 175.52 173.96 1faf h GLU 65 N 0.42 0.07 -0.98 6.66 4.39 -0.65 -3.33 114.58 121.15 1faf h GLU 65 Ca 0.56 -0.12 0.18 0.00 0.34 0.00 0.00 59.36 60.32 1faf h GLU 65 Cb 1.38 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.98 1faf h GLU 65 CO -0.27 0.84 0.61 0.28 -1.16 0.00 0.00 179.01 179.32 1faf h VAL 66 N 0.02 0.74 0.00 3.13 2.07 0.33 1.02 116.25 123.56 1faf h VAL 66 Ca -0.18 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1faf h VAL 66 Cb 1.93 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1faf h VAL 66 CO 0.12 0.13 -0.16 0.22 0.02 0.00 0.00 177.57 177.90 1faf h TYR 67 N 0.74 0.00 0.00 1.57 3.20 -1.38 -2.26 116.97 118.84 1faf h TYR 67 Ca 0.54 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.21 1faf h TYR 67 Cb 0.88 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1faf h TYR 67 CO -0.00 0.16 -1.54 0.09 -1.64 0.00 0.00 178.16 175.23 1faf n ASN 68 N -4.03 0.80 0.03 -2.11 3.02 0.24 -3.93 115.26 109.28 1faf n ASN 68 Ca -0.02 0.36 0.09 0.00 -0.03 0.00 0.00 54.58 54.98 1faf n ASN 68 Cb 0.25 0.19 0.39 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.90 0.14 0.00 3.41 -0.00 0.29 -2.64 117.00 115.29 1faf n LEU 69 Ca -0.12 0.53 0.12 0.00 -0.00 0.00 0.00 56.01 56.53 1faf n LEU 69 Cb 0.90 -0.51 0.70 0.00 -0.00 0.00 0.00 43.42 44.51 1faf n LEU 69 CO 0.43 -0.27 0.90 -1.14 -0.00 0.00 0.00 177.39 177.32 1faf n ARG 70 N -1.65 0.83 0.07 1.47 3.00 -1.08 -4.07 116.66 115.24 1faf n ARG 70 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1faf n ARG 70 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.94 0.00 -2.32 -0.14 2.81 -1.08 -5.05 117.12 110.39 1faf n MET 71 Ca 0.18 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.66 1faf n MET 71 Cb 0.08 -0.35 -0.03 0.00 -0.71 0.00 0.00 33.22 32.21 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 -5.68 7.02 -1.05 7.83 0.01 -1.17 -4.95 114.94 116.95 1faf s ASN 72 Ca 0.00 2.29 -0.19 0.00 -0.71 0.00 0.00 52.86 54.25 1faf s ASN 72 Cb 0.00 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.16 1faf s ASN 72 CO 0.00 -0.42 1.34 -0.76 -1.51 0.00 0.00 177.10 175.75 1faf s LEU 73 N -0.22 4.47 0.00 0.60 2.01 -1.26 -4.70 118.68 119.58 1faf s LEU 73 Ca 0.54 -2.08 0.00 0.00 0.01 0.00 0.00 54.13 52.60 1faf s LEU 73 Cb -0.34 -2.47 0.00 0.00 0.01 0.00 0.00 46.19 43.39 1faf s LEU 73 CO 0.37 -1.15 0.00 0.61 1.01 0.00 0.00 176.35 177.19 1faf n GLY 74 N 5.65 1.95 0.00 -3.19 0.00 -1.26 -5.13 105.19 103.20 1faf n GLY 74 Ca 0.32 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.96 2.90 3.62 -0.02 0.00 -1.26 -4.93 105.19 104.54 1faf n GLY 75 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 3.83 4.13 0.00 2.61 -4.23 -1.26 -4.59 115.64 116.12 1faf s THR 76 Ca 0.00 1.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.75 1faf s THR 76 Cb 0.00 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.61 1faf s THR 76 CO 0.00 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1faf n GLY 77 N 4.50 0.00 3.77 3.99 0.00 -1.26 -5.07 105.19 111.12 1faf n GLY 77 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 3.11 0.00 1.61 0.08 -1.26 -5.21 117.98 116.30 1faf s PHE 78 Ca 0.00 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1faf s PHE 78 Cb 0.00 -3.64 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 1faf s PHE 78 CO 0.00 -1.72 0.00 1.04 -0.10 0.00 0.00 175.22 174.44