#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 -1.05 -4.42 7.83 9.92 -1.26 -5.05 116.55 122.53 1faf n ASP 2 Ca 0.00 0.37 -0.45 0.00 -0.53 0.00 0.00 54.79 54.18 1faf n ASP 2 Cb 0.00 1.22 -0.02 0.00 -0.64 0.00 0.00 41.12 41.67 1faf n ASP 2 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1faf s ARG 3 N -1.52 3.63 -0.04 -1.24 6.06 -1.26 -4.97 118.95 119.61 1faf s ARG 3 Ca 0.00 -2.01 -0.01 0.00 -2.50 0.00 0.00 55.73 51.21 1faf s ARG 3 Cb 0.00 -4.79 0.03 0.00 0.06 0.00 0.00 34.95 30.25 1faf s ARG 3 CO 0.00 -1.63 0.03 0.14 -2.50 0.00 0.00 175.30 171.34 1faf s VAL 4 N 1.89 0.06 0.17 7.11 -7.23 -1.26 -4.91 120.40 116.24 1faf s VAL 4 Ca 0.29 0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 1faf s VAL 4 Cb -0.06 -0.26 -0.07 0.00 0.56 0.00 0.00 36.38 36.54 1faf s VAL 4 CO -0.09 0.19 0.62 -1.48 -0.31 0.00 0.00 175.10 174.02 1faf s LEU 5 N 1.83 4.35 0.00 1.32 0.05 -1.26 -5.09 118.68 119.88 1faf s LEU 5 Ca 0.01 1.22 -0.02 0.00 0.05 0.00 0.00 54.13 55.39 1faf s LEU 5 Cb -0.12 -3.36 0.09 0.00 -2.05 0.00 0.00 46.19 40.75 1faf s LEU 5 CO -0.03 0.09 0.62 -1.54 -0.55 0.00 0.00 176.35 174.94 1faf n SER 6 N 0.84 0.66 -0.31 1.48 3.41 -1.26 -4.68 113.62 113.76 1faf n SER 6 Ca -0.05 -1.60 0.07 0.00 -0.26 0.00 0.00 58.87 57.03 1faf n SER 6 Cb 0.51 -0.42 0.27 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.92 -0.15 4.33 2.47 -1.98 0.28 114.38 120.25 1faf h ARG 7 Ca -0.21 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.39 1faf h ARG 7 Cb 0.71 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1faf h ARG 7 CO 0.20 0.61 -0.22 0.00 0.56 0.00 0.00 179.97 181.12 1faf h ALA 8 N 1.54 1.35 0.00 0.04 0.00 -1.98 -0.80 119.26 119.41 1faf h ALA 8 Ca 0.43 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1faf h ALA 8 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1faf h ALA 8 CO -0.19 0.44 -0.70 -0.44 0.00 0.00 0.00 179.25 178.36 1faf h ASP 9 N 0.24 0.00 -0.58 0.00 3.32 -1.52 -3.06 116.42 114.82 1faf h ASP 9 Ca 0.04 -0.69 0.06 0.00 0.02 0.00 0.00 57.03 56.46 1faf h ASP 9 Cb 0.53 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1faf h ASP 9 CO 0.04 1.25 0.39 0.07 -1.72 0.00 0.00 179.24 179.27 1faf h LYS 10 N -1.00 0.55 -0.06 3.56 2.10 -0.56 0.16 116.57 121.33 1faf h LYS 10 Ca -0.19 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.32 1faf h LYS 10 Cb 1.14 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1faf h LYS 10 CO -0.12 0.37 -0.46 1.05 -2.00 0.00 0.00 179.45 178.29 1faf h GLU 11 N 0.57 0.14 -0.44 0.07 4.11 -1.28 -2.35 114.58 115.41 1faf h GLU 11 Ca 0.25 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 1faf h GLU 11 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1faf h GLU 11 CO -0.07 0.58 0.18 -0.09 0.07 0.00 0.00 179.01 179.68 1faf h ARG 12 N 0.12 0.62 -0.07 1.06 2.43 -0.59 0.51 114.38 118.45 1faf h ARG 12 Ca 0.01 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1faf h ARG 12 Cb 0.86 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1faf h ARG 12 CO 0.07 0.50 -0.38 1.25 -1.51 0.00 0.00 179.97 179.89 1faf h LEU 13 N 0.61 0.14 -0.12 3.80 5.85 -0.89 -2.93 115.31 121.78 1faf h LEU 13 Ca 0.15 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.63 1faf h LEU 13 Cb 0.11 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1faf h LEU 13 CO -0.02 0.52 -0.68 -0.07 -0.34 0.00 0.00 178.44 177.85 1faf h LEU 14 N 0.12 0.80 -0.66 2.25 3.38 -0.77 -2.46 115.31 117.97 1faf h LEU 14 Ca 0.01 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.44 1faf h LEU 14 Cb 0.74 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1faf h LEU 14 CO 0.06 1.32 0.25 -0.33 0.09 0.00 0.00 178.44 179.83 1faf h GLU 15 N 0.34 0.41 0.00 1.13 5.08 -0.81 0.23 114.58 120.96 1faf h GLU 15 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1faf h GLU 15 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1faf h GLU 15 CO 0.14 0.27 0.00 -0.07 -1.00 0.00 0.00 179.01 178.35 1faf h LEU 16 N 0.42 0.00 -0.09 1.33 4.07 -1.57 -3.08 115.31 116.38 1faf h LEU 16 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1faf h LEU 16 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1faf h LEU 16 CO -0.34 0.00 -0.40 0.18 -1.08 0.00 0.00 178.44 176.80 1faf n LEU 17 N -2.69 0.54 -1.43 1.67 7.99 0.60 -4.84 117.00 118.84 1faf n LEU 17 Ca 0.04 -0.00 -0.15 0.00 -0.01 0.00 0.00 56.01 55.89 1faf n LEU 17 Cb 0.43 -0.25 -0.06 0.00 -0.11 0.00 0.00 43.42 43.43 1faf n LEU 17 CO 0.30 0.12 -0.14 0.29 -1.51 0.00 0.00 177.39 176.46 1faf n LYS 18 N -1.34 -1.32 -3.72 3.23 5.02 0.11 -4.75 118.16 115.38 1faf n LYS 18 Ca 0.07 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.84 1faf n LYS 18 Cb 0.33 -5.14 -0.12 0.00 -0.02 0.00 0.00 35.03 30.09 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 -3.95 4.48 1.03 -0.35 0.20 -1.18 -5.08 118.68 113.83 1faf s LEU 19 Ca 0.00 -1.20 -0.18 0.00 0.69 0.00 0.00 54.13 53.44 1faf s LEU 19 Cb 0.00 -1.89 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 1faf s LEU 19 CO 0.00 -0.36 -0.19 -2.65 -0.29 0.00 0.00 176.35 172.86 1faf n PRO 20 N 4.83 -0.72 0.00 0.98 -0.02 -1.26 -4.76 135.00 134.05 1faf n PRO 20 Ca -0.12 -0.19 0.15 0.00 -2.02 0.00 0.00 63.50 61.32 1faf n PRO 20 Cb 0.44 -1.56 0.69 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.69 0.87 0.09 -0.52 1.74 -1.26 -3.61 116.66 113.27 1faf n ARG 21 Ca 0.02 -0.26 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 1faf n ARG 21 Cb 0.60 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.63 0.24 -0.30 5.56 4.15 -2.05 -3.25 115.11 120.09 1faf h GLN 22 Ca 0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 58.65 59.11 1faf h GLN 22 Cb 0.29 0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1faf h GLN 22 CO 0.00 1.07 0.00 1.47 -1.93 0.00 0.00 178.83 179.44 1faf n LEU 23 N -3.60 4.13 0.31 -2.39 -0.00 -1.24 -4.65 117.00 109.56 1faf n LEU 23 Ca -0.05 -3.02 0.14 0.00 -0.00 0.00 0.00 56.01 53.08 1faf n LEU 23 Cb 0.89 -0.57 0.74 0.00 -0.00 0.00 0.00 43.42 44.49 1faf n LEU 23 CO 0.50 0.67 1.08 -0.25 -0.00 0.00 0.00 177.39 179.39 1faf h TRP 24 N 2.07 0.00 0.00 1.47 2.91 -1.62 0.27 115.95 121.06 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 1.52 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.17 1faf h TRP 24 CO 0.58 0.00 -0.09 0.41 -1.03 0.00 0.00 178.44 178.30 1faf n GLY 25 N -1.23 -1.63 3.65 2.65 0.00 -1.26 -4.78 105.19 102.58 1faf n GLY 25 Ca -0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.26 7.01 0.01 1.61 -1.08 0.96 -4.93 116.67 115.98 1faf s ASP 26 Ca 0.11 1.25 -0.18 0.00 -0.52 0.00 0.00 52.55 53.21 1faf s ASP 26 Cb 0.13 -2.51 -0.32 0.00 -1.46 0.00 0.00 42.92 38.76 1faf s ASP 26 CO 0.61 -0.64 0.99 0.15 0.52 0.00 0.00 175.17 176.81 1faf h PHE 27 N 7.56 0.84 0.00 -5.34 3.57 -1.86 -2.98 116.94 118.72 1faf h PHE 27 Ca -0.20 -0.58 -0.05 0.00 3.53 0.00 0.00 57.97 60.67 1faf h PHE 27 Cb 1.07 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1faf h PHE 27 CO 0.76 1.45 -0.22 0.78 -2.23 0.00 0.00 178.31 178.84 1faf h GLY 28 N -0.00 0.00 0.79 2.40 0.00 -1.98 -2.21 103.07 102.07 1faf h GLY 28 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1faf h GLY 28 CO 0.22 0.00 -0.87 3.21 0.00 0.00 0.00 176.54 179.10 1faf h ARG 29 N 0.00 0.36 -0.36 4.80 3.08 -1.94 -2.85 114.38 117.48 1faf h ARG 29 Ca -0.00 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 1faf h ARG 29 Cb 0.41 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1faf h ARG 29 CO 0.03 1.25 0.17 0.00 -1.07 0.00 0.00 179.97 180.35 1faf h MET 30 N -0.24 0.52 -0.23 0.04 -0.00 -1.41 -2.35 114.93 111.26 1faf h MET 30 Ca -0.15 -0.08 -0.07 0.00 -0.00 0.00 0.00 59.70 59.40 1faf h MET 30 Cb 1.66 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 33.15 1faf h MET 30 CO 0.17 0.48 -0.18 0.37 -0.00 0.00 0.00 176.91 177.74 1faf h GLN 31 N 0.44 0.40 -0.68 -0.10 4.15 -1.53 -0.67 115.11 117.11 1faf h GLN 31 Ca 0.12 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1faf h GLN 31 Cb 0.13 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1faf h GLN 31 CO -0.01 0.57 0.40 0.37 -1.93 0.00 0.00 178.83 178.23 1faf h GLN 32 N 0.37 0.94 -0.06 1.69 5.75 -1.22 -2.15 115.11 120.42 1faf h GLN 32 Ca 0.06 -0.10 -0.23 0.00 -0.15 0.00 0.00 58.65 58.24 1faf h GLN 32 Cb 0.54 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.90 1faf h GLN 32 CO 0.04 0.68 -0.88 0.00 -2.65 0.00 0.00 178.83 176.02 1faf h ALA 33 N 1.20 0.33 -0.62 3.38 0.00 -1.14 -2.67 119.26 119.75 1faf h ALA 33 Ca 0.24 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.59 1faf h ALA 33 Cb -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1faf h ALA 33 CO -0.04 0.73 0.25 -0.92 0.00 0.00 0.00 179.25 179.27 1faf h TYR 34 N 0.38 0.44 0.00 0.00 5.03 -0.83 -0.15 116.97 121.84 1faf h TYR 34 Ca -0.07 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.14 1faf h TYR 34 Cb 1.50 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.66 1faf h TYR 34 CO 0.08 0.13 -0.58 0.87 -1.32 0.00 0.00 178.16 177.34 1faf h LYS 35 N 0.45 0.00 -0.23 1.82 1.57 -1.43 -1.98 116.57 116.76 1faf h LYS 35 Ca 0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1faf h LYS 35 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1faf h LYS 35 CO -0.29 0.58 -0.02 1.96 -0.57 0.00 0.00 179.45 181.11 1faf h GLN 36 N 0.00 0.43 0.00 3.15 1.08 -0.77 -2.95 115.11 116.05 1faf h GLN 36 Ca -0.01 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1faf h GLN 36 Cb 1.11 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1faf h GLN 36 CO 0.08 0.63 0.00 1.96 -0.95 0.00 0.00 178.83 180.55 1faf h GLN 37 N 0.19 0.00 0.00 1.46 1.08 -1.10 -3.15 115.11 113.58 1faf h GLN 37 Ca 0.06 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1faf h GLN 37 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1faf h GLN 37 CO 0.02 0.00 -0.24 0.77 -0.95 0.00 0.00 178.83 178.43 1faf h SER 38 N 0.00 0.00 0.61 1.46 0.02 -1.18 0.14 113.55 114.60 1faf h SER 38 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1faf h SER 38 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1faf h SER 38 CO 0.00 0.24 -0.83 -0.07 -1.14 0.00 0.00 176.83 175.03 1faf h LEU 39 N 0.00 0.20 0.00 5.07 4.07 -1.50 -3.07 115.31 120.08 1faf h LEU 39 Ca -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1faf h LEU 39 Cb 0.47 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1faf h LEU 39 CO 0.03 0.94 -0.95 0.17 -1.08 0.00 0.00 178.44 177.55 1faf h LEU 40 N 0.09 0.00 -2.44 1.67 8.10 -1.56 -3.30 115.31 117.87 1faf h LEU 40 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1faf h LEU 40 Cb 1.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.66 1faf h LEU 40 CO 0.12 0.02 0.00 0.18 -4.11 0.00 0.00 178.44 174.66 1faf n LEU 41 N -2.57 3.69 -4.77 0.17 4.77 0.46 -3.77 117.00 114.99 1faf n LEU 41 Ca 0.01 -1.86 -0.39 0.00 -0.03 0.00 0.00 56.01 53.74 1faf n LEU 41 Cb 0.53 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1faf n LEU 41 CO 0.39 0.62 0.28 -2.28 -1.33 0.00 0.00 177.39 175.08 1faf s HIS 42 N -1.79 3.68 0.58 -1.77 2.46 -1.16 -4.15 115.29 113.14 1faf s HIS 42 Ca 0.38 1.19 0.34 0.00 0.47 0.00 0.00 55.06 57.44 1faf s HIS 42 Cb 0.25 -2.59 1.35 0.00 -0.13 0.00 0.00 32.58 31.45 1faf s HIS 42 CO 0.18 0.36 1.61 -1.35 -2.47 0.00 0.00 174.74 173.07 1faf h PRO 43 N 5.61 0.00 0.00 2.88 0.11 -1.88 1.11 132.00 139.83 1faf h PRO 43 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1faf h PRO 43 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1faf h PRO 43 CO 0.69 0.00 -0.54 0.22 -0.21 0.00 0.00 178.00 178.17 1faf h ASP 44 N 0.00 0.00 -0.74 -2.05 1.82 -1.92 -3.30 116.42 110.23 1faf h ASP 44 Ca 0.52 0.00 -0.40 0.00 -0.39 0.00 0.00 57.03 56.76 1faf h ASP 44 Cb 2.51 0.00 -0.24 0.00 0.68 0.00 0.00 39.33 42.29 1faf h ASP 44 CO -0.01 0.24 0.34 0.29 -1.61 0.00 0.00 179.24 178.50 1faf n LYS 45 N -3.04 2.17 -2.71 0.28 4.01 0.37 -4.89 118.16 114.35 1faf n LYS 45 Ca 0.01 -3.14 -0.13 0.00 -0.51 0.00 0.00 58.31 54.54 1faf n LYS 45 Cb 0.64 -2.05 0.02 0.00 -0.51 0.00 0.00 35.03 33.13 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 -1.11 0.01 3.92 0.72 0.00 -1.11 -4.72 105.19 102.90 1faf n GLY 46 Ca 0.50 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.85 1.98 0.41 -0.02 0.00 -0.34 -4.91 107.32 101.59 1faf s GLY 47 Ca 0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1faf s GLY 47 CO 0.22 -0.82 0.70 -0.56 0.00 0.00 0.00 173.10 172.64 1faf s SER 48 N -2.83 6.35 -0.04 1.64 0.01 -1.26 -3.98 113.70 113.59 1faf s SER 48 Ca 0.36 0.84 -0.05 0.00 1.31 0.00 0.00 55.95 58.41 1faf s SER 48 Cb -0.12 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1faf s SER 48 CO 0.28 -0.42 0.29 -0.74 0.41 0.00 0.00 173.24 173.06 1faf h HIS 49 N 0.78 -0.17 -1.00 2.43 2.76 -1.99 -2.80 115.15 115.16 1faf h HIS 49 Ca -0.48 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 57.94 1faf h HIS 49 Cb 1.20 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 30.14 1faf h HIS 49 CO 0.57 -0.10 0.66 0.00 -1.30 0.00 0.00 177.93 177.75 1faf h ALA 50 N -1.44 2.31 0.02 5.26 0.00 -1.98 0.28 119.26 123.71 1faf h ALA 50 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1faf h ALA 50 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1faf h ALA 50 CO 0.03 -0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 178.54 1faf h LEU 51 N 0.36 -0.02 -0.76 0.00 4.07 -1.97 0.22 115.31 117.22 1faf h LEU 51 Ca 0.54 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 58.14 1faf h LEU 51 Cb 1.44 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.16 1faf h LEU 51 CO -0.22 0.28 0.08 -0.03 -1.08 0.00 0.00 178.44 177.47 1faf h MET 52 N -0.32 1.03 -0.06 1.13 4.05 -0.89 -2.56 114.93 117.31 1faf h MET 52 Ca -0.00 -0.27 -0.17 0.00 -0.28 0.00 0.00 59.70 58.98 1faf h MET 52 Cb 0.30 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1faf h MET 52 CO 0.00 0.95 -0.70 1.96 0.23 0.00 0.00 176.91 179.36 1faf h GLN 53 N 0.96 0.30 -0.79 0.39 1.08 -0.98 -3.00 115.11 113.07 1faf h GLN 53 Ca 0.19 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1faf h GLN 53 Cb 0.44 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 1faf h GLN 53 CO 0.01 0.88 0.36 1.49 -0.95 0.00 0.00 178.83 180.63 1faf h GLU 54 N 0.21 1.16 -0.43 1.46 4.57 -0.32 -1.52 114.58 119.71 1faf h GLU 54 Ca -0.02 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1faf h GLU 54 Cb 1.25 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1faf h GLU 54 CO 0.11 0.91 0.06 1.25 -1.18 0.00 0.00 179.01 180.16 1faf h LEU 55 N 1.13 0.69 -1.25 1.64 5.85 -1.44 -1.06 115.31 120.87 1faf h LEU 55 Ca 0.27 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1faf h LEU 55 Cb 0.15 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1faf h LEU 55 CO -0.03 0.78 0.13 -1.13 -0.34 0.00 0.00 178.44 177.85 1faf h ASN 56 N 0.57 0.59 -0.16 1.25 -0.73 -1.36 0.49 115.58 116.22 1faf h ASN 56 Ca 0.13 -0.08 -0.18 0.00 1.87 0.00 0.00 56.30 58.03 1faf h ASN 56 Cb 0.39 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1faf h ASN 56 CO 0.01 0.58 -0.59 0.77 -0.37 0.00 0.00 177.43 177.83 1faf h SER 57 N 0.63 0.86 1.14 1.15 4.64 -1.01 0.58 113.55 121.55 1faf h SER 57 Ca 0.15 -0.48 -0.14 0.00 -0.47 0.00 0.00 61.79 60.85 1faf h SER 57 Cb 0.21 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1faf h SER 57 CO -0.01 1.26 -0.66 -0.07 -0.87 0.00 0.00 176.83 176.48 1faf h LEU 58 N 0.58 0.00 0.00 5.97 3.38 -0.76 -3.03 115.31 121.45 1faf h LEU 58 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1faf h LEU 58 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1faf h LEU 58 CO 0.12 0.66 -1.15 -0.25 0.09 0.00 0.00 178.44 177.91 1faf h TRP 59 N 0.00 0.00 0.31 1.13 2.91 0.03 -3.17 115.95 117.16 1faf h TRP 59 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1faf h TRP 59 Cb 1.41 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.07 1faf h TRP 59 CO 0.00 0.36 -0.15 0.78 -1.03 0.00 0.00 178.44 178.40 1faf h GLY 60 N 3.80 -0.44 0.25 2.65 0.00 0.19 0.34 103.07 109.87 1faf h GLY 60 Ca -0.09 0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.48 1faf h GLY 60 CO 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 176.54 176.33 1faf h THR 61 N -0.75 0.63 -0.52 4.70 1.03 -1.73 0.71 112.91 116.98 1faf h THR 61 Ca -0.04 -0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.45 1faf h THR 61 Cb 0.32 0.62 -0.10 0.00 -1.07 0.00 0.00 68.15 67.91 1faf h THR 61 CO 0.07 0.00 -0.36 0.15 -0.01 0.00 0.00 175.52 175.37 1faf h PHE 62 N 0.01 -1.03 -0.94 0.00 3.57 -1.62 0.22 116.94 117.16 1faf h PHE 62 Ca 0.18 0.07 0.18 0.00 3.53 0.00 0.00 57.97 61.93 1faf h PHE 62 Cb 0.28 0.53 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 1faf h PHE 62 CO -0.33 -0.40 0.52 -0.22 -2.23 0.00 0.00 178.31 175.65 1faf h LYS 63 N -0.22 0.65 -1.03 1.11 3.64 0.19 0.44 116.57 121.36 1faf h LYS 63 Ca 0.20 -0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.79 1faf h LYS 63 Cb 0.56 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1faf h LYS 63 CO -0.64 0.43 0.65 1.15 -2.27 0.00 0.00 179.45 178.77 1faf h THR 64 N 0.67 0.55 0.01 1.00 2.02 0.10 0.83 112.91 118.09 1faf h THR 64 Ca 0.54 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 67.30 1faf h THR 64 Cb 0.84 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1faf h THR 64 CO -0.40 0.08 -1.41 -0.33 0.37 0.00 0.00 175.52 173.83 1faf h GLU 65 N 0.45 0.02 0.24 6.66 4.39 -0.16 -3.34 114.58 122.85 1faf h GLU 65 Ca 0.60 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.26 1faf h GLU 65 Cb 1.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 1faf h GLU 65 CO -0.32 0.75 -0.18 0.28 -1.16 0.00 0.00 179.01 178.38 1faf h VAL 66 N 0.01 0.61 -0.68 3.13 2.07 0.38 1.36 116.25 123.14 1faf h VAL 66 Ca -0.17 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.49 1faf h VAL 66 Cb 1.92 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1faf h VAL 66 CO 0.11 0.00 0.46 1.88 0.02 0.00 0.00 177.57 180.03 1faf h TYR 67 N -0.43 0.38 0.00 1.57 0.05 -0.79 0.29 116.97 118.04 1faf h TYR 67 Ca -0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1faf h TYR 67 Cb 0.38 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1faf h TYR 67 CO -0.12 0.15 -0.99 0.09 -1.05 0.00 0.00 178.16 176.24 1faf n ASN 68 N -4.46 0.75 0.02 3.88 3.02 -0.80 -4.07 115.26 113.61 1faf n ASN 68 Ca 0.12 0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.88 1faf n ASN 68 Cb 0.51 0.52 0.29 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 0.46 0.00 3.41 8.10 0.40 -1.60 115.31 126.07 1faf h LEU 69 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 69 Cb 0.92 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1faf h LEU 69 CO 0.00 0.58 0.00 0.54 -4.11 0.00 0.00 178.44 175.45 1faf n ARG 70 N -4.25 0.64 -0.04 0.17 1.74 -1.15 -2.16 116.66 111.61 1faf n ARG 70 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1faf n ARG 70 Cb 0.28 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.14 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 -0.95 0.97 -2.39 5.56 2.81 -0.61 -4.95 117.12 117.55 1faf n MET 71 Ca 0.14 -0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 1faf n MET 71 Cb 0.06 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 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 -4.44 7.04 -0.05 7.83 -0.87 -0.92 -4.90 114.94 118.63 1faf s ASN 72 Ca -0.07 2.02 0.01 0.00 -1.57 0.00 0.00 52.86 53.25 1faf s ASN 72 Cb 0.08 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 1faf s ASN 72 CO 0.67 -0.52 -0.03 0.18 -2.57 0.00 0.00 177.10 174.84 1faf n LEU 73 N 4.24 2.10 0.00 0.60 7.99 -1.26 -5.03 117.00 125.64 1faf n LEU 73 Ca 0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1faf n LEU 73 Cb 0.46 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1faf n LEU 73 CO 0.56 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 177.49 1faf n GLY 74 N 3.12 2.45 0.00 -0.72 0.00 -1.26 -5.08 105.19 103.69 1faf n GLY 74 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.36 3.75 -0.02 0.00 -1.26 -5.14 105.19 102.88 1faf n GLY 75 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.33 0.00 2.61 -4.23 -1.26 -4.25 115.64 111.84 1faf s THR 76 Ca 0.00 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1faf s THR 76 Cb 0.00 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1faf s THR 76 CO 0.00 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1faf n GLY 77 N 1.77 2.66 3.17 3.99 0.00 -1.26 -5.13 105.19 110.39 1faf n GLY 77 Ca 0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1faf n GLY 77 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1faf n PHE 78 N 0.00 -3.57 1.10 1.61 3.72 -1.26 -5.36 117.46 113.71 1faf n PHE 78 Ca 0.00 -0.67 0.09 0.00 -0.05 0.00 0.00 57.45 56.82 1faf n PHE 78 Cb 0.00 -1.35 0.52 0.00 -0.94 0.00 0.00 39.48 37.72 1faf n PHE 78 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65