#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 6.34 -0.48 7.83 1.11 -1.26 -4.92 116.67 125.30 1faf s ASP 2 Ca 0.00 2.17 0.08 0.00 0.18 0.00 0.00 52.55 54.97 1faf s ASP 2 Cb 0.00 -2.53 0.27 0.00 1.07 0.00 0.00 42.92 41.73 1faf s ASP 2 CO 0.00 -1.20 0.66 0.54 1.18 0.00 0.00 175.17 176.34 1faf n ARG 3 N 7.64 1.55 -3.71 8.23 5.12 -1.26 -5.05 116.66 129.17 1faf n ARG 3 Ca 0.20 -3.85 -0.21 0.00 -1.93 0.00 0.00 57.85 52.06 1faf n ARG 3 Cb 0.43 -1.70 -0.18 0.00 -1.16 0.00 0.00 32.46 29.85 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1faf s VAL 4 N -2.04 0.10 0.30 1.55 -7.23 -1.26 -4.90 120.40 106.93 1faf s VAL 4 Ca 0.38 0.28 -0.23 0.00 -1.81 0.00 0.00 61.98 60.60 1faf s VAL 4 Cb 0.19 -0.33 -0.09 0.00 0.56 0.00 0.00 36.38 36.71 1faf s VAL 4 CO -0.08 0.20 0.86 -1.48 -0.31 0.00 0.00 175.10 174.30 1faf s LEU 5 N 2.08 4.30 0.00 1.32 0.05 -1.26 -5.08 118.68 120.10 1faf s LEU 5 Ca 0.05 1.67 -0.02 0.00 0.05 0.00 0.00 54.13 55.88 1faf s LEU 5 Cb -0.12 -3.92 0.08 0.00 -2.05 0.00 0.00 46.19 40.18 1faf s LEU 5 CO -0.04 -0.06 0.54 -1.54 -0.55 0.00 0.00 176.35 174.70 1faf n SER 6 N 0.49 0.57 0.26 1.48 3.41 -1.26 -4.72 113.62 113.84 1faf n SER 6 Ca 0.01 -1.52 0.09 0.00 -0.26 0.00 0.00 58.87 57.20 1faf n SER 6 Cb 0.51 -0.37 0.69 0.00 -0.26 0.00 0.00 64.21 64.78 1faf n SER 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1faf h ARG 7 N 0.00 0.00 0.00 4.33 2.43 -1.98 0.59 114.38 119.75 1faf h ARG 7 Ca -0.18 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1faf h ARG 7 Cb 0.62 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1faf h ARG 7 CO 0.18 0.02 -0.58 0.00 -1.51 0.00 0.00 179.97 178.08 1faf h ALA 8 N 1.98 0.78 0.03 2.80 0.00 -1.99 -2.68 119.26 120.17 1faf h ALA 8 Ca -0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 1faf h ALA 8 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1faf h ALA 8 CO 0.00 0.72 -1.30 -0.44 0.00 0.00 0.00 179.25 178.24 1faf h ASP 9 N 0.00 0.10 -0.51 0.00 5.19 -1.60 -3.15 116.42 116.44 1faf h ASP 9 Ca -0.01 -0.64 0.02 0.00 -0.62 0.00 0.00 57.03 55.79 1faf h ASP 9 Cb 1.24 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 1faf h ASP 9 CO 0.08 1.52 0.34 0.07 -3.12 0.00 0.00 179.24 178.13 1faf h LYS 10 N -0.78 0.61 -0.11 3.56 2.10 -1.05 0.65 116.57 121.54 1faf h LYS 10 Ca -0.33 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.16 1faf h LYS 10 Cb 1.43 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1faf h LYS 10 CO -0.13 0.40 -0.45 1.05 -2.00 0.00 0.00 179.45 178.32 1faf h GLU 11 N 0.63 0.27 -0.14 0.07 4.11 -1.63 -2.34 114.58 115.54 1faf h GLU 11 Ca 0.20 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 1faf h GLU 11 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1faf h GLU 11 CO -0.05 0.67 -0.08 -0.09 0.07 0.00 0.00 179.01 179.53 1faf h ARG 12 N 0.22 0.22 -0.11 1.06 2.43 -0.85 -1.07 114.38 116.28 1faf h ARG 12 Ca 0.02 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1faf h ARG 12 Cb 0.89 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1faf h ARG 12 CO 0.07 0.31 -0.46 1.25 -1.51 0.00 0.00 179.97 179.63 1faf h LEU 13 N 0.21 0.29 -0.32 3.80 5.85 -0.82 -3.02 115.31 121.30 1faf h LEU 13 Ca 0.05 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1faf h LEU 13 Cb 0.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1faf h LEU 13 CO 0.01 0.72 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.67 1faf h LEU 14 N 0.22 0.64 0.03 2.25 3.38 -0.99 -1.55 115.31 119.29 1faf h LEU 14 Ca 0.01 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1faf h LEU 14 Cb 0.91 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1faf h LEU 14 CO 0.07 0.86 -0.25 -0.08 0.09 0.00 0.00 178.44 179.14 1faf h GLU 15 N 0.41 -0.39 0.00 1.13 4.57 -1.28 0.22 114.58 119.24 1faf h GLU 15 Ca 0.08 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1faf h GLU 15 Cb 0.59 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1faf h GLU 15 CO 0.03 -0.26 0.00 -0.07 -1.18 0.00 0.00 179.01 177.53 1faf h LEU 16 N -0.40 0.00 -0.71 1.64 4.07 -1.54 -2.19 115.31 116.17 1faf h LEU 16 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1faf h LEU 16 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1faf h LEU 16 CO -0.21 0.00 -0.14 0.18 -1.08 0.00 0.00 178.44 177.20 1faf n LEU 17 N -2.56 1.24 -1.42 1.67 7.99 -0.05 -4.79 117.00 119.08 1faf n LEU 17 Ca 0.01 -0.37 -0.09 0.00 -0.01 0.00 0.00 56.01 55.55 1faf n LEU 17 Cb 0.23 -0.07 -0.04 0.00 -0.11 0.00 0.00 43.42 43.43 1faf n LEU 17 CO 0.21 0.22 -0.09 0.29 -1.51 0.00 0.00 177.39 176.51 1faf n LYS 18 N -0.27 -1.36 -3.82 3.23 4.01 -0.50 -4.69 118.16 114.77 1faf n LYS 18 Ca 0.15 0.54 -0.36 0.00 -0.51 0.00 0.00 58.31 58.13 1faf n LYS 18 Cb 0.35 -4.77 -0.13 0.00 -0.51 0.00 0.00 35.03 29.97 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 -3.52 4.12 1.06 -0.35 0.20 -1.12 -5.08 118.68 113.99 1faf s LEU 19 Ca 0.00 -1.19 -0.20 0.00 0.69 0.00 0.00 54.13 53.43 1faf s LEU 19 Cb 0.00 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.96 1faf s LEU 19 CO 0.00 -0.29 -0.36 -2.65 -0.29 0.00 0.00 176.35 172.75 1faf n PRO 20 N 4.73 -0.90 0.00 0.98 -0.02 -1.26 -4.67 135.00 133.86 1faf n PRO 20 Ca -0.13 -0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.23 1faf n PRO 20 Cb 0.44 -1.51 0.38 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.59 0.59 0.06 -0.52 0.00 -1.26 -3.89 116.66 111.06 1faf n ARG 21 Ca 0.01 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.85 57.44 1faf n ARG 21 Cb 0.64 -1.49 0.02 0.00 -0.00 0.00 0.00 32.46 31.62 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1faf h GLN 22 N 0.79 0.35 -0.63 2.89 4.15 -2.05 -3.14 115.11 117.47 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 0.49 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1faf h GLN 22 CO 0.00 0.97 0.00 1.47 -1.93 0.00 0.00 178.83 179.34 1faf n LEU 23 N -3.79 4.30 -4.46 -2.39 -0.00 -1.25 -4.98 117.00 104.42 1faf n LEU 23 Ca -0.04 -2.28 -0.49 0.00 -0.00 0.00 0.00 56.01 53.19 1faf n LEU 23 Cb 0.74 -0.51 -0.07 0.00 -0.00 0.00 0.00 43.42 43.57 1faf n LEU 23 CO 0.48 0.86 1.82 1.87 -0.00 0.00 0.00 177.39 182.42 1faf n TRP 24 N 1.17 1.62 0.00 1.47 -0.00 -1.19 -2.67 117.44 117.84 1faf n TRP 24 Ca 0.24 0.23 0.00 0.00 -0.00 0.00 0.00 57.50 57.96 1faf n TRP 24 Cb 0.76 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.51 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 6.45 0.89 3.56 5.87 0.00 -1.26 -5.09 105.19 115.62 1faf n GLY 25 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 6.27 0.27 1.61 -1.08 -1.09 -4.86 116.67 117.80 1faf s ASP 26 Ca 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.91 1faf s ASP 26 Cb 0.00 -2.57 0.62 0.00 -1.46 0.00 0.00 42.92 39.52 1faf s ASP 26 CO 0.00 -1.71 1.69 0.15 0.52 0.00 0.00 175.17 175.82 1faf h PHE 27 N 10.13 0.52 -0.27 -5.34 3.57 -1.97 0.12 116.94 123.70 1faf h PHE 27 Ca 0.08 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1faf h PHE 27 Cb 1.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1faf h PHE 27 CO 1.24 -0.05 -0.05 0.78 -2.23 0.00 0.00 178.31 178.00 1faf h GLY 28 N 0.36 0.45 0.32 2.40 0.00 -1.99 -1.32 103.07 103.29 1faf h GLY 28 Ca 0.50 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1faf h GLY 28 CO -0.52 0.25 -0.00 -0.09 0.00 0.00 0.00 176.54 176.18 1faf h ARG 29 N 0.40 0.00 -0.32 4.80 2.43 -1.22 -2.73 114.38 117.75 1faf h ARG 29 Ca 0.09 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1faf h ARG 29 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1faf h ARG 29 CO 0.01 0.69 0.20 0.00 -1.51 0.00 0.00 179.97 179.36 1faf h MET 30 N -0.68 0.43 -0.80 0.20 -0.00 -1.13 -2.21 114.93 110.73 1faf h MET 30 Ca -0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1faf h MET 30 Cb 0.69 -0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 32.15 1faf h MET 30 CO 0.00 0.33 0.52 0.37 -0.00 0.00 0.00 176.91 178.13 1faf h GLN 31 N 0.42 1.02 -0.87 -0.10 4.15 -1.35 0.65 115.11 119.03 1faf h GLN 31 Ca 0.12 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.52 1faf h GLN 31 Cb 0.00 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 27.40 1faf h GLN 31 CO -0.02 0.67 0.55 0.37 -1.93 0.00 0.00 178.83 178.47 1faf h GLN 32 N 1.05 1.00 0.03 1.69 4.15 -1.15 0.04 115.11 121.92 1faf h GLN 32 Ca 0.31 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.47 1faf h GLN 32 Cb -0.06 -0.22 0.02 0.00 0.21 0.00 0.00 27.48 27.42 1faf h GLN 32 CO -0.09 0.66 -0.79 0.00 -1.93 0.00 0.00 178.83 176.68 1faf h ALA 33 N 1.39 0.05 -0.63 3.38 0.00 -0.75 -2.82 119.26 119.87 1faf h ALA 33 Ca 0.36 -0.64 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1faf h ALA 33 Cb 0.10 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1faf h ALA 33 CO -0.15 0.46 0.23 -0.92 0.00 0.00 0.00 179.25 178.87 1faf h TYR 34 N -0.00 0.39 -0.23 0.00 5.03 0.67 0.13 116.97 122.96 1faf h TYR 34 Ca -0.11 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 1faf h TYR 34 Cb 1.51 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.69 1faf h TYR 34 CO 0.14 0.08 -0.19 0.87 -1.32 0.00 0.00 178.16 177.74 1faf h LYS 35 N 0.40 0.40 0.14 1.82 1.57 -1.06 0.15 116.57 119.99 1faf h LYS 35 Ca 0.32 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1faf h LYS 35 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1faf h LYS 35 CO -0.33 0.58 -0.07 1.96 -0.57 0.00 0.00 179.45 181.02 1faf h GLN 36 N 0.36 -0.18 0.00 3.15 1.08 -0.67 -2.83 115.11 116.02 1faf h GLN 36 Ca 0.06 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1faf h GLN 36 Cb 0.55 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1faf h GLN 36 CO 0.04 0.17 -0.10 1.96 -0.95 0.00 0.00 178.83 179.95 1faf h GLN 37 N -0.57 0.00 0.00 1.46 1.08 -0.82 -2.99 115.11 113.28 1faf h GLN 37 Ca -0.02 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1faf h GLN 37 Cb 0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1faf h GLN 37 CO 0.03 0.10 -0.40 0.66 -0.95 0.00 0.00 178.83 178.27 1faf h SER 38 N 0.00 0.00 0.93 1.46 4.64 -0.67 -2.17 113.55 117.74 1faf h SER 38 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1faf h SER 38 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1faf h SER 38 CO 0.01 0.40 -0.98 -0.07 -0.87 0.00 0.00 176.83 175.32 1faf h LEU 39 N 0.00 0.04 0.00 5.97 3.38 -1.34 -3.15 115.31 120.21 1faf h LEU 39 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1faf h LEU 39 Cb 0.89 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1faf h LEU 39 CO 0.05 0.99 -0.45 0.17 0.09 0.00 0.00 178.44 179.29 1faf h LEU 40 N 0.01 0.00 -1.61 1.67 8.10 -1.54 -3.27 115.31 118.66 1faf h LEU 40 Ca -0.02 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 40 Cb 1.72 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.94 1faf h LEU 40 CO 0.13 0.04 0.00 0.18 -4.11 0.00 0.00 178.44 174.68 1faf n LEU 41 N -2.47 2.46 -4.73 0.17 4.77 -0.83 -4.21 117.00 112.16 1faf n LEU 41 Ca 0.03 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 1faf n LEU 41 Cb 0.48 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1faf n LEU 41 CO 0.35 0.46 0.65 -2.28 -1.33 0.00 0.00 177.39 175.24 1faf s HIS 42 N -1.85 3.80 0.62 -1.77 2.46 -1.19 -3.99 115.29 113.36 1faf s HIS 42 Ca 0.34 1.77 0.14 0.00 0.47 0.00 0.00 55.06 57.78 1faf s HIS 42 Cb 0.20 -3.04 0.78 0.00 -0.13 0.00 0.00 32.58 30.40 1faf s HIS 42 CO 0.31 0.20 1.42 -1.35 -2.47 0.00 0.00 174.74 172.85 1faf h PRO 43 N 5.64 0.00 0.00 2.88 0.11 -1.90 0.85 132.00 139.58 1faf h PRO 43 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 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 0.72 0.00 -0.36 -0.44 -0.21 0.00 0.00 178.00 177.71 1faf h ASP 44 N 0.00 0.00 -0.24 -2.05 5.19 -1.92 -3.29 116.42 114.11 1faf h ASP 44 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1faf h ASP 44 Cb 1.30 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.72 1faf h ASP 44 CO 0.00 0.19 -0.33 0.29 -3.12 0.00 0.00 179.24 176.28 1faf n LYS 45 N -3.08 1.90 -2.49 3.56 4.76 0.29 -5.01 118.16 118.09 1faf n LYS 45 Ca 0.02 -3.34 -0.01 0.00 -2.87 0.00 0.00 58.31 52.11 1faf n LYS 45 Cb 0.62 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.52 3.59 0.72 0.00 -1.11 -4.76 105.19 99.02 1faf n GLY 46 Ca 0.28 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.49 -0.24 0.21 -0.02 0.00 -1.24 -4.68 107.32 99.86 1faf s GLY 47 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.60 1faf s GLY 47 CO 0.63 -0.09 0.57 -0.56 0.00 0.00 0.00 173.10 173.65 1faf s SER 48 N -2.85 6.71 0.03 1.64 0.01 -1.26 -4.40 113.70 113.59 1faf s SER 48 Ca 0.07 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.17 1faf s SER 48 Cb -0.02 -2.26 -0.26 0.00 0.21 0.00 0.00 66.02 63.69 1faf s SER 48 CO -0.03 -0.03 1.10 0.45 0.41 0.00 0.00 173.24 175.14 1faf h HIS 49 N 2.86 0.80 -0.49 2.43 3.86 -2.00 -3.14 115.15 119.46 1faf h HIS 49 Ca -0.48 -0.46 0.14 0.00 -1.16 0.00 0.00 60.37 58.42 1faf h HIS 49 Cb 1.18 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 1faf h HIS 49 CO 0.63 1.30 0.38 0.00 0.86 0.00 0.00 177.93 181.10 1faf h ALA 50 N 0.30 2.40 0.01 2.45 0.00 -1.97 -1.49 119.26 120.97 1faf h ALA 50 Ca -0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1faf h ALA 50 Cb 1.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1faf h ALA 50 CO 0.17 -0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 178.71 1faf h LEU 51 N 0.00 -0.01 -2.21 0.00 4.07 -1.94 -2.66 115.31 112.56 1faf h LEU 51 Ca 0.23 -0.79 0.05 0.00 0.08 0.00 0.00 57.88 57.45 1faf h LEU 51 Cb 1.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1faf h LEU 51 CO -0.00 0.81 0.15 -0.03 -1.08 0.00 0.00 178.44 178.29 1faf h MET 52 N -0.87 0.00 0.11 1.13 4.05 -1.34 -0.23 114.93 117.79 1faf h MET 52 Ca -0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 1faf h MET 52 Cb 0.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1faf h MET 52 CO 0.00 0.00 -1.21 1.96 0.23 0.00 0.00 176.91 177.89 1faf h GLN 53 N 0.00 0.24 0.02 0.39 1.08 -1.34 -2.96 115.11 112.54 1faf h GLN 53 Ca 0.08 -0.41 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1faf h GLN 53 Cb 0.38 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1faf h GLN 53 CO -0.00 1.20 -0.01 1.49 -0.95 0.00 0.00 178.83 180.56 1faf h GLU 54 N 0.07 -0.03 -0.19 1.46 4.81 -0.71 -1.71 114.58 118.27 1faf h GLU 54 Ca -0.12 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1faf h GLU 54 Cb 1.95 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.31 1faf h GLU 54 CO 0.20 0.43 0.04 1.25 -0.73 0.00 0.00 179.01 180.20 1faf h LEU 55 N -0.50 0.02 -1.32 1.64 5.85 -1.37 0.74 115.31 120.37 1faf h LEU 55 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1faf h LEU 55 Cb 0.47 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1faf h LEU 55 CO 0.01 0.04 0.26 -1.13 -0.34 0.00 0.00 178.44 177.27 1faf h ASN 56 N 0.12 0.64 0.02 1.25 -0.73 -1.58 0.88 115.58 116.19 1faf h ASN 56 Ca 0.09 -0.05 -0.25 0.00 1.87 0.00 0.00 56.30 57.95 1faf h ASN 56 Cb 0.08 -0.16 0.02 0.00 0.27 0.00 0.00 38.32 38.52 1faf h ASN 56 CO -0.11 0.55 -1.00 0.28 -0.37 0.00 0.00 177.43 176.77 1faf h SER 57 N 0.72 0.84 1.31 1.15 0.02 -0.63 -0.26 113.55 116.70 1faf h SER 57 Ca 0.18 -0.76 -0.07 0.00 -0.84 0.00 0.00 61.79 60.30 1faf h SER 57 Cb 0.07 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1faf h SER 57 CO -0.03 1.50 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.76 1faf h LEU 58 N 0.27 0.00 0.00 5.07 3.38 0.82 -2.89 115.31 121.96 1faf h LEU 58 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1faf h LEU 58 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1faf h LEU 58 CO 0.20 0.33 -0.92 1.87 0.09 0.00 0.00 178.44 180.00 1faf n TRP 59 N -3.29 0.77 -0.00 1.13 -0.00 0.30 -3.19 117.44 113.17 1faf n TRP 59 Ca 0.01 0.22 -0.01 0.00 -0.00 0.00 0.00 57.50 57.72 1faf n TRP 59 Cb 0.58 -0.81 -0.01 0.00 -0.00 0.00 0.00 31.31 31.07 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 4.20 -0.10 0.57 5.87 0.00 -0.91 -1.97 103.07 110.73 1faf h GLY 60 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1faf h GLY 60 CO 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 176.54 176.40 1faf h THR 61 N -0.87 0.69 -0.79 4.70 1.03 -1.71 -1.06 112.91 114.90 1faf h THR 61 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.07 0.69 -0.13 0.00 -1.07 0.00 0.00 68.15 67.71 1faf h THR 61 CO 0.02 0.00 -0.39 0.15 -0.01 0.00 0.00 175.52 175.29 1faf h PHE 62 N -0.13 -1.11 -0.76 0.00 3.57 -1.70 0.45 116.94 117.26 1faf h PHE 62 Ca 0.08 0.09 0.14 0.00 3.53 0.00 0.00 57.97 61.82 1faf h PHE 62 Cb 0.25 0.60 -0.09 0.00 2.79 0.00 0.00 35.95 39.49 1faf h PHE 62 CO -0.23 -0.40 0.32 -0.22 -2.23 0.00 0.00 178.31 175.55 1faf h LYS 63 N -0.09 0.45 -1.07 1.11 3.64 -0.43 0.20 116.57 120.39 1faf h LYS 63 Ca 0.27 -0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.92 1faf h LYS 63 Cb 0.57 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.17 1faf h LYS 63 CO -0.84 0.30 0.67 1.15 -2.27 0.00 0.00 179.45 178.46 1faf h THR 64 N 0.47 0.44 0.03 1.00 2.02 0.10 1.10 112.91 118.06 1faf h THR 64 Ca 0.42 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 67.20 1faf h THR 64 Cb 0.63 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1faf h THR 64 CO -0.40 0.07 -1.44 -0.33 0.37 0.00 0.00 175.52 173.80 1faf h GLU 65 N 0.38 0.06 -0.36 6.66 4.39 -0.69 -3.35 114.58 121.66 1faf h GLU 65 Ca 0.66 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 60.31 1faf h GLU 65 Cb 1.63 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.26 1faf h GLU 65 CO -0.39 0.82 0.03 0.28 -1.16 0.00 0.00 179.01 178.59 1faf h VAL 66 N 0.02 0.76 -0.54 3.13 2.07 0.40 0.91 116.25 123.00 1faf h VAL 66 Ca -0.19 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.42 1faf h VAL 66 Cb 1.93 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1faf h VAL 66 CO 0.11 0.02 0.38 1.88 0.02 0.00 0.00 177.57 179.99 1faf h TYR 67 N 0.13 0.14 0.00 1.57 -1.99 -0.97 0.38 116.97 116.24 1faf h TYR 67 Ca 0.17 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 1faf h TYR 67 Cb 0.23 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 1faf h TYR 67 CO -0.23 0.06 -1.28 0.09 -0.00 0.00 0.00 178.16 176.81 1faf n ASN 68 N -4.42 0.77 0.11 3.88 3.02 -0.04 -4.08 115.26 114.51 1faf n ASN 68 Ca 0.10 0.32 0.04 0.00 -0.03 0.00 0.00 54.58 55.00 1faf n ASN 68 Cb 0.52 0.46 0.46 0.00 -0.61 0.00 0.00 39.78 40.60 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 0.26 0.00 3.41 8.10 0.30 -0.00 115.31 127.38 1faf h LEU 69 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1faf h LEU 69 Cb 1.27 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1faf h LEU 69 CO 0.02 0.29 0.00 0.54 -4.11 0.00 0.00 178.44 175.18 1faf n ARG 70 N -4.40 0.61 0.00 0.17 3.00 -1.13 -3.03 116.66 111.88 1faf n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1faf n ARG 70 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.18 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 1.14 -1.11 5.56 2.81 -0.27 -4.71 117.12 119.60 1faf n MET 71 Ca 0.13 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.76 1faf n MET 71 Cb 0.06 -0.99 0.06 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.33 7.03 0.00 7.83 4.13 -0.18 -4.48 115.26 127.26 1faf n ASN 72 Ca 0.00 -3.43 0.00 0.00 1.68 0.00 0.00 54.58 52.83 1faf n ASN 72 Cb 0.49 -1.01 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1faf n LEU 73 N -0.30 0.00 -3.76 3.41 4.77 -1.18 -4.95 117.00 115.00 1faf n LEU 73 Ca 0.47 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1faf n LEU 73 Cb 0.63 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 1faf n LEU 73 CO 0.59 -0.33 -0.19 -0.83 -1.33 0.00 0.00 177.39 175.30 1faf s GLY 74 N -3.18 -0.07 0.00 -0.72 0.00 -1.26 -5.01 107.32 97.07 1faf s GLY 74 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1faf s GLY 74 CO 0.00 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1faf n GLY 75 N 3.99 0.03 3.76 0.20 0.00 -1.26 -4.82 105.19 107.09 1faf n GLY 75 Ca -0.24 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.00 3.45 0.00 2.61 -4.23 -1.26 -4.95 115.64 110.26 1faf s THR 76 Ca 0.00 1.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1faf s THR 76 Cb 0.00 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1faf s THR 76 CO 0.00 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1faf n GLY 77 N 0.97 0.00 3.57 3.99 0.00 -1.26 -5.02 105.19 107.45 1faf n GLY 77 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1faf n GLY 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1faf s PHE 78 N -1.96 3.23 -2.00 1.61 -0.71 -1.26 -5.33 117.98 111.55 1faf s PHE 78 Ca 0.00 0.09 0.11 0.00 -1.04 0.00 0.00 56.93 56.09 1faf s PHE 78 Cb 0.00 -2.48 0.64 0.00 -1.21 0.00 0.00 43.02 39.97 1faf s PHE 78 CO 0.00 -0.25 1.08 0.00 -1.34 0.00 0.00 175.22 174.71