#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 -2.00 -4.36 7.83 9.92 -1.26 -4.92 116.55 121.75 1faf n ASP 2 Ca 0.00 -0.61 -0.45 0.00 -0.53 0.00 0.00 54.79 53.20 1faf n ASP 2 Cb 0.00 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1faf n ASP 2 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1faf n ARG 3 N -3.14 3.52 -3.68 -1.24 0.63 -1.26 -4.95 116.66 106.55 1faf n ARG 3 Ca 0.06 -4.28 -0.22 0.00 -0.92 0.00 0.00 57.85 52.50 1faf n ARG 3 Cb 0.24 -2.70 -0.18 0.00 0.45 0.00 0.00 32.46 30.28 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1faf s VAL 4 N -0.48 -0.01 0.26 5.15 -7.23 -1.26 -4.90 120.40 111.92 1faf s VAL 4 Ca 0.35 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.46 1faf s VAL 4 Cb -0.07 -0.31 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 1faf s VAL 4 CO -0.05 0.10 0.98 -1.48 -0.31 0.00 0.00 175.10 174.34 1faf s LEU 5 N 2.12 4.59 0.87 1.32 0.05 -1.26 -5.03 118.68 121.35 1faf s LEU 5 Ca 0.04 2.02 -0.09 0.00 0.05 0.00 0.00 54.13 56.15 1faf s LEU 5 Cb -0.13 -3.66 0.18 0.00 -2.05 0.00 0.00 46.19 40.54 1faf s LEU 5 CO -0.05 0.06 1.20 -0.94 -0.55 0.00 0.00 176.35 176.07 1faf s SER 6 N -1.15 3.50 0.33 1.48 1.04 -1.26 -4.66 113.70 112.97 1faf s SER 6 Ca 0.43 -0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.82 1faf s SER 6 Cb -0.27 0.01 0.82 0.00 0.10 0.00 0.00 66.02 66.68 1faf s SER 6 CO 0.33 -2.45 1.78 -0.09 0.98 0.00 0.00 173.24 173.79 1faf h ARG 7 N -1.21 0.66 -0.07 4.02 2.43 -1.98 0.40 114.38 118.63 1faf h ARG 7 Ca -0.40 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1faf h ARG 7 Cb 1.24 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1faf h ARG 7 CO 0.35 0.44 -0.00 0.00 -1.51 0.00 0.00 179.97 179.25 1faf h ALA 8 N 1.65 0.09 0.61 2.80 0.00 -1.97 -0.54 119.26 121.90 1faf h ALA 8 Ca 0.58 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1faf h ALA 8 Cb 1.01 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1faf h ALA 8 CO -0.36 -0.23 -0.29 -0.44 0.00 0.00 0.00 179.25 177.92 1faf h ASP 9 N -0.17 -0.69 -0.63 0.00 5.19 -1.62 0.18 116.42 118.68 1faf h ASP 9 Ca 0.02 -0.02 0.12 0.00 -0.62 0.00 0.00 57.03 56.52 1faf h ASP 9 Cb 0.34 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.99 1faf h ASP 9 CO 0.00 -0.39 0.43 0.07 -3.12 0.00 0.00 179.24 176.23 1faf h LYS 10 N -0.98 0.36 -0.16 3.56 2.10 -1.05 0.47 116.57 120.87 1faf h LYS 10 Ca -0.08 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.42 1faf h LYS 10 Cb 0.67 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1faf h LYS 10 CO 0.14 0.24 -0.44 1.49 -2.00 0.00 0.00 179.45 178.88 1faf h GLU 11 N 0.37 0.37 -0.46 0.07 4.81 -0.80 -2.69 114.58 116.26 1faf h GLU 11 Ca 0.30 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1faf h GLU 11 Cb 0.67 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1faf h GLU 11 CO -0.08 0.74 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.78 1faf h ARG 12 N 0.31 0.80 -0.68 1.92 2.43 0.30 -2.35 114.38 117.11 1faf h ARG 12 Ca 0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1faf h ARG 12 Cb 0.89 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1faf h ARG 12 CO 0.07 0.85 0.44 1.25 -1.51 0.00 0.00 179.97 181.07 1faf h LEU 13 N 0.73 0.78 -0.71 3.80 5.85 -0.77 -1.65 115.31 123.35 1faf h LEU 13 Ca 0.13 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1faf h LEU 13 Cb 0.55 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1faf h LEU 13 CO 0.03 0.58 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.38 1faf h LEU 14 N 0.92 0.73 -1.15 2.25 3.38 -1.24 -1.65 115.31 118.55 1faf h LEU 14 Ca 0.25 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1faf h LEU 14 Cb -0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 1faf h LEU 14 CO -0.05 0.96 0.60 -0.33 0.09 0.00 0.00 178.44 179.70 1faf h GLU 15 N 0.62 0.87 0.00 1.13 4.39 -0.92 0.19 114.58 120.86 1faf h GLU 15 Ca 0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1faf h GLU 15 Cb 0.76 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1faf h GLU 15 CO 0.06 0.57 -0.42 -0.07 -1.16 0.00 0.00 179.01 178.00 1faf h LEU 16 N 0.89 0.00 -0.32 1.33 4.07 -1.35 -3.25 115.31 116.68 1faf h LEU 16 Ca 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.38 1faf h LEU 16 Cb 0.48 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1faf h LEU 16 CO -0.21 0.01 -0.30 0.18 -1.08 0.00 0.00 178.44 177.05 1faf n LEU 17 N -2.78 0.79 -1.37 1.67 7.99 0.32 -4.84 117.00 118.79 1faf n LEU 17 Ca 0.03 -0.14 -0.15 0.00 -0.01 0.00 0.00 56.01 55.73 1faf n LEU 17 Cb 0.52 -0.17 -0.07 0.00 -0.11 0.00 0.00 43.42 43.59 1faf n LEU 17 CO 0.36 0.16 -0.15 0.29 -1.51 0.00 0.00 177.39 176.54 1faf n LYS 18 N -0.93 -1.42 -3.80 3.23 4.01 0.39 -4.74 118.16 114.89 1faf n LYS 18 Ca 0.11 0.95 -0.37 0.00 -0.51 0.00 0.00 58.31 58.49 1faf n LYS 18 Cb 0.34 -5.24 -0.12 0.00 -0.51 0.00 0.00 35.03 29.49 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 -3.89 4.44 1.10 -0.35 0.20 -1.10 -5.07 118.68 114.00 1faf s LEU 19 Ca 0.00 -1.42 -0.18 0.00 0.69 0.00 0.00 54.13 53.22 1faf s LEU 19 Cb 0.00 -1.81 0.09 0.00 -0.43 0.00 0.00 46.19 44.04 1faf s LEU 19 CO 0.00 -0.37 0.03 -2.65 -0.29 0.00 0.00 176.35 173.07 1faf n PRO 20 N 4.70 -1.40 0.00 0.98 -0.02 -1.26 -4.66 135.00 133.33 1faf n PRO 20 Ca -0.10 -0.39 0.14 0.00 -2.02 0.00 0.00 63.50 61.13 1faf n PRO 20 Cb 0.43 -1.71 0.55 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.93 0.50 0.09 -0.52 3.00 -1.26 -3.64 116.66 112.89 1faf n ARG 21 Ca 0.01 -0.18 -0.07 0.00 -0.01 0.00 0.00 57.85 57.60 1faf n ARG 21 Cb 0.61 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.56 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 0.44 0.12 -0.42 5.56 -0.00 -2.05 -3.21 115.11 115.55 1faf h GLN 22 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1faf h GLN 22 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1faf h GLN 22 CO 0.00 0.92 0.00 1.47 0.00 0.00 0.00 178.83 181.22 1faf n LEU 23 N -3.60 3.57 -4.53 -2.39 -0.00 -1.25 -4.98 117.00 103.82 1faf n LEU 23 Ca -0.03 -2.30 -0.43 0.00 -0.00 0.00 0.00 56.01 53.25 1faf n LEU 23 Cb 0.82 -0.39 -0.05 0.00 -0.00 0.00 0.00 43.42 43.80 1faf n LEU 23 CO 0.47 0.76 1.92 1.87 -0.00 0.00 0.00 177.39 182.41 1faf n TRP 24 N 0.52 1.57 0.00 1.47 -0.00 -1.22 -2.74 117.44 117.03 1faf n TRP 24 Ca 0.17 0.12 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1faf n TRP 24 Cb 0.63 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 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 6.16 0.71 3.57 5.87 0.00 -1.26 -5.07 105.19 115.17 1faf n GLY 25 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.11 -4.83 116.67 121.32 1faf s ASP 26 Ca 0.00 -1.86 0.15 0.00 0.43 0.00 0.00 52.55 51.27 1faf s ASP 26 Cb 0.00 -2.57 1.09 0.00 -0.30 0.00 0.00 42.92 41.14 1faf s ASP 26 CO 0.00 -1.52 1.66 0.15 -0.17 0.00 0.00 175.17 175.29 1faf h PHE 27 N 8.90 0.91 -0.97 -5.34 3.57 -1.98 0.22 116.94 122.27 1faf h PHE 27 Ca 0.30 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.85 1faf h PHE 27 Cb 0.94 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1faf h PHE 27 CO 1.34 -0.19 0.64 0.78 -2.23 0.00 0.00 178.31 178.64 1faf h GLY 28 N 0.31 1.36 0.14 2.40 0.00 -1.99 -0.22 103.07 105.06 1faf h GLY 28 Ca 0.74 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1faf h GLY 28 CO -0.61 0.50 -0.00 3.21 0.00 0.00 0.00 176.54 179.63 1faf h ARG 29 N 1.31 -0.01 -0.52 4.80 2.47 -1.02 -2.68 114.38 118.73 1faf h ARG 29 Ca 0.35 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.11 1faf h ARG 29 Cb -0.15 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.13 1faf h ARG 29 CO -0.08 0.80 0.28 0.00 0.56 0.00 0.00 179.97 181.54 1faf h MET 30 N -0.87 0.54 -0.75 0.04 -0.00 -1.27 0.23 114.93 112.84 1faf h MET 30 Ca -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 1faf h MET 30 Cb 0.82 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.26 1faf h MET 30 CO 0.00 0.36 0.33 0.37 -0.00 0.00 0.00 176.91 177.97 1faf h GLN 31 N 0.56 1.09 -0.26 -0.10 4.15 -1.16 0.64 115.11 120.04 1faf h GLN 31 Ca 0.23 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1faf h GLN 31 Cb 0.10 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1faf h GLN 31 CO -0.14 0.86 -0.01 1.96 -1.93 0.00 0.00 178.83 179.58 1faf h GLN 32 N 1.08 0.38 0.23 1.69 1.08 -0.95 -1.95 115.11 116.67 1faf h GLN 32 Ca 0.26 -0.07 -0.31 0.00 -1.45 0.00 0.00 58.65 57.08 1faf h GLN 32 Cb 0.16 -0.06 0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1faf h GLN 32 CO -0.03 0.42 -1.36 0.00 -0.95 0.00 0.00 178.83 176.92 1faf h ALA 33 N 1.62 -0.14 -0.80 3.87 0.00 0.13 -2.23 119.26 121.72 1faf h ALA 33 Ca 0.08 -0.84 0.11 0.00 0.00 0.00 0.00 54.91 54.26 1faf h ALA 33 Cb 0.27 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1faf h ALA 33 CO 0.01 0.64 0.43 -0.92 0.00 0.00 0.00 179.25 179.41 1faf h TYR 34 N 0.03 0.77 0.02 0.00 5.03 0.60 0.21 116.97 123.63 1faf h TYR 34 Ca -0.24 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 60.85 1faf h TYR 34 Cb 2.06 -0.23 0.01 0.00 1.55 0.00 0.00 36.73 40.12 1faf h TYR 34 CO 0.14 0.28 -1.03 0.87 -1.32 0.00 0.00 178.16 177.10 1faf h LYS 35 N 0.70 0.52 -0.75 1.82 1.57 -1.45 -0.48 116.57 118.50 1faf h LYS 35 Ca 0.40 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1faf h LYS 35 Cb 0.43 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1faf h LYS 35 CO -0.28 1.22 0.46 1.96 -0.57 0.00 0.00 179.45 182.23 1faf h GLN 36 N 0.28 1.00 0.00 3.15 4.20 -0.64 -1.96 115.11 121.14 1faf h GLN 36 Ca -0.11 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1faf h GLN 36 Cb 1.68 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 1faf h GLN 36 CO 0.19 0.70 -0.81 1.96 -0.67 0.00 0.00 178.83 180.19 1faf h GLN 37 N 1.02 0.00 0.00 1.46 1.08 -0.64 -3.31 115.11 114.72 1faf h GLN 37 Ca 0.27 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1faf h GLN 37 Cb -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1faf h GLN 37 CO -0.05 0.06 -0.24 0.77 -0.95 0.00 0.00 178.83 178.42 1faf h SER 38 N 0.00 0.00 0.59 1.46 0.02 -0.31 -1.16 113.55 114.14 1faf h SER 38 Ca -0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1faf h SER 38 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1faf h SER 38 CO 0.01 0.24 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.15 1faf h LEU 39 N 0.00 0.13 0.00 5.07 3.38 -1.56 -3.10 115.31 119.23 1faf h LEU 39 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1faf h LEU 39 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1faf h LEU 39 CO 0.03 0.81 -0.72 0.17 0.09 0.00 0.00 178.44 178.82 1faf h LEU 40 N 0.07 0.00 -1.46 1.67 8.10 -1.60 -3.30 115.31 118.80 1faf h LEU 40 Ca -0.02 -0.23 0.00 0.00 0.11 0.00 0.00 57.88 57.75 1faf h LEU 40 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1faf h LEU 40 CO 0.10 0.11 0.00 0.18 -4.11 0.00 0.00 178.44 174.73 1faf n LEU 41 N -2.13 2.17 -4.77 0.17 4.77 -0.48 -3.81 117.00 112.93 1faf n LEU 41 Ca 0.03 -0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 54.67 1faf n LEU 41 Cb 0.45 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1faf n LEU 41 CO 0.37 0.47 0.34 -2.28 -1.33 0.00 0.00 177.39 174.96 1faf s HIS 42 N -1.67 3.73 -1.54 -1.77 2.46 -1.18 -4.16 115.29 111.16 1faf s HIS 42 Ca 0.33 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1faf s HIS 42 Cb 0.18 -2.64 0.00 0.00 -0.13 0.00 0.00 32.58 29.99 1faf s HIS 42 CO 0.26 0.38 0.60 -0.35 -2.47 0.00 0.00 174.74 173.16 1faf n PRO 43 N 2.52 0.00 0.04 2.88 -0.04 -1.26 -1.02 135.00 138.12 1faf n PRO 43 Ca -0.06 0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1faf n PRO 43 Cb 0.51 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1faf n PRO 43 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1faf n ASP 44 N -1.10 0.87 -1.82 3.54 -0.08 -1.26 -3.99 116.55 112.71 1faf n ASP 44 Ca 0.00 0.38 -0.17 0.00 -1.51 0.00 0.00 54.79 53.49 1faf n ASP 44 Cb 0.01 0.16 0.18 0.00 2.34 0.00 0.00 41.12 43.81 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1faf n LYS 45 N -2.88 2.15 -2.62 -0.67 4.01 -0.19 -4.89 118.16 113.07 1faf n LYS 45 Ca -0.09 -3.13 -0.17 0.00 -0.51 0.00 0.00 58.31 54.40 1faf n LYS 45 Cb 0.82 -2.05 0.01 0.00 -0.51 0.00 0.00 35.03 33.30 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 -1.12 -0.30 4.00 0.72 0.00 -1.24 -4.94 105.19 102.31 1faf n GLY 46 Ca 0.49 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.53 1.80 0.23 -0.02 0.00 -1.02 -5.02 107.32 100.76 1faf s GLY 47 Ca 0.13 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1faf s GLY 47 CO 0.16 -1.32 0.57 -0.56 0.00 0.00 0.00 173.10 171.96 1faf s SER 48 N -4.58 6.68 -0.01 1.64 0.01 -1.26 -4.39 113.70 111.79 1faf s SER 48 Ca 0.61 1.00 -0.11 0.00 1.31 0.00 0.00 55.95 58.76 1faf s SER 48 Cb -0.07 -2.26 -0.32 0.00 0.21 0.00 0.00 66.02 63.58 1faf s SER 48 CO 0.40 -0.06 0.82 -0.74 0.41 0.00 0.00 173.24 174.07 1faf h HIS 49 N 2.70 0.78 0.00 2.43 2.76 -1.97 -3.22 115.15 118.63 1faf h HIS 49 Ca -0.47 -0.57 -0.05 0.00 -2.20 0.00 0.00 60.37 57.08 1faf h HIS 49 Cb 1.17 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 1faf h HIS 49 CO 0.62 1.59 -0.23 0.00 -1.30 0.00 0.00 177.93 178.61 1faf h ALA 50 N 0.19 1.37 0.04 5.26 0.00 -1.95 -2.90 119.26 121.28 1faf h ALA 50 Ca -0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1faf h ALA 50 Cb 2.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1faf h ALA 50 CO 0.21 0.29 -0.02 -0.07 0.00 0.00 0.00 179.25 179.66 1faf h LEU 51 N 0.00 -0.05 -0.48 0.00 4.07 -1.91 -2.19 115.31 114.75 1faf h LEU 51 Ca -0.00 -0.59 0.09 0.00 0.08 0.00 0.00 57.88 57.45 1faf h LEU 51 Cb 0.49 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.17 1faf h LEU 51 CO 0.03 0.60 0.06 -0.03 -1.08 0.00 0.00 178.44 178.02 1faf h MET 52 N -0.73 0.17 -0.05 1.13 4.05 -1.55 -0.77 114.93 117.19 1faf h MET 52 Ca -0.01 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 1faf h MET 52 Cb 0.63 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1faf h MET 52 CO 0.01 0.12 -0.44 -0.56 0.23 0.00 0.00 176.91 176.27 1faf h GLN 53 N 0.18 0.11 0.07 0.39 -0.00 -1.61 -2.99 115.11 111.26 1faf h GLN 53 Ca 0.24 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1faf h GLN 53 Cb 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1faf h GLN 53 CO -0.35 0.53 -0.03 1.49 -0.00 0.00 0.00 178.83 180.47 1faf h GLU 54 N 0.09 -0.09 -0.86 0.06 4.81 -0.52 -2.52 114.58 115.55 1faf h GLU 54 Ca 0.01 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1faf h GLU 54 Cb 0.81 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.16 1faf h GLU 54 CO 0.06 0.12 0.56 1.25 -0.73 0.00 0.00 179.01 180.27 1faf h LEU 55 N -0.29 0.79 -1.42 1.64 5.85 -1.18 0.05 115.31 120.75 1faf h LEU 55 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1faf h LEU 55 Cb 0.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1faf h LEU 55 CO 0.02 0.48 -0.29 0.78 -0.34 0.00 0.00 178.44 179.08 1faf h ASN 56 N 0.88 0.00 0.49 1.25 2.35 -1.37 0.50 115.58 119.68 1faf h ASN 56 Ca 0.39 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.88 1faf h ASN 56 Cb 0.36 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1faf h ASN 56 CO -0.16 0.29 -1.18 -1.28 -1.65 0.00 0.00 177.43 173.46 1faf h SER 57 N 0.00 0.51 0.75 5.81 0.87 -0.59 -1.57 113.55 119.33 1faf h SER 57 Ca -0.00 -0.50 -0.25 0.00 -1.23 0.00 0.00 61.79 59.80 1faf h SER 57 Cb 0.52 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1faf h SER 57 CO 0.04 1.36 -1.31 -0.07 -0.53 0.00 0.00 176.83 176.32 1faf h LEU 58 N 0.13 0.07 0.00 2.23 3.38 -1.00 -3.27 115.31 116.86 1faf h LEU 58 Ca -0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1faf h LEU 58 Cb 1.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1faf h LEU 58 CO 0.20 1.07 -0.42 -0.25 0.09 0.00 0.00 178.44 179.14 1faf h TRP 59 N 0.01 0.00 0.08 1.13 2.91 -0.10 -3.11 115.95 116.86 1faf h TRP 59 Ca -0.13 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.88 1faf h TRP 59 Cb 1.89 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.54 1faf h TRP 59 CO 0.01 0.00 -0.04 0.78 -1.03 0.00 0.00 178.44 178.16 1faf h GLY 60 N 4.43 -0.11 0.52 2.65 0.00 -1.35 -1.89 103.07 107.31 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 -0.03 0.00 0.00 0.00 0.00 176.54 176.47 1faf h THR 61 N -0.51 0.77 -0.73 4.70 1.03 -1.74 -0.70 112.91 115.74 1faf h THR 61 Ca -0.01 -0.02 0.13 0.00 -0.01 0.00 0.00 66.41 66.50 1faf h THR 61 Cb 0.08 0.71 -0.13 0.00 -1.07 0.00 0.00 68.15 67.74 1faf h THR 61 CO 0.02 0.01 -0.31 0.15 -0.01 0.00 0.00 175.52 175.37 1faf h PHE 62 N 0.05 -0.84 -0.88 0.00 3.57 -1.69 0.48 116.94 117.63 1faf h PHE 62 Ca 0.13 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.84 1faf h PHE 62 Cb 0.19 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.32 1faf h PHE 62 CO -0.24 -0.38 0.50 -0.22 -2.23 0.00 0.00 178.31 175.75 1faf h LYS 63 N -0.09 0.75 -1.05 1.11 3.64 -0.31 0.21 116.57 120.83 1faf h LYS 63 Ca 0.29 -0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.90 1faf h LYS 63 Cb 0.57 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1faf h LYS 63 CO -0.78 0.50 0.67 1.15 -2.27 0.00 0.00 179.45 178.71 1faf h THR 64 N 0.77 0.49 0.02 1.00 2.02 0.10 0.92 112.91 118.24 1faf h THR 64 Ca 0.46 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 67.23 1faf h THR 64 Cb 0.53 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1faf h THR 64 CO -0.30 0.07 -1.43 -0.33 0.37 0.00 0.00 175.52 173.90 1faf h GLU 65 N 0.40 0.05 0.55 6.66 4.39 -0.62 -3.36 114.58 122.65 1faf h GLU 65 Ca 0.62 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 1faf h GLU 65 Cb 1.53 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1faf h GLU 65 CO -0.35 0.80 -0.41 0.28 -1.16 0.00 0.00 179.01 178.17 1faf h VAL 66 N 0.01 0.17 -1.04 3.13 2.07 0.36 1.25 116.25 122.20 1faf h VAL 66 Ca -0.18 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.62 1faf h VAL 66 Cb 1.93 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 1faf h VAL 66 CO 0.11 0.00 0.70 0.22 0.02 0.00 0.00 177.57 178.63 1faf h TYR 67 N -0.93 0.40 0.00 1.57 3.20 -1.03 0.37 116.97 120.54 1faf h TYR 67 Ca -0.06 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1faf h TYR 67 Cb 0.79 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1faf h TYR 67 CO -0.16 0.04 -1.14 0.09 -1.64 0.00 0.00 178.16 175.36 1faf n ASN 68 N -4.46 0.80 0.04 -2.11 3.02 -0.81 -4.06 115.26 107.69 1faf n ASN 68 Ca 0.24 0.32 0.08 0.00 -0.03 0.00 0.00 54.58 55.19 1faf n ASN 68 Cb 0.96 0.48 0.52 0.00 -0.61 0.00 0.00 39.78 41.13 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 0.29 0.00 3.41 8.10 0.59 0.66 115.31 128.36 1faf h LEU 69 Ca -0.03 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1faf h LEU 69 Cb 1.12 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 1faf h LEU 69 CO 0.01 0.20 0.00 0.54 -4.11 0.00 0.00 178.44 175.08 1faf n ARG 70 N -4.48 0.92 0.00 0.17 1.74 -1.16 -3.82 116.66 110.02 1faf n ARG 70 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1faf n ARG 70 Cb 0.19 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.00 -1.92 5.56 2.81 0.49 -5.05 117.12 118.06 1faf n MET 71 Ca 0.20 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.72 1faf n MET 71 Cb 0.09 -0.49 0.04 0.00 -0.71 0.00 0.00 33.22 32.15 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 -5.00 5.17 -0.00 7.83 0.01 0.20 -4.99 114.94 118.16 1faf s ASN 72 Ca 0.00 2.53 -0.02 0.00 -0.71 0.00 0.00 52.86 54.66 1faf s ASN 72 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1faf s ASN 72 CO 0.00 -1.62 -0.04 0.18 -1.51 0.00 0.00 177.10 174.11 1faf n LEU 73 N -1.42 0.41 0.00 0.60 4.32 -1.26 -4.84 117.00 114.80 1faf n LEU 73 Ca 0.13 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1faf n LEU 73 Cb 0.48 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1faf n LEU 73 CO 0.47 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.73 1faf n GLY 74 N 2.72 -0.41 0.00 -0.72 0.00 -1.26 -5.06 105.19 100.46 1faf n GLY 74 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.40 0.48 3.76 -0.02 0.00 -1.26 -5.14 105.19 102.62 1faf n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 2.25 0.00 2.61 -4.23 -1.26 -4.68 115.64 110.33 1faf s THR 76 Ca 0.00 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1faf s THR 76 Cb 0.00 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1faf s THR 76 CO 0.00 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1faf n GLY 77 N 0.64 -0.00 3.74 3.99 0.00 -1.26 -5.13 105.19 107.17 1faf n GLY 77 Ca 0.07 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 3.90 -2.30 1.61 0.40 -1.26 -5.38 117.98 114.95 1faf s PHE 78 Ca 0.00 1.86 0.30 0.00 -0.60 0.00 0.00 56.93 58.49 1faf s PHE 78 Cb 0.00 -3.03 1.40 0.00 0.51 0.00 0.00 43.02 41.90 1faf s PHE 78 CO 0.00 0.30 1.94 0.94 0.70 0.00 0.00 175.22 179.10