#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 7.18 -1.01 6.12 1.01 -1.26 -4.98 116.67 123.73 1faf s ASP 2 Ca 0.00 1.89 -0.14 0.00 0.71 0.00 0.00 52.55 55.00 1faf s ASP 2 Cb 0.00 -2.57 0.19 0.00 1.01 0.00 0.00 42.92 41.55 1faf s ASP 2 CO 0.00 -0.41 1.11 -0.13 0.21 0.00 0.00 175.17 175.96 1faf s ARG 3 N 1.10 3.85 -0.04 8.23 3.00 -1.26 -4.97 118.95 128.86 1faf s ARG 3 Ca 0.56 -2.44 -0.00 0.00 0.00 0.00 0.00 55.73 53.84 1faf s ARG 3 Cb -0.26 -4.76 0.03 0.00 0.00 0.00 0.00 34.95 29.95 1faf s ARG 3 CO 0.28 -1.54 0.01 0.14 0.00 0.00 0.00 175.30 174.19 1faf s VAL 4 N 0.97 0.21 0.24 3.52 -7.23 -1.26 -4.84 120.40 112.00 1faf s VAL 4 Ca 0.31 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.44 1faf s VAL 4 Cb -0.07 -0.35 -0.08 0.00 0.56 0.00 0.00 36.38 36.44 1faf s VAL 4 CO -0.07 0.19 0.72 -1.48 -0.31 0.00 0.00 175.10 174.15 1faf s LEU 5 N 1.49 4.28 0.00 1.32 2.34 -1.26 -5.09 118.68 121.77 1faf s LEU 5 Ca -0.03 1.37 -0.02 0.00 0.06 0.00 0.00 54.13 55.51 1faf s LEU 5 Cb -0.13 -3.67 0.08 0.00 -0.56 0.00 0.00 46.19 41.91 1faf s LEU 5 CO -0.03 -0.01 0.51 -1.54 -1.06 0.00 0.00 176.35 174.22 1faf n SER 6 N 0.50 0.53 -0.25 1.48 3.41 -1.26 -4.79 113.62 113.23 1faf n SER 6 Ca -0.01 -1.48 0.09 0.00 -0.26 0.00 0.00 58.87 57.20 1faf n SER 6 Cb 0.52 -0.34 0.34 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.76 -0.70 4.33 2.47 -1.99 -0.96 114.38 118.29 1faf h ARG 7 Ca -0.17 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.45 1faf h ARG 7 Cb 0.58 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.70 1faf h ARG 7 CO 0.16 0.50 0.20 0.00 0.56 0.00 0.00 179.97 181.40 1faf h ALA 8 N 1.58 1.04 0.36 0.04 0.00 -1.98 -0.95 119.26 119.35 1faf h ALA 8 Ca 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1faf h ALA 8 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1faf h ALA 8 CO -0.17 0.64 -0.17 -0.44 0.00 0.00 0.00 179.25 179.11 1faf h ASP 9 N 1.04 -0.41 -1.01 0.00 5.19 -1.56 0.27 116.42 119.94 1faf h ASP 9 Ca 0.23 -0.13 0.12 0.00 -0.62 0.00 0.00 57.03 56.63 1faf h ASP 9 Cb 0.32 0.11 -0.09 0.00 0.18 0.00 0.00 39.33 39.85 1faf h ASP 9 CO -0.00 0.03 0.63 0.07 -3.12 0.00 0.00 179.24 176.84 1faf h LYS 10 N -0.99 0.96 -0.15 3.56 5.09 -1.32 0.68 116.57 124.41 1faf h LYS 10 Ca -0.05 -0.06 -0.14 0.00 0.09 0.00 0.00 60.65 60.49 1faf h LYS 10 Cb 0.52 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 1faf h LYS 10 CO 0.08 0.63 -0.52 1.49 -2.09 0.00 0.00 179.45 179.05 1faf h GLU 11 N 0.99 0.41 -0.35 0.07 4.57 -1.20 -2.54 114.58 116.54 1faf h GLU 11 Ca 0.50 -0.25 -0.16 0.00 -1.18 0.00 0.00 59.36 58.28 1faf h GLU 11 Cb 0.51 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1faf h GLU 11 CO -0.27 0.83 -0.40 -0.09 -1.18 0.00 0.00 179.01 177.90 1faf h ARG 12 N 0.32 0.88 -0.14 1.92 2.43 0.13 -2.71 114.38 117.22 1faf h ARG 12 Ca 0.01 -0.49 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1faf h ARG 12 Cb 1.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1faf h ARG 12 CO 0.09 1.13 0.08 1.25 -1.51 0.00 0.00 179.97 181.01 1faf h LEU 13 N 0.68 0.16 -0.56 3.80 5.85 0.36 -1.35 115.31 124.26 1faf h LEU 13 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 1faf h LEU 13 Cb 1.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1faf h LEU 13 CO 0.10 0.13 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.88 1faf h LEU 14 N 0.19 0.78 -0.49 2.25 3.38 -1.15 -2.07 115.31 118.19 1faf h LEU 14 Ca 0.05 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1faf h LEU 14 Cb 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1faf h LEU 14 CO -0.01 1.07 0.22 -0.08 0.09 0.00 0.00 178.44 179.73 1faf h GLU 15 N 0.61 0.41 0.00 1.13 4.81 -0.97 0.13 114.58 120.70 1faf h GLU 15 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1faf h GLU 15 Cb 0.92 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1faf h GLU 15 CO 0.08 0.27 0.00 -0.07 -0.73 0.00 0.00 179.01 178.56 1faf h LEU 16 N 0.42 0.00 0.00 1.64 3.38 -1.48 -3.05 115.31 116.22 1faf h LEU 16 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1faf h LEU 16 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1faf h LEU 16 CO -0.19 0.00 -0.51 0.18 0.09 0.00 0.00 178.44 178.01 1faf n LEU 17 N -2.31 0.51 -1.40 1.67 7.99 -0.16 -4.79 117.00 118.50 1faf n LEU 17 Ca 0.05 -0.01 -0.15 0.00 -0.01 0.00 0.00 56.01 55.89 1faf n LEU 17 Cb 0.39 -0.25 -0.07 0.00 -0.11 0.00 0.00 43.42 43.39 1faf n LEU 17 CO 0.28 0.13 -0.15 0.29 -1.51 0.00 0.00 177.39 176.43 1faf n LYS 18 N -1.50 -1.38 -3.85 3.23 4.01 -0.15 -4.60 118.16 113.92 1faf n LYS 18 Ca 0.05 0.93 -0.36 0.00 -0.51 0.00 0.00 58.31 58.42 1faf n LYS 18 Cb 0.34 -5.22 -0.13 0.00 -0.51 0.00 0.00 35.03 29.51 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 -3.95 3.99 1.08 -0.35 0.20 -1.15 -5.08 118.68 113.41 1faf s LEU 19 Ca 0.00 -1.17 -0.21 0.00 0.69 0.00 0.00 54.13 53.44 1faf s LEU 19 Cb 0.00 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 44.00 1faf s LEU 19 CO 0.00 -0.27 -0.47 -2.65 -0.29 0.00 0.00 176.35 172.67 1faf n PRO 20 N 4.70 -1.04 0.00 0.98 -0.02 -1.26 -4.72 135.00 133.64 1faf n PRO 20 Ca -0.13 -0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.18 1faf n PRO 20 Cb 0.44 -1.48 0.36 0.00 -0.02 0.00 0.00 33.50 32.80 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 0.75 0.05 -0.52 1.85 -1.26 -3.85 116.66 113.09 1faf n ARG 21 Ca -0.00 -0.44 -0.11 0.00 -1.00 0.00 0.00 57.85 56.30 1faf n ARG 21 Cb 0.66 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.58 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 1.08 0.44 -0.68 2.89 4.15 -2.05 -3.11 115.11 117.83 1faf h GLN 22 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1faf h GLN 22 Cb 0.51 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1faf h GLN 22 CO 0.00 1.02 0.00 1.47 -1.93 0.00 0.00 178.83 179.39 1faf n LEU 23 N -3.83 4.11 -4.53 -2.39 -0.00 -1.26 -4.94 117.00 104.15 1faf n LEU 23 Ca -0.05 -2.13 -0.34 0.00 -0.00 0.00 0.00 56.01 53.49 1faf n LEU 23 Cb 0.73 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.58 1faf n LEU 23 CO 0.49 0.92 2.00 1.87 -0.00 0.00 0.00 177.39 182.67 1faf n TRP 24 N 1.40 1.08 0.00 1.47 -0.00 -1.18 -2.43 117.44 117.79 1faf n TRP 24 Ca 0.24 0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 1faf n TRP 24 Cb 0.68 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.55 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 6.21 0.44 3.55 5.87 0.00 -1.26 -5.09 105.19 114.92 1faf n GLY 25 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 6.45 0.24 1.61 2.15 -1.02 -4.87 116.67 121.24 1faf s ASP 26 Ca 0.00 -1.32 -0.07 0.00 0.43 0.00 0.00 52.55 51.60 1faf s ASP 26 Cb 0.00 -2.56 0.44 0.00 -0.30 0.00 0.00 42.92 40.50 1faf s ASP 26 CO 0.00 -1.54 1.65 0.15 -0.17 0.00 0.00 175.17 175.25 1faf h PHE 27 N 9.80 0.02 -0.66 -5.34 3.57 -1.98 0.87 116.94 123.22 1faf h PHE 27 Ca 0.12 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1faf h PHE 27 Cb 1.02 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1faf h PHE 27 CO 1.25 -0.21 0.44 0.78 -2.23 0.00 0.00 178.31 178.34 1faf h GLY 28 N 0.13 0.86 0.58 2.40 0.00 -1.99 -0.30 103.07 104.75 1faf h GLY 28 Ca 0.41 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 1faf h GLY 28 CO -0.63 0.22 -0.60 3.21 0.00 0.00 0.00 176.54 178.74 1faf h ARG 29 N 0.70 0.26 -0.66 4.80 3.08 -1.31 -2.92 114.38 118.34 1faf h ARG 29 Ca 0.28 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1faf h ARG 29 Cb 0.22 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1faf h ARG 29 CO -0.09 1.16 0.37 0.00 -1.07 0.00 0.00 179.97 180.34 1faf h MET 30 N -0.44 0.91 -0.74 0.04 -0.00 -0.92 -2.22 114.93 111.56 1faf h MET 30 Ca -0.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 59.70 59.45 1faf h MET 30 Cb 1.43 -0.18 -0.03 0.00 -0.00 0.00 0.00 31.60 32.82 1faf h MET 30 CO 0.11 0.68 0.27 0.37 -0.00 0.00 0.00 176.91 178.34 1faf h GLN 31 N 0.89 1.12 -0.40 -0.10 4.15 -1.17 0.29 115.11 119.90 1faf h GLN 31 Ca 0.23 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1faf h GLN 31 Cb 0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1faf h GLN 31 CO -0.04 0.92 0.26 0.37 -1.93 0.00 0.00 178.83 178.42 1faf h GLN 32 N 1.09 0.51 0.17 1.69 4.15 -1.24 -1.14 115.11 120.34 1faf h GLN 32 Ca 0.25 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.39 1faf h GLN 32 Cb 0.24 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 27.84 1faf h GLN 32 CO -0.02 0.34 -1.12 0.00 -1.93 0.00 0.00 178.83 176.10 1faf h ALA 33 N 1.75 -0.05 -0.94 3.38 0.00 -0.78 -2.85 119.26 119.77 1faf h ALA 33 Ca 0.15 -0.82 0.12 0.00 0.00 0.00 0.00 54.91 54.35 1faf h ALA 33 Cb -0.05 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1faf h ALA 33 CO -0.03 0.56 0.56 -0.92 0.00 0.00 0.00 179.25 179.42 1faf h TYR 34 N -0.22 1.02 -0.12 0.00 5.03 -0.01 0.25 116.97 122.92 1faf h TYR 34 Ca -0.21 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 60.91 1faf h TYR 34 Cb 1.81 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 39.78 1faf h TYR 34 CO 0.16 0.38 -0.80 0.87 -1.32 0.00 0.00 178.16 177.45 1faf h LYS 35 N 0.88 0.71 -0.78 1.82 1.57 -1.33 0.41 116.57 119.85 1faf h LYS 35 Ca 0.47 -0.60 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1faf h LYS 35 Cb 0.50 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1faf h LYS 35 CO -0.28 1.21 0.52 1.96 -0.57 0.00 0.00 179.45 182.29 1faf h GLN 36 N 0.48 0.98 0.00 3.15 4.20 -0.99 -0.83 115.11 122.09 1faf h GLN 36 Ca -0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1faf h GLN 36 Cb 1.42 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1faf h GLN 36 CO 0.16 0.65 -0.71 1.96 -0.67 0.00 0.00 178.83 180.22 1faf h GLN 37 N 1.01 0.00 -0.17 1.46 1.08 -0.95 -3.32 115.11 114.21 1faf h GLN 37 Ca 0.30 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.29 1faf h GLN 37 Cb -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1faf h GLN 37 CO -0.08 0.00 -0.73 0.77 -0.95 0.00 0.00 178.83 177.85 1faf h SER 38 N 0.00 0.89 0.53 1.46 0.02 0.16 -2.01 113.55 114.60 1faf h SER 38 Ca 0.00 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.33 1faf h SER 38 Cb 0.98 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1faf h SER 38 CO 0.00 1.35 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.68 1faf h LEU 39 N 0.53 0.00 0.00 5.07 4.07 -1.31 -2.54 115.31 121.13 1faf h LEU 39 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1faf h LEU 39 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1faf h LEU 39 CO 0.15 0.29 -0.81 0.00 -1.08 0.00 0.00 178.44 176.99 1faf n LEU 40 N -3.77 0.71 -0.93 1.67 -0.00 -1.18 -3.74 117.00 109.75 1faf n LEU 40 Ca -0.01 0.19 0.11 0.00 -0.00 0.00 0.00 56.01 56.30 1faf n LEU 40 Cb 0.38 -0.14 0.27 0.00 -0.00 0.00 0.00 43.42 43.94 1faf n LEU 40 CO 0.35 -0.06 0.73 0.18 -0.00 0.00 0.00 177.39 178.59 1faf n LEU 41 N -2.20 2.75 -4.79 1.47 4.77 -0.76 -3.41 117.00 114.85 1faf n LEU 41 Ca 0.02 -1.21 -0.39 0.00 -0.03 0.00 0.00 56.01 54.40 1faf n LEU 41 Cb 0.46 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1faf n LEU 41 CO 0.38 0.61 0.41 -2.28 -1.33 0.00 0.00 177.39 175.17 1faf s HIS 42 N -1.56 3.86 0.32 -1.77 2.46 -1.05 -3.05 115.29 114.50 1faf s HIS 42 Ca 0.36 1.50 0.10 0.00 0.47 0.00 0.00 55.06 57.48 1faf s HIS 42 Cb 0.20 -2.68 0.94 0.00 -0.13 0.00 0.00 32.58 30.91 1faf s HIS 42 CO 0.29 0.52 1.66 -1.35 -2.47 0.00 0.00 174.74 173.39 1faf h PRO 43 N 4.51 0.30 0.00 2.88 0.11 -1.83 0.96 132.00 138.94 1faf h PRO 43 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1faf h PRO 43 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1faf h PRO 43 CO 0.66 0.20 0.00 -3.47 -0.21 0.00 0.00 178.00 175.18 1faf n ASP 44 N -5.09 0.13 -0.88 -2.05 -0.08 -1.26 -2.41 116.55 104.91 1faf n ASP 44 Ca 0.28 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 1faf n ASP 44 Cb 0.86 -0.56 0.19 0.00 2.34 0.00 0.00 41.12 43.94 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 -1.65 1.85 -1.57 -0.67 4.01 0.32 -4.93 118.16 115.52 1faf n LYS 45 Ca 0.03 -3.37 -0.15 0.00 -0.51 0.00 0.00 58.31 54.31 1faf n LYS 45 Cb 0.16 -1.73 -0.05 0.00 -0.51 0.00 0.00 35.03 32.90 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 -1.08 1.23 3.98 0.72 0.00 -1.01 -4.72 105.19 104.30 1faf n GLY 46 Ca 0.25 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.76 1.68 0.30 -0.02 0.00 -0.33 -4.95 107.32 101.24 1faf s GLY 47 Ca 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 1faf s GLY 47 CO 0.00 -1.18 0.60 -0.56 0.00 0.00 0.00 173.10 171.96 1faf s SER 48 N -4.26 6.53 -0.13 1.64 0.01 -1.17 -3.68 113.70 112.64 1faf s SER 48 Ca 0.50 0.89 -0.28 0.00 1.31 0.00 0.00 55.95 58.37 1faf s SER 48 Cb -0.10 -2.22 -0.27 0.00 0.21 0.00 0.00 66.02 63.65 1faf s SER 48 CO 0.35 -0.20 0.77 -0.74 0.41 0.00 0.00 173.24 173.83 1faf h HIS 49 N 1.89 0.07 -0.09 2.43 2.76 -1.97 -3.17 115.15 117.07 1faf h HIS 49 Ca -0.47 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 57.67 1faf h HIS 49 Cb 1.18 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 1faf h HIS 49 CO 0.60 1.06 0.08 0.00 -1.30 0.00 0.00 177.93 178.37 1faf h ALA 50 N -0.00 1.80 0.06 5.26 0.00 -1.95 -2.45 119.26 121.98 1faf h ALA 50 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1faf h ALA 50 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1faf h ALA 50 CO 0.01 -0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.03 1faf h LEU 51 N 0.00 -0.07 -1.59 0.00 3.38 -1.92 -1.63 115.31 113.47 1faf h LEU 51 Ca 0.04 -0.48 0.22 0.00 0.09 0.00 0.00 57.88 57.75 1faf h LEU 51 Cb 0.21 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1faf h LEU 51 CO -0.00 0.48 0.61 -0.03 0.09 0.00 0.00 178.44 179.59 1faf h MET 52 N -0.64 0.31 0.02 1.13 4.05 -1.41 0.34 114.93 118.73 1faf h MET 52 Ca -0.01 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.17 1faf h MET 52 Cb 0.55 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 1faf h MET 52 CO 0.01 0.21 -1.07 1.96 0.23 0.00 0.00 176.91 178.25 1faf h GLN 53 N 0.32 0.04 0.29 0.39 1.08 -1.49 -2.85 115.11 112.89 1faf h GLN 53 Ca 0.47 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 1faf h GLN 53 Cb 1.31 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1faf h GLN 53 CO -0.15 1.02 -0.14 1.49 -0.95 0.00 0.00 178.83 180.10 1faf h GLU 54 N 0.01 -0.37 -0.69 1.46 4.57 0.60 -1.01 114.58 119.15 1faf h GLU 54 Ca -0.04 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1faf h GLU 54 Cb 1.81 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.45 1faf h GLU 54 CO 0.14 -0.05 0.39 1.25 -1.18 0.00 0.00 179.01 179.56 1faf h LEU 55 N -0.72 0.86 -1.28 1.64 5.85 -1.21 -2.09 115.31 118.36 1faf h LEU 55 Ca -0.04 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1faf h LEU 55 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1faf h LEU 55 CO 0.06 0.70 0.18 -1.13 -0.34 0.00 0.00 178.44 177.92 1faf h ASN 56 N 0.95 0.61 -0.76 1.25 -0.73 -1.51 0.16 115.58 115.55 1faf h ASN 56 Ca 0.25 -0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.30 1faf h ASN 56 Cb 0.02 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 38.42 1faf h ASN 56 CO -0.04 0.56 0.30 0.28 -0.37 0.00 0.00 177.43 178.16 1faf h SER 57 N 0.67 1.05 0.96 1.15 0.02 -0.51 0.43 113.55 117.32 1faf h SER 57 Ca 0.16 -0.18 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1faf h SER 57 Cb 0.14 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1faf h SER 57 CO -0.02 0.94 -0.82 -0.07 -1.14 0.00 0.00 176.83 175.73 1faf h LEU 58 N 1.10 0.00 0.00 5.07 3.38 -0.93 -2.79 115.31 121.14 1faf h LEU 58 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1faf h LEU 58 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1faf h LEU 58 CO -0.02 0.82 -0.16 1.87 0.09 0.00 0.00 178.44 181.04 1faf n TRP 59 N -3.45 0.03 -0.07 1.13 -0.00 0.50 -2.15 117.44 113.43 1faf n TRP 59 Ca -0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 57.50 57.44 1faf n TRP 59 Cb 0.82 -0.44 -0.04 0.00 -0.00 0.00 0.00 31.31 31.65 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 4.98 0.00 0.86 5.87 0.00 0.01 -2.57 103.07 112.22 1faf h GLY 60 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1faf h GLY 60 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 1faf h THR 61 N -1.00 0.87 -0.74 4.70 1.03 -1.62 0.02 112.91 116.17 1faf h THR 61 Ca -0.05 0.00 0.16 0.00 -0.01 0.00 0.00 66.41 66.51 1faf h THR 61 Cb 0.52 0.87 -0.13 0.00 -1.07 0.00 0.00 68.15 68.34 1faf h THR 61 CO -0.03 0.00 -0.05 0.15 -0.01 0.00 0.00 175.52 175.58 1faf h PHE 62 N -0.08 -0.15 -0.69 0.00 3.57 -1.61 0.59 116.94 118.57 1faf h PHE 62 Ca 0.03 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1faf h PHE 62 Cb 0.11 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1faf h PHE 62 CO -0.13 -0.26 0.44 -0.22 -2.23 0.00 0.00 178.31 175.91 1faf h LYS 63 N 0.07 0.91 -1.06 1.11 3.64 -0.81 -1.34 116.57 119.09 1faf h LYS 63 Ca 0.39 -0.06 0.29 0.00 -1.27 0.00 0.00 60.65 60.00 1faf h LYS 63 Cb 0.66 -0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.16 1faf h LYS 63 CO -0.68 0.61 0.66 1.15 -2.27 0.00 0.00 179.45 178.92 1faf h THR 64 N 0.93 0.43 0.03 1.00 2.02 0.20 1.06 112.91 118.60 1faf h THR 64 Ca 0.25 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 67.02 1faf h THR 64 Cb -0.08 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.30 1faf h THR 64 CO -0.05 0.07 -1.45 -0.33 0.37 0.00 0.00 175.52 174.13 1faf h GLU 65 N 0.39 0.07 -0.97 6.66 4.39 -1.27 -3.33 114.58 120.52 1faf h GLU 65 Ca 0.66 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 60.33 1faf h GLU 65 Cb 1.61 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.23 1faf h GLU 65 CO -0.42 0.83 0.61 0.28 -1.16 0.00 0.00 179.01 179.16 1faf h VAL 66 N 0.02 1.01 -0.12 3.13 2.07 0.21 0.68 116.25 123.25 1faf h VAL 66 Ca -0.19 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1faf h VAL 66 Cb 1.94 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1faf h VAL 66 CO 0.12 0.19 -0.04 0.22 0.02 0.00 0.00 177.57 178.08 1faf h TYR 67 N 1.06 0.18 0.00 1.57 3.20 -0.77 -2.37 116.97 119.83 1faf h TYR 67 Ca 0.44 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.20 1faf h TYR 67 Cb 0.29 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1faf h TYR 67 CO -0.01 0.23 -1.32 0.09 -1.64 0.00 0.00 178.16 175.50 1faf n ASN 68 N -4.39 0.80 -0.30 -2.11 3.02 0.04 -4.14 115.26 108.19 1faf n ASN 68 Ca -0.01 0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.92 1faf n ASN 68 Cb 0.18 0.36 0.25 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.89 0.00 3.41 8.10 0.82 0.24 115.31 128.77 1faf h LEU 69 Ca -0.11 0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1faf h LEU 69 Cb 1.38 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.41 1faf h LEU 69 CO 0.03 0.57 0.00 0.54 -4.11 0.00 0.00 178.44 175.46 1faf n ARG 70 N -4.49 0.77 -0.02 0.17 1.74 -1.21 -3.00 116.66 110.62 1faf n ARG 70 Ca 0.14 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.20 1faf n ARG 70 Cb 0.21 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.96 3.21 -1.85 5.56 2.81 0.40 -5.03 117.12 121.25 1faf n MET 71 Ca 0.17 -0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.66 1faf n MET 71 Cb 0.08 -1.11 0.01 0.00 -0.71 0.00 0.00 33.22 31.49 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 -3.55 5.91 0.18 7.83 0.02 0.56 -4.92 114.94 120.97 1faf s ASN 72 Ca -0.02 2.85 0.00 0.00 -1.02 0.00 0.00 52.86 54.67 1faf s ASN 72 Cb 0.01 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1faf s ASN 72 CO 0.17 -1.14 0.00 -0.11 0.02 0.00 0.00 177.10 176.04 1faf n LEU 73 N -0.21 0.04 -3.15 0.60 0.00 -1.26 -4.99 117.00 108.03 1faf n LEU 73 Ca 0.05 0.31 -0.21 0.00 0.00 0.00 0.00 56.01 56.16 1faf n LEU 73 Cb 0.42 0.20 0.06 0.00 0.00 0.00 0.00 43.42 44.11 1faf n LEU 73 CO 0.58 -0.68 0.16 0.61 0.00 0.00 0.00 177.39 178.06 1faf n GLY 74 N 1.85 -0.41 2.65 -3.96 0.00 -1.26 -4.93 105.19 99.14 1faf n GLY 74 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.76 1.41 3.72 -0.02 0.00 -1.26 -5.12 105.19 102.16 1faf n GLY 75 Ca -0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.66 4.28 -0.21 2.61 -4.23 -1.26 -4.92 115.64 111.24 1faf s THR 76 Ca 0.25 1.75 0.02 0.00 -1.18 0.00 0.00 61.69 62.53 1faf s THR 76 Cb 0.38 -4.12 0.20 0.00 1.34 0.00 0.00 72.50 70.29 1faf s THR 76 CO -0.05 0.20 1.21 0.61 -0.54 0.00 0.00 174.62 176.05 1faf n GLY 77 N 2.67 2.62 3.76 3.99 0.00 -1.26 -4.92 105.19 112.06 1faf n GLY 77 Ca 0.05 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.02 3.40 -2.37 1.61 2.19 -1.26 -5.36 117.98 115.18 1faf s PHE 78 Ca 0.16 1.64 0.29 0.00 0.33 0.00 0.00 56.93 59.35 1faf s PHE 78 Cb 0.14 -3.33 1.28 0.00 -1.31 0.00 0.00 43.02 39.80 1faf s PHE 78 CO 0.03 -0.83 1.87 1.04 1.83 0.00 0.00 175.22 179.17