#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 6.74 -0.63 6.12 2.15 -1.26 -4.98 116.67 124.81 1faf s ASP 2 Ca 0.00 2.61 -0.11 0.00 0.43 0.00 0.00 52.55 55.48 1faf s ASP 2 Cb 0.00 -2.63 0.16 0.00 -0.30 0.00 0.00 42.92 40.15 1faf s ASP 2 CO 0.00 -0.62 0.53 -0.13 -0.17 0.00 0.00 175.17 174.79 1faf s ARG 3 N -0.69 2.97 0.06 4.34 0.52 -1.26 -5.05 118.95 119.83 1faf s ARG 3 Ca 0.56 -2.12 -0.31 0.00 -0.52 0.00 0.00 55.73 53.35 1faf s ARG 3 Cb -0.40 -4.14 -0.07 0.00 0.52 0.00 0.00 34.95 30.87 1faf s ARG 3 CO 0.45 -1.25 1.40 0.14 0.02 0.00 0.00 175.30 176.05 1faf s VAL 4 N 0.77 3.52 0.06 3.52 -7.23 -1.26 -4.70 120.40 115.08 1faf s VAL 4 Ca 0.11 1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 61.12 1faf s VAL 4 Cb -0.21 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.02 1faf s VAL 4 CO -0.03 0.04 0.53 -1.48 -0.31 0.00 0.00 175.10 173.85 1faf s LEU 5 N 1.77 4.50 0.00 1.32 0.05 -1.26 -5.09 118.68 119.97 1faf s LEU 5 Ca 0.64 1.18 -0.01 0.00 0.05 0.00 0.00 54.13 55.99 1faf s LEU 5 Cb -0.34 -2.86 0.05 0.00 -2.05 0.00 0.00 46.19 40.98 1faf s LEU 5 CO 0.29 0.27 0.33 -1.54 -0.55 0.00 0.00 176.35 175.15 1faf n SER 6 N 1.65 0.35 0.00 1.48 3.41 -1.26 -4.65 113.62 114.59 1faf n SER 6 Ca -0.11 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.29 1faf n SER 6 Cb 0.51 -0.22 0.52 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.34 -0.00 4.33 2.43 -1.98 0.18 114.38 119.67 1faf h ARG 7 Ca -0.11 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.79 1faf h ARG 7 Cb 0.38 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1faf h ARG 7 CO 0.11 0.23 -0.99 0.00 -1.51 0.00 0.00 179.97 177.80 1faf h ALA 8 N 1.76 0.24 0.03 2.80 0.00 -1.99 -2.64 119.26 119.47 1faf h ALA 8 Ca 0.19 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1faf h ALA 8 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1faf h ALA 8 CO -0.05 0.75 -0.02 -0.44 0.00 0.00 0.00 179.25 179.49 1faf h ASP 9 N 0.32 -0.04 -0.36 0.00 5.19 -1.72 -2.86 116.42 116.96 1faf h ASP 9 Ca -0.11 -0.67 0.05 0.00 -0.62 0.00 0.00 57.03 55.68 1faf h ASP 9 Cb 1.64 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.14 1faf h ASP 9 CO 0.19 0.71 0.24 0.07 -3.12 0.00 0.00 179.24 177.33 1faf h LYS 10 N -0.86 0.28 -0.37 3.56 5.09 -0.82 0.72 116.57 124.18 1faf h LYS 10 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 60.65 60.63 1faf h LYS 10 Cb 0.70 -0.06 -0.02 0.00 0.10 0.00 0.00 32.23 32.95 1faf h LYS 10 CO 0.01 0.19 -0.15 0.93 -2.09 0.00 0.00 179.45 178.33 1faf h GLU 11 N 0.29 0.67 -0.45 0.07 4.39 -1.52 -2.48 114.58 115.55 1faf h GLU 11 Ca 0.15 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1faf h GLU 11 Cb 0.24 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1faf h GLU 11 CO -0.03 0.79 -0.08 -0.09 -1.16 0.00 0.00 179.01 178.44 1faf h ARG 12 N 0.60 0.79 -0.10 2.33 9.65 -0.64 -2.10 114.38 124.90 1faf h ARG 12 Ca 0.10 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1faf h ARG 12 Cb 0.60 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1faf h ARG 12 CO 0.04 0.85 0.03 1.25 2.80 0.00 0.00 179.97 184.93 1faf h LEU 13 N 0.72 0.12 -0.50 3.80 5.85 -0.89 -1.54 115.31 122.87 1faf h LEU 13 Ca 0.13 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1faf h LEU 13 Cb 0.56 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1faf h LEU 13 CO 0.03 0.13 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.72 1faf h LEU 14 N 0.14 0.75 -0.30 2.25 3.38 -1.11 -2.62 115.31 117.81 1faf h LEU 14 Ca 0.04 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1faf h LEU 14 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1faf h LEU 14 CO -0.00 1.11 0.00 -0.33 0.09 0.00 0.00 178.44 179.31 1faf h GLU 15 N 0.55 0.09 0.00 1.13 5.08 -1.03 0.91 114.58 121.31 1faf h GLU 15 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1faf h GLU 15 Cb 1.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1faf h GLU 15 CO 0.10 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 1faf n LEU 16 N -5.16 0.67 0.01 1.33 4.32 -1.16 -2.44 117.00 114.57 1faf n LEU 16 Ca 0.00 0.64 0.12 0.00 -0.02 0.00 0.00 56.01 56.75 1faf n LEU 16 Cb 0.16 -0.51 0.23 0.00 -1.62 0.00 0.00 43.42 41.67 1faf n LEU 16 CO 0.23 -0.45 0.42 0.18 -1.22 0.00 0.00 177.39 176.55 1faf n LEU 17 N -2.21 0.53 -1.32 2.23 7.99 0.17 -4.78 117.00 119.61 1faf n LEU 17 Ca 0.03 0.02 -0.14 0.00 -0.01 0.00 0.00 56.01 55.90 1faf n LEU 17 Cb 0.28 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.29 1faf n LEU 17 CO 0.22 0.10 -0.14 0.29 -1.51 0.00 0.00 177.39 176.36 1faf n LYS 18 N -1.59 -1.41 -3.87 3.23 4.01 -0.34 -4.71 118.16 113.48 1faf n LYS 18 Ca 0.05 0.89 -0.36 0.00 -0.51 0.00 0.00 58.31 58.38 1faf n LYS 18 Cb 0.35 -5.15 -0.13 0.00 -0.51 0.00 0.00 35.03 29.58 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 -3.71 3.84 1.03 -0.35 0.20 -1.19 -5.08 118.68 113.41 1faf s LEU 19 Ca 0.00 -1.11 -0.22 0.00 0.69 0.00 0.00 54.13 53.49 1faf s LEU 19 Cb 0.00 -1.75 -0.08 0.00 -0.43 0.00 0.00 46.19 43.92 1faf s LEU 19 CO 0.00 -0.24 -0.82 -2.65 -0.29 0.00 0.00 176.35 172.35 1faf n PRO 20 N 4.70 -0.47 0.02 0.98 -0.02 -1.26 -4.74 135.00 134.21 1faf n PRO 20 Ca -0.14 -0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.33 1faf n PRO 20 Cb 0.45 -1.27 0.19 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.85 0.13 0.02 -0.52 0.00 -1.26 -3.85 116.66 112.02 1faf n ARG 21 Ca -0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 57.85 57.81 1faf n ARG 21 Cb 0.67 -1.57 0.12 0.00 -0.00 0.00 0.00 32.46 31.67 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 0.00 0.49 -0.39 2.89 5.75 -2.06 -2.87 115.11 118.92 1faf h GLN 22 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1faf h GLN 22 Cb 0.61 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1faf h GLN 22 CO 0.00 0.84 0.00 1.47 -2.65 0.00 0.00 178.83 178.49 1faf n LEU 23 N -4.01 3.15 -4.52 -2.39 -0.00 -1.26 -4.92 117.00 103.05 1faf n LEU 23 Ca -0.02 -1.39 -0.26 0.00 -0.00 0.00 0.00 56.01 54.35 1faf n LEU 23 Cb 0.53 -0.25 -0.15 0.00 -0.00 0.00 0.00 43.42 43.55 1faf n LEU 23 CO 0.45 0.69 1.90 1.87 -0.00 0.00 0.00 177.39 182.30 1faf n TRP 24 N 1.28 0.60 0.00 1.47 -0.00 -1.09 -2.29 117.44 117.41 1faf n TRP 24 Ca 0.19 0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1faf n TRP 24 Cb 0.55 -1.71 0.00 0.00 -0.00 0.00 0.00 31.31 30.14 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 6.11 0.44 3.56 5.87 0.00 -1.26 -5.08 105.19 114.83 1faf n GLY 25 Ca 0.58 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 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 5.52 0.33 1.61 2.15 -0.97 -4.82 116.67 120.48 1faf s ASP 26 Ca 0.00 -0.82 0.12 0.00 0.43 0.00 0.00 52.55 52.27 1faf s ASP 26 Cb 0.00 -2.56 0.99 0.00 -0.30 0.00 0.00 42.92 41.05 1faf s ASP 26 CO 0.00 -2.39 1.68 0.15 -0.17 0.00 0.00 175.17 174.44 1faf h PHE 27 N 11.05 0.92 -0.74 -5.34 3.57 -1.98 0.21 116.94 124.63 1faf h PHE 27 Ca 0.10 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1faf h PHE 27 Cb 1.01 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1faf h PHE 27 CO 1.22 -0.10 0.40 0.78 -2.23 0.00 0.00 178.31 178.39 1faf h GLY 28 N 0.40 1.10 0.10 2.40 0.00 -1.99 -1.00 103.07 104.09 1faf h GLY 28 Ca 0.69 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1faf h GLY 28 CO -0.56 0.48 -0.08 3.21 0.00 0.00 0.00 176.54 179.58 1faf h ARG 29 N 1.04 0.03 -0.61 4.80 2.47 -1.05 -2.82 114.38 118.24 1faf h ARG 29 Ca 0.26 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.96 1faf h ARG 29 Cb 0.04 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 1faf h ARG 29 CO -0.04 1.00 0.36 0.00 0.56 0.00 0.00 179.97 181.85 1faf h MET 30 N -0.90 0.68 -0.28 0.04 -0.00 -1.17 -1.59 114.93 111.71 1faf h MET 30 Ca -0.01 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.70 59.56 1faf h MET 30 Cb 1.03 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.47 1faf h MET 30 CO 0.02 0.45 -0.20 0.37 -0.00 0.00 0.00 176.91 177.55 1faf h GLN 31 N 0.70 0.52 -0.51 -0.10 4.15 -1.31 -0.24 115.11 118.31 1faf h GLN 31 Ca 0.26 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1faf h GLN 31 Cb 0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1faf h GLN 31 CO -0.13 0.69 0.29 0.37 -1.93 0.00 0.00 178.83 178.12 1faf h GLN 32 N 0.46 0.71 -0.28 1.69 5.75 -1.07 -1.78 115.11 120.60 1faf h GLN 32 Ca 0.08 -0.08 -0.17 0.00 -0.15 0.00 0.00 58.65 58.32 1faf h GLN 32 Cb 0.60 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1faf h GLN 32 CO 0.04 0.55 -0.50 0.00 -2.65 0.00 0.00 178.83 176.27 1faf h ALA 33 N 1.13 0.44 0.02 3.38 0.00 -1.08 -2.24 119.26 120.90 1faf h ALA 33 Ca 0.18 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1faf h ALA 33 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1faf h ALA 33 CO -0.03 0.62 -0.33 -0.92 0.00 0.00 0.00 179.25 178.59 1faf h TYR 34 N 0.60 -0.90 -0.07 0.00 5.03 -0.78 0.79 116.97 121.65 1faf h TYR 34 Ca 0.02 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 1faf h TYR 34 Cb 1.11 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 39.78 1faf h TYR 34 CO 0.08 -0.42 -0.15 0.87 -1.32 0.00 0.00 178.16 177.22 1faf h LYS 35 N -0.49 0.11 -0.04 1.82 1.79 -1.38 0.65 116.57 119.02 1faf h LYS 35 Ca 0.06 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.31 1faf h LYS 35 Cb 0.57 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1faf h LYS 35 CO -0.26 0.26 -0.79 1.96 -1.08 0.00 0.00 179.45 179.54 1faf h GLN 36 N 0.11 0.34 0.00 3.15 4.20 -0.58 -3.16 115.11 119.17 1faf h GLN 36 Ca 0.02 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1faf h GLN 36 Cb 0.33 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1faf h GLN 36 CO 0.02 0.97 -1.08 1.04 -0.67 0.00 0.00 178.83 179.11 1faf n GLN 37 N -3.78 0.61 0.18 1.46 1.13 0.26 -3.92 117.38 113.32 1faf n GLN 37 Ca -0.04 0.14 0.03 0.00 -1.94 0.00 0.00 57.00 55.19 1faf n GLN 37 Cb 0.74 -1.82 0.32 0.00 0.11 0.00 0.00 30.24 29.59 1faf n GLN 37 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1faf h SER 38 N 0.00 0.00 -0.24 1.08 4.64 0.28 -2.03 113.55 117.27 1faf h SER 38 Ca -0.03 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1faf h SER 38 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1faf h SER 38 CO 0.01 0.43 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.91 1faf h LEU 39 N 0.00 0.85 0.00 5.97 3.38 -1.66 -2.53 115.31 121.32 1faf h LEU 39 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1faf h LEU 39 Cb 0.83 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1faf h LEU 39 CO 0.06 1.16 -0.22 0.00 0.09 0.00 0.00 178.44 179.52 1faf n LEU 40 N -4.03 0.27 -0.12 1.67 -0.00 -1.14 -3.33 117.00 110.31 1faf n LEU 40 Ca -0.02 0.30 0.11 0.00 -0.00 0.00 0.00 56.01 56.41 1faf n LEU 40 Cb 0.55 -0.38 0.13 0.00 -0.00 0.00 0.00 43.42 43.72 1faf n LEU 40 CO 0.48 0.03 0.33 0.18 -0.00 0.00 0.00 177.39 178.41 1faf n LEU 41 N -1.57 0.96 -4.77 1.47 4.77 -0.78 -3.69 117.00 113.39 1faf n LEU 41 Ca 0.06 -0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.34 1faf n LEU 41 Cb 0.35 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1faf n LEU 41 CO 0.31 0.21 0.96 -2.28 -1.33 0.00 0.00 177.39 175.25 1faf s HIS 42 N -2.83 2.95 -0.69 -1.77 2.46 -0.97 -3.84 115.29 110.59 1faf s HIS 42 Ca 0.14 1.43 0.15 0.00 0.47 0.00 0.00 55.06 57.25 1faf s HIS 42 Cb 0.17 -3.64 0.68 0.00 -0.13 0.00 0.00 32.58 29.66 1faf s HIS 42 CO 0.70 -1.90 1.46 -0.35 -2.47 0.00 0.00 174.74 172.18 1faf n PRO 43 N 0.43 0.08 0.11 2.88 -0.04 -1.25 -1.64 135.00 135.57 1faf n PRO 43 Ca 0.02 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1faf n PRO 43 Cb 0.43 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1faf n PRO 43 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1faf h ASP 44 N 0.00 0.00 -0.73 3.54 3.32 -1.91 -3.32 116.42 117.32 1faf h ASP 44 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1faf h ASP 44 Cb 0.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.59 1faf h ASP 44 CO 0.00 0.08 0.26 0.29 -1.72 0.00 0.00 179.24 178.15 1faf n LYS 45 N -2.75 3.67 0.00 3.56 4.01 -0.83 -4.89 118.16 120.94 1faf n LYS 45 Ca -0.01 -3.10 0.00 0.00 -0.51 0.00 0.00 58.31 54.70 1faf n LYS 45 Cb 0.59 -2.20 0.00 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 -0.19 2.85 3.69 0.72 0.00 -1.24 -4.94 105.19 106.08 1faf n GLY 46 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.89 1.67 0.32 -0.02 0.00 -0.65 -4.95 107.32 101.80 1faf s GLY 47 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.05 1faf s GLY 47 CO 0.00 0.83 0.62 -0.56 0.00 0.00 0.00 173.10 173.99 1faf s SER 48 N -2.91 6.48 -0.06 1.64 0.01 -1.25 -3.78 113.70 113.83 1faf s SER 48 Ca 0.65 0.85 -0.24 0.00 1.31 0.00 0.00 55.95 58.52 1faf s SER 48 Cb -0.21 -2.20 -0.26 0.00 0.21 0.00 0.00 66.02 63.56 1faf s SER 48 CO 0.58 -0.25 0.96 -0.74 0.41 0.00 0.00 173.24 174.20 1faf h HIS 49 N 1.61 0.32 -0.46 2.43 2.76 -1.94 -2.97 115.15 116.89 1faf h HIS 49 Ca -0.47 -0.19 0.13 0.00 -2.20 0.00 0.00 60.37 57.63 1faf h HIS 49 Cb 1.19 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.10 1faf h HIS 49 CO 0.59 1.06 0.40 0.00 -1.30 0.00 0.00 177.93 178.67 1faf h ALA 50 N 0.18 2.28 0.01 5.26 0.00 -1.95 -0.32 119.26 124.72 1faf h ALA 50 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1faf h ALA 50 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1faf h ALA 50 CO 0.07 -0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 178.61 1faf h LEU 51 N 0.00 -0.01 -2.14 0.00 4.07 -1.91 -3.11 115.31 112.21 1faf h LEU 51 Ca 0.22 -0.75 0.04 0.00 0.08 0.00 0.00 57.88 57.47 1faf h LEU 51 Cb 1.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1faf h LEU 51 CO -0.00 0.84 0.12 -0.03 -1.08 0.00 0.00 178.44 178.28 1faf h MET 52 N -0.96 0.00 -0.16 1.13 4.05 -1.20 -0.69 114.93 117.11 1faf h MET 52 Ca -0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1faf h MET 52 Cb 0.76 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1faf h MET 52 CO 0.00 0.00 -0.59 1.96 0.23 0.00 0.00 176.91 178.51 1faf h GLN 53 N 0.00 0.51 0.30 0.39 1.08 -1.16 -2.87 115.11 113.36 1faf h GLN 53 Ca 0.07 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 1faf h GLN 53 Cb 0.30 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1faf h GLN 53 CO -0.00 0.95 -0.14 0.93 -0.95 0.00 0.00 178.83 179.62 1faf h GLU 54 N 0.38 -0.39 -0.28 1.46 5.08 -1.05 -1.53 114.58 118.26 1faf h GLU 54 Ca -0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1faf h GLU 54 Cb 1.14 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1faf h GLU 54 CO 0.11 -0.12 -0.14 1.25 -1.00 0.00 0.00 179.01 179.11 1faf h LEU 55 N -0.62 -0.46 -1.63 1.33 5.85 -1.55 0.71 115.31 118.95 1faf h LEU 55 Ca -0.04 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1faf h LEU 55 Cb 0.44 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1faf h LEU 55 CO 0.07 -0.17 0.23 0.78 -0.34 0.00 0.00 178.44 179.00 1faf h ASN 56 N -0.10 0.41 0.05 1.25 4.21 -1.51 0.89 115.58 120.79 1faf h ASN 56 Ca 0.15 -0.01 -0.24 0.00 1.21 0.00 0.00 56.30 57.40 1faf h ASN 56 Cb 0.32 -0.10 0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1faf h ASN 56 CO -0.34 0.31 -0.97 -1.28 -1.29 0.00 0.00 177.43 173.86 1faf h SER 57 N 0.49 0.76 1.06 5.81 0.87 -0.06 0.20 113.55 122.68 1faf h SER 57 Ca 0.13 -0.79 -0.11 0.00 -1.23 0.00 0.00 61.79 59.79 1faf h SER 57 Cb -0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1faf h SER 57 CO -0.03 1.47 -0.53 -0.07 -0.53 0.00 0.00 176.83 177.14 1faf h LEU 58 N 0.15 0.00 0.00 2.23 3.38 0.85 -2.98 115.31 118.94 1faf h LEU 58 Ca -0.14 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1faf h LEU 58 Cb 1.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1faf h LEU 58 CO 0.19 0.53 -1.32 -0.25 0.09 0.00 0.00 178.44 177.68 1faf h TRP 59 N 0.00 0.00 0.31 1.13 2.91 0.75 -3.21 115.95 117.84 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 1.20 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1faf h TRP 59 CO 0.00 0.47 -0.15 0.78 -1.03 0.00 0.00 178.44 178.51 1faf h GLY 60 N 3.76 -0.43 0.29 2.65 0.00 -0.54 0.24 103.07 109.04 1faf h GLY 60 Ca -0.13 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.44 1faf h GLY 60 CO 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 176.54 176.36 1faf h THR 61 N -0.67 0.65 -0.70 4.70 1.03 -1.73 0.14 112.91 116.33 1faf h THR 61 Ca -0.04 -0.01 0.13 0.00 -0.01 0.00 0.00 66.41 66.48 1faf h THR 61 Cb 0.32 0.61 -0.13 0.00 -1.07 0.00 0.00 68.15 67.88 1faf h THR 61 CO 0.07 0.01 -0.23 0.15 -0.01 0.00 0.00 175.52 175.50 1faf h PHE 62 N 0.04 -0.56 -0.83 0.00 3.57 -1.62 0.61 116.94 118.15 1faf h PHE 62 Ca 0.19 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.86 1faf h PHE 62 Cb 0.28 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 1faf h PHE 62 CO -0.31 -0.34 0.54 -0.22 -2.23 0.00 0.00 178.31 175.75 1faf h LYS 63 N -0.05 0.72 -1.05 1.11 3.64 0.22 0.01 116.57 121.18 1faf h LYS 63 Ca 0.32 -0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.93 1faf h LYS 63 Cb 0.54 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.08 1faf h LYS 63 CO -0.74 0.48 0.65 1.15 -2.27 0.00 0.00 179.45 178.72 1faf h THR 64 N 0.74 0.47 0.01 1.00 2.02 0.16 0.94 112.91 118.25 1faf h THR 64 Ca 0.39 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 67.16 1faf h THR 64 Cb 0.50 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1faf h THR 64 CO -0.16 0.08 -1.42 -0.33 0.37 0.00 0.00 175.52 174.06 1faf h GLU 65 N 0.43 0.03 -0.17 6.66 4.39 -1.01 -3.35 114.58 121.55 1faf h GLU 65 Ca 0.65 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.32 1faf h GLU 65 Cb 1.52 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1faf h GLU 65 CO -0.40 0.76 0.03 0.28 -1.16 0.00 0.00 179.01 178.52 1faf h VAL 66 N 0.01 0.93 -0.84 3.13 2.07 0.21 0.70 116.25 122.45 1faf h VAL 66 Ca -0.18 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.41 1faf h VAL 66 Cb 1.92 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 1faf h VAL 66 CO 0.11 0.02 0.54 1.88 0.02 0.00 0.00 177.57 180.14 1faf h TYR 67 N 0.10 0.86 0.00 1.57 -1.99 -0.83 -0.76 116.97 115.92 1faf h TYR 67 Ca 0.07 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1faf h TYR 67 Cb 0.07 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.52 1faf h TYR 67 CO -0.13 0.40 -0.67 0.27 -0.00 0.00 0.00 178.16 178.02 1faf n ASN 68 N -4.52 0.62 -0.04 3.88 0.23 -0.87 -3.98 115.26 110.60 1faf n ASN 68 Ca 0.14 -0.05 -0.01 0.00 -0.53 0.00 0.00 54.58 54.13 1faf n ASN 68 Cb 0.32 0.32 0.26 0.00 -2.08 0.00 0.00 39.78 38.59 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 1faf h LEU 69 N 0.00 0.57 0.00 -4.53 8.10 0.20 -1.29 115.31 118.36 1faf h LEU 69 Ca 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1faf h LEU 69 Cb 0.67 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1faf h LEU 69 CO 0.00 0.63 0.00 0.54 -4.11 0.00 0.00 178.44 175.50 1faf n ARG 70 N -4.27 0.91 -0.05 0.17 1.74 -1.19 -3.00 116.66 110.96 1faf n ARG 70 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1faf n ARG 70 Cb 0.25 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.09 -2.03 5.56 2.81 -0.51 -4.94 117.12 118.15 1faf n MET 71 Ca 0.20 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.60 1faf n MET 71 Cb 0.09 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 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 -4.63 6.57 0.05 7.83 0.01 -1.04 -4.81 114.94 118.93 1faf s ASN 72 Ca -0.07 2.06 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 1faf s ASN 72 Cb 0.07 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1faf s ASN 72 CO 0.68 -1.03 0.00 -0.11 -1.51 0.00 0.00 177.10 175.13 1faf n LEU 73 N 7.56 0.12 0.00 0.60 0.00 -1.26 -5.04 117.00 118.98 1faf n LEU 73 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1faf n LEU 73 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1faf n LEU 73 CO 0.63 -0.57 0.00 0.61 0.00 0.00 0.00 177.39 178.05 1faf n GLY 74 N 2.50 -1.80 0.00 -3.96 0.00 -1.26 -5.18 105.19 95.49 1faf n GLY 74 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 2.44 0.02 -0.02 0.00 -1.26 -5.02 105.19 101.35 1faf n GLY 75 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 1faf n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1faf n THR 76 N -1.94 0.19 0.00 2.61 -2.24 -1.26 -5.07 114.28 106.57 1faf n THR 76 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1faf n THR 76 Cb 0.00 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1faf n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1faf n GLY 77 N 3.27 1.93 3.69 3.38 0.00 -1.26 -5.00 105.19 111.20 1faf n GLY 77 Ca -0.06 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 3.26 -2.00 1.61 2.19 -1.26 -5.34 117.98 116.45 1faf s PHE 78 Ca 0.00 1.30 0.11 0.00 0.33 0.00 0.00 56.93 58.67 1faf s PHE 78 Cb 0.00 -3.37 0.65 0.00 -1.31 0.00 0.00 43.02 38.99 1faf s PHE 78 CO 0.00 -1.08 1.09 1.04 1.83 0.00 0.00 175.22 178.10