#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 7.20 -0.42 7.83 2.15 -1.26 -4.99 116.67 127.18 1faf s ASP 2 Ca 0.00 1.62 0.03 0.00 0.43 0.00 0.00 52.55 54.63 1faf s ASP 2 Cb 0.00 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 1faf s ASP 2 CO 0.00 -0.47 0.32 -0.13 -0.17 0.00 0.00 175.17 174.71 1faf s ARG 3 N 1.99 0.96 -0.06 4.34 0.52 -1.26 -5.10 118.95 120.35 1faf s ARG 3 Ca 0.51 -2.03 0.01 0.00 -0.52 0.00 0.00 55.73 53.69 1faf s ARG 3 Cb -0.20 -1.59 0.02 0.00 0.52 0.00 0.00 34.95 33.70 1faf s ARG 3 CO 0.20 -1.33 -0.05 0.14 0.02 0.00 0.00 175.30 174.27 1faf s VAL 4 N 0.18 0.66 0.30 3.52 -7.23 -1.26 -4.77 120.40 111.80 1faf s VAL 4 Ca 0.28 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.18 1faf s VAL 4 Cb -0.04 -0.70 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 1faf s VAL 4 CO -0.14 0.27 0.67 -1.48 -0.31 0.00 0.00 175.10 174.11 1faf s LEU 5 N 1.19 4.07 0.00 1.32 2.34 -1.26 -5.09 118.68 121.25 1faf s LEU 5 Ca -0.06 1.12 -0.02 0.00 0.06 0.00 0.00 54.13 55.23 1faf s LEU 5 Cb -0.14 -3.92 0.08 0.00 -0.56 0.00 0.00 46.19 41.65 1faf s LEU 5 CO -0.01 -0.18 0.51 -1.54 -1.06 0.00 0.00 176.35 174.06 1faf n SER 6 N -0.41 0.54 -0.06 1.48 3.41 -1.26 -4.84 113.62 112.48 1faf n SER 6 Ca 0.02 -1.49 0.09 0.00 -0.26 0.00 0.00 58.87 57.23 1faf n SER 6 Cb 0.53 -0.34 0.47 0.00 -0.26 0.00 0.00 64.21 64.61 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 0.46 -0.18 4.33 -0.00 -2.00 -2.21 114.38 114.78 1faf h ARG 7 Ca -0.17 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.98 59.75 1faf h ARG 7 Cb 0.58 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 30.44 1faf h ARG 7 CO 0.17 0.30 -0.04 0.00 -0.00 0.00 0.00 179.97 180.40 1faf h ALA 8 N 1.71 0.24 0.77 0.08 0.00 -1.98 -2.04 119.26 118.04 1faf h ALA 8 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1faf h ALA 8 Cb 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1faf h ALA 8 CO -0.07 -0.00 -0.47 -0.44 0.00 0.00 0.00 179.25 178.27 1faf h ASP 9 N 0.05 -1.18 -1.00 0.00 3.32 -1.76 0.50 116.42 116.34 1faf h ASP 9 Ca 0.05 0.06 0.17 0.00 0.02 0.00 0.00 57.03 57.33 1faf h ASP 9 Cb 0.47 0.34 -0.10 0.00 0.22 0.00 0.00 39.33 40.26 1faf h ASP 9 CO 0.02 -0.73 0.62 0.07 -1.72 0.00 0.00 179.24 177.50 1faf h LYS 10 N -1.16 0.80 -0.61 3.56 5.09 -1.54 0.78 116.57 123.48 1faf h LYS 10 Ca -0.10 -0.05 -0.08 0.00 0.09 0.00 0.00 60.65 60.51 1faf h LYS 10 Cb 0.93 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 33.06 1faf h LYS 10 CO 0.11 0.53 0.08 0.93 -2.09 0.00 0.00 179.45 179.00 1faf h GLU 11 N 0.82 1.01 -0.04 0.07 5.08 -0.93 -1.01 114.58 119.58 1faf h GLU 11 Ca 0.55 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1faf h GLU 11 Cb 0.79 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1faf h GLU 11 CO -0.34 0.95 -0.53 -0.09 -1.00 0.00 0.00 179.01 177.99 1faf h ARG 12 N 0.95 0.11 -0.02 2.33 2.43 0.44 -2.26 114.38 118.35 1faf h ARG 12 Ca 0.19 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1faf h ARG 12 Cb 0.44 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1faf h ARG 12 CO 0.01 0.62 -0.66 1.25 -1.51 0.00 0.00 179.97 179.68 1faf h LEU 13 N 0.09 0.12 -0.06 3.80 5.85 0.84 -2.95 115.31 122.99 1faf h LEU 13 Ca -0.00 -0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1faf h LEU 13 Cb 0.97 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.98 1faf h LEU 13 CO 0.08 0.74 -0.80 -0.07 -0.34 0.00 0.00 178.44 178.05 1faf h LEU 14 N 0.07 0.81 -1.01 2.25 3.38 -0.98 -1.89 115.31 117.94 1faf h LEU 14 Ca -0.01 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 1faf h LEU 14 Cb 1.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1faf h LEU 14 CO 0.09 1.39 0.42 -0.33 0.09 0.00 0.00 178.44 180.10 1faf h GLU 15 N 0.31 1.12 0.00 1.13 4.39 -1.42 -1.88 114.58 118.23 1faf h GLU 15 Ca -0.08 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1faf h GLU 15 Cb 1.46 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1faf h GLU 15 CO 0.16 0.83 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.59 1faf h LEU 16 N 1.12 0.00 -0.40 1.33 3.38 -1.56 -3.22 115.31 115.96 1faf h LEU 16 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1faf h LEU 16 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1faf h LEU 16 CO -0.04 0.01 -0.24 0.18 0.09 0.00 0.00 178.44 178.44 1faf n LEU 17 N -2.80 0.86 -1.24 1.67 7.99 -0.71 -4.79 117.00 117.98 1faf n LEU 17 Ca 0.04 -0.18 -0.13 0.00 -0.01 0.00 0.00 56.01 55.72 1faf n LEU 17 Cb 0.51 -0.15 -0.06 0.00 -0.11 0.00 0.00 43.42 43.61 1faf n LEU 17 CO 0.34 0.16 -0.13 0.29 -1.51 0.00 0.00 177.39 176.55 1faf n LYS 18 N -0.77 -1.44 -3.65 3.23 4.01 -0.77 -4.70 118.16 114.06 1faf n LYS 18 Ca 0.12 0.85 -0.39 0.00 -0.51 0.00 0.00 58.31 58.38 1faf n LYS 18 Cb 0.33 -5.10 -0.12 0.00 -0.51 0.00 0.00 35.03 29.64 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 -3.48 4.51 0.00 -0.35 0.20 -1.16 -5.08 118.68 113.31 1faf s LEU 19 Ca 0.00 -0.99 -0.05 0.00 0.69 0.00 0.00 54.13 53.78 1faf s LEU 19 Cb 0.00 -1.97 0.08 0.00 -0.43 0.00 0.00 46.19 43.87 1faf s LEU 19 CO 0.00 -0.34 0.19 -2.65 -0.29 0.00 0.00 176.35 173.25 1faf n PRO 20 N 4.94 0.02 -0.01 0.98 -0.02 -1.26 -4.73 135.00 134.92 1faf n PRO 20 Ca -0.12 -0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 60.89 1faf n PRO 20 Cb 0.46 -0.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.96 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 -0.23 0.70 -0.22 -0.52 1.74 -1.26 -3.78 116.66 113.09 1faf n ARG 21 Ca 0.03 0.27 0.21 0.00 -0.77 0.00 0.00 57.85 57.59 1faf n ARG 21 Cb 0.13 -1.75 0.55 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.04 0.31 -0.62 5.56 4.15 -2.06 0.41 115.11 122.90 1faf h GLN 22 Ca -0.36 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1faf h GLN 22 Cb 2.03 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.65 1faf h GLN 22 CO 0.08 0.21 0.00 1.47 -1.93 0.00 0.00 178.83 178.66 1faf n LEU 23 N -4.47 4.26 -4.54 -2.39 -0.00 -1.26 -4.93 117.00 103.67 1faf n LEU 23 Ca 0.19 -2.28 -0.22 0.00 -0.00 0.00 0.00 56.01 53.70 1faf n LEU 23 Cb 0.74 -0.51 -0.11 0.00 -0.00 0.00 0.00 43.42 43.54 1faf n LEU 23 CO 0.32 0.86 1.65 1.87 -0.00 0.00 0.00 177.39 182.08 1faf n TRP 24 N 1.14 0.89 0.00 1.47 -0.00 0.14 -0.76 117.44 120.33 1faf n TRP 24 Ca 0.24 0.04 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 1faf n TRP 24 Cb 0.75 -2.11 0.00 0.00 -0.00 0.00 0.00 31.31 29.95 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 6.34 0.95 3.55 5.87 0.00 -1.26 -5.08 105.19 115.55 1faf n GLY 25 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 1faf n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1faf n ASP 26 N 0.00 1.88 -0.15 1.61 -0.08 0.06 -4.80 116.55 115.06 1faf n ASP 26 Ca 0.00 -0.66 -0.04 0.00 -1.51 0.00 0.00 54.79 52.58 1faf n ASP 26 Cb 0.00 -1.50 0.05 0.00 2.34 0.00 0.00 41.12 42.01 1faf n ASP 26 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1faf h PHE 27 N 17.12 0.34 -0.69 -0.67 3.57 -1.98 0.41 116.94 135.04 1faf h PHE 27 Ca -0.16 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1faf h PHE 27 Cb 1.21 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1faf h PHE 27 CO 1.03 0.13 0.25 0.78 -2.23 0.00 0.00 178.31 178.27 1faf h GLY 28 N 0.38 1.12 1.27 2.40 0.00 -2.00 -1.62 103.07 104.62 1faf h GLY 28 Ca 0.22 -0.62 -0.33 0.00 0.00 0.00 0.00 47.33 46.61 1faf h GLY 28 CO -0.21 0.58 -1.49 -0.09 0.00 0.00 0.00 176.54 175.33 1faf h ARG 29 N 1.01 0.45 -0.19 4.80 1.12 -1.85 -2.98 114.38 116.74 1faf h ARG 29 Ca 0.23 -0.78 -0.02 0.00 -1.11 0.00 0.00 59.98 58.30 1faf h ARG 29 Cb 0.24 0.29 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1faf h ARG 29 CO -0.01 1.36 0.04 0.00 -3.11 0.00 0.00 179.97 178.25 1faf h MET 30 N 0.12 0.31 -0.66 0.20 -0.00 -0.15 -1.80 114.93 112.96 1faf h MET 30 Ca -0.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.35 1faf h MET 30 Cb 2.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 33.65 1faf h MET 30 CO 0.24 0.45 0.32 0.37 -0.00 0.00 0.00 176.91 178.29 1faf h GLN 31 N 0.12 0.95 -0.88 -0.10 4.15 -1.43 0.31 115.11 118.22 1faf h GLN 31 Ca 0.06 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.40 1faf h GLN 31 Cb 0.28 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1faf h GLN 31 CO 0.00 0.75 0.58 0.37 -1.93 0.00 0.00 178.83 178.60 1faf h GLN 32 N 0.91 1.00 -0.05 1.69 4.15 -1.39 0.16 115.11 121.59 1faf h GLN 32 Ca 0.23 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 1faf h GLN 32 Cb 0.11 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.58 1faf h GLN 32 CO -0.03 0.66 -0.48 0.00 -1.93 0.00 0.00 178.83 177.05 1faf h ALA 33 N 1.51 0.12 -0.56 3.38 0.00 -0.67 -2.68 119.26 120.36 1faf h ALA 33 Ca 0.37 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1faf h ALA 33 Cb 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1faf h ALA 33 CO -0.13 0.31 0.24 -0.92 0.00 0.00 0.00 179.25 178.75 1faf h TYR 34 N -0.07 0.43 0.00 0.00 5.03 0.24 0.50 116.97 123.09 1faf h TYR 34 Ca -0.05 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.24 1faf h TYR 34 Cb 1.16 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 1faf h TYR 34 CO 0.13 0.16 -0.22 0.87 -1.32 0.00 0.00 178.16 177.78 1faf h LYS 35 N 0.45 0.00 -0.05 1.82 1.57 -0.74 0.45 116.57 120.07 1faf h LYS 35 Ca 0.27 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1faf h LYS 35 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1faf h LYS 35 CO -0.24 0.22 -0.28 0.37 -0.57 0.00 0.00 179.45 178.96 1faf h GLN 36 N 0.00 0.27 0.00 3.15 5.75 -0.63 -2.92 115.11 120.73 1faf h GLN 36 Ca -0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1faf h GLN 36 Cb 0.43 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1faf h GLN 36 CO 0.03 0.89 -0.35 1.96 -2.65 0.00 0.00 178.83 178.70 1faf h GLN 37 N -0.27 0.00 0.00 1.69 1.08 -0.86 -3.25 115.11 113.49 1faf h GLN 37 Ca -0.02 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 1faf h GLN 37 Cb 0.95 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 1faf h GLN 37 CO 0.06 0.14 -0.64 0.66 -0.95 0.00 0.00 178.83 178.10 1faf h SER 38 N 0.00 0.00 0.20 1.46 4.64 -0.17 -1.54 113.55 118.14 1faf h SER 38 Ca -0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1faf h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1faf h SER 38 CO 0.02 0.64 -0.79 -0.07 -0.87 0.00 0.00 176.83 175.76 1faf h LEU 39 N 0.00 0.58 0.00 5.97 3.38 -1.55 -3.12 115.31 120.57 1faf h LEU 39 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1faf h LEU 39 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1faf h LEU 39 CO 0.08 1.17 -0.36 0.00 0.09 0.00 0.00 178.44 179.42 1faf n LEU 40 N -3.83 0.76 -1.20 1.67 -0.00 -1.19 -3.40 117.00 109.80 1faf n LEU 40 Ca -0.06 0.38 0.07 0.00 -0.00 0.00 0.00 56.01 56.40 1faf n LEU 40 Cb 0.75 -0.24 0.26 0.00 -0.00 0.00 0.00 43.42 44.19 1faf n LEU 40 CO 0.50 -0.11 0.70 0.18 -0.00 0.00 0.00 177.39 178.66 1faf n LEU 41 N -2.19 3.51 -4.79 1.47 4.77 -0.59 -3.50 117.00 115.69 1faf n LEU 41 Ca 0.04 -1.77 -0.38 0.00 -0.03 0.00 0.00 56.01 53.87 1faf n LEU 41 Cb 0.44 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1faf n LEU 41 CO 0.34 0.65 0.24 -2.28 -1.33 0.00 0.00 177.39 175.01 1faf s HIS 42 N -1.67 3.73 0.61 -1.77 2.46 -1.20 -3.92 115.29 113.53 1faf s HIS 42 Ca 0.38 1.17 0.27 0.00 0.47 0.00 0.00 55.06 57.35 1faf s HIS 42 Cb 0.23 -2.50 1.25 0.00 -0.13 0.00 0.00 32.58 31.43 1faf s HIS 42 CO 0.20 0.50 1.66 -1.35 -2.47 0.00 0.00 174.74 173.27 1faf h PRO 43 N 5.06 0.00 0.00 2.88 0.11 -1.85 0.65 132.00 138.84 1faf h PRO 43 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1faf h PRO 43 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1faf h PRO 43 CO 0.66 0.00 -1.18 0.22 -0.21 0.00 0.00 178.00 177.49 1faf h ASP 44 N 0.00 0.00 -0.83 -2.05 1.82 -1.92 -3.34 116.42 110.10 1faf h ASP 44 Ca 0.28 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.47 1faf h ASP 44 Cb 1.75 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 41.50 1faf h ASP 44 CO -0.00 0.50 0.46 0.29 -1.61 0.00 0.00 179.24 178.87 1faf n LYS 45 N -2.94 2.21 -2.97 0.28 4.01 0.21 -4.90 118.16 114.06 1faf n LYS 45 Ca -0.06 -3.11 -0.12 0.00 -0.51 0.00 0.00 58.31 54.51 1faf n LYS 45 Cb 0.79 -2.10 0.05 0.00 -0.51 0.00 0.00 35.03 33.26 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 -0.02 3.56 0.72 0.00 -1.02 -4.69 105.19 102.63 1faf n GLY 46 Ca 0.53 -0.12 -0.24 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 -3.62 1.75 0.45 -0.02 0.00 -0.00 -4.82 107.32 101.06 1faf s GLY 47 Ca 0.12 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 1faf s GLY 47 CO 0.45 -1.78 0.71 -0.56 0.00 0.00 0.00 173.10 171.91 1faf s SER 48 N -3.47 6.13 -0.14 1.64 0.01 -1.25 -3.94 113.70 112.68 1faf s SER 48 Ca 0.30 0.66 -0.25 0.00 1.31 0.00 0.00 55.95 57.97 1faf s SER 48 Cb -0.06 -2.01 -0.25 0.00 0.21 0.00 0.00 66.02 63.90 1faf s SER 48 CO 0.17 -0.57 0.63 -0.74 0.41 0.00 0.00 173.24 173.14 1faf h HIS 49 N 0.36 0.11 -0.07 2.43 2.76 -1.99 -2.83 115.15 115.93 1faf h HIS 49 Ca -0.47 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 57.63 1faf h HIS 49 Cb 1.22 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 1faf h HIS 49 CO 0.53 1.22 0.07 0.00 -1.30 0.00 0.00 177.93 178.44 1faf h ALA 50 N -0.11 1.75 0.00 5.26 0.00 -1.97 -1.87 119.26 122.31 1faf h ALA 50 Ca -0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1faf h ALA 50 Cb 1.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1faf h ALA 50 CO -0.03 -0.10 -0.15 -0.07 0.00 0.00 0.00 179.25 178.90 1faf h LEU 51 N 0.00 0.00 -0.80 0.00 4.07 -1.94 -2.79 115.31 113.85 1faf h LEU 51 Ca 0.03 -0.67 0.15 0.00 0.08 0.00 0.00 57.88 57.47 1faf h LEU 51 Cb 0.17 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.81 1faf h LEU 51 CO -0.00 0.93 0.35 -0.03 -1.08 0.00 0.00 178.44 178.61 1faf h MET 52 N -1.00 0.48 -0.14 1.13 4.05 -1.23 0.19 114.93 118.41 1faf h MET 52 Ca -0.04 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 1faf h MET 52 Cb 0.78 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1faf h MET 52 CO -0.02 0.32 -0.44 -0.56 0.23 0.00 0.00 176.91 176.43 1faf h GLN 53 N 0.49 0.33 0.07 0.39 -0.00 -1.48 -0.69 115.11 114.22 1faf h GLN 53 Ca 0.45 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1faf h GLN 53 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 1faf h GLN 53 CO -0.41 0.72 -0.03 1.49 -0.00 0.00 0.00 178.83 180.60 1faf h GLU 54 N 0.27 -0.09 -0.49 0.06 4.81 -0.43 0.18 114.58 118.90 1faf h GLU 54 Ca 0.02 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1faf h GLU 54 Cb 0.90 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1faf h GLU 54 CO 0.07 0.15 -0.09 1.25 -0.73 0.00 0.00 179.01 179.66 1faf h LEU 55 N -0.31 0.87 0.01 1.64 5.85 -0.94 0.83 115.31 123.26 1faf h LEU 55 Ca -0.01 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1faf h LEU 55 Cb 0.27 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1faf h LEU 55 CO 0.02 0.98 -0.01 0.78 -0.34 0.00 0.00 178.44 179.87 1faf h ASN 56 N 0.80 -0.01 0.49 1.25 2.35 -1.01 0.92 115.58 120.35 1faf h ASN 56 Ca 0.13 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1faf h ASN 56 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1faf h ASN 56 CO 0.04 0.21 -0.27 0.28 -1.65 0.00 0.00 177.43 176.04 1faf h SER 57 N -0.24 0.00 1.21 5.81 0.02 -0.57 0.20 113.55 119.98 1faf h SER 57 Ca -0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1faf h SER 57 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1faf h SER 57 CO 0.00 0.27 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.25 1faf h LEU 58 N 0.00 0.00 0.00 5.07 3.38 -0.53 -2.59 115.31 120.64 1faf h LEU 58 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1faf h LEU 58 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1faf h LEU 58 CO 0.04 0.64 -1.55 1.87 0.09 0.00 0.00 178.44 179.53 1faf n TRP 59 N -3.33 0.97 0.16 1.13 -0.00 0.29 -3.23 117.44 113.43 1faf n TRP 59 Ca 0.01 0.33 -0.07 0.00 -0.00 0.00 0.00 57.50 57.77 1faf n TRP 59 Cb 0.76 -1.12 -0.03 0.00 -0.00 0.00 0.00 31.31 30.91 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 3.64 -0.48 0.14 5.87 0.00 -0.65 0.73 103.07 112.33 1faf h GLY 60 Ca -0.22 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.38 1faf h GLY 60 CO 0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 176.54 176.29 1faf h THR 61 N -0.97 0.54 -0.63 4.70 1.03 -1.67 0.29 112.91 116.21 1faf h THR 61 Ca -0.05 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.47 1faf h THR 61 Cb 0.36 0.54 -0.12 0.00 -1.07 0.00 0.00 68.15 67.86 1faf h THR 61 CO 0.08 0.00 -0.30 0.15 -0.01 0.00 0.00 175.52 175.44 1faf h PHE 62 N -0.04 -0.79 -0.91 0.00 3.57 -1.63 0.50 116.94 117.65 1faf h PHE 62 Ca 0.19 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.83 1faf h PHE 62 Cb 0.34 0.44 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1faf h PHE 62 CO -0.38 -0.36 0.59 0.87 -2.23 0.00 0.00 178.31 176.80 1faf h LYS 63 N -0.12 0.99 -1.00 1.11 1.57 0.18 0.41 116.57 119.71 1faf h LYS 63 Ca 0.26 -0.06 0.24 0.00 -1.87 0.00 0.00 60.65 59.23 1faf h LYS 63 Cb 0.54 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 1faf h LYS 63 CO -0.70 0.66 0.65 1.15 -0.57 0.00 0.00 179.45 180.63 1faf h THR 64 N 1.02 0.58 0.00 -0.16 2.02 0.33 0.91 112.91 117.61 1faf h THR 64 Ca 0.39 -0.15 -0.23 0.00 0.77 0.00 0.00 66.41 67.19 1faf h THR 64 Cb 0.21 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 1faf h THR 64 CO -0.15 0.08 -1.31 -0.33 0.37 0.00 0.00 175.52 174.18 1faf h GLU 65 N 0.44 0.00 0.35 6.66 4.39 -0.78 -3.33 114.58 122.31 1faf h GLU 65 Ca 0.56 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.25 1faf h GLU 65 Cb 1.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1faf h GLU 65 CO -0.27 0.68 -0.25 0.28 -1.16 0.00 0.00 179.01 178.28 1faf h VAL 66 N 0.00 0.47 -0.49 3.13 2.07 0.27 1.32 116.25 123.02 1faf h VAL 66 Ca -0.14 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.51 1faf h VAL 66 Cb 1.83 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1faf h VAL 66 CO 0.10 0.00 0.35 0.22 0.02 0.00 0.00 177.57 178.25 1faf h TYR 67 N -0.60 0.07 0.00 1.57 5.03 -0.96 0.30 116.97 122.38 1faf h TYR 67 Ca -0.03 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1faf h TYR 67 Cb 0.51 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1faf h TYR 67 CO -0.12 0.03 -1.13 0.09 -1.32 0.00 0.00 178.16 175.72 1faf n ASN 68 N -4.41 0.81 0.20 -2.11 3.02 -0.73 -4.03 115.26 108.00 1faf n ASN 68 Ca 0.09 0.32 0.06 0.00 -0.03 0.00 0.00 54.58 55.02 1faf n ASN 68 Cb 0.52 0.48 0.56 0.00 -0.61 0.00 0.00 39.78 40.74 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 0.10 -0.28 3.41 8.10 0.39 0.82 115.31 127.85 1faf h LEU 69 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1faf h LEU 69 Cb 1.10 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1faf h LEU 69 CO 0.01 0.12 0.00 0.54 -4.11 0.00 0.00 178.44 174.99 1faf n ARG 70 N -4.48 1.19 0.02 0.17 3.00 -1.19 -4.12 116.66 111.25 1faf n ARG 70 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 57.85 57.54 1faf n ARG 70 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.13 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 -0.62 0.00 -1.80 5.56 2.81 0.05 -5.04 117.12 118.09 1faf n MET 71 Ca 0.20 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.68 1faf n MET 71 Cb 0.17 -0.46 -0.02 0.00 -0.71 0.00 0.00 33.22 32.19 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 -5.26 6.43 0.06 7.83 0.02 0.26 -4.83 114.94 119.46 1faf s ASN 72 Ca 0.00 2.84 0.00 0.00 -1.02 0.00 0.00 52.86 54.68 1faf s ASN 72 Cb 0.00 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1faf s ASN 72 CO 0.00 -0.91 0.00 0.18 0.02 0.00 0.00 177.10 176.39 1faf n LEU 73 N 3.23 -0.12 0.00 0.60 4.32 -1.26 -4.83 117.00 118.94 1faf n LEU 73 Ca 0.12 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1faf n LEU 73 Cb 0.37 0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1faf n LEU 73 CO 0.63 -0.54 0.00 0.61 -1.22 0.00 0.00 177.39 176.87 1faf n GLY 74 N 1.20 1.18 0.00 -0.72 0.00 -1.26 -5.00 105.19 100.59 1faf n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.02 3.70 -0.02 0.00 -1.26 -5.10 105.19 102.49 1faf n GLY 75 Ca 0.00 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 5.09 -0.22 2.61 -4.23 -1.26 -4.96 115.64 112.68 1faf s THR 76 Ca 0.00 1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.64 1faf s THR 76 Cb 0.00 -3.92 -0.13 0.00 1.34 0.00 0.00 72.50 69.79 1faf s THR 76 CO 0.00 0.23 -0.22 0.61 -0.54 0.00 0.00 174.62 174.70 1faf n GLY 77 N 3.43 -0.32 3.76 3.99 0.00 -1.26 -4.87 105.19 109.92 1faf n GLY 77 Ca -0.04 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.43 3.91 -2.91 1.61 0.08 -1.26 -5.11 117.98 111.88 1faf s PHE 78 Ca -0.30 1.81 0.23 0.00 0.12 0.00 0.00 56.93 58.80 1faf s PHE 78 Cb 0.09 -2.91 0.18 0.00 -0.57 0.00 0.00 43.02 39.82 1faf s PHE 78 CO 0.47 0.43 1.24 0.94 -0.10 0.00 0.00 175.22 178.20