#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 0.91 -4.44 6.12 5.75 -1.26 -4.76 116.55 118.88 1faf n ASP 2 Ca 0.00 -0.88 -0.44 0.00 -0.01 0.00 0.00 54.79 53.45 1faf n ASP 2 Cb 0.00 0.98 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1faf s ARG 3 N -3.03 3.69 -0.04 0.11 3.00 -1.26 -4.96 118.95 116.45 1faf s ARG 3 Ca 0.07 -2.00 -0.01 0.00 0.00 0.00 0.00 55.73 53.79 1faf s ARG 3 Cb 0.16 -4.87 0.03 0.00 0.00 0.00 0.00 34.95 30.27 1faf s ARG 3 CO 0.86 -1.70 0.03 0.14 0.00 0.00 0.00 175.30 174.63 1faf s VAL 4 N 2.13 0.04 0.01 3.52 -7.23 -1.26 -4.88 120.40 112.73 1faf s VAL 4 Ca 0.32 0.28 -0.22 0.00 -1.81 0.00 0.00 61.98 60.55 1faf s VAL 4 Cb -0.05 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 1faf s VAL 4 CO -0.08 0.18 0.64 -1.48 -0.31 0.00 0.00 175.10 174.05 1faf s LEU 5 N 1.77 4.42 0.94 1.32 2.34 -1.26 -5.07 118.68 123.14 1faf s LEU 5 Ca 0.00 1.23 -0.14 0.00 0.06 0.00 0.00 54.13 55.29 1faf s LEU 5 Cb -0.12 -3.00 0.16 0.00 -0.56 0.00 0.00 46.19 42.67 1faf s LEU 5 CO -0.03 0.08 1.19 -0.94 -1.06 0.00 0.00 176.35 175.59 1faf s SER 6 N -0.14 3.26 0.45 1.48 1.04 -1.26 -4.63 113.70 113.90 1faf s SER 6 Ca 0.33 0.70 0.24 0.00 0.48 0.00 0.00 55.95 57.69 1faf s SER 6 Cb -0.19 -1.07 1.24 0.00 0.10 0.00 0.00 66.02 66.11 1faf s SER 6 CO 0.19 -2.68 1.83 -0.09 0.98 0.00 0.00 173.24 173.46 1faf h ARG 7 N -1.59 0.25 0.00 4.02 2.43 -1.99 0.76 114.38 118.26 1faf h ARG 7 Ca -0.47 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1faf h ARG 7 Cb 1.30 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1faf h ARG 7 CO 0.53 0.17 -0.30 0.00 -1.51 0.00 0.00 179.97 178.85 1faf h ALA 8 N 1.57 1.11 0.00 2.80 0.00 -1.97 -0.80 119.26 121.98 1faf h ALA 8 Ca 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1faf h ALA 8 Cb 1.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1faf h ALA 8 CO -0.16 0.38 -0.23 -0.44 0.00 0.00 0.00 179.25 178.80 1faf h ASP 9 N 0.00 0.00 -0.98 0.00 5.19 0.19 -2.36 116.42 118.46 1faf h ASP 9 Ca -0.00 -0.40 0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1faf h ASP 9 Cb 0.73 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.19 1faf h ASP 9 CO 0.04 0.83 0.65 0.07 -3.12 0.00 0.00 179.24 177.70 1faf h LYS 10 N -1.00 1.27 -0.05 3.56 2.10 -1.35 0.33 116.57 121.43 1faf h LYS 10 Ca -0.04 -0.08 -0.10 0.00 -2.00 0.00 0.00 60.65 58.43 1faf h LYS 10 Cb 0.57 -0.29 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1faf h LYS 10 CO -0.03 0.84 -0.43 1.49 -2.00 0.00 0.00 179.45 179.32 1faf h GLU 11 N 1.31 0.12 -0.08 0.07 4.57 -1.29 -2.19 114.58 117.08 1faf h GLU 11 Ca 0.36 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 58.28 1faf h GLU 11 Cb -0.13 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1faf h GLU 11 CO -0.09 0.53 -0.79 -0.09 -1.18 0.00 0.00 179.01 177.39 1faf h ARG 12 N 0.10 0.53 -0.65 1.92 2.43 -0.61 -2.77 114.38 115.34 1faf h ARG 12 Ca 0.01 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1faf h ARG 12 Cb 0.81 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1faf h ARG 12 CO 0.06 1.09 0.23 1.25 -1.51 0.00 0.00 179.97 181.09 1faf h LEU 13 N 0.35 0.89 -0.17 3.80 5.85 -0.13 -2.64 115.31 123.27 1faf h LEU 13 Ca -0.05 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1faf h LEU 13 Cb 1.40 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1faf h LEU 13 CO 0.15 0.82 0.06 -0.07 -0.34 0.00 0.00 178.44 179.05 1faf h LEU 14 N 0.94 0.24 -2.53 2.25 3.38 -1.33 0.07 115.31 118.34 1faf h LEU 14 Ca 0.22 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1faf h LEU 14 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1faf h LEU 14 CO -0.01 0.37 0.07 -0.08 0.09 0.00 0.00 178.44 178.87 1faf h GLU 15 N 0.11 0.00 0.01 1.13 4.81 -1.23 -0.78 114.58 118.62 1faf h GLU 15 Ca 0.06 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 1faf h GLU 15 Cb 0.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1faf h GLU 15 CO -0.00 0.00 -1.70 -0.07 -0.73 0.00 0.00 179.01 176.51 1faf h LEU 16 N 0.00 0.02 -0.53 1.64 3.38 -1.07 -3.33 115.31 115.42 1faf h LEU 16 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1faf h LEU 16 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1faf h LEU 16 CO -0.00 1.04 -0.01 0.18 0.09 0.00 0.00 178.44 179.74 1faf n LEU 17 N -3.07 0.83 -1.25 1.67 4.32 -0.04 -4.84 117.00 114.61 1faf n LEU 17 Ca -0.17 -0.27 -0.13 0.00 -0.02 0.00 0.00 56.01 55.42 1faf n LEU 17 Cb 1.05 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.79 1faf n LEU 17 CO 0.45 0.14 -0.12 0.29 -1.22 0.00 0.00 177.39 176.93 1faf n LYS 18 N -0.36 -1.39 -3.61 3.23 4.01 -0.47 -4.69 118.16 114.88 1faf n LYS 18 Ca 0.21 0.78 -0.40 0.00 -0.51 0.00 0.00 58.31 58.38 1faf n LYS 18 Cb 0.25 -4.99 -0.11 0.00 -0.51 0.00 0.00 35.03 29.66 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 -3.44 4.64 1.13 -0.35 0.20 -1.17 -5.07 118.68 114.63 1faf s LEU 19 Ca 0.00 -0.95 -0.17 0.00 0.69 0.00 0.00 54.13 53.71 1faf s LEU 19 Cb 0.00 -2.02 0.21 0.00 -0.43 0.00 0.00 46.19 43.95 1faf s LEU 19 CO 0.00 -0.36 0.39 -2.65 -0.29 0.00 0.00 176.35 173.44 1faf n PRO 20 N 4.99 -2.67 0.11 0.98 -0.02 -1.26 -4.73 135.00 132.39 1faf n PRO 20 Ca -0.12 -0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 60.57 1faf n PRO 20 Cb 0.46 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1faf n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1faf h ARG 21 N -2.75 0.00 0.00 -0.52 3.08 -1.98 -3.26 114.38 108.95 1faf h ARG 21 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1faf h ARG 21 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1faf h ARG 21 CO 0.23 0.64 0.00 0.94 -1.07 0.00 0.00 179.97 180.71 1faf n GLN 22 N -3.24 0.05 -0.32 0.04 -0.06 -1.26 -1.21 117.38 111.38 1faf n GLN 22 Ca 0.00 0.52 0.06 0.00 -2.00 0.00 0.00 57.00 55.58 1faf n GLN 22 Cb 0.81 -1.66 0.08 0.00 -4.06 0.00 0.00 30.24 25.41 1faf n GLN 22 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1faf n LEU 23 N -1.77 1.39 0.26 1.69 -0.00 -1.23 -4.80 117.00 112.55 1faf n LEU 23 Ca -0.00 -2.27 0.12 0.00 -0.00 0.00 0.00 56.01 53.86 1faf n LEU 23 Cb 0.03 -0.25 0.64 0.00 -0.00 0.00 0.00 43.42 43.85 1faf n LEU 23 CO 0.05 0.56 0.99 -0.25 -0.00 0.00 0.00 177.39 178.74 1faf h TRP 24 N 0.09 0.00 0.00 1.47 -0.00 -1.23 0.35 115.95 116.64 1faf h TRP 24 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1faf h TRP 24 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 1faf h TRP 24 CO 0.09 0.00 -1.91 0.41 -0.00 0.00 0.00 178.44 177.02 1faf n GLY 25 N -1.25 -0.94 3.56 2.65 0.00 -1.26 -4.84 105.19 103.11 1faf n GLY 25 Ca -0.02 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.33 4.37 0.22 1.61 -1.08 0.12 -4.78 116.67 112.80 1faf s ASP 26 Ca -0.07 -0.24 -0.09 0.00 -0.52 0.00 0.00 52.55 51.63 1faf s ASP 26 Cb 0.13 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.25 1faf s ASP 26 CO 0.86 -3.45 1.88 0.15 0.52 0.00 0.00 175.17 175.13 1faf h PHE 27 N 12.13 0.99 -0.15 -5.34 3.57 -1.88 -1.38 116.94 124.87 1faf h PHE 27 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1faf h PHE 27 Cb 1.00 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1faf h PHE 27 CO 1.18 0.59 -0.12 0.78 -2.23 0.00 0.00 178.31 178.52 1faf h GLY 28 N 1.05 0.25 0.61 2.40 0.00 -1.97 -1.20 103.07 104.21 1faf h GLY 28 Ca 0.31 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 1faf h GLY 28 CO -0.09 0.14 -0.51 -0.09 0.00 0.00 0.00 176.54 175.99 1faf h ARG 29 N 0.22 0.28 -0.51 4.80 2.43 -1.78 -2.91 114.38 116.91 1faf h ARG 29 Ca 0.05 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 1faf h ARG 29 Cb 0.35 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1faf h ARG 29 CO 0.02 1.08 0.18 0.00 -1.51 0.00 0.00 179.97 179.74 1faf h MET 30 N -0.35 0.79 -0.70 0.20 -0.00 -1.18 -1.48 114.93 112.20 1faf h MET 30 Ca -0.07 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.70 59.45 1faf h MET 30 Cb 1.29 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.74 1faf h MET 30 CO 0.10 0.71 0.35 0.37 -0.00 0.00 0.00 176.91 178.44 1faf h GLN 31 N 0.70 0.98 -0.35 -0.10 4.15 -1.33 1.00 115.11 120.16 1faf h GLN 31 Ca 0.17 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1faf h GLN 31 Cb 0.24 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1faf h GLN 31 CO -0.01 0.75 -0.16 0.37 -1.93 0.00 0.00 178.83 177.84 1faf h GLN 32 N 0.98 0.65 0.06 1.69 4.15 -1.26 -2.08 115.11 119.30 1faf h GLN 32 Ca 0.24 -0.22 -0.25 0.00 0.77 0.00 0.00 58.65 59.19 1faf h GLN 32 Cb 0.08 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1faf h GLN 32 CO -0.03 0.78 -1.19 0.00 -1.93 0.00 0.00 178.83 176.46 1faf h ALA 33 N 1.24 0.28 -0.33 3.38 0.00 -0.44 -2.85 119.26 120.54 1faf h ALA 33 Ca 0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1faf h ALA 33 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1faf h ALA 33 CO 0.04 1.17 0.19 -0.92 0.00 0.00 0.00 179.25 179.72 1faf h TYR 34 N 0.03 0.45 -0.46 0.00 5.03 0.12 0.44 116.97 122.59 1faf h TYR 34 Ca -0.10 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.07 1faf h TYR 34 Cb 1.88 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 40.00 1faf h TYR 34 CO 0.03 0.36 -0.26 -0.22 -1.32 0.00 0.00 178.16 176.75 1faf h LYS 35 N 0.42 0.99 -0.18 1.82 3.64 -1.48 0.39 116.57 122.18 1faf h LYS 35 Ca 0.12 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.96 1faf h LYS 35 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1faf h LYS 35 CO -0.02 1.12 -0.27 0.37 -2.27 0.00 0.00 179.45 178.38 1faf h GLN 36 N 0.84 0.34 0.00 1.90 4.15 -1.24 -2.75 115.11 118.35 1faf h GLN 36 Ca 0.10 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1faf h GLN 36 Cb 0.84 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1faf h GLN 36 CO 0.07 0.59 -0.87 1.96 -1.93 0.00 0.00 178.83 178.65 1faf h GLN 37 N 0.30 0.00 0.00 1.69 1.08 0.08 -3.29 115.11 114.97 1faf h GLN 37 Ca 0.04 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1faf h GLN 37 Cb 0.64 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1faf h GLN 37 CO 0.05 0.20 -0.37 0.77 -0.95 0.00 0.00 178.83 178.53 1faf h SER 38 N 0.00 0.00 0.03 1.46 0.02 0.07 -1.71 113.55 113.43 1faf h SER 38 Ca -0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1faf h SER 38 Cb 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 1faf h SER 38 CO 0.03 0.37 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.53 1faf h LEU 39 N 0.00 0.37 0.00 5.07 3.38 -1.59 -3.24 115.31 119.30 1faf h LEU 39 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1faf h LEU 39 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1faf h LEU 39 CO 0.05 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.74 1faf n LEU 40 N -4.33 0.00 -0.84 1.67 -0.00 -1.19 -2.48 117.00 109.83 1faf n LEU 40 Ca -0.11 0.44 0.12 0.00 -0.00 0.00 0.00 56.01 56.46 1faf n LEU 40 Cb 0.64 -0.44 0.28 0.00 -0.00 0.00 0.00 43.42 43.90 1faf n LEU 40 CO 0.44 -0.10 0.73 0.18 -0.00 0.00 0.00 177.39 178.63 1faf n LEU 41 N -1.44 2.55 -4.82 1.47 4.77 -0.65 -3.60 117.00 115.29 1faf n LEU 41 Ca 0.07 -1.02 -0.38 0.00 -0.03 0.00 0.00 56.01 54.64 1faf n LEU 41 Cb 0.24 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1faf n LEU 41 CO 0.20 0.51 0.24 -2.28 -1.33 0.00 0.00 177.39 174.73 1faf s HIS 42 N -1.74 3.79 0.60 -1.77 2.46 -1.03 -3.52 115.29 114.07 1faf s HIS 42 Ca 0.35 1.21 0.29 0.00 0.47 0.00 0.00 55.06 57.38 1faf s HIS 42 Cb 0.20 -2.45 1.22 0.00 -0.13 0.00 0.00 32.58 31.42 1faf s HIS 42 CO 0.30 0.59 1.58 -1.35 -2.47 0.00 0.00 174.74 173.39 1faf h PRO 43 N 4.53 0.00 0.00 2.88 0.11 -1.85 0.69 132.00 138.37 1faf h PRO 43 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 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 0.63 0.00 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.39 1faf h ASP 44 N 0.00 0.00 -0.58 -2.05 5.19 -1.91 -3.30 116.42 113.78 1faf h ASP 44 Ca 0.40 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.50 1faf h ASP 44 Cb 2.23 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.55 1faf h ASP 44 CO -0.00 0.29 0.15 0.29 -3.12 0.00 0.00 179.24 176.85 1faf n LYS 45 N -3.04 2.01 -2.78 3.56 4.01 0.23 -4.92 118.16 117.23 1faf n LYS 45 Ca 0.00 -3.16 -0.10 0.00 -0.51 0.00 0.00 58.31 54.54 1faf n LYS 45 Cb 0.66 -1.95 0.05 0.00 -0.51 0.00 0.00 35.03 33.28 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 -0.10 3.35 0.72 0.00 -1.08 -4.65 105.19 102.30 1faf n GLY 46 Ca 0.43 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.68 1.46 0.27 -0.02 0.00 -0.67 -4.80 107.32 99.89 1faf s GLY 47 Ca 0.06 -1.69 -0.09 0.00 0.00 0.00 0.00 44.72 43.00 1faf s GLY 47 CO 0.44 -1.74 0.59 -0.56 0.00 0.00 0.00 173.10 171.82 1faf s SER 48 N -3.32 6.60 0.02 1.64 0.01 -1.23 -3.57 113.70 113.84 1faf s SER 48 Ca 0.23 0.94 -0.22 0.00 1.31 0.00 0.00 55.95 58.21 1faf s SER 48 Cb 0.01 -2.23 -0.17 0.00 0.21 0.00 0.00 66.02 63.84 1faf s SER 48 CO 0.07 -0.14 1.28 -0.74 0.41 0.00 0.00 173.24 174.12 1faf h HIS 49 N 2.22 0.33 -0.35 2.43 2.76 -1.98 -2.32 115.15 118.25 1faf h HIS 49 Ca -0.47 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 57.52 1faf h HIS 49 Cb 1.18 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 1faf h HIS 49 CO 0.61 0.74 -0.08 0.00 -1.30 0.00 0.00 177.93 177.89 1faf h ALA 50 N 0.54 1.21 0.21 5.26 0.00 -1.95 -2.85 119.26 121.67 1faf h ALA 50 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1faf h ALA 50 Cb 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1faf h ALA 50 CO 0.03 0.51 -0.10 -0.07 0.00 0.00 0.00 179.25 179.63 1faf h LEU 51 N 0.54 -0.23 -0.66 0.00 3.38 -1.91 0.15 115.31 116.58 1faf h LEU 51 Ca 0.10 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 57.98 1faf h LEU 51 Cb 0.48 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 1faf h LEU 51 CO 0.03 0.10 0.21 -0.03 0.09 0.00 0.00 178.44 178.83 1faf h MET 52 N -0.59 0.34 -0.01 1.13 4.05 -1.38 0.35 114.93 118.82 1faf h MET 52 Ca -0.03 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.23 1faf h MET 52 Cb 0.43 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1faf h MET 52 CO 0.05 0.23 -0.68 -0.56 0.23 0.00 0.00 176.91 176.18 1faf h GLN 53 N 0.35 0.04 -0.29 0.39 3.07 -1.49 -2.98 115.11 114.20 1faf h GLN 53 Ca 0.35 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 59.02 1faf h GLN 53 Cb 0.52 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1faf h GLN 53 CO -0.39 0.70 0.02 1.49 0.09 0.00 0.00 178.83 180.74 1faf h GLU 54 N 0.03 0.43 -0.15 0.06 4.81 0.13 -1.14 114.58 118.76 1faf h GLU 54 Ca -0.01 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1faf h GLU 54 Cb 1.20 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1faf h GLU 54 CO 0.09 0.44 -0.13 1.25 -0.73 0.00 0.00 179.01 179.94 1faf h LEU 55 N 0.42 0.37 -1.34 1.64 5.85 -1.01 -0.72 115.31 120.52 1faf h LEU 55 Ca 0.10 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1faf h LEU 55 Cb 0.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1faf h LEU 55 CO 0.00 0.76 0.06 0.78 -0.34 0.00 0.00 178.44 179.70 1faf h ASN 56 N -0.02 0.46 0.48 1.25 2.35 -1.39 0.92 115.58 119.64 1faf h ASN 56 Ca 0.03 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.52 1faf h ASN 56 Cb 0.64 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1faf h ASN 56 CO 0.03 0.49 -0.81 0.28 -1.65 0.00 0.00 177.43 175.77 1faf h SER 57 N 0.49 0.31 0.87 5.81 0.02 -1.13 -0.97 113.55 118.95 1faf h SER 57 Ca 0.11 -0.23 -0.23 0.00 -0.84 0.00 0.00 61.79 60.61 1faf h SER 57 Cb 0.23 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1faf h SER 57 CO 0.00 1.00 -1.19 -0.07 -1.14 0.00 0.00 176.83 175.43 1faf h LEU 58 N 0.15 0.00 0.00 5.07 3.38 -0.50 -3.17 115.31 120.24 1faf h LEU 58 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1faf h LEU 58 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1faf h LEU 58 CO 0.13 0.96 -0.21 1.87 0.09 0.00 0.00 178.44 181.28 1faf n TRP 59 N -3.24 0.56 -0.03 1.13 -0.00 0.31 -2.75 117.44 113.42 1faf n TRP 59 Ca -0.05 0.16 -0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1faf n TRP 59 Cb 0.96 -0.71 -0.00 0.00 -0.00 0.00 0.00 31.31 31.55 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 4.66 0.00 0.35 5.87 0.00 -1.18 -2.36 103.07 110.41 1faf h GLY 60 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1faf h GLY 60 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 1faf h THR 61 N -0.61 0.65 -0.75 4.70 1.03 -1.70 0.84 112.91 117.07 1faf h THR 61 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.55 1faf h THR 61 Cb 0.02 0.65 -0.14 0.00 -1.07 0.00 0.00 68.15 67.61 1faf h THR 61 CO 0.00 0.00 -0.20 0.15 -0.01 0.00 0.00 175.52 175.46 1faf h PHE 62 N -0.03 -0.44 -0.90 0.00 3.57 -1.68 0.57 116.94 118.03 1faf h PHE 62 Ca 0.15 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1faf h PHE 62 Cb 0.26 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1faf h PHE 62 CO -0.31 -0.33 0.59 -0.22 -2.23 0.00 0.00 178.31 175.82 1faf h LYS 63 N -0.01 1.11 -1.07 1.11 3.64 -0.34 -0.43 116.57 120.58 1faf h LYS 63 Ca 0.36 -0.07 0.30 0.00 -1.27 0.00 0.00 60.65 59.97 1faf h LYS 63 Cb 0.55 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.01 1faf h LYS 63 CO -0.78 0.73 0.67 1.15 -2.27 0.00 0.00 179.45 178.95 1faf h THR 64 N 1.14 0.41 0.04 1.00 2.02 0.18 1.03 112.91 118.74 1faf h THR 64 Ca 0.36 -0.13 -0.28 0.00 0.77 0.00 0.00 66.41 67.14 1faf h THR 64 Cb 0.01 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 1faf h THR 64 CO -0.11 0.07 -1.47 -0.33 0.37 0.00 0.00 175.52 174.05 1faf h GLU 65 N 0.36 0.09 -0.30 6.66 4.39 -1.12 -3.36 114.58 121.31 1faf h GLU 65 Ca 0.67 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 60.27 1faf h GLU 65 Cb 1.67 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.33 1faf h GLU 65 CO -0.41 0.86 0.03 0.28 -1.16 0.00 0.00 179.01 178.61 1faf h VAL 66 N 0.02 0.82 -0.54 3.13 2.07 0.25 1.00 116.25 123.01 1faf h VAL 66 Ca -0.20 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1faf h VAL 66 Cb 1.95 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 1faf h VAL 66 CO 0.12 0.02 0.38 1.88 0.02 0.00 0.00 177.57 179.99 1faf h TYR 67 N 0.13 0.12 0.00 1.57 0.05 -0.94 -0.04 116.97 117.85 1faf h TYR 67 Ca 0.14 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 1faf h TYR 67 Cb 0.17 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1faf h TYR 67 CO -0.19 0.05 -1.35 0.09 -1.05 0.00 0.00 178.16 175.70 1faf n ASN 68 N -4.41 0.77 0.23 3.88 3.02 -0.13 -3.97 115.26 114.64 1faf n ASN 68 Ca 0.10 0.32 0.16 0.00 -0.03 0.00 0.00 54.58 55.13 1faf n ASN 68 Cb 0.54 0.41 0.74 0.00 -0.61 0.00 0.00 39.78 40.86 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 0.00 0.00 3.41 8.10 0.29 -1.53 115.31 125.58 1faf h LEU 69 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1faf h LEU 69 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.59 1faf h LEU 69 CO 0.03 0.00 0.00 0.54 -4.11 0.00 0.00 178.44 174.90 1faf n ARG 70 N -2.66 0.85 -0.06 0.17 1.74 -1.15 -2.98 116.66 112.57 1faf n ARG 70 Ca -0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1faf n ARG 70 Cb 0.16 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.78 -2.42 5.56 2.81 -0.58 -4.92 117.12 118.39 1faf n MET 71 Ca 0.19 0.01 -0.43 0.00 -1.81 0.00 0.00 57.70 55.65 1faf n MET 71 Cb 0.09 -1.32 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 -4.65 6.43 -0.70 7.83 -0.87 -1.16 -4.95 114.94 116.88 1faf s ASN 72 Ca -0.08 0.76 0.05 0.00 -1.57 0.00 0.00 52.86 52.02 1faf s ASN 72 Cb 0.04 -2.54 0.18 0.00 -0.02 0.00 0.00 41.25 38.91 1faf s ASN 72 CO 0.49 -1.36 0.54 -0.11 -2.57 0.00 0.00 177.10 174.08 1faf n LEU 73 N 8.49 3.17 -4.44 0.60 7.94 -1.26 -5.00 117.00 126.49 1faf n LEU 73 Ca 0.15 -5.26 -0.44 0.00 -1.11 0.00 0.00 56.01 49.36 1faf n LEU 73 Cb 0.48 -0.75 -0.08 0.00 0.53 0.00 0.00 43.42 43.60 1faf n LEU 73 CO 0.70 1.81 0.09 -0.83 -1.11 0.00 0.00 177.39 178.04 1faf s GLY 74 N -1.65 1.94 0.00 -3.96 0.00 -1.26 -5.06 107.32 97.34 1faf s GLY 74 Ca 0.27 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1faf s GLY 74 CO -0.14 1.13 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1faf n GLY 75 N 5.16 -0.46 3.73 0.20 0.00 -1.26 -4.97 105.19 107.59 1faf n GLY 75 Ca -0.09 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1faf n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1faf s THR 76 N 0.00 2.33 0.11 2.61 -1.32 -1.26 -4.98 115.64 113.12 1faf s THR 76 Ca 0.00 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1faf s THR 76 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1faf s THR 76 CO 0.00 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1faf n GLY 77 N 0.51 -0.06 3.60 6.08 0.00 -1.26 -5.02 105.19 109.05 1faf n GLY 77 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.84 3.19 0.00 1.61 0.08 -1.26 -5.33 117.98 114.42 1faf s PHE 78 Ca 0.00 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.69 1faf s PHE 78 Cb 0.00 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1faf s PHE 78 CO 0.00 -0.56 0.00 1.04 -0.10 0.00 0.00 175.22 175.60