#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 -2.74 -4.30 7.83 9.92 -1.26 -4.93 116.55 121.07 1faf n ASP 2 Ca 0.00 -0.54 -0.44 0.00 -0.53 0.00 0.00 54.79 53.28 1faf n ASP 2 Cb 0.00 -0.50 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 1faf n ASP 2 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1faf s ARG 3 N -4.10 4.03 -0.04 -1.24 0.52 -1.26 -4.98 118.95 111.87 1faf s ARG 3 Ca 0.34 -3.19 -0.01 0.00 -0.52 0.00 0.00 55.73 52.35 1faf s ARG 3 Cb -0.05 -4.46 0.03 0.00 0.52 0.00 0.00 34.95 30.99 1faf s ARG 3 CO 0.28 -1.25 0.02 0.14 0.02 0.00 0.00 175.30 174.52 1faf s VAL 4 N -1.21 0.13 0.07 3.52 -7.23 -1.26 -4.87 120.40 109.55 1faf s VAL 4 Ca 0.30 0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 60.47 1faf s VAL 4 Cb -0.10 -0.29 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 1faf s VAL 4 CO -0.09 0.18 0.62 -1.48 -0.31 0.00 0.00 175.10 174.03 1faf s LEU 5 N 1.64 4.51 1.04 1.32 2.34 -1.26 -5.08 118.68 123.19 1faf s LEU 5 Ca -0.01 1.32 -0.17 0.00 0.06 0.00 0.00 54.13 55.32 1faf s LEU 5 Cb -0.13 -2.99 0.23 0.00 -0.56 0.00 0.00 46.19 42.75 1faf s LEU 5 CO -0.03 0.21 1.27 -0.94 -1.06 0.00 0.00 176.35 175.80 1faf s SER 6 N -0.85 2.39 0.45 1.48 1.04 -1.26 -4.74 113.70 112.21 1faf s SER 6 Ca 0.31 0.33 0.16 0.00 0.48 0.00 0.00 55.95 57.23 1faf s SER 6 Cb -0.20 -0.40 1.10 0.00 0.10 0.00 0.00 66.02 66.62 1faf s SER 6 CO 0.20 -3.19 1.99 -0.09 0.98 0.00 0.00 173.24 173.13 1faf h ARG 7 N -1.95 0.31 -0.29 4.02 2.43 -1.99 -0.41 114.38 116.50 1faf h ARG 7 Ca -0.44 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 1faf h ARG 7 Cb 1.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1faf h ARG 7 CO 0.35 0.21 -0.40 0.00 -1.51 0.00 0.00 179.97 178.62 1faf h ALA 8 N 1.72 0.76 0.76 2.80 0.00 -1.96 -0.93 119.26 122.41 1faf h ALA 8 Ca 0.26 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1faf h ALA 8 Cb 0.60 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1faf h ALA 8 CO -0.06 0.66 -0.36 -0.44 0.00 0.00 0.00 179.25 179.04 1faf h ASP 9 N 0.56 -0.86 -0.84 0.00 5.19 -1.41 0.60 116.42 119.66 1faf h ASP 9 Ca 0.05 0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.55 1faf h ASP 9 Cb 0.93 0.22 -0.05 0.00 0.18 0.00 0.00 39.33 40.61 1faf h ASP 9 CO 0.08 -0.50 0.55 0.07 -3.12 0.00 0.00 179.24 176.32 1faf h LYS 10 N -1.25 0.91 0.00 3.56 2.10 -1.52 0.91 116.57 121.28 1faf h LYS 10 Ca -0.10 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.43 1faf h LYS 10 Cb 0.78 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1faf h LYS 10 CO 0.17 0.60 -0.30 1.49 -2.00 0.00 0.00 179.45 179.41 1faf h GLU 11 N 0.94 0.00 0.01 0.07 4.57 -1.08 -2.25 114.58 116.84 1faf h GLU 11 Ca 0.36 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.29 1faf h GLU 11 Cb 0.21 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1faf h GLU 11 CO -0.13 0.30 -1.31 -0.09 -1.18 0.00 0.00 179.01 176.60 1faf h ARG 12 N 0.00 0.02 -0.14 1.92 2.43 0.42 -3.22 114.38 115.82 1faf h ARG 12 Ca -0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1faf h ARG 12 Cb 0.68 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1faf h ARG 12 CO 0.04 0.82 -0.31 1.25 -1.51 0.00 0.00 179.97 180.26 1faf h LEU 13 N 0.01 0.27 -0.36 3.80 5.85 0.10 -2.86 115.31 122.12 1faf h LEU 13 Ca -0.13 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 1faf h LEU 13 Cb 1.88 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 1faf h LEU 13 CO 0.11 0.58 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.39 1faf h LEU 14 N 0.24 0.92 -0.48 2.25 3.38 -1.48 -1.44 115.31 118.69 1faf h LEU 14 Ca 0.03 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1faf h LEU 14 Cb 0.67 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1faf h LEU 14 CO 0.05 1.19 0.12 -0.08 0.09 0.00 0.00 178.44 179.81 1faf h GLU 15 N 0.66 0.26 0.00 1.13 4.81 -1.51 0.10 114.58 120.03 1faf h GLU 15 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1faf h GLU 15 Cb 0.91 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1faf h GLU 15 CO 0.08 0.17 0.00 -0.07 -0.73 0.00 0.00 179.01 178.47 1faf h LEU 16 N 0.27 0.00 -0.35 1.64 3.38 -1.51 -3.06 115.31 115.68 1faf h LEU 16 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1faf h LEU 16 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1faf h LEU 16 CO -0.29 0.00 -0.34 0.18 0.09 0.00 0.00 178.44 178.08 1faf n LEU 17 N -2.40 0.88 -1.42 1.67 7.99 0.06 -4.81 117.00 118.98 1faf n LEU 17 Ca 0.05 -0.20 -0.14 0.00 -0.01 0.00 0.00 56.01 55.71 1faf n LEU 17 Cb 0.41 -0.16 -0.06 0.00 -0.11 0.00 0.00 43.42 43.51 1faf n LEU 17 CO 0.29 0.18 -0.13 0.29 -1.51 0.00 0.00 177.39 176.51 1faf n LYS 18 N -0.91 -1.32 -3.83 3.23 5.02 0.14 -4.70 118.16 115.80 1faf n LYS 18 Ca 0.10 0.83 -0.36 0.00 -2.02 0.00 0.00 58.31 56.85 1faf n LYS 18 Cb 0.35 -5.09 -0.13 0.00 -0.02 0.00 0.00 35.03 30.13 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1faf s LEU 19 N -3.88 4.10 1.10 -0.35 0.20 -1.13 -5.07 118.68 113.64 1faf s LEU 19 Ca 0.00 -1.20 -0.21 0.00 0.69 0.00 0.00 54.13 53.41 1faf s LEU 19 Cb 0.00 -1.79 0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1faf s LEU 19 CO 0.00 -0.29 -0.33 -2.65 -0.29 0.00 0.00 176.35 172.79 1faf n PRO 20 N 4.72 -1.31 0.00 0.98 -0.02 -1.26 -4.71 135.00 133.40 1faf n PRO 20 Ca -0.13 -0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.10 1faf n PRO 20 Cb 0.44 -1.55 0.29 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.13 0.18 -0.01 -0.52 1.74 -1.26 -3.83 116.66 111.82 1faf n ARG 21 Ca -0.00 -0.10 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 1faf n ARG 21 Cb 0.65 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.24 0.59 -0.69 5.56 5.75 -2.05 -2.93 115.11 121.58 1faf h GLN 22 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1faf h GLN 22 Cb 0.50 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1faf h GLN 22 CO 0.00 0.93 0.00 1.47 -2.65 0.00 0.00 178.83 178.58 1faf n LEU 23 N -4.00 4.24 -4.53 -2.39 -0.00 -1.25 -4.93 117.00 104.13 1faf n LEU 23 Ca -0.02 -2.17 -0.22 0.00 -0.00 0.00 0.00 56.01 53.59 1faf n LEU 23 Cb 0.56 -0.52 -0.12 0.00 -0.00 0.00 0.00 43.42 43.34 1faf n LEU 23 CO 0.46 0.92 1.71 1.87 -0.00 0.00 0.00 177.39 182.35 1faf n TRP 24 N 1.41 0.78 0.00 1.47 -0.00 -1.11 -2.20 117.44 117.79 1faf n TRP 24 Ca 0.25 0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1faf n TRP 24 Cb 0.72 -1.95 0.00 0.00 -0.00 0.00 0.00 31.31 30.08 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 6.26 0.34 3.56 5.87 0.00 -1.26 -5.08 105.19 114.88 1faf n GLY 25 Ca 0.54 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 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 6.09 0.27 1.61 2.15 -0.94 -4.84 116.67 121.02 1faf s ASP 26 Ca 0.00 -1.42 -0.03 0.00 0.43 0.00 0.00 52.55 51.53 1faf s ASP 26 Cb 0.00 -2.57 0.56 0.00 -0.30 0.00 0.00 42.92 40.61 1faf s ASP 26 CO 0.00 -1.89 1.62 0.15 -0.17 0.00 0.00 175.17 174.87 1faf h PHE 27 N 9.84 -0.01 -0.60 -5.34 3.57 -1.97 0.37 116.94 122.80 1faf h PHE 27 Ca 0.21 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1faf h PHE 27 Cb 0.98 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1faf h PHE 27 CO 1.28 -0.29 0.40 0.78 -2.23 0.00 0.00 178.31 178.25 1faf h GLY 28 N 0.09 0.68 0.23 2.40 0.00 -1.99 0.48 103.07 104.97 1faf h GLY 28 Ca 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1faf h GLY 28 CO -0.74 0.15 -0.06 -0.09 0.00 0.00 0.00 176.54 175.80 1faf h ARG 29 N 0.53 -0.16 -0.46 4.80 1.12 -0.70 -2.80 114.38 116.70 1faf h ARG 29 Ca 0.26 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.20 1faf h ARG 29 Cb 0.36 0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.31 1faf h ARG 29 CO -0.08 0.25 0.19 0.00 -3.11 0.00 0.00 179.97 177.21 1faf h MET 30 N -0.94 0.36 -0.46 0.20 -0.00 -1.16 -1.18 114.93 111.76 1faf h MET 30 Ca -0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.67 1faf h MET 30 Cb 0.48 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.98 1faf h MET 30 CO 0.03 0.24 0.30 0.37 -0.00 0.00 0.00 176.91 177.85 1faf h GLN 31 N 0.37 0.59 -0.79 -0.10 4.15 -1.03 0.51 115.11 118.82 1faf h GLN 31 Ca 0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1faf h GLN 31 Cb 0.19 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1faf h GLN 31 CO -0.20 0.39 0.50 0.37 -1.93 0.00 0.00 178.83 177.96 1faf h GLN 32 N 0.61 1.06 -0.02 1.69 4.15 -0.94 -2.26 115.11 119.40 1faf h GLN 32 Ca 0.17 -0.08 -0.22 0.00 0.77 0.00 0.00 58.65 59.29 1faf h GLN 32 Cb -0.06 -0.23 0.02 0.00 0.21 0.00 0.00 27.48 27.42 1faf h GLN 32 CO -0.04 0.73 -0.84 0.00 -1.93 0.00 0.00 178.83 176.75 1faf h ALA 33 N 1.27 0.13 -0.60 3.38 0.00 -0.97 -2.76 119.26 119.70 1faf h ALA 33 Ca 0.29 -0.63 0.12 0.00 0.00 0.00 0.00 54.91 54.69 1faf h ALA 33 Cb -0.08 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1faf h ALA 33 CO -0.06 0.55 -0.04 -0.92 0.00 0.00 0.00 179.25 178.79 1faf h TYR 34 N 0.22 -0.11 -0.13 0.00 5.03 -0.68 0.49 116.97 121.79 1faf h TYR 34 Ca -0.10 0.05 -0.11 0.00 2.58 0.00 0.00 58.73 61.14 1faf h TYR 34 Cb 1.51 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 39.92 1faf h TYR 34 CO 0.12 -0.18 -0.42 0.87 -1.32 0.00 0.00 178.16 177.22 1faf h LYS 35 N 0.08 0.29 0.12 1.82 1.79 -1.48 0.34 116.57 119.54 1faf h LYS 35 Ca 0.31 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1faf h LYS 35 Cb 0.49 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1faf h LYS 35 CO -0.54 0.67 -0.06 1.96 -1.08 0.00 0.00 179.45 180.40 1faf h GLN 36 N 0.24 -0.15 0.00 3.15 4.20 -0.40 -3.03 115.11 119.12 1faf h GLN 36 Ca 0.02 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1faf h GLN 36 Cb 0.85 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1faf h GLN 36 CO 0.07 0.17 -0.01 1.96 -0.67 0.00 0.00 178.83 180.35 1faf h GLN 37 N -0.48 0.00 0.00 1.46 7.50 -0.16 -2.99 115.11 120.44 1faf h GLN 37 Ca -0.02 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 1faf h GLN 37 Cb 0.39 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 1faf h GLN 37 CO 0.03 0.01 -0.26 0.77 -1.50 0.00 0.00 178.83 177.88 1faf h SER 38 N 0.00 0.00 0.86 1.46 0.02 -0.82 0.61 113.55 115.68 1faf h SER 38 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1faf h SER 38 Cb 0.75 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1faf h SER 38 CO 0.00 0.26 -0.92 -0.07 -1.14 0.00 0.00 176.83 174.96 1faf h LEU 39 N 0.00 0.04 0.00 5.07 3.38 -1.41 -3.15 115.31 119.24 1faf h LEU 39 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1faf h LEU 39 Cb 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1faf h LEU 39 CO 0.03 0.93 -0.83 0.17 0.09 0.00 0.00 178.44 178.84 1faf h LEU 40 N 0.01 0.00 -2.47 1.67 8.10 -1.54 -3.28 115.31 117.80 1faf h LEU 40 Ca -0.02 -0.14 0.00 0.00 0.11 0.00 0.00 57.88 57.83 1faf h LEU 40 Cb 1.61 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.83 1faf h LEU 40 CO 0.12 0.07 0.00 0.18 -4.11 0.00 0.00 178.44 174.70 1faf n LEU 41 N -2.34 3.75 -4.78 0.17 4.77 0.17 -4.37 117.00 114.36 1faf n LEU 41 Ca 0.02 -1.89 -0.39 0.00 -0.03 0.00 0.00 56.01 53.72 1faf n LEU 41 Cb 0.49 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1faf n LEU 41 CO 0.38 0.64 0.38 -2.28 -1.33 0.00 0.00 177.39 175.18 1faf s HIS 42 N -1.77 3.79 -1.03 -1.77 2.46 -1.19 -4.17 115.29 111.61 1faf s HIS 42 Ca 0.39 1.40 0.04 0.00 0.47 0.00 0.00 55.06 57.36 1faf s HIS 42 Cb 0.25 -2.67 0.17 0.00 -0.13 0.00 0.00 32.58 30.20 1faf s HIS 42 CO 0.19 0.44 1.11 -0.35 -2.47 0.00 0.00 174.74 173.66 1faf n PRO 43 N 2.16 0.00 0.01 2.88 -0.04 -1.26 -1.71 135.00 137.05 1faf n PRO 43 Ca -0.06 0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1faf n PRO 43 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.48 0.87 -1.97 3.54 -0.08 -1.26 -4.01 116.55 112.15 1faf n ASP 44 Ca 0.01 0.39 -0.19 0.00 -1.51 0.00 0.00 54.79 53.49 1faf n ASP 44 Cb 0.04 0.09 0.13 0.00 2.34 0.00 0.00 41.12 43.72 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 -2.94 2.00 -2.59 -0.67 4.76 -0.69 -4.84 118.16 113.19 1faf n LYS 45 Ca -0.12 -2.35 -0.14 0.00 -2.87 0.00 0.00 58.31 52.83 1faf n LYS 45 Cb 0.91 -1.92 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1faf n GLY 46 N -0.73 -0.15 3.79 0.72 0.00 -1.25 -4.92 105.19 102.66 1faf n GLY 46 Ca 0.47 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1faf n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 47 N -1.18 2.20 3.86 -0.02 0.00 -0.81 -5.03 105.19 104.22 1faf n GLY 47 Ca -0.11 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.34 1faf n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1faf s SER 48 N -4.41 6.71 -0.09 1.61 0.01 -1.26 -4.43 113.70 111.84 1faf s SER 48 Ca 0.51 1.01 -0.20 0.00 1.31 0.00 0.00 55.95 58.57 1faf s SER 48 Cb -0.04 -2.26 -0.28 0.00 0.21 0.00 0.00 66.02 63.65 1faf s SER 48 CO 0.32 -0.02 0.69 -0.74 0.41 0.00 0.00 173.24 173.90 1faf h HIS 49 N 2.89 0.40 0.00 2.43 2.76 -1.95 -3.28 115.15 118.41 1faf h HIS 49 Ca -0.48 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 1faf h HIS 49 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1faf h HIS 49 CO 0.63 1.39 0.00 0.00 -1.30 0.00 0.00 177.93 178.64 1faf h ALA 50 N -0.03 1.00 0.00 5.26 0.00 -1.95 -3.04 119.26 120.51 1faf h ALA 50 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1faf h ALA 50 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1faf h ALA 50 CO 0.07 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1faf h LEU 51 N 0.00 0.08 -0.48 0.00 3.38 -1.91 -3.07 115.31 113.31 1faf h LEU 51 Ca 0.00 -0.81 0.10 0.00 0.09 0.00 0.00 57.88 57.26 1faf h LEU 51 Cb 0.32 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1faf h LEU 51 CO 0.00 0.88 -0.10 -0.03 0.09 0.00 0.00 178.44 179.28 1faf h MET 52 N -0.71 0.02 0.00 1.13 4.05 -1.59 0.41 114.93 118.24 1faf h MET 52 Ca -0.01 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1faf h MET 52 Cb 0.89 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1faf h MET 52 CO 0.02 0.01 0.00 -0.56 0.23 0.00 0.00 176.91 176.61 1faf h GLN 53 N 0.02 0.00 0.00 0.39 3.07 -1.67 -1.69 115.11 115.23 1faf h GLN 53 Ca 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.80 1faf h GLN 53 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1faf h GLN 53 CO -0.48 0.00 -0.80 1.49 0.09 0.00 0.00 178.83 179.13 1faf h GLU 54 N 0.00 0.00 0.00 0.06 4.81 -0.10 -2.64 114.58 116.71 1faf h GLU 54 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1faf h GLU 54 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1faf h GLU 54 CO 0.00 0.80 -0.01 1.25 -0.73 0.00 0.00 179.01 180.32 1faf h LEU 55 N 0.00 0.00 -0.52 1.64 5.85 -0.70 -3.06 115.31 118.51 1faf h LEU 55 Ca -0.01 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1faf h LEU 55 Cb 1.43 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 1faf h LEU 55 CO 0.10 0.79 0.30 -0.55 -0.34 0.00 0.00 178.44 178.75 1faf h ASN 56 N -1.00 0.48 0.10 1.25 7.08 -1.60 0.84 115.58 122.73 1faf h ASN 56 Ca -0.00 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.21 1faf h ASN 56 Cb 0.57 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.72 1faf h ASN 56 CO -0.00 0.34 -0.09 -1.28 -2.08 0.00 0.00 177.43 174.31 1faf h SER 57 N 0.60 0.00 0.77 6.14 0.87 -1.63 0.93 113.55 121.23 1faf h SER 57 Ca 0.22 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.59 1faf h SER 57 Cb 0.05 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1faf h SER 57 CO -0.11 0.09 -1.34 -0.07 -0.53 0.00 0.00 176.83 174.87 1faf h LEU 58 N 0.00 0.00 0.00 2.23 3.38 -1.14 -3.23 115.31 116.55 1faf h LEU 58 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1faf h LEU 58 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1faf h LEU 58 CO 0.01 0.69 -0.61 -0.25 0.09 0.00 0.00 178.44 178.37 1faf h TRP 59 N 0.00 0.00 0.04 1.13 2.91 0.15 -3.06 115.95 117.12 1faf h TRP 59 Ca -0.16 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.86 1faf h TRP 59 Cb 1.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 1faf h TRP 59 CO 0.00 0.00 -0.02 0.78 -1.03 0.00 0.00 178.44 178.17 1faf h GLY 60 N 4.45 -0.05 0.49 2.65 0.00 0.78 -1.88 103.07 109.50 1faf h GLY 60 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1faf h GLY 60 CO 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 176.54 176.44 1faf h THR 61 N -0.90 0.72 -0.73 4.70 1.03 -1.73 -0.46 112.91 115.53 1faf h THR 61 Ca -0.00 0.00 0.13 0.00 -0.01 0.00 0.00 66.41 66.53 1faf h THR 61 Cb 0.04 0.72 -0.13 0.00 -1.07 0.00 0.00 68.15 67.70 1faf h THR 61 CO 0.01 0.00 -0.30 0.15 -0.01 0.00 0.00 175.52 175.37 1faf h PHE 62 N -0.04 -0.78 -0.99 0.00 3.57 -1.68 0.58 116.94 117.61 1faf h PHE 62 Ca 0.12 0.08 0.15 0.00 3.53 0.00 0.00 57.97 61.84 1faf h PHE 62 Cb 0.21 0.45 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 1faf h PHE 62 CO -0.26 -0.37 0.62 -0.22 -2.23 0.00 0.00 178.31 175.85 1faf h LYS 63 N -0.08 0.84 -1.05 1.11 3.64 -0.25 0.18 116.57 120.95 1faf h LYS 63 Ca 0.30 -0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.91 1faf h LYS 63 Cb 0.57 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.09 1faf h LYS 63 CO -0.78 0.56 0.66 1.15 -2.27 0.00 0.00 179.45 178.77 1faf h THR 64 N 0.87 0.47 0.02 1.00 2.02 0.12 0.93 112.91 118.33 1faf h THR 64 Ca 0.52 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 67.29 1faf h THR 64 Cb 0.68 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1faf h THR 64 CO -0.30 0.07 -1.44 -0.33 0.37 0.00 0.00 175.52 173.90 1faf h GLU 65 N 0.41 0.05 -0.86 6.66 4.39 -0.68 -3.34 114.58 121.21 1faf h GLU 65 Ca 0.64 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 60.31 1faf h GLU 65 Cb 1.55 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 30.18 1faf h GLU 65 CO -0.38 0.79 0.57 0.28 -1.16 0.00 0.00 179.01 179.10 1faf h VAL 66 N 0.01 1.10 -0.38 3.13 2.07 0.28 0.79 116.25 123.26 1faf h VAL 66 Ca -0.19 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1faf h VAL 66 Cb 1.93 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1faf h VAL 66 CO 0.11 0.19 -0.06 1.88 0.02 0.00 0.00 177.57 179.71 1faf h TYR 67 N 1.03 0.68 0.00 1.57 0.05 -0.86 -2.77 116.97 116.66 1faf h TYR 67 Ca 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1faf h TYR 67 Cb 0.11 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1faf h TYR 67 CO -0.00 0.68 -0.91 0.27 -1.05 0.00 0.00 178.16 177.15 1faf n ASN 68 N -4.22 0.72 0.24 3.88 0.23 -0.60 -4.03 115.26 111.48 1faf n ASN 68 Ca 0.02 0.12 0.09 0.00 -0.53 0.00 0.00 54.58 54.28 1faf n ASN 68 Cb 0.30 0.48 0.66 0.00 -2.08 0.00 0.00 39.78 39.14 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 0.00 0.00 -4.53 8.10 0.87 0.41 115.31 120.16 1faf h LEU 69 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1faf h LEU 69 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.07 1faf h LEU 69 CO 0.00 0.00 0.00 -2.11 -4.11 0.00 0.00 178.44 172.22 1faf n ARG 70 N -4.49 0.70 -0.04 0.17 1.85 -1.24 -2.33 116.66 111.27 1faf n ARG 70 Ca -0.02 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.86 1faf n ARG 70 Cb 0.14 -1.45 -0.14 0.00 -1.05 0.00 0.00 32.46 29.96 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1faf n MET 71 N -0.95 0.79 -2.08 2.89 2.81 0.13 -4.89 117.12 115.82 1faf n MET 71 Ca 0.15 -0.11 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1faf n MET 71 Cb 0.07 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 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 -4.54 5.78 0.00 7.83 -0.87 -0.99 -4.78 114.94 117.38 1faf s ASN 72 Ca -0.08 0.90 0.01 0.00 -1.57 0.00 0.00 52.86 52.12 1faf s ASN 72 Cb 0.09 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.82 1faf s ASN 72 CO 0.76 -1.87 0.90 0.00 -2.57 0.00 0.00 177.10 174.32 1faf n LEU 73 N 10.77 1.83 0.00 0.60 -0.00 -1.26 -5.06 117.00 123.88 1faf n LEU 73 Ca 0.21 -1.74 0.00 0.00 -0.00 0.00 0.00 56.01 54.48 1faf n LEU 73 Cb 0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1faf n LEU 73 CO 0.70 0.45 0.00 0.61 -0.00 0.00 0.00 177.39 179.15 1faf n GLY 74 N -0.27 -2.03 0.17 1.47 0.00 -1.26 -4.98 105.19 98.28 1faf n GLY 74 Ca 0.01 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1faf n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1faf h GLY 75 N 0.00 0.00 -6.94 -0.02 0.00 -2.02 -3.44 103.07 90.66 1faf h GLY 75 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1faf h GLY 75 CO 0.00 0.00 0.16 -1.59 0.00 0.00 0.00 176.54 175.11 1faf s THR 76 N -3.27 4.86 0.00 4.70 2.01 -1.26 -4.81 115.64 117.87 1faf s THR 76 Ca 0.04 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1faf s THR 76 Cb 0.07 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1faf s THR 76 CO 0.72 -0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1faf n GLY 77 N 4.74 0.00 3.01 4.40 0.00 -1.26 -4.98 105.19 111.10 1faf n GLY 77 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.90 -1.34 0.00 1.61 0.08 -1.26 -5.24 117.98 109.94 1faf s PHE 78 Ca 0.00 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.57 1faf s PHE 78 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.49 1faf s PHE 78 CO 0.00 -1.04 0.00 0.94 -0.10 0.00 0.00 175.22 175.02