#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grj s ALA 3 N 0.00 3.55 -0.33 1.69 0.00 -1.26 -4.98 121.76 120.43 1grj s ALA 3 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1grj s ALA 3 Cb 0.00 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1grj s ALA 3 CO 0.00 0.14 0.05 0.42 0.00 0.00 0.00 175.76 176.37 1grj s ILE 4 N 0.18 2.59 0.03 0.00 1.01 -0.65 -4.86 121.20 119.50 1grj s ILE 4 Ca 0.23 -2.01 -0.38 0.00 0.00 0.00 0.00 60.65 58.49 1grj s ILE 4 Cb -0.15 -2.75 -0.18 0.00 0.01 0.00 0.00 42.46 39.40 1grj s ILE 4 CO 0.10 -0.44 1.29 -2.65 0.00 0.00 0.00 174.94 173.24 1grj n PRO 5 N 4.42 0.81 -3.65 2.79 -0.02 -1.25 0.71 135.00 138.81 1grj n PRO 5 Ca -0.03 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1grj n PRO 5 Cb 0.42 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 1grj n PRO 5 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1grj s MET 6 N 0.56 0.75 0.56 -0.52 1.75 0.31 -4.55 119.30 118.17 1grj s MET 6 Ca 0.87 0.96 -0.14 0.00 -1.25 0.00 0.00 55.69 56.14 1grj s MET 6 Cb -1.06 0.33 -0.06 0.00 2.84 0.00 0.00 34.83 36.89 1grj s MET 6 CO 0.51 -0.10 1.00 0.95 -0.65 0.00 0.00 175.02 176.73 1grj s THR 7 N 0.55 4.63 0.11 10.11 -4.23 -1.26 0.14 115.64 125.69 1grj s THR 7 Ca -0.02 1.02 -0.22 0.00 -1.18 0.00 0.00 61.69 61.29 1grj s THR 7 Cb -0.05 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1grj s THR 7 CO -0.02 -0.91 1.71 0.25 -0.54 0.00 0.00 174.62 175.11 1grj h LEU 8 N 0.32 -0.20 -0.46 4.79 5.85 -0.95 0.23 115.31 124.90 1grj h LEU 8 Ca -0.45 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.40 1grj h LEU 8 Cb 1.19 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 1grj h LEU 8 CO 0.62 -0.09 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.37 1grj h ARG 9 N -0.09 -0.06 -0.64 1.25 9.65 -1.95 -1.02 114.38 121.53 1grj h ARG 9 Ca 0.05 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 1grj h ARG 9 Cb 0.15 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1grj h ARG 9 CO -0.11 -0.04 0.19 0.78 2.80 0.00 0.00 179.97 183.59 1grj h GLY 10 N -0.06 1.05 1.52 2.80 0.00 -1.86 -1.55 103.07 104.96 1grj h GLY 10 Ca 0.22 -0.60 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 1grj h GLY 10 CO -0.51 0.56 -0.60 0.00 0.00 0.00 0.00 176.54 176.00 1grj h ALA 11 N 1.26 0.68 0.00 3.60 0.00 0.29 -1.03 119.26 124.07 1grj h ALA 11 Ca 0.21 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1grj h ALA 11 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1grj h ALA 11 CO -0.01 0.71 -0.38 0.93 0.00 0.00 0.00 179.25 180.50 1grj h GLU 12 N 0.37 0.00 -0.09 0.00 5.08 -1.03 0.11 114.58 119.02 1grj h GLU 12 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1grj h GLU 12 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1grj h GLU 12 CO 0.11 0.38 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.49 1grj h LYS 13 N 0.00 0.56 -0.18 2.33 1.63 -1.03 0.10 116.57 119.99 1grj h LYS 13 Ca -0.00 -0.48 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 1grj h LYS 13 Cb 0.67 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1grj h LYS 13 CO 0.05 1.11 -0.11 1.25 -3.45 0.00 0.00 179.45 178.29 1grj h LEU 14 N 0.37 0.41 -1.43 5.20 5.85 -0.04 -2.41 115.31 123.26 1grj h LEU 14 Ca -0.05 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 1grj h LEU 14 Cb 1.39 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1grj h LEU 14 CO 0.15 0.75 -0.28 0.03 -0.34 0.00 0.00 178.44 178.75 1grj h ARG 15 N 0.07 0.00 0.73 1.25 3.08 -0.88 -0.69 114.38 117.94 1grj h ARG 15 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1grj h ARG 15 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.67 1grj h ARG 15 CO 0.03 0.28 -0.35 0.93 -1.07 0.00 0.00 179.97 179.79 1grj h GLU 16 N 0.00 -0.95 -0.34 0.04 5.08 -0.74 -3.21 114.58 114.46 1grj h GLU 16 Ca -0.00 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1grj h GLU 16 Cb 0.55 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1grj h GLU 16 CO 0.04 -0.61 0.01 1.49 -1.00 0.00 0.00 179.01 178.94 1grj h GLU 17 N -1.10 0.11 -1.00 2.33 4.81 -0.91 -1.42 114.58 117.41 1grj h GLU 17 Ca -0.10 -0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.33 1grj h GLU 17 Cb 0.78 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.03 1grj h GLU 17 CO 0.17 0.07 0.62 1.25 -0.73 0.00 0.00 179.01 180.38 1grj h LEU 18 N 0.11 0.66 -0.11 1.64 5.85 -1.23 -0.34 115.31 121.90 1grj h LEU 18 Ca 0.17 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1grj h LEU 18 Cb 0.22 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1grj h LEU 18 CO -0.27 0.21 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.21 1grj h ASP 19 N 0.63 0.23 -0.58 1.25 3.58 -1.26 0.18 116.42 120.44 1grj h ASP 19 Ca 0.57 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1grj h ASP 19 Cb 1.08 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1grj h ASP 19 CO -0.35 0.59 0.25 0.15 -2.88 0.00 0.00 179.24 177.00 1grj h PHE 20 N -0.14 0.87 -0.20 0.28 3.57 -1.13 1.08 116.94 121.26 1grj h PHE 20 Ca 0.02 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1grj h PHE 20 Cb 0.50 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1grj h PHE 20 CO 0.07 0.68 0.01 -0.07 -2.23 0.00 0.00 178.31 176.77 1grj h LEU 21 N 0.80 0.34 -0.20 0.59 3.38 -1.03 0.23 115.31 119.42 1grj h LEU 21 Ca 0.20 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1grj h LEU 21 Cb 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1grj h LEU 21 CO -0.02 0.56 -0.12 0.11 0.09 0.00 0.00 178.44 179.06 1grj h LYS 22 N 0.11 0.43 0.01 1.13 1.57 -0.33 0.82 116.57 120.31 1grj h LYS 22 Ca 0.06 -0.20 -0.28 0.00 -1.87 0.00 0.00 60.65 58.36 1grj h LYS 22 Cb 0.38 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1grj h LYS 22 CO 0.01 0.74 -1.59 0.66 -0.57 0.00 0.00 179.45 178.70 1grj h SER 23 N 0.12 0.03 0.00 0.86 4.64 0.11 -3.40 113.55 115.92 1grj h SER 23 Ca 0.04 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1grj h SER 23 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1grj h SER 23 CO 0.03 1.04 -0.35 0.52 -0.87 0.00 0.00 176.83 177.21 1grj n VAL 24 N -3.12 0.88 -0.22 0.95 0.31 0.70 -4.71 118.33 113.12 1grj n VAL 24 Ca -0.14 0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 64.40 1grj n VAL 24 Cb 1.03 -1.74 0.04 0.00 -0.91 0.00 0.00 33.84 32.26 1grj n VAL 24 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1grj h ARG 25 N -0.35 0.82 0.19 5.55 3.08 -1.33 -2.90 114.38 119.43 1grj h ARG 25 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1grj h ARG 25 Cb 0.35 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1grj h ARG 25 CO 0.00 0.54 -0.47 -0.09 -1.07 0.00 0.00 179.97 178.88 1grj h ARG 26 N 0.84 -0.72 -0.36 0.04 2.43 -1.03 -0.01 114.38 115.57 1grj h ARG 26 Ca 0.23 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.53 1grj h ARG 26 Cb -0.08 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1grj h ARG 26 CO -0.06 -0.48 -0.20 -1.35 -1.51 0.00 0.00 179.97 176.37 1grj h PRO 27 N -0.75 -0.14 -1.00 0.20 0.11 -1.78 -0.31 132.00 128.33 1grj h PRO 27 Ca -0.00 0.01 0.20 0.00 0.11 0.00 0.00 66.00 66.32 1grj h PRO 27 Cb 0.74 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 31.77 1grj h PRO 27 CO -0.22 -0.09 0.61 1.49 -0.21 0.00 0.00 178.00 179.58 1grj h GLU 28 N -0.15 0.68 -0.01 1.05 4.81 -1.26 0.23 114.58 119.93 1grj h GLU 28 Ca 0.18 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1grj h GLU 28 Cb 0.43 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1grj h GLU 28 CO -0.45 0.45 -0.03 0.82 -0.73 0.00 0.00 179.01 179.07 1grj h ILE 29 N 0.70 1.47 0.00 2.32 2.04 0.41 -2.34 117.51 122.10 1grj h ILE 29 Ca 0.59 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1grj h ILE 29 Cb 1.00 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1grj h ILE 29 CO -0.39 0.37 -0.05 0.16 0.00 0.00 0.00 178.15 178.25 1grj h ILE 30 N -0.53 0.25 0.00 -0.67 -2.65 0.05 -0.35 117.51 113.61 1grj h ILE 30 Ca -0.00 -0.34 -0.12 0.00 1.03 0.00 0.00 64.86 65.43 1grj h ILE 30 Cb 0.63 1.27 -0.02 0.00 -2.05 0.00 0.00 36.82 36.64 1grj h ILE 30 CO 0.01 0.05 -0.65 0.00 0.03 0.00 0.00 178.15 177.58 1grj h ALA 31 N 1.95 0.65 -0.37 0.16 0.00 -0.99 -1.29 119.26 119.38 1grj h ALA 31 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1grj h ALA 31 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1grj h ALA 31 CO 0.01 0.71 -0.39 0.00 0.00 0.00 0.00 179.25 179.58 1grj h ALA 32 N 1.45 0.54 -0.10 0.00 0.00 -0.51 -1.09 119.26 119.56 1grj h ALA 32 Ca -0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1grj h ALA 32 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1grj h ALA 32 CO 0.07 0.64 -0.26 0.82 0.00 0.00 0.00 179.25 180.52 1grj h ILE 33 N 0.72 1.40 -0.44 0.00 2.04 -1.44 -2.07 117.51 117.72 1grj h ILE 33 Ca 0.06 -1.58 0.09 0.00 1.00 0.00 0.00 64.86 64.42 1grj h ILE 33 Cb 0.98 2.16 -0.08 0.00 -0.74 0.00 0.00 36.82 39.14 1grj h ILE 33 CO 0.09 0.46 -0.06 0.00 0.00 0.00 0.00 178.15 178.64 1grj h ALA 34 N 0.50 0.34 0.23 1.87 0.00 -1.17 -0.58 119.26 120.45 1grj h ALA 34 Ca -0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1grj h ALA 34 Cb 0.87 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1grj h ALA 34 CO 0.06 -0.43 -0.42 1.49 0.00 0.00 0.00 179.25 179.95 1grj h GLU 35 N 0.04 -0.70 0.00 0.00 4.22 -1.17 -2.23 114.58 114.74 1grj h GLU 35 Ca 0.22 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.68 1grj h GLU 35 Cb 0.33 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1grj h GLU 35 CO -0.42 -0.47 -0.10 0.00 -2.18 0.00 0.00 179.01 175.85 1grj h ALA 36 N -0.30 1.15 0.00 2.92 0.00 -1.25 -1.87 119.26 119.92 1grj h ALA 36 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1grj h ALA 36 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1grj h ALA 36 CO -0.17 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.00 1grj h ARG 37 N 0.00 0.00 0.00 0.00 3.08 -0.47 -2.24 114.38 114.74 1grj h ARG 37 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1grj h ARG 37 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1grj h ARG 37 CO 0.01 0.20 0.00 0.93 -1.07 0.00 0.00 179.97 180.04 1grj h GLU 38 N 0.00 0.00 -0.35 0.04 4.39 -1.21 -1.98 114.58 115.47 1grj h GLU 38 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1grj h GLU 38 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1grj h GLU 38 CO 0.03 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.60 1grj n HIS 39 N -2.48 0.45 -1.57 4.33 8.25 -0.84 -5.06 115.22 118.31 1grj n HIS 39 Ca -0.01 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1grj n HIS 39 Cb 0.11 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1grj n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1grj n GLY 40 N 1.46 0.83 4.24 -1.41 0.00 -0.75 -4.83 105.19 104.74 1grj n GLY 40 Ca 0.19 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1grj n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1grj n ASP 41 N -3.69 -0.51 -0.32 1.61 -0.08 -1.26 -4.69 116.55 107.62 1grj n ASP 41 Ca 0.00 -1.28 0.23 0.00 -1.51 0.00 0.00 54.79 52.24 1grj n ASP 41 Cb 0.00 -1.66 0.53 0.00 2.34 0.00 0.00 41.12 42.33 1grj n ASP 41 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1grj h LEU 42 N -2.04 0.41 -1.35 -2.67 3.38 -1.93 -0.52 115.31 110.60 1grj h LEU 42 Ca -0.68 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.40 1grj h LEU 42 Cb 1.40 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1grj h LEU 42 CO 0.65 0.08 0.46 0.50 0.09 0.00 0.00 178.44 180.22 1grj h LYS 43 N 0.36 0.84 -0.09 1.13 3.64 -2.01 -2.26 116.57 118.18 1grj h LYS 43 Ca 0.59 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.91 1grj h LYS 43 Cb 1.54 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1grj h LYS 43 CO -0.27 0.55 -0.01 0.39 -2.27 0.00 0.00 179.45 177.84 1grj n GLU 44 N -4.45 1.85 -2.85 1.90 -0.58 -0.30 -4.93 120.64 111.29 1grj n GLU 44 Ca 0.08 -2.69 -0.43 0.00 -0.42 0.00 0.00 57.16 53.70 1grj n GLU 44 Cb 0.11 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.31 1grj n GLU 44 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1grj s ASN 45 N -2.56 6.22 0.15 1.62 3.84 -0.63 -4.91 114.94 118.68 1grj s ASN 45 Ca 0.36 -0.77 -0.14 0.00 0.21 0.00 0.00 52.86 52.53 1grj s ASN 45 Cb 0.30 -2.43 0.03 0.00 -0.55 0.00 0.00 41.25 38.61 1grj s ASN 45 CO 0.05 -1.38 1.69 0.00 -2.79 0.00 0.00 177.10 174.67 1grj h ALA 46 N 9.49 0.66 0.00 1.71 0.00 -1.91 -1.45 119.26 127.76 1grj h ALA 46 Ca -0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1grj h ALA 46 Cb 1.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1grj h ALA 46 CO 1.15 0.30 -0.30 0.93 0.00 0.00 0.00 179.25 181.33 1grj h GLU 47 N 0.68 0.00 -0.02 0.00 3.07 -1.97 -0.03 114.58 116.30 1grj h GLU 47 Ca 0.16 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.90 1grj h GLU 47 Cb 0.25 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1grj h GLU 47 CO -0.01 0.30 -0.48 -0.92 -1.40 0.00 0.00 179.01 176.50 1grj h TYR 48 N 0.00 0.53 0.00 4.33 5.03 -1.80 -2.45 116.97 122.60 1grj h TYR 48 Ca -0.00 -0.27 -0.09 0.00 2.58 0.00 0.00 58.73 60.95 1grj h TYR 48 Cb 0.72 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1grj h TYR 48 CO 0.00 1.07 -0.43 0.45 -1.32 0.00 0.00 178.16 177.93 1grj h HIS 49 N -0.16 0.00 -0.02 -3.82 3.86 -0.76 -0.63 115.15 113.62 1grj h HIS 49 Ca -0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 1grj h HIS 49 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1grj h HIS 49 CO 0.15 0.43 -0.90 0.00 0.86 0.00 0.00 177.93 178.46 1grj h ALA 50 N 1.57 0.38 -0.29 2.45 0.00 -1.07 -1.14 119.26 121.16 1grj h ALA 50 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1grj h ALA 50 Cb 0.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1grj h ALA 50 CO 0.06 0.79 -0.29 0.00 0.00 0.00 0.00 179.25 179.80 1grj h ALA 51 N 0.73 0.42 -0.14 0.00 0.00 -1.21 -1.71 119.26 117.36 1grj h ALA 51 Ca -0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1grj h ALA 51 Cb 1.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1grj h ALA 51 CO 0.16 0.44 -0.43 -0.09 0.00 0.00 0.00 179.25 179.33 1grj h ARG 52 N 0.45 0.34 0.78 0.00 9.65 -1.13 -0.45 114.38 124.02 1grj h ARG 52 Ca 0.05 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1grj h ARG 52 Cb 0.86 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1grj h ARG 52 CO 0.07 0.71 -0.38 0.93 2.80 0.00 0.00 179.97 184.11 1grj h GLU 53 N 0.28 -1.01 -0.93 0.20 5.08 -1.07 -2.80 114.58 114.33 1grj h GLU 53 Ca 0.02 0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1grj h GLU 53 Cb 0.88 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 1grj h GLU 53 CO 0.07 -0.67 0.59 1.96 -1.00 0.00 0.00 179.01 179.96 1grj h GLN 54 N -1.05 0.76 -0.80 2.33 1.08 -1.10 -0.40 115.11 115.93 1grj h GLN 54 Ca -0.11 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1grj h GLN 54 Cb 0.81 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.01 1grj h GLN 54 CO 0.18 0.50 0.48 0.37 -0.95 0.00 0.00 178.83 179.41 1grj h GLN 55 N 0.78 0.86 -0.08 1.46 4.15 -0.83 0.58 115.11 122.04 1grj h GLN 55 Ca 0.47 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.78 1grj h GLN 55 Cb 0.66 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1grj h GLN 55 CO -0.23 0.57 -0.17 0.78 -1.93 0.00 0.00 178.83 177.84 1grj h GLY 56 N 0.89 0.28 -0.29 2.39 0.00 -0.89 0.12 103.07 105.58 1grj h GLY 56 Ca 0.35 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1grj h GLY 56 CO -0.17 0.31 -0.43 0.74 0.00 0.00 0.00 176.54 176.99 1grj h PHE 57 N -0.22 -1.32 -0.02 5.60 0.04 -0.83 -0.11 116.94 120.08 1grj h PHE 57 Ca 0.00 0.06 -0.14 0.00 2.80 0.00 0.00 57.97 60.70 1grj h PHE 57 Cb 0.77 0.61 -0.02 0.00 2.20 0.00 0.00 35.95 39.52 1grj h PHE 57 CO 0.11 -0.39 -0.62 0.00 -0.60 0.00 0.00 178.31 176.82 1grj h GLU 59 N 0.06 0.63 -0.65 0.00 4.39 -0.39 -2.19 114.58 116.44 1grj h GLU 59 Ca -0.01 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 59.29 1grj h GLU 59 Cb 1.10 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 1grj h GLU 59 CO 0.09 1.04 0.42 0.78 -1.16 0.00 0.00 179.01 180.17 1grj h GLY 60 N 0.96 0.93 1.26 -3.84 0.00 -0.87 0.76 103.07 102.28 1grj h GLY 60 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.07 1grj h GLY 60 CO 0.12 0.29 0.34 -0.09 0.00 0.00 0.00 176.54 177.20 1grj h ARG 61 N 0.84 0.40 0.05 4.80 9.65 -1.22 0.62 114.38 129.52 1grj h ARG 61 Ca 0.25 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1grj h ARG 61 Cb -0.04 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1grj h ARG 61 CO -0.08 0.26 -0.02 0.82 2.80 0.00 0.00 179.97 183.75 1grj h ILE 62 N 0.41 1.30 -0.85 1.20 2.04 -0.57 -1.63 117.51 119.41 1grj h ILE 62 Ca 0.22 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.88 1grj h ILE 62 Cb 0.35 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 1grj h ILE 62 CO -0.06 0.33 0.55 0.07 0.00 0.00 0.00 178.15 179.04 1grj h LYS 63 N -0.68 0.64 -0.12 2.37 2.10 -0.23 -0.87 116.57 119.77 1grj h LYS 63 Ca -0.01 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1grj h LYS 63 Cb 0.59 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1grj h LYS 63 CO 0.01 0.42 -0.03 0.22 -2.00 0.00 0.00 179.45 178.08 1grj h ASP 64 N 0.66 0.23 -0.62 7.07 1.82 -0.83 -2.65 116.42 122.10 1grj h ASP 64 Ca 0.42 -0.36 -0.09 0.00 -0.39 0.00 0.00 57.03 56.61 1grj h ASP 64 Cb 0.69 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 1grj h ASP 64 CO -0.18 0.54 0.06 0.40 -1.61 0.00 0.00 179.24 178.45 1grj h ILE 65 N -0.08 1.26 -0.00 2.25 2.04 -0.28 -0.35 117.51 122.35 1grj h ILE 65 Ca 0.03 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1grj h ILE 65 Cb 0.44 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1grj h ILE 65 CO 0.01 0.40 -0.08 -0.33 0.00 0.00 0.00 178.15 178.15 1grj h GLU 66 N 0.99 -0.14 0.60 2.37 3.07 -1.24 0.95 114.58 121.18 1grj h GLU 66 Ca 0.19 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1grj h GLU 66 Cb 0.48 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1grj h GLU 66 CO 0.02 -0.09 -0.34 0.00 -1.40 0.00 0.00 179.01 177.20 1grj h ALA 67 N 0.84 -0.89 -0.79 3.43 0.00 -1.24 0.82 119.26 121.43 1grj h ALA 67 Ca 0.03 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1grj h ALA 67 Cb 0.19 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 1grj h ALA 67 CO -0.09 -1.01 -0.30 0.87 0.00 0.00 0.00 179.25 178.72 1grj h LYS 68 N -0.88 -0.06 0.00 0.00 6.56 -0.94 1.13 116.57 122.38 1grj h LYS 68 Ca -0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1grj h LYS 68 Cb 0.70 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1grj h LYS 68 CO 0.09 -0.04 0.00 1.28 -2.06 0.00 0.00 179.45 178.73 1grj n LEU 69 N -5.48 0.68 0.11 2.94 4.77 0.32 -2.22 117.00 118.12 1grj n LEU 69 Ca 0.09 0.57 -0.01 0.00 -0.03 0.00 0.00 56.01 56.63 1grj n LEU 69 Cb 0.39 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1grj n LEU 69 CO -0.05 -0.17 0.35 -1.28 -1.33 0.00 0.00 177.39 174.91 1grj h SER 70 N 0.00 0.00 0.28 -1.43 0.87 0.83 -3.31 113.55 110.78 1grj h SER 70 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1grj h SER 70 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1grj h SER 70 CO 0.00 0.68 -1.31 -3.20 -0.53 0.00 0.00 176.83 172.47 1grj n ASN 71 N -3.27 0.51 -4.45 6.23 2.85 0.61 -5.04 115.26 112.70 1grj n ASN 71 Ca 0.01 -0.23 -0.38 0.00 -0.11 0.00 0.00 54.58 53.87 1grj n ASN 71 Cb 0.81 1.16 0.04 0.00 1.24 0.00 0.00 39.78 43.03 1grj n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1grj n ALA 72 N -1.93 -1.30 -3.65 5.20 0.00 -0.94 -1.63 120.51 116.26 1grj n ALA 72 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1grj n ALA 72 Cb 0.47 -1.80 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 1grj n ALA 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1grj s GLN 73 N -2.01 1.13 -0.57 0.00 0.74 0.22 -4.41 119.66 114.75 1grj s GLN 73 Ca 0.68 -1.88 -0.28 0.00 0.05 0.00 0.00 55.36 53.93 1grj s GLN 73 Cb -0.45 -2.08 0.01 0.00 1.10 0.00 0.00 33.01 31.59 1grj s GLN 73 CO 0.55 -1.18 1.45 0.08 -0.55 0.00 0.00 175.29 175.64 1grj s VAL 74 N 0.47 3.73 -0.07 1.34 1.01 -1.23 -0.53 120.40 125.12 1grj s VAL 74 Ca 0.18 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1grj s VAL 74 Cb -0.22 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1grj s VAL 74 CO -0.01 -1.18 0.48 -0.63 0.00 0.00 0.00 175.10 173.76 1grj s ILE 75 N 6.32 5.10 -0.48 2.22 1.09 0.37 -4.76 121.20 131.06 1grj s ILE 75 Ca 0.53 0.97 0.03 0.00 -1.10 0.00 0.00 60.65 61.08 1grj s ILE 75 Cb -0.11 -3.81 0.13 0.00 -1.06 0.00 0.00 42.46 37.61 1grj s ILE 75 CO 0.24 0.40 0.25 -0.62 -0.10 0.00 0.00 174.94 175.11 1grj s ASP 76 N 0.08 4.01 0.00 3.58 -1.08 -1.26 -0.29 116.67 121.71 1grj s ASP 76 Ca 0.26 -2.82 0.10 0.00 -0.52 0.00 0.00 52.55 49.57 1grj s ASP 76 Cb -0.16 -1.36 0.53 0.00 -1.46 0.00 0.00 42.92 40.48 1grj s ASP 76 CO 0.12 -0.25 1.20 1.33 0.52 0.00 0.00 175.17 178.09 1grj n VAL 77 N 3.33 0.67 0.25 1.11 0.24 -1.26 -2.29 118.33 120.38 1grj n VAL 77 Ca 0.07 0.17 0.14 0.00 -2.04 0.00 0.00 64.34 62.67 1grj n VAL 77 Cb 0.33 -1.00 0.33 0.00 -1.47 0.00 0.00 33.84 32.04 1grj n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1grj h THR 78 N 0.00 0.00 -0.22 3.34 1.03 -1.86 -3.16 112.91 112.03 1grj h THR 78 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1grj h THR 78 Cb 0.09 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1grj h THR 78 CO 0.00 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.80 1grj n LYS 79 N -3.06 2.17 -4.71 0.00 5.02 -0.97 -4.93 118.16 111.68 1grj n LYS 79 Ca 0.03 -1.75 -0.31 0.00 -2.02 0.00 0.00 58.31 54.26 1grj n LYS 79 Cb 0.46 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 1grj n LYS 79 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1grj s MET 80 N -1.72 2.14 0.10 1.97 1.00 -1.19 -5.10 119.30 116.50 1grj s MET 80 Ca 0.35 -0.94 -0.31 0.00 0.00 0.00 0.00 55.69 54.79 1grj s MET 80 Cb 0.21 -2.22 -0.09 0.00 0.00 0.00 0.00 34.83 32.73 1grj s MET 80 CO 0.30 0.55 1.59 -1.25 0.00 0.00 0.00 175.02 176.21 1grj s PRO 81 N -1.32 4.22 -0.30 2.03 0.04 -1.26 -4.90 135.00 133.51 1grj s PRO 81 Ca 0.14 2.30 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 1grj s PRO 81 Cb -0.10 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 1grj s PRO 81 CO 0.05 -0.65 1.83 1.21 0.04 0.00 0.00 177.00 179.47 1grj s ASN 82 N 1.80 5.90 0.10 6.66 3.84 -1.26 -4.81 114.94 127.17 1grj s ASN 82 Ca 0.71 1.42 0.04 0.00 0.21 0.00 0.00 52.86 55.24 1grj s ASN 82 Cb -0.41 -2.52 -0.23 0.00 -0.55 0.00 0.00 41.25 37.54 1grj s ASN 82 CO 0.31 -1.69 1.22 0.78 -2.79 0.00 0.00 177.10 174.93 1grj h ASN 83 N 12.89 0.13 0.00 -4.21 -0.26 -1.96 -3.47 115.58 118.70 1grj h ASN 83 Ca -0.35 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 1grj h ASN 83 Cb 1.18 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1grj h ASN 83 CO 1.02 1.11 0.00 0.61 -1.06 0.00 0.00 177.43 179.11 1grj n GLY 84 N 1.41 0.49 3.87 2.83 0.00 -1.26 -4.98 105.19 107.55 1grj n GLY 84 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1grj n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grj s ARG 85 N -0.94 3.59 -0.17 1.61 0.52 -1.26 -1.55 118.95 120.74 1grj s ARG 85 Ca 0.00 0.02 -0.29 0.00 -0.52 0.00 0.00 55.73 54.95 1grj s ARG 85 Cb 0.00 -3.18 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1grj s ARG 85 CO 0.00 0.74 0.99 0.08 0.02 0.00 0.00 175.30 177.13 1grj s VAL 86 N -1.08 4.75 0.45 3.52 1.01 0.19 -4.94 120.40 124.30 1grj s VAL 86 Ca 0.19 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.17 1grj s VAL 86 Cb -0.13 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1grj s VAL 86 CO 0.08 -0.08 0.02 0.27 0.00 0.00 0.00 175.10 175.40 1grj s ILE 87 N 2.58 1.37 -0.01 2.22 -4.36 -1.26 -0.29 121.20 121.46 1grj s ILE 87 Ca 0.45 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 1grj s ILE 87 Cb -0.16 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 1grj s ILE 87 CO 0.12 0.00 1.42 0.12 0.24 0.00 0.00 174.94 176.84 1grj s PHE 88 N -2.90 2.78 0.00 1.37 2.19 -1.26 -3.04 117.98 117.12 1grj s PHE 88 Ca 0.20 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.23 1grj s PHE 88 Cb 0.05 -3.68 0.00 0.00 -1.31 0.00 0.00 43.02 38.08 1grj s PHE 88 CO 0.10 -2.56 0.00 0.41 1.83 0.00 0.00 175.22 175.00 1grj n GLY 89 N 3.69 2.18 3.76 13.12 0.00 -0.23 -4.86 105.19 122.85 1grj n GLY 89 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1grj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grj s ALA 90 N -2.37 2.01 -0.21 4.61 0.00 -1.17 -4.58 121.76 120.05 1grj s ALA 90 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 1grj s ALA 90 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1grj s ALA 90 CO 0.00 -1.94 0.01 0.99 0.00 0.00 0.00 175.76 174.82 1grj s THR 91 N -3.01 4.00 -0.11 0.00 2.01 -0.44 -1.49 115.64 116.59 1grj s THR 91 Ca 0.62 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1grj s THR 91 Cb -0.16 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1grj s THR 91 CO 0.56 0.41 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.04 1grj s VAL 92 N 1.17 1.60 -0.23 3.82 1.01 0.17 -1.56 120.40 126.37 1grj s VAL 92 Ca 0.03 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1grj s VAL 92 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1grj s VAL 92 CO 0.02 0.46 0.49 -0.89 0.00 0.00 0.00 175.10 175.18 1grj s THR 93 N 0.90 5.10 0.07 3.92 2.01 -0.82 -0.56 115.64 126.27 1grj s THR 93 Ca -0.08 0.86 0.10 0.00 0.31 0.00 0.00 61.69 62.88 1grj s THR 93 Cb -0.15 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1grj s THR 93 CO -0.01 0.14 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.11 1grj s VAL 94 N 1.95 2.15 -0.17 3.82 1.01 0.10 -0.49 120.40 128.77 1grj s VAL 94 Ca 0.21 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1grj s VAL 94 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1grj s VAL 94 CO 0.09 0.27 -0.20 -0.22 0.00 0.00 0.00 175.10 175.04 1grj s LEU 95 N -1.50 2.12 -0.75 3.92 2.96 0.88 -2.12 118.68 124.20 1grj s LEU 95 Ca 0.12 -0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 53.13 1grj s LEU 95 Cb -0.10 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1grj s LEU 95 CO 0.03 0.01 1.55 0.21 -1.32 0.00 0.00 176.35 176.83 1grj s ASN 96 N 1.23 5.83 0.56 3.68 3.84 -0.05 0.47 114.94 130.50 1grj s ASN 96 Ca 0.03 -0.36 0.37 0.00 0.21 0.00 0.00 52.86 53.12 1grj s ASN 96 Cb -0.13 -2.55 1.53 0.00 -0.55 0.00 0.00 41.25 39.54 1grj s ASN 96 CO -0.11 -2.05 1.74 -0.07 -2.79 0.00 0.00 177.10 173.82 1grj h LEU 97 N 14.51 0.00 0.00 3.21 3.38 -1.75 0.45 115.31 135.11 1grj h LEU 97 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1grj h LEU 97 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1grj h LEU 97 CO 1.27 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.27 1grj n ASP 98 N -4.02 0.00 0.27 -0.43 8.00 -1.26 -4.42 116.55 114.70 1grj n ASP 98 Ca 0.27 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.93 1grj n ASP 98 Cb 1.34 0.00 0.87 0.00 -0.02 0.00 0.00 41.12 43.30 1grj n ASP 98 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1grj h SER 99 N 0.00 0.00 -2.31 -2.24 4.64 -1.92 -3.44 113.55 108.27 1grj h SER 99 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1grj h SER 99 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1grj h SER 99 CO 0.00 0.00 -0.30 -0.67 -0.87 0.00 0.00 176.83 174.99 1grj n ASP 100 N -2.70 -3.78 -4.55 4.97 2.03 0.16 -5.00 116.55 107.68 1grj n ASP 100 Ca -0.02 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.74 1grj n ASP 100 Cb 0.16 -2.73 -0.04 0.00 -0.72 0.00 0.00 41.12 37.79 1grj n ASP 100 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1grj s GLU 101 N -5.01 3.44 -0.23 -0.67 -6.30 -1.18 -4.76 118.70 103.98 1grj s GLU 101 Ca 0.13 -0.04 -0.09 0.00 -2.50 0.00 0.00 54.97 52.47 1grj s GLU 101 Cb -0.06 -3.98 -0.04 0.00 0.00 0.00 0.00 34.13 30.05 1grj s GLU 101 CO 0.16 -1.32 0.12 -2.00 0.02 0.00 0.00 175.26 172.23 1grj s GLU 102 N 3.80 3.93 0.06 4.30 2.12 -1.26 -0.87 118.70 130.78 1grj s GLU 102 Ca 0.34 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.35 1grj s GLU 102 Cb -0.11 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1grj s GLU 102 CO 0.23 0.02 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.23 1grj s GLN 103 N 1.12 0.64 -0.07 4.30 -1.52 -0.90 -5.00 119.66 118.23 1grj s GLN 103 Ca 0.06 -0.90 0.04 0.00 -1.95 0.00 0.00 55.36 52.61 1grj s GLN 103 Cb -0.14 -0.38 -0.01 0.00 -0.22 0.00 0.00 33.01 32.26 1grj s GLN 103 CO 0.04 0.06 -0.21 0.99 -0.25 0.00 0.00 175.29 175.92 1grj s THR 104 N -1.77 2.38 0.27 -0.19 2.01 -1.26 0.02 115.64 117.10 1grj s THR 104 Ca -0.04 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.07 1grj s THR 104 Cb -0.07 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.47 1grj s THR 104 CO -0.00 0.56 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.15 1grj s TYR 105 N -0.10 1.84 -0.11 4.92 2.02 0.28 -4.88 117.35 121.31 1grj s TYR 105 Ca -0.04 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1grj s TYR 105 Cb -0.14 -1.07 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1grj s TYR 105 CO 0.04 0.17 -0.10 0.50 -1.57 0.00 0.00 175.55 174.60 1grj s ARG 106 N -3.78 1.71 -0.12 -0.62 3.52 -0.25 0.41 118.95 119.82 1grj s ARG 106 Ca 0.29 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1grj s ARG 106 Cb 0.05 -1.67 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 1grj s ARG 106 CO 0.11 -0.22 1.11 0.42 -0.81 0.00 0.00 175.30 175.91 1grj s ILE 107 N 1.51 4.54 0.25 4.11 1.01 -0.56 -0.19 121.20 131.88 1grj s ILE 107 Ca 0.02 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.53 1grj s ILE 107 Cb -0.13 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1grj s ILE 107 CO -0.07 -0.05 0.18 0.68 0.00 0.00 0.00 174.94 175.68 1grj s VAL 108 N 2.49 0.02 0.80 2.92 -7.23 0.20 -1.07 120.40 118.53 1grj s VAL 108 Ca 0.51 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.56 1grj s VAL 108 Cb -0.20 -2.50 0.07 0.00 0.56 0.00 0.00 36.38 34.31 1grj s VAL 108 CO 0.16 0.00 1.17 -0.83 -0.31 0.00 0.00 175.10 175.29 1grj s GLY 109 N -3.25 1.60 0.30 2.32 0.00 -1.26 0.23 107.32 107.26 1grj s GLY 109 Ca 0.40 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.54 1grj s GLY 109 CO 0.18 -0.13 1.85 -0.55 0.00 0.00 0.00 173.10 174.45 1grj h ASP 110 N -1.00 0.87 0.57 1.64 3.32 -1.94 0.24 116.42 120.11 1grj h ASP 110 Ca -0.46 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 1grj h ASP 110 Cb 1.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1grj h ASP 110 CO 0.66 0.48 -0.74 -0.78 -1.72 0.00 0.00 179.24 177.13 1grj h ASP 111 N 0.94 0.17 1.45 6.45 1.82 -1.97 -3.21 116.42 122.07 1grj h ASP 111 Ca 0.47 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1grj h ASP 111 Cb 0.49 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.44 1grj h ASP 111 CO -0.23 0.85 -0.56 -0.08 -1.61 0.00 0.00 179.24 177.60 1grj h GLU 112 N 0.09 0.00 -6.51 0.28 4.81 -1.82 -3.47 114.58 107.96 1grj h GLU 112 Ca -0.02 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.62 1grj h GLU 112 Cb 1.30 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.75 1grj h GLU 112 CO 0.11 0.06 0.75 0.00 -0.73 0.00 0.00 179.01 179.20 1grj n ALA 113 N -2.16 1.22 -2.98 2.92 0.00 0.80 -4.94 120.51 115.37 1grj n ALA 113 Ca 0.01 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 1grj n ALA 113 Cb 0.58 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 1grj n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1grj n ASP 114 N 3.14 -2.05 0.30 0.00 -0.08 -0.24 -4.96 116.55 112.68 1grj n ASP 114 Ca 0.16 -2.83 0.18 0.00 -1.51 0.00 0.00 54.79 50.79 1grj n ASP 114 Cb 0.29 0.83 1.01 0.00 2.34 0.00 0.00 41.12 45.59 1grj n ASP 114 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1grj h PHE 115 N 4.79 0.00 -0.14 -0.67 -0.00 -1.82 0.59 116.94 119.69 1grj h PHE 115 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.97 1grj h PHE 115 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.94 1grj h PHE 115 CO 0.16 0.00 -0.23 0.87 -0.00 0.00 0.00 178.31 179.11 1grj h LYS 116 N 0.00 0.24 -0.82 6.09 1.57 -1.96 -1.82 116.57 119.88 1grj h LYS 116 Ca 0.01 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1grj h LYS 116 Cb 0.06 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 1grj h LYS 116 CO -0.00 0.47 0.16 1.04 -0.57 0.00 0.00 179.45 180.55 1grj n GLN 117 N -4.18 3.03 -2.29 3.15 1.13 0.20 -4.91 117.38 113.50 1grj n GLN 117 Ca -0.01 -2.12 -0.18 0.00 -1.94 0.00 0.00 57.00 52.75 1grj n GLN 117 Cb 0.34 -1.95 -0.02 0.00 0.11 0.00 0.00 30.24 28.73 1grj n GLN 117 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1grj n ASN 118 N 0.05 -5.18 -4.23 1.08 4.13 -0.68 -4.98 115.26 105.44 1grj n ASN 118 Ca 0.27 0.11 -0.37 0.00 1.68 0.00 0.00 54.58 56.26 1grj n ASN 118 Cb 1.05 -4.38 -0.12 0.00 -1.54 0.00 0.00 39.78 34.79 1grj n ASN 118 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1grj s LEU 119 N -5.70 4.60 -0.15 3.41 1.43 -1.14 -1.09 118.68 120.05 1grj s LEU 119 Ca 0.00 -1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 51.64 1grj s LEU 119 Cb 0.00 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1grj s LEU 119 CO 0.00 -0.40 0.00 0.27 0.23 0.00 0.00 176.35 176.45 1grj s ILE 120 N 1.33 4.27 0.31 -0.59 -4.36 0.74 -1.07 121.20 121.82 1grj s ILE 120 Ca 0.01 -0.23 -0.29 0.00 -0.26 0.00 0.00 60.65 59.88 1grj s ILE 120 Cb -0.21 -2.88 -0.11 0.00 1.25 0.00 0.00 42.46 40.52 1grj s ILE 120 CO 0.01 0.50 1.45 -0.55 0.24 0.00 0.00 174.94 176.58 1grj s SER 121 N 0.17 6.55 0.57 4.36 0.15 -1.25 0.62 113.70 124.87 1grj s SER 121 Ca 0.01 2.83 0.28 0.00 0.70 0.00 0.00 55.95 59.77 1grj s SER 121 Cb -0.13 -2.64 1.51 0.00 -1.71 0.00 0.00 66.02 63.04 1grj s SER 121 CO 0.02 -0.74 1.97 -0.37 1.20 0.00 0.00 173.24 175.31 1grj h VAL 122 N 3.22 0.48 -2.60 4.45 -1.51 0.26 -3.06 116.25 117.48 1grj h VAL 122 Ca -0.48 0.00 -0.78 0.00 -1.23 0.00 0.00 66.70 64.21 1grj h VAL 122 Cb 1.23 0.69 -0.23 0.00 -2.13 0.00 0.00 31.29 30.85 1grj h VAL 122 CO 0.71 0.00 1.08 0.59 -1.23 0.00 0.00 177.57 178.72 1grj n ASN 123 N -3.90 5.65 -3.57 4.19 3.02 -1.26 -4.09 115.26 115.30 1grj n ASN 123 Ca 0.07 -3.16 -0.17 0.00 -0.03 0.00 0.00 54.58 51.30 1grj n ASN 123 Cb 0.58 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1grj n ASN 123 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1grj s SER 124 N 0.57 -0.54 0.40 6.41 1.04 -1.16 -5.06 113.70 115.36 1grj s SER 124 Ca 0.35 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.39 1grj s SER 124 Cb 0.00 0.49 0.83 0.00 0.10 0.00 0.00 66.02 67.44 1grj s SER 124 CO 0.01 -0.59 2.03 1.55 0.98 0.00 0.00 173.24 177.23 1grj h PRO 125 N 3.16 0.53 -0.11 4.02 0.13 -1.90 -1.06 132.00 136.77 1grj h PRO 125 Ca -0.28 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 1grj h PRO 125 Cb 1.15 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1grj h PRO 125 CO 0.39 0.38 -0.36 0.97 -0.23 0.00 0.00 178.00 179.16 1grj h ILE 126 N 0.54 1.38 -0.08 -3.56 2.10 -1.95 -0.32 117.51 115.62 1grj h ILE 126 Ca 0.14 -1.68 0.00 0.00 1.08 0.00 0.00 64.86 64.41 1grj h ILE 126 Cb -0.00 2.15 -0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1grj h ILE 126 CO -0.03 0.50 0.05 0.00 -1.08 0.00 0.00 178.15 177.59 1grj h ALA 127 N 0.50 0.10 -0.12 0.18 0.00 -1.79 -2.27 119.26 115.86 1grj h ALA 127 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1grj h ALA 127 Cb 0.98 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1grj h ALA 127 CO 0.08 -0.41 -0.11 0.00 0.00 0.00 0.00 179.25 178.81 1grj h ARG 128 N 0.11 -0.12 -0.01 0.00 3.08 -1.18 0.17 114.38 116.43 1grj h ARG 128 Ca 0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1grj h ARG 128 Cb -0.01 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1grj h ARG 128 CO -0.01 -0.08 0.01 0.78 -1.07 0.00 0.00 179.97 179.60 1grj h GLY 129 N -0.12 0.00 0.49 0.04 0.00 -0.93 -3.20 103.07 99.35 1grj h GLY 129 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.05 1grj h GLY 129 CO -0.20 0.00 -2.09 1.04 0.00 0.00 0.00 176.54 175.29 1grj n LEU 130 N -4.00 2.34 -4.60 3.11 4.77 -0.75 -4.79 117.00 113.08 1grj n LEU 130 Ca -0.03 0.15 -0.50 0.00 -0.03 0.00 0.00 56.01 55.60 1grj n LEU 130 Cb 0.09 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.32 1grj n LEU 130 CO 0.29 0.79 0.87 -0.38 -1.33 0.00 0.00 177.39 177.64 1grj n ILE 131 N -3.33 0.37 0.00 -0.08 2.08 0.53 -0.55 119.36 118.38 1grj n ILE 131 Ca -0.33 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 62.89 1grj n ILE 131 Cb 1.04 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 1grj n ILE 131 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1grj n GLY 132 N 2.41 2.34 3.29 7.39 0.00 0.60 -4.99 105.19 116.24 1grj n GLY 132 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1grj n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1grj n LYS 133 N -2.00 -0.73 -3.95 1.61 4.01 0.29 -4.68 118.16 112.70 1grj n LYS 133 Ca 0.00 -1.94 -0.09 0.00 -0.51 0.00 0.00 58.31 55.76 1grj n LYS 133 Cb 0.00 -0.96 -0.07 0.00 -0.51 0.00 0.00 35.03 33.49 1grj n LYS 133 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1grj s GLU 134 N -5.21 1.10 0.07 1.97 -1.05 -1.26 0.52 118.70 114.84 1grj s GLU 134 Ca 0.62 -1.16 -0.37 0.00 -0.15 0.00 0.00 54.97 53.91 1grj s GLU 134 Cb -0.02 0.37 -0.18 0.00 -0.44 0.00 0.00 34.13 33.86 1grj s GLU 134 CO 0.42 -0.39 1.21 0.39 0.95 0.00 0.00 175.26 177.84 1grj n GLU 135 N -0.19 0.75 0.00 -4.83 1.02 -0.59 -1.35 120.64 115.45 1grj n GLU 135 Ca -0.08 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1grj n GLU 135 Cb 0.63 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1grj n GLU 135 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1grj n ASP 136 N 2.12 0.00 -4.63 1.62 9.92 0.10 -5.00 116.55 120.68 1grj n ASP 136 Ca 0.18 0.00 -0.51 0.00 -0.53 0.00 0.00 54.79 53.93 1grj n ASP 136 Cb 0.16 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.59 1grj n ASP 136 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1grj n ASP 137 N 0.77 2.13 -4.83 -2.24 8.00 -0.46 -4.63 116.55 115.30 1grj n ASP 137 Ca 0.00 1.10 -0.37 0.00 0.71 0.00 0.00 54.79 56.23 1grj n ASP 137 Cb 0.00 -1.24 -0.06 0.00 -0.02 0.00 0.00 41.12 39.80 1grj n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1grj s VAL 138 N 1.19 5.28 -0.08 2.53 1.01 -1.26 -1.95 120.40 127.12 1grj s VAL 138 Ca 0.86 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1grj s VAL 138 Cb -0.90 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1grj s VAL 138 CO 0.48 0.56 -0.06 0.68 0.00 0.00 0.00 175.10 176.76 1grj s VAL 139 N -0.74 0.80 -0.20 2.92 -7.23 -0.14 -4.98 120.40 110.83 1grj s VAL 139 Ca 0.18 -0.19 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1grj s VAL 139 Cb -0.14 -0.83 -0.21 0.00 0.56 0.00 0.00 36.38 35.76 1grj s VAL 139 CO 0.07 0.31 3.12 0.55 -0.31 0.00 0.00 175.10 178.85 1grj n VAL 140 N 4.63 2.75 0.94 1.32 3.14 -1.26 -1.84 118.33 128.01 1grj n VAL 140 Ca -0.15 -1.42 0.02 0.00 -2.96 0.00 0.00 64.34 59.82 1grj n VAL 140 Cb 0.50 -2.01 0.08 0.00 -1.06 0.00 0.00 33.84 31.36 1grj n VAL 140 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1grj n ILE 141 N 2.74 0.46 0.00 1.55 -5.35 -1.26 -4.79 119.36 112.71 1grj n ILE 141 Ca 0.41 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 1grj n ILE 141 Cb 0.71 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1grj n ILE 141 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1grj n VAL 148 N 0.08 0.00 -4.64 7.28 3.14 -1.26 -4.89 118.33 118.04 1grj n VAL 148 Ca 0.06 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.21 1grj n VAL 148 Cb 0.33 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.96 1grj n VAL 148 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1grj s GLU 149 N -0.41 1.33 0.16 1.45 2.02 -1.26 -4.91 118.70 117.09 1grj s GLU 149 Ca 0.00 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.58 1grj s GLU 149 Cb 0.00 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 1grj s GLU 149 CO 0.00 0.22 -0.15 -0.06 0.02 0.00 0.00 175.26 175.29 1grj s PHE 150 N -0.02 1.61 -0.08 1.61 0.40 -0.76 -2.07 117.98 118.67 1grj s PHE 150 Ca -0.01 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1grj s PHE 150 Cb -0.09 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1grj s PHE 150 CO 0.01 0.26 -0.13 -2.00 0.70 0.00 0.00 175.22 174.06 1grj s GLU 151 N -3.11 2.81 -0.78 0.44 2.12 0.18 -0.97 118.70 119.39 1grj s GLU 151 Ca 0.16 -0.68 -0.22 0.00 0.36 0.00 0.00 54.97 54.60 1grj s GLU 151 Cb -0.03 -2.48 0.09 0.00 0.26 0.00 0.00 34.13 31.96 1grj s GLU 151 CO 0.05 0.50 1.08 0.14 -0.54 0.00 0.00 175.26 176.48 1grj s VAL 152 N -0.39 4.38 0.43 3.70 -7.23 -0.82 -0.08 120.40 120.39 1grj s VAL 152 Ca 0.04 -0.75 0.12 0.00 -1.81 0.00 0.00 61.98 59.58 1grj s VAL 152 Cb -0.12 -4.76 0.20 0.00 0.56 0.00 0.00 36.38 32.25 1grj s VAL 152 CO 0.02 -1.54 2.00 0.40 -0.31 0.00 0.00 175.10 175.67 1grj h ILE 153 N 6.01 1.12 -1.52 -0.62 1.08 -1.13 0.30 117.51 122.76 1grj h ILE 153 Ca -0.10 -0.52 0.08 0.00 -0.39 0.00 0.00 64.86 63.93 1grj h ILE 153 Cb 1.05 1.11 -0.27 0.00 -3.07 0.00 0.00 36.82 35.64 1grj h ILE 153 CO 1.19 0.16 0.52 -0.75 -0.69 0.00 0.00 178.15 178.58 1grj s LYS 154 N -4.87 0.45 -0.17 2.37 2.47 -1.19 -4.84 119.74 113.96 1grj s LYS 154 Ca -0.05 0.49 0.01 0.00 -1.56 0.00 0.00 55.97 54.85 1grj s LYS 154 Cb 0.16 0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.77 1grj s LYS 154 CO 0.71 -0.06 -0.19 0.08 0.16 0.00 0.00 175.35 176.05 1grj s VAL 155 N 0.08 1.96 -0.03 4.02 1.01 -1.26 -1.95 120.40 124.23 1grj s VAL 155 Ca 0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1grj s VAL 155 Cb -0.05 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1grj s VAL 155 CO -0.07 0.52 -0.19 -0.70 0.00 0.00 0.00 175.10 174.67 1grj s GLU 156 N 1.32 1.74 -0.66 2.72 2.12 -0.60 -4.80 118.70 120.55 1grj s GLU 156 Ca 0.05 -0.66 -0.15 0.00 0.36 0.00 0.00 54.97 54.57 1grj s GLU 156 Cb -0.13 -1.58 0.17 0.00 0.26 0.00 0.00 34.13 32.85 1grj s GLU 156 CO -0.12 0.33 0.60 0.71 -0.54 0.00 0.00 175.26 176.23 1grj s TYR 157 N -0.18 3.47 0.00 5.30 1.51 -1.26 -1.33 117.35 124.85 1grj s TYR 157 Ca 0.01 -1.62 0.00 0.00 -1.01 0.00 0.00 57.07 54.44 1grj s TYR 157 Cb -0.10 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 37.97 1grj s TYR 157 CO 0.01 -1.00 0.29 1.28 -1.11 0.00 0.00 175.55 175.02