#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grj s HIS -1 N 0.00 3.67 0.00 4.41 0.00 -1.26 -4.86 115.29 117.25 2grj s HIS -1 Ca 0.00 1.57 0.00 0.00 -3.00 0.00 0.00 55.06 53.63 2grj s HIS -1 Cb 0.00 -2.99 0.00 0.00 -4.00 0.00 0.00 32.58 25.59 2grj s HIS -1 CO 0.00 0.09 0.00 -2.39 -1.00 0.00 0.00 174.74 171.44 2grj n HIS 0 N 3.55 0.00 -3.55 0.38 -0.00 -1.26 -1.48 115.22 112.85 2grj n HIS 0 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2grj n HIS 0 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.45 2grj n HIS 0 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2grj s VAL 2 N 0.22 -0.41 -0.16 0.61 1.01 -1.26 -4.90 120.40 115.50 2grj s VAL 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2grj s VAL 2 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2grj s VAL 2 CO 0.00 0.00 -0.20 -0.63 0.00 0.00 0.00 175.10 174.27 2grj s ILE 3 N 2.15 2.00 0.05 2.22 1.01 -0.05 -0.41 121.20 128.18 2grj s ILE 3 Ca -0.06 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 2grj s ILE 3 Cb -0.07 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 2grj s ILE 3 CO -0.17 0.53 0.71 -0.83 0.00 0.00 0.00 174.94 175.18 2grj s GLY 4 N 1.17 2.76 -0.23 6.18 0.00 -0.07 -0.85 107.32 116.28 2grj s GLY 4 Ca 0.01 0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.97 2grj s GLY 4 CO -0.09 0.93 -0.14 0.14 0.00 0.00 0.00 173.10 173.94 2grj s VAL 5 N -0.33 2.08 0.22 1.40 1.01 -0.41 0.22 120.40 124.59 2grj s VAL 5 Ca 0.36 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2grj s VAL 5 Cb -0.20 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2grj s VAL 5 CO 0.22 0.18 0.06 1.07 0.00 0.00 0.00 175.10 176.63 2grj n THR 6 N 4.52 0.00 0.00 3.92 5.66 -0.17 -1.51 114.28 126.70 2grj n THR 6 Ca -0.16 -1.23 0.00 0.00 -3.05 0.00 0.00 64.05 59.61 2grj n THR 6 Cb 0.45 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 2grj n THR 6 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2grj n GLY 7 N 0.93 4.04 3.60 1.09 0.00 -1.26 -1.08 105.19 112.51 2grj n GLY 7 Ca -0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 2grj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grj s LYS 8 N -3.05 0.09 0.23 1.61 1.02 -1.26 -4.41 119.74 113.97 2grj s LYS 8 Ca 0.00 0.90 -0.31 0.00 0.02 0.00 0.00 55.97 56.57 2grj s LYS 8 Cb 0.00 -1.67 -0.13 0.00 -0.52 0.00 0.00 37.83 35.51 2grj s LYS 8 CO 0.00 -3.06 1.41 1.51 -0.92 0.00 0.00 175.35 174.29 2grj n ILE 9 N -4.46 0.89 -0.95 2.17 3.06 -1.26 -2.90 119.36 115.91 2grj n ILE 9 Ca 0.06 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 2grj n ILE 9 Cb 0.55 -1.46 0.00 0.00 0.54 0.00 0.00 39.64 39.26 2grj n ILE 9 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2grj n GLY 10 N 2.22 0.84 0.09 4.50 0.00 -1.26 -4.90 105.19 106.68 2grj n GLY 10 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 2grj n GLY 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2grj h THR 11 N 0.00 1.61 0.00 2.61 1.35 -1.87 -3.43 112.91 113.19 2grj h THR 11 Ca 0.00 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 2grj h THR 11 Cb 0.01 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2grj h THR 11 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2grj n GLY 12 N 0.98 0.84 0.20 5.82 0.00 -1.26 -4.68 105.19 107.10 2grj n GLY 12 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2grj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2grj h LYS 13 N 0.00 -0.19 -0.46 1.61 1.57 -1.88 0.10 116.57 117.33 2grj h LYS 13 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2grj h LYS 13 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2grj h LYS 13 CO 0.00 -0.12 0.26 0.77 -0.57 0.00 0.00 179.45 179.79 2grj h SER 14 N -0.19 0.55 -0.03 0.86 0.02 -1.97 0.27 113.55 113.05 2grj h SER 14 Ca 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2grj h SER 14 Cb 0.34 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2grj h SER 14 CO -0.25 0.44 -0.05 0.74 -1.14 0.00 0.00 176.83 176.56 2grj h THR 15 N 0.63 1.43 -0.27 -2.27 2.02 -1.85 -0.64 112.91 111.95 2grj h THR 15 Ca 0.16 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 66.05 2grj h THR 15 Cb 0.00 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2grj h THR 15 CO -0.03 0.36 -0.06 0.58 0.37 0.00 0.00 175.52 176.74 2grj h VAL 16 N -0.43 0.74 -0.81 3.16 2.07 -0.63 -2.08 116.25 118.26 2grj h VAL 16 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2grj h VAL 16 Cb 0.61 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2grj h VAL 16 CO 0.01 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.06 2grj h GLU 18 N 1.12 1.10 0.06 0.00 4.39 -0.80 0.37 114.58 120.82 2grj h GLU 18 Ca 0.29 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 2grj h GLU 18 Cb -0.00 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 2grj h GLU 18 CO -0.05 0.73 -0.03 0.82 -1.16 0.00 0.00 179.01 179.32 2grj h ILE 19 N 1.13 1.05 -1.00 3.13 2.04 -0.61 -0.50 117.51 122.75 2grj h ILE 19 Ca 0.34 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2grj h ILE 19 Cb -0.04 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 2grj h ILE 19 CO -0.10 0.09 0.64 -0.07 0.00 0.00 0.00 178.15 178.71 2grj h LEU 20 N -0.25 0.99 -0.21 1.44 3.38 -0.92 0.37 115.31 120.12 2grj h LEU 20 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2grj h LEU 20 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2grj h LEU 20 CO 0.01 0.58 -0.06 0.50 0.09 0.00 0.00 178.44 179.56 2grj h LYS 21 N 1.09 0.41 0.15 1.13 3.64 -0.74 -1.06 116.57 121.20 2grj h LYS 21 Ca 0.46 -0.16 -0.27 0.00 -1.27 0.00 0.00 60.65 59.41 2grj h LYS 21 Cb 0.32 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2grj h LYS 21 CO -0.22 0.67 -1.17 -0.91 -2.27 0.00 0.00 179.45 175.56 2grj h ASN 22 N 0.13 0.76 0.13 4.20 2.35 -0.68 -2.94 115.58 119.53 2grj h ASN 22 Ca 0.05 -0.87 -0.37 0.00 -0.55 0.00 0.00 56.30 54.57 2grj h ASN 22 Cb 0.53 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2grj h ASN 22 CO 0.02 1.56 -2.02 0.29 -1.65 0.00 0.00 177.43 175.64 2grj n LYS 23 N -3.88 0.75 0.00 0.81 5.02 0.13 -4.51 118.16 116.48 2grj n LYS 23 Ca -0.14 0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.47 2grj n LYS 23 Cb 0.96 -1.70 0.05 0.00 -0.02 0.00 0.00 35.03 34.32 2grj n LYS 23 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2grj n TYR 24 N -3.46 0.00 -1.41 2.13 4.02 -0.55 -4.99 117.16 112.90 2grj n TYR 24 Ca -0.32 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.50 2grj n TYR 24 Cb 1.05 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.34 2grj n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2grj n GLY 25 N 0.80 0.74 3.76 2.72 0.00 -0.57 -4.93 105.19 107.71 2grj n GLY 25 Ca 0.08 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 2grj n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2grj s ALA 26 N -2.29 3.07 -0.41 4.61 0.00 -0.51 -4.70 121.76 121.53 2grj s ALA 26 Ca 0.00 1.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 2grj s ALA 26 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2grj s ALA 26 CO 0.00 -0.98 0.69 -1.58 0.00 0.00 0.00 175.76 173.89 2grj s HIS 27 N -1.33 3.08 -0.24 0.00 2.46 -0.03 -4.45 115.29 114.78 2grj s HIS 27 Ca 0.63 0.19 -0.17 0.00 0.47 0.00 0.00 55.06 56.18 2grj s HIS 27 Cb -0.37 -3.36 -0.03 0.00 -0.13 0.00 0.00 32.58 28.69 2grj s HIS 27 CO 0.46 -0.80 0.48 0.08 -2.47 0.00 0.00 174.74 172.49 2grj s VAL 28 N 2.92 5.10 -0.59 0.89 1.01 -1.26 -0.69 120.40 127.79 2grj s VAL 28 Ca 0.26 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 2grj s VAL 28 Cb -0.14 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.55 2grj s VAL 28 CO 0.18 0.13 0.65 -0.69 0.00 0.00 0.00 175.10 175.38 2grj s VAL 29 N 2.03 4.94 -0.70 2.92 1.01 0.11 -4.95 120.40 125.76 2grj s VAL 29 Ca 0.21 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2grj s VAL 29 Cb -0.15 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2grj s VAL 29 CO 0.09 -1.06 1.38 0.21 0.00 0.00 0.00 175.10 175.72 2grj s ASN 30 N 3.60 6.03 0.36 3.32 3.84 -1.26 -1.53 114.94 129.30 2grj s ASN 30 Ca 0.09 -0.23 0.12 0.00 0.21 0.00 0.00 52.86 53.05 2grj s ASN 30 Cb -0.25 -2.55 0.70 0.00 -0.55 0.00 0.00 41.25 38.59 2grj s ASN 30 CO 0.05 -1.89 1.82 0.58 -2.79 0.00 0.00 177.10 174.87 2grj h VAL 31 N 6.20 1.26 -0.25 -5.21 2.07 -1.82 -2.60 116.25 115.91 2grj h VAL 31 Ca -0.27 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 2grj h VAL 31 Cb 1.07 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2grj h VAL 31 CO 1.26 0.36 0.15 0.44 0.02 0.00 0.00 177.57 179.80 2grj h ASP 32 N 0.04 0.31 -0.85 0.57 3.32 -1.89 -1.29 116.42 116.62 2grj h ASP 32 Ca 0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2grj h ASP 32 Cb 0.65 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2grj h ASP 32 CO 0.05 0.28 0.52 -0.09 -1.72 0.00 0.00 179.24 178.28 2grj h ARG 33 N 0.31 1.15 -0.79 3.56 9.65 -1.89 -1.22 114.38 125.15 2grj h ARG 33 Ca 0.09 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2grj h ARG 33 Cb 0.03 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.33 2grj h ARG 33 CO -0.02 0.80 0.51 0.82 2.80 0.00 0.00 179.97 184.88 2grj h ILE 34 N 1.17 1.21 -0.45 1.20 2.04 -1.23 -1.01 117.51 120.44 2grj h ILE 34 Ca 0.31 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2grj h ILE 34 Cb -0.07 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.01 2grj h ILE 34 CO -0.06 0.20 0.09 1.23 0.00 0.00 0.00 178.15 179.61 2grj h GLY 35 N 1.08 0.54 1.49 5.37 0.00 -0.18 -1.29 103.07 110.09 2grj h GLY 35 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2grj h GLY 35 CO -0.06 -0.05 0.26 0.45 0.00 0.00 0.00 176.54 177.13 2grj h HIS 36 N 0.22 0.65 -0.30 5.60 3.86 -0.09 -0.55 115.15 124.54 2grj h HIS 36 Ca 0.22 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.24 2grj h HIS 36 Cb 0.28 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2grj h HIS 36 CO -0.22 0.46 -0.52 0.93 0.86 0.00 0.00 177.93 179.45 2grj h GLU 37 N 0.67 0.87 -0.68 2.45 5.08 -1.05 -3.15 114.58 118.77 2grj h GLU 37 Ca 0.17 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2grj h GLU 37 Cb 0.03 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2grj h GLU 37 CO -0.03 1.18 0.32 0.28 -1.00 0.00 0.00 179.01 179.76 2grj h VAL 38 N 0.66 1.23 -0.69 3.13 2.07 -0.58 -2.82 116.25 119.25 2grj h VAL 38 Ca 0.02 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 67.00 2grj h VAL 38 Cb 1.13 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 2grj h VAL 38 CO 0.12 0.27 0.27 -0.07 0.02 0.00 0.00 177.57 178.18 2grj h LEU 39 N 0.94 0.28 -1.66 2.57 3.38 -1.10 0.60 115.31 120.32 2grj h LEU 39 Ca 0.23 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2grj h LEU 39 Cb 0.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2grj h LEU 39 CO -0.03 0.14 -0.19 -0.33 0.09 0.00 0.00 178.44 178.12 2grj h GLU 40 N 0.45 0.00 0.00 1.13 4.39 -1.47 -2.43 114.58 116.65 2grj h GLU 40 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2grj h GLU 40 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2grj h GLU 40 CO -0.35 0.19 0.00 0.93 -1.16 0.00 0.00 179.01 178.62 2grj h GLU 41 N 0.00 0.00 -0.03 2.33 5.08 -0.72 -3.28 114.58 117.96 2grj h GLU 41 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2grj h GLU 41 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2grj h GLU 41 CO 0.02 0.00 -0.39 1.33 -1.00 0.00 0.00 179.01 178.97 2grj n VAL 42 N -2.63 2.19 -0.31 3.13 0.24 -0.93 -4.82 118.33 115.19 2grj n VAL 42 Ca 0.04 -3.06 0.02 0.00 -2.04 0.00 0.00 64.34 59.30 2grj n VAL 42 Cb 0.39 -0.25 0.09 0.00 -1.47 0.00 0.00 33.84 32.61 2grj n VAL 42 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2grj h LYS 43 N 0.86 -0.02 -0.59 7.34 1.57 -1.59 -1.07 116.57 123.07 2grj h LYS 43 Ca 0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2grj h LYS 43 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 2grj h LYS 43 CO 0.03 -0.01 0.11 0.93 -0.57 0.00 0.00 179.45 179.94 2grj h GLU 44 N -0.02 0.97 -0.23 3.15 5.08 -1.91 -1.88 114.58 119.75 2grj h GLU 44 Ca 0.39 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2grj h GLU 44 Cb 0.63 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2grj h GLU 44 CO -0.89 0.91 -0.32 0.87 -1.00 0.00 0.00 179.01 178.58 2grj h LYS 45 N 0.87 0.46 -0.61 2.33 1.57 -1.69 -1.51 116.57 117.98 2grj h LYS 45 Ca 0.18 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2grj h LYS 45 Cb 0.40 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2grj h LYS 45 CO 0.01 0.73 0.26 -0.07 -0.57 0.00 0.00 179.45 179.80 2grj h LEU 46 N 0.40 0.83 -0.36 2.94 3.38 -0.92 -1.26 115.31 120.32 2grj h LEU 46 Ca 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2grj h LEU 46 Cb 0.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2grj h LEU 46 CO 0.06 0.76 0.12 0.58 0.09 0.00 0.00 178.44 180.05 2grj h VAL 47 N 0.85 1.21 -0.88 1.22 2.07 -1.14 0.16 116.25 119.72 2grj h VAL 47 Ca 0.21 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.19 2grj h VAL 47 Cb 0.18 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2grj h VAL 47 CO -0.02 0.23 0.51 -0.33 0.02 0.00 0.00 177.57 177.98 2grj h GLU 48 N 0.42 0.76 0.13 1.57 5.08 -1.11 0.96 114.58 122.38 2grj h GLU 48 Ca 0.12 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 2grj h GLU 48 Cb 0.24 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.34 2grj h GLU 48 CO -0.00 0.50 -0.78 -0.07 -1.00 0.00 0.00 179.01 177.66 2grj h LEU 49 N 0.78 0.47 -1.35 1.33 3.38 -0.88 -3.41 115.31 115.62 2grj h LEU 49 Ca 0.45 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2grj h LEU 49 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2grj h LEU 49 CO -0.30 1.37 0.00 0.49 0.09 0.00 0.00 178.44 180.09 2grj n PHE 50 N -4.14 0.01 0.00 1.13 3.72 0.51 -5.10 117.46 113.59 2grj n PHE 50 Ca -0.13 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2grj n PHE 50 Cb 0.80 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 2grj n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2grj n GLY 51 N -0.03 -0.96 0.30 1.37 0.00 0.32 -4.57 105.19 101.63 2grj n GLY 51 Ca 0.01 -1.66 0.19 0.00 0.00 0.00 0.00 46.02 44.56 2grj n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2grj h GLY 52 N 0.00 0.00 1.24 -0.02 0.00 -1.92 -3.21 103.07 99.15 2grj h GLY 52 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2grj h GLY 52 CO 0.00 0.00 0.37 1.48 0.00 0.00 0.00 176.54 178.39 2grj h SER 53 N 0.00 0.00 -0.05 0.19 4.64 -1.96 -2.33 113.55 114.04 2grj h SER 53 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grj h SER 53 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2grj h SER 53 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2grj n VAL 54 N -2.92 0.05 -4.99 0.95 0.24 -1.21 -4.81 118.33 105.63 2grj n VAL 54 Ca -0.01 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 2grj n VAL 54 Cb 0.42 0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.79 2grj n VAL 54 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2grj s LEU 55 N -1.84 2.19 0.00 1.34 1.43 -0.88 -1.35 118.68 119.57 2grj s LEU 55 Ca 0.38 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2grj s LEU 55 Cb 0.19 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2grj s LEU 55 CO 0.31 0.28 0.00 -1.84 0.23 0.00 0.00 176.35 175.33 2grj n GLU 56 N 1.95 0.00 0.00 1.70 -0.00 -0.98 -4.85 120.64 118.46 2grj n GLU 56 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2grj n GLU 56 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2grj n GLU 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2grj n ASP 57 N -0.56 0.00 -1.13 -1.84 3.85 -1.26 -4.82 116.55 110.80 2grj n ASP 57 Ca 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.16 2grj n ASP 57 Cb 0.00 0.00 0.27 0.00 -1.35 0.00 0.00 41.12 40.04 2grj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2grj n GLY 58 N 4.00 3.12 3.80 6.12 0.00 -1.26 -5.04 105.19 115.93 2grj n GLY 58 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2grj n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2grj s LYS 59 N -1.88 2.46 -0.17 1.61 -2.85 -1.26 -5.09 119.74 112.56 2grj s LYS 59 Ca 0.41 -1.54 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 2grj s LYS 59 Cb 0.27 -2.26 -0.00 0.00 -2.06 0.00 0.00 37.83 33.78 2grj s LYS 59 CO 0.18 -0.02 1.08 0.08 0.10 0.00 0.00 175.35 176.77 2grj s VAL 60 N -2.44 4.61 -0.58 1.79 1.01 -1.26 -2.31 120.40 121.22 2grj s VAL 60 Ca 0.42 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 64.11 2grj s VAL 60 Cb -0.02 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.19 2grj s VAL 60 CO 0.25 -0.11 0.81 0.21 0.00 0.00 0.00 175.10 176.26 2grj s ASN 61 N 1.32 6.23 0.37 3.32 3.84 -0.46 -4.88 114.94 124.67 2grj s ASN 61 Ca 0.48 -0.91 0.12 0.00 0.21 0.00 0.00 52.86 52.76 2grj s ASN 61 Cb -0.18 -2.36 0.71 0.00 -0.55 0.00 0.00 41.25 38.88 2grj s ASN 61 CO 0.12 -1.17 1.83 0.03 -2.79 0.00 0.00 177.10 175.12 2grj h ARG 62 N 9.26 0.02 -0.13 0.43 3.08 -1.94 -1.58 114.38 123.52 2grj h ARG 62 Ca -0.28 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2grj h ARG 62 Cb 1.08 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2grj h ARG 62 CO 1.08 0.38 0.05 0.87 -1.07 0.00 0.00 179.97 181.28 2grj h LYS 63 N 0.01 0.20 -0.84 0.04 1.57 -1.98 0.14 116.57 115.71 2grj h LYS 63 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2grj h LYS 63 Cb 0.65 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 2grj h LYS 63 CO 0.05 0.31 0.43 0.87 -0.57 0.00 0.00 179.45 180.54 2grj h LYS 64 N 0.05 1.20 -0.32 3.15 6.56 -1.85 -0.96 116.57 124.40 2grj h LYS 64 Ca 0.04 -0.16 -0.14 0.00 -1.06 0.00 0.00 60.65 59.34 2grj h LYS 64 Cb 0.19 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2grj h LYS 64 CO -0.00 0.90 -0.33 1.25 -2.06 0.00 0.00 179.45 179.20 2grj h LEU 65 N 1.19 0.84 -0.63 2.94 5.85 -1.11 -2.70 115.31 121.68 2grj h LEU 65 Ca 0.29 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2grj h LEU 65 Cb 0.08 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2grj h LEU 65 CO -0.04 1.14 0.33 0.00 -0.34 0.00 0.00 178.44 179.54 2grj h ALA 66 N 0.72 0.84 -0.93 1.25 0.00 -0.59 -0.20 119.26 120.36 2grj h ALA 66 Ca 0.05 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.17 2grj h ALA 66 Cb 0.92 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2grj h ALA 66 CO 0.08 -0.01 0.60 0.78 0.00 0.00 0.00 179.25 180.70 2grj h GLY 67 N 0.61 1.14 0.00 0.00 0.00 -0.88 -0.41 103.07 103.53 2grj h GLY 67 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2grj h GLY 67 CO -0.20 0.00 -0.12 -2.22 0.00 0.00 0.00 176.54 174.01 2grj h ILE 68 N 0.55 0.70 -0.00 2.60 2.04 -1.10 -3.37 117.51 118.93 2grj h ILE 68 Ca 0.49 -1.56 -0.14 0.00 1.00 0.00 0.00 64.86 64.65 2grj h ILE 68 Cb 1.02 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2grj h ILE 68 CO -0.23 0.24 -0.65 -0.37 0.00 0.00 0.00 178.15 177.14 2grj h VAL 69 N -1.00 1.46 -0.23 1.67 -1.51 -0.85 -2.86 116.25 112.93 2grj h VAL 69 Ca -0.02 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.23 2grj h VAL 69 Cb 0.48 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2grj h VAL 69 CO -0.01 0.64 0.00 0.49 -1.23 0.00 0.00 177.57 177.45 2grj n PHE 70 N -3.77 0.62 0.76 5.19 3.72 -0.18 -3.01 117.46 120.79 2grj n PHE 70 Ca -0.01 -0.24 0.10 0.00 -0.05 0.00 0.00 57.45 57.25 2grj n PHE 70 Cb 0.64 -0.16 -0.12 0.00 -0.94 0.00 0.00 39.48 38.90 2grj n PHE 70 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2grj n GLU 71 N 0.26 0.46 -3.72 -1.08 4.71 -1.08 -4.99 120.64 115.20 2grj n GLU 71 Ca 0.10 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.16 57.10 2grj n GLU 71 Cb 0.47 -1.45 -0.11 0.00 -1.01 0.00 0.00 31.44 29.34 2grj n GLU 71 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2grj s SER 72 N -3.16 -0.44 0.28 1.62 0.15 -1.16 -5.03 113.70 105.95 2grj s SER 72 Ca 0.05 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.52 2grj s SER 72 Cb 0.15 0.73 0.42 0.00 -1.71 0.00 0.00 66.02 65.60 2grj s SER 72 CO 0.83 -0.17 1.73 0.03 1.20 0.00 0.00 173.24 176.86 2grj h ARG 73 N 6.57 0.49 -0.31 5.44 2.47 -1.95 -2.13 114.38 124.96 2grj h ARG 73 Ca -0.34 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2grj h ARG 73 Cb 1.18 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 2grj h ARG 73 CO 0.30 0.69 0.19 0.93 0.56 0.00 0.00 179.97 182.63 2grj h GLU 74 N 0.44 0.42 -0.45 0.04 3.07 -1.96 -1.03 114.58 115.11 2grj h GLU 74 Ca 0.07 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 2grj h GLU 74 Cb 0.65 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2grj h GLU 74 CO 0.05 0.33 -0.06 -0.91 -1.40 0.00 0.00 179.01 177.01 2grj h ASN 75 N 0.40 0.83 -0.82 1.42 2.35 -1.82 -2.20 115.58 115.74 2grj h ASN 75 Ca 0.11 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 2grj h ASN 75 Cb 0.01 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 2grj h ASN 75 CO -0.02 0.97 0.49 0.25 -1.65 0.00 0.00 177.43 177.47 2grj h LEU 76 N 0.67 0.99 -0.84 1.61 5.85 -1.30 -2.25 115.31 120.03 2grj h LEU 76 Ca 0.12 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2grj h LEU 76 Cb 0.59 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2grj h LEU 76 CO 0.04 0.76 0.37 0.11 -0.34 0.00 0.00 178.44 179.38 2grj h LYS 77 N 1.12 1.22 -0.59 1.25 6.56 -0.94 -0.49 116.57 124.70 2grj h LYS 77 Ca 0.29 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2grj h LYS 77 Cb -0.04 -0.21 -0.03 0.00 -0.57 0.00 0.00 32.23 31.39 2grj h LYS 77 CO -0.05 0.96 0.37 0.87 -2.06 0.00 0.00 179.45 179.53 2grj h LYS 78 N 1.19 0.79 -0.31 3.15 1.57 -0.92 -0.49 116.57 121.55 2grj h LYS 78 Ca 0.28 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2grj h LYS 78 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2grj h LYS 78 CO -0.03 0.54 0.03 1.25 -0.57 0.00 0.00 179.45 180.67 2grj h LEU 79 N 0.80 0.52 -0.54 2.94 5.85 -1.04 -2.74 115.31 121.10 2grj h LEU 79 Ca 0.21 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2grj h LEU 79 Cb -0.06 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2grj h LEU 79 CO -0.04 0.67 0.31 -0.33 -0.34 0.00 0.00 178.44 178.71 2grj h GLU 80 N 0.35 0.58 -0.31 1.25 5.08 -0.86 -1.18 114.58 119.49 2grj h GLU 80 Ca 0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2grj h GLU 80 Cb 0.39 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2grj h GLU 80 CO 0.01 0.39 0.21 -0.07 -1.00 0.00 0.00 179.01 178.55 2grj h LEU 81 N 0.60 0.32 0.00 1.33 3.38 -1.02 -1.24 115.31 118.67 2grj h LEU 81 Ca 0.23 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 2grj h LEU 81 Cb 0.07 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2grj h LEU 81 CO -0.12 0.22 -0.58 0.25 0.09 0.00 0.00 178.44 178.30 2grj h LEU 82 N 0.37 0.51 0.00 1.67 5.85 -1.00 -3.42 115.31 119.29 2grj h LEU 82 Ca 0.12 -0.76 -0.36 0.00 0.84 0.00 0.00 57.88 57.71 2grj h LEU 82 Cb 0.03 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 2grj h LEU 82 CO -0.03 1.21 -2.37 1.33 -0.34 0.00 0.00 178.44 178.24 2grj n VAL 83 N -4.24 1.37 -0.31 1.05 0.24 -0.54 -4.57 118.33 111.34 2grj n VAL 83 Ca -0.10 -0.82 -0.02 0.00 -2.04 0.00 0.00 64.34 61.35 2grj n VAL 83 Cb 0.66 -0.54 0.10 0.00 -1.47 0.00 0.00 33.84 32.60 2grj n VAL 83 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2grj h HIS 84 N 0.00 1.03 -0.62 6.34 3.86 -1.45 -2.78 115.15 121.53 2grj h HIS 84 Ca -0.54 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 58.67 2grj h HIS 84 Cb 2.20 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 30.30 2grj h HIS 84 CO 0.00 0.60 0.29 -1.35 0.86 0.00 0.00 177.93 178.34 2grj h PRO 85 N 1.08 0.90 -1.66 2.45 0.11 -1.80 -0.60 132.00 132.47 2grj h PRO 85 Ca 0.33 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2grj h PRO 85 Cb -0.02 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2grj h PRO 85 CO -0.11 0.73 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 2grj n LEU 86 N -4.49 0.90 0.00 2.35 4.32 -1.05 -1.97 117.00 117.06 2grj n LEU 86 Ca 0.04 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.58 2grj n LEU 86 Cb 0.13 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2grj n LEU 86 CO 0.38 0.15 0.00 1.17 -1.22 0.00 0.00 177.39 177.87 2grj n LYS 88 N 0.84 0.00 -0.31 3.23 4.81 -0.23 -2.25 118.16 124.24 2grj n LYS 88 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 2grj n LYS 88 Cb 0.15 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.36 2grj n LYS 88 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2grj h LYS 89 N 0.00 0.90 -0.30 1.64 6.56 -1.65 -0.30 116.57 123.41 2grj h LYS 89 Ca 0.00 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.37 2grj h LYS 89 Cb 0.00 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.45 2grj h LYS 89 CO 0.00 0.59 -0.49 -0.09 -2.06 0.00 0.00 179.45 177.40 2grj h ARG 90 N 0.92 0.82 -0.10 3.15 9.65 -1.73 -0.69 114.38 126.40 2grj h ARG 90 Ca 0.39 -0.48 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2grj h ARG 90 Cb 0.25 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2grj h ARG 90 CO -0.20 1.12 0.04 0.28 2.80 0.00 0.00 179.97 184.01 2grj h VAL 91 N 0.64 1.13 -0.80 0.20 2.07 -1.72 -2.32 116.25 115.45 2grj h VAL 91 Ca 0.03 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.28 2grj h VAL 91 Cb 1.08 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 2grj h VAL 91 CO 0.11 0.11 0.41 -0.61 0.02 0.00 0.00 177.57 177.62 2grj h GLN 92 N 0.02 0.63 -0.63 1.57 5.75 -0.87 -1.04 115.11 120.54 2grj h GLN 92 Ca 0.03 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2grj h GLN 92 Cb 0.14 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2grj h GLN 92 CO -0.00 0.42 0.36 0.93 -2.65 0.00 0.00 178.83 177.88 2grj h GLU 93 N 0.65 0.88 -0.25 1.69 3.07 -0.95 -1.43 114.58 118.24 2grj h GLU 93 Ca 0.41 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2grj h GLU 93 Cb 0.49 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2grj h GLU 93 CO -0.31 0.65 0.05 0.82 -1.40 0.00 0.00 179.01 178.83 2grj h ILE 94 N 0.86 1.22 -0.68 3.13 2.04 -0.80 -2.61 117.51 120.66 2grj h ILE 94 Ca 0.22 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2grj h ILE 94 Cb 0.03 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2grj h ILE 94 CO -0.04 0.23 0.35 0.40 0.00 0.00 0.00 178.15 179.09 2grj h ILE 95 N 0.22 0.89 -0.07 -0.67 2.04 -1.09 -2.29 117.51 116.54 2grj h ILE 95 Ca 0.08 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2grj h ILE 95 Cb 0.29 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2grj h ILE 95 CO 0.00 0.11 -0.10 0.78 0.00 0.00 0.00 178.15 178.95 2grj h ASN 96 N 0.61 0.10 -0.67 1.72 2.35 -1.05 -3.09 115.58 115.56 2grj h ASN 96 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2grj h ASN 96 Cb 0.30 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2grj h ASN 96 CO -0.24 0.21 0.00 0.29 -1.65 0.00 0.00 177.43 176.05 2grj n LYS 97 N -4.36 3.10 -4.40 0.81 5.02 -0.90 -4.86 118.16 112.57 2grj n LYS 97 Ca -0.02 -2.70 -0.22 0.00 -2.02 0.00 0.00 58.31 53.36 2grj n LYS 97 Cb 0.21 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 33.39 2grj n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2grj s THR 98 N -1.33 0.84 0.29 -0.18 2.01 -1.00 -5.07 115.64 111.21 2grj s THR 98 Ca 0.48 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.20 2grj s THR 98 Cb 0.27 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2grj s THR 98 CO 0.28 0.28 0.32 -0.44 -0.69 0.00 0.00 174.62 174.38 2grj s SER 99 N 0.55 5.76 0.00 3.53 0.01 -1.26 -4.69 113.70 117.59 2grj s SER 99 Ca -0.10 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2grj s SER 99 Cb -0.13 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2grj s SER 99 CO 0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2grj n GLY 100 N -1.39 -0.53 3.66 3.44 0.00 -0.55 -4.80 105.19 105.02 2grj n GLY 100 Ca -0.05 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2grj n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2grj s LEU 101 N 0.00 4.14 -0.09 0.99 2.96 -1.26 -4.41 118.68 121.01 2grj s LEU 101 Ca 0.00 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 2grj s LEU 101 Cb 0.00 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 2grj s LEU 101 CO 0.00 -0.47 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.73 2grj s ILE 102 N 2.47 2.47 -0.15 6.68 1.01 -1.26 -0.85 121.20 131.57 2grj s ILE 102 Ca 0.38 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2grj s ILE 102 Cb -0.16 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2grj s ILE 102 CO 0.10 0.56 -0.19 -0.69 0.00 0.00 0.00 174.94 174.72 2grj s VAL 103 N 0.08 2.34 -0.49 2.92 1.01 0.13 -0.87 120.40 125.53 2grj s VAL 103 Ca -0.09 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2grj s VAL 103 Cb -0.15 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.36 2grj s VAL 103 CO 0.06 0.53 0.41 -0.63 0.00 0.00 0.00 175.10 175.47 2grj s ILE 104 N 0.81 4.99 -0.43 2.22 1.01 -0.03 0.07 121.20 129.84 2grj s ILE 104 Ca -0.06 -1.33 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 2grj s ILE 104 Cb -0.15 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.24 2grj s ILE 104 CO -0.01 -0.69 0.69 -0.70 0.00 0.00 0.00 174.94 174.23 2grj s GLU 105 N 1.57 3.35 -0.30 2.79 2.12 -0.58 -1.29 118.70 126.36 2grj s GLU 105 Ca 0.04 -0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.05 2grj s GLU 105 Cb -0.26 -3.93 0.15 0.00 0.26 0.00 0.00 34.13 30.35 2grj s GLU 105 CO 0.04 -1.02 0.65 0.00 -0.54 0.00 0.00 175.26 174.39 2grj s ALA 106 N 2.96 -2.17 0.28 6.30 0.00 -0.57 -2.11 121.76 126.45 2grj s ALA 106 Ca 0.25 2.15 0.03 0.00 0.00 0.00 0.00 51.96 54.38 2grj s ALA 106 Cb -0.13 -1.94 0.65 0.00 0.00 0.00 0.00 23.12 21.69 2grj s ALA 106 CO 0.20 -1.08 1.77 0.00 0.00 0.00 0.00 175.76 176.64 2grj h ALA 107 N 7.98 1.48 -0.87 0.00 0.00 -1.80 -2.25 119.26 123.80 2grj h ALA 107 Ca -0.20 0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 2grj h ALA 107 Cb 1.12 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.61 2grj h ALA 107 CO 0.15 -0.08 0.67 1.28 0.00 0.00 0.00 179.25 181.27 2grj n LEU 108 N -4.83 6.83 -0.18 0.00 4.77 -1.26 -4.27 117.00 118.06 2grj n LEU 108 Ca 0.21 -3.68 -0.03 0.00 -0.03 0.00 0.00 56.01 52.47 2grj n LEU 108 Cb 0.52 -0.89 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2grj n LEU 108 CO 0.21 1.19 0.73 0.25 -1.33 0.00 0.00 177.39 178.43 2grj h LEU 109 N 1.54 -0.64 -0.06 2.23 5.85 -1.77 -2.70 115.31 119.76 2grj h LEU 109 Ca 0.55 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 59.37 2grj h LEU 109 Cb 1.77 0.39 0.00 0.00 0.37 0.00 0.00 40.66 43.19 2grj h LEU 109 CO 1.18 -0.22 -0.26 0.50 -0.34 0.00 0.00 178.44 179.30 2grj h LYS 110 N -0.05 0.29 -1.97 1.25 3.64 -1.87 -0.99 116.57 116.87 2grj h LYS 110 Ca 0.26 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2grj h LYS 110 Cb 0.44 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2grj h LYS 110 CO -0.58 0.87 0.00 -2.13 -2.27 0.00 0.00 179.45 175.34 2grj n ARG 111 N -4.48 0.00 -0.46 1.90 0.63 -1.02 -4.54 116.66 108.69 2grj n ARG 111 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2grj n ARG 111 Cb 0.47 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2grj n ARG 111 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2grj n GLY 113 N 1.18 0.72 0.18 5.14 0.00 -1.17 -5.14 105.19 106.11 2grj n GLY 113 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2grj n GLY 113 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2grj h LEU 114 N 0.00 0.00 -2.00 0.99 3.38 -1.43 -3.17 115.31 113.08 2grj h LEU 114 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2grj h LEU 114 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2grj h LEU 114 CO 0.00 0.37 0.38 -2.24 0.09 0.00 0.00 178.44 177.03 2grj h ASP 115 N 0.00 0.00 0.42 -0.43 2.03 -1.79 -0.22 116.42 116.44 2grj h ASP 115 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2grj h ASP 115 Cb 1.05 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2grj h ASP 115 CO 0.05 0.00 -0.13 1.56 -1.03 0.00 0.00 179.24 179.69 2grj h GLN 116 N 0.00 0.00 -0.00 4.15 1.08 -1.88 -2.24 115.11 116.23 2grj h GLN 116 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2grj h GLN 116 Cb 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2grj h GLN 116 CO -0.00 0.13 -0.06 1.28 -0.95 0.00 0.00 178.83 179.23 2grj n LEU 117 N -3.62 0.22 -4.84 1.46 4.77 -0.09 -4.90 117.00 110.01 2grj n LEU 117 Ca -0.02 0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 2grj n LEU 117 Cb 0.26 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2grj n LEU 117 CO 0.30 0.04 -0.09 0.00 -1.33 0.00 0.00 177.39 176.32 2grj h ASP 119 N 5.26 0.73 -5.20 0.00 3.32 -1.04 -3.47 116.42 116.02 2grj h ASP 119 Ca -0.51 -0.56 -0.13 0.00 0.02 0.00 0.00 57.03 55.85 2grj h ASP 119 Cb 1.21 -0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 2grj h ASP 119 CO 0.62 1.35 -0.68 -1.00 -1.72 0.00 0.00 179.24 177.82 2grj s HIS 120 N -3.38 0.51 -0.05 4.55 3.76 -1.10 -5.05 115.29 114.53 2grj s HIS 120 Ca -0.08 -1.02 0.03 0.00 -0.15 0.00 0.00 55.06 53.84 2grj s HIS 120 Cb 0.08 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.40 2grj s HIS 120 CO 0.89 -0.36 -0.13 0.08 -0.85 0.00 0.00 174.74 174.37 2grj s VAL 121 N -3.71 1.16 -0.18 -0.90 1.01 -1.26 -0.89 120.40 115.63 2grj s VAL 121 Ca 0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2grj s VAL 121 Cb 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2grj s VAL 121 CO -0.09 0.35 0.04 -0.63 0.00 0.00 0.00 175.10 174.77 2grj s ILE 122 N 0.44 4.56 -0.21 2.22 1.01 0.13 -0.62 121.20 128.74 2grj s ILE 122 Ca -0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2grj s ILE 122 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2grj s ILE 122 CO 0.03 0.46 0.06 -0.89 0.00 0.00 0.00 174.94 174.60 2grj s THR 123 N 0.43 4.56 -0.13 2.92 2.01 -0.37 -1.00 115.64 124.07 2grj s THR 123 Ca 0.02 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 2grj s THR 123 Cb -0.13 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2grj s THR 123 CO 0.01 0.41 0.46 -0.69 -0.69 0.00 0.00 174.62 174.12 2grj s VAL 124 N 0.88 5.20 0.22 3.82 1.01 -0.24 -0.88 120.40 130.41 2grj s VAL 124 Ca 0.03 0.91 0.10 0.00 0.00 0.00 0.00 61.98 63.02 2grj s VAL 124 Cb -0.14 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2grj s VAL 124 CO 0.02 0.33 -0.18 0.68 0.00 0.00 0.00 175.10 175.95 2grj s VAL 125 N 0.64 2.07 -0.12 2.92 -7.23 -0.76 -4.17 120.40 113.75 2grj s VAL 125 Ca 0.25 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 2grj s VAL 125 Cb -0.15 -2.10 0.11 0.00 0.56 0.00 0.00 36.38 34.79 2grj s VAL 125 CO 0.09 -0.43 0.89 0.00 -0.31 0.00 0.00 175.10 175.34 2grj s ALA 126 N -2.52 -1.88 0.67 1.32 0.00 -1.26 -0.57 121.76 117.52 2grj s ALA 126 Ca 0.24 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.53 2grj s ALA 126 Cb -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2grj s ALA 126 CO 0.10 -0.33 1.15 -1.54 0.00 0.00 0.00 175.76 175.14 2grj s SER 127 N -1.14 4.86 0.26 0.00 1.04 -1.26 -4.80 113.70 112.66 2grj s SER 127 Ca -0.05 2.17 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 2grj s SER 127 Cb -0.00 -2.57 0.42 0.00 0.10 0.00 0.00 66.02 63.96 2grj s SER 127 CO 0.04 -1.81 1.84 -0.09 0.98 0.00 0.00 173.24 174.21 2grj h ARG 128 N 0.10 0.94 -0.62 4.02 2.43 -2.01 -0.53 114.38 118.71 2grj h ARG 128 Ca -0.48 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2grj h ARG 128 Cb 1.27 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 2grj h ARG 128 CO 0.53 0.63 0.36 0.93 -1.51 0.00 0.00 179.97 180.90 2grj h GLU 129 N 0.97 0.86 -0.41 0.20 3.07 -2.00 -1.41 114.58 115.86 2grj h GLU 129 Ca 0.42 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2grj h GLU 129 Cb 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2grj h GLU 129 CO -0.21 0.63 0.22 1.15 -1.40 0.00 0.00 179.01 179.40 2grj h THR 130 N 0.85 1.16 -0.16 1.13 2.02 -1.66 -2.46 112.91 113.79 2grj h THR 130 Ca 0.22 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2grj h THR 130 Cb 0.01 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2grj h THR 130 CO -0.04 0.16 0.05 0.40 0.37 0.00 0.00 175.52 176.47 2grj h ILE 131 N 0.53 0.96 -0.10 3.11 2.04 -0.85 -2.81 117.51 120.39 2grj h ILE 131 Ca 0.14 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.89 2grj h ILE 131 Cb 0.06 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2grj h ILE 131 CO -0.02 0.02 -0.26 -0.07 0.00 0.00 0.00 178.15 177.82 2grj h LEU 132 N 0.13 0.18 -1.31 1.44 3.38 -1.16 -1.30 115.31 116.67 2grj h LEU 132 Ca 0.07 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2grj h LEU 132 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2grj h LEU 132 CO -0.07 0.45 -0.09 0.50 0.09 0.00 0.00 178.44 179.33 2grj h LYS 133 N 0.17 0.36 0.00 1.13 3.64 -1.26 -1.99 116.57 118.61 2grj h LYS 133 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2grj h LYS 133 Cb 0.56 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2grj h LYS 133 CO 0.04 0.46 -0.75 0.00 -2.27 0.00 0.00 179.45 176.93 2grj h ARG 134 N 0.34 0.00 -1.29 1.90 3.08 -1.02 -3.42 114.38 113.98 2grj h ARG 134 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2grj h ARG 134 Cb 0.37 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.18 2grj h ARG 134 CO 0.02 0.00 -0.42 1.21 -1.07 0.00 0.00 179.97 179.71 2grj s ASN 135 N -5.26 -0.83 0.00 7.04 3.84 -0.73 -5.03 114.94 113.97 2grj s ASN 135 Ca 0.02 0.13 0.23 0.00 0.21 0.00 0.00 52.86 53.45 2grj s ASN 135 Cb 0.10 1.70 1.25 0.00 -0.55 0.00 0.00 41.25 43.75 2grj s ASN 135 CO 0.75 -0.31 1.77 -2.11 -2.79 0.00 0.00 177.10 174.41 2grj n ARG 136 N 5.40 0.47 -0.00 0.43 1.85 -0.76 -2.61 116.66 121.43 2grj n ARG 136 Ca 0.02 0.05 0.11 0.00 -1.00 0.00 0.00 57.85 57.02 2grj n ARG 136 Cb 0.52 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 2grj n ARG 136 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2grj n GLU 137 N -1.19 0.46 -0.19 2.89 0.00 -1.26 -4.35 120.64 117.00 2grj n GLU 137 Ca 0.13 -0.13 0.30 0.00 0.00 0.00 0.00 57.16 57.47 2grj n GLU 137 Cb 0.15 -1.53 0.69 0.00 0.00 0.00 0.00 31.44 30.75 2grj n GLU 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2grj h ALA 138 N 2.29 2.82 -0.82 -1.84 0.00 -1.86 -1.79 119.26 118.07 2grj h ALA 138 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2grj h ALA 138 Cb 0.85 0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2grj h ALA 138 CO 0.00 -1.33 -0.29 -3.47 0.00 0.00 0.00 179.25 174.16 2grj n ASP 139 N -3.82 -0.46 -0.16 0.00 2.03 -1.26 -1.27 116.55 111.61 2grj n ASP 139 Ca 0.20 1.42 -0.11 0.00 0.52 0.00 0.00 54.79 56.83 2grj n ASP 139 Cb 1.16 -0.35 -0.01 0.00 -0.72 0.00 0.00 41.12 41.20 2grj n ASP 139 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2grj h ARG 140 N 0.00 0.85 0.00 -0.67 2.43 -1.66 -3.32 114.38 112.01 2grj h ARG 140 Ca 0.31 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2grj h ARG 140 Cb 0.52 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2grj h ARG 140 CO -0.82 0.94 -1.14 0.54 -1.51 0.00 0.00 179.97 177.98 2grj n ARG 141 N -4.29 0.61 -0.01 0.20 1.74 -0.75 -3.78 116.66 110.38 2grj n ARG 141 Ca -0.00 0.14 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 2grj n ARG 141 Cb 0.36 -1.81 0.41 0.00 -1.02 0.00 0.00 32.46 30.39 2grj n ARG 141 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2grj h LEU 142 N 0.00 0.49 -2.27 0.55 3.38 -1.28 -2.00 115.31 114.18 2grj h LEU 142 Ca -0.05 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2grj h LEU 142 Cb 1.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2grj h LEU 142 CO 0.01 0.37 0.19 0.11 0.09 0.00 0.00 178.44 179.21 2grj h LYS 143 N 0.58 0.00 -0.54 1.13 1.79 -1.71 -0.18 116.57 117.64 2grj h LYS 143 Ca 0.16 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2grj h LYS 143 Cb -0.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 2grj h LYS 143 CO -0.03 0.00 0.05 1.19 -1.08 0.00 0.00 179.45 179.58 2grj n PHE 144 N -3.70 1.91 -0.53 -1.35 3.01 -0.75 -4.38 117.46 111.66 2grj n PHE 144 Ca 0.01 -0.87 0.01 0.00 1.01 0.00 0.00 57.45 57.61 2grj n PHE 144 Cb 0.30 -0.51 0.02 0.00 -0.01 0.00 0.00 39.48 39.28 2grj n PHE 144 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2grj n GLN 145 N 0.20 1.75 0.19 -1.08 6.02 -0.08 -4.81 117.38 119.57 2grj n GLN 145 Ca 0.29 -1.30 0.16 0.00 -0.01 0.00 0.00 57.00 56.14 2grj n GLN 145 Cb 1.17 -0.88 0.79 0.00 1.02 0.00 0.00 30.24 32.34 2grj n GLN 145 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2grj h GLU 146 N 0.00 0.00 -0.00 -1.09 3.07 -1.76 -0.79 114.58 114.01 2grj h GLU 146 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2grj h GLU 146 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2grj h GLU 146 CO 0.00 0.00 -0.03 -0.40 -1.40 0.00 0.00 179.01 177.18 2grj n ASP 147 N -4.01 0.50 -4.49 1.42 5.75 -1.26 -4.54 116.55 109.91 2grj n ASP 147 Ca 0.02 -0.97 -0.43 0.00 -0.01 0.00 0.00 54.79 53.39 2grj n ASP 147 Cb 0.31 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2grj n ASP 147 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2grj s ILE 148 N -2.15 4.45 0.22 2.12 1.01 -0.30 -4.95 121.20 121.59 2grj s ILE 148 Ca 0.40 -1.38 0.05 0.00 0.00 0.00 0.00 60.65 59.72 2grj s ILE 148 Cb 0.21 -4.90 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 2grj s ILE 148 CO 0.39 -1.68 0.24 0.68 0.00 0.00 0.00 174.94 174.58 2grj s VAL 149 N 3.45 4.81 0.24 2.92 -7.23 -1.26 -4.76 120.40 118.57 2grj s VAL 149 Ca 0.39 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 59.12 2grj s VAL 149 Cb -0.03 -3.56 -0.13 0.00 0.56 0.00 0.00 36.38 33.23 2grj s VAL 149 CO -0.08 -0.26 1.58 -2.65 -0.31 0.00 0.00 175.10 173.38 2grj n PRO 150 N -0.98 2.47 -3.89 4.82 -0.02 -1.26 -4.99 135.00 131.14 2grj n PRO 150 Ca -0.08 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2grj n PRO 150 Cb 0.56 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 31.30 2grj n PRO 150 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2grj s GLN 151 N 0.17 0.60 7.85 -0.52 -2.07 -1.26 -5.08 119.66 119.34 2grj s GLN 151 Ca 0.70 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 53.60 2grj s GLN 151 Cb -0.57 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 2grj s GLN 151 CO 0.43 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.65 2grj n GLY 152 N 0.89 3.26 3.44 2.60 0.00 -1.26 -3.37 105.19 110.75 2grj n GLY 152 Ca -0.20 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2grj n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2grj s ILE 153 N 0.00 4.57 -0.23 -0.61 1.01 0.21 -4.93 121.20 121.23 2grj s ILE 153 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.09 2grj s ILE 153 Cb 0.00 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2grj s ILE 153 CO 0.00 0.12 0.59 -0.69 0.00 0.00 0.00 174.94 174.96 2grj s VAL 154 N 1.62 5.03 -0.34 2.92 1.01 -1.26 -1.23 120.40 128.14 2grj s VAL 154 Ca 0.05 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2grj s VAL 154 Cb -0.17 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.40 2grj s VAL 154 CO 0.06 0.09 0.07 -0.69 0.00 0.00 0.00 175.10 174.63 2grj s VAL 155 N 2.15 2.75 0.09 2.92 1.01 -0.06 -4.98 120.40 124.29 2grj s VAL 155 Ca 0.25 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 2grj s VAL 155 Cb -0.16 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 2grj s VAL 155 CO 0.09 -0.45 1.18 0.00 0.00 0.00 0.00 175.10 175.92 2grj s ALA 156 N 1.08 3.39 -0.54 5.51 0.00 -1.26 -1.83 121.76 128.12 2grj s ALA 156 Ca 0.04 0.85 0.07 0.00 0.00 0.00 0.00 51.96 52.92 2grj s ALA 156 Cb -0.21 -3.43 0.33 0.00 0.00 0.00 0.00 23.12 19.82 2grj s ALA 156 CO -0.05 -0.39 0.86 -1.71 0.00 0.00 0.00 175.76 174.47 2grj n ASN 157 N 3.51 3.45 -0.78 0.00 5.15 0.27 -4.83 115.26 122.02 2grj n ASN 157 Ca 0.07 -3.47 0.07 0.00 -0.60 0.00 0.00 54.58 50.65 2grj n ASN 157 Cb 0.46 -0.59 0.20 0.00 -0.53 0.00 0.00 39.78 39.33 2grj n ASN 157 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2grj n ASN 158 N 0.07 3.38 0.00 1.20 3.02 -1.26 -4.79 115.26 116.89 2grj n ASN 158 Ca 0.29 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 2grj n ASN 158 Cb 0.46 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2grj n ASN 158 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2grj n SER 159 N 0.16 0.00 -4.93 6.41 3.41 -1.26 -5.08 113.62 112.33 2grj n SER 159 Ca 0.16 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.52 2grj n SER 159 Cb 0.63 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.60 2grj n SER 159 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2grj s THR 160 N 3.91 3.62 0.22 6.66 -4.23 -1.26 -4.97 115.64 119.59 2grj s THR 160 Ca 0.00 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2grj s THR 160 Cb 0.00 -3.40 0.16 0.00 1.34 0.00 0.00 72.50 70.60 2grj s THR 160 CO 0.00 -0.37 1.79 0.25 -0.54 0.00 0.00 174.62 175.75 2grj h LEU 161 N -0.00 1.11 -0.59 4.79 5.85 -1.99 -1.77 115.31 122.71 2grj h LEU 161 Ca -0.45 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.12 2grj h LEU 161 Cb 1.26 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2grj h LEU 161 CO 0.59 0.97 0.36 -0.08 -0.34 0.00 0.00 178.44 179.94 2grj h GLU 162 N 1.18 0.69 -0.53 1.25 4.81 -1.99 0.26 114.58 120.24 2grj h GLU 162 Ca 0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2grj h GLU 162 Cb 0.20 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2grj h GLU 162 CO -0.02 0.46 0.14 -0.44 -0.73 0.00 0.00 179.01 178.41 2grj h ASP 163 N 0.71 0.75 -0.38 1.04 3.32 -1.88 -1.26 116.42 118.73 2grj h ASP 163 Ca 0.23 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2grj h ASP 163 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2grj h ASP 163 CO -0.10 0.73 0.10 0.25 -1.72 0.00 0.00 179.24 178.50 2grj h LEU 164 N 0.78 0.57 -1.06 1.55 5.85 -0.82 -1.93 115.31 120.25 2grj h LEU 164 Ca 0.18 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2grj h LEU 164 Cb 0.27 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2grj h LEU 164 CO -0.00 0.64 0.63 -0.33 -0.34 0.00 0.00 178.44 179.04 2grj h GLU 165 N 0.46 1.24 -0.51 1.25 5.08 -0.44 0.11 114.58 121.77 2grj h GLU 165 Ca 0.12 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2grj h GLU 165 Cb 0.29 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2grj h GLU 165 CO -0.00 0.82 0.02 0.87 -1.00 0.00 0.00 179.01 179.72 2grj h LYS 166 N 1.27 0.90 -0.63 2.33 1.57 -1.13 -1.43 116.57 119.44 2grj h LYS 166 Ca 0.36 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 2grj h LYS 166 Cb -0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2grj h LYS 166 CO -0.09 0.91 0.21 0.87 -0.57 0.00 0.00 179.45 180.78 2grj h LYS 167 N 0.77 0.98 -0.55 3.15 1.57 -0.76 -1.73 116.57 120.00 2grj h LYS 167 Ca 0.15 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2grj h LYS 167 Cb 0.50 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2grj h LYS 167 CO 0.02 0.86 0.03 0.28 -0.57 0.00 0.00 179.45 180.07 2grj h VAL 168 N 0.91 1.25 -0.55 0.50 2.07 -0.89 -1.38 116.25 118.15 2grj h VAL 168 Ca 0.21 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2grj h VAL 168 Cb 0.28 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2grj h VAL 168 CO -0.01 0.37 0.26 -0.08 0.02 0.00 0.00 177.57 178.14 2grj h GLU 169 N 0.85 0.79 -0.98 1.57 4.81 -0.97 -2.92 114.58 117.73 2grj h GLU 169 Ca 0.16 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2grj h GLU 169 Cb 0.46 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2grj h GLU 169 CO 0.02 0.65 0.64 0.93 -0.73 0.00 0.00 179.01 180.52 2grj h GLU 170 N 0.74 1.29 -1.22 1.92 3.07 -0.91 -0.20 114.58 119.27 2grj h GLU 170 Ca 0.19 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2grj h GLU 170 Cb 0.12 -0.29 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 2grj h GLU 170 CO -0.02 0.86 0.00 0.28 -1.40 0.00 0.00 179.01 178.72 2grj n VAL 171 N -4.40 0.22 0.00 3.13 0.31 -0.56 -2.58 118.33 114.45 2grj n VAL 171 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2grj n VAL 171 Cb 0.02 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2grj n VAL 171 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2grj n LYS 173 N 0.67 0.00 -0.07 5.55 0.00 -0.09 -2.05 118.16 122.17 2grj n LYS 173 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2grj n LYS 173 Cb 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.11 2grj n LYS 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2grj h LEU 174 N 0.00 0.62 -0.50 -5.58 3.38 -1.77 -3.37 115.31 108.08 2grj h LEU 174 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2grj h LEU 174 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2grj h LEU 174 CO 0.00 1.01 -0.39 1.33 0.09 0.00 0.00 178.44 180.47 2grj n VAL 175 N -4.34 0.00 -0.11 1.22 0.24 -0.87 -5.25 118.33 109.22 2grj n VAL 175 Ca -0.05 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2grj n VAL 175 Cb 0.47 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56