#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 3.49 0.00 4.41 0.00 -1.26 -4.91 115.29 117.02 2grj s HIS -1 Ca 0.00 1.10 0.00 0.00 -3.00 0.00 0.00 55.06 53.16 2grj s HIS -1 Cb 0.00 -2.79 0.00 0.00 -4.00 0.00 0.00 32.58 25.79 2grj s HIS -1 CO 0.00 -0.02 0.00 -2.39 -1.00 0.00 0.00 174.74 171.33 2grj n HIS 0 N 4.31 0.00 -3.54 0.38 -0.00 -1.26 -1.89 115.22 113.21 2grj n HIS 0 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.70 2grj n HIS 0 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 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 0.32 -0.36 -0.14 0.61 1.01 -1.26 -4.90 120.40 115.68 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 -0.17 -0.63 0.00 0.00 0.00 175.10 174.30 2grj s ILE 3 N 2.07 1.70 0.14 2.22 1.01 0.37 0.04 121.20 128.74 2grj s ILE 3 Ca -0.06 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 2grj s ILE 3 Cb -0.06 -1.55 -0.08 0.00 0.01 0.00 0.00 42.46 40.78 2grj s ILE 3 CO -0.17 0.48 0.73 -0.83 0.00 0.00 0.00 174.94 175.14 2grj s GLY 4 N 1.18 2.86 -0.23 6.18 0.00 0.34 -1.05 107.32 116.59 2grj s GLY 4 Ca -0.01 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2grj s GLY 4 CO -0.06 0.78 -0.07 0.14 0.00 0.00 0.00 173.10 173.88 2grj s VAL 5 N -1.09 1.69 0.27 1.40 1.01 0.31 0.17 120.40 124.16 2grj s VAL 5 Ca 0.34 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2grj s VAL 5 Cb -0.22 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2grj s VAL 5 CO 0.24 -0.04 0.07 1.07 0.00 0.00 0.00 175.10 176.44 2grj n THR 6 N 4.62 0.00 0.00 3.92 5.66 -0.33 -1.54 114.28 126.61 2grj n THR 6 Ca -0.13 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.39 2grj n THR 6 Cb 0.44 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.60 3.82 3.65 1.09 0.00 -1.26 -0.66 105.19 112.44 2grj n GLY 7 Ca -0.06 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.84 0.50 0.29 1.61 1.02 -1.26 -4.33 119.74 114.72 2grj s LYS 8 Ca 0.00 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.51 2grj s LYS 8 Cb 0.00 -1.72 -0.13 0.00 -0.52 0.00 0.00 37.83 35.46 2grj s LYS 8 CO 0.00 -2.76 1.37 1.51 -0.92 0.00 0.00 175.35 174.55 2grj n ILE 9 N -4.24 1.43 -0.99 2.17 3.06 -1.26 -2.81 119.36 116.72 2grj n ILE 9 Ca 0.06 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 2grj n ILE 9 Cb 0.55 -1.55 0.00 0.00 0.54 0.00 0.00 39.64 39.18 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 1.54 0.96 0.15 4.50 0.00 -1.26 -4.90 105.19 106.17 2grj n GLY 10 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 1.43 0.00 2.61 1.35 -1.86 -3.43 112.91 113.01 2grj h THR 11 Ca 0.00 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 2grj h THR 11 Cb 0.00 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2grj h THR 11 CO 0.00 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 2grj n GLY 12 N 0.89 0.79 0.12 5.82 0.00 -1.26 -4.71 105.19 106.84 2grj n GLY 12 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.10 -0.95 1.61 1.57 -1.88 0.06 116.57 116.87 2grj h LYS 13 Ca 0.00 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2grj h LYS 13 Cb 0.00 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 2grj h LYS 13 CO 0.00 -0.07 0.60 0.77 -0.57 0.00 0.00 179.45 180.18 2grj h SER 14 N -0.10 0.92 -0.07 0.86 0.02 -1.97 0.20 113.55 113.41 2grj h SER 14 Ca 0.05 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2grj h SER 14 Cb 0.17 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2grj h SER 14 CO -0.12 0.55 -0.01 0.74 -1.14 0.00 0.00 176.83 176.85 2grj h THR 15 N 1.03 1.29 -0.52 -2.27 2.02 -1.90 0.13 112.91 112.69 2grj h THR 15 Ca 0.43 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.73 2grj h THR 15 Cb 0.28 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2grj h THR 15 CO -0.21 0.25 0.32 0.58 0.37 0.00 0.00 175.52 176.83 2grj h VAL 16 N -0.20 1.08 -0.72 3.16 2.07 -0.72 -2.32 116.25 118.59 2grj h VAL 16 Ca 0.02 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 2grj h VAL 16 Cb 0.40 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2grj h VAL 16 CO 0.01 0.12 0.26 0.00 0.02 0.00 0.00 177.57 177.97 2grj h GLU 18 N 1.05 0.95 0.31 0.00 4.39 -0.51 0.90 114.58 121.68 2grj h GLU 18 Ca 0.24 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2grj h GLU 18 Cb 0.25 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2grj h GLU 18 CO -0.01 0.63 -0.15 0.82 -1.16 0.00 0.00 179.01 179.14 2grj h ILE 19 N 0.98 0.72 -0.97 3.13 2.04 -0.87 -0.74 117.51 121.80 2grj h ILE 19 Ca 0.35 -0.24 0.15 0.00 1.00 0.00 0.00 64.86 66.12 2grj h ILE 19 Cb 0.09 0.85 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 2grj h ILE 19 CO -0.14 0.05 0.61 -0.07 0.00 0.00 0.00 178.15 178.60 2grj h LEU 20 N -0.54 0.81 -0.05 1.44 3.38 -0.72 0.26 115.31 119.89 2grj h LEU 20 Ca -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2grj h LEU 20 Cb 0.40 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2grj h LEU 20 CO 0.07 0.39 -0.01 0.50 0.09 0.00 0.00 178.44 179.47 2grj h LYS 21 N 0.84 0.09 0.13 1.13 3.64 -0.66 -0.86 116.57 120.89 2grj h LYS 21 Ca 0.50 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.56 2grj h LYS 21 Cb 0.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2grj h LYS 21 CO -0.28 0.44 -1.35 -0.91 -2.27 0.00 0.00 179.45 175.08 2grj h ASN 22 N -0.26 0.45 0.14 4.20 2.35 -0.59 -2.44 115.58 119.43 2grj h ASN 22 Ca 0.01 -0.52 -0.36 0.00 -0.55 0.00 0.00 56.30 54.88 2grj h ASN 22 Cb 0.41 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2grj h ASN 22 CO 0.00 1.41 -2.07 0.29 -1.65 0.00 0.00 177.43 175.42 2grj n LYS 23 N -3.52 0.72 -0.09 0.81 5.02 0.85 -4.55 118.16 117.41 2grj n LYS 23 Ca -0.12 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.46 2grj n LYS 23 Cb 1.04 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 34.47 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 -3.37 0.23 -1.78 2.13 4.01 -0.43 -4.99 117.16 112.96 2grj n TYR 24 Ca -0.33 -0.26 -0.12 0.00 -0.16 0.00 0.00 57.90 57.03 2grj n TYR 24 Cb 1.04 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 40.03 2grj n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2grj n GLY 25 N 0.52 0.61 3.76 2.72 0.00 -0.65 -4.92 105.19 107.23 2grj n GLY 25 Ca 0.09 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.52 2.93 -0.34 4.61 0.00 -0.59 -4.66 121.76 121.20 2grj s ALA 26 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 2grj s ALA 26 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2grj s ALA 26 CO 0.00 -0.94 0.58 -1.58 0.00 0.00 0.00 175.76 173.83 2grj s HIS 27 N -1.44 3.18 -0.30 0.00 2.46 0.50 -4.48 115.29 115.21 2grj s HIS 27 Ca 0.66 0.33 -0.18 0.00 0.47 0.00 0.00 55.06 56.34 2grj s HIS 27 Cb -0.34 -3.02 -0.02 0.00 -0.13 0.00 0.00 32.58 29.08 2grj s HIS 27 CO 0.40 -0.56 0.51 0.08 -2.47 0.00 0.00 174.74 172.70 2grj s VAL 28 N 2.55 5.05 -0.53 0.89 1.01 -1.26 -1.01 120.40 127.11 2grj s VAL 28 Ca 0.22 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.66 2grj s VAL 28 Cb -0.15 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.43 2grj s VAL 28 CO 0.14 -0.03 0.65 -0.69 0.00 0.00 0.00 175.10 175.17 2grj s VAL 29 N 2.33 4.85 -0.74 2.92 1.01 0.72 -4.97 120.40 126.53 2grj s VAL 29 Ca 0.20 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2grj s VAL 29 Cb -0.15 -4.35 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2grj s VAL 29 CO 0.11 -0.88 1.38 0.21 0.00 0.00 0.00 175.10 175.91 2grj s ASN 30 N 2.89 6.05 0.36 3.32 3.84 -1.26 -0.97 114.94 129.17 2grj s ASN 30 Ca 0.15 -0.41 0.11 0.00 0.21 0.00 0.00 52.86 52.92 2grj s ASN 30 Cb -0.20 -2.56 0.67 0.00 -0.55 0.00 0.00 41.25 38.61 2grj s ASN 30 CO 0.11 -1.90 1.81 0.58 -2.79 0.00 0.00 177.10 174.91 2grj h VAL 31 N 6.21 1.27 -0.14 -5.21 2.07 -1.82 -2.53 116.25 116.09 2grj h VAL 31 Ca -0.24 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.02 2grj h VAL 31 Cb 1.06 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2grj h VAL 31 CO 1.28 0.37 0.02 0.44 0.02 0.00 0.00 177.57 179.70 2grj h ASP 32 N 0.07 -0.00 -0.84 0.57 3.32 -1.90 0.53 116.42 118.17 2grj h ASP 32 Ca 0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2grj h ASP 32 Cb 0.66 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 2grj h ASP 32 CO 0.05 0.02 0.55 0.03 -1.72 0.00 0.00 179.24 178.17 2grj h ARG 33 N 0.08 1.05 -0.89 3.56 -0.00 -1.88 -0.46 114.38 115.85 2grj h ARG 33 Ca 0.06 -0.06 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 2grj h ARG 33 Cb 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 29.97 29.74 2grj h ARG 33 CO -0.08 0.70 0.57 0.82 0.00 0.00 0.00 179.97 181.98 2grj h ILE 34 N 1.08 1.15 -0.66 2.04 2.04 -1.08 -0.67 117.51 121.41 2grj h ILE 34 Ca 0.32 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.90 2grj h ILE 34 Cb -0.05 -0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 35.89 2grj h ILE 34 CO -0.09 0.20 0.28 1.23 0.00 0.00 0.00 178.15 179.77 2grj h GLY 35 N 1.12 0.96 1.43 5.37 0.00 0.64 -1.23 103.07 111.36 2grj h GLY 35 Ca 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2grj h GLY 35 CO -0.12 -0.00 0.11 0.45 0.00 0.00 0.00 176.54 176.99 2grj h HIS 36 N 0.48 0.73 -0.39 5.60 3.86 0.15 -0.79 115.15 124.79 2grj h HIS 36 Ca 0.33 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.37 2grj h HIS 36 Cb 0.40 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2grj h HIS 36 CO -0.15 0.63 -0.21 0.93 0.86 0.00 0.00 177.93 179.99 2grj h GLU 37 N 0.70 0.83 -0.72 2.45 5.08 -0.86 -3.11 114.58 118.95 2grj h GLU 37 Ca 0.16 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2grj h GLU 37 Cb 0.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2grj h GLU 37 CO -0.00 1.01 0.25 0.28 -1.00 0.00 0.00 179.01 179.54 2grj h VAL 38 N 0.64 1.25 -0.62 3.13 2.07 -0.77 -2.86 116.25 119.09 2grj h VAL 38 Ca 0.09 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.87 2grj h VAL 38 Cb 0.77 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2grj h VAL 38 CO 0.06 0.34 0.19 -0.07 0.02 0.00 0.00 177.57 178.11 2grj h LEU 39 N 1.05 0.13 -1.59 2.57 3.38 -1.09 0.38 115.31 120.14 2grj h LEU 39 Ca 0.24 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2grj h LEU 39 Cb 0.26 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2grj h LEU 39 CO -0.01 0.07 -0.04 -0.33 0.09 0.00 0.00 178.44 178.22 2grj h GLU 40 N 0.34 0.20 0.00 1.13 4.39 -1.49 -2.02 114.58 117.14 2grj h GLU 40 Ca 0.32 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2grj h GLU 40 Cb 0.44 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2grj h GLU 40 CO -0.36 0.27 -0.14 0.93 -1.16 0.00 0.00 179.01 178.55 2grj h GLU 41 N 0.20 0.00 0.00 2.33 5.08 -0.80 -3.24 114.58 118.15 2grj h GLU 41 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2grj h GLU 41 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2grj h GLU 41 CO 0.01 0.14 -0.44 0.28 -1.00 0.00 0.00 179.01 178.00 2grj n VAL 42 N -3.38 2.14 -0.28 3.13 0.31 -0.78 -4.83 118.33 114.64 2grj n VAL 42 Ca -0.00 -3.10 -0.05 0.00 -0.01 0.00 0.00 64.34 61.18 2grj n VAL 42 Cb 0.34 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2grj n VAL 42 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2grj h LYS 43 N 0.87 -0.11 -0.61 5.55 1.57 -1.53 -1.46 116.57 120.86 2grj h LYS 43 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2grj h LYS 43 Cb 1.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2grj h LYS 43 CO 0.00 -0.07 0.36 1.05 -0.57 0.00 0.00 179.45 180.22 2grj h GLU 44 N -0.11 0.83 -0.12 3.15 -0.00 -1.91 -1.64 114.58 114.79 2grj h GLU 44 Ca 0.25 -0.08 -0.13 0.00 -0.00 0.00 0.00 59.36 59.40 2grj h GLU 44 Cb 0.56 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 29.13 2grj h GLU 44 CO -0.81 0.61 -0.48 -0.22 -0.00 0.00 0.00 179.01 178.11 2grj h LYS 45 N 0.83 0.30 -0.57 1.06 1.63 -1.86 -1.56 116.57 116.40 2grj h LYS 45 Ca 0.22 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2grj h LYS 45 Cb 0.00 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2grj h LYS 45 CO -0.04 0.72 0.17 -0.07 -3.45 0.00 0.00 179.45 176.79 2grj h LEU 46 N 0.24 0.83 -0.57 5.20 3.38 -0.89 -1.14 115.31 122.37 2grj h LEU 46 Ca 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2grj h LEU 46 Cb 0.94 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2grj h LEU 46 CO 0.08 0.82 0.21 0.58 0.09 0.00 0.00 178.44 180.22 2grj h VAL 47 N 0.80 1.23 -0.89 1.22 2.07 -1.11 0.20 116.25 119.77 2grj h VAL 47 Ca 0.18 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2grj h VAL 47 Cb 0.29 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2grj h VAL 47 CO -0.01 0.28 0.58 -0.33 0.02 0.00 0.00 177.57 178.12 2grj h GLU 48 N 0.78 1.09 0.07 1.57 5.08 -1.13 -0.29 114.58 121.75 2grj h GLU 48 Ca 0.19 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2grj h GLU 48 Cb 0.23 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.25 2grj h GLU 48 CO -0.01 0.72 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.91 2grj h LEU 49 N 1.12 0.53 -1.88 1.33 3.38 -0.61 -3.41 115.31 115.77 2grj h LEU 49 Ca 0.35 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2grj h LEU 49 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2grj h LEU 49 CO -0.10 1.32 0.00 0.49 0.09 0.00 0.00 178.44 180.24 2grj n PHE 50 N -4.15 0.00 0.00 1.13 3.72 0.66 -5.10 117.46 113.73 2grj n PHE 50 Ca -0.12 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2grj n PHE 50 Cb 0.76 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 -0.24 -0.52 0.23 1.37 0.00 -0.13 -4.58 105.19 101.32 2grj n GLY 51 Ca 0.00 -1.73 0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 1.23 -0.02 0.00 -1.93 -3.21 103.07 99.14 2grj h GLY 52 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2grj h GLY 52 CO 0.00 0.00 0.36 1.48 0.00 0.00 0.00 176.54 178.38 2grj h SER 53 N 0.00 0.00 0.15 0.19 4.64 -1.96 -1.64 113.55 114.93 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2grj h SER 53 CO 0.00 0.00 -0.12 1.33 -0.87 0.00 0.00 176.83 177.17 2grj n VAL 54 N -3.06 0.00 -3.56 0.95 0.24 -1.21 -4.81 118.33 106.89 2grj n VAL 54 Ca -0.00 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 2grj n VAL 54 Cb 0.43 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.28 5.22 -0.08 1.34 1.43 -0.62 -0.55 118.68 123.13 2grj s LEU 55 Ca 0.31 -1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 51.83 2grj s LEU 55 Cb 0.20 -2.03 -0.13 0.00 0.03 0.00 0.00 46.19 44.26 2grj s LEU 55 CO 0.44 -0.55 0.60 1.05 0.23 0.00 0.00 176.35 178.12 2grj h GLU 56 N 8.48 -0.13 0.00 1.70 -0.00 -1.38 -3.47 114.58 119.79 2grj h GLU 56 Ca -0.24 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.13 2grj h GLU 56 Cb 1.09 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 2grj h GLU 56 CO 0.78 0.29 0.00 -0.25 -0.00 0.00 0.00 179.01 179.83 2grj n ASP 57 N -4.83 0.00 -0.87 3.06 9.92 -1.26 -4.90 116.55 117.67 2grj n ASP 57 Ca -0.06 0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.28 2grj n ASP 57 Cb 0.24 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 40.94 2grj n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2grj n GLY 58 N 3.69 1.19 3.22 0.44 0.00 -1.26 -4.99 105.19 107.48 2grj n GLY 58 Ca 0.00 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.40 0.97 0.04 1.61 -2.85 -1.26 -5.10 119.74 111.75 2grj s LYS 59 Ca 0.32 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 2grj s LYS 59 Cb 0.17 -0.94 -0.08 0.00 -2.06 0.00 0.00 37.83 34.92 2grj s LYS 59 CO 0.23 0.20 1.66 0.08 0.10 0.00 0.00 175.35 177.61 2grj s VAL 60 N -1.71 3.17 -0.56 1.79 1.01 -1.26 -0.99 120.40 121.84 2grj s VAL 60 Ca 0.05 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 2grj s VAL 60 Cb -0.07 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2grj s VAL 60 CO 0.03 -0.01 0.75 0.21 0.00 0.00 0.00 175.10 176.08 2grj s ASN 61 N 2.66 6.22 0.35 3.32 3.84 0.28 -4.85 114.94 126.77 2grj s ASN 61 Ca 0.74 -0.99 0.08 0.00 0.21 0.00 0.00 52.86 52.91 2grj s ASN 61 Cb -0.38 -2.34 0.66 0.00 -0.55 0.00 0.00 41.25 38.64 2grj s ASN 61 CO 0.32 -1.10 1.84 0.03 -2.79 0.00 0.00 177.10 175.39 2grj h ARG 62 N 9.20 0.24 0.27 0.43 3.08 -1.92 -1.58 114.38 124.10 2grj h ARG 62 Ca -0.28 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 2grj h ARG 62 Cb 1.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2grj h ARG 62 CO 1.06 0.47 -0.13 -0.22 -1.07 0.00 0.00 179.97 180.08 2grj h LYS 63 N 0.22 -0.36 -0.32 0.04 1.63 -1.97 0.21 116.57 116.02 2grj h LYS 63 Ca 0.04 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 2grj h LYS 63 Cb 0.53 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2grj h LYS 63 CO 0.04 -0.22 -0.10 0.87 -3.45 0.00 0.00 179.45 176.59 2grj h LYS 64 N -0.39 0.54 -0.19 1.90 6.56 -1.85 -0.96 116.57 122.18 2grj h LYS 64 Ca -0.04 -0.15 -0.09 0.00 -1.06 0.00 0.00 60.65 59.31 2grj h LYS 64 Cb 0.30 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2grj h LYS 64 CO 0.06 0.64 -0.23 1.25 -2.06 0.00 0.00 179.45 179.12 2grj h LEU 65 N 0.50 0.52 -0.74 2.94 5.85 -1.04 -2.86 115.31 120.49 2grj h LEU 65 Ca 0.09 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.42 2grj h LEU 65 Cb 0.48 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2grj h LEU 65 CO 0.03 0.92 0.37 0.00 -0.34 0.00 0.00 178.44 179.41 2grj h ALA 66 N 0.62 1.03 -0.89 1.25 0.00 -0.37 0.25 119.26 121.15 2grj h ALA 66 Ca 0.02 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.17 2grj h ALA 66 Cb 0.79 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2grj h ALA 66 CO 0.05 -0.05 0.58 0.78 0.00 0.00 0.00 179.25 180.61 2grj h GLY 67 N 0.61 1.03 0.00 0.00 0.00 -1.00 -0.57 103.07 103.14 2grj h GLY 67 Ca 0.37 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2grj h GLY 67 CO -0.29 0.03 -0.29 -2.22 0.00 0.00 0.00 176.54 173.77 2grj h ILE 68 N 0.53 1.13 -0.04 2.60 2.04 -1.05 -3.37 117.51 119.34 2grj h ILE 68 Ca 0.46 -1.95 -0.16 0.00 1.00 0.00 0.00 64.86 64.22 2grj h ILE 68 Cb 0.96 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2grj h ILE 68 CO -0.19 0.38 -0.68 -0.37 0.00 0.00 0.00 178.15 177.29 2grj h VAL 69 N -1.00 1.43 -0.20 1.67 -1.51 -0.80 -3.02 116.25 112.82 2grj h VAL 69 Ca -0.07 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 2grj h VAL 69 Cb 0.83 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 2grj h VAL 69 CO -0.04 0.64 0.00 0.49 -1.23 0.00 0.00 177.57 177.43 2grj n PHE 70 N -3.80 0.53 0.59 5.19 3.72 -0.24 -2.75 117.46 120.69 2grj n PHE 70 Ca -0.02 -0.20 0.07 0.00 -0.05 0.00 0.00 57.45 57.24 2grj n PHE 70 Cb 0.67 -0.15 -0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.19 1.84 -3.70 -1.08 -0.58 -1.14 -4.98 120.64 111.19 2grj n GLU 71 Ca 0.08 -0.73 -0.11 0.00 -0.42 0.00 0.00 57.16 55.99 2grj n GLU 71 Cb 0.42 -1.19 -0.10 0.00 -0.57 0.00 0.00 31.44 30.00 2grj n GLU 71 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2grj s SER 72 N -1.63 -0.52 0.28 1.62 0.15 -1.11 -5.03 113.70 107.46 2grj s SER 72 Ca 0.11 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2grj s SER 72 Cb 0.11 0.84 0.42 0.00 -1.71 0.00 0.00 66.02 65.67 2grj s SER 72 CO 0.33 -0.18 1.78 0.03 1.20 0.00 0.00 173.24 176.40 2grj h ARG 73 N 6.61 0.67 -0.37 5.44 3.08 -1.95 -1.76 114.38 126.10 2grj h ARG 73 Ca -0.33 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2grj h ARG 73 Cb 1.18 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2grj h ARG 73 CO 0.27 0.72 0.23 0.93 -1.07 0.00 0.00 179.97 181.05 2grj h GLU 74 N 0.62 0.50 -0.41 0.04 4.39 -1.96 -0.90 114.58 116.87 2grj h GLU 74 Ca 0.12 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 2grj h GLU 74 Cb 0.46 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2grj h GLU 74 CO 0.02 0.36 -0.20 -0.91 -1.16 0.00 0.00 179.01 177.12 2grj h ASN 75 N 0.49 0.88 -0.84 1.42 2.35 -1.82 -2.51 115.58 115.56 2grj h ASN 75 Ca 0.13 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.52 2grj h ASN 75 Cb -0.02 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.06 2grj h ASN 75 CO -0.03 1.09 0.53 0.25 -1.65 0.00 0.00 177.43 177.63 2grj h LEU 76 N 0.67 0.86 -0.94 1.61 5.85 -1.20 -2.06 115.31 120.10 2grj h LEU 76 Ca 0.09 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2grj h LEU 76 Cb 0.76 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2grj h LEU 76 CO 0.06 0.58 -0.12 0.50 -0.34 0.00 0.00 178.44 179.12 2grj h LYS 77 N 1.01 0.63 -0.46 1.25 1.63 -0.96 -1.18 116.57 118.49 2grj h LYS 77 Ca 0.35 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2grj h LYS 77 Cb 0.06 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2grj h LYS 77 CO -0.13 0.74 0.24 0.87 -3.45 0.00 0.00 179.45 177.72 2grj h LYS 78 N 0.58 0.66 -0.38 1.90 1.57 -0.99 -0.90 116.57 119.01 2grj h LYS 78 Ca 0.10 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2grj h LYS 78 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2grj h LYS 78 CO 0.03 0.53 0.10 1.25 -0.57 0.00 0.00 179.45 180.80 2grj h LEU 79 N 0.61 0.57 -0.76 2.94 5.85 -1.00 -2.75 115.31 120.77 2grj h LEU 79 Ca 0.16 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2grj h LEU 79 Cb 0.08 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2grj h LEU 79 CO -0.02 0.65 0.47 -0.33 -0.34 0.00 0.00 178.44 178.86 2grj h GLU 80 N 0.47 1.03 0.00 1.25 5.08 -1.05 -1.02 114.58 120.33 2grj h GLU 80 Ca 0.12 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2grj h GLU 80 Cb 0.30 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2grj h GLU 80 CO 0.00 0.72 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.42 2grj h LEU 81 N 1.04 0.00 0.01 1.33 3.38 -1.11 -1.68 115.31 118.27 2grj h LEU 81 Ca 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 2grj h LEU 81 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2grj h LEU 81 CO -0.05 0.24 -0.44 0.25 0.09 0.00 0.00 178.44 178.53 2grj h LEU 82 N 0.00 0.37 0.00 1.67 5.85 -1.05 -3.42 115.31 118.73 2grj h LEU 82 Ca -0.00 -0.79 -0.28 0.00 0.84 0.00 0.00 57.88 57.65 2grj h LEU 82 Cb 0.46 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2grj h LEU 82 CO 0.03 1.11 -2.21 1.33 -0.34 0.00 0.00 178.44 178.37 2grj n VAL 83 N -4.35 1.05 -0.17 1.05 0.24 -0.46 -4.59 118.33 111.10 2grj n VAL 83 Ca -0.10 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.40 2grj n VAL 83 Cb 0.60 -0.41 0.03 0.00 -1.47 0.00 0.00 33.84 32.59 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 0.59 -0.69 6.34 3.86 -1.52 -2.91 115.15 120.81 2grj h HIS 84 Ca -0.42 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 58.85 2grj h HIS 84 Cb 1.93 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 30.16 2grj h HIS 84 CO 0.00 0.35 0.42 -1.35 0.86 0.00 0.00 177.93 178.21 2grj h PRO 85 N 0.63 0.78 -1.63 2.45 0.11 -1.82 -1.02 132.00 131.50 2grj h PRO 85 Ca 0.19 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2grj h PRO 85 Cb -0.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.91 2grj h PRO 85 CO -0.07 0.52 0.00 1.28 -0.21 0.00 0.00 178.00 179.52 2grj n LEU 86 N -4.70 0.77 0.00 2.35 4.32 -1.10 -1.98 117.00 116.66 2grj n LEU 86 Ca 0.08 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 2grj n LEU 86 Cb 0.11 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2grj n LEU 86 CO 0.32 0.13 0.00 1.17 -1.22 0.00 0.00 177.39 177.79 2grj n LYS 88 N 0.83 0.00 -0.32 3.23 4.81 -0.39 -2.16 118.16 124.17 2grj n LYS 88 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 2grj n LYS 88 Cb 0.13 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.36 2grj n LYS 88 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2grj h LYS 89 N 0.00 0.88 -0.32 1.64 3.64 -1.66 0.50 116.57 121.26 2grj h LYS 89 Ca 0.00 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 2grj h LYS 89 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2grj h LYS 89 CO 0.00 0.58 -0.42 -0.09 -2.27 0.00 0.00 179.45 177.26 2grj h ARG 90 N 0.91 0.84 -0.11 1.90 9.65 -1.71 -1.03 114.38 124.82 2grj h ARG 90 Ca 0.42 -0.48 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2grj h ARG 90 Cb 0.33 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2grj h ARG 90 CO -0.23 1.12 0.06 0.28 2.80 0.00 0.00 179.97 184.00 2grj h VAL 91 N 0.62 1.08 -0.69 0.20 2.07 -1.66 -2.26 116.25 115.61 2grj h VAL 91 Ca 0.04 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.43 2grj h VAL 91 Cb 1.01 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 2grj h VAL 91 CO 0.10 0.07 0.30 -0.61 0.02 0.00 0.00 177.57 177.46 2grj h GLN 92 N 0.10 0.49 -0.61 1.57 5.75 -0.80 -0.98 115.11 120.63 2grj h GLN 92 Ca 0.04 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2grj h GLN 92 Cb 0.06 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2grj h GLN 92 CO -0.01 0.33 0.40 0.93 -2.65 0.00 0.00 178.83 177.83 2grj h GLU 93 N 0.51 0.79 -0.33 1.69 5.08 -0.94 -0.82 114.58 120.57 2grj h GLU 93 Ca 0.35 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2grj h GLU 93 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2grj h GLU 93 CO -0.31 0.52 0.07 0.82 -1.00 0.00 0.00 179.01 179.12 2grj h ILE 94 N 0.81 1.22 -0.44 3.13 2.04 -0.83 -2.68 117.51 120.77 2grj h ILE 94 Ca 0.23 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.40 2grj h ILE 94 Cb -0.08 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2grj h ILE 94 CO -0.06 0.26 0.03 0.40 0.00 0.00 0.00 178.15 178.78 2grj h ILE 95 N 0.38 0.69 -0.12 -0.67 2.04 -0.88 -2.37 117.51 116.58 2grj h ILE 95 Ca 0.10 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2grj h ILE 95 Cb 0.31 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2grj h ILE 95 CO 0.00 0.03 0.08 0.78 0.00 0.00 0.00 178.15 179.04 2grj h ASN 96 N 0.15 0.11 -0.60 1.72 2.35 -0.93 -2.77 115.58 115.60 2grj h ASN 96 Ca 0.22 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2grj h ASN 96 Cb 0.31 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2grj h ASN 96 CO -0.34 0.08 0.00 0.29 -1.65 0.00 0.00 177.43 175.81 2grj n LYS 97 N -4.52 2.64 -4.76 0.81 5.02 -0.93 -4.70 118.16 111.72 2grj n LYS 97 Ca -0.01 -2.52 -0.25 0.00 -2.02 0.00 0.00 58.31 53.50 2grj n LYS 97 Cb 0.11 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.21 1.33 0.28 -0.18 2.01 -0.98 -5.07 115.64 111.82 2grj s THR 98 Ca 0.45 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2grj s THR 98 Cb 0.25 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2grj s THR 98 CO 0.33 0.39 0.34 -0.44 -0.69 0.00 0.00 174.62 174.55 2grj s SER 99 N 0.14 5.92 0.00 3.53 0.01 -1.26 -4.66 113.70 117.38 2grj s SER 99 Ca -0.05 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2grj s SER 99 Cb -0.12 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2grj s SER 99 CO 0.02 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2grj n GLY 100 N -1.41 -0.56 3.64 3.44 0.00 -0.79 -4.80 105.19 104.70 2grj n GLY 100 Ca -0.06 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 4.08 -0.09 0.99 2.96 -1.26 -4.41 118.68 120.94 2grj s LEU 101 Ca 0.00 1.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 2grj s LEU 101 Cb 0.00 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2grj s LEU 101 CO 0.00 -0.54 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.67 2grj s ILE 102 N 2.90 2.62 -0.18 6.68 1.01 -1.26 -0.37 121.20 132.60 2grj s ILE 102 Ca 0.36 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2grj s ILE 102 Cb -0.15 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2grj s ILE 102 CO 0.08 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.74 2grj s VAL 103 N 0.06 2.68 -0.45 2.92 1.01 -0.18 -0.48 120.40 125.96 2grj s VAL 103 Ca -0.07 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 2grj s VAL 103 Cb -0.15 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.12 2grj s VAL 103 CO 0.05 0.50 0.40 -0.63 0.00 0.00 0.00 175.10 175.42 2grj s ILE 104 N 1.14 5.18 -0.40 2.22 -1.09 -0.21 -0.20 121.20 127.83 2grj s ILE 104 Ca 0.01 -0.77 -0.19 0.00 -2.23 0.00 0.00 60.65 57.47 2grj s ILE 104 Cb -0.14 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 2grj s ILE 104 CO -0.05 -0.50 0.57 -0.70 -1.23 0.00 0.00 174.94 173.02 2grj s GLU 105 N 1.85 3.38 -0.30 2.79 2.12 -0.14 -0.53 118.70 127.86 2grj s GLU 105 Ca 0.07 -0.34 -0.12 0.00 0.36 0.00 0.00 54.97 54.94 2grj s GLU 105 Cb -0.21 -3.90 0.13 0.00 0.26 0.00 0.00 34.13 30.41 2grj s GLU 105 CO 0.09 -0.85 0.71 0.00 -0.54 0.00 0.00 175.26 174.68 2grj s ALA 106 N 2.56 -2.13 0.29 6.30 0.00 -0.59 -2.14 121.76 126.05 2grj s ALA 106 Ca 0.20 2.31 0.01 0.00 0.00 0.00 0.00 51.96 54.48 2grj s ALA 106 Cb -0.15 -1.77 0.52 0.00 0.00 0.00 0.00 23.12 21.72 2grj s ALA 106 CO 0.16 -0.84 1.88 0.00 0.00 0.00 0.00 175.76 176.96 2grj h ALA 107 N 7.73 1.51 -0.87 0.00 0.00 -1.80 -2.77 119.26 123.06 2grj h ALA 107 Ca -0.20 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 2grj h ALA 107 Cb 1.12 -0.25 -0.26 0.00 0.00 0.00 0.00 17.79 18.40 2grj h ALA 107 CO 0.11 0.31 0.73 1.28 0.00 0.00 0.00 179.25 181.68 2grj n LEU 108 N -4.53 7.19 -0.11 0.00 4.77 -1.26 -4.25 117.00 118.81 2grj n LEU 108 Ca 0.16 -3.91 -0.05 0.00 -0.03 0.00 0.00 56.01 52.17 2grj n LEU 108 Cb 0.26 -0.96 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2grj n LEU 108 CO 0.31 1.33 0.74 0.25 -1.33 0.00 0.00 177.39 178.68 2grj h LEU 109 N 1.90 -0.58 -0.09 2.23 5.85 -1.86 -2.83 115.31 119.93 2grj h LEU 109 Ca 0.54 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 59.35 2grj h LEU 109 Cb 1.19 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2grj h LEU 109 CO 1.31 -0.20 -0.16 0.50 -0.34 0.00 0.00 178.44 179.55 2grj h LYS 110 N -0.10 0.26 -1.97 1.25 3.64 -1.88 -1.02 116.57 116.75 2grj h LYS 110 Ca 0.19 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2grj h LYS 110 Cb 0.39 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2grj h LYS 110 CO -0.45 0.74 0.00 -2.13 -2.27 0.00 0.00 179.45 175.35 2grj n ARG 111 N -4.59 0.03 -0.31 1.90 0.63 -1.07 -4.55 116.66 108.70 2grj n ARG 111 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2grj n ARG 111 Cb 0.38 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.81 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 1.16 0.27 0.17 5.14 0.00 -1.14 -5.14 105.19 105.64 2grj n GLY 113 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.57 0.99 3.38 -1.43 -3.06 115.31 113.62 2grj h LEU 114 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2grj h LEU 114 Cb 1.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2grj h LEU 114 CO 0.00 0.45 0.53 -2.24 0.09 0.00 0.00 178.44 177.27 2grj h ASP 115 N 0.00 0.39 0.40 -0.43 2.03 -1.83 0.63 116.42 117.61 2grj h ASP 115 Ca -0.00 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 2grj h ASP 115 Cb 0.95 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.40 2grj h ASP 115 CO 0.06 0.19 -0.07 1.56 -1.03 0.00 0.00 179.24 179.95 2grj h GLN 116 N 0.40 0.00 -0.00 4.15 4.20 -1.87 -0.91 115.11 121.09 2grj h GLN 116 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2grj h GLN 116 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2grj h GLN 116 CO -0.13 0.07 -0.00 1.28 -0.67 0.00 0.00 178.83 179.38 2grj n LEU 117 N -3.43 0.01 -4.88 1.46 4.77 0.21 -4.91 117.00 110.24 2grj n LEU 117 Ca -0.02 0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.86 2grj n LEU 117 Cb 0.21 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2grj n LEU 117 CO 0.27 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.16 2grj h ASP 119 N 4.03 0.31 -5.18 0.00 3.32 -0.69 -3.47 116.42 114.73 2grj h ASP 119 Ca -0.50 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.11 2grj h ASP 119 Cb 1.19 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 2grj h ASP 119 CO 0.66 1.27 -0.50 -1.00 -1.72 0.00 0.00 179.24 177.95 2grj s HIS 120 N -2.67 0.30 -0.06 4.55 3.76 -1.12 -5.04 115.29 115.01 2grj s HIS 120 Ca -0.03 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 2grj s HIS 120 Cb 0.08 -0.19 0.01 0.00 1.11 0.00 0.00 32.58 33.58 2grj s HIS 120 CO 0.87 -0.46 -0.12 0.08 -0.85 0.00 0.00 174.74 174.25 2grj s VAL 121 N -3.75 1.10 -0.19 -0.90 1.01 -1.26 -0.50 120.40 115.91 2grj s VAL 121 Ca 0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2grj s VAL 121 Cb 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2grj s VAL 121 CO -0.10 0.34 0.06 -0.63 0.00 0.00 0.00 175.10 174.78 2grj s ILE 122 N 0.55 4.73 -0.21 2.22 1.01 0.13 -0.87 121.20 128.75 2grj s ILE 122 Ca -0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2grj s ILE 122 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2grj s ILE 122 CO 0.03 0.44 0.05 -0.89 0.00 0.00 0.00 174.94 174.57 2grj s THR 123 N 0.53 4.41 -0.12 2.92 2.01 -0.09 -1.19 115.64 124.11 2grj s THR 123 Ca 0.03 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 2grj s THR 123 Cb -0.13 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2grj s THR 123 CO 0.01 0.41 0.63 -0.69 -0.69 0.00 0.00 174.62 174.29 2grj s VAL 124 N 0.97 5.07 0.21 3.82 1.01 0.17 -1.10 120.40 130.55 2grj s VAL 124 Ca 0.03 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.37 2grj s VAL 124 Cb -0.14 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2grj s VAL 124 CO 0.03 0.22 -0.19 0.68 0.00 0.00 0.00 175.10 175.83 2grj s VAL 125 N 1.13 2.09 -0.09 2.92 -7.23 -0.75 -4.20 120.40 114.28 2grj s VAL 125 Ca 0.32 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2grj s VAL 125 Cb -0.16 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.81 2grj s VAL 125 CO 0.14 -0.36 0.83 0.00 -0.31 0.00 0.00 175.10 175.40 2grj s ALA 126 N -2.28 -1.84 0.73 1.32 0.00 -1.26 -0.89 121.76 117.54 2grj s ALA 126 Ca 0.22 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 2grj s ALA 126 Cb -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.85 2grj s ALA 126 CO 0.10 -0.38 1.17 -1.54 0.00 0.00 0.00 175.76 175.11 2grj s SER 127 N -1.30 4.33 0.22 0.00 1.04 -1.26 -4.78 113.70 111.95 2grj s SER 127 Ca -0.05 2.22 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 2grj s SER 127 Cb -0.00 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.75 2grj s SER 127 CO 0.04 -2.16 1.86 -0.09 0.98 0.00 0.00 173.24 173.87 2grj h ARG 128 N -0.39 0.93 -0.37 4.02 2.43 -2.01 -0.70 114.38 118.30 2grj h ARG 128 Ca -0.47 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.56 2grj h ARG 128 Cb 1.28 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2grj h ARG 128 CO 0.50 0.61 -0.14 0.93 -1.51 0.00 0.00 179.97 180.36 2grj h GLU 129 N 0.96 0.66 -0.26 0.20 5.08 -1.99 -0.75 114.58 118.47 2grj h GLU 129 Ca 0.30 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2grj h GLU 129 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2grj h GLU 129 CO -0.10 0.78 0.15 1.15 -1.00 0.00 0.00 179.01 179.98 2grj h THR 130 N 0.60 1.12 -0.50 1.13 2.02 -1.74 -2.58 112.91 112.94 2grj h THR 130 Ca 0.10 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 2grj h THR 130 Cb 0.59 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2grj h THR 130 CO 0.04 0.12 0.31 0.40 0.37 0.00 0.00 175.52 176.76 2grj h ILE 131 N 0.31 1.15 -0.43 3.11 2.04 -0.73 -2.87 117.51 120.10 2grj h ILE 131 Ca 0.09 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2grj h ILE 131 Cb 0.06 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2grj h ILE 131 CO -0.02 0.15 -0.03 -0.07 0.00 0.00 0.00 178.15 178.18 2grj h LEU 132 N 0.68 0.68 -1.76 1.44 3.38 -1.06 -1.55 115.31 117.12 2grj h LEU 132 Ca 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2grj h LEU 132 Cb -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2grj h LEU 132 CO -0.04 0.77 -0.12 0.11 0.09 0.00 0.00 178.44 179.25 2grj h LYS 133 N 0.66 0.00 0.07 1.13 6.56 -1.32 -3.29 116.57 120.38 2grj h LYS 133 Ca 0.13 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.40 2grj h LYS 133 Cb 0.46 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 2grj h LYS 133 CO 0.02 0.12 -1.74 0.00 -2.06 0.00 0.00 179.45 175.79 2grj h ARG 134 N 0.00 0.14 -3.82 3.15 3.08 -1.10 -3.47 114.38 112.36 2grj h ARG 134 Ca -0.00 -0.24 -0.35 0.00 0.07 0.00 0.00 59.98 59.47 2grj h ARG 134 Cb 0.22 0.09 -0.33 0.00 0.08 0.00 0.00 29.97 30.02 2grj h ARG 134 CO 0.02 0.87 -0.75 1.21 -1.07 0.00 0.00 179.97 180.25 2grj s ASN 135 N -6.60 0.49 0.11 7.04 3.84 -0.72 -5.06 114.94 114.04 2grj s ASN 135 Ca -0.11 -0.05 0.14 0.00 0.21 0.00 0.00 52.86 53.05 2grj s ASN 135 Cb 0.07 -0.24 -0.11 0.00 -0.55 0.00 0.00 41.25 40.42 2grj s ASN 135 CO 0.81 -0.07 1.06 0.08 -2.79 0.00 0.00 177.10 176.19 2grj h ARG 136 N 7.09 0.00 0.00 0.43 0.11 -1.88 -3.20 114.38 116.92 2grj h ARG 136 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2grj h ARG 136 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2grj h ARG 136 CO 0.48 0.53 0.00 0.39 0.10 0.00 0.00 179.97 181.47 2grj n GLU 137 N -3.10 0.12 -0.18 0.08 4.71 -1.26 -4.10 120.64 116.91 2grj n GLU 137 Ca -0.06 0.28 -0.09 0.00 -0.01 0.00 0.00 57.16 57.29 2grj n GLU 137 Cb 0.87 -1.70 0.01 0.00 -1.01 0.00 0.00 31.44 29.61 2grj n GLU 137 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2grj h ALA 138 N 2.48 0.68 -0.77 0.62 0.00 -1.91 -2.29 119.26 118.05 2grj h ALA 138 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2grj h ALA 138 Cb 0.41 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 2grj h ALA 138 CO 0.00 0.36 -0.32 0.22 0.00 0.00 0.00 179.25 179.51 2grj h ASP 139 N 0.71 -1.15 -0.32 0.00 3.58 -1.81 -0.49 116.42 116.93 2grj h ASP 139 Ca 0.16 0.26 -0.12 0.00 0.42 0.00 0.00 57.03 57.75 2grj h ASP 139 Cb 0.32 0.62 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 2grj h ASP 139 CO -0.00 -0.29 -0.27 -0.09 -2.88 0.00 0.00 179.24 175.71 2grj h ARG 140 N -0.07 0.75 0.00 0.28 2.43 -1.71 -3.34 114.38 112.72 2grj h ARG 140 Ca 0.31 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2grj h ARG 140 Cb 0.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2grj h ARG 140 CO -0.82 1.00 -1.11 0.00 -1.51 0.00 0.00 179.97 177.53 2grj h ARG 141 N 0.52 0.00 -0.40 0.20 3.08 -0.90 -3.30 114.38 113.59 2grj h ARG 141 Ca 0.06 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.19 2grj h ARG 141 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2grj h ARG 141 CO 0.07 0.20 0.27 -0.07 -1.07 0.00 0.00 179.97 179.37 2grj h LEU 142 N 0.00 0.17 -2.41 3.04 3.38 -1.23 -0.83 115.31 117.44 2grj h LEU 142 Ca -0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2grj h LEU 142 Cb 1.34 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2grj h LEU 142 CO 0.03 0.11 0.11 0.11 0.09 0.00 0.00 178.44 178.89 2grj h LYS 143 N 0.20 0.00 -0.53 1.13 1.57 -1.72 -0.61 116.57 116.60 2grj h LYS 143 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2grj h LYS 143 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 2grj h LYS 143 CO -0.03 0.00 0.09 1.19 -0.57 0.00 0.00 179.45 180.13 2grj n PHE 144 N -3.65 1.82 -1.36 -1.35 3.72 -0.32 -4.47 117.46 111.85 2grj n PHE 144 Ca -0.01 -1.01 0.04 0.00 -0.05 0.00 0.00 57.45 56.42 2grj n PHE 144 Cb 0.20 -0.52 0.05 0.00 -0.94 0.00 0.00 39.48 38.28 2grj n PHE 144 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2grj n GLN 145 N -0.11 0.77 0.31 -1.08 6.02 -0.24 -4.83 117.38 118.22 2grj n GLN 145 Ca 0.31 -1.61 0.17 0.00 -0.01 0.00 0.00 57.00 55.86 2grj n GLN 145 Cb 1.17 -0.93 0.98 0.00 1.02 0.00 0.00 30.24 32.47 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 -0.01 -1.09 5.08 -1.78 -1.77 114.58 115.01 2grj h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2grj h GLU 146 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2grj h GLU 146 CO 0.00 0.01 -0.05 -0.40 -1.00 0.00 0.00 179.01 177.57 2grj n ASP 147 N -3.64 0.86 -4.48 1.42 5.75 -1.26 -4.60 116.55 110.60 2grj n ASP 147 Ca -0.03 -1.13 -0.43 0.00 -0.01 0.00 0.00 54.79 53.20 2grj n ASP 147 Cb 0.09 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 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 -2.14 4.51 0.24 2.12 1.01 -0.67 -4.95 121.20 121.32 2grj s ILE 148 Ca 0.37 -1.42 0.07 0.00 0.00 0.00 0.00 60.65 59.67 2grj s ILE 148 Cb 0.21 -4.87 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 2grj s ILE 148 CO 0.39 -1.64 0.14 0.68 0.00 0.00 0.00 174.94 174.50 2grj s VAL 149 N 3.28 4.22 0.25 2.92 -7.23 -1.26 -4.76 120.40 117.82 2grj s VAL 149 Ca 0.37 -1.46 -0.31 0.00 -1.81 0.00 0.00 61.98 58.78 2grj s VAL 149 Cb -0.03 -3.25 -0.12 0.00 0.56 0.00 0.00 36.38 33.54 2grj s VAL 149 CO -0.09 -0.31 1.63 -2.65 -0.31 0.00 0.00 175.10 173.38 2grj n PRO 150 N -0.94 2.67 -3.91 4.82 -0.02 -1.26 -4.97 135.00 131.39 2grj n PRO 150 Ca -0.08 0.95 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 2grj n PRO 150 Cb 0.57 -2.75 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.15 0.52 7.28 -0.52 -2.07 -1.26 -5.08 119.66 118.68 2grj s GLN 151 Ca 0.69 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 2grj s GLN 151 Cb -0.52 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.61 2grj s GLN 151 CO 0.42 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.68 2grj n GLY 152 N 1.11 2.41 3.58 2.60 0.00 -1.26 -3.39 105.19 110.23 2grj n GLY 152 Ca -0.21 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 5.28 -0.13 -0.61 1.01 -0.05 -4.90 121.20 121.80 2grj s ILE 153 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 60.58 2grj s ILE 153 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2grj s ILE 153 CO 0.00 0.17 0.65 -0.69 0.00 0.00 0.00 174.94 175.07 2grj s VAL 154 N 1.81 5.05 -0.30 2.92 1.01 -1.26 -0.91 120.40 128.72 2grj s VAL 154 Ca 0.08 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.38 2grj s VAL 154 Cb -0.16 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.32 2grj s VAL 154 CO 0.11 0.20 -0.02 -0.69 0.00 0.00 0.00 175.10 174.69 2grj s VAL 155 N 1.25 2.17 0.07 2.92 1.01 -0.26 -4.95 120.40 122.61 2grj s VAL 155 Ca 0.33 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 2grj s VAL 155 Cb -0.17 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2grj s VAL 155 CO 0.14 -0.33 1.15 0.00 0.00 0.00 0.00 175.10 176.06 2grj s ALA 156 N 1.02 3.35 -0.57 5.51 0.00 -1.26 -1.81 121.76 128.01 2grj s ALA 156 Ca 0.02 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2grj s ALA 156 Cb -0.19 -3.42 0.28 0.00 0.00 0.00 0.00 23.12 19.79 2grj s ALA 156 CO -0.07 -0.37 0.77 -1.71 0.00 0.00 0.00 175.76 174.38 2grj n ASN 157 N 3.70 3.24 -0.46 0.00 5.15 -0.07 -4.82 115.26 122.00 2grj n ASN 157 Ca 0.08 -3.38 0.05 0.00 -0.60 0.00 0.00 54.58 50.72 2grj n ASN 157 Cb 0.47 -0.63 0.12 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.56 2.74 0.00 1.20 3.02 -1.26 -4.77 115.26 116.75 2grj n ASN 158 Ca 0.29 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 2grj n ASN 158 Cb 0.44 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.03 0.00 -4.92 6.41 3.41 -1.26 -5.08 113.62 112.20 2grj n SER 159 Ca 0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 2grj n SER 159 Cb 0.44 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 3.86 3.97 0.21 6.66 -4.23 -1.26 -4.96 115.64 119.89 2grj s THR 160 Ca 0.00 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 2grj s THR 160 Cb 0.00 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.47 2grj s THR 160 CO 0.00 -0.50 1.80 0.25 -0.54 0.00 0.00 174.62 175.63 2grj h LEU 161 N 0.05 1.06 -0.90 4.79 5.85 -2.00 -1.59 115.31 122.57 2grj h LEU 161 Ca -0.46 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.13 2grj h LEU 161 Cb 1.25 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2grj h LEU 161 CO 0.60 0.91 0.59 -0.08 -0.34 0.00 0.00 178.44 180.12 2grj h GLU 162 N 1.14 1.15 -0.31 1.25 4.81 -1.99 0.23 114.58 120.86 2grj h GLU 162 Ca 0.27 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2grj h GLU 162 Cb 0.15 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2grj h GLU 162 CO -0.03 0.76 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.29 2grj h ASP 163 N 1.19 0.66 -0.52 1.04 3.32 -1.88 -1.86 116.42 118.37 2grj h ASP 163 Ca 0.34 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2grj h ASP 163 Cb -0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2grj h ASP 163 CO -0.09 0.91 0.12 0.25 -1.72 0.00 0.00 179.24 178.71 2grj h LEU 164 N 0.55 0.78 -0.66 1.55 5.85 -0.58 -2.04 115.31 120.76 2grj h LEU 164 Ca 0.07 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2grj h LEU 164 Cb 0.76 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2grj h LEU 164 CO 0.06 0.81 0.31 -0.33 -0.34 0.00 0.00 178.44 178.96 2grj h GLU 165 N 0.72 0.52 -0.38 1.25 5.08 -0.26 0.68 114.58 122.19 2grj h GLU 165 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2grj h GLU 165 Cb 0.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2grj h GLU 165 CO 0.00 0.35 0.20 -0.22 -1.00 0.00 0.00 179.01 178.34 2grj h LYS 166 N 0.54 0.54 -0.29 2.33 1.63 -1.18 -1.02 116.57 119.12 2grj h LYS 166 Ca 0.33 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.95 2grj h LYS 166 Cb 0.35 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2grj h LYS 166 CO -0.27 0.46 -0.25 0.87 -3.45 0.00 0.00 179.45 176.81 2grj h LYS 167 N 0.49 0.57 -0.52 1.90 1.57 -0.72 -1.59 116.57 118.26 2grj h LYS 167 Ca 0.13 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 2grj h LYS 167 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2grj h LYS 167 CO -0.02 0.77 -0.15 0.28 -0.57 0.00 0.00 179.45 179.76 2grj h VAL 168 N 0.50 1.27 -0.61 0.50 2.07 -0.64 -2.08 116.25 117.26 2grj h VAL 168 Ca 0.07 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2grj h VAL 168 Cb 0.69 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2grj h VAL 168 CO 0.05 0.46 0.40 -0.33 0.02 0.00 0.00 177.57 178.17 2grj h GLU 169 N 0.89 0.80 -0.50 1.57 3.07 -0.95 -2.83 114.58 116.63 2grj h GLU 169 Ca 0.13 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2grj h GLU 169 Cb 0.72 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2grj h GLU 169 CO 0.06 0.54 0.12 0.93 -1.40 0.00 0.00 179.01 179.25 2grj h GLU 170 N 0.82 0.76 -1.28 2.33 5.08 -1.16 -0.38 114.58 120.76 2grj h GLU 170 Ca 0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2grj h GLU 170 Cb -0.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2grj h GLU 170 CO -0.05 0.69 0.00 0.28 -1.00 0.00 0.00 179.01 178.93 2grj n VAL 171 N -4.29 0.30 0.00 3.13 0.31 -0.80 -2.83 118.33 114.16 2grj n VAL 171 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2grj n VAL 171 Cb 0.22 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.66 0.00 -0.05 5.55 2.85 -0.15 -1.99 118.16 125.04 2grj n LYS 173 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2grj n LYS 173 Cb 0.18 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.48 2grj n LYS 173 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2grj h LEU 174 N 0.00 0.41 -1.38 -5.58 3.38 -1.80 -3.37 115.31 106.98 2grj h LEU 174 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2grj h LEU 174 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2grj h LEU 174 CO 0.00 0.87 -0.10 1.33 0.09 0.00 0.00 178.44 180.63 2grj n VAL 175 N -4.49 0.00 -0.87 1.22 0.24 -0.84 -5.25 118.33 108.34 2grj n VAL 175 Ca -0.07 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2grj n VAL 175 Cb 0.42 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56