#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 3.52 0.00 4.41 3.76 -1.26 -4.89 115.29 120.83 2grj s HIS -1 Ca 0.00 1.18 0.00 0.00 -0.15 0.00 0.00 55.06 56.09 2grj s HIS -1 Cb 0.00 -2.81 0.00 0.00 1.11 0.00 0.00 32.58 30.88 2grj s HIS -1 CO 0.00 0.02 0.00 -2.39 -0.85 0.00 0.00 174.74 171.52 2grj n HIS 0 N 4.13 0.00 -3.55 1.40 -0.00 -1.26 -2.00 115.22 113.94 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 30.45 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 0.02 -0.36 -0.14 0.61 1.01 -1.26 -4.90 120.40 115.37 2grj s VAL 2 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2grj s VAL 2 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2grj s VAL 2 CO 0.00 0.00 -0.19 -0.63 0.00 0.00 0.00 175.10 174.28 2grj s ILE 3 N 2.07 1.89 0.08 2.22 1.01 0.07 -0.01 121.20 128.54 2grj s ILE 3 Ca -0.06 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 2grj s ILE 3 Cb -0.06 -1.69 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 2grj s ILE 3 CO -0.17 0.52 0.63 -0.83 0.00 0.00 0.00 174.94 175.08 2grj s GLY 4 N 1.01 2.73 -0.24 6.18 0.00 0.02 -1.02 107.32 116.00 2grj s GLY 4 Ca -0.04 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2grj s GLY 4 CO -0.05 0.62 -0.08 0.14 0.00 0.00 0.00 173.10 173.73 2grj s VAL 5 N -0.95 1.78 0.19 1.40 1.01 0.30 0.05 120.40 124.17 2grj s VAL 5 Ca 0.31 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2grj s VAL 5 Cb -0.20 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 2grj s VAL 5 CO 0.21 -0.02 0.04 1.07 0.00 0.00 0.00 175.10 176.40 2grj n THR 6 N 4.59 0.00 0.00 3.92 5.66 -0.32 -1.28 114.28 126.85 2grj n THR 6 Ca -0.13 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 59.86 2grj n THR 6 Cb 0.44 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 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 1.47 4.21 3.61 1.09 0.00 -1.26 -0.78 105.19 113.52 2grj n GLY 7 Ca -0.04 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.11 0.16 0.28 1.61 1.02 -1.26 -4.38 119.74 114.06 2grj s LYS 8 Ca 0.00 0.88 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 2grj s LYS 8 Cb 0.00 -1.68 -0.13 0.00 -0.52 0.00 0.00 37.83 35.51 2grj s LYS 8 CO 0.00 -3.01 1.42 1.51 -0.92 0.00 0.00 175.35 174.35 2grj n ILE 9 N -4.42 1.21 -0.99 2.17 3.06 -1.26 -2.86 119.36 116.27 2grj n ILE 9 Ca 0.06 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 60.00 2grj n ILE 9 Cb 0.55 -1.60 0.00 0.00 0.54 0.00 0.00 39.64 39.12 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 1.82 0.81 0.11 4.50 0.00 -1.26 -4.90 105.19 106.27 2grj n GLY 10 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 1.54 0.00 2.61 1.35 -1.87 -3.43 112.91 113.11 2grj h THR 11 Ca 0.00 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 2grj h THR 11 Cb 0.01 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2grj h THR 11 CO 0.00 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2grj n GLY 12 N 1.17 0.94 0.15 5.82 0.00 -1.26 -4.71 105.19 107.30 2grj n GLY 12 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.78 1.61 1.57 -1.88 -0.47 116.57 116.52 2grj h LYS 13 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2grj h LYS 13 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2grj h LYS 13 CO 0.00 -0.07 0.51 0.77 -0.57 0.00 0.00 179.45 180.10 2grj h SER 14 N -0.10 0.87 -0.08 0.86 0.02 -1.97 0.93 113.55 114.08 2grj h SER 14 Ca 0.09 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2grj h SER 14 Cb 0.23 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2grj h SER 14 CO -0.20 0.62 -0.10 0.74 -1.14 0.00 0.00 176.83 176.75 2grj h THR 15 N 1.02 1.38 -0.33 -2.27 2.02 -1.89 0.12 112.91 112.96 2grj h THR 15 Ca 0.29 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 66.22 2grj h THR 15 Cb -0.07 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2grj h THR 15 CO -0.07 0.36 0.12 0.58 0.37 0.00 0.00 175.52 176.88 2grj h VAL 16 N -0.22 0.92 -0.82 3.16 2.07 -0.92 -2.33 116.25 118.10 2grj h VAL 16 Ca 0.01 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2grj h VAL 16 Cb 0.63 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2grj h VAL 16 CO 0.02 0.05 0.44 0.00 0.02 0.00 0.00 177.57 178.10 2grj h GLU 18 N 1.15 1.24 0.17 0.00 4.39 -0.52 0.33 114.58 121.34 2grj h GLU 18 Ca 0.29 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2grj h GLU 18 Cb 0.04 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2grj h GLU 18 CO -0.04 0.83 -0.08 0.82 -1.16 0.00 0.00 179.01 179.38 2grj h ILE 19 N 1.28 0.91 -0.94 3.13 2.04 -0.66 -0.21 117.51 123.05 2grj h ILE 19 Ca 0.34 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.96 2grj h ILE 19 Cb -0.13 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.00 2grj h ILE 19 CO -0.07 0.08 0.57 -0.07 0.00 0.00 0.00 178.15 178.66 2grj h LEU 20 N -0.39 0.84 -0.07 1.44 3.38 -0.84 0.26 115.31 119.93 2grj h LEU 20 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2grj h LEU 20 Cb 0.31 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2grj h LEU 20 CO 0.04 0.45 -0.00 0.50 0.09 0.00 0.00 178.44 179.52 2grj h LYS 21 N 0.92 0.13 0.14 1.13 3.64 -0.76 -1.23 116.57 120.55 2grj h LYS 21 Ca 0.46 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.49 2grj h LYS 21 Cb 0.44 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2grj h LYS 21 CO -0.26 0.42 -1.29 -0.91 -2.27 0.00 0.00 179.45 175.14 2grj h ASN 22 N -0.16 0.89 0.15 4.20 2.35 -0.55 -2.40 115.58 120.06 2grj h ASN 22 Ca 0.02 -0.84 -0.36 0.00 -0.55 0.00 0.00 56.30 54.57 2grj h ASN 22 Cb 0.36 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 2grj h ASN 22 CO 0.00 1.64 -2.04 0.29 -1.65 0.00 0.00 177.43 175.67 2grj n LYS 23 N -3.78 0.73 -0.02 0.81 5.02 0.89 -4.55 118.16 117.25 2grj n LYS 23 Ca -0.14 0.24 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 2grj n LYS 23 Cb 1.01 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 34.40 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 0.06 -1.16 2.13 4.02 -0.55 -4.99 117.16 113.30 2grj n TYR 24 Ca -0.32 -0.06 -0.04 0.00 -0.01 0.00 0.00 57.90 57.47 2grj n TYR 24 Cb 1.04 -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 0.71 0.67 3.76 2.72 0.00 -0.70 -4.93 105.19 107.42 2grj n GLY 25 Ca 0.08 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.15 3.03 -0.38 4.61 0.00 -0.70 -4.68 121.76 121.49 2grj s ALA 26 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 51.96 53.06 2grj s ALA 26 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2grj s ALA 26 CO 0.00 -1.15 0.68 -1.58 0.00 0.00 0.00 175.76 173.71 2grj s HIS 27 N -1.30 3.12 -0.30 0.00 2.46 0.51 -4.47 115.29 115.31 2grj s HIS 27 Ca 0.65 0.31 -0.19 0.00 0.47 0.00 0.00 55.06 56.31 2grj s HIS 27 Cb -0.40 -3.26 -0.01 0.00 -0.13 0.00 0.00 32.58 28.78 2grj s HIS 27 CO 0.49 -0.71 0.55 0.08 -2.47 0.00 0.00 174.74 172.68 2grj s VAL 28 N 2.85 5.01 -0.58 0.89 1.01 -1.26 -0.58 120.40 127.73 2grj s VAL 28 Ca 0.26 0.70 -0.19 0.00 0.00 0.00 0.00 61.98 62.75 2grj s VAL 28 Cb -0.14 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.42 2grj s VAL 28 CO 0.16 -0.08 0.68 -0.69 0.00 0.00 0.00 175.10 175.17 2grj s VAL 29 N 2.43 4.85 -0.72 2.92 1.01 0.10 -4.97 120.40 126.04 2grj s VAL 29 Ca 0.22 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 2grj s VAL 29 Cb -0.15 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.78 2grj s VAL 29 CO 0.11 -1.08 1.43 0.21 0.00 0.00 0.00 175.10 175.78 2grj s ASN 30 N 3.53 5.94 0.33 3.32 3.84 -1.26 -1.35 114.94 129.29 2grj s ASN 30 Ca 0.11 -0.28 0.12 0.00 0.21 0.00 0.00 52.86 53.02 2grj s ASN 30 Cb -0.24 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.47 2grj s ASN 30 CO 0.06 -1.98 1.74 0.58 -2.79 0.00 0.00 177.10 174.72 2grj h VAL 31 N 6.27 1.34 -0.29 -5.21 2.07 -1.81 -2.57 116.25 116.05 2grj h VAL 31 Ca -0.26 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.66 2grj h VAL 31 Cb 1.08 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 2grj h VAL 31 CO 1.27 0.47 0.09 0.44 0.02 0.00 0.00 177.57 179.86 2grj h ASP 32 N 0.00 0.09 -0.64 0.57 3.32 -1.90 -0.18 116.42 117.68 2grj h ASP 32 Ca -0.00 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2grj h ASP 32 Cb 0.84 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 2grj h ASP 32 CO 0.06 0.09 0.41 0.03 -1.72 0.00 0.00 179.24 178.11 2grj h ARG 33 N 0.22 0.79 -0.93 3.56 -0.00 -1.89 -1.57 114.38 114.56 2grj h ARG 33 Ca 0.13 -0.05 0.04 0.00 -0.50 0.00 0.00 59.98 59.61 2grj h ARG 33 Cb 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 29.97 29.84 2grj h ARG 33 CO -0.14 0.52 0.60 0.82 0.00 0.00 0.00 179.97 181.77 2grj h ILE 34 N 0.81 1.13 -0.69 2.04 2.04 -1.16 -0.23 117.51 121.45 2grj h ILE 34 Ca 0.25 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2grj h ILE 34 Cb -0.03 -0.11 -0.08 0.00 -0.74 0.00 0.00 36.82 35.86 2grj h ILE 34 CO -0.08 0.21 0.31 1.23 0.00 0.00 0.00 178.15 179.81 2grj h GLY 35 N 1.14 1.01 1.40 5.37 0.00 -0.12 -1.41 103.07 110.47 2grj h GLY 35 Ca 0.38 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2grj h GLY 35 CO -0.14 0.01 0.10 0.45 0.00 0.00 0.00 176.54 176.97 2grj h HIS 36 N 0.52 0.78 -0.32 5.60 3.86 -0.16 -1.05 115.15 124.37 2grj h HIS 36 Ca 0.35 -0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.36 2grj h HIS 36 Cb 0.41 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2grj h HIS 36 CO -0.13 0.67 -0.28 0.93 0.86 0.00 0.00 177.93 179.97 2grj h GLU 37 N 0.73 0.76 -0.53 2.45 5.08 -0.92 -3.15 114.58 119.00 2grj h GLU 37 Ca 0.16 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2grj h GLU 37 Cb 0.30 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2grj h GLU 37 CO 0.00 1.01 0.11 0.28 -1.00 0.00 0.00 179.01 179.41 2grj h VAL 38 N 0.53 1.23 -0.64 3.13 2.07 -0.93 -2.77 116.25 118.87 2grj h VAL 38 Ca 0.06 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.82 2grj h VAL 38 Cb 0.85 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 2grj h VAL 38 CO 0.07 0.31 0.30 -0.07 0.02 0.00 0.00 177.57 178.20 2grj h LEU 39 N 0.79 0.38 -1.69 2.57 3.38 -1.16 -0.86 115.31 118.72 2grj h LEU 39 Ca 0.17 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2grj h LEU 39 Cb 0.32 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2grj h LEU 39 CO 0.00 0.23 0.06 -0.33 0.09 0.00 0.00 178.44 178.49 2grj h GLU 40 N 0.53 0.25 0.00 1.13 4.39 -1.48 -2.15 114.58 117.26 2grj h GLU 40 Ca 0.31 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2grj h GLU 40 Cb 0.32 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2grj h GLU 40 CO -0.26 0.23 -0.04 0.93 -1.16 0.00 0.00 179.01 178.72 2grj h GLU 41 N 0.26 0.00 -0.12 2.33 5.08 -1.01 -3.28 114.58 117.84 2grj h GLU 41 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2grj h GLU 41 Cb 0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2grj h GLU 41 CO -0.01 0.04 -0.36 1.33 -1.00 0.00 0.00 179.01 179.02 2grj n VAL 42 N -3.13 2.32 -0.27 3.13 0.24 -0.82 -4.82 118.33 114.98 2grj n VAL 42 Ca 0.01 -3.07 0.00 0.00 -2.04 0.00 0.00 64.34 59.24 2grj n VAL 42 Cb 0.39 -0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.99 -0.03 -0.44 7.34 1.57 -1.59 -1.05 116.57 123.36 2grj h LYS 43 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2grj h LYS 43 Cb 1.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2grj h LYS 43 CO 0.13 -0.02 0.17 0.93 -0.57 0.00 0.00 179.45 180.09 2grj h GLU 44 N -0.03 0.67 -0.61 3.15 5.08 -1.91 -1.68 114.58 119.24 2grj h GLU 44 Ca 0.35 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2grj h GLU 44 Cb 0.57 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2grj h GLU 44 CO -0.80 0.62 0.08 0.87 -1.00 0.00 0.00 179.01 178.78 2grj h LYS 45 N 0.57 1.00 -0.56 2.33 1.57 -1.75 -1.28 116.57 118.45 2grj h LYS 45 Ca 0.15 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2grj h LYS 45 Cb 0.21 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2grj h LYS 45 CO -0.01 0.94 0.34 -0.07 -0.57 0.00 0.00 179.45 180.08 2grj h LEU 46 N 0.94 0.55 -0.35 2.94 3.38 -0.93 0.27 115.31 122.11 2grj h LEU 46 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2grj h LEU 46 Cb 0.44 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2grj h LEU 46 CO 0.01 0.38 0.15 0.58 0.09 0.00 0.00 178.44 179.66 2grj h VAL 47 N 0.67 1.18 -0.58 1.22 2.07 -1.00 0.29 116.25 120.09 2grj h VAL 47 Ca 0.23 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2grj h VAL 47 Cb 0.03 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2grj h VAL 47 CO -0.10 0.19 0.38 -0.33 0.02 0.00 0.00 177.57 177.73 2grj h GLU 48 N 0.42 0.67 0.12 1.57 5.08 -0.85 0.66 114.58 122.25 2grj h GLU 48 Ca 0.12 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 2grj h GLU 48 Cb 0.16 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.28 2grj h GLU 48 CO -0.01 0.44 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.60 2grj h LEU 49 N 0.69 0.47 -1.58 1.33 3.38 -0.27 -3.42 115.31 115.91 2grj h LEU 49 Ca 0.23 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2grj h LEU 49 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2grj h LEU 49 CO -0.06 1.36 0.00 0.49 0.09 0.00 0.00 178.44 180.32 2grj n PHE 50 N -4.15 0.01 0.00 1.13 3.72 0.95 -5.10 117.46 114.02 2grj n PHE 50 Ca -0.13 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2grj n PHE 50 Cb 0.80 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.08 -0.81 0.20 1.37 0.00 0.22 -4.56 105.19 101.52 2grj n GLY 51 Ca 0.01 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 1.20 -0.02 0.00 -1.93 -3.23 103.07 99.09 2grj h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2grj h GLY 52 CO 0.00 0.00 0.39 1.48 0.00 0.00 0.00 176.54 178.41 2grj h SER 53 N 0.00 0.00 0.35 0.19 4.64 -1.96 -2.55 113.55 114.22 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 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2grj h SER 53 CO 0.00 0.00 -0.51 1.33 -0.87 0.00 0.00 176.83 176.78 2grj n VAL 54 N -2.81 0.00 -4.15 0.95 0.24 -1.22 -4.83 118.33 106.51 2grj n VAL 54 Ca -0.02 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 2grj n VAL 54 Cb 0.44 0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.86 3.92 0.02 1.34 1.43 -0.96 0.27 118.68 121.83 2grj s LEU 55 Ca 0.14 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2grj s LEU 55 Cb 0.18 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2grj s LEU 55 CO 0.68 0.36 -0.06 -0.62 0.23 0.00 0.00 176.35 176.93 2grj n GLU 56 N 1.81 0.09 -3.18 1.70 4.71 -0.58 -4.87 120.64 120.33 2grj n GLU 56 Ca -0.17 0.04 -0.21 0.00 -0.01 0.00 0.00 57.16 56.80 2grj n GLU 56 Cb 0.54 -0.54 -0.06 0.00 -1.01 0.00 0.00 31.44 30.37 2grj n GLU 56 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2grj n ASP 57 N -3.33 -0.80 0.00 1.62 10.43 -1.26 -4.87 116.55 118.33 2grj n ASP 57 Ca -0.02 -2.65 0.00 0.00 2.57 0.00 0.00 54.79 54.69 2grj n ASP 57 Cb 0.09 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.95 2grj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2grj n GLY 58 N 2.17 0.35 3.02 0.44 0.00 -1.26 -5.01 105.19 104.91 2grj n GLY 58 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.71 0.96 0.25 1.61 0.00 -1.26 -5.12 119.74 115.47 2grj s LYS 59 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 55.97 55.33 2grj s LYS 59 Cb 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 37.83 36.80 2grj s LYS 59 CO 0.00 0.14 1.38 0.28 0.00 0.00 0.00 175.35 177.15 2grj n VAL 60 N 3.17 1.07 -3.35 1.79 0.31 -1.26 -1.53 118.33 118.53 2grj n VAL 60 Ca -0.17 -0.27 -0.45 0.00 -0.01 0.00 0.00 64.34 63.44 2grj n VAL 60 Cb 0.55 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 2grj n VAL 60 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2grj s ASN 61 N 0.20 6.15 0.40 4.52 3.84 0.14 -4.84 114.94 125.35 2grj s ASN 61 Ca 0.67 -1.64 0.12 0.00 0.21 0.00 0.00 52.86 52.21 2grj s ASN 61 Cb -0.65 -2.19 0.84 0.00 -0.55 0.00 0.00 41.25 38.70 2grj s ASN 61 CO 0.51 -0.78 1.92 0.03 -2.79 0.00 0.00 177.10 175.99 2grj h ARG 62 N 8.83 0.11 -0.01 0.43 3.08 -1.93 -1.00 114.38 123.89 2grj h ARG 62 Ca -0.29 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 2grj h ARG 62 Cb 1.10 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 2grj h ARG 62 CO 0.98 0.31 0.00 -0.22 -1.07 0.00 0.00 179.97 179.97 2grj h LYS 63 N 0.11 0.02 -0.55 0.04 1.63 -1.97 0.13 116.57 115.96 2grj h LYS 63 Ca 0.02 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 2grj h LYS 63 Cb 0.41 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2grj h LYS 63 CO 0.03 0.15 0.08 0.87 -3.45 0.00 0.00 179.45 177.13 2grj h LYS 64 N -0.12 0.89 -0.20 1.90 1.57 -1.80 -0.69 116.57 118.11 2grj h LYS 64 Ca 0.00 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2grj h LYS 64 Cb 0.14 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2grj h LYS 64 CO -0.00 0.83 -0.11 1.25 -0.57 0.00 0.00 179.45 180.85 2grj h LEU 65 N 0.84 0.44 -0.66 2.94 5.85 -0.94 -2.60 115.31 121.18 2grj h LEU 65 Ca 0.17 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.57 2grj h LEU 65 Cb 0.38 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 2grj h LEU 65 CO 0.01 0.76 0.29 0.00 -0.34 0.00 0.00 178.44 179.16 2grj h ALA 66 N 0.69 0.88 -0.99 1.25 0.00 -0.63 0.25 119.26 120.71 2grj h ALA 66 Ca 0.04 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.25 2grj h ALA 66 Cb 0.60 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2grj h ALA 66 CO 0.03 -0.13 0.63 0.78 0.00 0.00 0.00 179.25 180.56 2grj h GLY 67 N 0.50 1.40 0.00 0.00 0.00 -0.76 -0.95 103.07 103.26 2grj h GLY 67 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2grj h GLY 67 CO -0.29 -0.09 -0.06 -2.22 0.00 0.00 0.00 176.54 173.88 2grj h ILE 68 N 0.55 0.59 -0.10 2.60 2.04 -0.92 -3.37 117.51 118.90 2grj h ILE 68 Ca 0.56 -1.46 -0.13 0.00 1.00 0.00 0.00 64.86 64.83 2grj h ILE 68 Cb 1.18 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2grj h ILE 68 CO -0.31 0.20 -0.51 -0.37 0.00 0.00 0.00 178.15 177.15 2grj h VAL 69 N -1.00 1.35 -0.25 1.67 -1.51 -0.80 -2.91 116.25 112.79 2grj h VAL 69 Ca -0.01 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.69 2grj h VAL 69 Cb 0.38 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2grj h VAL 69 CO -0.01 0.53 0.00 0.49 -1.23 0.00 0.00 177.57 177.35 2grj n PHE 70 N -3.95 0.65 0.79 5.19 3.72 -0.38 -2.82 117.46 120.67 2grj n PHE 70 Ca -0.02 -0.25 0.08 0.00 -0.05 0.00 0.00 57.45 57.21 2grj n PHE 70 Cb 0.56 -0.16 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.29 1.47 -3.70 -1.08 4.71 -1.10 -4.98 120.64 116.25 2grj n GLU 71 Ca 0.10 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.16 56.97 2grj n GLU 71 Cb 0.48 -1.30 -0.10 0.00 -1.01 0.00 0.00 31.44 29.50 2grj n GLU 71 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2grj s SER 72 N -2.48 -0.55 0.26 1.62 1.04 -1.13 -5.03 113.70 107.44 2grj s SER 72 Ca 0.08 0.96 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 2grj s SER 72 Cb 0.13 0.87 0.31 0.00 0.10 0.00 0.00 66.02 67.43 2grj s SER 72 CO 0.64 -0.19 1.92 0.03 0.98 0.00 0.00 173.24 176.62 2grj h ARG 73 N 6.70 1.21 0.01 4.02 2.47 -1.95 -1.66 114.38 125.18 2grj h ARG 73 Ca -0.34 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2grj h ARG 73 Cb 1.19 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.24 2grj h ARG 73 CO 0.26 0.83 -0.02 0.93 0.56 0.00 0.00 179.97 182.54 2grj h GLU 74 N 1.24 -0.04 -0.58 0.04 3.07 -1.96 -0.53 114.58 115.82 2grj h GLU 74 Ca 0.33 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 2grj h GLU 74 Cb -0.08 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2grj h GLU 74 CO -0.06 -0.03 -0.02 -0.91 -1.40 0.00 0.00 179.01 176.59 2grj h ASN 75 N -0.04 1.01 -0.60 1.42 2.35 -1.80 -2.15 115.58 115.78 2grj h ASN 75 Ca 0.01 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2grj h ASN 75 Cb 0.04 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2grj h ASN 75 CO -0.01 1.08 0.38 0.25 -1.65 0.00 0.00 177.43 177.47 2grj h LEU 76 N 0.94 0.70 -1.23 1.61 5.85 -1.18 -2.30 115.31 119.71 2grj h LEU 76 Ca 0.17 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2grj h LEU 76 Cb 0.57 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2grj h LEU 76 CO 0.03 0.53 -0.21 0.50 -0.34 0.00 0.00 178.44 178.94 2grj h LYS 77 N 0.81 0.26 -0.62 1.25 3.64 -0.73 -0.81 116.57 120.36 2grj h LYS 77 Ca 0.22 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2grj h LYS 77 Cb -0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2grj h LYS 77 CO -0.04 0.47 0.41 0.87 -2.27 0.00 0.00 179.45 178.88 2grj h LYS 78 N 0.24 0.80 -0.39 1.90 1.57 -0.87 -0.59 116.57 119.24 2grj h LYS 78 Ca 0.04 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2grj h LYS 78 Cb 0.52 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2grj h LYS 78 CO 0.04 0.53 -0.09 1.25 -0.57 0.00 0.00 179.45 180.60 2grj h LEU 79 N 0.82 0.75 -0.47 2.94 5.85 -0.88 -2.86 115.31 121.47 2grj h LEU 79 Ca 0.23 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2grj h LEU 79 Cb -0.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2grj h LEU 79 CO -0.06 0.94 0.31 -0.33 -0.34 0.00 0.00 178.44 178.96 2grj h GLU 80 N 0.56 0.62 -0.11 1.25 5.08 -0.97 -0.99 114.58 120.02 2grj h GLU 80 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2grj h GLU 80 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2grj h GLU 80 CO 0.04 0.41 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.37 2grj h LEU 81 N 0.63 0.13 -0.00 1.33 3.38 -1.09 -1.09 115.31 118.60 2grj h LEU 81 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2grj h LEU 81 Cb -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2grj h LEU 81 CO -0.04 0.18 -0.08 0.25 0.09 0.00 0.00 178.44 178.85 2grj h LEU 82 N 0.15 0.07 0.00 1.67 5.85 -1.18 -3.42 115.31 118.45 2grj h LEU 82 Ca 0.04 -0.76 -0.33 0.00 0.84 0.00 0.00 57.88 57.66 2grj h LEU 82 Cb 0.13 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2grj h LEU 82 CO 0.00 0.82 -2.17 1.33 -0.34 0.00 0.00 178.44 178.08 2grj n VAL 83 N -4.66 1.41 -0.15 1.05 0.24 -0.42 -4.53 118.33 111.26 2grj n VAL 83 Ca -0.09 -0.83 -0.07 0.00 -2.04 0.00 0.00 64.34 61.31 2grj n VAL 83 Cb 0.41 -0.61 0.02 0.00 -1.47 0.00 0.00 33.84 32.19 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 0.56 -0.53 6.34 3.86 -1.42 -2.88 115.15 121.07 2grj h HIS 84 Ca -0.46 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 58.84 2grj h HIS 84 Cb 2.14 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 30.37 2grj h HIS 84 CO 0.00 0.34 0.22 -1.35 0.86 0.00 0.00 177.93 178.00 2grj h PRO 85 N 0.60 0.41 -1.39 2.45 0.11 -1.80 -0.85 132.00 131.53 2grj h PRO 85 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2grj h PRO 85 Cb -0.04 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 30.98 2grj h PRO 85 CO -0.06 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 179.28 2grj n LEU 86 N -4.96 0.36 0.00 2.35 4.32 -1.09 -1.82 117.00 116.16 2grj n LEU 86 Ca 0.06 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 2grj n LEU 86 Cb 0.20 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2grj n LEU 86 CO 0.25 0.06 0.00 1.17 -1.22 0.00 0.00 177.39 177.66 2grj n LYS 88 N 0.79 0.00 -0.30 3.23 4.81 -0.32 -1.91 118.16 124.46 2grj n LYS 88 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2grj n LYS 88 Cb 0.06 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.22 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 0.98 -0.52 1.64 1.57 -1.62 -0.54 116.57 118.08 2grj h LYS 89 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2grj h LYS 89 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2grj h LYS 89 CO 0.00 0.65 0.02 -0.09 -0.57 0.00 0.00 179.45 179.45 2grj h ARG 90 N 1.01 0.91 0.15 3.15 9.65 -1.66 -1.44 114.38 126.16 2grj h ARG 90 Ca 0.33 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2grj h ARG 90 Cb 0.02 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 2grj h ARG 90 CO -0.12 0.93 -0.07 0.28 2.80 0.00 0.00 179.97 183.79 2grj h VAL 91 N 0.79 0.88 -0.70 0.20 2.07 -1.72 -2.23 116.25 115.53 2grj h VAL 91 Ca 0.15 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.68 2grj h VAL 91 Cb 0.50 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 2grj h VAL 91 CO 0.02 0.03 0.21 1.56 0.02 0.00 0.00 177.57 179.42 2grj h GLN 92 N -0.26 0.33 -0.68 1.57 4.20 -0.95 -0.70 115.11 118.61 2grj h GLN 92 Ca -0.02 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2grj h GLN 92 Cb 0.21 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2grj h GLN 92 CO 0.03 0.22 0.45 1.49 -0.67 0.00 0.00 178.83 180.35 2grj h GLU 93 N 0.34 0.90 -0.22 1.46 4.81 -1.07 -0.25 114.58 120.54 2grj h GLU 93 Ca 0.38 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2grj h GLU 93 Cb 0.59 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2grj h GLU 93 CO -0.43 0.59 0.02 0.82 -0.73 0.00 0.00 179.01 179.28 2grj h ILE 94 N 0.92 1.24 -0.50 2.32 2.04 -0.73 -2.77 117.51 120.04 2grj h ILE 94 Ca 0.25 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.38 2grj h ILE 94 Cb -0.10 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2grj h ILE 94 CO -0.06 0.26 0.06 0.40 0.00 0.00 0.00 178.15 178.81 2grj h ILE 95 N 0.16 0.68 0.00 -0.67 2.04 -0.83 -2.34 117.51 116.55 2grj h ILE 95 Ca 0.07 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2grj h ILE 95 Cb 0.36 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2grj h ILE 95 CO 0.01 0.03 -0.04 0.78 0.00 0.00 0.00 178.15 178.93 2grj h ASN 96 N 0.19 0.00 -0.60 1.72 2.35 -0.81 -2.72 115.58 115.70 2grj h ASN 96 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2grj h ASN 96 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2grj h ASN 96 CO -0.36 0.04 0.00 0.29 -1.65 0.00 0.00 177.43 175.76 2grj n LYS 97 N -4.45 2.66 -4.58 0.81 5.02 -0.92 -4.75 118.16 111.95 2grj n LYS 97 Ca -0.03 -2.50 -0.23 0.00 -2.02 0.00 0.00 58.31 53.53 2grj n LYS 97 Cb 0.13 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.13 1.08 0.34 -0.18 2.01 -1.00 -5.07 115.64 111.69 2grj s THR 98 Ca 0.44 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 62.00 2grj s THR 98 Cb 0.24 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 2grj s THR 98 CO 0.31 0.33 0.43 -0.44 -0.69 0.00 0.00 174.62 174.55 2grj s SER 99 N 0.22 5.75 0.00 3.53 0.01 -1.26 -4.69 113.70 117.26 2grj s SER 99 Ca -0.05 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2grj s SER 99 Cb -0.11 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2grj s SER 99 CO 0.02 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2grj n GLY 100 N -1.58 -0.51 3.65 3.44 0.00 -0.85 -4.79 105.19 104.55 2grj n GLY 100 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 4.09 -0.09 0.99 2.96 -1.26 -4.39 118.68 120.98 2grj s LEU 101 Ca 0.00 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 2grj s LEU 101 Cb 0.00 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 2grj s LEU 101 CO 0.00 -0.53 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.67 2grj s ILE 102 N 2.83 2.47 -0.15 6.68 1.01 -1.26 -0.36 121.20 132.41 2grj s ILE 102 Ca 0.36 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2grj s ILE 102 Cb -0.15 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 2grj s ILE 102 CO 0.08 0.56 -0.16 -0.69 0.00 0.00 0.00 174.94 174.72 2grj s VAL 103 N 0.07 2.60 -0.43 2.92 1.01 0.25 -0.75 120.40 126.08 2grj s VAL 103 Ca -0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2grj s VAL 103 Cb -0.15 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.21 2grj s VAL 103 CO 0.05 0.52 0.29 -0.63 0.00 0.00 0.00 175.10 175.33 2grj s ILE 104 N 0.77 4.54 -0.38 2.22 1.01 -0.18 0.03 121.20 129.20 2grj s ILE 104 Ca -0.06 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.16 2grj s ILE 104 Cb -0.15 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2grj s ILE 104 CO 0.00 -0.49 0.58 -0.70 0.00 0.00 0.00 174.94 174.34 2grj s GLU 105 N 1.50 3.51 -0.30 2.79 2.12 -0.46 -0.54 118.70 127.33 2grj s GLU 105 Ca 0.03 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.05 2grj s GLU 105 Cb -0.23 -3.86 0.14 0.00 0.26 0.00 0.00 34.13 30.44 2grj s GLU 105 CO 0.04 -0.79 0.75 0.00 -0.54 0.00 0.00 175.26 174.73 2grj s ALA 106 N 2.59 -2.24 0.27 6.30 0.00 -0.41 -2.06 121.76 126.21 2grj s ALA 106 Ca 0.21 2.26 -0.00 0.00 0.00 0.00 0.00 51.96 54.43 2grj s ALA 106 Cb -0.15 -1.85 0.58 0.00 0.00 0.00 0.00 23.12 21.70 2grj s ALA 106 CO 0.15 -0.92 1.73 0.00 0.00 0.00 0.00 175.76 176.72 2grj h ALA 107 N 7.81 1.25 -0.97 0.00 0.00 -1.79 -2.67 119.26 122.90 2grj h ALA 107 Ca -0.18 0.12 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 2grj h ALA 107 Cb 1.11 0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.70 2grj h ALA 107 CO 0.10 -0.22 0.83 1.28 0.00 0.00 0.00 179.25 181.23 2grj n LEU 108 N -4.98 7.53 -0.09 0.00 4.77 -1.26 -4.24 117.00 118.73 2grj n LEU 108 Ca 0.18 -4.15 -0.06 0.00 -0.03 0.00 0.00 56.01 51.94 2grj n LEU 108 Cb 0.51 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2grj n LEU 108 CO 0.17 1.41 0.76 0.25 -1.33 0.00 0.00 177.39 178.65 2grj h LEU 109 N 1.93 -0.49 0.02 2.23 5.85 -1.84 -2.76 115.31 120.24 2grj h LEU 109 Ca 0.59 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.43 2grj h LEU 109 Cb 1.03 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2grj h LEU 109 CO 1.49 -0.18 -0.01 0.50 -0.34 0.00 0.00 178.44 179.91 2grj h LYS 110 N -0.09 -0.03 -1.90 1.25 3.64 -1.88 -1.24 116.57 116.32 2grj h LYS 110 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2grj h LYS 110 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2grj h LYS 110 CO -0.39 0.47 0.00 -2.13 -2.27 0.00 0.00 179.45 175.13 2grj n ARG 111 N -4.86 0.00 -0.48 1.90 0.63 -1.04 -4.43 116.66 108.38 2grj n ARG 111 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2grj n ARG 111 Cb 0.26 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.80 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 1.13 0.77 0.15 5.14 0.00 -1.15 -5.14 105.19 106.08 2grj n GLY 113 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.97 0.99 3.38 -1.44 -3.19 115.31 113.08 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 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2grj h LEU 114 CO 0.00 0.56 0.38 -2.24 0.09 0.00 0.00 178.44 177.23 2grj h ASP 115 N 0.00 0.03 0.37 -0.43 2.03 -1.82 0.11 116.42 116.71 2grj h ASP 115 Ca -0.01 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2grj h ASP 115 Cb 1.13 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2grj h ASP 115 CO 0.07 0.02 -0.07 1.56 -1.03 0.00 0.00 179.24 179.79 2grj h GLN 116 N 0.03 0.00 -0.00 4.15 4.20 -1.88 -2.03 115.11 119.58 2grj h GLN 116 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2grj h GLN 116 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2grj h GLN 116 CO -0.01 0.07 -0.04 1.28 -0.67 0.00 0.00 178.83 179.46 2grj n LEU 117 N -3.48 0.40 -4.80 1.46 4.77 0.38 -4.91 117.00 110.83 2grj n LEU 117 Ca -0.02 -0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.57 2grj n LEU 117 Cb 0.21 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2grj n LEU 117 CO 0.28 0.07 -0.22 0.00 -1.33 0.00 0.00 177.39 176.19 2grj h ASP 119 N 5.23 0.49 -5.15 0.00 3.32 -0.74 -3.46 116.42 116.12 2grj h ASP 119 Ca -0.52 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.06 2grj h ASP 119 Cb 1.21 -0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.45 2grj h ASP 119 CO 0.59 1.13 -0.55 -1.00 -1.72 0.00 0.00 179.24 177.68 2grj s HIS 120 N -3.43 0.30 -0.04 4.55 3.76 -1.11 -5.05 115.29 114.27 2grj s HIS 120 Ca -0.06 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.18 2grj s HIS 120 Cb 0.10 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.58 2grj s HIS 120 CO 0.85 -0.40 -0.14 0.08 -0.85 0.00 0.00 174.74 174.28 2grj s VAL 121 N -3.25 1.20 -0.16 -0.90 1.01 -1.26 -0.80 120.40 116.24 2grj s VAL 121 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2grj s VAL 121 Cb 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2grj s VAL 121 CO -0.08 0.36 -0.01 -0.63 0.00 0.00 0.00 175.10 174.74 2grj s ILE 122 N 0.20 4.15 -0.21 2.22 1.01 0.11 -1.00 121.20 127.67 2grj s ILE 122 Ca -0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 2grj s ILE 122 Cb -0.11 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2grj s ILE 122 CO 0.02 0.49 -0.01 -0.89 0.00 0.00 0.00 174.94 174.55 2grj s THR 123 N 0.31 3.74 -0.06 2.92 2.01 -0.20 -1.17 115.64 123.18 2grj s THR 123 Ca -0.02 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2grj s THR 123 Cb -0.14 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2grj s THR 123 CO 0.02 0.41 0.58 -0.69 -0.69 0.00 0.00 174.62 174.25 2grj s VAL 124 N 1.28 5.05 0.21 3.82 1.01 0.04 -1.42 120.40 130.39 2grj s VAL 124 Ca 0.04 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.29 2grj s VAL 124 Cb -0.15 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2grj s VAL 124 CO 0.00 0.34 -0.17 0.68 0.00 0.00 0.00 175.10 175.95 2grj s VAL 125 N 0.36 1.95 -0.18 2.92 -7.23 -0.77 -4.21 120.40 113.24 2grj s VAL 125 Ca 0.31 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2grj s VAL 125 Cb -0.17 -2.04 0.13 0.00 0.56 0.00 0.00 36.38 34.87 2grj s VAL 125 CO 0.15 -0.44 1.03 0.00 -0.31 0.00 0.00 175.10 175.53 2grj s ALA 126 N -2.52 -1.95 0.76 1.32 0.00 -1.26 -0.84 121.76 117.27 2grj s ALA 126 Ca 0.22 1.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 2grj s ALA 126 Cb -0.04 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.32 2grj s ALA 126 CO 0.09 -0.30 1.16 -1.54 0.00 0.00 0.00 175.76 175.17 2grj s SER 127 N -1.02 4.13 0.22 0.00 1.04 -1.26 -4.78 113.70 112.04 2grj s SER 127 Ca -0.01 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.51 2grj s SER 127 Cb -0.01 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.76 2grj s SER 127 CO 0.00 -2.29 1.89 -0.09 0.98 0.00 0.00 173.24 173.72 2grj h ARG 128 N -0.71 1.05 -0.59 4.02 2.43 -2.01 -0.72 114.38 117.86 2grj h ARG 128 Ca -0.46 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.58 2grj h ARG 128 Cb 1.27 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2grj h ARG 128 CO 0.49 0.70 0.10 0.93 -1.51 0.00 0.00 179.97 180.68 2grj h GLU 129 N 1.09 0.93 -0.38 0.20 5.08 -1.99 -0.86 114.58 118.64 2grj h GLU 129 Ca 0.32 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2grj h GLU 129 Cb -0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2grj h GLU 129 CO -0.09 0.86 0.19 1.15 -1.00 0.00 0.00 179.01 180.12 2grj h THR 130 N 0.89 1.17 -0.39 1.13 2.02 -1.76 -2.30 112.91 113.67 2grj h THR 130 Ca 0.18 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2grj h THR 130 Cb 0.37 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2grj h THR 130 CO 0.01 0.18 0.21 0.40 0.37 0.00 0.00 175.52 176.68 2grj h ILE 131 N 0.48 1.15 -0.33 3.11 2.04 -0.68 -2.73 117.51 120.55 2grj h ILE 131 Ca 0.13 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2grj h ILE 131 Cb 0.11 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2grj h ILE 131 CO -0.02 0.16 -0.11 -0.07 0.00 0.00 0.00 178.15 178.11 2grj h LEU 132 N 0.49 0.54 -1.70 1.44 3.38 -1.08 -1.47 115.31 116.91 2grj h LEU 132 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2grj h LEU 132 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2grj h LEU 132 CO -0.02 0.68 -0.18 0.11 0.09 0.00 0.00 178.44 179.12 2grj h LYS 133 N 0.51 0.00 0.00 1.13 6.56 -1.25 -3.28 116.57 120.25 2grj h LYS 133 Ca 0.10 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.38 2grj h LYS 133 Cb 0.49 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.10 2grj h LYS 133 CO 0.03 0.18 -1.89 0.54 -2.06 0.00 0.00 179.45 176.24 2grj n ARG 134 N -3.78 0.65 -3.80 3.15 1.74 -0.66 -4.96 116.66 109.00 2grj n ARG 134 Ca -0.02 0.21 -0.14 0.00 -0.77 0.00 0.00 57.85 57.13 2grj n ARG 134 Cb 0.28 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 29.85 2grj n ARG 134 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2grj s ASN 135 N -5.91 0.04 0.05 0.55 3.84 -0.65 -5.06 114.94 107.80 2grj s ASN 135 Ca -0.06 0.04 0.06 0.00 0.21 0.00 0.00 52.86 53.11 2grj s ASN 135 Cb 0.07 -0.03 -0.23 0.00 -0.55 0.00 0.00 41.25 40.51 2grj s ASN 135 CO 0.83 -0.08 1.00 0.08 -2.79 0.00 0.00 177.10 176.14 2grj h ARG 136 N 6.88 0.06 0.00 0.43 -0.00 -1.88 -3.21 114.38 116.66 2grj h ARG 136 Ca -0.38 -0.11 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 2grj h ARG 136 Cb 1.15 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 2grj h ARG 136 CO 0.49 0.88 0.00 0.39 -0.00 0.00 0.00 179.97 181.73 2grj n GLU 137 N -3.29 0.19 -0.11 0.08 1.02 -1.26 -4.06 120.64 113.22 2grj n GLU 137 Ca -0.09 0.37 -0.07 0.00 -0.02 0.00 0.00 57.16 57.36 2grj n GLU 137 Cb 1.00 -1.84 0.10 0.00 -0.02 0.00 0.00 31.44 30.68 2grj n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2grj h ALA 138 N 2.33 0.93 -0.60 0.62 0.00 -1.91 -1.80 119.26 118.83 2grj h ALA 138 Ca 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.68 2grj h ALA 138 Cb 0.42 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 2grj h ALA 138 CO 0.00 0.62 -0.31 0.22 0.00 0.00 0.00 179.25 179.78 2grj h ASP 139 N 0.73 -1.07 -0.28 0.00 1.82 -1.80 -0.76 116.42 115.06 2grj h ASP 139 Ca 0.12 0.22 -0.17 0.00 -0.39 0.00 0.00 57.03 56.81 2grj h ASP 139 Cb 0.64 0.55 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 2grj h ASP 139 CO 0.04 -0.29 -0.48 -0.09 -1.61 0.00 0.00 179.24 176.82 2grj h ARG 140 N -0.14 0.81 0.00 0.28 2.43 -1.63 -3.35 114.38 112.78 2grj h ARG 140 Ca 0.25 -0.50 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 2grj h ARG 140 Cb 0.54 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2grj h ARG 140 CO -0.68 1.13 -1.08 0.54 -1.51 0.00 0.00 179.97 178.37 2grj n ARG 141 N -4.09 0.61 0.02 0.20 1.74 -0.75 -3.68 116.66 110.70 2grj n ARG 141 Ca -0.05 0.15 0.04 0.00 -0.77 0.00 0.00 57.85 57.22 2grj n ARG 141 Cb 0.59 -1.83 0.42 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.43 -2.09 0.55 3.38 -1.28 -1.81 115.31 114.48 2grj h LEU 142 Ca -0.03 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2grj h LEU 142 Cb 1.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2grj h LEU 142 CO 0.01 0.35 0.32 0.11 0.09 0.00 0.00 178.44 179.31 2grj h LYS 143 N 0.50 0.00 -0.53 1.13 1.57 -1.73 -0.06 116.57 117.46 2grj h LYS 143 Ca 0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2grj h LYS 143 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2grj h LYS 143 CO -0.02 0.00 0.05 1.19 -0.57 0.00 0.00 179.45 180.10 2grj n PHE 144 N -3.85 1.87 -0.59 -1.35 3.01 -0.68 -4.41 117.46 111.45 2grj n PHE 144 Ca 0.05 -0.88 0.01 0.00 1.01 0.00 0.00 57.45 57.64 2grj n PHE 144 Cb 0.48 -0.50 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 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 0.15 1.64 0.19 -1.08 6.02 -0.04 -4.82 117.38 119.45 2grj n GLN 145 Ca 0.29 -1.29 0.18 0.00 -0.01 0.00 0.00 57.00 56.17 2grj n GLN 145 Cb 1.16 -0.87 0.82 0.00 1.02 0.00 0.00 30.24 32.38 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 -1.77 -0.04 114.58 116.75 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 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2grj h GLU 146 CO 0.00 0.00 -0.02 -0.40 -1.00 0.00 0.00 179.01 177.59 2grj n ASP 147 N -3.75 0.84 -4.46 1.42 5.75 -1.26 -4.60 116.55 110.49 2grj n ASP 147 Ca 0.02 -1.21 -0.44 0.00 -0.01 0.00 0.00 54.79 53.15 2grj n ASP 147 Cb 0.37 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 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 -2.06 4.67 0.21 2.12 1.01 -0.03 -4.95 121.20 122.17 2grj s ILE 148 Ca 0.40 -1.57 0.07 0.00 0.00 0.00 0.00 60.65 59.55 2grj s ILE 148 Cb 0.21 -4.82 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2grj s ILE 148 CO 0.37 -1.56 0.12 0.68 0.00 0.00 0.00 174.94 174.54 2grj s VAL 149 N 2.84 4.22 0.19 2.92 -7.23 -1.26 -4.74 120.40 117.35 2grj s VAL 149 Ca 0.35 -1.34 -0.33 0.00 -1.81 0.00 0.00 61.98 58.85 2grj s VAL 149 Cb -0.04 -3.20 -0.13 0.00 0.56 0.00 0.00 36.38 33.56 2grj s VAL 149 CO -0.09 -0.22 1.53 -2.65 -0.31 0.00 0.00 175.10 173.37 2grj n PRO 150 N -0.64 2.18 -3.82 4.82 -0.02 -1.26 -4.99 135.00 131.26 2grj n PRO 150 Ca -0.08 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2grj n PRO 150 Cb 0.56 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 2grj n PRO 150 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2grj s GLN 151 N 0.43 0.50 7.37 -0.52 0.74 -1.26 -5.08 119.66 121.85 2grj s GLN 151 Ca 0.74 -0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.97 2grj s GLN 151 Cb -0.65 0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.68 2grj s GLN 151 CO 0.42 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 2grj n GLY 152 N 1.71 2.56 3.55 2.59 0.00 -1.26 -3.25 105.19 111.09 2grj n GLY 152 Ca -0.20 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 5.20 -0.15 -0.61 1.01 -0.17 -4.90 121.20 121.57 2grj s ILE 153 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2grj s ILE 153 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2grj s ILE 153 CO 0.00 0.17 0.71 -0.69 0.00 0.00 0.00 174.94 175.13 2grj s VAL 154 N 1.73 4.99 -0.37 2.92 1.01 -1.26 -1.03 120.40 128.38 2grj s VAL 154 Ca 0.07 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 2grj s VAL 154 Cb -0.16 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 32.29 2grj s VAL 154 CO 0.10 0.13 0.13 -0.69 0.00 0.00 0.00 175.10 174.77 2grj s VAL 155 N 1.64 2.96 0.08 2.92 1.01 -0.51 -4.95 120.40 123.55 2grj s VAL 155 Ca 0.34 -2.04 -0.31 0.00 0.00 0.00 0.00 61.98 59.97 2grj s VAL 155 Cb -0.17 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2grj s VAL 155 CO 0.13 -0.58 1.27 0.00 0.00 0.00 0.00 175.10 175.92 2grj s ALA 156 N 1.09 3.47 -0.58 5.51 0.00 -1.26 -1.85 121.76 128.13 2grj s ALA 156 Ca 0.07 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.03 2grj s ALA 156 Cb -0.21 -3.48 0.31 0.00 0.00 0.00 0.00 23.12 19.74 2grj s ALA 156 CO -0.05 -0.51 0.87 -1.71 0.00 0.00 0.00 175.76 174.36 2grj n ASN 157 N 3.97 3.96 -0.52 0.00 5.15 -0.02 -4.82 115.26 122.98 2grj n ASN 157 Ca 0.10 -3.55 0.05 0.00 -0.60 0.00 0.00 54.58 50.58 2grj n ASN 157 Cb 0.45 -0.60 0.14 0.00 -0.53 0.00 0.00 39.78 39.24 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 0.15 2.89 0.00 1.20 3.02 -1.26 -4.77 115.26 116.48 2grj n ASN 158 Ca 0.30 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2grj n ASN 158 Cb 0.42 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.04 0.00 -4.92 6.41 3.41 -1.26 -5.08 113.62 112.14 2grj n SER 159 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 2grj n SER 159 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 3.78 4.70 0.22 6.66 -4.23 -1.26 -4.97 115.64 120.54 2grj s THR 160 Ca 0.00 -0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.34 2grj s THR 160 Cb 0.00 -3.77 0.18 0.00 1.34 0.00 0.00 72.50 70.25 2grj s THR 160 CO 0.00 -0.67 1.88 0.25 -0.54 0.00 0.00 174.62 175.54 2grj h LEU 161 N 0.34 0.97 -0.94 4.79 5.85 -2.00 -1.39 115.31 122.93 2grj h LEU 161 Ca -0.47 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.22 2grj h LEU 161 Cb 1.22 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2grj h LEU 161 CO 0.61 0.73 0.62 -0.08 -0.34 0.00 0.00 178.44 179.98 2grj h GLU 162 N 1.12 1.19 -0.68 1.25 4.81 -1.99 0.16 114.58 120.45 2grj h GLU 162 Ca 0.30 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2grj h GLU 162 Cb -0.08 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.01 2grj h GLU 162 CO -0.06 0.79 0.10 -0.44 -0.73 0.00 0.00 179.01 178.67 2grj h ASP 163 N 1.23 1.08 -0.59 1.04 3.32 -1.82 -1.46 116.42 119.22 2grj h ASP 163 Ca 0.36 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2grj h ASP 163 Cb -0.06 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 2grj h ASP 163 CO -0.10 1.07 0.29 0.25 -1.72 0.00 0.00 179.24 179.03 2grj h LEU 164 N 1.05 0.76 -0.93 1.55 5.85 -0.66 -1.83 115.31 121.10 2grj h LEU 164 Ca 0.20 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2grj h LEU 164 Cb 0.45 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2grj h LEU 164 CO 0.01 0.67 0.61 -0.33 -0.34 0.00 0.00 178.44 179.06 2grj h GLU 165 N 0.80 1.20 -0.61 1.25 5.08 -0.37 0.17 114.58 122.10 2grj h GLU 165 Ca 0.20 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2grj h GLU 165 Cb 0.10 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2grj h GLU 165 CO -0.03 0.79 0.16 0.87 -1.00 0.00 0.00 179.01 179.81 2grj h LYS 166 N 1.24 0.97 -0.63 2.33 6.56 -0.96 -1.51 116.57 124.57 2grj h LYS 166 Ca 0.35 -0.23 -0.09 0.00 -1.06 0.00 0.00 60.65 59.62 2grj h LYS 166 Cb -0.11 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.39 2grj h LYS 166 CO -0.08 0.88 0.03 0.87 -2.06 0.00 0.00 179.45 179.08 2grj h LYS 167 N 0.89 1.09 -0.67 3.15 1.57 -0.64 -1.59 116.57 120.37 2grj h LYS 167 Ca 0.19 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 2grj h LYS 167 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2grj h LYS 167 CO -0.00 1.04 0.10 0.28 -0.57 0.00 0.00 179.45 180.30 2grj h VAL 168 N 1.00 1.26 -0.52 0.50 2.07 -0.81 -1.60 116.25 118.15 2grj h VAL 168 Ca 0.18 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 2grj h VAL 168 Cb 0.53 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2grj h VAL 168 CO 0.03 0.40 0.22 -0.08 0.02 0.00 0.00 177.57 178.15 2grj h GLU 169 N 1.04 0.77 -0.79 1.57 4.81 -1.02 -2.86 114.58 118.10 2grj h GLU 169 Ca 0.20 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2grj h GLU 169 Cb 0.45 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2grj h GLU 169 CO 0.01 0.67 0.45 0.93 -0.73 0.00 0.00 179.01 180.35 2grj h GLU 170 N 0.70 1.09 -1.38 1.92 4.39 -0.94 -0.55 114.58 119.82 2grj h GLU 170 Ca 0.18 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2grj h GLU 170 Cb 0.17 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2grj h GLU 170 CO -0.02 0.78 0.00 0.28 -1.16 0.00 0.00 179.01 178.89 2grj n VAL 171 N -4.36 0.29 0.00 3.13 0.31 -0.64 -2.59 118.33 114.48 2grj n VAL 171 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2grj n VAL 171 Cb 0.08 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2grj n VAL 171 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2grj n LYS 173 N 0.72 0.00 -0.06 5.55 5.02 -0.22 -2.09 118.16 127.09 2grj n LYS 173 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2grj n LYS 173 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.11 2grj n LYS 173 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2grj h LEU 174 N 0.00 0.81 -2.66 -0.35 3.38 -1.77 -3.36 115.31 111.36 2grj h LEU 174 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2grj h LEU 174 Cb 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2grj h LEU 174 CO 0.00 1.23 0.00 1.33 0.09 0.00 0.00 178.44 181.09 2grj n VAL 175 N -4.13 0.86 -0.22 1.22 0.24 -0.89 -5.25 118.33 110.17 2grj n VAL 175 Ca -0.06 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 2grj n VAL 175 Cb 0.60 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56