#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 3.00 0.00 4.41 -0.00 -1.26 -4.74 115.29 116.69 2grj s HIS -1 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 55.06 56.01 2grj s HIS -1 Cb 0.00 -3.60 0.00 0.00 -0.00 0.00 0.00 32.58 28.98 2grj s HIS -1 CO 0.00 -2.12 0.00 -2.39 -0.00 0.00 0.00 174.74 170.23 2grj n HIS 0 N 5.12 0.00 -3.57 0.38 1.44 -1.26 -1.82 115.22 115.50 2grj n HIS 0 Ca 0.12 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.81 2grj n HIS 0 Cb 0.44 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.50 2grj n HIS 0 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2grj s VAL 2 N 0.30 -0.41 -0.16 0.61 1.01 -1.26 -4.90 120.40 115.58 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 -0.18 -0.63 0.00 0.00 0.00 175.10 174.29 2grj s ILE 3 N 2.14 1.91 0.15 2.22 1.01 0.17 -0.26 121.20 128.54 2grj s ILE 3 Ca -0.06 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2grj s ILE 3 Cb -0.07 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.60 2grj s ILE 3 CO -0.18 0.52 0.84 -0.83 0.00 0.00 0.00 174.94 175.28 2grj s GLY 4 N 1.28 2.95 -0.27 6.18 0.00 -0.05 -0.70 107.32 116.70 2grj s GLY 4 Ca 0.03 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.20 2grj s GLY 4 CO -0.11 1.07 -0.02 0.14 0.00 0.00 0.00 173.10 174.18 2grj s VAL 5 N -0.74 1.69 0.31 1.40 1.01 0.01 0.10 120.40 124.18 2grj s VAL 5 Ca 0.39 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2grj s VAL 5 Cb -0.23 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 2grj s VAL 5 CO 0.27 -0.26 0.04 1.07 0.00 0.00 0.00 175.10 176.22 2grj n THR 6 N 4.57 0.00 0.00 3.92 5.66 0.01 -1.97 114.28 126.48 2grj n THR 6 Ca -0.08 -1.58 0.00 0.00 -3.05 0.00 0.00 64.05 59.34 2grj n THR 6 Cb 0.43 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 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 0.71 4.27 3.58 1.09 0.00 -1.26 -0.87 105.19 112.71 2grj n GLY 7 Ca -0.10 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.49 -0.05 0.17 1.61 1.02 -1.26 -4.41 119.74 113.33 2grj s LYS 8 Ca 0.00 1.02 -0.33 0.00 0.02 0.00 0.00 55.97 56.67 2grj s LYS 8 Cb 0.00 -1.64 -0.15 0.00 -0.52 0.00 0.00 37.83 35.52 2grj s LYS 8 CO 0.00 -3.19 1.34 1.51 -0.92 0.00 0.00 175.35 174.09 2grj n ILE 9 N -4.57 0.55 -0.38 2.17 3.06 -1.26 -2.76 119.36 116.16 2grj n ILE 9 Ca 0.06 -0.14 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 2grj n ILE 9 Cb 0.54 -1.13 0.00 0.00 0.54 0.00 0.00 39.64 39.59 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 2.42 1.55 0.09 4.50 0.00 -1.26 -4.89 105.19 107.59 2grj n GLY 10 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 1.60 0.00 2.61 1.35 -1.86 -3.44 112.91 113.17 2grj h THR 11 Ca 0.00 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 2grj h THR 11 Cb 0.00 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2grj h THR 11 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2grj n GLY 12 N 0.86 0.95 0.10 5.82 0.00 -1.26 -4.69 105.19 106.96 2grj n GLY 12 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.05 -0.95 1.61 1.57 -1.89 -0.19 116.57 116.67 2grj h LYS 13 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2grj h LYS 13 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2grj h LYS 13 CO 0.00 -0.03 0.63 0.77 -0.57 0.00 0.00 179.45 180.25 2grj h SER 14 N -0.05 1.07 -0.21 0.86 0.02 -1.97 0.31 113.55 113.58 2grj h SER 14 Ca 0.05 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2grj h SER 14 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2grj h SER 14 CO -0.12 0.75 -0.04 0.74 -1.14 0.00 0.00 176.83 177.03 2grj h THR 15 N 1.25 1.28 -0.53 -2.27 2.02 -1.90 0.10 112.91 112.86 2grj h THR 15 Ca 0.36 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2grj h THR 15 Cb -0.08 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2grj h THR 15 CO -0.10 0.30 0.32 0.58 0.37 0.00 0.00 175.52 176.99 2grj h VAL 16 N 0.12 1.06 -0.83 3.16 2.07 -0.82 -2.26 116.25 118.76 2grj h VAL 16 Ca 0.05 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2grj h VAL 16 Cb 0.47 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2grj h VAL 16 CO 0.02 0.12 0.40 0.00 0.02 0.00 0.00 177.57 178.13 2grj h GLU 18 N 1.17 1.17 0.24 0.00 4.39 -0.59 0.88 114.58 121.84 2grj h GLU 18 Ca 0.28 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2grj h GLU 18 Cb 0.11 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2grj h GLU 18 CO -0.04 0.84 -0.11 0.82 -1.16 0.00 0.00 179.01 179.36 2grj h ILE 19 N 1.19 0.82 -0.84 3.13 2.04 -0.88 -0.18 117.51 122.79 2grj h ILE 19 Ca 0.31 -0.37 0.13 0.00 1.00 0.00 0.00 64.86 65.92 2grj h ILE 19 Cb -0.02 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 2grj h ILE 19 CO -0.05 0.08 0.45 -0.07 0.00 0.00 0.00 178.15 178.56 2grj h LEU 20 N -0.51 0.59 -0.00 1.44 3.38 -0.85 0.36 115.31 119.71 2grj h LEU 20 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2grj h LEU 20 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2grj h LEU 20 CO 0.05 0.29 0.00 0.50 0.09 0.00 0.00 178.44 179.37 2grj h LYS 21 N 0.69 0.00 0.05 1.13 3.64 -0.63 -0.11 116.57 121.34 2grj h LYS 21 Ca 0.44 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.54 2grj h LYS 21 Cb 0.54 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2grj h LYS 21 CO -0.32 0.14 -1.12 -0.91 -2.27 0.00 0.00 179.45 174.98 2grj h ASN 22 N -0.13 0.84 0.14 4.20 2.35 -0.43 -2.30 115.58 120.26 2grj h ASN 22 Ca 0.00 -0.72 -0.36 0.00 -0.55 0.00 0.00 56.30 54.67 2grj h ASN 22 Cb 0.14 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2grj h ASN 22 CO -0.00 1.52 -2.11 0.29 -1.65 0.00 0.00 177.43 175.48 2grj n LYS 23 N -3.81 0.70 -0.04 0.81 4.76 0.12 -4.58 118.16 116.13 2grj n LYS 23 Ca -0.11 0.21 0.05 0.00 -2.87 0.00 0.00 58.31 55.59 2grj n LYS 23 Cb 0.92 -1.66 0.06 0.00 -1.84 0.00 0.00 35.03 32.52 2grj n LYS 23 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2grj n TYR 24 N -3.28 0.11 -1.26 2.13 4.02 -0.15 -4.99 117.16 113.73 2grj n TYR 24 Ca -0.33 -0.13 -0.06 0.00 -0.01 0.00 0.00 57.90 57.37 2grj n TYR 24 Cb 1.04 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 40.33 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 0.50 0.75 3.76 2.72 0.00 -0.63 -4.94 105.19 107.35 2grj n GLY 25 Ca 0.07 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.22 2.96 -0.36 4.61 0.00 -0.78 -4.68 121.76 121.29 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 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2grj s ALA 26 CO 0.00 -1.07 0.67 -1.58 0.00 0.00 0.00 175.76 173.78 2grj s HIS 27 N -1.36 3.14 -0.28 0.00 2.46 0.87 -4.47 115.29 115.64 2grj s HIS 27 Ca 0.66 0.39 -0.17 0.00 0.47 0.00 0.00 55.06 56.42 2grj s HIS 27 Cb -0.37 -3.20 -0.02 0.00 -0.13 0.00 0.00 32.58 28.86 2grj s HIS 27 CO 0.45 -0.65 0.46 0.08 -2.47 0.00 0.00 174.74 172.61 2grj s VAL 28 N 2.79 5.09 -0.58 0.89 1.01 -1.26 -0.55 120.40 127.80 2grj s VAL 28 Ca 0.26 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 2grj s VAL 28 Cb -0.14 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.52 2grj s VAL 28 CO 0.15 0.04 0.69 -0.69 0.00 0.00 0.00 175.10 175.29 2grj s VAL 29 N 2.24 4.84 -0.71 2.92 1.01 0.10 -4.96 120.40 125.85 2grj s VAL 29 Ca 0.18 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 2grj s VAL 29 Cb -0.16 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2grj s VAL 29 CO 0.10 -1.07 1.46 0.21 0.00 0.00 0.00 175.10 175.80 2grj s ASN 30 N 3.49 5.90 0.38 3.32 3.84 -1.26 -1.61 114.94 129.00 2grj s ASN 30 Ca 0.12 -0.23 0.14 0.00 0.21 0.00 0.00 52.86 53.10 2grj s ASN 30 Cb -0.24 -2.55 0.77 0.00 -0.55 0.00 0.00 41.25 38.68 2grj s ASN 30 CO 0.07 -2.00 1.84 0.58 -2.79 0.00 0.00 177.10 174.80 2grj h VAL 31 N 6.30 1.20 -0.21 -5.21 2.07 -1.82 -2.28 116.25 116.30 2grj h VAL 31 Ca -0.27 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2grj h VAL 31 Cb 1.08 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2grj h VAL 31 CO 1.26 0.34 0.12 0.44 0.02 0.00 0.00 177.57 179.76 2grj h ASP 32 N 0.00 0.25 -0.63 0.57 3.32 -1.90 -0.70 116.42 117.34 2grj h ASP 32 Ca -0.00 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.01 2grj h ASP 32 Cb 0.64 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2grj h ASP 32 CO 0.05 0.23 0.40 0.03 -1.72 0.00 0.00 179.24 178.23 2grj h ARG 33 N 0.25 0.77 -0.96 3.56 -0.00 -1.87 -1.45 114.38 114.69 2grj h ARG 33 Ca 0.08 -0.05 0.05 0.00 -0.50 0.00 0.00 59.98 59.56 2grj h ARG 33 Cb 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 29.97 29.76 2grj h ARG 33 CO -0.01 0.51 0.62 0.82 0.00 0.00 0.00 179.97 181.91 2grj h ILE 34 N 0.79 1.11 -0.64 2.04 2.04 -1.08 0.61 117.51 122.38 2grj h ILE 34 Ca 0.25 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2grj h ILE 34 Cb -0.01 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 35.88 2grj h ILE 34 CO -0.09 0.21 0.32 1.23 0.00 0.00 0.00 178.15 179.82 2grj h GLY 35 N 1.15 0.94 1.52 5.37 0.00 -0.13 -1.63 103.07 110.29 2grj h GLY 35 Ca 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2grj h GLY 35 CO -0.14 0.09 0.16 0.45 0.00 0.00 0.00 176.54 177.10 2grj h HIS 36 N 0.59 0.62 -0.27 5.60 3.86 -0.08 -0.11 115.15 125.35 2grj h HIS 36 Ca 0.30 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 2grj h HIS 36 Cb 0.26 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2grj h HIS 36 CO -0.10 0.50 -0.37 0.93 0.86 0.00 0.00 177.93 179.75 2grj h GLU 37 N 0.62 0.72 -0.81 2.45 5.08 -1.06 -3.20 114.58 118.38 2grj h GLU 37 Ca 0.15 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 2grj h GLU 37 Cb 0.15 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2grj h GLU 37 CO -0.01 1.04 0.35 0.28 -1.00 0.00 0.00 179.01 179.67 2grj h VAL 38 N 0.45 1.26 -0.60 3.13 2.07 -0.66 -2.75 116.25 119.15 2grj h VAL 38 Ca 0.03 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 66.90 2grj h VAL 38 Cb 0.96 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 2grj h VAL 38 CO 0.09 0.32 0.04 -0.07 0.02 0.00 0.00 177.57 177.97 2grj h LEU 39 N 1.16 -0.18 -1.74 2.57 3.38 -1.05 -0.62 115.31 118.84 2grj h LEU 39 Ca 0.27 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2grj h LEU 39 Cb 0.17 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2grj h LEU 39 CO -0.03 -0.07 -0.16 -0.33 0.09 0.00 0.00 178.44 177.94 2grj h GLU 40 N 0.16 0.00 0.00 1.13 4.39 -1.49 -1.92 114.58 116.85 2grj h GLU 40 Ca 0.32 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.96 2grj h GLU 40 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2grj h GLU 40 CO -0.48 0.16 -0.27 0.93 -1.16 0.00 0.00 179.01 178.20 2grj h GLU 41 N 0.00 0.00 -0.22 2.33 5.08 -1.00 -3.29 114.58 117.48 2grj h GLU 41 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2grj h GLU 41 Cb 0.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2grj h GLU 41 CO 0.02 0.27 -0.15 1.33 -1.00 0.00 0.00 179.01 179.48 2grj n VAL 42 N -3.42 2.36 -0.35 3.13 0.24 -0.74 -4.81 118.33 114.75 2grj n VAL 42 Ca 0.00 -2.67 -0.00 0.00 -2.04 0.00 0.00 64.34 59.62 2grj n VAL 42 Cb 0.46 -0.28 0.05 0.00 -1.47 0.00 0.00 33.84 32.60 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 1.00 -0.02 -0.28 7.34 1.57 -1.60 -1.02 116.57 123.56 2grj h LYS 43 Ca 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2grj h LYS 43 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2grj h LYS 43 CO 0.24 -0.01 0.16 0.93 -0.57 0.00 0.00 179.45 180.19 2grj h GLU 44 N -0.02 0.38 -0.34 3.15 5.08 -1.91 -1.78 114.58 119.13 2grj h GLU 44 Ca 0.35 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2grj h GLU 44 Cb 0.61 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2grj h GLU 44 CO -0.95 0.33 -0.14 0.87 -1.00 0.00 0.00 179.01 178.12 2grj h LYS 45 N 0.34 0.61 -0.57 2.33 6.56 -1.69 -0.78 116.57 123.37 2grj h LYS 45 Ca 0.10 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.48 2grj h LYS 45 Cb 0.05 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 2grj h LYS 45 CO -0.02 0.73 0.31 -0.07 -2.06 0.00 0.00 179.45 178.34 2grj h LEU 46 N 0.55 0.72 -0.17 2.94 3.38 -0.88 -0.32 115.31 121.53 2grj h LEU 46 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2grj h LEU 46 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2grj h LEU 46 CO 0.04 0.61 0.10 0.58 0.09 0.00 0.00 178.44 179.86 2grj h VAL 47 N 0.77 1.07 -0.59 1.22 2.07 -0.87 0.33 116.25 120.26 2grj h VAL 47 Ca 0.20 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2grj h VAL 47 Cb 0.06 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2grj h VAL 47 CO -0.03 0.07 0.39 -0.33 0.02 0.00 0.00 177.57 177.69 2grj h GLU 48 N 0.20 0.59 0.05 1.57 5.08 -0.86 0.13 114.58 121.35 2grj h GLU 48 Ca 0.06 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2grj h GLU 48 Cb 0.02 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2grj h GLU 48 CO -0.01 0.39 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.93 2grj h LEU 49 N 0.61 0.25 -2.16 1.33 3.38 -0.51 -3.41 115.31 114.80 2grj h LEU 49 Ca 0.25 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2grj h LEU 49 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2grj h LEU 49 CO -0.07 1.15 0.00 0.49 0.09 0.00 0.00 178.44 180.10 2grj n PHE 50 N -4.39 0.03 0.00 1.13 3.72 0.11 -5.09 117.46 112.97 2grj n PHE 50 Ca -0.11 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 2grj n PHE 50 Cb 0.62 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 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 -0.19 -1.19 0.30 1.37 0.00 0.42 -4.54 105.19 101.37 2grj n GLY 51 Ca 0.01 -1.62 0.20 0.00 0.00 0.00 0.00 46.02 44.61 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 1.29 -0.02 0.00 -1.93 -3.22 103.07 99.20 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 0.26 -1.14 0.00 0.00 0.00 176.54 175.66 2grj n SER 53 N -3.05 0.32 -1.35 0.19 3.41 -1.26 -2.27 113.62 109.60 2grj n SER 53 Ca -0.01 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2grj n SER 53 Cb 0.19 -0.52 0.30 0.00 -0.26 0.00 0.00 64.21 63.92 2grj n SER 53 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2grj n VAL 54 N -1.99 1.45 -4.95 -3.33 0.24 -1.21 -4.83 118.33 103.71 2grj n VAL 54 Ca -0.01 -0.96 -0.28 0.00 -2.04 0.00 0.00 64.34 61.05 2grj n VAL 54 Cb 0.27 0.09 -0.17 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.55 1.92 0.00 1.34 1.43 -0.96 -1.38 118.68 119.48 2grj s LEU 55 Ca 0.42 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2grj s LEU 55 Cb 0.27 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.35 2grj s LEU 55 CO 0.21 0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.30 2grj n GLU 56 N 3.46 0.00 0.00 1.70 1.02 -0.26 -4.90 120.64 121.66 2grj n GLU 56 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2grj n GLU 56 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2grj n GLU 56 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2grj n ASP 57 N 0.00 0.00 -1.13 1.62 3.85 -1.26 -4.73 116.55 114.90 2grj n ASP 57 Ca 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.10 2grj n ASP 57 Cb 0.00 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 39.90 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 2.51 4.05 3.61 6.12 0.00 -1.26 -5.08 105.19 115.14 2grj n GLY 58 Ca 0.00 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.48 2.21 0.21 1.61 0.00 -1.26 -5.10 119.74 114.93 2grj s LYS 59 Ca 0.38 -1.14 -0.30 0.00 0.00 0.00 0.00 55.97 54.91 2grj s LYS 59 Cb 0.38 -2.28 -0.09 0.00 0.00 0.00 0.00 37.83 35.84 2grj s LYS 59 CO -0.08 0.46 1.40 0.08 0.00 0.00 0.00 175.35 177.21 2grj s VAL 60 N -1.58 2.93 -0.53 1.79 1.01 -1.26 -1.11 120.40 121.65 2grj s VAL 60 Ca 0.25 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 2grj s VAL 60 Cb -0.10 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.89 2grj s VAL 60 CO 0.16 0.10 0.58 0.21 0.00 0.00 0.00 175.10 176.15 2grj s ASN 61 N 0.51 6.19 0.35 3.32 3.84 -0.48 -4.82 114.94 123.85 2grj s ASN 61 Ca 0.60 -1.30 0.09 0.00 0.21 0.00 0.00 52.86 52.46 2grj s ASN 61 Cb -0.40 -2.26 0.65 0.00 -0.55 0.00 0.00 41.25 38.69 2grj s ASN 61 CO 0.39 -0.90 1.82 0.03 -2.79 0.00 0.00 177.10 175.65 2grj h ARG 62 N 8.98 0.21 0.19 0.43 3.08 -1.93 -1.47 114.38 123.87 2grj h ARG 62 Ca -0.29 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 2grj h ARG 62 Cb 1.10 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2grj h ARG 62 CO 1.00 0.47 -0.09 -0.22 -1.07 0.00 0.00 179.97 180.06 2grj h LYS 63 N 0.19 -0.24 -0.28 0.04 1.63 -1.99 0.19 116.57 116.11 2grj h LYS 63 Ca 0.03 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 2grj h LYS 63 Cb 0.58 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2grj h LYS 63 CO 0.04 -0.14 -0.15 0.87 -3.45 0.00 0.00 179.45 176.63 2grj h LYS 64 N -0.28 0.48 -0.18 1.90 1.57 -1.83 -1.09 116.57 117.14 2grj h LYS 64 Ca -0.03 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 2grj h LYS 64 Cb 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2grj h LYS 64 CO 0.04 0.62 -0.34 1.25 -0.57 0.00 0.00 179.45 180.45 2grj h LEU 65 N 0.44 0.62 -0.87 2.94 5.85 -1.05 -2.74 115.31 120.49 2grj h LEU 65 Ca 0.08 -0.54 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2grj h LEU 65 Cb 0.52 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2grj h LEU 65 CO 0.03 1.05 0.51 0.00 -0.34 0.00 0.00 178.44 179.69 2grj h ALA 66 N 0.59 1.27 -0.94 1.25 0.00 -0.46 0.10 119.26 121.08 2grj h ALA 66 Ca 0.01 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2grj h ALA 66 Cb 0.94 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 2grj h ALA 66 CO 0.08 0.12 0.60 0.78 0.00 0.00 0.00 179.25 180.83 2grj h GLY 67 N 0.84 1.31 0.00 0.00 0.00 -0.91 -1.37 103.07 102.94 2grj h GLY 67 Ca 0.43 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2grj h GLY 67 CO -0.26 0.03 -0.49 -2.22 0.00 0.00 0.00 176.54 173.60 2grj h ILE 68 N 0.67 1.11 -0.06 2.60 2.04 -1.08 -3.37 117.51 119.42 2grj h ILE 68 Ca 0.49 -2.01 -0.16 0.00 1.00 0.00 0.00 64.86 64.18 2grj h ILE 68 Cb 0.87 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 2grj h ILE 68 CO -0.25 0.38 -0.68 -0.37 0.00 0.00 0.00 178.15 177.22 2grj h VAL 69 N -1.00 1.41 -0.20 1.67 -1.51 -0.94 -2.97 116.25 112.70 2grj h VAL 69 Ca -0.12 -2.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 2grj h VAL 69 Cb 0.94 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 2grj h VAL 69 CO -0.07 0.63 0.00 0.49 -1.23 0.00 0.00 177.57 177.39 2grj n PHE 70 N -3.82 0.58 0.74 5.19 3.72 -0.52 -2.60 117.46 120.74 2grj n PHE 70 Ca -0.03 -0.21 0.09 0.00 -0.05 0.00 0.00 57.45 57.24 2grj n PHE 70 Cb 0.67 -0.17 -0.11 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.20 1.03 -3.70 -1.08 -0.58 -1.12 -4.99 120.64 110.41 2grj n GLU 71 Ca 0.09 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 2grj n GLU 71 Cb 0.46 -1.35 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.86 -0.53 0.25 1.62 0.15 -1.07 -5.04 113.70 106.22 2grj s SER 72 Ca 0.05 0.93 -0.01 0.00 0.70 0.00 0.00 55.95 57.62 2grj s SER 72 Cb 0.13 0.82 0.31 0.00 -1.71 0.00 0.00 66.02 65.57 2grj s SER 72 CO 0.74 -0.19 1.68 0.03 1.20 0.00 0.00 173.24 176.70 2grj h ARG 73 N 6.92 0.61 -0.39 5.44 2.47 -1.95 -1.91 114.38 125.57 2grj h ARG 73 Ca -0.35 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 2grj h ARG 73 Cb 1.19 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.45 2grj h ARG 73 CO 0.28 0.80 0.25 0.93 0.56 0.00 0.00 179.97 182.79 2grj h GLU 74 N 0.54 0.52 -0.30 0.04 3.07 -1.96 -0.57 114.58 115.92 2grj h GLU 74 Ca 0.08 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.73 2grj h GLU 74 Cb 0.70 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2grj h GLU 74 CO 0.05 0.36 -0.48 -0.91 -1.40 0.00 0.00 179.01 176.64 2grj h ASN 75 N 0.52 0.87 -0.83 1.42 -0.26 -1.82 -2.33 115.58 113.14 2grj h ASN 75 Ca 0.14 -0.44 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 2grj h ASN 75 Cb -0.03 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 36.94 2grj h ASN 75 CO -0.03 1.21 0.53 0.25 -1.06 0.00 0.00 177.43 178.33 2grj h LEU 76 N 0.63 0.98 -0.72 1.61 5.85 -1.19 -2.42 115.31 120.04 2grj h LEU 76 Ca 0.03 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2grj h LEU 76 Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2grj h LEU 76 CO 0.10 0.73 0.30 0.50 -0.34 0.00 0.00 178.44 179.73 2grj h LYS 77 N 1.14 1.08 -0.77 1.25 1.63 -0.88 -0.97 116.57 119.04 2grj h LYS 77 Ca 0.30 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 2grj h LYS 77 Cb -0.09 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.31 2grj h LYS 77 CO -0.06 0.88 0.47 0.87 -3.45 0.00 0.00 179.45 178.16 2grj h LYS 78 N 1.04 0.86 -0.20 1.90 1.57 -1.01 0.05 116.57 120.77 2grj h LYS 78 Ca 0.24 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2grj h LYS 78 Cb 0.20 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2grj h LYS 78 CO -0.02 0.57 0.01 1.25 -0.57 0.00 0.00 179.45 180.68 2grj h LEU 79 N 0.88 0.35 -0.79 2.94 5.85 -0.98 -2.74 115.31 120.82 2grj h LEU 79 Ca 0.33 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2grj h LEU 79 Cb 0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2grj h LEU 79 CO -0.15 0.56 0.50 -0.33 -0.34 0.00 0.00 178.44 178.68 2grj h GLU 80 N 0.12 0.95 -0.05 1.25 5.08 -0.86 -0.08 114.58 120.99 2grj h GLU 80 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2grj h GLU 80 Cb 0.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2grj h GLU 80 CO 0.01 0.63 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.45 2grj h LEU 81 N 0.98 0.07 0.02 1.33 3.38 -0.94 -1.64 115.31 118.51 2grj h LEU 81 Ca 0.32 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 2grj h LEU 81 Cb 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2grj h LEU 81 CO -0.11 0.21 -0.38 0.25 0.09 0.00 0.00 178.44 178.50 2grj h LEU 82 N 0.08 0.31 0.00 1.67 5.85 -1.00 -3.42 115.31 118.80 2grj h LEU 82 Ca 0.02 -0.81 -0.37 0.00 0.84 0.00 0.00 57.88 57.56 2grj h LEU 82 Cb 0.28 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 2grj h LEU 82 CO 0.02 1.09 -2.36 1.33 -0.34 0.00 0.00 178.44 178.17 2grj n VAL 83 N -4.40 1.40 -0.17 1.05 0.24 -0.14 -4.59 118.33 111.73 2grj n VAL 83 Ca -0.10 -0.85 -0.07 0.00 -2.04 0.00 0.00 64.34 61.27 2grj n VAL 83 Cb 0.58 -0.50 0.02 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.64 -0.80 6.34 3.86 -1.51 -2.73 115.15 120.95 2grj h HIS 84 Ca -0.54 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 58.71 2grj h HIS 84 Cb 2.24 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 30.44 2grj h HIS 84 CO 0.00 0.44 0.50 -1.35 0.86 0.00 0.00 177.93 178.38 2grj h PRO 85 N 0.66 0.93 -1.56 2.45 0.11 -1.82 -0.39 132.00 132.36 2grj h PRO 85 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2grj h PRO 85 Cb -0.02 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.88 2grj h PRO 85 CO -0.03 0.61 0.00 1.28 -0.21 0.00 0.00 178.00 179.65 2grj n LEU 86 N -4.62 0.66 0.00 2.35 4.32 -1.03 -2.05 117.00 116.63 2grj n LEU 86 Ca 0.10 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 2grj n LEU 86 Cb 0.12 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2grj n LEU 86 CO 0.32 0.11 0.00 1.17 -1.22 0.00 0.00 177.39 177.78 2grj n LYS 88 N 0.82 0.00 -0.36 3.23 4.81 -0.16 -1.97 118.16 124.52 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 0.11 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.33 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 1.17 -0.35 1.64 3.64 -1.67 -0.71 116.57 120.29 2grj h LYS 89 Ca 0.00 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2grj h LYS 89 Cb 0.00 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2grj h LYS 89 CO 0.00 0.78 -0.40 0.00 -2.27 0.00 0.00 179.45 177.55 2grj h ARG 90 N 1.21 0.89 -0.03 1.90 -0.00 -1.68 -1.24 114.38 115.43 2grj h ARG 90 Ca 0.41 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2grj h ARG 90 Cb 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.07 2grj h ARG 90 CO -0.14 1.13 0.01 0.28 0.00 0.00 0.00 179.97 181.25 2grj h VAL 91 N 0.69 1.10 -0.78 2.04 2.07 -1.73 -2.37 116.25 117.27 2grj h VAL 91 Ca 0.05 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.39 2grj h VAL 91 Cb 1.00 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 2grj h VAL 91 CO 0.10 0.08 0.41 -0.61 0.02 0.00 0.00 177.57 177.56 2grj h GLN 92 N -0.08 0.64 -0.96 1.57 5.75 -1.08 -0.72 115.11 120.23 2grj h GLN 92 Ca 0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2grj h GLN 92 Cb 0.12 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2grj h GLN 92 CO -0.00 0.42 0.61 0.93 -2.65 0.00 0.00 178.83 178.14 2grj h GLU 93 N 0.66 1.29 -0.11 1.69 5.08 -1.03 -1.58 114.58 120.57 2grj h GLU 93 Ca 0.39 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2grj h GLU 93 Cb 0.44 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2grj h GLU 93 CO -0.29 0.88 -0.02 0.82 -1.00 0.00 0.00 179.01 179.41 2grj h ILE 94 N 1.32 1.27 -0.58 3.13 2.04 -0.82 -2.68 117.51 121.19 2grj h ILE 94 Ca 0.35 -0.90 0.11 0.00 1.00 0.00 0.00 64.86 65.42 2grj h ILE 94 Cb -0.10 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.54 2grj h ILE 94 CO -0.07 0.26 0.12 0.40 0.00 0.00 0.00 178.15 178.85 2grj h ILE 95 N -0.09 0.64 -0.13 -0.67 2.04 -1.03 -2.01 117.51 116.27 2grj h ILE 95 Ca 0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2grj h ILE 95 Cb 0.41 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2grj h ILE 95 CO 0.01 0.04 -0.01 0.78 0.00 0.00 0.00 178.15 178.97 2grj h ASN 96 N 0.25 0.16 -0.52 1.72 2.35 -1.13 -2.87 115.58 115.53 2grj h ASN 96 Ca 0.30 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2grj h ASN 96 Cb 0.45 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2grj h ASN 96 CO -0.40 0.21 0.00 0.29 -1.65 0.00 0.00 177.43 175.88 2grj n LYS 97 N -4.42 2.53 -4.64 0.81 4.01 -0.80 -4.28 118.16 111.38 2grj n LYS 97 Ca -0.01 -2.35 -0.25 0.00 -0.51 0.00 0.00 58.31 55.20 2grj n LYS 97 Cb 0.16 -1.52 -0.16 0.00 -0.51 0.00 0.00 35.03 32.99 2grj n LYS 97 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2grj s THR 98 N -1.31 1.18 0.30 -0.18 2.01 -0.94 -5.06 115.64 111.64 2grj s THR 98 Ca 0.42 -0.54 0.06 0.00 0.31 0.00 0.00 61.69 61.95 2grj s THR 98 Cb 0.23 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 2grj s THR 98 CO 0.32 0.36 0.39 -0.44 -0.69 0.00 0.00 174.62 174.55 2grj s SER 99 N 0.42 5.89 0.00 3.53 0.01 -1.26 -4.70 113.70 117.59 2grj s SER 99 Ca -0.10 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2grj s SER 99 Cb -0.14 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2grj s SER 99 CO 0.03 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2grj n GLY 100 N -1.49 -0.31 3.64 3.44 0.00 -0.76 -4.79 105.19 104.91 2grj n GLY 100 Ca -0.03 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.11 0.99 2.96 -1.26 -4.38 118.68 120.95 2grj s LEU 101 Ca 0.00 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 54.90 2grj s LEU 101 Cb 0.00 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2grj s LEU 101 CO 0.00 -0.54 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.66 2grj s ILE 102 N 2.88 2.45 -0.16 6.68 1.01 -1.26 -0.09 121.20 132.71 2grj s ILE 102 Ca 0.35 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 2grj s ILE 102 Cb -0.15 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2grj s ILE 102 CO 0.08 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.73 2grj s VAL 103 N 0.35 2.64 -0.45 2.92 1.01 0.29 -0.65 120.40 126.50 2grj s VAL 103 Ca -0.16 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 2grj s VAL 103 Cb -0.17 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.15 2grj s VAL 103 CO 0.08 0.51 0.36 -0.63 0.00 0.00 0.00 175.10 175.41 2grj s ILE 104 N 0.94 5.07 -0.41 2.22 1.01 0.12 0.03 121.20 130.18 2grj s ILE 104 Ca -0.03 -1.05 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 2grj s ILE 104 Cb -0.15 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2grj s ILE 104 CO -0.02 -0.52 0.53 -0.70 0.00 0.00 0.00 174.94 174.24 2grj s GLU 105 N 1.61 3.31 -0.30 2.79 2.12 -0.63 -0.81 118.70 126.80 2grj s GLU 105 Ca 0.04 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.86 2grj s GLU 105 Cb -0.23 -3.92 0.15 0.00 0.26 0.00 0.00 34.13 30.39 2grj s GLU 105 CO 0.06 -0.85 0.62 0.00 -0.54 0.00 0.00 175.26 174.55 2grj s ALA 106 N 2.46 -2.09 0.27 6.30 0.00 -0.83 -2.11 121.76 125.75 2grj s ALA 106 Ca 0.18 2.11 -0.00 0.00 0.00 0.00 0.00 51.96 54.24 2grj s ALA 106 Cb -0.15 -1.92 0.56 0.00 0.00 0.00 0.00 23.12 21.61 2grj s ALA 106 CO 0.16 -1.09 1.74 0.00 0.00 0.00 0.00 175.76 176.57 2grj h ALA 107 N 8.01 1.28 -0.85 0.00 0.00 -1.81 -2.54 119.26 123.35 2grj h ALA 107 Ca -0.20 0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 2grj h ALA 107 Cb 1.12 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 2grj h ALA 107 CO 0.17 -0.16 0.68 1.28 0.00 0.00 0.00 179.25 181.22 2grj n LEU 108 N -4.92 6.93 -0.14 0.00 4.77 -1.26 -4.25 117.00 118.14 2grj n LEU 108 Ca 0.18 -3.75 -0.04 0.00 -0.03 0.00 0.00 56.01 52.37 2grj n LEU 108 Cb 0.48 -0.92 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2grj n LEU 108 CO 0.19 1.24 0.84 0.25 -1.33 0.00 0.00 177.39 178.58 2grj h LEU 109 N 1.71 -0.21 -0.03 2.23 5.85 -1.83 -2.69 115.31 120.33 2grj h LEU 109 Ca 0.53 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.32 2grj h LEU 109 Cb 1.51 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2grj h LEU 109 CO 1.21 -0.07 -0.11 0.50 -0.34 0.00 0.00 178.44 179.63 2grj h LYS 110 N 0.10 0.13 -1.94 1.25 3.64 -1.88 -1.17 116.57 116.70 2grj h LYS 110 Ca 0.22 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2grj h LYS 110 Cb 0.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2grj h LYS 110 CO -0.38 0.74 0.00 -2.13 -2.27 0.00 0.00 179.45 175.41 2grj n ARG 111 N -4.65 0.00 -0.27 1.90 0.63 -1.01 -4.51 116.66 108.75 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 0.38 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.87 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 1.21 0.30 0.19 5.14 0.00 -1.18 -5.15 105.19 105.70 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 -1.45 -3.17 115.31 113.05 2grj h LEU 114 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2grj h LEU 114 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2grj h LEU 114 CO 0.00 0.35 0.31 -2.24 0.09 0.00 0.00 178.44 176.95 2grj h ASP 115 N 0.00 0.00 1.05 -0.43 2.03 -1.80 -0.16 116.42 117.10 2grj h ASP 115 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2grj h ASP 115 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2grj h ASP 115 CO 0.05 0.00 0.00 1.56 -1.03 0.00 0.00 179.24 179.82 2grj h GLN 116 N 0.00 0.00 -0.00 4.15 4.20 -1.88 -2.15 115.11 119.42 2grj h GLN 116 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2grj h GLN 116 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2grj h GLN 116 CO -0.00 0.00 -0.08 1.28 -0.67 0.00 0.00 178.83 179.36 2grj n LEU 117 N -2.55 0.44 -4.88 1.46 4.77 -0.07 -4.92 117.00 111.25 2grj n LEU 117 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 2grj n LEU 117 Cb 0.31 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2grj n LEU 117 CO 0.25 0.08 -0.17 0.00 -1.33 0.00 0.00 177.39 176.22 2grj h ASP 119 N 4.80 0.41 -5.20 0.00 3.32 -0.93 -3.47 116.42 115.35 2grj h ASP 119 Ca -0.54 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.07 2grj h ASP 119 Cb 1.22 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 2grj h ASP 119 CO 0.60 1.14 -0.50 -1.00 -1.72 0.00 0.00 179.24 177.76 2grj s HIS 120 N -3.22 0.33 -0.05 4.55 3.76 -1.09 -5.05 115.29 114.52 2grj s HIS 120 Ca -0.04 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 2grj s HIS 120 Cb 0.09 -0.21 0.01 0.00 1.11 0.00 0.00 32.58 33.59 2grj s HIS 120 CO 0.85 -0.48 -0.12 0.08 -0.85 0.00 0.00 174.74 174.22 2grj s VAL 121 N -3.89 1.09 -0.22 -0.90 1.01 -1.26 -0.88 120.40 115.35 2grj s VAL 121 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 2grj s VAL 121 Cb 0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2grj s VAL 121 CO -0.10 0.34 0.08 -0.63 0.00 0.00 0.00 175.10 174.79 2grj s ILE 122 N 0.51 4.65 -0.23 2.22 1.01 0.11 -0.75 121.20 128.73 2grj s ILE 122 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 2grj s ILE 122 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2grj s ILE 122 CO 0.03 0.39 0.07 -0.89 0.00 0.00 0.00 174.94 174.54 2grj s THR 123 N 0.98 4.51 -0.08 2.92 2.01 -0.45 -0.80 115.64 124.72 2grj s THR 123 Ca 0.04 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 2grj s THR 123 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2grj s THR 123 CO 0.03 0.37 0.59 -0.69 -0.69 0.00 0.00 174.62 174.23 2grj s VAL 124 N 1.22 5.09 0.20 3.82 1.01 -0.05 -1.06 120.40 130.64 2grj s VAL 124 Ca 0.05 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.33 2grj s VAL 124 Cb -0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2grj s VAL 124 CO 0.04 0.31 -0.20 0.68 0.00 0.00 0.00 175.10 175.92 2grj s VAL 125 N 0.59 2.11 -0.07 2.92 -7.23 -0.87 -4.13 120.40 113.72 2grj s VAL 125 Ca 0.32 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 2grj s VAL 125 Cb -0.17 -2.05 0.09 0.00 0.56 0.00 0.00 36.38 34.81 2grj s VAL 125 CO 0.15 -0.30 0.77 0.00 -0.31 0.00 0.00 175.10 175.40 2grj s ALA 126 N -2.13 -1.81 0.77 1.32 0.00 -1.26 -0.78 121.76 117.87 2grj s ALA 126 Ca 0.21 1.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 2grj s ALA 126 Cb -0.06 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.99 2grj s ALA 126 CO 0.09 -0.39 1.15 -1.54 0.00 0.00 0.00 175.76 175.08 2grj s SER 127 N -1.29 4.14 0.21 0.00 1.04 -1.26 -4.81 113.70 111.72 2grj s SER 127 Ca -0.07 2.15 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 2grj s SER 127 Cb -0.00 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.71 2grj s SER 127 CO 0.06 -2.29 1.78 -0.09 0.98 0.00 0.00 173.24 173.68 2grj h ARG 128 N -0.75 1.16 -0.63 4.02 2.43 -2.01 -1.17 114.38 117.45 2grj h ARG 128 Ca -0.46 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 58.43 2grj h ARG 128 Cb 1.27 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2grj h ARG 128 CO 0.49 0.94 0.09 0.93 -1.51 0.00 0.00 179.97 180.91 2grj h GLU 129 N 1.13 1.03 -0.46 0.20 5.08 -2.00 -1.17 114.58 118.40 2grj h GLU 129 Ca 0.26 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2grj h GLU 129 Cb 0.20 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2grj h GLU 129 CO -0.02 0.95 0.26 1.15 -1.00 0.00 0.00 179.01 180.35 2grj h THR 130 N 0.96 1.16 -0.60 1.13 2.02 -1.82 -2.42 112.91 113.33 2grj h THR 130 Ca 0.19 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2grj h THR 130 Cb 0.43 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2grj h THR 130 CO 0.01 0.16 0.37 0.40 0.37 0.00 0.00 175.52 176.83 2grj h ILE 131 N 0.60 1.17 -0.19 3.11 2.04 -0.85 -2.80 117.51 120.60 2grj h ILE 131 Ca 0.16 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 2grj h ILE 131 Cb 0.03 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2grj h ILE 131 CO -0.03 0.18 -0.38 -0.07 0.00 0.00 0.00 178.15 177.85 2grj h LEU 132 N 0.81 0.44 -1.57 1.44 3.38 -1.05 -2.03 115.31 116.73 2grj h LEU 132 Ca 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2grj h LEU 132 Cb -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2grj h LEU 132 CO -0.04 0.79 -0.23 0.11 0.09 0.00 0.00 178.44 179.16 2grj h LYS 133 N 0.36 0.00 0.08 1.13 1.57 -1.22 -3.30 116.57 115.19 2grj h LYS 133 Ca 0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.48 2grj h LYS 133 Cb 0.83 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 2grj h LYS 133 CO 0.07 0.23 -1.83 0.00 -0.57 0.00 0.00 179.45 177.34 2grj h ARG 134 N 0.00 0.17 -4.26 3.15 3.08 -1.21 -3.48 114.38 111.84 2grj h ARG 134 Ca -0.00 -0.30 -0.43 0.00 0.07 0.00 0.00 59.98 59.32 2grj h ARG 134 Cb 0.46 0.11 -0.33 0.00 0.08 0.00 0.00 29.97 30.29 2grj h ARG 134 CO 0.03 0.96 -0.78 1.21 -1.07 0.00 0.00 179.97 180.31 2grj s ASN 135 N -6.71 1.14 0.21 7.04 3.84 -0.80 -5.05 114.94 114.61 2grj s ASN 135 Ca -0.14 -0.17 0.19 0.00 0.21 0.00 0.00 52.86 52.94 2grj s ASN 135 Cb 0.07 -0.48 0.02 0.00 -0.55 0.00 0.00 41.25 40.31 2grj s ASN 135 CO 0.80 -0.00 1.16 0.08 -2.79 0.00 0.00 177.10 176.35 2grj h ARG 136 N 6.91 0.00 0.00 0.43 0.11 -1.88 -3.18 114.38 116.77 2grj h ARG 136 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2grj h ARG 136 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2grj h ARG 136 CO 0.48 0.22 0.00 0.39 0.10 0.00 0.00 179.97 181.15 2grj n GLU 137 N -2.95 0.24 -0.15 0.08 1.02 -1.26 -4.25 120.64 113.37 2grj n GLU 137 Ca -0.02 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2grj n GLU 137 Cb 0.69 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 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 3.20 0.63 -0.68 0.62 0.00 -1.90 -1.79 119.26 119.34 2grj h ALA 138 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.71 2grj h ALA 138 Cb 0.36 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 2grj h ALA 138 CO 0.00 0.55 -0.08 0.22 0.00 0.00 0.00 179.25 179.93 2grj h ASP 139 N 0.73 -0.47 -0.02 0.00 3.58 -1.81 -0.48 116.42 117.96 2grj h ASP 139 Ca 0.11 0.19 -0.24 0.00 0.42 0.00 0.00 57.03 57.51 2grj h ASP 139 Cb 0.68 0.37 0.01 0.00 1.72 0.00 0.00 39.33 42.11 2grj h ASP 139 CO 0.05 -0.19 -0.93 -0.09 -2.88 0.00 0.00 179.24 175.20 2grj h ARG 140 N 0.05 0.71 0.00 0.28 2.43 -1.78 -3.37 114.38 112.70 2grj h ARG 140 Ca 0.35 -0.68 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 2grj h ARG 140 Cb 0.56 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2grj h ARG 140 CO -0.65 1.27 -1.05 0.00 -1.51 0.00 0.00 179.97 178.03 2grj h ARG 141 N 0.43 0.00 -0.65 0.20 3.08 -0.90 -3.33 114.38 113.21 2grj h ARG 141 Ca -0.09 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2grj h ARG 141 Cb 1.57 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.58 2grj h ARG 141 CO 0.18 0.11 0.43 -0.07 -1.07 0.00 0.00 179.97 179.56 2grj h LEU 142 N 0.00 0.69 -1.93 3.04 3.38 -1.25 -0.94 115.31 118.31 2grj h LEU 142 Ca -0.05 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.14 2grj h LEU 142 Cb 1.20 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2grj h LEU 142 CO 0.02 0.49 0.59 0.11 0.09 0.00 0.00 178.44 179.73 2grj h LYS 143 N 0.81 0.06 -0.63 1.13 1.57 -1.75 0.13 116.57 117.89 2grj h LYS 143 Ca 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2grj h LYS 143 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2grj h LYS 143 CO -0.07 0.04 0.00 1.19 -0.57 0.00 0.00 179.45 180.04 2grj n PHE 144 N -4.33 1.77 -0.83 -1.35 3.72 -0.36 -4.34 117.46 111.74 2grj n PHE 144 Ca 0.17 -0.64 0.03 0.00 -0.05 0.00 0.00 57.45 56.96 2grj n PHE 144 Cb 0.85 -0.40 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.75 1.48 0.29 -1.08 6.02 0.03 -4.79 117.38 120.08 2grj n GLN 145 Ca 0.25 -1.63 0.15 0.00 -0.01 0.00 0.00 57.00 55.76 2grj n GLN 145 Cb 1.04 -1.01 0.90 0.00 1.02 0.00 0.00 30.24 32.18 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 5.08 -1.76 -1.35 114.58 115.46 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 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2grj h GLU 146 CO 0.00 0.02 -0.02 -0.40 -1.00 0.00 0.00 179.01 177.61 2grj n ASP 147 N -3.80 0.36 -4.46 1.42 5.75 -1.26 -4.57 116.55 109.99 2grj n ASP 147 Ca -0.03 -0.94 -0.44 0.00 -0.01 0.00 0.00 54.79 53.38 2grj n ASP 147 Cb 0.11 -0.04 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 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 -2.13 4.65 0.16 2.12 1.01 -0.51 -4.95 121.20 121.56 2grj s ILE 148 Ca 0.41 -1.54 0.04 0.00 0.00 0.00 0.00 60.65 59.56 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 0.39 -1.56 0.19 0.68 0.00 0.00 0.00 174.94 174.63 2grj s VAL 149 N 2.89 4.76 0.19 2.92 -7.23 -1.26 -4.76 120.40 117.91 2grj s VAL 149 Ca 0.35 -0.96 -0.33 0.00 -1.81 0.00 0.00 61.98 59.22 2grj s VAL 149 Cb -0.04 -3.44 -0.14 0.00 0.56 0.00 0.00 36.38 33.31 2grj s VAL 149 CO -0.09 -0.11 1.44 -2.65 -0.31 0.00 0.00 175.10 173.38 2grj n PRO 150 N -0.45 1.90 -3.88 4.82 -0.02 -1.26 -4.99 135.00 131.13 2grj n PRO 150 Ca -0.08 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 2grj n PRO 150 Cb 0.55 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.61 7.46 -0.52 -2.07 -1.26 -5.08 119.66 118.94 2grj s GLN 151 Ca 0.74 -0.61 0.00 0.00 -1.82 0.00 0.00 55.36 53.67 2grj s GLN 151 Cb -0.71 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.46 2grj s GLN 151 CO 0.45 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 2grj n GLY 152 N 0.88 2.71 3.54 2.60 0.00 -1.26 -3.41 105.19 110.25 2grj n GLY 152 Ca -0.20 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 5.27 -0.15 -0.61 1.01 0.07 -4.91 121.20 121.88 2grj s ILE 153 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 2grj s ILE 153 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2grj s ILE 153 CO 0.00 0.02 0.72 -0.69 0.00 0.00 0.00 174.94 174.99 2grj s VAL 154 N 1.79 4.98 -0.34 2.92 1.01 -1.26 -1.35 120.40 128.14 2grj s VAL 154 Ca 0.07 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 2grj s VAL 154 Cb -0.17 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.25 2grj s VAL 154 CO 0.11 0.12 0.07 -0.69 0.00 0.00 0.00 175.10 174.71 2grj s VAL 155 N 1.71 2.85 0.11 2.92 1.01 -0.22 -4.96 120.40 123.82 2grj s VAL 155 Ca 0.34 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 2grj s VAL 155 Cb -0.17 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2grj s VAL 155 CO 0.13 -0.42 1.10 0.00 0.00 0.00 0.00 175.10 175.91 2grj s ALA 156 N 1.12 3.33 -0.56 5.51 0.00 -1.26 -2.06 121.76 127.84 2grj s ALA 156 Ca 0.03 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.82 2grj s ALA 156 Cb -0.21 -3.37 0.30 0.00 0.00 0.00 0.00 23.12 19.84 2grj s ALA 156 CO -0.04 -0.27 0.82 -1.71 0.00 0.00 0.00 175.76 174.56 2grj n ASN 157 N 3.14 3.48 -0.18 0.00 5.15 0.04 -4.83 115.26 122.07 2grj n ASN 157 Ca 0.05 -3.45 0.08 0.00 -0.60 0.00 0.00 54.58 50.66 2grj n ASN 157 Cb 0.47 -0.61 0.13 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 0.33 2.49 0.00 1.20 3.02 -1.26 -4.78 115.26 116.26 2grj n ASN 158 Ca 0.29 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 2grj n ASN 158 Cb 0.44 -0.35 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 -1.07 0.00 -4.95 6.41 3.41 -1.26 -5.08 113.62 111.09 2grj n SER 159 Ca 0.13 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 2grj n SER 159 Cb 0.59 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 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 3.58 3.54 0.17 6.66 -4.23 -1.26 -4.97 115.64 119.13 2grj s THR 160 Ca 0.00 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 2grj s THR 160 Cb 0.00 -3.35 0.08 0.00 1.34 0.00 0.00 72.50 70.57 2grj s THR 160 CO 0.00 -0.28 1.73 0.25 -0.54 0.00 0.00 174.62 175.78 2grj h LEU 161 N 0.11 0.83 -0.80 4.79 5.85 -2.00 -1.79 115.31 122.31 2grj h LEU 161 Ca -0.45 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.11 2grj h LEU 161 Cb 1.27 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2grj h LEU 161 CO 0.57 0.77 0.53 -0.08 -0.34 0.00 0.00 178.44 179.89 2grj h GLU 162 N 0.83 1.03 -0.78 1.25 4.81 -1.99 0.15 114.58 119.89 2grj h GLU 162 Ca 0.20 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2grj h GLU 162 Cb 0.20 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2grj h GLU 162 CO -0.02 0.68 0.29 -0.44 -0.73 0.00 0.00 179.01 178.80 2grj h ASP 163 N 1.07 1.08 -0.57 1.04 3.32 -1.90 -1.12 116.42 119.33 2grj h ASP 163 Ca 0.30 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2grj h ASP 163 Cb -0.10 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.14 2grj h ASP 163 CO -0.07 0.97 0.30 0.25 -1.72 0.00 0.00 179.24 178.96 2grj h LEU 164 N 1.13 0.73 -0.60 1.55 5.85 -0.43 -2.26 115.31 121.28 2grj h LEU 164 Ca 0.26 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2grj h LEU 164 Cb 0.24 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2grj h LEU 164 CO -0.02 0.63 0.36 -0.33 -0.34 0.00 0.00 178.44 178.74 2grj h GLU 165 N 0.77 0.68 -0.33 1.25 5.08 -0.27 -0.57 114.58 121.19 2grj h GLU 165 Ca 0.20 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2grj h GLU 165 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2grj h GLU 165 CO -0.03 0.45 0.17 0.87 -1.00 0.00 0.00 179.01 179.47 2grj h LYS 166 N 0.70 0.35 -0.62 2.33 6.56 -1.07 -1.59 116.57 123.22 2grj h LYS 166 Ca 0.25 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.76 2grj h LYS 166 Cb 0.06 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 2grj h LYS 166 CO -0.12 0.23 0.16 0.87 -2.06 0.00 0.00 179.45 178.53 2grj h LYS 167 N 0.36 0.97 -0.57 3.15 1.57 -0.92 -1.51 116.57 119.61 2grj h LYS 167 Ca 0.13 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2grj h LYS 167 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2grj h LYS 167 CO -0.08 0.85 -0.06 0.28 -0.57 0.00 0.00 179.45 179.88 2grj h VAL 168 N 0.93 1.27 -0.56 0.50 2.07 -0.92 -1.41 116.25 118.12 2grj h VAL 168 Ca 0.20 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.52 2grj h VAL 168 Cb 0.32 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2grj h VAL 168 CO -0.00 0.43 0.36 -0.08 0.02 0.00 0.00 177.57 178.31 2grj h GLU 169 N 0.93 0.72 -0.71 1.57 4.81 -0.87 -2.77 114.58 118.26 2grj h GLU 169 Ca 0.16 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2grj h GLU 169 Cb 0.62 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2grj h GLU 169 CO 0.04 0.47 0.28 0.93 -0.73 0.00 0.00 179.01 180.00 2grj h GLU 170 N 0.74 1.05 -1.27 1.92 5.08 -1.00 0.18 114.58 121.29 2grj h GLU 170 Ca 0.21 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2grj h GLU 170 Cb -0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2grj h GLU 170 CO -0.06 0.86 0.00 0.28 -1.00 0.00 0.00 179.01 179.09 2grj n VAL 171 N -4.29 0.23 0.00 3.13 0.31 -0.56 -2.63 118.33 114.52 2grj n VAL 171 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2grj n VAL 171 Cb 0.18 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.69 0.00 -0.09 5.55 5.02 0.05 -2.14 118.16 127.23 2grj n LYS 173 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2grj n LYS 173 Cb 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.10 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 0.57 -1.50 -0.35 3.38 -1.77 -3.36 115.31 112.28 2grj h LEU 174 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2grj h LEU 174 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2grj h LEU 174 CO 0.00 0.85 0.00 1.33 0.09 0.00 0.00 178.44 180.71 2grj n VAL 175 N -4.46 0.04 -0.88 1.22 0.24 -0.91 -5.25 118.33 108.32 2grj n VAL 175 Ca -0.04 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 2grj n VAL 175 Cb 0.35 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56