#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 3.64 0.00 4.41 -3.43 -1.26 -4.87 115.29 113.78 2grj s HIS -1 Ca 0.00 1.67 0.00 0.00 -0.80 0.00 0.00 55.06 55.93 2grj s HIS -1 Cb 0.00 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 28.01 2grj s HIS -1 CO 0.00 -0.09 0.00 -2.39 -2.00 0.00 0.00 174.74 170.26 2grj n HIS 0 N 3.93 0.00 -3.49 0.38 -0.00 -1.26 -1.86 115.22 112.92 2grj n HIS 0 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 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 0.18 -0.43 -0.16 0.61 1.01 -1.26 -4.91 120.40 115.45 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 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2grj s VAL 2 CO 0.00 0.00 -0.21 -0.63 0.00 0.00 0.00 175.10 174.26 2grj s ILE 3 N 2.22 2.05 0.11 2.22 1.01 0.08 0.02 121.20 128.91 2grj s ILE 3 Ca -0.05 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.44 2grj s ILE 3 Cb -0.06 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 2grj s ILE 3 CO -0.17 0.54 0.65 -0.83 0.00 0.00 0.00 174.94 175.13 2grj s GLY 4 N 1.11 2.77 -0.24 6.18 0.00 -0.01 -1.06 107.32 116.07 2grj s GLY 4 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.90 2grj s GLY 4 CO -0.09 0.62 -0.08 0.14 0.00 0.00 0.00 173.10 173.69 2grj s VAL 5 N -1.13 1.80 0.17 1.40 1.01 0.11 -0.29 120.40 123.47 2grj s VAL 5 Ca 0.32 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2grj s VAL 5 Cb -0.21 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 2grj s VAL 5 CO 0.22 -0.03 0.04 1.07 0.00 0.00 0.00 175.10 176.40 2grj n THR 6 N 4.58 0.00 0.00 3.92 5.66 -0.28 -1.68 114.28 126.48 2grj n THR 6 Ca -0.13 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 59.93 2grj n THR 6 Cb 0.44 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 1.45 4.05 3.62 1.09 0.00 -1.26 -0.88 105.19 113.26 2grj n GLY 7 Ca -0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.97 0.33 0.30 1.61 1.02 -1.26 -4.36 119.74 114.41 2grj s LYS 8 Ca 0.00 1.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 2grj s LYS 8 Cb 0.00 -1.69 -0.13 0.00 -0.52 0.00 0.00 37.83 35.50 2grj s LYS 8 CO 0.00 -2.93 1.38 1.51 -0.92 0.00 0.00 175.35 174.39 2grj n ILE 9 N -4.38 1.46 -0.95 2.17 3.06 -1.26 -2.88 119.36 116.58 2grj n ILE 9 Ca 0.07 -0.37 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 2grj n ILE 9 Cb 0.54 -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 1.49 0.71 0.14 4.50 0.00 -1.26 -4.89 105.19 105.87 2grj n GLY 10 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 1.42 0.00 2.61 1.35 -1.87 -3.43 112.91 112.99 2grj h THR 11 Ca 0.00 -2.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2grj h THR 11 Cb 0.05 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2grj h THR 11 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 2grj n GLY 12 N 1.19 -0.04 0.14 5.82 0.00 -1.26 -4.72 105.19 106.31 2grj n GLY 12 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.89 0.36 116.57 117.34 2grj h LYS 13 Ca 0.00 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2grj h LYS 13 Cb 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 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 0.76 -0.07 0.86 0.02 -1.97 0.15 113.55 113.20 2grj h SER 14 Ca 0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2grj h SER 14 Cb 0.21 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2grj h SER 14 CO -0.18 0.50 -0.16 0.74 -1.14 0.00 0.00 176.83 176.60 2grj h THR 15 N 0.87 1.42 -0.28 -2.27 2.02 -1.83 -0.04 112.91 112.79 2grj h THR 15 Ca 0.33 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 66.05 2grj h THR 15 Cb 0.19 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 2grj h THR 15 CO -0.11 0.42 0.09 0.58 0.37 0.00 0.00 175.52 176.86 2grj h VAL 16 N -0.27 0.91 -0.79 3.16 2.07 -0.67 -2.16 116.25 118.49 2grj h VAL 16 Ca -0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2grj h VAL 16 Cb 0.76 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2grj h VAL 16 CO 0.03 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.10 2grj h GLU 18 N 1.11 1.06 0.05 0.00 4.39 -0.78 0.93 114.58 121.33 2grj h GLU 18 Ca 0.28 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 2grj h GLU 18 Cb 0.03 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 2grj h GLU 18 CO -0.05 0.70 -0.02 0.82 -1.16 0.00 0.00 179.01 179.30 2grj h ILE 19 N 1.09 1.09 -1.00 3.13 2.04 -0.61 -0.02 117.51 123.23 2grj h ILE 19 Ca 0.33 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.85 2grj h ILE 19 Cb -0.05 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2grj h ILE 19 CO -0.10 0.11 0.64 -0.07 0.00 0.00 0.00 178.15 178.73 2grj h LEU 20 N -0.25 0.99 -0.03 1.44 3.38 -0.78 0.28 115.31 120.35 2grj h LEU 20 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2grj h LEU 20 Cb 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2grj h LEU 20 CO 0.01 0.59 0.00 0.50 0.09 0.00 0.00 178.44 179.63 2grj h LYS 21 N 1.09 0.05 0.03 1.13 3.64 -0.60 -0.57 116.57 121.34 2grj h LYS 21 Ca 0.46 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.57 2grj h LYS 21 Cb 0.31 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2grj h LYS 21 CO -0.21 0.34 -1.05 -0.91 -2.27 0.00 0.00 179.45 175.35 2grj h ASN 22 N -0.24 0.72 0.10 4.20 2.35 -0.40 -2.43 115.58 119.88 2grj h ASN 22 Ca 0.01 -0.60 -0.37 0.00 -0.55 0.00 0.00 56.30 54.78 2grj h ASN 22 Cb 0.32 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2grj h ASN 22 CO 0.00 1.41 -2.20 0.29 -1.65 0.00 0.00 177.43 175.29 2grj n LYS 23 N -3.78 0.70 0.00 0.81 5.02 0.94 -4.56 118.16 117.30 2grj n LYS 23 Ca -0.10 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 2grj n LYS 23 Cb 0.89 -1.63 0.04 0.00 -0.02 0.00 0.00 35.03 34.32 2grj n LYS 23 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2grj n TYR 24 N -3.30 0.00 -1.04 2.13 4.02 -0.32 -4.98 117.16 113.67 2grj n TYR 24 Ca -0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.51 2grj n TYR 24 Cb 1.03 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.35 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 0.97 0.50 3.76 2.72 0.00 -0.62 -4.94 105.19 107.59 2grj n GLY 25 Ca 0.08 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.03 3.13 -0.41 4.61 0.00 -0.61 -4.73 121.76 121.71 2grj s ALA 26 Ca 0.00 1.30 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 2grj s ALA 26 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2grj s ALA 26 CO 0.00 -1.04 0.71 -1.58 0.00 0.00 0.00 175.76 173.85 2grj s HIS 27 N -1.28 3.06 -0.29 0.00 2.46 0.43 -4.45 115.29 115.23 2grj s HIS 27 Ca 0.62 0.19 -0.19 0.00 0.47 0.00 0.00 55.06 56.16 2grj s HIS 27 Cb -0.39 -3.43 -0.02 0.00 -0.13 0.00 0.00 32.58 28.61 2grj s HIS 27 CO 0.50 -0.84 0.54 0.08 -2.47 0.00 0.00 174.74 172.55 2grj s VAL 28 N 3.01 5.03 -0.59 0.89 1.01 -1.26 -1.10 120.40 127.38 2grj s VAL 28 Ca 0.27 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 2grj s VAL 28 Cb -0.13 -3.90 0.10 0.00 0.00 0.00 0.00 36.38 32.45 2grj s VAL 28 CO 0.19 -0.03 0.72 -0.69 0.00 0.00 0.00 175.10 175.30 2grj s VAL 29 N 2.40 4.78 -0.63 2.92 1.01 0.97 -4.96 120.40 126.90 2grj s VAL 29 Ca 0.22 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 2grj s VAL 29 Cb -0.15 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.74 2grj s VAL 29 CO 0.11 -1.14 1.39 0.21 0.00 0.00 0.00 175.10 175.66 2grj s ASN 30 N 3.60 6.08 0.39 3.32 3.84 -1.26 -1.34 114.94 129.57 2grj s ASN 30 Ca 0.12 0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.40 2grj s ASN 30 Cb -0.23 -2.55 0.78 0.00 -0.55 0.00 0.00 41.25 38.69 2grj s ASN 30 CO 0.07 -1.80 1.79 0.58 -2.79 0.00 0.00 177.10 174.95 2grj h VAL 31 N 6.29 0.94 0.19 -5.21 2.07 -1.71 -2.61 116.25 116.20 2grj h VAL 31 Ca -0.27 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 2grj h VAL 31 Cb 1.08 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2grj h VAL 31 CO 1.22 0.35 -0.09 0.44 0.02 0.00 0.00 177.57 179.50 2grj h ASP 32 N 0.00 -0.21 -0.67 0.57 3.32 -1.90 -2.04 116.42 115.48 2grj h ASP 32 Ca -0.00 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2grj h ASP 32 Cb 0.79 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 2grj h ASP 32 CO 0.05 -0.12 0.38 0.03 -1.72 0.00 0.00 179.24 177.85 2grj h ARG 33 N -0.29 0.68 -0.95 3.56 -0.00 -1.90 -1.00 114.38 114.49 2grj h ARG 33 Ca -0.03 -0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2grj h ARG 33 Cb 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 29.98 2grj h ARG 33 CO 0.04 0.45 0.63 0.82 0.00 0.00 0.00 179.97 181.91 2grj h ILE 34 N 0.70 1.18 -0.62 2.04 2.04 -1.42 -0.96 117.51 120.47 2grj h ILE 34 Ca 0.30 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.83 2grj h ILE 34 Cb 0.17 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.04 2grj h ILE 34 CO -0.18 0.22 0.25 1.23 0.00 0.00 0.00 178.15 179.67 2grj h GLY 35 N 1.22 0.88 1.09 5.37 0.00 -0.46 -1.23 103.07 109.93 2grj h GLY 35 Ca 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2grj h GLY 35 CO -0.11 -0.00 0.53 0.45 0.00 0.00 0.00 176.54 177.41 2grj h HIS 36 N 0.44 1.17 -0.43 5.60 3.86 -0.23 -0.30 115.15 125.27 2grj h HIS 36 Ca 0.31 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 2grj h HIS 36 Cb 0.37 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2grj h HIS 36 CO -0.16 0.78 -0.28 0.93 0.86 0.00 0.00 177.93 180.07 2grj h GLU 37 N 1.23 0.92 -0.60 2.45 5.08 -1.12 -3.06 114.58 119.48 2grj h GLU 37 Ca 0.32 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2grj h GLU 37 Cb -0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2grj h GLU 37 CO -0.06 1.08 0.17 0.28 -1.00 0.00 0.00 179.01 179.47 2grj h VAL 38 N 0.78 1.25 -0.79 3.13 2.07 -0.68 -2.99 116.25 119.02 2grj h VAL 38 Ca 0.09 -0.87 0.14 0.00 0.82 0.00 0.00 66.70 66.87 2grj h VAL 38 Cb 0.85 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 2grj h VAL 38 CO 0.07 0.33 0.37 -0.07 0.02 0.00 0.00 177.57 178.30 2grj h LEU 39 N 0.87 0.43 -1.46 2.57 3.38 -0.97 0.65 115.31 120.77 2grj h LEU 39 Ca 0.19 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2grj h LEU 39 Cb 0.32 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2grj h LEU 39 CO -0.00 0.19 0.15 -0.33 0.09 0.00 0.00 178.44 178.53 2grj h GLU 40 N 0.55 0.51 0.00 1.13 4.39 -1.50 -2.25 114.58 117.41 2grj h GLU 40 Ca 0.43 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.07 2grj h GLU 40 Cb 0.60 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2grj h GLU 40 CO -0.36 0.42 0.00 0.93 -1.16 0.00 0.00 179.01 178.84 2grj h GLU 41 N 0.51 0.00 -0.05 2.33 5.08 -0.80 -3.25 114.58 118.39 2grj h GLU 41 Ca 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2grj h GLU 41 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2grj h GLU 41 CO -0.01 0.00 -0.42 1.33 -1.00 0.00 0.00 179.01 178.91 2grj n VAL 42 N -2.76 2.25 -0.22 3.13 0.24 -0.86 -4.83 118.33 115.28 2grj n VAL 42 Ca 0.02 -3.13 -0.00 0.00 -2.04 0.00 0.00 64.34 59.19 2grj n VAL 42 Cb 0.35 -0.25 0.07 0.00 -1.47 0.00 0.00 33.84 32.54 2grj n VAL 42 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2grj h LYS 43 N 0.96 -0.00 -0.56 7.34 1.63 -1.57 -1.36 116.57 123.02 2grj h LYS 43 Ca 0.03 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2grj h LYS 43 Cb 1.10 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 2grj h LYS 43 CO 0.06 -0.00 0.07 0.93 -3.45 0.00 0.00 179.45 177.06 2grj h GLU 44 N -0.00 0.94 -0.36 1.90 4.39 -1.91 -1.76 114.58 117.77 2grj h GLU 44 Ca 0.32 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 2grj h GLU 44 Cb 0.48 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2grj h GLU 44 CO -0.68 0.91 -0.20 0.87 -1.16 0.00 0.00 179.01 178.75 2grj h LYS 45 N 0.83 0.68 -0.35 2.33 1.57 -1.84 -1.28 116.57 118.51 2grj h LYS 45 Ca 0.17 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2grj h LYS 45 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2grj h LYS 45 CO 0.01 0.83 0.21 -0.07 -0.57 0.00 0.00 179.45 179.87 2grj h LEU 46 N 0.61 0.35 -0.56 2.94 3.38 -0.97 -0.14 115.31 120.92 2grj h LEU 46 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2grj h LEU 46 Cb 0.67 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2grj h LEU 46 CO 0.05 0.25 0.28 0.58 0.09 0.00 0.00 178.44 179.69 2grj h VAL 47 N 0.43 1.20 -0.99 1.22 2.07 -1.12 0.32 116.25 119.37 2grj h VAL 47 Ca 0.14 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.21 2grj h VAL 47 Cb -0.01 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 2grj h VAL 47 CO -0.06 0.22 0.63 -0.33 0.02 0.00 0.00 177.57 178.06 2grj h GLU 48 N 0.75 1.02 0.03 1.57 4.39 -0.93 0.17 114.58 121.57 2grj h GLU 48 Ca 0.19 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 2grj h GLU 48 Cb 0.10 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2grj h GLU 48 CO -0.03 0.67 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.08 2grj h LEU 49 N 1.05 0.26 -1.31 1.33 3.38 -0.21 -3.41 115.31 116.40 2grj h LEU 49 Ca 0.47 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2grj h LEU 49 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2grj h LEU 49 CO -0.22 1.08 0.00 0.49 0.09 0.00 0.00 178.44 179.88 2grj n PHE 50 N -4.42 0.01 0.00 1.13 3.72 0.10 -5.10 117.46 112.91 2grj n PHE 50 Ca -0.11 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2grj n PHE 50 Cb 0.58 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.13 -0.72 0.29 1.37 0.00 0.04 -4.51 105.19 101.79 2grj n GLY 51 Ca 0.02 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 1.38 -0.02 0.00 -1.93 -3.25 103.07 99.25 2grj h GLY 52 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2grj h GLY 52 CO 0.00 0.00 0.23 1.48 0.00 0.00 0.00 176.54 178.25 2grj h SER 53 N 0.00 0.73 0.00 0.19 4.64 -1.96 0.27 113.55 117.42 2grj h SER 53 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2grj h SER 53 Cb 0.41 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2grj h SER 53 CO 0.00 0.65 0.15 1.33 -0.87 0.00 0.00 176.83 178.09 2grj n VAL 54 N -4.34 0.47 -4.13 0.95 0.24 -1.23 -4.54 118.33 105.76 2grj n VAL 54 Ca 0.05 0.27 -0.23 0.00 -2.04 0.00 0.00 64.34 62.39 2grj n VAL 54 Cb 0.15 -1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 31.19 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 -1.98 3.26 -0.06 1.34 1.43 0.08 -1.96 118.68 120.80 2grj s LEU 55 Ca 0.00 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.25 2grj s LEU 55 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2grj s LEU 55 CO 0.00 -0.26 -0.19 1.21 0.23 0.00 0.00 176.35 177.34 2grj n GLU 56 N -1.12 0.29 0.00 1.70 4.07 -0.34 -4.86 120.64 120.38 2grj n GLU 56 Ca -0.04 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2grj n GLU 56 Cb 0.61 -1.01 0.00 0.00 -0.06 0.00 0.00 31.44 30.98 2grj n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2grj n ASP 57 N -3.99 0.00 -1.25 4.31 9.92 -1.26 -4.88 116.55 119.40 2grj n ASP 57 Ca -0.10 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.20 2grj n ASP 57 Cb 0.33 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.03 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 4.86 2.21 3.18 0.44 0.00 -1.26 -4.96 105.19 109.67 2grj n GLY 58 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2grj n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2grj s LYS 59 N -1.95 2.58 0.04 1.61 1.02 -1.26 -5.07 119.74 116.71 2grj s LYS 59 Ca 0.31 -0.77 -0.34 0.00 0.02 0.00 0.00 55.97 55.18 2grj s LYS 59 Cb 0.23 -2.03 -0.13 0.00 -0.52 0.00 0.00 37.83 35.38 2grj s LYS 59 CO 0.10 0.20 1.72 0.28 -0.92 0.00 0.00 175.35 176.73 2grj n VAL 60 N 3.42 0.28 -4.00 3.17 0.31 -1.26 -1.20 118.33 119.05 2grj n VAL 60 Ca -0.19 -0.05 -0.31 0.00 -0.01 0.00 0.00 64.34 63.78 2grj n VAL 60 Cb 0.53 -1.68 -0.15 0.00 -0.91 0.00 0.00 33.84 31.62 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 2.43 3.95 0.38 4.52 3.84 -0.83 -4.86 114.94 124.38 2grj s ASN 61 Ca 0.86 -1.18 0.11 0.00 0.21 0.00 0.00 52.86 52.86 2grj s ASN 61 Cb -0.69 -1.33 0.77 0.00 -0.55 0.00 0.00 41.25 39.45 2grj s ASN 61 CO 0.45 -0.19 1.88 0.03 -2.79 0.00 0.00 177.10 176.48 2grj h ARG 62 N 7.89 0.12 -0.10 0.43 3.08 -1.94 -1.61 114.38 122.26 2grj h ARG 62 Ca -0.21 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2grj h ARG 62 Cb 1.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2grj h ARG 62 CO 0.45 0.36 0.02 0.87 -1.07 0.00 0.00 179.97 180.60 2grj h LYS 63 N 0.11 0.15 -0.47 0.04 1.57 -1.96 0.14 116.57 116.15 2grj h LYS 63 Ca 0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2grj h LYS 63 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2grj h LYS 63 CO 0.03 0.33 0.06 0.87 -0.57 0.00 0.00 179.45 180.17 2grj h LYS 64 N -0.05 0.74 -0.18 3.15 1.57 -1.81 -1.10 116.57 118.89 2grj h LYS 64 Ca 0.03 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2grj h LYS 64 Cb 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2grj h LYS 64 CO 0.00 0.71 -0.26 1.25 -0.57 0.00 0.00 179.45 180.58 2grj h LEU 65 N 0.71 0.55 -1.16 2.94 5.85 -1.10 -2.85 115.31 120.25 2grj h LEU 65 Ca 0.15 -0.52 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2grj h LEU 65 Cb 0.35 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2grj h LEU 65 CO 0.01 0.96 0.59 0.00 -0.34 0.00 0.00 178.44 179.65 2grj h ALA 66 N 0.61 1.55 -0.77 1.25 0.00 -0.58 0.65 119.26 121.97 2grj h ALA 66 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2grj h ALA 66 Cb 0.84 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2grj h ALA 66 CO 0.06 0.30 0.50 0.78 0.00 0.00 0.00 179.25 180.90 2grj h GLY 67 N 0.99 0.97 0.00 0.00 0.00 -0.98 -1.39 103.07 102.66 2grj h GLY 67 Ca 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2grj h GLY 67 CO -0.16 0.16 -0.08 -2.22 0.00 0.00 0.00 176.54 174.24 2grj h ILE 68 N 0.67 0.69 0.00 2.60 2.04 -1.06 -3.36 117.51 119.09 2grj h ILE 68 Ca 0.36 -1.54 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 2grj h ILE 68 Cb 0.49 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2grj h ILE 68 CO -0.13 0.23 -0.57 -0.37 0.00 0.00 0.00 178.15 177.31 2grj h VAL 69 N -1.00 1.31 -0.27 1.67 -1.51 -0.88 -2.84 116.25 112.73 2grj h VAL 69 Ca -0.01 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 2grj h VAL 69 Cb 0.44 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 2grj h VAL 69 CO -0.01 0.56 0.00 0.49 -1.23 0.00 0.00 177.57 177.38 2grj n PHE 70 N -3.70 0.58 0.92 5.19 3.72 -0.53 -3.13 117.46 120.50 2grj n PHE 70 Ca -0.01 -0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.25 2grj n PHE 70 Cb 0.61 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.31 0.34 -3.73 -1.08 4.71 -1.07 -4.99 120.64 115.13 2grj n GLU 71 Ca 0.10 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 57.12 2grj n GLU 71 Cb 0.41 -1.45 -0.11 0.00 -1.01 0.00 0.00 31.44 29.28 2grj n GLU 71 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2grj s SER 72 N -2.96 -0.41 0.24 1.62 0.15 -1.18 -5.04 113.70 106.12 2grj s SER 72 Ca 0.07 0.76 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 2grj s SER 72 Cb 0.15 0.72 0.27 0.00 -1.71 0.00 0.00 66.02 65.45 2grj s SER 72 CO 0.83 -0.15 1.65 0.03 1.20 0.00 0.00 173.24 176.79 2grj h ARG 73 N 6.22 0.59 -0.35 5.44 3.08 -1.94 -2.30 114.38 125.12 2grj h ARG 73 Ca -0.31 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.51 2grj h ARG 73 Cb 1.18 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2grj h ARG 73 CO 0.29 0.83 0.16 0.93 -1.07 0.00 0.00 179.97 181.11 2grj h GLU 74 N 0.51 0.32 -0.36 0.04 5.08 -1.96 0.05 114.58 118.26 2grj h GLU 74 Ca 0.06 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2grj h GLU 74 Cb 0.78 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2grj h GLU 74 CO 0.06 0.21 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.33 2grj h ASN 75 N 0.33 0.66 -0.83 1.42 2.35 -1.83 -2.40 115.58 115.27 2grj h ASN 75 Ca 0.15 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 2grj h ASN 75 Cb 0.09 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2grj h ASN 75 CO -0.12 0.84 0.38 0.25 -1.65 0.00 0.00 177.43 177.13 2grj h LEU 76 N 0.46 1.11 -0.78 1.61 5.85 -1.23 -2.11 115.31 120.22 2grj h LEU 76 Ca 0.10 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2grj h LEU 76 Cb 0.53 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2grj h LEU 76 CO 0.03 0.94 0.48 0.50 -0.34 0.00 0.00 178.44 180.05 2grj h LYS 77 N 1.19 1.05 -0.78 1.25 3.64 -0.77 -0.98 116.57 121.17 2grj h LYS 77 Ca 0.28 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2grj h LYS 77 Cb 0.15 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 2grj h LYS 77 CO -0.03 0.73 0.48 0.87 -2.27 0.00 0.00 179.45 179.23 2grj h LYS 78 N 1.06 0.90 -0.21 1.90 1.57 -0.90 -0.63 116.57 120.27 2grj h LYS 78 Ca 0.28 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2grj h LYS 78 Cb -0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2grj h LYS 78 CO -0.05 0.59 -0.06 1.25 -0.57 0.00 0.00 179.45 180.61 2grj h LEU 79 N 0.92 0.42 -0.59 2.94 5.85 -0.91 -2.94 115.31 121.00 2grj h LEU 79 Ca 0.32 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2grj h LEU 79 Cb 0.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2grj h LEU 79 CO -0.13 0.69 0.30 -0.33 -0.34 0.00 0.00 178.44 178.63 2grj h GLU 80 N 0.13 0.55 -0.20 1.25 5.08 -0.84 -0.65 114.58 119.90 2grj h GLU 80 Ca 0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2grj h GLU 80 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2grj h GLU 80 CO 0.02 0.36 0.10 -0.07 -1.00 0.00 0.00 179.01 178.43 2grj h LEU 81 N 0.57 0.24 0.05 1.33 3.38 -1.14 -0.68 115.31 119.06 2grj h LEU 81 Ca 0.27 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 2grj h LEU 81 Cb 0.20 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2grj h LEU 81 CO -0.19 0.20 -0.69 0.25 0.09 0.00 0.00 178.44 178.10 2grj h LEU 82 N 0.28 0.52 0.00 1.67 5.85 -1.09 -3.42 115.31 119.12 2grj h LEU 82 Ca 0.07 -0.83 -0.27 0.00 0.84 0.00 0.00 57.88 57.69 2grj h LEU 82 Cb 0.02 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2grj h LEU 82 CO -0.01 1.29 -2.22 1.33 -0.34 0.00 0.00 178.44 178.49 2grj n VAL 83 N -4.18 1.02 -0.23 1.05 0.24 -0.35 -4.57 118.33 111.32 2grj n VAL 83 Ca -0.12 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.34 61.41 2grj n VAL 83 Cb 0.73 -0.38 0.06 0.00 -1.47 0.00 0.00 33.84 32.78 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 0.77 -0.72 6.34 3.86 -1.35 -2.83 115.15 121.23 2grj h HIS 84 Ca -0.40 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2grj h HIS 84 Cb 1.90 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 30.08 2grj h HIS 84 CO 0.00 0.46 0.46 -1.35 0.86 0.00 0.00 177.93 178.36 2grj h PRO 85 N 0.82 0.95 -1.53 2.45 0.11 -1.80 -0.79 132.00 132.21 2grj h PRO 85 Ca 0.25 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2grj h PRO 85 Cb -0.03 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.87 2grj h PRO 85 CO -0.08 0.64 0.00 1.28 -0.21 0.00 0.00 178.00 179.63 2grj n LEU 86 N -4.57 1.01 0.00 2.35 4.32 -1.07 -1.97 117.00 117.07 2grj n LEU 86 Ca 0.06 -0.50 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 2grj n LEU 86 Cb 0.03 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 2grj n LEU 86 CO 0.36 0.17 0.00 0.29 -1.22 0.00 0.00 177.39 176.99 2grj n LYS 88 N 0.78 0.00 -0.35 3.23 5.02 -0.30 -2.31 118.16 124.23 2grj n LYS 88 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2grj n LYS 88 Cb 0.17 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.46 2grj n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2grj h LYS 89 N 0.00 0.87 -0.19 1.97 3.64 -1.65 -1.08 116.57 120.13 2grj h LYS 89 Ca 0.00 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2grj h LYS 89 Cb 0.00 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2grj h LYS 89 CO 0.00 0.57 -0.62 -0.09 -2.27 0.00 0.00 179.45 177.05 2grj h ARG 90 N 0.90 0.75 0.19 1.90 9.65 -1.74 -2.08 114.38 123.95 2grj h ARG 90 Ca 0.51 -0.56 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2grj h ARG 90 Cb 0.63 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 2grj h ARG 90 CO -0.29 1.18 -0.13 0.28 2.80 0.00 0.00 179.97 183.81 2grj h VAL 91 N 0.48 0.72 -0.84 0.20 2.07 -1.66 -2.25 116.25 114.97 2grj h VAL 91 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2grj h VAL 91 Cb 1.24 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2grj h VAL 91 CO 0.13 0.00 0.45 -0.61 0.02 0.00 0.00 177.57 177.57 2grj h GLN 92 N -0.32 0.69 -0.79 1.57 5.75 -1.18 -1.01 115.11 119.81 2grj h GLN 92 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2grj h GLN 92 Cb 0.28 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2grj h GLN 92 CO 0.01 0.46 0.50 1.49 -2.65 0.00 0.00 178.83 178.64 2grj h GLU 93 N 0.71 1.05 -0.24 1.69 4.81 -1.20 -0.88 114.58 120.52 2grj h GLU 93 Ca 0.43 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 2grj h GLU 93 Cb 0.50 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2grj h GLU 93 CO -0.30 0.72 0.04 0.82 -0.73 0.00 0.00 179.01 179.56 2grj h ILE 94 N 1.08 1.23 -0.47 2.32 2.04 -0.63 -2.58 117.51 120.49 2grj h ILE 94 Ca 0.29 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.48 2grj h ILE 94 Cb -0.09 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 2grj h ILE 94 CO -0.06 0.24 0.04 0.40 0.00 0.00 0.00 178.15 178.77 2grj h ILE 95 N 0.20 0.68 -0.04 -0.67 2.04 -1.01 -1.98 117.51 116.74 2grj h ILE 95 Ca 0.07 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2grj h ILE 95 Cb 0.32 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2grj h ILE 95 CO 0.00 0.03 -0.10 0.78 0.00 0.00 0.00 178.15 178.86 2grj h ASN 96 N 0.16 0.05 -0.22 1.72 2.35 -1.02 -2.75 115.58 115.87 2grj h ASN 96 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2grj h ASN 96 Cb 0.34 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2grj h ASN 96 CO -0.35 0.16 0.00 0.29 -1.65 0.00 0.00 177.43 175.87 2grj n LYS 97 N -4.39 2.12 -4.71 0.81 5.02 -0.80 -4.86 118.16 111.36 2grj n LYS 97 Ca -0.02 -1.68 -0.25 0.00 -2.02 0.00 0.00 58.31 54.34 2grj n LYS 97 Cb 0.19 -1.46 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.72 1.26 0.30 -0.18 2.01 -0.88 -5.07 115.64 111.35 2grj s THR 98 Ca 0.35 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.81 2grj s THR 98 Cb 0.20 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2grj s THR 98 CO 0.30 0.37 0.33 -0.44 -0.69 0.00 0.00 174.62 174.48 2grj s SER 99 N 0.18 5.67 0.00 3.53 0.01 -1.26 -4.69 113.70 117.14 2grj s SER 99 Ca -0.06 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2grj s SER 99 Cb -0.12 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2grj s SER 99 CO 0.02 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2grj n GLY 100 N -1.41 -0.29 3.64 3.44 0.00 -0.78 -4.81 105.19 104.99 2grj n GLY 100 Ca -0.04 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.38 118.68 120.96 2grj s LEU 101 Ca 0.00 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 2grj s LEU 101 Cb 0.00 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 2grj s LEU 101 CO 0.00 -0.52 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.68 2grj s ILE 102 N 2.85 2.47 -0.16 6.68 1.01 -1.26 -0.43 121.20 132.36 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 -0.16 -0.69 0.00 0.00 0.00 174.94 174.72 2grj s VAL 103 N 0.26 2.57 -0.47 2.92 1.01 -0.26 -0.74 120.40 125.70 2grj s VAL 103 Ca -0.14 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 2grj s VAL 103 Cb -0.17 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.20 2grj s VAL 103 CO 0.07 0.51 0.38 -0.63 0.00 0.00 0.00 175.10 175.43 2grj s ILE 104 N 0.96 5.06 -0.34 2.22 1.01 -0.22 -0.02 121.20 129.87 2grj s ILE 104 Ca -0.03 -1.14 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 2grj s ILE 104 Cb -0.15 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 2grj s ILE 104 CO -0.03 -0.58 0.55 -0.70 0.00 0.00 0.00 174.94 174.18 2grj s GLU 105 N 1.60 3.71 -0.30 2.79 2.12 -0.45 -0.71 118.70 127.45 2grj s GLU 105 Ca 0.04 -0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.24 2grj s GLU 105 Cb -0.24 -3.79 0.15 0.00 0.26 0.00 0.00 34.13 30.51 2grj s GLU 105 CO 0.06 -0.63 0.76 0.00 -0.54 0.00 0.00 175.26 174.91 2grj s ALA 106 N 2.48 -2.31 0.32 6.30 0.00 -0.67 -1.67 121.76 126.20 2grj s ALA 106 Ca 0.21 2.19 0.08 0.00 0.00 0.00 0.00 51.96 54.44 2grj s ALA 106 Cb -0.15 -1.92 0.83 0.00 0.00 0.00 0.00 23.12 21.88 2grj s ALA 106 CO 0.13 -0.99 1.76 0.00 0.00 0.00 0.00 175.76 176.67 2grj h ALA 107 N 7.85 1.77 -0.87 0.00 0.00 -1.80 -2.42 119.26 123.79 2grj h ALA 107 Ca -0.18 0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.32 2grj h ALA 107 Cb 1.11 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 2grj h ALA 107 CO 0.10 -0.18 0.65 1.28 0.00 0.00 0.00 179.25 181.10 2grj n LEU 108 N -4.78 6.71 -0.13 0.00 4.77 -1.26 -4.25 117.00 118.06 2grj n LEU 108 Ca 0.24 -3.61 -0.04 0.00 -0.03 0.00 0.00 56.01 52.57 2grj n LEU 108 Cb 0.65 -0.88 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2grj n LEU 108 CO 0.20 1.15 0.82 0.25 -1.33 0.00 0.00 177.39 178.48 2grj h LEU 109 N 1.45 -0.27 -0.08 2.23 5.85 -1.80 -2.46 115.31 120.22 2grj h LEU 109 Ca 0.55 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 59.26 2grj h LEU 109 Cb 1.92 0.22 0.01 0.00 0.37 0.00 0.00 40.66 43.18 2grj h LEU 109 CO 1.13 -0.09 -0.41 0.50 -0.34 0.00 0.00 178.44 179.23 2grj h LYS 110 N 0.06 0.43 -1.72 1.25 3.64 -1.87 -1.41 116.57 116.95 2grj h LYS 110 Ca 0.21 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2grj h LYS 110 Cb 0.32 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2grj h LYS 110 CO -0.40 0.98 0.00 -2.13 -2.27 0.00 0.00 179.45 175.64 2grj n ARG 111 N -4.33 0.00 -0.23 1.90 0.63 -0.92 -4.56 116.66 109.14 2grj n ARG 111 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2grj n ARG 111 Cb 0.55 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 32.08 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 0.91 0.15 0.20 5.14 0.00 -1.16 -5.14 105.19 105.29 2grj n GLY 113 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.01 0.99 3.38 -1.51 -3.01 115.31 113.16 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 0.32 0.31 -2.24 0.09 0.00 0.00 178.44 176.93 2grj h ASP 115 N 0.00 0.00 0.99 -0.43 2.03 -1.80 0.78 116.42 118.00 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 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 2grj h ASP 115 CO 0.04 0.00 0.00 1.56 -1.03 0.00 0.00 179.24 179.81 2grj h GLN 116 N 0.00 0.00 0.00 4.15 1.08 -1.85 -1.68 115.11 116.81 2grj h GLN 116 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2grj h GLN 116 Cb 0.82 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2grj h GLN 116 CO -0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16 2grj n LEU 117 N -2.74 0.00 -4.87 1.46 4.77 0.27 -4.91 117.00 110.98 2grj n LEU 117 Ca 0.02 0.48 -0.37 0.00 -0.03 0.00 0.00 56.01 56.11 2grj n LEU 117 Cb 0.30 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 2grj n LEU 117 CO 0.25 -0.06 -0.08 0.00 -1.33 0.00 0.00 177.39 176.16 2grj h ASP 119 N 4.84 0.67 -5.12 0.00 3.32 -0.71 -3.47 116.42 115.95 2grj h ASP 119 Ca -0.54 -0.61 -0.14 0.00 0.02 0.00 0.00 57.03 55.76 2grj h ASP 119 Cb 1.23 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.39 2grj h ASP 119 CO 0.59 1.43 -0.69 -1.00 -1.72 0.00 0.00 179.24 177.86 2grj s HIS 120 N -3.01 0.41 -0.07 4.55 3.76 -1.11 -5.05 115.29 114.77 2grj s HIS 120 Ca -0.07 -0.83 0.03 0.00 -0.15 0.00 0.00 55.06 54.04 2grj s HIS 120 Cb 0.07 -0.30 0.01 0.00 1.11 0.00 0.00 32.58 33.46 2grj s HIS 120 CO 0.90 -0.29 -0.15 0.08 -0.85 0.00 0.00 174.74 174.42 2grj s VAL 121 N -2.82 1.36 -0.18 -0.90 1.01 -1.26 -0.83 120.40 116.78 2grj s VAL 121 Ca -0.03 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2grj s VAL 121 Cb -0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2grj s VAL 121 CO -0.06 0.40 0.02 -0.63 0.00 0.00 0.00 175.10 174.83 2grj s ILE 122 N 0.48 4.39 -0.22 2.22 1.01 0.60 -0.67 121.20 129.01 2grj s ILE 122 Ca -0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2grj s ILE 122 Cb -0.15 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 2grj s ILE 122 CO 0.04 0.46 0.06 -0.89 0.00 0.00 0.00 174.94 174.62 2grj s THR 123 N 0.46 4.49 -0.05 2.92 2.01 0.09 -1.12 115.64 124.44 2grj s THR 123 Ca 0.00 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 2grj s THR 123 Cb -0.13 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2grj s THR 123 CO 0.02 0.39 0.57 -0.69 -0.69 0.00 0.00 174.62 174.21 2grj s VAL 124 N 1.09 5.02 0.16 3.82 1.01 -0.06 -1.17 120.40 130.26 2grj s VAL 124 Ca 0.04 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2grj s VAL 124 Cb -0.14 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2grj s VAL 124 CO 0.03 0.37 -0.17 0.68 0.00 0.00 0.00 175.10 176.01 2grj s VAL 125 N 0.19 1.69 -0.09 2.92 -7.23 -0.83 -4.18 120.40 112.86 2grj s VAL 125 Ca 0.30 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 2grj s VAL 125 Cb -0.17 -1.78 0.09 0.00 0.56 0.00 0.00 36.38 35.08 2grj s VAL 125 CO 0.15 -0.36 0.77 0.00 -0.31 0.00 0.00 175.10 175.36 2grj s ALA 126 N -2.13 -1.82 0.71 1.32 0.00 -1.26 -0.69 121.76 117.89 2grj s ALA 126 Ca 0.14 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 2grj s ALA 126 Cb -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2grj s ALA 126 CO 0.06 -0.35 1.26 -1.54 0.00 0.00 0.00 175.76 175.18 2grj s SER 127 N -1.10 4.23 0.20 0.00 1.04 -1.26 -4.78 113.70 112.03 2grj s SER 127 Ca -0.08 2.52 -0.11 0.00 0.48 0.00 0.00 55.95 58.76 2grj s SER 127 Cb -0.00 -2.61 0.22 0.00 0.10 0.00 0.00 66.02 63.73 2grj s SER 127 CO 0.07 -2.25 1.77 -0.09 0.98 0.00 0.00 173.24 173.72 2grj h ARG 128 N -0.00 0.48 -0.70 4.02 2.43 -2.01 0.27 114.38 118.87 2grj h ARG 128 Ca -0.49 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2grj h ARG 128 Cb 1.32 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2grj h ARG 128 CO 0.50 0.32 0.40 0.93 -1.51 0.00 0.00 179.97 180.61 2grj h GLU 129 N 0.49 0.96 -0.34 0.20 5.08 -1.99 0.30 114.58 119.28 2grj h GLU 129 Ca 0.27 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2grj h GLU 129 Cb 0.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2grj h GLU 129 CO -0.23 0.70 0.20 1.15 -1.00 0.00 0.00 179.01 179.84 2grj h THR 130 N 0.95 1.12 -0.43 1.13 2.02 -1.71 -1.79 112.91 114.20 2grj h THR 130 Ca 0.25 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2grj h THR 130 Cb 0.01 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2grj h THR 130 CO -0.04 0.12 0.28 0.40 0.37 0.00 0.00 175.52 176.64 2grj h ILE 131 N 0.44 1.12 -0.49 3.11 2.04 -0.32 -2.70 117.51 120.71 2grj h ILE 131 Ca 0.12 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2grj h ILE 131 Cb 0.01 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2grj h ILE 131 CO -0.02 0.12 0.11 -0.07 0.00 0.00 0.00 178.15 178.28 2grj h LEU 132 N 0.58 0.70 -1.64 1.44 3.38 -0.70 -1.46 115.31 117.60 2grj h LEU 132 Ca 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2grj h LEU 132 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2grj h LEU 132 CO -0.03 0.70 -0.16 0.11 0.09 0.00 0.00 178.44 179.14 2grj h LYS 133 N 0.73 0.02 0.10 1.13 1.57 -1.06 -3.33 116.57 115.73 2grj h LYS 133 Ca 0.16 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.58 2grj h LYS 133 Cb 0.28 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2grj h LYS 133 CO -0.00 0.19 -1.96 0.54 -0.57 0.00 0.00 179.45 177.64 2grj n ARG 134 N -4.33 0.74 -4.60 3.15 1.74 -0.68 -4.95 116.66 107.72 2grj n ARG 134 Ca -0.02 0.26 -0.24 0.00 -0.77 0.00 0.00 57.85 57.08 2grj n ARG 134 Cb 0.24 -1.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 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 -6.88 1.73 0.21 0.55 3.84 -0.64 -5.05 114.94 108.70 2grj s ASN 135 Ca -0.20 -0.28 0.23 0.00 0.21 0.00 0.00 52.86 52.81 2grj s ASN 135 Cb 0.07 -0.63 0.02 0.00 -0.55 0.00 0.00 41.25 40.15 2grj s ASN 135 CO 0.78 0.07 1.07 0.08 -2.79 0.00 0.00 177.10 176.31 2grj h ARG 136 N 6.63 0.00 0.00 0.43 0.11 -1.88 -3.18 114.38 116.48 2grj h ARG 136 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2grj h ARG 136 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2grj h ARG 136 CO 0.48 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.94 2grj n GLU 137 N -2.69 0.10 -0.13 0.08 1.02 -1.26 -4.33 120.64 113.43 2grj n GLU 137 Ca 0.00 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.19 2grj n GLU 137 Cb 0.55 -1.63 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 2.71 0.51 -0.71 0.62 0.00 -1.91 -1.18 119.26 119.29 2grj h ALA 138 Ca 0.00 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2grj h ALA 138 Cb 0.52 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 2grj h ALA 138 CO 0.00 0.11 0.06 0.38 0.00 0.00 0.00 179.25 179.79 2grj h ASP 139 N 0.49 -0.22 -0.01 0.00 3.04 -1.81 0.53 116.42 118.43 2grj h ASP 139 Ca 0.13 0.17 -0.24 0.00 -3.24 0.00 0.00 57.03 53.85 2grj h ASP 139 Cb 0.18 0.28 0.01 0.00 -1.04 0.00 0.00 39.33 38.77 2grj h ASP 139 CO -0.01 -0.12 -0.91 -0.09 -2.04 0.00 0.00 179.24 176.06 2grj h ARG 140 N 0.15 0.70 0.00 4.15 2.43 -1.73 -3.36 114.38 116.72 2grj h ARG 140 Ca 0.39 -0.66 -0.14 0.00 -0.81 0.00 0.00 59.98 58.76 2grj h ARG 140 Cb 0.68 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 2grj h ARG 140 CO -0.59 1.26 -1.18 0.00 -1.51 0.00 0.00 179.97 177.95 2grj h ARG 141 N 0.43 0.00 -0.78 0.20 3.08 -0.47 -3.31 114.38 113.52 2grj h ARG 141 Ca -0.09 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.05 2grj h ARG 141 Cb 1.55 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.54 2grj h ARG 141 CO 0.18 0.30 0.51 -0.07 -1.07 0.00 0.00 179.97 179.83 2grj h LEU 142 N 0.00 0.66 -2.28 3.04 3.38 -1.07 -0.76 115.31 118.28 2grj h LEU 142 Ca -0.11 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2grj h LEU 142 Cb 1.49 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2grj h LEU 142 CO 0.05 0.40 0.19 0.11 0.09 0.00 0.00 178.44 179.27 2grj h LYS 143 N 0.74 0.00 -0.51 1.13 1.57 -1.75 0.13 116.57 117.87 2grj h LYS 143 Ca 0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 2grj h LYS 143 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2grj h LYS 143 CO -0.13 0.00 0.03 1.19 -0.57 0.00 0.00 179.45 179.97 2grj n PHE 144 N -3.67 1.83 -0.76 -1.35 3.72 -0.29 -4.37 117.46 112.57 2grj n PHE 144 Ca 0.01 -0.84 0.03 0.00 -0.05 0.00 0.00 57.45 56.60 2grj n PHE 144 Cb 0.30 -0.49 0.04 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.21 1.55 0.24 -1.08 6.02 0.45 -4.83 117.38 119.95 2grj n GLN 145 Ca 0.28 -1.55 0.17 0.00 -0.01 0.00 0.00 57.00 55.89 2grj n GLN 145 Cb 1.15 -0.98 0.88 0.00 1.02 0.00 0.00 30.24 32.30 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 -1.76 -0.83 114.58 115.97 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2grj h GLU 146 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 2grj n ASP 147 N -3.74 0.67 -4.45 1.42 5.75 -1.26 -4.60 116.55 110.35 2grj n ASP 147 Ca -0.00 -1.25 -0.44 0.00 -0.01 0.00 0.00 54.79 53.09 2grj n ASP 147 Cb 0.25 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.99 4.83 0.21 2.12 1.01 -0.32 -4.94 121.20 122.12 2grj s ILE 148 Ca 0.43 -1.91 0.06 0.00 0.00 0.00 0.00 60.65 59.23 2grj s ILE 148 Cb 0.21 -4.81 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2grj s ILE 148 CO 0.35 -1.53 0.16 0.68 0.00 0.00 0.00 174.94 174.59 2grj s VAL 149 N 2.31 4.43 0.20 2.92 -7.23 -1.26 -4.73 120.40 117.04 2grj s VAL 149 Ca 0.35 -1.27 -0.32 0.00 -1.81 0.00 0.00 61.98 58.93 2grj s VAL 149 Cb -0.04 -3.33 -0.13 0.00 0.56 0.00 0.00 36.38 33.44 2grj s VAL 149 CO -0.07 -0.24 1.68 -2.65 -0.31 0.00 0.00 175.10 173.51 2grj n PRO 150 N -0.78 2.60 -4.03 4.82 -0.02 -1.26 -4.99 135.00 131.34 2grj n PRO 150 Ca -0.08 0.94 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 2grj n PRO 150 Cb 0.56 -2.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 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 1.02 0.48 7.26 -0.52 -2.07 -1.26 -5.08 119.66 119.49 2grj s GLN 151 Ca 0.76 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 2grj s GLN 151 Cb -0.55 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.54 2grj s GLN 151 CO 0.34 -0.09 0.00 0.41 -1.32 0.00 0.00 175.29 174.64 2grj n GLY 152 N 0.82 2.28 3.57 2.60 0.00 -1.26 -3.35 105.19 109.85 2grj n GLY 152 Ca -0.19 -0.34 -0.38 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 5.12 -0.21 -0.61 1.01 0.16 -4.91 121.20 121.75 2grj s ILE 153 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 2grj s ILE 153 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2grj s ILE 153 CO 0.00 0.27 0.56 -0.69 0.00 0.00 0.00 174.94 175.08 2grj s VAL 154 N 1.69 5.07 -0.34 2.92 1.01 -1.26 -0.73 120.40 128.76 2grj s VAL 154 Ca 0.07 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.08 2grj s VAL 154 Cb -0.16 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2grj s VAL 154 CO 0.09 0.13 0.06 -0.69 0.00 0.00 0.00 175.10 174.69 2grj s VAL 155 N 1.89 2.70 0.06 2.92 1.01 -0.32 -4.96 120.40 123.69 2grj s VAL 155 Ca 0.25 -1.95 -0.31 0.00 0.00 0.00 0.00 61.98 59.98 2grj s VAL 155 Cb -0.16 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 2grj s VAL 155 CO 0.10 -0.43 1.21 0.00 0.00 0.00 0.00 175.10 175.97 2grj s ALA 156 N 1.07 3.40 -0.59 5.51 0.00 -1.26 -1.97 121.76 127.93 2grj s ALA 156 Ca 0.04 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.91 2grj s ALA 156 Cb -0.20 -3.45 0.29 0.00 0.00 0.00 0.00 23.12 19.75 2grj s ALA 156 CO -0.05 -0.46 0.81 -1.71 0.00 0.00 0.00 175.76 174.35 2grj n ASN 157 N 3.99 3.65 -0.39 0.00 5.15 0.14 -4.82 115.26 122.97 2grj n ASN 157 Ca 0.09 -3.46 0.06 0.00 -0.60 0.00 0.00 54.58 50.66 2grj n ASN 157 Cb 0.46 -0.63 0.13 0.00 -0.53 0.00 0.00 39.78 39.22 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 0.46 2.75 0.00 1.20 3.02 -1.26 -4.72 115.26 116.71 2grj n ASN 158 Ca 0.29 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 2grj n ASN 158 Cb 0.42 -0.28 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 -0.41 0.00 -4.94 6.41 3.41 -1.26 -5.08 113.62 111.75 2grj n SER 159 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.48 2grj n SER 159 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 3.87 3.21 0.18 6.66 -4.23 -1.26 -4.96 115.64 119.11 2grj s THR 160 Ca 0.00 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 2grj s THR 160 Cb 0.00 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.65 2grj s THR 160 CO 0.00 -0.23 1.66 0.25 -0.54 0.00 0.00 174.62 175.76 2grj h LEU 161 N -0.09 1.02 -0.96 4.79 5.85 -2.00 -1.92 115.31 121.99 2grj h LEU 161 Ca -0.45 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.03 2grj h LEU 161 Cb 1.28 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2grj h LEU 161 CO 0.58 1.03 0.63 -0.33 -0.34 0.00 0.00 178.44 180.01 2grj h GLU 162 N 0.96 1.18 -0.58 1.25 3.07 -1.99 0.16 114.58 118.64 2grj h GLU 162 Ca 0.19 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.88 2grj h GLU 162 Cb 0.47 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 2grj h GLU 162 CO 0.02 0.78 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.95 2grj h ASP 163 N 1.22 1.01 -0.54 1.42 3.32 -1.91 -0.80 116.42 120.14 2grj h ASP 163 Ca 0.38 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2grj h ASP 163 Cb -0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2grj h ASP 163 CO -0.12 1.07 0.22 0.25 -1.72 0.00 0.00 179.24 178.94 2grj h LEU 164 N 0.94 0.75 -1.02 1.55 5.85 -0.77 -2.14 115.31 120.48 2grj h LEU 164 Ca 0.16 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2grj h LEU 164 Cb 0.57 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 2grj h LEU 164 CO 0.03 0.71 0.66 -0.33 -0.34 0.00 0.00 178.44 179.18 2grj h GLU 165 N 0.74 1.26 -0.37 1.25 5.08 -0.27 -0.70 114.58 121.56 2grj h GLU 165 Ca 0.18 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2grj h GLU 165 Cb 0.20 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2grj h GLU 165 CO -0.01 0.83 0.20 0.87 -1.00 0.00 0.00 179.01 179.90 2grj h LYS 166 N 1.30 0.53 -0.53 2.33 6.56 -0.97 -1.93 116.57 123.86 2grj h LYS 166 Ca 0.39 -0.07 -0.08 0.00 -1.06 0.00 0.00 60.65 59.83 2grj h LYS 166 Cb -0.05 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 2grj h LYS 166 CO -0.11 0.45 -0.01 0.87 -2.06 0.00 0.00 179.45 178.59 2grj h LYS 167 N 0.47 0.91 -0.53 3.15 1.57 -0.80 -1.15 116.57 120.19 2grj h LYS 167 Ca 0.13 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 2grj h LYS 167 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2grj h LYS 167 CO -0.02 0.90 -0.09 0.28 -0.57 0.00 0.00 179.45 179.96 2grj h VAL 168 N 0.84 1.27 -0.66 0.50 2.07 -1.02 -1.58 116.25 117.66 2grj h VAL 168 Ca 0.16 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2grj h VAL 168 Cb 0.51 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2grj h VAL 168 CO 0.03 0.43 0.33 -0.08 0.02 0.00 0.00 177.57 178.30 2grj h GLU 169 N 0.88 0.95 -0.45 1.57 4.81 -0.99 -2.89 114.58 118.44 2grj h GLU 169 Ca 0.14 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2grj h GLU 169 Cb 0.64 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2grj h GLU 169 CO 0.04 0.74 0.02 0.93 -0.73 0.00 0.00 179.01 180.02 2grj h GLU 170 N 0.91 0.73 -1.15 1.92 5.08 -0.81 -0.58 114.58 120.69 2grj h GLU 170 Ca 0.23 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2grj h GLU 170 Cb 0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2grj h GLU 170 CO -0.03 0.73 0.00 0.28 -1.00 0.00 0.00 179.01 178.98 2grj n VAL 171 N -4.24 0.21 0.00 3.13 0.31 -0.63 -2.54 118.33 114.56 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 0.27 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 0.64 0.00 -0.02 5.55 5.02 -0.23 -1.94 118.16 127.18 2grj n LYS 173 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 2grj n LYS 173 Cb 0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.06 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 0.78 0.00 -0.35 3.38 -1.77 -3.39 115.31 113.97 2grj h LEU 174 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 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 1.32 -0.96 1.33 0.09 0.00 0.00 178.44 180.21 2grj n VAL 175 N -4.07 0.00 0.30 1.22 0.24 -0.82 -5.25 118.33 109.95 2grj n VAL 175 Ca -0.08 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.00 2grj n VAL 175 Cb 0.70 0.64 0.03 0.00 -1.47 0.00 0.00 33.84 33.73 2grj n VAL 175 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56