#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s VAL 11 N 0.00 4.72 0.63 3.15 1.01 -1.26 -4.98 120.40 123.67 3gfg s VAL 11 Ca 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 59.85 3gfg s VAL 11 Cb 0.00 -4.92 0.02 0.00 0.00 0.00 0.00 36.38 31.48 3gfg s VAL 11 CO 0.00 -1.67 0.96 -1.81 0.00 0.00 0.00 175.10 172.58 3gfg s ASP 12 N 3.45 5.40 0.58 3.32 1.01 -1.26 -5.04 116.67 124.12 3gfg s ASP 12 Ca 0.41 0.72 -0.20 0.00 0.71 0.00 0.00 52.55 54.20 3gfg s ASP 12 Cb -0.02 -1.61 -0.05 0.00 1.01 0.00 0.00 42.92 42.25 3gfg s ASP 12 CO -0.03 -1.22 1.15 0.35 0.21 0.00 0.00 175.17 175.63 3gfg n THR 13 N -2.72 3.85 -2.19 -1.27 -2.24 -1.26 -4.93 114.28 103.52 3gfg n THR 13 Ca 0.06 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 3gfg n THR 13 Cb 0.58 -1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 3gfg n THR 13 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gfg s ILE 14 N -1.40 3.66 -0.28 2.28 1.01 0.11 -4.79 121.20 121.79 3gfg s ILE 14 Ca 0.75 1.03 -0.22 0.00 0.00 0.00 0.00 60.65 62.20 3gfg s ILE 14 Cb -0.42 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3gfg s ILE 14 CO 0.47 -0.01 0.74 -0.54 0.00 0.00 0.00 174.94 175.60 3gfg s LYS 15 N 2.56 4.03 -0.13 2.79 -0.14 -1.26 -0.53 119.74 127.06 3gfg s LYS 15 Ca 0.65 0.61 -0.03 0.00 -1.36 0.00 0.00 55.97 55.84 3gfg s LYS 15 Cb -0.32 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.11 3gfg s LYS 15 CO 0.27 -0.57 -0.04 0.08 -0.76 0.00 0.00 175.35 174.33 3gfg s VAL 16 N 2.78 3.92 -0.22 3.17 1.01 0.90 -0.81 120.40 131.16 3gfg s VAL 16 Ca 0.30 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3gfg s VAL 16 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3gfg s VAL 16 CO 0.10 0.53 0.03 -0.83 0.00 0.00 0.00 175.10 174.93 3gfg s GLY 17 N -0.06 1.74 -0.19 4.51 0.00 0.39 -1.41 107.32 112.30 3gfg s GLY 17 Ca 0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 43.56 3gfg s GLY 17 CO 0.03 0.36 0.28 -0.42 0.00 0.00 0.00 173.10 173.34 3gfg s ILE 18 N 1.24 5.30 -0.35 0.90 1.01 0.22 -0.15 121.20 129.37 3gfg s ILE 18 Ca 0.04 0.49 -0.15 0.00 0.00 0.00 0.00 60.65 61.02 3gfg s ILE 18 Cb -0.15 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3gfg s ILE 18 CO 0.02 0.35 0.37 -0.76 0.00 0.00 0.00 174.94 174.91 3gfg s LEU 19 N 0.81 4.49 0.00 2.97 1.43 0.88 -0.97 118.68 128.29 3gfg s LEU 19 Ca 0.15 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3gfg s LEU 19 Cb -0.13 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3gfg s LEU 19 CO 0.04 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3gfg n GLY 20 N 4.97 -1.66 2.41 -3.19 0.00 0.03 -1.47 105.19 106.29 3gfg n GLY 20 Ca -0.09 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 3gfg n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gfg n TYR 21 N 0.49 3.29 -0.21 1.61 9.36 -1.26 -4.26 117.16 126.19 3gfg n TYR 21 Ca 0.00 -2.94 0.00 0.00 3.32 0.00 0.00 57.90 58.28 3gfg n TYR 21 Cb 0.00 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 3gfg n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gfg n GLY 22 N -0.52 1.25 0.26 2.98 0.00 -1.26 -4.44 105.19 103.45 3gfg n GLY 22 Ca 0.40 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 3gfg n GLY 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gfg h LEU 23 N 0.00 -0.56 0.40 0.99 5.85 -1.96 -2.47 115.31 117.57 3gfg h LEU 23 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gfg h LEU 23 Cb 0.00 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3gfg h LEU 23 CO 0.00 -0.34 -0.30 0.28 -0.34 0.00 0.00 178.44 177.74 3gfg h SER 24 N -0.53 -0.77 -0.80 1.25 0.02 -1.92 -0.93 113.55 109.86 3gfg h SER 24 Ca -0.03 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3gfg h SER 24 Cb 0.45 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 3gfg h SER 24 CO 0.02 -0.45 0.33 1.23 -1.14 0.00 0.00 176.83 176.81 3gfg h GLY 25 N -0.69 1.28 1.08 -3.77 0.00 -1.74 0.37 103.07 99.60 3gfg h GLY 25 Ca -0.04 -0.69 -0.28 0.00 0.00 0.00 0.00 47.33 46.32 3gfg h GLY 25 CO 0.01 0.65 -1.64 1.48 0.00 0.00 0.00 176.54 177.04 3gfg h SER 26 N 1.16 0.01 0.00 0.19 4.64 -1.38 0.05 113.55 118.22 3gfg h SER 26 Ca 0.27 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.34 3gfg h SER 26 Cb 0.21 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3gfg h SER 26 CO -0.02 1.02 -1.85 0.52 -0.87 0.00 0.00 176.83 175.63 3gfg n VAL 27 N -3.09 0.85 -0.02 0.95 0.31 -0.36 -4.28 118.33 112.70 3gfg n VAL 27 Ca -0.15 -0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 63.83 3gfg n VAL 27 Cb 1.04 -1.01 -0.13 0.00 -0.91 0.00 0.00 33.84 32.83 3gfg n VAL 27 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gfg n PHE 28 N -2.92 0.49 -0.05 3.52 3.72 -0.20 -4.48 117.46 117.54 3gfg n PHE 28 Ca -0.26 0.17 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 3gfg n PHE 28 Cb 0.79 -0.95 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 3gfg n PHE 28 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gfg n HIS 29 N -2.73 0.00 -0.27 1.38 8.25 -0.05 -4.60 115.22 117.20 3gfg n HIS 29 Ca -0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 3gfg n HIS 29 Cb 0.89 -0.42 0.03 0.00 1.12 0.00 0.00 29.99 31.61 3gfg n HIS 29 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3gfg h GLY 30 N -0.61 0.01 1.04 -1.41 0.00 -1.19 -2.09 103.07 98.83 3gfg h GLY 30 Ca -0.16 0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.56 3gfg h GLY 30 CO -0.10 -0.21 0.21 -2.55 0.00 0.00 0.00 176.54 173.89 3gfg h PRO 31 N -0.09 1.08 0.51 4.80 0.11 -1.78 -0.60 132.00 136.02 3gfg h PRO 31 Ca 0.28 -0.24 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3gfg h PRO 31 Cb 0.57 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3gfg h PRO 31 CO -0.80 0.94 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.47 3gfg h LEU 32 N 1.02 -1.01 -1.71 2.35 3.38 -1.71 -2.88 115.31 114.74 3gfg h LEU 32 Ca 0.22 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.29 3gfg h LEU 32 Cb 0.31 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3gfg h LEU 32 CO -0.01 -0.57 0.24 -0.07 0.09 0.00 0.00 178.44 178.12 3gfg h LEU 33 N -0.88 0.33 -0.97 1.67 3.38 -1.22 -2.01 115.31 115.61 3gfg h LEU 33 Ca -0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3gfg h LEU 33 Cb 0.75 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3gfg h LEU 33 CO 0.01 0.23 0.63 -0.78 0.09 0.00 0.00 178.44 178.63 3gfg h ASP 34 N 0.39 1.05 1.60 -0.43 3.58 -0.90 -2.60 116.42 119.10 3gfg h ASP 34 Ca 0.14 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3gfg h ASP 34 Cb 0.09 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3gfg h ASP 34 CO -0.03 0.71 0.00 -0.37 -2.88 0.00 0.00 179.24 176.66 3gfg h VAL 35 N 1.21 0.00 -3.40 2.25 -1.51 -1.20 -3.44 116.25 110.16 3gfg h VAL 35 Ca 0.39 -0.70 -0.59 0.00 -1.23 0.00 0.00 66.70 64.58 3gfg h VAL 35 Cb 0.04 1.67 -0.09 0.00 -2.13 0.00 0.00 31.29 30.78 3gfg h VAL 35 CO -0.13 0.00 -0.06 -0.76 -1.23 0.00 0.00 177.57 175.39 3gfg s LEU 36 N -5.47 4.21 0.50 4.19 1.43 -0.98 -4.96 118.68 117.59 3gfg s LEU 36 Ca 0.07 0.78 0.25 0.00 -1.03 0.00 0.00 54.13 54.20 3gfg s LEU 36 Cb 0.08 -2.74 1.31 0.00 0.03 0.00 0.00 46.19 44.87 3gfg s LEU 36 CO 0.61 -0.11 2.03 0.44 0.23 0.00 0.00 176.35 179.54 3gfg h ASP 37 N 7.13 0.00 0.08 2.29 5.19 -1.86 -2.96 116.42 126.29 3gfg h ASP 37 Ca -0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3gfg h ASP 37 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3gfg h ASP 37 CO 0.75 0.15 0.00 -0.33 -3.12 0.00 0.00 179.24 176.69 3gfg h GLU 38 N 0.00 0.00 -5.91 3.56 3.07 -1.92 -3.45 114.58 109.93 3gfg h GLU 38 Ca -0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3gfg h GLU 38 Cb 0.39 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.01 3gfg h GLU 38 CO 0.02 0.00 -0.85 0.71 -1.40 0.00 0.00 179.01 177.49 3gfg s TYR 39 N -3.85 1.76 -0.08 4.33 2.02 -1.12 0.04 117.35 120.45 3gfg s TYR 39 Ca -0.03 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3gfg s TYR 39 Cb 0.10 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 3gfg s TYR 39 CO 0.33 -0.03 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.97 3gfg s GLN 40 N -0.46 2.20 -0.41 -0.62 0.74 0.31 -4.86 119.66 116.56 3gfg s GLN 40 Ca 0.08 -0.58 -0.21 0.00 0.05 0.00 0.00 55.36 54.69 3gfg s GLN 40 Cb -0.08 -1.74 0.02 0.00 1.10 0.00 0.00 33.01 32.31 3gfg s GLN 40 CO -0.01 0.08 0.66 0.42 -0.55 0.00 0.00 175.29 175.89 3gfg s ILE 41 N 0.56 4.83 -0.13 -2.34 1.09 -1.26 -0.07 121.20 123.88 3gfg s ILE 41 Ca -0.16 0.32 0.13 0.00 -1.10 0.00 0.00 60.65 59.83 3gfg s ILE 41 Cb -0.17 -4.18 -0.24 0.00 -1.06 0.00 0.00 42.46 36.82 3gfg s ILE 41 CO 0.05 -0.52 0.33 -1.20 -0.10 0.00 0.00 174.94 173.51 3gfg n SER 42 N 6.25 0.68 -3.67 3.58 7.64 -0.50 -4.16 113.62 123.43 3gfg n SER 42 Ca -0.01 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 59.91 3gfg n SER 42 Cb 0.48 0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.90 3gfg n SER 42 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gfg s LYS 43 N -2.54 0.70 -0.06 1.43 1.02 -1.12 -1.62 119.74 117.55 3gfg s LYS 43 Ca -0.10 0.55 0.01 0.00 0.02 0.00 0.00 55.97 56.45 3gfg s LYS 43 Cb 0.07 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.74 3gfg s LYS 43 CO 0.81 -0.13 -0.06 0.42 -0.92 0.00 0.00 175.35 175.47 3gfg s ILE 44 N -0.15 0.68 -0.58 2.17 1.01 -0.84 -0.61 121.20 122.89 3gfg s ILE 44 Ca -0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 3gfg s ILE 44 Cb -0.03 -0.70 0.07 0.00 0.01 0.00 0.00 42.46 41.81 3gfg s ILE 44 CO 0.03 0.27 0.80 -0.32 0.00 0.00 0.00 174.94 175.71 3gfg s MET 45 N 1.02 3.14 0.19 2.79 -2.45 -0.14 -1.26 119.30 122.58 3gfg s MET 45 Ca -0.09 -0.86 -0.22 0.00 -1.25 0.00 0.00 55.69 53.27 3gfg s MET 45 Cb -0.14 -4.17 0.05 0.00 1.25 0.00 0.00 34.83 31.82 3gfg s MET 45 CO -0.00 -1.52 0.61 -0.08 1.05 0.00 0.00 175.02 175.08 3gfg s THR 46 N 3.30 0.01 -0.64 10.11 -1.32 -0.83 -0.79 115.64 125.47 3gfg s THR 46 Ca 0.19 -0.34 0.23 0.00 -1.21 0.00 0.00 61.69 60.56 3gfg s THR 46 Cb -0.18 -1.30 -0.07 0.00 -1.51 0.00 0.00 72.50 69.43 3gfg s THR 46 CO 0.11 -0.03 1.12 -1.54 -2.21 0.00 0.00 174.62 172.07 3gfg n SER 47 N -0.39 0.63 -3.90 8.08 3.41 -1.26 -4.60 113.62 115.60 3gfg n SER 47 Ca -0.13 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 3gfg n SER 47 Cb 0.63 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 3gfg n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gfg n ARG 48 N -1.97 3.05 -0.03 4.33 1.74 -1.26 -4.78 116.66 117.74 3gfg n ARG 48 Ca 0.02 -2.89 -0.04 0.00 -0.77 0.00 0.00 57.85 54.17 3gfg n ARG 48 Cb 0.43 -3.25 0.19 0.00 -1.02 0.00 0.00 32.46 28.81 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gfg h THR 49 N 4.19 1.25 -0.57 0.55 2.02 -2.01 -3.09 112.91 115.27 3gfg h THR 49 Ca 0.52 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 3gfg h THR 49 Cb 0.68 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3gfg h THR 49 CO 1.76 0.38 0.20 -0.33 0.37 0.00 0.00 175.52 177.90 3gfg h GLU 50 N 0.54 0.87 0.00 6.66 4.39 -2.00 -2.45 114.58 122.58 3gfg h GLU 50 Ca 0.09 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 3gfg h GLU 50 Cb 0.58 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3gfg h GLU 50 CO 0.04 0.77 -0.54 0.93 -1.16 0.00 0.00 179.01 179.05 3gfg h GLU 51 N 0.79 0.00 0.02 2.33 5.08 -1.95 -2.54 114.58 118.30 3gfg h GLU 51 Ca 0.19 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 3gfg h GLU 51 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3gfg h GLU 51 CO -0.01 0.54 -0.56 0.28 -1.00 0.00 0.00 179.01 178.26 3gfg h VAL 52 N 0.00 1.46 -0.88 3.13 2.07 -1.49 -2.73 116.25 117.81 3gfg h VAL 52 Ca -0.01 -2.11 0.21 0.00 0.82 0.00 0.00 66.70 65.61 3gfg h VAL 52 Cb 1.00 2.71 -0.12 0.00 -1.52 0.00 0.00 31.29 33.36 3gfg h VAL 52 CO 0.07 0.61 0.38 0.50 0.02 0.00 0.00 177.57 179.14 3gfg h LYS 53 N -0.22 0.39 0.12 1.57 3.64 -1.38 0.14 116.57 120.82 3gfg h LYS 53 Ca -0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3gfg h LYS 53 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3gfg h LYS 53 CO 0.11 0.26 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.40 3gfg h ARG 54 N 0.40 -0.16 -0.74 1.90 2.43 -1.44 -3.17 114.38 113.61 3gfg h ARG 54 Ca 0.54 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.74 3gfg h ARG 54 Cb 1.01 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 3gfg h ARG 54 CO -0.52 -0.10 0.48 -0.44 -1.51 0.00 0.00 179.97 177.88 3gfg h ASP 55 N -0.21 0.83 -3.44 -3.80 3.32 -1.41 -3.37 116.42 108.34 3gfg h ASP 55 Ca -0.02 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.40 3gfg h ASP 55 Cb 0.12 -0.20 -0.40 0.00 0.22 0.00 0.00 39.33 39.07 3gfg h ASP 55 CO 0.03 0.59 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.05 3gfg s PHE 56 N -6.13 2.17 0.37 4.55 0.08 0.47 -5.00 117.98 114.49 3gfg s PHE 56 Ca -0.13 -2.57 0.04 0.00 0.12 0.00 0.00 56.93 54.39 3gfg s PHE 56 Cb 0.15 -1.97 0.72 0.00 -0.57 0.00 0.00 43.02 41.35 3gfg s PHE 56 CO 0.78 -0.76 2.02 -1.35 -0.10 0.00 0.00 175.22 175.80 3gfg h PRO 57 N 6.49 0.73 -0.01 0.24 0.11 -1.70 -2.67 132.00 135.19 3gfg h PRO 57 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gfg h PRO 57 Cb 0.91 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3gfg h PRO 57 CO 0.51 0.49 -0.27 -0.25 -0.21 0.00 0.00 178.00 178.27 3gfg n ASP 58 N -4.45 0.93 -4.79 -2.05 8.00 -1.26 -4.90 116.55 108.02 3gfg n ASP 58 Ca 0.06 -0.80 -0.36 0.00 0.71 0.00 0.00 54.79 54.41 3gfg n ASP 58 Cb 0.08 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfg s ALA 59 N -2.55 3.03 -0.10 2.24 0.00 -1.01 -4.92 121.76 118.46 3gfg s ALA 59 Ca 0.23 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 3gfg s ALA 59 Cb 0.19 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 3gfg s ALA 59 CO 0.53 -0.18 0.13 -2.00 0.00 0.00 0.00 175.76 174.24 3gfg s GLU 60 N -2.73 3.37 -0.20 0.00 2.12 -0.64 -4.89 118.70 115.74 3gfg s GLU 60 Ca 0.60 -0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.64 3gfg s GLU 60 Cb -0.19 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3gfg s GLU 60 CO 0.24 0.75 0.09 0.08 -0.54 0.00 0.00 175.26 175.88 3gfg s VAL 61 N -1.06 5.02 0.29 3.70 1.01 -1.26 -1.99 120.40 126.11 3gfg s VAL 61 Ca 0.17 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.29 3gfg s VAL 61 Cb -0.12 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 3gfg s VAL 61 CO 0.06 0.44 -0.12 0.68 0.00 0.00 0.00 175.10 176.16 3gfg s VAL 62 N 0.50 2.10 0.00 2.92 -7.23 -0.39 -4.97 120.40 113.33 3gfg s VAL 62 Ca 0.05 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 3gfg s VAL 62 Cb -0.12 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3gfg s VAL 62 CO 0.00 -0.33 0.00 1.41 -0.31 0.00 0.00 175.10 175.88 3gfg n HIS 63 N -0.65 0.00 -4.31 2.82 8.25 -1.26 -1.97 115.22 118.10 3gfg n HIS 63 Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 3gfg n HIS 63 Cb 0.62 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 3gfg n HIS 63 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3gfg s GLU 64 N -1.66 2.86 0.38 -0.41 2.56 -1.26 -4.89 118.70 116.29 3gfg s GLU 64 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 54.97 54.47 3gfg s GLU 64 Cb 0.00 -2.72 0.73 0.00 2.00 0.00 0.00 34.13 34.14 3gfg s GLU 64 CO 0.00 0.65 2.02 1.25 -0.56 0.00 0.00 175.26 178.62 3gfg h LEU 65 N 4.59 0.60 -1.31 2.70 5.85 -2.01 -2.96 115.31 122.77 3gfg h LEU 65 Ca -0.49 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3gfg h LEU 65 Cb 1.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3gfg h LEU 65 CO 0.57 0.45 0.00 -0.62 -0.34 0.00 0.00 178.44 178.50 3gfg n GLU 66 N -4.44 0.16 0.17 1.25 4.71 -1.26 -1.51 120.64 119.72 3gfg n GLU 66 Ca 0.05 0.59 0.02 0.00 -0.01 0.00 0.00 57.16 57.81 3gfg n GLU 66 Cb 0.06 -1.96 0.29 0.00 -1.01 0.00 0.00 31.44 28.83 3gfg n GLU 66 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3gfg h GLU 67 N 0.00 0.00 0.00 3.49 5.08 -1.93 -1.41 114.58 119.82 3gfg h GLU 67 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3gfg h GLU 67 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3gfg h GLU 67 CO 0.00 0.46 -0.74 0.82 -1.00 0.00 0.00 179.01 178.55 3gfg h ILE 68 N 0.00 1.07 -0.76 3.13 1.08 -1.49 -3.34 117.51 117.20 3gfg h ILE 68 Ca -0.00 -2.08 -0.04 0.00 -0.39 0.00 0.00 64.86 62.34 3gfg h ILE 68 Cb 0.89 2.30 -0.03 0.00 -3.07 0.00 0.00 36.82 36.91 3gfg h ILE 68 CO 0.06 0.36 0.31 0.71 -0.69 0.00 0.00 178.15 178.90 3gfg h THR 69 N -1.00 1.25 -0.16 -0.27 1.35 -1.58 -1.99 112.91 110.51 3gfg h THR 69 Ca -0.19 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3gfg h THR 69 Cb 1.08 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3gfg h THR 69 CO -0.12 0.32 0.00 0.59 -0.25 0.00 0.00 175.52 176.06 3gfg n ASN 70 N -4.33 1.06 -4.51 5.36 4.13 -0.53 -4.76 115.26 111.68 3gfg n ASN 70 Ca 0.06 -1.81 -0.42 0.00 1.68 0.00 0.00 54.58 54.09 3gfg n ASN 70 Cb 0.18 -0.10 -0.08 0.00 -1.54 0.00 0.00 39.78 38.23 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gfg s ASP 71 N -1.26 6.26 0.57 6.41 2.15 -0.75 -4.97 116.67 125.08 3gfg s ASP 71 Ca 0.21 -0.40 0.33 0.00 0.43 0.00 0.00 52.55 53.13 3gfg s ASP 71 Cb 0.11 -2.26 1.70 0.00 -0.30 0.00 0.00 42.92 42.17 3gfg s ASP 71 CO 0.16 -0.59 2.14 1.55 -0.17 0.00 0.00 175.17 178.26 3gfg h PRO 72 N 8.69 0.00 -0.17 4.34 0.13 -1.85 -3.05 132.00 140.09 3gfg h PRO 72 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 3gfg h PRO 72 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3gfg h PRO 72 CO 0.81 0.06 -0.58 0.00 -0.23 0.00 0.00 178.00 178.06 3gfg h ALA 73 N 1.94 0.68 -2.37 -0.56 0.00 -1.93 -3.44 119.26 113.58 3gfg h ALA 73 Ca -0.00 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 53.85 3gfg h ALA 73 Cb 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gfg h ALA 73 CO 0.01 0.70 1.05 0.42 0.00 0.00 0.00 179.25 181.42 3gfg s ILE 74 N -3.94 3.26 -0.24 0.00 -1.09 -1.15 -4.68 121.20 113.36 3gfg s ILE 74 Ca -0.07 0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 58.85 3gfg s ILE 74 Cb 0.11 -3.35 -0.17 0.00 -1.58 0.00 0.00 42.46 37.47 3gfg s ILE 74 CO 0.84 -0.02 -0.15 -0.62 -1.23 0.00 0.00 174.94 173.75 3gfg n GLU 75 N 6.33 0.65 -4.77 2.79 1.02 0.01 -4.91 120.64 121.76 3gfg n GLU 75 Ca 0.17 0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 57.27 3gfg n GLU 75 Cb 0.41 -1.55 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 3gfg n GLU 75 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gfg s LEU 76 N -6.89 1.93 -0.07 -4.62 2.96 -0.93 -1.81 118.68 109.25 3gfg s LEU 76 Ca -0.34 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.30 3gfg s LEU 76 Cb 0.10 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 3gfg s LEU 76 CO 0.60 0.16 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.88 3gfg s VAL 77 N -0.07 2.36 -0.35 1.68 1.01 -0.30 -0.46 120.40 124.27 3gfg s VAL 77 Ca -0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3gfg s VAL 77 Cb -0.10 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3gfg s VAL 77 CO 0.01 0.57 0.19 -0.63 0.00 0.00 0.00 175.10 175.23 3gfg s ILE 78 N -0.13 4.62 -0.44 2.22 -1.09 0.79 -1.48 121.20 125.70 3gfg s ILE 78 Ca -0.04 -0.65 -0.20 0.00 -2.23 0.00 0.00 60.65 57.53 3gfg s ILE 78 Cb -0.14 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 3gfg s ILE 78 CO 0.04 -0.10 0.62 -0.69 -1.23 0.00 0.00 174.94 173.58 3gfg s VAL 79 N 1.59 4.85 0.00 2.92 1.01 0.28 -0.08 120.40 130.97 3gfg s VAL 79 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3gfg s VAL 79 Cb -0.18 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3gfg s VAL 79 CO 0.07 -0.58 0.27 0.35 0.00 0.00 0.00 175.10 175.21 3gfg n THR 80 N 5.81 0.00 -0.69 3.92 -2.24 -0.54 -1.39 114.28 119.15 3gfg n THR 80 Ca -0.02 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 3gfg n THR 80 Cb 0.48 1.25 0.17 0.00 -2.10 0.00 0.00 70.33 70.13 3gfg n THR 80 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gfg n THR 81 N -0.14 0.00 -1.71 4.28 -2.24 -1.09 -4.74 114.28 108.64 3gfg n THR 81 Ca 0.00 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 3gfg n THR 81 Cb 0.06 -0.81 0.06 0.00 -2.10 0.00 0.00 70.33 67.54 3gfg n THR 81 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3gfg n PRO 82 N -3.14 1.27 -0.31 -0.78 -0.02 -1.26 -4.65 135.00 126.10 3gfg n PRO 82 Ca 0.07 0.48 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 3gfg n PRO 82 Cb 0.54 -2.47 0.35 0.00 -0.02 0.00 0.00 33.50 31.91 3gfg n PRO 82 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3gfg h SER 83 N 0.85 0.04 0.10 2.55 0.02 -1.92 0.13 113.55 115.31 3gfg h SER 83 Ca -0.50 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3gfg h SER 83 Cb 1.33 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.15 3gfg h SER 83 CO 0.54 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 3gfg n GLY 84 N -1.37 -0.45 0.02 -3.77 0.00 -1.26 -1.35 105.19 97.00 3gfg n GLY 84 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3gfg n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gfg n LEU 85 N -1.25 0.46 -0.12 0.99 7.94 0.44 -4.75 117.00 120.71 3gfg n LEU 85 Ca 0.03 -0.70 -0.05 0.00 -1.11 0.00 0.00 56.01 54.19 3gfg n LEU 85 Cb 0.05 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.01 3gfg n LEU 85 CO 0.05 0.11 0.76 0.45 -1.11 0.00 0.00 177.39 177.65 3gfg h HIS 86 N 0.08 -0.31 -0.01 1.96 3.86 -1.12 -2.65 115.15 116.97 3gfg h HIS 86 Ca 0.00 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3gfg h HIS 86 Cb 0.03 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 3gfg h HIS 86 CO 0.00 -0.21 -0.25 -0.92 0.86 0.00 0.00 177.93 177.41 3gfg h TYR 87 N -0.04 -0.66 0.15 2.45 3.20 -1.84 -1.65 116.97 118.59 3gfg h TYR 87 Ca 0.20 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3gfg h TYR 87 Cb 0.35 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 3gfg h TYR 87 CO -0.39 -0.34 -0.30 0.93 -1.64 0.00 0.00 178.16 176.43 3gfg h GLU 88 N -0.38 -0.52 -0.17 1.82 5.08 -1.82 -0.80 114.58 117.79 3gfg h GLU 88 Ca 0.06 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 88 Cb 0.46 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3gfg h GLU 88 CO -0.22 -0.34 -0.04 0.45 -1.00 0.00 0.00 179.01 177.85 3gfg h HIS 89 N -0.53 0.36 -0.32 4.33 3.86 -1.47 -1.92 115.15 119.46 3gfg h HIS 89 Ca 0.02 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.23 3gfg h HIS 89 Cb 0.55 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.86 3gfg h HIS 89 CO -0.25 0.59 -0.20 1.15 0.86 0.00 0.00 177.93 180.08 3gfg h THR 90 N 0.03 0.45 -0.22 2.45 2.02 -1.31 -1.57 112.91 114.76 3gfg h THR 90 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3gfg h THR 90 Cb 0.47 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3gfg h THR 90 CO 0.02 0.00 -0.09 -0.03 0.37 0.00 0.00 175.52 175.79 3gfg h MET 91 N -0.16 0.35 -0.14 6.66 -1.53 -1.01 -1.44 114.93 117.65 3gfg h MET 91 Ca 0.17 -0.08 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3gfg h MET 91 Cb 0.41 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 3gfg h MET 91 CO -0.42 0.45 0.03 0.00 0.14 0.00 0.00 176.91 177.12 3gfg h ALA 92 N 1.58 0.19 -0.30 0.39 0.00 -0.94 -2.49 119.26 117.69 3gfg h ALA 92 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3gfg h ALA 92 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3gfg h ALA 92 CO 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 3gfg h ILE 94 N 0.04 0.59 -0.19 0.00 2.04 -1.28 0.38 117.51 119.08 3gfg h ILE 94 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 3gfg h ILE 94 Cb 0.21 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3gfg h ILE 94 CO -0.28 0.00 0.14 1.56 0.00 0.00 0.00 178.15 179.57 3gfg h GLN 95 N -0.41 0.00 -0.01 2.37 1.08 -1.31 0.16 115.11 117.00 3gfg h GLN 95 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3gfg h GLN 95 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3gfg h GLN 95 CO -0.04 0.00 -0.10 0.00 -0.95 0.00 0.00 178.83 177.74 3gfg n ALA 96 N -2.57 2.77 -1.33 3.87 0.00 -0.07 -4.96 120.51 118.22 3gfg n ALA 96 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3gfg n ALA 96 Cb 0.28 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3gfg n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfg n GLY 97 N 1.23 0.96 3.66 0.00 0.00 0.05 -4.97 105.19 106.11 3gfg n GLY 97 Ca 0.17 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 3gfg n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gfg s LYS 98 N -2.96 2.42 0.38 1.61 -0.14 -0.34 -5.01 119.74 115.70 3gfg s LYS 98 Ca 0.00 -0.93 -0.26 0.00 -1.36 0.00 0.00 55.97 53.43 3gfg s LYS 98 Cb 0.00 -2.46 -0.09 0.00 -1.68 0.00 0.00 37.83 33.61 3gfg s LYS 98 CO 0.00 0.52 1.14 -1.01 -0.76 0.00 0.00 175.35 175.23 3gfg s HIS 99 N -1.36 3.19 -0.07 3.18 3.76 -0.75 -4.33 115.29 118.92 3gfg s HIS 99 Ca 0.25 1.59 0.02 0.00 -0.15 0.00 0.00 55.06 56.78 3gfg s HIS 99 Cb -0.11 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.26 3gfg s HIS 99 CO 0.17 -1.06 -0.13 0.08 -0.85 0.00 0.00 174.74 172.96 3gfg s VAL 100 N -1.41 1.17 -0.33 -0.90 1.01 0.21 -1.16 120.40 119.00 3gfg s VAL 100 Ca 0.55 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3gfg s VAL 100 Cb -0.29 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3gfg s VAL 100 CO 0.37 0.36 0.15 -0.69 0.00 0.00 0.00 175.10 175.30 3gfg s VAL 101 N 0.69 4.44 0.05 2.92 1.01 -0.55 0.05 120.40 129.00 3gfg s VAL 101 Ca -0.14 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3gfg s VAL 101 Cb -0.16 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3gfg s VAL 101 CO 0.04 -0.02 0.56 -0.04 0.00 0.00 0.00 175.10 175.63 3gfg s MET 102 N 1.57 4.21 0.75 2.72 1.00 0.13 -0.56 119.30 129.12 3gfg s MET 102 Ca 0.03 0.71 -0.13 0.00 0.00 0.00 0.00 55.69 56.31 3gfg s MET 102 Cb -0.18 -3.26 0.05 0.00 0.00 0.00 0.00 34.83 31.44 3gfg s MET 102 CO 0.05 0.58 1.13 -1.21 0.00 0.00 0.00 175.02 175.58 3gfg s GLU 103 N -0.90 2.18 0.49 2.03 0.41 -0.49 -0.24 118.70 122.18 3gfg s GLU 103 Ca 0.29 1.44 -0.16 0.00 -0.41 0.00 0.00 54.97 56.12 3gfg s GLU 103 Cb -0.19 -1.87 -0.08 0.00 -1.78 0.00 0.00 34.13 30.21 3gfg s GLU 103 CO 0.18 -1.74 0.95 -1.59 -0.49 0.00 0.00 175.26 172.58 3gfg s LYS 104 N -4.38 3.97 0.41 1.61 0.00 -1.26 -3.88 119.74 116.20 3gfg s LYS 104 Ca 0.67 0.92 -0.24 0.00 0.00 0.00 0.00 55.97 57.32 3gfg s LYS 104 Cb -0.22 -2.17 -0.09 0.00 0.00 0.00 0.00 37.83 35.35 3gfg s LYS 104 CO 0.49 -0.21 1.06 -1.25 0.00 0.00 0.00 175.35 175.45 3gfg s PRO 105 N -3.91 4.11 0.00 1.78 0.04 -1.26 -4.98 135.00 130.78 3gfg s PRO 105 Ca 0.58 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3gfg s PRO 105 Cb -0.10 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3gfg s PRO 105 CO 0.29 -0.19 0.76 -0.12 0.04 0.00 0.00 177.00 177.77 3gfg n MET 106 N -0.16 0.00 -3.86 4.56 1.56 -1.25 -4.89 117.12 113.07 3gfg n MET 106 Ca 0.05 0.76 -0.12 0.00 -0.27 0.00 0.00 57.70 58.13 3gfg n MET 106 Cb 0.50 -1.25 -0.00 0.00 2.15 0.00 0.00 33.22 34.61 3gfg n MET 106 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3gfg n THR 107 N -2.08 0.00 0.09 1.12 -2.24 -1.26 -4.69 114.28 105.21 3gfg n THR 107 Ca 0.00 -1.39 -0.07 0.00 -2.27 0.00 0.00 64.05 60.31 3gfg n THR 107 Cb 0.00 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 3gfg n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfg h ALA 108 N 2.02 0.51 -2.92 6.98 0.00 -1.90 -3.46 119.26 120.50 3gfg h ALA 108 Ca -0.30 -0.77 -0.48 0.00 0.00 0.00 0.00 54.91 53.36 3gfg h ALA 108 Cb 1.21 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 3gfg h ALA 108 CO 0.39 1.01 -0.77 0.95 0.00 0.00 0.00 179.25 180.83 3gfg s THR 109 N -3.07 1.63 0.30 0.00 -4.23 -1.26 -4.90 115.64 104.12 3gfg s THR 109 Ca -0.01 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3gfg s THR 109 Cb 0.10 -1.73 0.04 0.00 1.34 0.00 0.00 72.50 72.25 3gfg s THR 109 CO 0.82 -0.35 1.71 0.00 -0.54 0.00 0.00 174.62 176.25 3gfg h ALA 110 N 3.36 1.13 -0.87 3.99 0.00 -1.87 -2.55 119.26 122.44 3gfg h ALA 110 Ca -0.41 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3gfg h ALA 110 Cb 1.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3gfg h ALA 110 CO 0.51 0.59 0.50 1.49 0.00 0.00 0.00 179.25 182.34 3gfg h GLU 111 N 0.14 1.20 -0.37 0.00 4.81 -1.97 0.12 114.58 118.51 3gfg h GLU 111 Ca 0.01 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3gfg h GLU 111 Cb 0.83 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3gfg h GLU 111 CO 0.06 0.86 0.20 0.93 -0.73 0.00 0.00 179.01 180.34 3gfg h GLU 112 N 1.21 0.51 -0.48 1.92 5.08 -1.95 -2.22 114.58 118.65 3gfg h GLU 112 Ca 0.31 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3gfg h GLU 112 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3gfg h GLU 112 CO -0.05 0.41 0.10 0.78 -1.00 0.00 0.00 179.01 179.25 3gfg h GLY 113 N 0.47 0.79 1.02 -3.84 0.00 -1.10 -2.49 103.07 97.92 3gfg h GLY 113 Ca 0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3gfg h GLY 113 CO -0.02 0.42 0.39 0.83 0.00 0.00 0.00 176.54 178.16 3gfg h GLU 114 N 0.71 1.12 -0.38 4.80 4.39 -0.60 -2.25 114.58 122.37 3gfg h GLU 114 Ca 0.16 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3gfg h GLU 114 Cb 0.29 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3gfg h GLU 114 CO 0.00 0.86 0.01 1.15 -1.16 0.00 0.00 179.01 179.86 3gfg h THR 115 N 1.10 1.26 -0.19 1.13 2.02 -0.97 -0.37 112.91 116.89 3gfg h THR 115 Ca 0.27 -0.98 0.03 0.00 0.77 0.00 0.00 66.41 66.49 3gfg h THR 115 Cb 0.09 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3gfg h THR 115 CO -0.04 0.33 0.03 -0.07 0.37 0.00 0.00 175.52 176.14 3gfg h LEU 116 N 0.50 -0.01 -0.79 2.58 3.38 -1.45 -1.19 115.31 118.32 3gfg h LEU 116 Ca 0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3gfg h LEU 116 Cb 0.46 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3gfg h LEU 116 CO 0.02 0.02 0.49 0.50 0.09 0.00 0.00 178.44 179.56 3gfg h LYS 117 N 0.10 0.90 -0.47 1.13 3.64 -1.11 0.18 116.57 120.93 3gfg h LYS 117 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3gfg h LYS 117 Cb 0.09 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3gfg h LYS 117 CO -0.12 0.59 0.15 0.00 -2.27 0.00 0.00 179.45 177.80 3gfg h ARG 118 N 0.93 0.74 -0.59 1.90 3.08 -0.83 -0.52 114.38 119.08 3gfg h ARG 118 Ca 0.33 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3gfg h ARG 118 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3gfg h ARG 118 CO -0.14 0.70 0.28 0.00 -1.07 0.00 0.00 179.97 179.74 3gfg h ALA 119 N 1.00 0.76 -0.46 0.04 0.00 -0.64 0.41 119.26 120.37 3gfg h ALA 119 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gfg h ALA 119 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3gfg h ALA 119 CO -0.00 0.33 0.30 0.00 0.00 0.00 0.00 179.25 179.88 3gfg h ALA 120 N 1.11 0.59 -0.16 0.00 0.00 -0.46 -0.09 119.26 120.24 3gfg h ALA 120 Ca 0.20 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3gfg h ALA 120 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gfg h ALA 120 CO -0.02 0.02 -0.57 -0.44 0.00 0.00 0.00 179.25 178.24 3gfg h ASP 121 N 0.61 0.57 1.45 0.00 3.32 -0.90 -0.65 116.42 120.81 3gfg h ASP 121 Ca 0.17 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3gfg h ASP 121 Cb -0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3gfg h ASP 121 CO -0.05 1.02 0.00 -0.33 -1.72 0.00 0.00 179.24 178.16 3gfg h GLU 122 N 0.39 0.00 -0.02 3.56 5.08 -0.68 -2.96 114.58 119.95 3gfg h GLU 122 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gfg h GLU 122 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gfg h GLU 122 CO 0.10 0.00 -0.18 1.17 -1.00 0.00 0.00 179.01 179.11 3gfg n LYS 123 N -2.98 1.71 -3.52 2.33 3.00 -0.07 -5.01 118.16 113.62 3gfg n LYS 123 Ca 0.02 -1.40 -0.20 0.00 -0.00 0.00 0.00 58.31 56.73 3gfg n LYS 123 Cb 0.40 -1.40 0.08 0.00 0.00 0.00 0.00 35.03 34.11 3gfg n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gfg n GLY 124 N 1.24 -0.44 3.40 3.14 0.00 -0.36 -5.00 105.19 107.17 3gfg n GLY 124 Ca 0.11 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 3gfg n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gfg s VAL 125 N -3.35 2.01 -0.11 1.61 -7.23 -0.59 -5.04 120.40 107.69 3gfg s VAL 125 Ca 0.25 -2.28 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 3gfg s VAL 125 Cb -0.11 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 3gfg s VAL 125 CO 0.74 -0.51 0.63 -0.76 -0.31 0.00 0.00 175.10 174.89 3gfg s LEU 126 N -3.40 4.27 -0.14 1.32 1.43 -1.26 -4.52 118.68 116.38 3gfg s LEU 126 Ca 0.26 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.40 3gfg s LEU 126 Cb -0.02 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.26 3gfg s LEU 126 CO 0.10 -0.12 -0.21 -0.22 0.23 0.00 0.00 176.35 176.12 3gfg s LEU 127 N 1.01 2.14 0.04 1.79 2.96 -1.26 0.67 118.68 126.03 3gfg s LEU 127 Ca 0.33 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3gfg s LEU 127 Cb -0.17 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3gfg s LEU 127 CO 0.14 0.08 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.65 3gfg s SER 128 N 0.82 0.59 -0.09 3.68 0.15 0.11 -3.54 113.70 115.41 3gfg s SER 128 Ca -0.07 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 3gfg s SER 128 Cb -0.15 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 3gfg s SER 128 CO -0.02 -0.29 -0.01 -0.69 1.20 0.00 0.00 173.24 173.42 3gfg s VAL 129 N -1.75 4.16 -1.46 4.45 1.01 -1.26 0.20 120.40 125.76 3gfg s VAL 129 Ca -0.10 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gfg s VAL 129 Cb -0.08 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.59 3gfg s VAL 129 CO -0.01 0.59 2.39 0.00 0.00 0.00 0.00 175.10 178.07 3gfg n TYR 130 N 2.38 2.98 -2.17 5.22 9.36 0.67 -4.74 117.16 130.85 3gfg n TYR 130 Ca -0.18 -2.96 -0.43 0.00 3.32 0.00 0.00 57.90 57.66 3gfg n TYR 130 Cb 0.53 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 3gfg n TYR 130 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3gfg n HIS 131 N 4.38 3.86 1.31 2.98 8.25 -1.26 -4.40 115.22 130.33 3gfg n HIS 131 Ca 0.59 -2.95 0.14 0.00 -0.26 0.00 0.00 57.72 55.25 3gfg n HIS 131 Cb 0.32 -2.44 0.70 0.00 1.12 0.00 0.00 29.99 29.69 3gfg n HIS 131 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3gfg n ASN 132 N 6.25 0.06 0.00 0.41 6.94 -1.26 -3.29 115.26 124.38 3gfg n ASN 132 Ca 0.48 -0.03 0.07 0.00 -0.02 0.00 0.00 54.58 55.07 3gfg n ASN 132 Cb 0.41 -0.30 0.37 0.00 -2.36 0.00 0.00 39.78 37.89 3gfg n ASN 132 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gfg n ARG 133 N -1.31 0.32 0.10 -3.83 3.00 -1.26 -0.22 116.66 113.47 3gfg n ARG 133 Ca 0.12 0.07 0.11 0.00 -0.01 0.00 0.00 57.85 58.14 3gfg n ARG 133 Cb 0.27 -1.50 0.46 0.00 0.00 0.00 0.00 32.46 31.69 3gfg n ARG 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gfg n ARG 134 N -1.11 0.17 -0.38 5.56 1.74 -1.21 -3.11 116.66 118.32 3gfg n ARG 134 Ca 0.08 0.36 0.07 0.00 -0.77 0.00 0.00 57.85 57.59 3gfg n ARG 134 Cb 0.07 -1.80 0.20 0.00 -1.02 0.00 0.00 32.46 29.91 3gfg n ARG 134 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3gfg n TRP 135 N -2.11 0.48 -2.25 -1.55 8.01 0.70 -4.47 117.44 116.26 3gfg n TRP 135 Ca 0.03 -1.12 -0.36 0.00 -1.31 0.00 0.00 57.50 54.73 3gfg n TRP 135 Cb 0.25 -0.27 -0.00 0.00 -2.01 0.00 0.00 31.31 29.27 3gfg n TRP 135 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3gfg s ASP 136 N -2.57 6.01 0.15 -0.99 1.11 -1.18 -1.19 116.67 118.01 3gfg s ASP 136 Ca 0.38 2.28 -0.20 0.00 0.18 0.00 0.00 52.55 55.19 3gfg s ASP 136 Cb 0.33 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.77 3gfg s ASP 136 CO 0.03 -1.03 1.66 -0.55 1.18 0.00 0.00 175.17 176.46 3gfg h ASN 137 N 1.77 -0.51 -0.26 0.27 7.08 -1.82 -0.19 115.58 121.92 3gfg h ASN 137 Ca -0.50 0.11 0.01 0.00 -3.08 0.00 0.00 56.30 52.85 3gfg h ASN 137 Cb 1.25 0.27 -0.02 0.00 -2.08 0.00 0.00 38.32 37.74 3gfg h ASN 137 CO 0.59 -0.19 0.14 -2.24 -2.08 0.00 0.00 177.43 173.65 3gfg h ASP 138 N -0.12 0.22 -0.51 6.14 3.04 -1.94 -1.11 116.42 122.15 3gfg h ASP 138 Ca 0.15 0.01 -0.10 0.00 -3.24 0.00 0.00 57.03 53.84 3gfg h ASP 138 Cb 0.34 -0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 38.58 3gfg h ASP 138 CO -0.35 0.17 -0.06 0.15 -2.04 0.00 0.00 179.24 177.10 3gfg h PHE 139 N 0.30 1.07 -0.83 4.15 3.57 -1.81 0.15 116.94 123.54 3gfg h PHE 139 Ca 0.11 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3gfg h PHE 139 Cb 0.01 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.43 3gfg h PHE 139 CO -0.09 0.99 0.55 -0.07 -2.23 0.00 0.00 178.31 177.46 3gfg h LEU 140 N 0.88 0.85 -0.41 0.59 3.38 -0.89 -1.02 115.31 118.69 3gfg h LEU 140 Ca 0.15 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3gfg h LEU 140 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gfg h LEU 140 CO 0.04 0.57 -0.11 0.74 0.09 0.00 0.00 178.44 179.77 3gfg h THR 141 N 0.98 1.28 0.04 0.22 2.02 -0.42 -1.32 112.91 115.70 3gfg h THR 141 Ca 0.35 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3gfg h THR 141 Cb 0.13 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3gfg h THR 141 CO -0.11 0.41 -0.06 0.40 0.37 0.00 0.00 175.52 176.53 3gfg h ILE 142 N 0.62 0.87 -0.74 3.11 2.04 -0.60 -0.18 117.51 122.62 3gfg h ILE 142 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 3gfg h ILE 142 Cb 0.64 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3gfg h ILE 142 CO 0.04 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.69 3gfg h LYS 143 N -0.12 0.64 -0.57 2.37 1.57 -1.12 -0.80 116.57 118.55 3gfg h LYS 143 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3gfg h LYS 143 Cb 0.12 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3gfg h LYS 143 CO -0.03 0.42 0.30 -0.22 -0.57 0.00 0.00 179.45 179.36 3gfg h LYS 144 N 0.66 0.80 0.11 3.15 3.64 -0.87 0.08 116.57 124.13 3gfg h LYS 144 Ca 0.36 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3gfg h LYS 144 Cb 0.35 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3gfg h LYS 144 CO -0.26 0.62 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.42 3gfg h LEU 145 N 0.77 -0.13 -0.36 5.20 3.38 -0.61 -2.10 115.31 121.46 3gfg h LEU 145 Ca 0.20 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3gfg h LEU 145 Cb 0.06 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3gfg h LEU 145 CO -0.03 -0.05 -0.16 0.40 0.09 0.00 0.00 178.44 178.68 3gfg h ILE 146 N -0.19 0.49 0.00 1.22 2.04 -1.01 -1.14 117.51 118.92 3gfg h ILE 146 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3gfg h ILE 146 Cb 0.15 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3gfg h ILE 146 CO 0.02 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.94 3gfg h SER 147 N -0.10 0.00 -0.50 1.72 4.64 -0.86 -1.99 113.55 116.46 3gfg h SER 147 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3gfg h SER 147 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gfg h SER 147 CO -0.43 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.91 3gfg n GLU 148 N -2.77 2.55 -2.47 4.77 1.02 -0.80 -4.93 120.64 118.01 3gfg n GLU 148 Ca 0.01 -1.95 -0.16 0.00 -0.02 0.00 0.00 57.16 55.03 3gfg n GLU 148 Cb 0.25 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3gfg n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 149 N 1.13 -0.28 0.06 0.62 0.00 -0.75 -4.91 105.19 101.06 3gfg n GLY 149 Ca 0.18 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3gfg n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 150 N -1.21 0.51 -3.12 1.61 7.64 -0.49 -4.46 113.62 114.11 3gfg n SER 150 Ca -0.16 0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 3gfg n SER 150 Cb 0.63 1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 64.85 3gfg n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gfg n LEU 151 N -2.34 2.94 -4.76 -3.43 4.77 -1.24 -4.72 117.00 108.21 3gfg n LEU 151 Ca -0.01 -5.36 -0.40 0.00 -0.03 0.00 0.00 56.01 50.21 3gfg n LEU 151 Cb 0.52 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3gfg n LEU 151 CO 0.42 2.26 0.85 -1.61 -1.33 0.00 0.00 177.39 177.98 3gfg s GLU 152 N -2.79 4.51 -1.07 3.23 0.41 -1.26 -4.30 118.70 117.43 3gfg s GLU 152 Ca 0.44 1.92 -0.07 0.00 -0.41 0.00 0.00 54.97 56.84 3gfg s GLU 152 Cb 0.26 -3.10 -0.06 0.00 -1.78 0.00 0.00 34.13 29.45 3gfg s GLU 152 CO -0.10 0.05 0.91 -3.47 -0.49 0.00 0.00 175.26 172.17 3gfg n ASP 153 N 0.97 -6.21 -4.70 -0.19 -0.08 -1.26 -2.47 116.55 102.61 3gfg n ASP 153 Ca -0.00 -0.73 -0.42 0.00 -1.51 0.00 0.00 54.79 52.12 3gfg n ASP 153 Cb 0.44 -5.04 -0.03 0.00 2.34 0.00 0.00 41.12 38.84 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gfg s ILE 154 N -3.40 2.92 -0.19 5.18 1.01 -1.26 -3.31 121.20 122.15 3gfg s ILE 154 Ca 0.43 0.48 0.13 0.00 0.00 0.00 0.00 60.65 61.69 3gfg s ILE 154 Cb -0.07 -3.31 -0.21 0.00 0.01 0.00 0.00 42.46 38.88 3gfg s ILE 154 CO 0.75 0.01 0.01 -0.46 0.00 0.00 0.00 174.94 175.25 3gfg n ASN 155 N 5.07 0.87 -3.89 3.58 0.23 0.18 -4.57 115.26 116.73 3gfg n ASN 155 Ca 0.15 -0.03 -0.19 0.00 -0.53 0.00 0.00 54.58 53.98 3gfg n ASN 155 Cb 0.40 0.68 -0.16 0.00 -2.08 0.00 0.00 39.78 38.62 3gfg n ASN 155 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3gfg s THR 156 N -2.44 0.48 -0.26 5.53 2.01 -0.86 -0.65 115.64 119.45 3gfg s THR 156 Ca -0.13 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3gfg s THR 156 Cb 0.06 -0.51 0.08 0.00 0.01 0.00 0.00 72.50 72.14 3gfg s THR 156 CO 0.70 0.21 0.04 -0.47 -0.69 0.00 0.00 174.62 174.40 3gfg s TYR 157 N 0.86 1.75 -0.18 4.92 5.04 -0.46 -0.30 117.35 128.98 3gfg s TYR 157 Ca -0.11 -1.52 -0.02 0.00 -2.44 0.00 0.00 57.07 52.98 3gfg s TYR 157 Cb -0.14 -1.51 -0.01 0.00 0.35 0.00 0.00 41.96 40.65 3gfg s TYR 157 CO 0.00 -0.77 -0.08 -0.65 -1.34 0.00 0.00 175.55 172.71 3gfg s GLN 158 N 1.61 3.40 -0.13 4.97 -0.21 -0.20 0.30 119.66 129.39 3gfg s GLN 158 Ca 0.02 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.77 3gfg s GLN 158 Cb -0.18 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.00 3gfg s GLN 158 CO -0.14 -0.00 -0.15 0.08 -2.12 0.00 0.00 175.29 172.96 3gfg s VAL 159 N 0.94 1.58 -0.02 1.09 1.01 0.23 -0.92 120.40 124.31 3gfg s VAL 159 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3gfg s VAL 159 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3gfg s VAL 159 CO 0.00 0.46 0.04 -0.94 0.00 0.00 0.00 175.10 174.66 3gfg s SER 160 N 1.23 5.43 -0.43 3.32 1.04 -0.03 -1.96 113.70 122.30 3gfg s SER 160 Ca -0.01 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.57 3gfg s SER 160 Cb -0.14 -1.51 0.17 0.00 0.10 0.00 0.00 66.02 64.64 3gfg s SER 160 CO -0.06 0.30 0.42 -0.47 0.98 0.00 0.00 173.24 174.40 3gfg s TYR 161 N -1.10 0.53 0.38 5.02 6.04 0.43 -4.68 117.35 123.97 3gfg s TYR 161 Ca 0.20 -1.96 0.07 0.00 0.04 0.00 0.00 57.07 55.42 3gfg s TYR 161 Cb -0.12 -0.66 -0.00 0.00 -1.04 0.00 0.00 41.96 40.14 3gfg s TYR 161 CO 0.10 -0.92 0.50 -0.80 -1.54 0.00 0.00 175.55 172.89 3gfg s ASN 162 N 0.24 5.72 0.13 4.32 0.01 -1.26 -4.24 114.94 119.85 3gfg s ASN 162 Ca 0.32 -0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 51.96 3gfg s ASN 162 Cb 0.03 -0.90 0.03 0.00 0.41 0.00 0.00 41.25 40.81 3gfg s ASN 162 CO -0.17 -0.59 0.40 0.00 -1.51 0.00 0.00 177.10 175.23 3gfg s ARG 163 N -4.24 1.10 -0.72 -0.60 1.70 -0.83 -4.95 118.95 110.41 3gfg s ARG 163 Ca 0.50 -0.76 -0.04 0.00 -0.47 0.00 0.00 55.73 54.96 3gfg s ARG 163 Cb -0.09 0.46 0.18 0.00 -0.57 0.00 0.00 34.95 34.94 3gfg s ARG 163 CO 0.31 -0.43 0.57 -0.47 -1.08 0.00 0.00 175.30 174.20 3gfg s TYR 164 N -3.82 3.57 -0.57 5.89 5.04 -1.25 -2.11 117.35 124.10 3gfg s TYR 164 Ca 0.04 -2.74 0.06 0.00 -2.44 0.00 0.00 57.07 52.00 3gfg s TYR 164 Cb 0.02 -3.27 0.24 0.00 0.35 0.00 0.00 41.96 39.30 3gfg s TYR 164 CO -0.10 -0.82 0.66 0.54 -1.34 0.00 0.00 175.55 174.49 3gfg n ARG 165 N 3.19 1.92 -0.13 4.97 1.74 -0.04 -4.96 116.66 123.34 3gfg n ARG 165 Ca 0.12 -4.21 -0.05 0.00 -0.77 0.00 0.00 57.85 52.95 3gfg n ARG 165 Cb 0.38 -1.94 0.15 0.00 -1.02 0.00 0.00 32.46 30.03 3gfg n ARG 165 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gfg h PRO 166 N 4.22 0.85 -6.66 5.56 0.13 -1.93 -3.42 132.00 130.75 3gfg h PRO 166 Ca 0.16 -0.22 -0.50 0.00 -0.87 0.00 0.00 66.00 64.57 3gfg h PRO 166 Cb 0.73 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3gfg h PRO 166 CO 0.71 0.82 0.33 -2.00 -0.23 0.00 0.00 178.00 177.63 3gfg s GLU 167 N -5.06 4.77 0.13 0.86 2.56 -1.26 -4.90 118.70 115.80 3gfg s GLU 167 Ca -0.10 1.43 -0.15 0.00 0.00 0.00 0.00 54.97 56.16 3gfg s GLU 167 Cb 0.15 -3.31 -0.07 0.00 2.00 0.00 0.00 34.13 32.90 3gfg s GLU 167 CO 0.81 0.43 0.54 0.08 -0.56 0.00 0.00 175.26 176.56 3gfg s VAL 168 N -0.80 4.86 0.00 3.70 1.01 -1.26 -5.21 120.40 122.70 3gfg s VAL 168 Ca 0.42 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3gfg s VAL 168 Cb -0.25 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3gfg s VAL 168 CO 0.30 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.69 3gfg n GLN 169 N 0.92 0.00 0.00 2.72 0.00 -1.26 -5.19 117.38 114.56 3gfg n GLN 169 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.94 3gfg n GLN 169 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 30.24 30.65 3gfg n GLN 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gfg n ALA 179 N -3.00 0.00 -2.00 2.61 0.00 -1.26 -5.16 120.51 111.71 3gfg n ALA 179 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3gfg n ALA 179 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3gfg n ALA 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gfg s THR 180 N 0.00 2.09 0.00 0.00 -4.23 -1.26 -4.70 115.64 107.53 3gfg s THR 180 Ca 0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3gfg s THR 180 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3gfg s THR 180 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3gfg n GLY 181 N -2.86 0.63 0.22 3.99 0.00 -1.26 -4.53 105.19 101.38 3gfg n GLY 181 Ca 0.16 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3gfg n GLY 181 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gfg h THR 182 N 0.00 0.63 -0.26 2.61 1.35 -1.65 -0.93 112.91 114.65 3gfg h THR 182 Ca 0.00 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 3gfg h THR 182 Cb 0.00 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3gfg h THR 182 CO 0.00 0.24 -0.00 0.25 -0.25 0.00 0.00 175.52 175.76 3gfg h LEU 183 N 0.00 0.46 -0.12 3.87 5.85 -1.86 0.63 115.31 124.14 3gfg h LEU 183 Ca -0.00 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3gfg h LEU 183 Cb 0.75 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3gfg h LEU 183 CO 0.03 0.66 -0.10 1.88 -0.34 0.00 0.00 178.44 180.57 3gfg h TYR 184 N 0.25 0.33 0.25 1.25 -1.99 -1.75 -1.60 116.97 113.71 3gfg h TYR 184 Ca 0.07 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 3gfg h TYR 184 Cb 0.42 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.08 3gfg h TYR 184 CO 0.04 0.67 -0.12 0.22 -0.00 0.00 0.00 178.16 178.97 3gfg h ASP 185 N -0.10 -0.28 0.07 3.88 3.58 -1.13 -3.34 116.42 119.10 3gfg h ASP 185 Ca 0.02 -0.17 -0.36 0.00 0.42 0.00 0.00 57.03 56.94 3gfg h ASP 185 Cb 0.60 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 3gfg h ASP 185 CO 0.03 0.22 -2.09 0.18 -2.88 0.00 0.00 179.24 174.70 3gfg n LEU 186 N -5.00 2.61 -0.10 2.28 4.77 0.19 -4.49 117.00 117.26 3gfg n LEU 186 Ca -0.07 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 3gfg n LEU 186 Cb 0.22 -1.03 0.25 0.00 -2.33 0.00 0.00 43.42 40.54 3gfg n LEU 186 CO 0.19 0.80 1.04 1.23 -1.33 0.00 0.00 177.39 179.32 3gfg h GLY 187 N 0.98 0.82 0.94 -0.72 0.00 -0.17 -2.22 103.07 102.69 3gfg h GLY 187 Ca -0.48 -0.42 0.08 0.00 0.00 0.00 0.00 47.33 46.52 3gfg h GLY 187 CO -0.03 0.40 0.50 1.48 0.00 0.00 0.00 176.54 178.88 3gfg h SER 188 N 0.75 0.65 0.16 0.19 4.64 -1.43 0.56 113.55 119.08 3gfg h SER 188 Ca 0.18 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3gfg h SER 188 Cb 0.18 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3gfg h SER 188 CO -0.01 0.40 -0.19 0.45 -0.87 0.00 0.00 176.83 176.61 3gfg h HIS 189 N 0.73 -0.50 0.00 4.77 3.86 -1.63 -1.08 115.15 121.31 3gfg h HIS 189 Ca 0.34 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 3gfg h HIS 189 Cb 0.36 0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 3gfg h HIS 189 CO -0.00 -0.28 -0.06 -0.84 0.86 0.00 0.00 177.93 177.61 3gfg h ILE 190 N -0.40 0.11 0.20 2.45 3.07 -1.41 -2.41 117.51 119.11 3gfg h ILE 190 Ca 0.01 -1.05 -0.01 0.00 1.55 0.00 0.00 64.86 65.36 3gfg h ILE 190 Cb 0.39 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 3gfg h ILE 190 CO -0.07 0.06 -0.10 0.40 -1.05 0.00 0.00 178.15 177.40 3gfg h ILE 191 N 0.00 0.85 -0.68 0.16 2.04 -0.81 -1.51 117.51 117.57 3gfg h ILE 191 Ca -0.00 -0.92 0.14 0.00 1.00 0.00 0.00 64.86 65.08 3gfg h ILE 191 Cb 0.96 1.34 -0.13 0.00 -0.74 0.00 0.00 36.82 38.25 3gfg h ILE 191 CO 0.01 0.19 -0.12 -0.78 0.00 0.00 0.00 178.15 177.44 3gfg h ASP 192 N -0.77 -0.55 -0.14 1.72 3.58 -1.08 0.64 116.42 119.82 3gfg h ASP 192 Ca -0.03 0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.67 3gfg h ASP 192 Cb 0.51 0.39 -0.06 0.00 1.72 0.00 0.00 39.33 41.89 3gfg h ASP 192 CO 0.04 -0.21 -0.28 1.56 -2.88 0.00 0.00 179.24 177.48 3gfg h GLN 193 N 0.03 -0.33 -0.51 0.28 4.20 -1.40 -0.40 115.11 116.97 3gfg h GLN 193 Ca 0.34 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.16 3gfg h GLN 193 Cb 0.54 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 3gfg h GLN 193 CO -0.67 -0.22 0.12 1.15 -0.67 0.00 0.00 178.83 178.54 3gfg h THR 194 N -0.35 0.74 -0.65 -0.54 2.02 0.01 -1.19 112.91 112.95 3gfg h THR 194 Ca 0.10 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3gfg h THR 194 Cb 0.50 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3gfg h THR 194 CO -0.34 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 175.79 3gfg h LEU 195 N 0.27 0.87 -0.65 2.58 3.38 -0.48 -1.01 115.31 120.28 3gfg h LEU 195 Ca 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gfg h LEU 195 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3gfg h LEU 195 CO -0.32 0.78 0.32 -0.74 0.09 0.00 0.00 178.44 178.57 3gfg h HIS 196 N 0.93 0.93 -0.38 1.13 2.76 -0.25 -0.67 115.15 119.61 3gfg h HIS 196 Ca 0.22 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.20 3gfg h HIS 196 Cb 0.19 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3gfg h HIS 196 CO 0.01 0.69 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.91 3gfg h LEU 197 N 0.89 0.92 -0.27 0.26 3.38 -0.79 -3.41 115.31 116.29 3gfg h LEU 197 Ca 0.22 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gfg h LEU 197 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gfg h LEU 197 CO -0.03 1.18 0.00 0.49 0.09 0.00 0.00 178.44 180.17 3gfg n PHE 198 N -4.06 0.00 -4.11 1.13 3.72 -0.42 -5.12 117.46 108.59 3gfg n PHE 198 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3gfg n PHE 198 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3gfg n PHE 198 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gfg n GLY 199 N 0.29 -1.72 3.75 1.37 0.00 -0.26 -4.87 105.19 103.75 3gfg n GLY 199 Ca 0.00 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 3gfg n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gfg s MET 200 N 0.00 4.56 0.86 1.61 -1.94 -1.26 -4.47 119.30 118.66 3gfg s MET 200 Ca 0.00 1.17 -0.13 0.00 -1.71 0.00 0.00 55.69 55.02 3gfg s MET 200 Cb 0.00 -3.34 0.12 0.00 2.01 0.00 0.00 34.83 33.62 3gfg s MET 200 CO 0.00 0.35 1.19 -1.25 -0.01 0.00 0.00 175.02 175.30 3gfg s PRO 201 N -0.35 1.51 0.29 2.03 0.04 -1.26 -4.99 135.00 132.27 3gfg s PRO 201 Ca 0.39 0.06 0.15 0.00 0.04 0.00 0.00 61.00 61.64 3gfg s PRO 201 Cb -0.22 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.58 3gfg s PRO 201 CO 0.25 -1.90 1.49 1.57 0.04 0.00 0.00 177.00 178.45 3gfg h LYS 202 N -1.28 0.00 -2.94 4.56 2.10 -0.94 -3.44 116.57 114.63 3gfg h LYS 202 Ca -0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 3gfg h LYS 202 Cb 1.31 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.50 3gfg h LYS 202 CO 0.60 0.50 0.10 0.00 -2.00 0.00 0.00 179.45 178.65 3gfg s ALA 203 N -3.05 -1.39 -0.06 0.07 0.00 -1.24 0.90 121.76 116.98 3gfg s ALA 203 Ca 0.03 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3gfg s ALA 203 Cb 0.08 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3gfg s ALA 203 CO 0.74 -0.64 -0.17 0.08 0.00 0.00 0.00 175.76 175.77 3gfg s VAL 204 N -3.19 1.44 -0.12 0.00 1.01 -0.76 -0.58 120.40 118.20 3gfg s VAL 204 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3gfg s VAL 204 Cb -0.00 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3gfg s VAL 204 CO -0.08 0.42 -0.22 -0.89 0.00 0.00 0.00 175.10 174.33 3gfg s THR 205 N 0.27 1.98 0.03 3.92 2.01 -0.25 -1.09 115.64 122.51 3gfg s THR 205 Ca -0.09 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 3gfg s THR 205 Cb -0.14 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 3gfg s THR 205 CO 0.04 0.54 0.08 0.00 -0.69 0.00 0.00 174.62 174.58 3gfg s ALA 206 N 0.70 -0.04 -0.09 7.40 0.00 -1.26 -0.26 121.76 128.21 3gfg s ALA 206 Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3gfg s ALA 206 Cb -0.16 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3gfg s ALA 206 CO 0.01 -0.29 -0.15 1.21 0.00 0.00 0.00 175.76 176.55 3gfg s ASN 207 N -2.02 2.24 -0.14 0.00 2.47 -0.83 -3.24 114.94 113.42 3gfg s ASN 207 Ca -0.07 -0.38 -0.01 0.00 0.42 0.00 0.00 52.86 52.82 3gfg s ASN 207 Cb -0.02 -1.01 0.04 0.00 -1.45 0.00 0.00 41.25 38.81 3gfg s ASN 207 CO -0.04 0.03 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.65 3gfg s VAL 208 N 0.83 0.83 0.24 -5.21 1.01 -1.26 -0.74 120.40 116.10 3gfg s VAL 208 Ca -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3gfg s VAL 208 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gfg s VAL 208 CO 0.01 0.15 0.17 1.15 0.00 0.00 0.00 175.10 176.58 3gfg n MET 209 N 4.98 0.39 -3.91 2.72 0.00 -0.46 -4.97 117.12 115.87 3gfg n MET 209 Ca -0.10 -2.29 -0.30 0.00 0.00 0.00 0.00 57.70 55.00 3gfg n MET 209 Cb 0.49 1.69 -0.14 0.00 0.00 0.00 0.00 33.22 35.25 3gfg n MET 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gfg s ALA 210 N -2.87 2.67 0.10 3.17 0.00 -1.26 -1.92 121.76 121.65 3gfg s ALA 210 Ca 0.23 -2.60 -0.12 0.00 0.00 0.00 0.00 51.96 49.48 3gfg s ALA 210 Cb 0.01 -1.95 -0.16 0.00 0.00 0.00 0.00 23.12 21.02 3gfg s ALA 210 CO 0.17 -1.83 1.28 1.96 0.00 0.00 0.00 175.76 177.34 3gfg h GLN 211 N 7.27 0.74 -7.03 0.00 4.20 -1.88 -3.46 115.11 114.96 3gfg h GLN 211 Ca -0.06 -0.66 -0.54 0.00 0.06 0.00 0.00 58.65 57.45 3gfg h GLN 211 Cb 0.97 0.15 0.12 0.00 0.30 0.00 0.00 27.48 29.02 3gfg h GLN 211 CO 0.55 1.26 0.59 1.03 -0.67 0.00 0.00 178.83 181.59 3gfg s ARG 212 N -3.62 3.31 0.44 1.46 0.52 -1.26 -4.88 118.95 114.92 3gfg s ARG 212 Ca -0.10 2.15 0.15 0.00 -0.52 0.00 0.00 55.73 57.41 3gfg s ARG 212 Cb 0.08 -2.32 1.07 0.00 0.52 0.00 0.00 34.95 34.30 3gfg s ARG 212 CO 0.91 -1.02 1.97 1.49 0.02 0.00 0.00 175.30 178.66 3gfg h GLU 213 N 1.65 0.36 -0.09 3.54 4.81 -1.90 -2.24 114.58 120.71 3gfg h GLU 213 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3gfg h GLU 213 Cb 1.29 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3gfg h GLU 213 CO 0.58 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 179.19 3gfg n ASN 214 N -4.46 2.46 -4.73 1.04 4.13 -1.26 -5.06 115.26 107.37 3gfg n ASN 214 Ca 0.11 -2.38 -0.42 0.00 1.68 0.00 0.00 54.58 53.57 3gfg n ASN 214 Cb 0.42 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gfg s ALA 215 N -1.66 3.66 -0.06 5.41 0.00 -0.84 -4.91 121.76 123.35 3gfg s ALA 215 Ca 0.17 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.63 3gfg s ALA 215 Cb 0.13 -3.57 -0.32 0.00 0.00 0.00 0.00 23.12 19.37 3gfg s ALA 215 CO 0.05 -0.72 0.45 0.39 0.00 0.00 0.00 175.76 175.93 3gfg n GLU 216 N 3.07 0.66 -4.07 0.00 -0.58 -1.26 -4.93 120.64 113.53 3gfg n GLU 216 Ca 0.09 -0.16 -0.22 0.00 -0.42 0.00 0.00 57.16 56.45 3gfg n GLU 216 Cb 0.40 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.70 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gfg s THR 217 N -3.38 4.41 0.07 2.62 -4.23 -1.26 -5.03 115.64 108.83 3gfg s THR 217 Ca -0.08 -1.37 -0.31 0.00 -1.18 0.00 0.00 61.69 58.75 3gfg s THR 217 Cb 0.13 -3.41 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 3gfg s THR 217 CO 0.90 -0.33 1.58 -0.69 -0.54 0.00 0.00 174.62 175.53 3gfg s VAL 218 N -2.14 3.14 -0.02 2.29 1.01 -1.26 -4.46 120.40 118.95 3gfg s VAL 218 Ca 0.34 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.98 3gfg s VAL 218 Cb -0.08 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.95 3gfg s VAL 218 CO 0.25 0.01 0.89 -0.90 0.00 0.00 0.00 175.10 175.35 3gfg n ASP 219 N 5.29 0.63 -3.66 3.32 5.68 -0.81 -1.54 116.55 125.45 3gfg n ASP 219 Ca 0.15 -1.91 -0.10 0.00 -0.50 0.00 0.00 54.79 52.43 3gfg n ASP 219 Cb 0.41 -0.16 -0.08 0.00 -1.14 0.00 0.00 41.12 40.15 3gfg n ASP 219 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3gfg s TYR 220 N -0.61 -0.85 0.03 2.11 5.04 -1.07 -2.86 117.35 119.15 3gfg s TYR 220 Ca 0.06 1.80 -0.10 0.00 -2.44 0.00 0.00 57.07 56.39 3gfg s TYR 220 Cb 0.05 0.44 0.01 0.00 0.35 0.00 0.00 41.96 42.80 3gfg s TYR 220 CO 0.01 -0.43 0.21 -0.59 -1.34 0.00 0.00 175.55 173.40 3gfg s PHE 221 N 1.22 0.02 -0.22 4.97 -0.12 -0.63 -1.36 117.98 121.86 3gfg s PHE 221 Ca -0.07 -0.20 -0.03 0.00 -0.05 0.00 0.00 56.93 56.58 3gfg s PHE 221 Cb -0.06 -0.01 0.11 0.00 -0.63 0.00 0.00 43.02 42.43 3gfg s PHE 221 CO -0.12 -0.42 0.27 -1.58 -0.05 0.00 0.00 175.22 173.31 3gfg s HIS 222 N -2.36 -0.43 -0.15 3.49 2.46 0.08 -1.94 115.29 116.44 3gfg s HIS 222 Ca -0.07 0.32 -0.02 0.00 0.47 0.00 0.00 55.06 55.76 3gfg s HIS 222 Cb -0.02 -0.28 -0.02 0.00 -0.13 0.00 0.00 32.58 32.13 3gfg s HIS 222 CO -0.03 -0.67 -0.09 -0.51 -2.47 0.00 0.00 174.74 170.97 3gfg s LEU 223 N 2.38 2.90 -0.24 8.88 1.02 0.23 -1.96 118.68 131.90 3gfg s LEU 223 Ca 0.09 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 53.89 3gfg s LEU 223 Cb -0.15 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.34 3gfg s LEU 223 CO -0.16 0.14 0.08 -0.89 0.02 0.00 0.00 176.35 175.54 3gfg s THR 224 N 0.50 4.47 -0.36 5.49 2.01 0.65 -0.66 115.64 127.73 3gfg s THR 224 Ca -0.07 -0.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 3gfg s THR 224 Cb -0.15 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 3gfg s THR 224 CO 0.04 0.35 0.39 -0.76 -0.69 0.00 0.00 174.62 173.95 3gfg s LEU 225 N 1.41 4.53 -0.43 4.42 1.02 0.62 -1.09 118.68 129.17 3gfg s LEU 225 Ca 0.05 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.59 3gfg s LEU 225 Cb -0.15 -2.37 0.03 0.00 0.02 0.00 0.00 46.19 43.72 3gfg s LEU 225 CO 0.04 -0.41 1.13 -0.62 0.02 0.00 0.00 176.35 176.51 3gfg s ASP 226 N 1.75 6.72 -0.23 2.29 -1.08 0.26 -1.91 116.67 124.46 3gfg s ASP 226 Ca 0.12 0.66 0.11 0.00 -0.52 0.00 0.00 52.55 52.92 3gfg s ASP 226 Cb -0.17 -2.55 0.44 0.00 -1.46 0.00 0.00 42.92 39.19 3gfg s ASP 226 CO 0.12 -1.15 1.28 -1.22 0.52 0.00 0.00 175.17 174.73 3gfg n TYR 227 N 7.58 0.30 0.00 -5.34 4.01 -0.48 -0.21 117.16 123.02 3gfg n TYR 227 Ca 0.12 -1.51 0.00 0.00 -0.16 0.00 0.00 57.90 56.35 3gfg n TYR 227 Cb 0.48 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3gfg n TYR 227 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gfg n GLY 228 N -1.13 2.04 0.26 2.72 0.00 -1.26 -3.39 105.19 104.43 3gfg n GLY 228 Ca 0.23 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3gfg n GLY 228 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gfg h LYS 229 N 0.00 0.87 -6.43 1.61 3.64 -1.97 -3.41 116.57 110.87 3gfg h LYS 229 Ca 0.00 -0.15 -0.54 0.00 -1.27 0.00 0.00 60.65 58.69 3gfg h LYS 229 Cb 0.00 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3gfg h LYS 229 CO 0.00 0.74 0.61 -1.17 -2.27 0.00 0.00 179.45 177.35 3gfg s LEU 230 N -9.78 4.34 -0.12 5.20 2.96 -1.22 -4.82 118.68 115.24 3gfg s LEU 230 Ca -0.13 1.96 0.03 0.00 -0.22 0.00 0.00 54.13 55.77 3gfg s LEU 230 Cb 0.13 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.25 3gfg s LEU 230 CO 0.79 -0.51 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.00 3gfg s GLN 231 N 1.44 2.87 -0.19 1.98 -1.52 0.17 -1.39 119.66 123.03 3gfg s GLN 231 Ca 0.58 -0.80 -0.02 0.00 -1.95 0.00 0.00 55.36 53.17 3gfg s GLN 231 Cb -0.28 -2.28 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 3gfg s GLN 231 CO 0.27 0.03 -0.09 0.00 -0.25 0.00 0.00 175.29 175.25 3gfg s ALA 232 N 0.71 2.68 -0.17 6.09 0.00 -0.80 -1.36 121.76 128.91 3gfg s ALA 232 Ca -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3gfg s ALA 232 Cb -0.16 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 3gfg s ALA 232 CO 0.01 -0.21 -0.06 0.42 0.00 0.00 0.00 175.76 175.92 3gfg s ILE 233 N 1.11 3.56 -0.09 0.00 -1.09 0.15 -0.27 121.20 124.55 3gfg s ILE 233 Ca 0.01 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 3gfg s ILE 233 Cb -0.14 -2.56 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3gfg s ILE 233 CO -0.02 0.48 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.31 3gfg s LEU 234 N 0.64 1.42 0.19 2.97 1.43 0.16 -0.60 118.68 124.89 3gfg s LEU 234 Ca -0.04 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3gfg s LEU 234 Cb -0.15 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.23 3gfg s LEU 234 CO 0.02 -0.05 0.43 -0.72 0.23 0.00 0.00 176.35 176.27 3gfg s TYR 235 N 1.22 0.11 -0.29 0.29 -0.85 -0.83 0.78 117.35 117.79 3gfg s TYR 235 Ca -0.04 -0.46 -0.25 0.00 -0.52 0.00 0.00 57.07 55.79 3gfg s TYR 235 Cb -0.14 0.21 0.17 0.00 0.38 0.00 0.00 41.96 42.58 3gfg s TYR 235 CO -0.03 -0.85 1.30 0.20 -1.52 0.00 0.00 175.55 174.66 3gfg s GLY 236 N -2.92 0.17 0.38 5.49 0.00 -0.82 -0.43 107.32 109.20 3gfg s GLY 236 Ca 0.13 3.19 0.01 0.00 0.00 0.00 0.00 44.72 48.05 3gfg s GLY 236 CO -0.01 1.84 0.06 0.61 0.00 0.00 0.00 173.10 175.59 3gfg n GLY 237 N 1.68 3.56 0.00 0.20 0.00 -1.26 -1.61 105.19 107.76 3gfg n GLY 237 Ca -0.10 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3gfg n GLY 237 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 238 N -1.35 0.69 -3.35 1.61 7.64 -1.13 -1.96 113.62 115.77 3gfg n SER 238 Ca -0.13 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.43 3gfg n SER 238 Cb 0.47 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 3gfg n SER 238 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gfg n ILE 239 N -0.01 3.10 -3.84 0.44 5.41 -1.23 -0.86 119.36 122.37 3gfg n ILE 239 Ca 0.00 -5.45 -0.30 0.00 1.00 0.00 0.00 62.75 58.00 3gfg n ILE 239 Cb 0.09 -1.86 -0.14 0.00 -0.71 0.00 0.00 39.64 37.02 3gfg n ILE 239 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gfg s VAL 240 N -3.22 1.66 0.38 1.39 1.01 -0.89 -5.00 120.40 115.72 3gfg s VAL 240 Ca 0.42 -2.26 0.06 0.00 0.00 0.00 0.00 61.98 60.19 3gfg s VAL 240 Cb 0.18 -2.21 0.27 0.00 0.00 0.00 0.00 36.38 34.63 3gfg s VAL 240 CO -0.04 -0.73 2.02 -0.65 0.00 0.00 0.00 175.10 175.69 3gfg h PRO 241 N 7.36 0.67 -3.86 2.72 0.11 -1.95 -3.32 132.00 133.73 3gfg h PRO 241 Ca -0.07 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.67 3gfg h PRO 241 Cb 0.97 -0.15 -0.32 0.00 0.11 0.00 0.00 31.00 31.61 3gfg h PRO 241 CO 0.52 0.44 -0.75 0.00 -0.21 0.00 0.00 178.00 178.01 3gfg s ALA 242 N -5.61 0.33 0.23 -0.75 0.00 -1.26 -4.96 121.76 109.75 3gfg s ALA 242 Ca -0.09 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 3gfg s ALA 242 Cb 0.18 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 3gfg s ALA 242 CO 0.75 -0.02 0.80 -0.80 0.00 0.00 0.00 175.76 176.49 3gfg s ASN 243 N 0.67 7.23 0.57 0.00 0.01 -1.26 -5.08 114.94 117.09 3gfg s ASN 243 Ca -0.07 1.59 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 3gfg s ASN 243 Cb -0.10 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3gfg s ASN 243 CO -0.01 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 3gfg n GLY 244 N 0.95 -0.52 3.62 0.66 0.00 -1.26 -4.99 105.19 103.65 3gfg n GLY 244 Ca -0.02 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gfg n PRO 245 N -0.69 1.42 0.03 1.61 -0.04 -1.26 -4.79 135.00 131.28 3gfg n PRO 245 Ca 0.00 0.51 -0.17 0.00 -0.04 0.00 0.00 63.50 63.80 3gfg n PRO 245 Cb 0.00 -2.09 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gfg h ARG 246 N 1.60 0.62 -4.83 0.54 2.43 -0.47 -3.39 114.38 110.87 3gfg h ARG 246 Ca -0.45 -0.60 -0.60 0.00 -0.81 0.00 0.00 59.98 57.51 3gfg h ARG 246 Cb 1.33 0.16 -0.35 0.00 -0.42 0.00 0.00 29.97 30.69 3gfg h ARG 246 CO 0.57 1.21 -0.84 0.71 -1.51 0.00 0.00 179.97 180.11 3gfg s TYR 247 N -3.45 2.13 -0.21 2.20 2.02 -0.80 -0.85 117.35 118.38 3gfg s TYR 247 Ca -0.08 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 55.59 3gfg s TYR 247 Cb 0.08 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3gfg s TYR 247 CO 0.90 -0.52 -0.15 -0.65 -1.57 0.00 0.00 175.55 173.56 3gfg s GLN 248 N 0.99 2.74 -0.13 -0.62 -0.21 -0.10 -1.22 119.66 121.11 3gfg s GLN 248 Ca -0.06 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.32 3gfg s GLN 248 Cb -0.15 -2.73 0.02 0.00 1.00 0.00 0.00 33.01 31.15 3gfg s GLN 248 CO -0.02 -0.35 -0.15 0.42 -2.12 0.00 0.00 175.29 173.07 3gfg s ILE 249 N 1.24 1.56 -0.10 1.08 1.01 0.01 -1.04 121.20 124.96 3gfg s ILE 249 Ca -0.00 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3gfg s ILE 249 Cb -0.16 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3gfg s ILE 249 CO -0.09 0.46 -0.20 -1.00 0.00 0.00 0.00 174.94 174.11 3gfg s HIS 250 N 1.24 2.64 0.00 3.97 3.76 0.59 -1.40 115.29 126.08 3gfg s HIS 250 Ca -0.01 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3gfg s HIS 250 Cb -0.14 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.81 3gfg s HIS 250 CO -0.06 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 173.95 3gfg n GLY 251 N 3.38 6.67 0.20 -2.22 0.00 -0.51 0.50 105.19 113.21 3gfg n GLY 251 Ca -0.18 -1.94 0.12 0.00 0.00 0.00 0.00 46.02 44.01 3gfg n GLY 251 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gfg h LYS 252 N 0.00 0.00 0.00 1.61 2.10 -1.48 -3.35 116.57 115.45 3gfg h LYS 252 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gfg h LYS 252 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3gfg h LYS 252 CO 0.00 0.00 -0.12 -0.40 -2.00 0.00 0.00 179.45 176.93 3gfg n ASP 253 N -3.00 0.00 -3.89 7.07 5.68 -1.26 -5.05 116.55 116.10 3gfg n ASP 253 Ca 0.04 -1.25 -0.09 0.00 -0.50 0.00 0.00 54.79 52.98 3gfg n ASP 253 Cb 0.52 -0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gfg s SER 254 N -0.25 0.12 0.09 -1.12 1.04 -1.26 0.26 113.70 112.58 3gfg s SER 254 Ca 0.00 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3gfg s SER 254 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 3gfg s SER 254 CO 0.00 -0.60 -0.13 -0.44 0.98 0.00 0.00 173.24 173.05 3gfg s SER 255 N -2.37 1.65 -0.09 7.02 0.01 0.08 -1.43 113.70 118.58 3gfg s SER 255 Ca -0.01 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.55 3gfg s SER 255 Cb 0.01 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.23 3gfg s SER 255 CO -0.06 -0.14 -0.06 0.12 0.41 0.00 0.00 173.24 173.51 3gfg s PHE 256 N -1.70 1.15 -0.11 2.43 5.36 -0.50 -0.99 117.98 123.63 3gfg s PHE 256 Ca 0.01 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 3gfg s PHE 256 Cb -0.07 -1.02 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3gfg s PHE 256 CO 0.02 -0.39 -0.18 0.42 -1.46 0.00 0.00 175.22 173.63 3gfg s ILE 257 N 1.56 1.68 -0.07 3.12 1.01 -0.73 -0.81 121.20 126.95 3gfg s ILE 257 Ca 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3gfg s ILE 257 Cb -0.13 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.87 3gfg s ILE 257 CO -0.05 0.48 0.18 -0.75 0.00 0.00 0.00 174.94 174.80 3gfg s LYS 258 N 0.78 0.19 0.38 2.79 2.20 -0.36 -1.04 119.74 124.68 3gfg s LYS 258 Ca -0.10 0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.90 3gfg s LYS 258 Cb -0.16 0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 3gfg s LYS 258 CO 0.01 -0.07 0.38 0.71 -0.36 0.00 0.00 175.35 176.02 3gfg s TYR 259 N 0.49 2.81 0.00 4.03 2.02 -1.26 0.25 117.35 125.70 3gfg s TYR 259 Ca -0.03 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 3gfg s TYR 259 Cb -0.05 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 3gfg s TYR 259 CO -0.02 -0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 3gfg n GLY 260 N -1.53 -3.73 2.95 0.71 0.00 -1.26 -4.77 105.19 97.56 3gfg n GLY 260 Ca 0.02 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 3gfg n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gfg s ILE 261 N -0.91 0.04 0.35 -0.61 1.10 -1.26 -4.73 121.20 115.18 3gfg s ILE 261 Ca 0.00 -0.37 -0.29 0.00 -0.51 0.00 0.00 60.65 59.49 3gfg s ILE 261 Cb 0.00 -0.17 -0.11 0.00 0.15 0.00 0.00 42.46 42.33 3gfg s ILE 261 CO 0.00 -0.20 1.54 -0.67 -2.11 0.00 0.00 174.94 173.50 3gfg n ASP 262 N 2.42 3.89 -1.07 4.50 2.03 -1.26 -4.94 116.55 122.11 3gfg n ASP 262 Ca -0.17 1.20 0.11 0.00 0.52 0.00 0.00 54.79 56.45 3gfg n ASP 262 Cb 0.58 -1.62 0.26 0.00 -0.72 0.00 0.00 41.12 39.62 3gfg n ASP 262 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gfg n GLY 263 N 1.06 1.59 0.34 0.27 0.00 -1.26 -4.58 105.19 102.61 3gfg n GLY 263 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 3gfg n GLY 263 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gfg h GLN 264 N 3.80 1.04 -0.05 1.61 4.20 -1.93 -1.16 115.11 122.62 3gfg h GLN 264 Ca 0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3gfg h GLN 264 Cb 0.85 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3gfg h GLN 264 CO 0.00 0.81 0.01 0.93 -0.67 0.00 0.00 178.83 179.91 3gfg h GLU 265 N 1.03 0.07 -0.95 1.46 5.08 -1.99 0.13 114.58 119.42 3gfg h GLU 265 Ca 0.25 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.68 3gfg h GLU 265 Cb 0.12 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3gfg h GLU 265 CO -0.03 0.28 0.61 -0.44 -1.00 0.00 0.00 179.01 178.43 3gfg h ASP 266 N -0.15 0.92 -0.53 1.42 3.32 -1.77 0.24 116.42 119.88 3gfg h ASP 266 Ca 0.01 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3gfg h ASP 266 Cb 0.24 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3gfg h ASP 266 CO 0.00 0.56 -0.15 0.00 -1.72 0.00 0.00 179.24 177.93 3gfg h ALA 267 N 1.51 0.73 -0.47 3.45 0.00 -1.05 -2.50 119.26 120.93 3gfg h ALA 267 Ca 0.43 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3gfg h ALA 267 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3gfg h ALA 267 CO -0.19 0.67 -0.06 -0.07 0.00 0.00 0.00 179.25 179.60 3gfg h LEU 268 N 0.90 0.81 -1.64 0.00 3.38 0.55 -1.45 115.31 117.87 3gfg h LEU 268 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3gfg h LEU 268 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3gfg h LEU 268 CO 0.06 0.91 -0.14 0.03 0.09 0.00 0.00 178.44 179.39 3gfg h ARG 269 N 0.76 0.05 -0.00 1.13 3.08 -0.42 -2.31 114.38 116.66 3gfg h ARG 269 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3gfg h ARG 269 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3gfg h ARG 269 CO 0.03 0.19 -0.10 0.00 -1.07 0.00 0.00 179.97 179.02 3gfg n ALA 270 N -2.51 2.69 -0.36 0.04 0.00 -0.96 -4.93 120.51 114.49 3gfg n ALA 270 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3gfg n ALA 270 Cb 0.23 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3gfg n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gfg n GLY 271 N 1.35 0.74 3.76 0.00 0.00 -0.87 -5.07 105.19 105.10 3gfg n GLY 271 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3gfg n GLY 271 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gfg s ARG 272 N -0.64 4.46 0.15 1.61 0.52 -0.56 -5.01 118.95 119.48 3gfg s ARG 272 Ca 0.00 1.80 0.09 0.00 -0.52 0.00 0.00 55.73 57.10 3gfg s ARG 272 Cb 0.00 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3gfg s ARG 272 CO 0.00 0.05 -0.14 0.15 0.02 0.00 0.00 175.30 175.38 3gfg s LYS 273 N -1.75 1.92 -0.67 3.54 1.02 -1.26 -4.20 119.74 118.34 3gfg s LYS 273 Ca 0.49 -1.23 -0.26 0.00 0.02 0.00 0.00 55.97 54.99 3gfg s LYS 273 Cb -0.31 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 3gfg s LYS 273 CO 0.40 0.46 1.82 -1.25 -0.92 0.00 0.00 175.35 175.85 3gfg s PRO 274 N -2.49 2.68 -0.00 -1.68 0.04 -1.26 -4.72 135.00 127.56 3gfg s PRO 274 Ca 0.22 0.39 0.06 0.00 0.04 0.00 0.00 61.00 61.70 3gfg s PRO 274 Cb -0.10 -4.48 -0.08 0.00 0.04 0.00 0.00 34.50 29.89 3gfg s PRO 274 CO 0.13 -2.77 0.20 0.39 0.04 0.00 0.00 177.00 174.99 3gfg n GLU 275 N 9.16 3.01 -1.90 4.56 1.02 -1.26 -5.00 120.64 130.23 3gfg n GLU 275 Ca 0.22 -0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 3gfg n GLU 275 Cb 0.51 -0.93 0.01 0.00 -0.02 0.00 0.00 31.44 31.01 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gfg n ASP 276 N -1.38 -0.69 -0.28 1.62 3.85 -1.26 -5.06 116.55 113.35 3gfg n ASP 276 Ca 0.00 -1.51 0.17 0.00 -0.71 0.00 0.00 54.79 52.74 3gfg n ASP 276 Cb 0.12 1.16 0.44 0.00 -1.35 0.00 0.00 41.12 41.49 3gfg n ASP 276 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gfg h ASP 277 N 0.62 0.54 0.39 -1.12 3.32 -2.02 -1.75 116.42 116.40 3gfg h ASP 277 Ca -0.10 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3gfg h ASP 277 Cb 0.38 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3gfg h ASP 277 CO 0.13 0.22 0.00 -1.54 -1.72 0.00 0.00 179.24 176.33 3gfg n SER 278 N -4.58 0.00 -4.72 6.45 3.41 -1.26 -4.80 113.62 108.13 3gfg n SER 278 Ca 0.20 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 3gfg n SER 278 Cb 0.64 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3gfg n SER 278 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3gfg n TRP 279 N -1.40 2.70 -1.20 7.33 -0.00 -0.66 -2.55 117.44 121.67 3gfg n TRP 279 Ca 0.05 0.11 -0.06 0.00 -0.00 0.00 0.00 57.50 57.60 3gfg n TRP 279 Cb 0.14 -2.64 -0.03 0.00 -0.00 0.00 0.00 31.31 28.79 3gfg n TRP 279 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gfg n GLY 280 N 3.57 0.82 3.77 5.87 0.00 -1.26 -4.35 105.19 113.61 3gfg n GLY 280 Ca 0.15 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3gfg n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg s ALA 281 N -2.22 3.02 0.56 4.61 0.00 -1.05 -1.13 121.76 125.54 3gfg s ALA 281 Ca 0.00 0.98 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 3gfg s ALA 281 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3gfg s ALA 281 CO 0.00 -0.68 0.90 0.34 0.00 0.00 0.00 175.76 176.32 3gfg s ASP 282 N -1.25 6.00 -0.27 0.00 -1.08 -1.26 -4.80 116.67 114.00 3gfg s ASP 282 Ca 0.62 1.01 -0.22 0.00 -0.52 0.00 0.00 52.55 53.44 3gfg s ASP 282 Cb -0.30 -2.13 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 3gfg s ASP 282 CO 0.37 -0.85 0.71 -0.69 0.52 0.00 0.00 175.17 175.23 3gfg s VAL 283 N -2.97 4.90 0.31 1.11 1.01 -1.26 -4.96 120.40 118.54 3gfg s VAL 283 Ca 0.52 1.18 0.08 0.00 0.00 0.00 0.00 61.98 63.77 3gfg s VAL 283 Cb -0.11 -4.03 0.38 0.00 0.00 0.00 0.00 36.38 32.62 3gfg s VAL 283 CO 0.48 -0.09 1.49 -2.65 0.00 0.00 0.00 175.10 174.33 3gfg n PRO 284 N 5.91 -0.07 0.00 2.72 -0.02 -1.26 0.12 135.00 142.41 3gfg n PRO 284 Ca 0.02 1.38 0.04 0.00 -2.02 0.00 0.00 63.50 62.92 3gfg n PRO 284 Cb 0.48 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 31.88 3gfg n PRO 284 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3gfg n GLU 285 N -5.31 0.09 -0.07 -0.52 0.00 -1.26 -1.50 120.64 112.07 3gfg n GLU 285 Ca 0.27 0.25 0.04 0.00 0.00 0.00 0.00 57.16 57.72 3gfg n GLU 285 Cb 0.91 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.93 3gfg n GLU 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3gfg n PHE 286 N -1.35 0.19 -1.71 -1.84 3.72 0.33 -4.98 117.46 111.81 3gfg n PHE 286 Ca 0.03 -0.28 -0.39 0.00 -0.05 0.00 0.00 57.45 56.76 3gfg n PHE 286 Cb 0.08 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3gfg n PHE 286 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gfg n TYR 287 N 0.32 2.04 -2.18 1.38 4.01 -0.56 -4.26 117.16 117.91 3gfg n TYR 287 Ca 0.07 0.45 -0.35 0.00 -0.16 0.00 0.00 57.90 57.91 3gfg n TYR 287 Cb 0.30 -2.34 0.01 0.00 -0.31 0.00 0.00 39.34 37.00 3gfg n TYR 287 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gfg s GLY 288 N -0.85 2.60 -0.27 2.72 0.00 -1.23 -4.72 107.32 105.58 3gfg s GLY 288 Ca 0.69 0.82 -0.08 0.00 0.00 0.00 0.00 44.72 46.15 3gfg s GLY 288 CO 0.51 1.18 0.10 0.54 0.00 0.00 0.00 173.10 175.43 3gfg s LYS 289 N -3.37 3.58 -0.35 2.90 1.02 -0.21 -0.65 119.74 122.66 3gfg s LYS 289 Ca 0.73 -0.54 -0.15 0.00 0.02 0.00 0.00 55.97 56.02 3gfg s LYS 289 Cb -0.24 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 3gfg s LYS 289 CO 0.29 -0.25 0.37 -1.17 -0.92 0.00 0.00 175.35 173.67 3gfg s LEU 290 N 1.62 4.49 -0.18 3.17 2.96 0.71 -1.77 118.68 129.68 3gfg s LEU 290 Ca 0.06 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3gfg s LEU 290 Cb -0.16 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3gfg s LEU 290 CO 0.05 -0.37 0.10 -0.89 -1.32 0.00 0.00 176.35 173.92 3gfg s THR 291 N 2.03 5.13 -0.05 3.68 2.01 -0.16 -0.73 115.64 127.55 3gfg s THR 291 Ca 0.12 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.25 3gfg s THR 291 Cb -0.17 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.03 3gfg s THR 291 CO 0.12 0.48 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.46 3gfg s THR 292 N 0.11 1.52 -0.17 -0.82 2.01 -0.26 -0.74 115.64 117.29 3gfg s THR 292 Ca 0.07 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 3gfg s THR 292 Cb -0.12 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3gfg s THR 292 CO -0.00 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.64 3gfg s ILE 293 N 0.05 3.17 -0.31 1.82 1.01 0.14 -1.13 121.20 125.95 3gfg s ILE 293 Ca -0.05 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3gfg s ILE 293 Cb -0.12 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.06 3gfg s ILE 293 CO 0.03 0.48 0.04 -0.13 0.00 0.00 0.00 174.94 175.36 3gfg s ARG 294 N 0.87 1.26 3.90 2.79 3.00 0.95 -4.80 118.95 126.93 3gfg s ARG 294 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 55.73 54.27 3gfg s ARG 294 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 34.95 32.13 3gfg s ARG 294 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.30 174.83 3gfg n GLY 295 N 4.53 0.75 0.09 -3.53 0.00 -1.26 -0.89 105.19 104.88 3gfg n GLY 295 Ca -0.01 0.60 0.06 0.00 0.00 0.00 0.00 46.02 46.67 3gfg n GLY 295 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 296 N 8.41 0.63 -4.65 1.61 7.64 -1.26 -4.89 113.62 121.11 3gfg n SER 296 Ca 0.00 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.71 3gfg n SER 296 Cb 0.00 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 3gfg n SER 296 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3gfg s ASP 297 N -5.34 6.90 -0.25 6.43 1.11 -0.07 -5.01 116.67 120.44 3gfg s ASP 297 Ca -0.03 1.45 -0.07 0.00 0.18 0.00 0.00 52.55 54.07 3gfg s ASP 297 Cb 0.10 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 3gfg s ASP 297 CO 0.82 -0.84 0.06 -0.75 1.18 0.00 0.00 175.17 175.64 3gfg s LYS 298 N 3.63 3.62 0.03 8.23 2.20 -1.26 -0.03 119.74 136.16 3gfg s LYS 298 Ca 0.52 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.69 3gfg s LYS 298 Cb -0.18 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3gfg s LYS 298 CO 0.15 -0.19 -0.16 0.21 -0.36 0.00 0.00 175.35 175.01 3gfg s LYS 299 N 1.59 1.08 0.00 4.03 2.20 -0.29 -4.99 119.74 123.38 3gfg s LYS 299 Ca 0.06 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 3gfg s LYS 299 Cb -0.15 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 3gfg s LYS 299 CO 0.03 0.28 -0.20 0.99 -0.36 0.00 0.00 175.35 176.09 3gfg s THR 300 N -0.75 1.60 -0.01 3.43 2.01 -1.26 -1.10 115.64 119.56 3gfg s THR 300 Ca 0.04 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3gfg s THR 300 Cb -0.08 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.09 3gfg s THR 300 CO 0.01 0.37 -0.00 -0.70 -0.69 0.00 0.00 174.62 173.60 3gfg s GLU 301 N -0.70 0.08 -0.20 4.92 2.12 0.09 -4.99 118.70 120.03 3gfg s GLU 301 Ca 0.08 0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.27 3gfg s GLU 301 Cb -0.08 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 3gfg s GLU 301 CO 0.00 -0.03 0.33 0.99 -0.54 0.00 0.00 175.26 176.01 3gfg s THR 302 N 0.27 5.25 -0.33 -1.70 2.01 -1.26 -0.21 115.64 119.67 3gfg s THR 302 Ca -0.02 0.57 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 3gfg s THR 302 Cb -0.04 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3gfg s THR 302 CO -0.01 0.30 0.30 -0.63 -0.69 0.00 0.00 174.62 173.89 3gfg s ILE 303 N 1.09 5.23 0.23 1.82 -1.09 0.18 -4.97 121.20 123.69 3gfg s ILE 303 Ca 0.16 -0.01 -0.31 0.00 -2.23 0.00 0.00 60.65 58.27 3gfg s ILE 303 Cb -0.14 -3.74 -0.11 0.00 -1.58 0.00 0.00 42.46 36.89 3gfg s ILE 303 CO 0.06 -0.01 1.57 -2.84 -1.23 0.00 0.00 174.94 172.49 3gfg s PRO 304 N 1.88 4.18 0.28 2.79 0.02 -1.26 -3.50 135.00 139.40 3gfg s PRO 304 Ca 0.09 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.27 3gfg s PRO 304 Cb -0.17 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 3gfg s PRO 304 CO 0.11 -0.59 1.17 -1.12 -0.33 0.00 0.00 177.00 176.24 3gfg s SER 305 N 0.75 7.10 0.36 2.53 0.01 -1.26 -5.01 113.70 118.18 3gfg s SER 305 Ca 0.66 2.39 -0.28 0.00 1.31 0.00 0.00 55.95 60.03 3gfg s SER 305 Cb -0.46 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.04 3gfg s SER 305 CO 0.40 -0.29 1.39 -0.69 0.41 0.00 0.00 173.24 174.45 3gfg s VAL 306 N -0.99 2.41 0.42 3.43 1.01 -1.26 -4.68 120.40 120.74 3gfg s VAL 306 Ca 0.47 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 3gfg s VAL 306 Cb -0.34 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3gfg s VAL 306 CO 0.44 0.09 1.43 0.59 0.00 0.00 0.00 175.10 177.65 3gfg n ASN 307 N 0.59 3.38 -4.79 3.32 4.13 -1.26 -4.35 115.26 116.28 3gfg n ASN 307 Ca 0.01 1.15 -0.33 0.00 1.68 0.00 0.00 54.58 57.09 3gfg n ASN 307 Cb 0.41 -1.60 0.01 0.00 -1.54 0.00 0.00 39.78 37.06 3gfg n ASN 307 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gfg s GLY 308 N -0.37 2.31 -0.45 7.41 0.00 -0.29 -4.64 107.32 111.30 3gfg s GLY 308 Ca 0.59 0.56 0.07 0.00 0.00 0.00 0.00 44.72 45.94 3gfg s GLY 308 CO 0.60 0.90 0.89 -1.26 0.00 0.00 0.00 173.10 174.22 3gfg n SER 309 N -1.78 -1.73 -0.06 1.64 2.88 -0.33 -4.34 113.62 109.90 3gfg n SER 309 Ca 0.10 -3.31 0.19 0.00 -1.33 0.00 0.00 58.87 54.52 3gfg n SER 309 Cb 0.52 1.15 0.63 0.00 -0.75 0.00 0.00 64.21 65.76 3gfg n SER 309 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3gfg h TYR 310 N 3.52 0.16 -0.93 0.66 0.05 -1.90 -1.19 116.97 117.33 3gfg h TYR 310 Ca -0.06 0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.93 3gfg h TYR 310 Cb 1.02 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.64 3gfg h TYR 310 CO 0.24 0.06 0.61 -0.07 -1.05 0.00 0.00 178.16 177.95 3gfg h LEU 311 N 0.14 0.45 -1.09 3.88 3.38 -1.96 -0.52 115.31 119.59 3gfg h LEU 311 Ca 0.30 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.40 3gfg h LEU 311 Cb 0.98 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 3gfg h LEU 311 CO -0.04 0.17 0.61 0.74 0.09 0.00 0.00 178.44 180.01 3gfg h THR 312 N 0.44 1.03 -0.61 0.22 2.02 -1.64 -0.77 112.91 113.61 3gfg h THR 312 Ca 0.49 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.41 3gfg h THR 312 Cb 1.18 -0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 3gfg h THR 312 CO -0.21 0.19 0.21 0.22 0.37 0.00 0.00 175.52 176.31 3gfg h TYR 313 N 1.05 0.36 0.08 3.16 3.20 -1.26 -1.36 116.97 122.20 3gfg h TYR 313 Ca 0.43 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 62.08 3gfg h TYR 313 Cb 0.27 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3gfg h TYR 313 CO -0.00 0.07 -1.12 1.88 -1.64 0.00 0.00 178.16 177.35 3gfg h TYR 314 N 0.38 0.38 -0.57 -3.82 0.05 -1.30 -2.28 116.97 109.81 3gfg h TYR 314 Ca 0.31 -0.26 0.05 0.00 0.05 0.00 0.00 58.73 58.88 3gfg h TYR 314 Cb 0.40 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.07 3gfg h TYR 314 CO -0.18 1.17 0.30 0.00 -1.05 0.00 0.00 178.16 178.40 3gfg h ARG 315 N 0.08 0.56 -0.67 4.88 3.08 -0.98 -1.74 114.38 119.59 3gfg h ARG 315 Ca -0.09 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3gfg h ARG 315 Cb 1.83 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 3gfg h ARG 315 CO 0.18 0.37 0.20 0.87 -1.07 0.00 0.00 179.97 180.52 3gfg h LYS 316 N 0.58 1.04 -0.95 0.04 1.57 -1.21 -1.86 116.57 115.78 3gfg h LYS 316 Ca 0.25 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3gfg h LYS 316 Cb 0.15 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3gfg h LYS 316 CO -0.17 0.91 0.62 0.82 -0.57 0.00 0.00 179.45 181.06 3gfg h ILE 317 N 0.98 1.08 -0.36 1.86 1.08 -1.18 -0.34 117.51 120.62 3gfg h ILE 317 Ca 0.21 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3gfg h ILE 317 Cb 0.31 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 3gfg h ILE 317 CO -0.01 0.20 0.11 0.00 -0.69 0.00 0.00 178.15 177.77 3gfg h ALA 318 N 1.48 0.47 -0.94 1.87 0.00 -0.68 -1.99 119.26 119.47 3gfg h ALA 318 Ca 0.41 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3gfg h ALA 318 Cb 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3gfg h ALA 318 CO -0.16 0.10 0.62 0.93 0.00 0.00 0.00 179.25 180.75 3gfg h GLU 319 N 0.42 1.23 -0.84 0.00 5.08 -0.84 0.77 114.58 120.41 3gfg h GLU 319 Ca 0.12 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 319 Cb 0.25 -0.28 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3gfg h GLU 319 CO -0.00 0.82 0.54 0.77 -1.00 0.00 0.00 179.01 180.14 3gfg h SER 320 N 1.27 0.92 -0.07 1.42 0.02 -0.72 0.35 113.55 116.75 3gfg h SER 320 Ca 0.35 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 61.05 3gfg h SER 320 Cb -0.14 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.20 3gfg h SER 320 CO -0.08 0.65 -0.86 0.40 -1.14 0.00 0.00 176.83 175.80 3gfg h ILE 321 N 1.08 1.30 0.00 3.27 2.04 -0.65 -2.45 117.51 122.10 3gfg h ILE 321 Ca 0.32 -2.09 -0.30 0.00 1.00 0.00 0.00 64.86 63.79 3gfg h ILE 321 Cb -0.05 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 3gfg h ILE 321 CO -0.09 0.65 -2.02 0.54 0.00 0.00 0.00 178.15 177.23 3gfg n ARG 322 N -3.95 0.66 0.00 2.37 5.12 0.20 -4.52 116.66 116.54 3gfg n ARG 322 Ca -0.09 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3gfg n ARG 322 Cb 0.79 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gfg n GLU 323 N -2.85 0.80 -1.20 5.56 -0.58 0.12 -5.01 120.64 117.47 3gfg n GLU 323 Ca -0.23 -0.77 -0.07 0.00 -0.42 0.00 0.00 57.16 55.67 3gfg n GLU 323 Cb 1.06 -0.80 -0.03 0.00 -0.57 0.00 0.00 31.44 31.10 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gfg n GLY 324 N -0.18 0.91 3.73 0.62 0.00 -0.89 -4.94 105.19 104.45 3gfg n GLY 324 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3gfg n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg s ALA 325 N -2.19 2.22 0.31 4.61 0.00 -1.08 -4.89 121.76 120.75 3gfg s ALA 325 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3gfg s ALA 325 Cb 0.00 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 3gfg s ALA 325 CO 0.00 -1.70 1.56 0.00 0.00 0.00 0.00 175.76 175.62 3gfg s ALA 326 N -2.00 3.69 0.43 0.00 0.00 -1.26 -4.01 121.76 118.62 3gfg s ALA 326 Ca 0.73 1.56 -0.26 0.00 0.00 0.00 0.00 51.96 53.99 3gfg s ALA 326 Cb -0.28 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 3gfg s ALA 326 CO 0.43 -0.99 1.43 -0.51 0.00 0.00 0.00 175.76 176.13 3gfg s LEU 327 N -0.93 4.16 0.42 0.00 1.43 -1.26 -4.77 118.68 117.74 3gfg s LEU 327 Ca 0.60 2.93 0.13 0.00 -1.03 0.00 0.00 54.13 56.76 3gfg s LEU 327 Cb -0.47 -3.88 0.90 0.00 0.03 0.00 0.00 46.19 42.77 3gfg s LEU 327 CO 0.52 -1.10 1.94 1.55 0.23 0.00 0.00 176.35 179.49 3gfg h PRO 328 N 2.48 0.05 -3.34 1.29 0.13 -1.89 -3.40 132.00 127.33 3gfg h PRO 328 Ca -0.51 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.29 3gfg h PRO 328 Cb 1.26 -0.01 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 3gfg h PRO 328 CO 0.62 0.26 -0.71 0.08 -0.23 0.00 0.00 178.00 178.02 3gfg s VAL 329 N -4.57 -0.11 0.36 1.56 1.01 -1.26 -5.10 120.40 112.29 3gfg s VAL 329 Ca -0.04 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3gfg s VAL 329 Cb 0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 36.31 3gfg s VAL 329 CO 0.71 0.14 0.73 0.42 0.00 0.00 0.00 175.10 177.09 3gfg s THR 330 N 1.74 4.80 0.17 3.92 -4.23 -1.26 -4.08 115.64 116.70 3gfg s THR 330 Ca -0.01 0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 60.83 3gfg s THR 330 Cb -0.12 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 3gfg s THR 330 CO -0.04 -0.40 1.54 0.00 -0.54 0.00 0.00 174.62 175.18 3gfg h ALA 331 N 1.59 -0.40 -0.87 3.99 0.00 -1.94 -1.97 119.26 119.66 3gfg h ALA 331 Ca -0.47 0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.79 3gfg h ALA 331 Cb 1.18 1.28 -0.06 0.00 0.00 0.00 0.00 17.79 20.20 3gfg h ALA 331 CO 0.65 -0.90 0.58 1.49 0.00 0.00 0.00 179.25 181.07 3gfg h GLU 332 N -0.02 0.32 -0.27 0.00 4.57 -1.94 -0.04 114.58 117.19 3gfg h GLU 332 Ca 0.20 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3gfg h GLU 332 Cb 0.46 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3gfg h GLU 332 CO -0.93 0.21 -0.05 0.93 -1.18 0.00 0.00 179.01 177.99 3gfg h GLU 333 N 0.33 0.51 -0.42 1.92 5.08 -1.76 -1.61 114.58 118.63 3gfg h GLU 333 Ca 0.44 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3gfg h GLU 333 Cb 1.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3gfg h GLU 333 CO -0.14 0.71 0.17 0.78 -1.00 0.00 0.00 179.01 179.53 3gfg h GLY 334 N 0.26 0.55 0.78 -3.84 0.00 -0.64 -1.95 103.07 98.24 3gfg h GLY 334 Ca 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3gfg h GLY 334 CO 0.02 0.05 0.09 -2.22 0.00 0.00 0.00 176.54 174.49 3gfg h ILE 335 N 0.35 0.93 -0.72 2.60 2.04 -1.24 -2.56 117.51 118.91 3gfg h ILE 335 Ca 0.19 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 66.11 3gfg h ILE 335 Cb 0.15 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 3gfg h ILE 335 CO -0.17 0.04 0.26 0.78 0.00 0.00 0.00 178.15 179.05 3gfg h ASN 336 N 0.21 0.21 -0.84 1.72 2.35 -0.71 0.10 115.58 118.62 3gfg h ASN 336 Ca 0.12 0.11 0.08 0.00 -0.55 0.00 0.00 56.30 56.06 3gfg h ASN 336 Cb 0.09 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 3gfg h ASN 336 CO -0.12 0.08 0.49 0.58 -1.65 0.00 0.00 177.43 176.81 3gfg h VAL 337 N 0.40 0.95 -0.51 2.81 2.07 -0.98 -2.14 116.25 118.85 3gfg h VAL 337 Ca 0.39 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 3gfg h VAL 337 Cb 0.59 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3gfg h VAL 337 CO -0.41 0.15 -0.07 0.40 0.02 0.00 0.00 177.57 177.67 3gfg h ILE 338 N 0.85 1.27 -1.00 4.57 1.08 -0.59 -2.16 117.51 121.53 3gfg h ILE 338 Ca 0.39 -1.20 0.11 0.00 -0.39 0.00 0.00 64.86 63.77 3gfg h ILE 338 Cb 0.31 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.97 3gfg h ILE 338 CO -0.22 0.42 0.63 0.03 -0.69 0.00 0.00 178.15 178.32 3gfg h ARG 339 N 0.82 0.98 0.29 2.37 3.08 -0.72 0.30 114.38 121.50 3gfg h ARG 339 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3gfg h ARG 339 Cb 0.62 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gfg h ARG 339 CO 0.04 0.65 -0.14 0.82 -1.07 0.00 0.00 179.97 180.27 3gfg h ILE 340 N 1.01 0.75 -0.49 2.04 1.08 -1.06 -1.21 117.51 119.63 3gfg h ILE 340 Ca 0.49 -0.48 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 3gfg h ILE 340 Cb 0.45 1.01 -0.10 0.00 -3.07 0.00 0.00 36.82 35.11 3gfg h ILE 340 CO -0.25 0.10 -0.25 0.40 -0.69 0.00 0.00 178.15 177.45 3gfg h ILE 341 N -0.65 0.30 -0.45 -0.67 2.04 -1.10 0.61 117.51 117.59 3gfg h ILE 341 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 3gfg h ILE 341 Cb 0.46 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3gfg h ILE 341 CO 0.06 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.14 3gfg h GLU 342 N -0.14 0.49 -0.43 2.37 5.08 -0.36 -0.61 114.58 120.98 3gfg h GLU 342 Ca 0.22 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3gfg h GLU 342 Cb 0.49 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gfg h GLU 342 CO -0.57 0.33 0.14 0.00 -1.00 0.00 0.00 179.01 177.90 3gfg h ALA 343 N 1.21 1.43 -0.70 3.43 0.00 -0.79 -0.64 119.26 123.21 3gfg h ALA 343 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3gfg h ALA 343 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gfg h ALA 343 CO -0.10 0.42 0.16 0.00 0.00 0.00 0.00 179.25 179.73 3gfg h ALA 344 N 1.54 0.95 -0.13 0.00 0.00 0.13 0.16 119.26 121.91 3gfg h ALA 344 Ca 0.15 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3gfg h ALA 344 Cb 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gfg h ALA 344 CO -0.01 0.67 -0.82 0.52 0.00 0.00 0.00 179.25 179.61 3gfg h MET 345 N 1.07 0.76 -0.50 0.00 2.07 -0.39 -0.82 114.93 117.12 3gfg h MET 345 Ca 0.22 -0.65 -0.04 0.00 -2.07 0.00 0.00 59.70 57.16 3gfg h MET 345 Cb 0.39 0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 3gfg h MET 345 CO 0.00 1.25 0.18 1.49 1.07 0.00 0.00 176.91 180.91 3gfg h GLU 346 N 0.51 0.77 -0.02 1.72 4.57 -1.06 -1.13 114.58 119.94 3gfg h GLU 346 Ca -0.06 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3gfg h GLU 346 Cb 1.45 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 3gfg h GLU 346 CO 0.17 0.70 -0.15 1.03 -1.18 0.00 0.00 179.01 179.58 3gfg h SER 347 N 0.68 -0.43 -0.49 1.04 0.87 -0.56 0.21 113.55 114.88 3gfg h SER 347 Ca 0.17 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 3gfg h SER 347 Cb 0.24 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3gfg h SER 347 CO -0.01 -0.20 0.08 -1.28 -0.53 0.00 0.00 176.83 174.89 3gfg h SER 348 N -0.24 0.82 -0.24 6.23 0.87 -1.09 0.14 113.55 120.04 3gfg h SER 348 Ca 0.06 -0.18 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 3gfg h SER 348 Cb 0.31 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3gfg h SER 348 CO -0.16 0.84 -0.62 0.50 -0.53 0.00 0.00 176.83 176.86 3gfg h LYS 349 N 0.82 0.85 0.00 2.24 3.64 -0.91 -3.20 116.57 120.01 3gfg h LYS 349 Ca 0.17 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3gfg h LYS 349 Cb 0.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gfg h LYS 349 CO 0.01 1.22 -0.55 0.39 -2.27 0.00 0.00 179.45 178.25 3gfg n GLU 350 N -3.99 0.05 -3.57 1.90 -0.58 0.72 -4.96 120.64 110.20 3gfg n GLU 350 Ca -0.05 0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.47 3gfg n GLU 350 Cb 0.67 -1.52 0.08 0.00 -0.57 0.00 0.00 31.44 30.09 3gfg n GLU 350 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gfg n LYS 351 N -1.59 -7.59 -3.78 3.49 4.76 0.45 -5.02 118.16 108.88 3gfg n LYS 351 Ca 0.05 0.82 -0.10 0.00 -2.87 0.00 0.00 58.31 56.22 3gfg n LYS 351 Cb 0.35 -5.87 -0.05 0.00 -1.84 0.00 0.00 35.03 27.63 3gfg n LYS 351 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3gfg s ARG 352 N -6.11 1.22 0.19 1.97 1.70 -0.93 -5.05 118.95 111.94 3gfg s ARG 352 Ca 0.46 -0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 3gfg s ARG 352 Cb -0.20 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 3gfg s ARG 352 CO 0.73 -0.49 1.39 0.99 -1.08 0.00 0.00 175.30 176.85 3gfg s THR 353 N -3.88 3.01 -0.24 4.99 2.01 -1.26 -4.41 115.64 115.86 3gfg s THR 353 Ca 0.10 0.79 -0.06 0.00 0.31 0.00 0.00 61.69 62.83 3gfg s THR 353 Cb 0.01 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3gfg s THR 353 CO -0.05 0.10 0.04 -0.63 -0.69 0.00 0.00 174.62 173.39 3gfg s ILE 354 N 0.44 4.09 -0.05 1.82 -1.09 -0.25 -4.96 121.20 121.20 3gfg s ILE 354 Ca 0.61 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 3gfg s ILE 354 Cb -0.39 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3gfg s ILE 354 CO 0.37 0.37 1.43 -0.32 -1.23 0.00 0.00 174.94 175.55 3gfg s MET 355 N 1.51 4.25 0.02 2.79 1.75 -1.26 -1.84 119.30 126.52 3gfg s MET 355 Ca 0.06 1.95 -0.29 0.00 -1.25 0.00 0.00 55.69 56.15 3gfg s MET 355 Cb -0.15 -3.71 -0.04 0.00 2.84 0.00 0.00 34.83 33.77 3gfg s MET 355 CO 0.02 -0.67 0.95 -0.51 -0.65 0.00 0.00 175.02 174.16 3gfg s LEU 356 N 3.02 4.40 0.00 4.11 1.43 0.26 -4.96 118.68 126.94 3gfg s LEU 356 Ca 0.64 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3gfg s LEU 356 Cb -0.30 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3gfg s LEU 356 CO 0.25 -0.20 0.43 -0.62 0.23 0.00 0.00 176.35 176.44