#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s ARG 9 N 0.00 1.54 0.22 5.56 3.00 -1.26 -5.13 118.95 122.88 3gfg s ARG 9 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 55.73 53.69 3gfg s ARG 9 Cb 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 34.95 35.13 3gfg s ARG 9 CO 0.00 -0.57 0.99 1.17 0.00 0.00 0.00 175.30 176.90 3gfg n LYS 10 N -0.45 1.04 -2.91 3.54 4.81 -1.26 -4.92 118.16 118.01 3gfg n LYS 10 Ca 0.03 0.37 -0.43 0.00 -0.87 0.00 0.00 58.31 57.41 3gfg n LYS 10 Cb 0.64 -1.73 -0.05 0.00 0.02 0.00 0.00 35.03 33.91 3gfg n LYS 10 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gfg s VAL 11 N -0.69 4.52 0.35 3.15 1.01 -1.26 -5.04 120.40 122.45 3gfg s VAL 11 Ca 0.66 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.95 3gfg s VAL 11 Cb -0.81 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.09 3gfg s VAL 11 CO 0.56 -0.96 0.26 -1.81 0.00 0.00 0.00 175.10 173.15 3gfg s ASP 12 N 2.62 5.07 0.36 3.32 1.01 -1.26 -5.10 116.67 122.68 3gfg s ASP 12 Ca 0.29 -0.62 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 3gfg s ASP 12 Cb -0.13 -0.84 -0.12 0.00 1.01 0.00 0.00 42.92 42.84 3gfg s ASP 12 CO 0.19 -0.38 1.36 0.35 0.21 0.00 0.00 175.17 176.90 3gfg n THR 13 N -1.33 2.03 -2.30 -1.27 -2.24 -1.26 -4.94 114.28 102.96 3gfg n THR 13 Ca -0.01 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 3gfg n THR 13 Cb 0.61 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 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 -1.11 4.00 -0.28 2.28 1.01 0.15 -4.74 121.20 122.52 3gfg s ILE 14 Ca 0.55 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 3gfg s ILE 14 Cb -0.53 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3gfg s ILE 14 CO 0.63 -0.06 0.89 -0.54 0.00 0.00 0.00 174.94 175.85 3gfg s LYS 15 N 3.05 4.10 -0.07 2.79 -0.14 -1.26 -1.03 119.74 127.18 3gfg s LYS 15 Ca 0.61 0.90 0.01 0.00 -1.36 0.00 0.00 55.97 56.12 3gfg s LYS 15 Cb -0.27 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 3gfg s LYS 15 CO 0.22 -0.65 -0.07 0.08 -0.76 0.00 0.00 175.35 174.16 3gfg s VAL 16 N 3.07 3.69 -0.21 3.17 1.01 -0.26 -0.43 120.40 130.44 3gfg s VAL 16 Ca 0.37 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3gfg s VAL 16 Cb -0.14 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3gfg s VAL 16 CO 0.10 0.60 -0.11 -0.83 0.00 0.00 0.00 175.10 174.86 3gfg s GLY 17 N -0.79 1.52 -0.22 4.51 0.00 0.14 -1.73 107.32 110.76 3gfg s GLY 17 Ca 0.12 -1.23 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 3gfg s GLY 17 CO 0.01 0.38 0.42 -0.42 0.00 0.00 0.00 173.10 173.49 3gfg s ILE 18 N 1.38 5.17 -0.31 0.90 1.01 -0.59 -0.37 121.20 128.39 3gfg s ILE 18 Ca 0.05 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.26 3gfg s ILE 18 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3gfg s ILE 18 CO -0.07 0.22 0.47 -0.76 0.00 0.00 0.00 174.94 174.79 3gfg s LEU 19 N 1.54 4.22 0.00 2.97 1.43 0.11 -1.34 118.68 127.61 3gfg s LEU 19 Ca 0.19 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3gfg s LEU 19 Cb -0.15 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3gfg s LEU 19 CO 0.08 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3gfg n GLY 20 N 4.70 -1.16 2.75 -3.19 0.00 -0.57 -0.97 105.19 106.75 3gfg n GLY 20 Ca -0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 0.21 1.40 -0.03 1.61 9.36 -1.26 -4.42 117.16 124.02 3gfg n TYR 21 Ca 0.00 -2.21 0.00 0.00 3.32 0.00 0.00 57.90 59.01 3gfg n TYR 21 Cb 0.00 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.46 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 -0.56 1.05 0.22 2.98 0.00 -1.26 -4.41 105.19 103.21 3gfg n GLY 22 Ca 0.11 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.49 -0.66 0.99 5.85 -1.96 -1.20 115.31 117.84 3gfg h LEU 23 Ca 0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3gfg h LEU 23 Cb 0.00 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3gfg h LEU 23 CO 0.00 -0.26 0.33 0.28 -0.34 0.00 0.00 178.44 178.45 3gfg h SER 24 N -0.36 0.85 -0.07 1.25 0.02 -1.93 -1.31 113.55 112.01 3gfg h SER 24 Ca 0.02 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3gfg h SER 24 Cb 0.36 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3gfg h SER 24 CO -0.08 0.73 -0.02 1.23 -1.14 0.00 0.00 176.83 177.55 3gfg h GLY 25 N 0.91 0.14 1.25 -3.77 0.00 -1.75 -0.69 103.07 99.17 3gfg h GLY 25 Ca 0.23 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 3gfg h GLY 25 CO -0.03 0.11 -1.02 1.48 0.00 0.00 0.00 176.54 177.07 3gfg h SER 26 N -0.21 0.00 0.00 0.19 4.64 -1.19 0.32 113.55 117.30 3gfg h SER 26 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 3gfg h SER 26 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3gfg h SER 26 CO 0.01 0.35 -1.44 0.52 -0.87 0.00 0.00 176.83 175.39 3gfg n VAL 27 N -2.91 0.45 0.01 0.95 0.31 -0.50 -4.39 118.33 112.25 3gfg n VAL 27 Ca -0.04 -0.16 -0.02 0.00 -0.01 0.00 0.00 64.34 64.11 3gfg n VAL 27 Cb 0.71 -0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.87 0.85 -0.05 3.52 3.72 -0.88 -4.47 117.46 117.27 3gfg n PHE 28 Ca -0.14 0.29 -0.11 0.00 -0.05 0.00 0.00 57.45 57.44 3gfg n PHE 28 Cb 0.64 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.07 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 -2.88 0.00 -0.30 1.38 8.25 -0.32 -4.63 115.22 116.74 3gfg n HIS 29 Ca -0.13 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 3gfg n HIS 29 Cb 0.90 -0.36 0.15 0.00 1.12 0.00 0.00 29.99 31.79 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 -0.36 1.26 2.00 -1.41 0.00 -1.15 -1.05 103.07 102.35 3gfg h GLY 30 Ca -0.26 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 3gfg h GLY 30 CO -0.16 0.21 -0.31 -2.55 0.00 0.00 0.00 176.54 173.73 3gfg h PRO 31 N 0.88 0.00 0.07 4.80 0.11 -1.78 0.71 132.00 136.79 3gfg h PRO 31 Ca 0.38 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.35 3gfg h PRO 31 Cb 0.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.36 3gfg h PRO 31 CO -0.20 0.31 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.26 3gfg h LEU 32 N 0.00 0.38 -1.30 2.35 3.38 -1.74 -3.21 115.31 115.17 3gfg h LEU 32 Ca -0.00 -0.89 0.08 0.00 0.09 0.00 0.00 57.88 57.15 3gfg h LEU 32 Cb 0.89 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3gfg h LEU 32 CO 0.04 1.24 0.53 -0.07 0.09 0.00 0.00 178.44 180.27 3gfg h LEU 33 N -0.42 0.72 -1.66 1.67 3.38 -1.08 -2.65 115.31 115.28 3gfg h LEU 33 Ca -0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gfg h LEU 33 Cb 1.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3gfg h LEU 33 CO 0.11 0.45 0.13 -0.78 0.09 0.00 0.00 178.44 178.44 3gfg h ASP 34 N 0.81 0.32 1.18 -0.43 3.58 -0.87 -3.03 116.42 117.97 3gfg h ASP 34 Ca 0.36 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.79 3gfg h ASP 34 Cb 0.34 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.31 3gfg h ASP 34 CO -0.13 0.27 -0.43 -0.37 -2.88 0.00 0.00 179.24 175.69 3gfg h VAL 35 N 0.36 0.00 -3.72 2.25 -1.51 -1.47 -3.46 116.25 108.70 3gfg h VAL 35 Ca 0.09 -0.61 -0.63 0.00 -1.23 0.00 0.00 66.70 64.33 3gfg h VAL 35 Cb 0.03 1.34 -0.15 0.00 -2.13 0.00 0.00 31.29 30.38 3gfg h VAL 35 CO -0.01 0.00 -0.37 -0.76 -1.23 0.00 0.00 177.57 175.19 3gfg s LEU 36 N -4.69 4.06 0.63 4.19 1.43 -1.15 -4.96 118.68 118.20 3gfg s LEU 36 Ca 0.07 0.19 0.42 0.00 -1.03 0.00 0.00 54.13 53.77 3gfg s LEU 36 Cb 0.12 -2.28 2.21 0.00 0.03 0.00 0.00 46.19 46.26 3gfg s LEU 36 CO 0.69 -0.08 2.27 0.44 0.23 0.00 0.00 176.35 179.90 3gfg h ASP 37 N 8.01 0.00 0.57 2.29 3.45 -1.89 -2.29 116.42 126.56 3gfg h ASP 37 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3gfg h ASP 37 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3gfg h ASP 37 CO 0.63 0.00 0.00 -0.33 -1.57 0.00 0.00 179.24 177.97 3gfg h GLU 38 N 0.00 0.00 -6.50 3.56 3.07 -1.92 -3.44 114.58 109.34 3gfg h GLU 38 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 3gfg h GLU 38 Cb 0.07 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 27.72 3gfg h GLU 38 CO 0.00 0.00 -0.87 0.71 -1.40 0.00 0.00 179.01 177.45 3gfg s TYR 39 N -3.46 2.13 -0.09 4.33 2.02 -0.86 0.34 117.35 121.76 3gfg s TYR 39 Ca 0.02 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3gfg s TYR 39 Cb 0.09 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.39 3gfg s TYR 39 CO 0.37 0.12 -0.10 -1.14 -1.57 0.00 0.00 175.55 173.23 3gfg s GLN 40 N -1.24 1.60 -0.53 -0.62 0.74 -0.20 -4.81 119.66 114.59 3gfg s GLN 40 Ca 0.10 -0.33 -0.25 0.00 0.05 0.00 0.00 55.36 54.94 3gfg s GLN 40 Cb -0.10 -1.49 0.04 0.00 1.10 0.00 0.00 33.01 32.56 3gfg s GLN 40 CO 0.02 -0.13 0.95 0.42 -0.55 0.00 0.00 175.29 176.00 3gfg s ILE 41 N 1.20 4.39 -0.21 -2.34 1.09 -1.26 -1.10 121.20 122.97 3gfg s ILE 41 Ca -0.04 0.41 0.08 0.00 -1.10 0.00 0.00 60.65 60.00 3gfg s ILE 41 Cb -0.14 -4.53 -0.21 0.00 -1.06 0.00 0.00 42.46 36.52 3gfg s ILE 41 CO -0.03 -1.07 0.01 -1.20 -0.10 0.00 0.00 174.94 172.55 3gfg n SER 42 N 7.45 1.13 -3.90 3.58 7.64 -0.71 -4.14 113.62 124.68 3gfg n SER 42 Ca 0.03 -0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 3gfg n SER 42 Cb 0.48 0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.52 0.14 -0.03 1.43 1.02 -1.09 -0.12 119.74 118.56 3gfg s LYS 43 Ca -0.22 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.60 3gfg s LYS 43 Cb 0.08 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 3gfg s LYS 43 CO 0.72 -0.02 -0.05 0.42 -0.92 0.00 0.00 175.35 175.50 3gfg s ILE 44 N -0.51 0.49 -0.32 2.17 1.01 -0.65 -1.54 121.20 121.85 3gfg s ILE 44 Ca -0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 3gfg s ILE 44 Cb -0.04 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3gfg s ILE 44 CO -0.00 0.20 0.24 -0.32 0.00 0.00 0.00 174.94 175.06 3gfg s MET 45 N 0.66 3.64 -0.11 2.79 -2.45 -0.45 -1.17 119.30 122.21 3gfg s MET 45 Ca -0.08 -0.51 -0.33 0.00 -1.25 0.00 0.00 55.69 53.51 3gfg s MET 45 Cb -0.12 -3.76 0.14 0.00 1.25 0.00 0.00 34.83 32.34 3gfg s MET 45 CO 0.00 -0.37 1.36 -0.08 1.05 0.00 0.00 175.02 176.98 3gfg s THR 46 N 1.77 0.00 -0.77 10.11 -1.32 -0.97 -1.52 115.64 122.95 3gfg s THR 46 Ca 0.07 -0.08 0.07 0.00 -1.21 0.00 0.00 61.69 60.54 3gfg s THR 46 Cb -0.17 -1.75 0.10 0.00 -1.51 0.00 0.00 72.50 69.18 3gfg s THR 46 CO 0.11 0.00 0.88 -1.54 -2.21 0.00 0.00 174.62 171.85 3gfg n SER 47 N -0.38 1.93 -2.67 8.08 3.41 -1.26 -4.56 113.62 118.17 3gfg n SER 47 Ca -0.06 -1.54 -0.19 0.00 -0.26 0.00 0.00 58.87 56.82 3gfg n SER 47 Cb 0.62 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.30 2.14 -0.09 4.33 1.74 -1.26 -4.75 116.66 119.07 3gfg n ARG 48 Ca 0.05 -1.26 -0.09 0.00 -0.77 0.00 0.00 57.85 55.78 3gfg n ARG 48 Cb 0.24 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 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 2.74 0.19 -0.68 0.55 2.02 -2.00 -2.76 112.91 112.98 3gfg h THR 49 Ca 0.40 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.64 3gfg h THR 49 Cb 0.68 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 3gfg h THR 49 CO 0.94 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 176.87 3gfg h GLU 50 N -0.32 0.66 -0.74 6.66 3.07 -2.00 -2.29 114.58 119.62 3gfg h GLU 50 Ca 0.14 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3gfg h GLU 50 Cb 0.56 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 3gfg h GLU 50 CO -0.51 0.44 0.45 0.93 -1.40 0.00 0.00 179.01 178.91 3gfg h GLU 51 N 0.68 1.00 -0.73 2.33 3.07 -1.90 -0.99 114.58 118.05 3gfg h GLU 51 Ca 0.31 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 3gfg h GLU 51 Cb 0.21 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3gfg h GLU 51 CO -0.19 0.71 0.34 0.28 -1.40 0.00 0.00 179.01 178.74 3gfg h VAL 52 N 1.01 1.24 0.00 3.13 2.07 -1.30 -0.36 116.25 122.04 3gfg h VAL 52 Ca 0.27 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3gfg h VAL 52 Cb -0.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3gfg h VAL 52 CO -0.05 0.29 -0.31 0.50 0.02 0.00 0.00 177.57 178.01 3gfg h LYS 53 N 1.02 0.00 -0.08 1.57 3.11 -1.05 0.37 116.57 121.51 3gfg h LYS 53 Ca 0.25 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.89 3gfg h LYS 53 Cb 0.14 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.38 3gfg h LYS 53 CO -0.03 0.31 -0.71 -0.09 -2.81 0.00 0.00 179.45 176.12 3gfg h ARG 54 N 0.00 0.63 0.16 1.90 2.43 -0.55 -3.32 114.38 115.64 3gfg h ARG 54 Ca -0.00 -0.57 -0.34 0.00 -0.81 0.00 0.00 59.98 58.26 3gfg h ARG 54 Cb 0.67 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3gfg h ARG 54 CO 0.04 1.18 -1.71 -0.44 -1.51 0.00 0.00 179.97 177.53 3gfg h ASP 55 N 0.28 0.52 -2.88 -3.80 3.32 -0.83 -3.43 116.42 109.60 3gfg h ASP 55 Ca -0.07 -0.92 -0.60 0.00 0.02 0.00 0.00 57.03 55.46 3gfg h ASP 55 Cb 1.37 -0.17 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 3gfg h ASP 55 CO 0.14 1.76 -0.78 -0.36 -1.72 0.00 0.00 179.24 178.29 3gfg s PHE 56 N -2.55 2.12 -1.19 4.55 0.08 0.13 -4.98 117.98 116.13 3gfg s PHE 56 Ca -0.18 -2.67 0.08 0.00 0.12 0.00 0.00 56.93 54.28 3gfg s PHE 56 Cb 0.05 -1.74 0.39 0.00 -0.57 0.00 0.00 43.02 41.15 3gfg s PHE 56 CO 0.82 -0.72 1.21 -2.30 -0.10 0.00 0.00 175.22 174.12 3gfg n PRO 57 N 2.74 0.05 0.00 0.24 -0.02 -1.25 -1.80 135.00 134.97 3gfg n PRO 57 Ca 0.21 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3gfg n PRO 57 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 3gfg n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gfg n ASP 58 N -1.40 0.69 -4.80 2.55 8.00 -1.26 -5.01 116.55 115.32 3gfg n ASP 58 Ca 0.03 -0.85 -0.35 0.00 0.71 0.00 0.00 54.79 54.33 3gfg n ASP 58 Cb 0.08 0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 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 -1.69 3.08 -0.01 2.24 0.00 -0.74 -4.93 121.76 119.72 3gfg s ALA 59 Ca 0.05 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 3gfg s ALA 59 Cb 0.07 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3gfg s ALA 59 CO 0.33 0.02 0.42 -2.00 0.00 0.00 0.00 175.76 174.53 3gfg s GLU 60 N -2.70 3.97 -0.15 0.00 2.12 0.83 -4.92 118.70 117.84 3gfg s GLU 60 Ca 0.58 0.42 -0.14 0.00 0.36 0.00 0.00 54.97 56.18 3gfg s GLU 60 Cb -0.15 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 3gfg s GLU 60 CO 0.20 0.64 0.32 0.08 -0.54 0.00 0.00 175.26 175.96 3gfg s VAL 61 N -0.92 5.28 0.37 3.70 1.01 -1.26 -1.63 120.40 126.95 3gfg s VAL 61 Ca 0.24 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.89 3gfg s VAL 61 Cb -0.17 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 3gfg s VAL 61 CO 0.13 0.39 0.02 0.68 0.00 0.00 0.00 175.10 176.32 3gfg s VAL 62 N 0.44 1.71 0.00 2.92 -7.23 -0.32 -4.96 120.40 112.97 3gfg s VAL 62 Ca 0.18 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 3gfg s VAL 62 Cb -0.13 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3gfg s VAL 62 CO 0.05 -0.02 0.00 1.41 -0.31 0.00 0.00 175.10 176.23 3gfg n HIS 63 N -0.85 0.00 -4.84 2.82 8.25 -1.26 -2.28 115.22 117.05 3gfg n HIS 63 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 3gfg n HIS 63 Cb 0.67 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.63 3gfg n HIS 63 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3gfg s GLU 64 N -1.36 1.65 0.34 -0.41 -1.05 -1.26 -4.87 118.70 111.74 3gfg s GLU 64 Ca 0.00 -1.00 0.11 0.00 -0.15 0.00 0.00 54.97 53.92 3gfg s GLU 64 Cb 0.00 -1.77 1.03 0.00 -0.44 0.00 0.00 34.13 32.95 3gfg s GLU 64 CO 0.00 0.46 1.58 1.25 0.95 0.00 0.00 175.26 179.50 3gfg h LEU 65 N 4.93 -0.06 -1.43 1.83 5.85 -2.00 -2.11 115.31 122.32 3gfg h LEU 65 Ca -0.44 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3gfg h LEU 65 Cb 1.15 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3gfg h LEU 65 CO 0.44 -0.37 0.00 -0.33 -0.34 0.00 0.00 178.44 177.84 3gfg h GLU 66 N 0.03 0.00 0.00 1.25 3.07 -1.97 -2.11 114.58 114.85 3gfg h GLU 66 Ca 0.71 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.51 3gfg h GLU 66 Cb 1.70 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.60 3gfg h GLU 66 CO -0.83 0.00 -0.32 0.93 -1.40 0.00 0.00 179.01 177.39 3gfg h GLU 67 N 0.00 0.00 0.05 2.33 5.08 -1.78 -0.79 114.58 119.46 3gfg h GLU 67 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3gfg h GLU 67 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3gfg h GLU 67 CO 0.00 0.32 -1.97 -0.89 -1.00 0.00 0.00 179.01 175.47 3gfg n ILE 68 N -3.32 1.62 0.07 3.13 5.41 -0.84 -4.22 119.36 121.20 3gfg n ILE 68 Ca 0.01 -0.42 -0.12 0.00 1.00 0.00 0.00 62.75 63.22 3gfg n ILE 68 Cb 0.56 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.67 3gfg n ILE 68 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3gfg h THR 69 N -0.41 1.43 -0.16 1.39 1.35 -1.48 -3.11 112.91 111.92 3gfg h THR 69 Ca -0.48 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 3gfg h THR 69 Cb 1.74 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 3gfg h THR 69 CO -0.11 0.74 0.00 0.59 -0.25 0.00 0.00 175.52 176.49 3gfg n ASN 70 N -3.71 1.13 -4.57 5.36 4.13 -0.30 -4.75 115.26 112.55 3gfg n ASN 70 Ca -0.06 -1.79 -0.42 0.00 1.68 0.00 0.00 54.58 54.00 3gfg n ASN 70 Cb 0.83 -0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.90 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 -1.31 6.45 0.38 6.41 -1.08 -1.18 -4.94 116.67 121.41 3gfg s ASP 71 Ca 0.23 0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.69 3gfg s ASP 71 Cb 0.12 -2.35 1.32 0.00 -1.46 0.00 0.00 42.92 40.55 3gfg s ASP 71 CO 0.18 -0.67 1.83 1.55 0.52 0.00 0.00 175.17 178.58 3gfg h PRO 72 N 8.53 0.00 0.00 4.34 0.13 -1.88 -3.10 132.00 140.02 3gfg h PRO 72 Ca -0.26 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.67 3gfg h PRO 72 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3gfg h PRO 72 CO 0.87 0.00 -1.10 0.00 -0.23 0.00 0.00 178.00 177.54 3gfg h ALA 73 N 2.09 0.54 -2.35 -0.56 0.00 -1.93 -3.45 119.26 113.60 3gfg h ALA 73 Ca 0.00 -0.94 -0.54 0.00 0.00 0.00 0.00 54.91 53.43 3gfg h ALA 73 Cb 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gfg h ALA 73 CO 0.00 1.17 0.90 0.42 0.00 0.00 0.00 179.25 181.74 3gfg s ILE 74 N -2.76 3.66 -0.26 0.00 -1.09 -1.17 -4.65 121.20 114.93 3gfg s ILE 74 Ca -0.00 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 3gfg s ILE 74 Cb 0.09 -3.64 -0.16 0.00 -1.58 0.00 0.00 42.46 37.16 3gfg s ILE 74 CO 0.81 -0.02 -0.24 -0.62 -1.23 0.00 0.00 174.94 173.63 3gfg n GLU 75 N 5.78 0.64 -4.64 2.79 1.02 0.43 -4.92 120.64 121.74 3gfg n GLU 75 Ca 0.14 0.16 -0.26 0.00 -0.02 0.00 0.00 57.16 57.18 3gfg n GLU 75 Cb 0.43 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.17 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 -6.63 1.70 -0.12 -4.62 2.96 -0.66 -2.29 118.68 109.02 3gfg s LEU 76 Ca -0.35 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.21 3gfg s LEU 76 Cb 0.10 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 3gfg s LEU 76 CO 0.59 0.04 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.86 3gfg s VAL 77 N 0.68 3.27 -0.27 1.68 1.01 -0.71 -0.68 120.40 125.38 3gfg s VAL 77 Ca -0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 3gfg s VAL 77 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3gfg s VAL 77 CO 0.04 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.18 3gfg s ILE 78 N 0.18 4.92 -0.39 2.22 -1.09 0.50 -1.39 121.20 126.14 3gfg s ILE 78 Ca -0.06 0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.24 3gfg s ILE 78 Cb -0.15 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 3gfg s ILE 78 CO 0.04 0.29 0.34 -0.69 -1.23 0.00 0.00 174.94 173.69 3gfg s VAL 79 N 1.67 5.20 -0.03 2.92 1.01 0.10 0.09 120.40 131.36 3gfg s VAL 79 Ca 0.07 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3gfg s VAL 79 Cb -0.16 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.39 3gfg s VAL 79 CO 0.08 -0.25 1.00 0.35 0.00 0.00 0.00 175.10 176.28 3gfg n THR 80 N 5.25 0.47 -0.62 3.92 -2.24 -0.14 -1.56 114.28 119.36 3gfg n THR 80 Ca -0.10 -0.57 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 3gfg n THR 80 Cb 0.48 0.35 0.06 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.36 0.00 -1.93 4.28 -2.24 -1.17 -4.73 114.28 108.14 3gfg n THR 81 Ca 0.04 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 3gfg n THR 81 Cb 0.66 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 3gfg n THR 81 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3gfg s PRO 82 N -3.60 4.21 0.23 -0.78 0.02 -1.26 -4.89 135.00 128.93 3gfg s PRO 82 Ca 0.17 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3gfg s PRO 82 Cb -0.02 -3.03 0.46 0.00 0.02 0.00 0.00 34.50 31.93 3gfg s PRO 82 CO 0.13 -0.43 1.25 0.43 -0.33 0.00 0.00 177.00 178.05 3gfg n SER 83 N 1.16 -0.22 -0.11 2.53 7.64 -1.26 -0.25 113.62 123.11 3gfg n SER 83 Ca 0.03 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.28 3gfg n SER 83 Cb 0.40 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3gfg n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gfg n GLY 84 N -1.47 -0.27 0.00 0.23 0.00 -1.26 -1.55 105.19 100.87 3gfg n GLY 84 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3gfg n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gfg n LEU 85 N -0.35 0.05 -0.24 0.99 4.77 0.65 -4.76 117.00 118.12 3gfg n LEU 85 Ca 0.00 -0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 3gfg n LEU 85 Cb 0.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3gfg n LEU 85 CO 0.00 0.01 0.52 0.45 -1.33 0.00 0.00 177.39 177.04 3gfg h HIS 86 N 0.00 -1.62 0.14 -1.77 3.86 -1.29 0.16 115.15 114.64 3gfg h HIS 86 Ca 0.00 0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3gfg h HIS 86 Cb 0.10 0.79 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 3gfg h HIS 86 CO 0.00 -0.44 -0.22 -0.92 0.86 0.00 0.00 177.93 177.21 3gfg h TYR 87 N -0.23 -0.59 -0.65 2.45 3.20 -1.87 0.23 116.97 119.51 3gfg h TYR 87 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gfg h TYR 87 Cb 0.54 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 3gfg h TYR 87 CO -0.81 -0.32 0.38 1.49 -1.64 0.00 0.00 178.16 177.26 3gfg h GLU 88 N -0.43 0.89 -0.21 1.82 4.81 -1.75 -0.67 114.58 119.04 3gfg h GLU 88 Ca 0.02 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 3gfg h GLU 88 Cb 0.44 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gfg h GLU 88 CO -0.10 0.65 -0.56 0.45 -0.73 0.00 0.00 179.01 178.71 3gfg h HIS 89 N 0.89 0.80 -0.43 0.92 3.86 -0.49 -2.85 115.15 117.85 3gfg h HIS 89 Ca 0.23 -0.29 -0.14 0.00 -1.16 0.00 0.00 60.37 59.01 3gfg h HIS 89 Cb -0.01 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3gfg h HIS 89 CO -0.01 1.05 -0.28 1.15 0.86 0.00 0.00 177.93 180.70 3gfg h THR 90 N 0.49 1.27 -0.47 2.45 2.02 -0.37 -2.13 112.91 116.16 3gfg h THR 90 Ca 0.01 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 3gfg h THR 90 Cb 1.12 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3gfg h THR 90 CO 0.11 0.49 0.19 -0.03 0.37 0.00 0.00 175.52 176.65 3gfg h MET 91 N 0.79 0.71 -0.16 6.66 -1.53 -1.14 0.66 114.93 120.93 3gfg h MET 91 Ca 0.09 -0.13 -0.09 0.00 -3.44 0.00 0.00 59.70 56.13 3gfg h MET 91 Cb 0.86 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.79 3gfg h MET 91 CO 0.08 0.64 -0.31 0.00 0.14 0.00 0.00 176.91 177.46 3gfg h ALA 92 N 1.03 1.19 -0.31 0.39 0.00 -1.52 0.12 119.26 120.15 3gfg h ALA 92 Ca 0.16 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3gfg h ALA 92 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gfg h ALA 92 CO -0.01 0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.92 3gfg h ILE 94 N 0.37 1.26 -0.82 0.00 2.04 -0.43 -1.94 117.51 118.00 3gfg h ILE 94 Ca 0.11 -0.90 0.20 0.00 1.00 0.00 0.00 64.86 65.27 3gfg h ILE 94 Cb 0.12 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 3gfg h ILE 94 CO -0.01 0.27 0.56 1.56 0.00 0.00 0.00 178.15 180.53 3gfg h GLN 95 N 0.09 0.25 -0.00 2.37 1.08 -0.77 0.37 115.11 118.50 3gfg h GLN 95 Ca 0.05 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3gfg h GLN 95 Cb 0.41 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 3gfg h GLN 95 CO 0.01 0.16 -0.12 0.00 -0.95 0.00 0.00 178.83 177.93 3gfg n ALA 96 N -2.58 2.68 -1.12 3.87 0.00 -0.94 -4.91 120.51 117.52 3gfg n ALA 96 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gfg n ALA 96 Cb 0.71 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.42 0.90 3.84 0.00 0.00 0.13 -5.02 105.19 106.47 3gfg n GLY 97 Ca 0.09 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.53 3.33 0.65 1.61 -0.14 -0.76 -4.97 119.74 116.93 3gfg s LYS 98 Ca 0.00 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.19 3gfg s LYS 98 Cb 0.00 -3.07 -0.00 0.00 -1.68 0.00 0.00 37.83 33.08 3gfg s LYS 98 CO 0.00 0.73 1.15 -1.01 -0.76 0.00 0.00 175.35 175.46 3gfg s HIS 99 N -1.09 2.45 -0.04 3.18 3.76 -0.97 -4.31 115.29 118.27 3gfg s HIS 99 Ca 0.18 1.56 -0.01 0.00 -0.15 0.00 0.00 55.06 56.64 3gfg s HIS 99 Cb -0.12 -3.30 0.03 0.00 1.11 0.00 0.00 32.58 30.30 3gfg s HIS 99 CO 0.08 -1.98 0.07 0.08 -0.85 0.00 0.00 174.74 172.14 3gfg s VAL 100 N -2.08 -0.06 -0.34 -0.90 1.01 -0.53 -1.74 120.40 115.76 3gfg s VAL 100 Ca 0.71 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 3gfg s VAL 100 Cb -0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 3gfg s VAL 100 CO 0.39 0.09 0.29 -0.69 0.00 0.00 0.00 175.10 175.18 3gfg s VAL 101 N 1.15 5.24 -0.09 2.92 1.01 -0.49 -0.60 120.40 129.54 3gfg s VAL 101 Ca -0.09 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3gfg s VAL 101 Cb -0.13 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3gfg s VAL 101 CO -0.04 -0.05 0.54 -0.04 0.00 0.00 0.00 175.10 175.50 3gfg s MET 102 N 1.84 4.35 0.56 2.72 -1.94 0.12 0.00 119.30 126.96 3gfg s MET 102 Ca 0.08 0.58 -0.20 0.00 -1.71 0.00 0.00 55.69 54.44 3gfg s MET 102 Cb -0.17 -3.42 -0.05 0.00 2.01 0.00 0.00 34.83 33.20 3gfg s MET 102 CO 0.11 0.18 1.20 -2.00 -0.01 0.00 0.00 175.02 174.50 3gfg s GLU 103 N 0.52 3.15 0.49 2.03 2.56 -0.60 -0.04 118.70 126.81 3gfg s GLU 103 Ca 0.29 1.82 -0.18 0.00 0.00 0.00 0.00 54.97 56.90 3gfg s GLU 103 Cb -0.16 -2.03 -0.09 0.00 2.00 0.00 0.00 34.13 33.85 3gfg s GLU 103 CO 0.13 -1.06 0.98 -1.59 -0.56 0.00 0.00 175.26 173.16 3gfg s LYS 104 N -3.20 4.03 0.66 4.30 0.00 -1.26 -4.21 119.74 120.06 3gfg s LYS 104 Ca 0.74 1.03 -0.14 0.00 0.00 0.00 0.00 55.97 57.60 3gfg s LYS 104 Cb -0.30 -2.15 -0.00 0.00 0.00 0.00 0.00 37.83 35.38 3gfg s LYS 104 CO 0.33 -0.20 1.08 -1.25 0.00 0.00 0.00 175.35 175.31 3gfg s PRO 105 N -3.73 2.95 0.04 1.78 0.04 -1.26 -5.04 135.00 129.77 3gfg s PRO 105 Ca 0.60 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 3gfg s PRO 105 Cb -0.10 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3gfg s PRO 105 CO 0.25 -1.11 1.30 1.98 0.04 0.00 0.00 177.00 179.46 3gfg h MET 106 N -0.13 -0.55 -3.29 4.56 1.85 -1.88 -3.48 114.93 112.02 3gfg h MET 106 Ca -0.46 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.65 3gfg h MET 106 Cb 1.23 0.12 -0.05 0.00 0.43 0.00 0.00 31.60 33.33 3gfg h MET 106 CO 0.55 -0.37 0.10 0.95 -0.40 0.00 0.00 176.91 177.75 3gfg s THR 107 N -4.52 0.00 0.11 -0.77 -4.23 -1.26 -4.80 115.64 100.17 3gfg s THR 107 Ca -0.10 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.10 3gfg s THR 107 Cb 0.02 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.50 3gfg s THR 107 CO 0.32 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.88 3gfg h ALA 108 N 2.08 0.49 -3.90 3.99 0.00 -1.94 -3.45 119.26 116.53 3gfg h ALA 108 Ca -0.25 -0.36 -0.68 0.00 0.00 0.00 0.00 54.91 53.62 3gfg h ALA 108 Cb 1.25 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 3gfg h ALA 108 CO 0.32 0.44 -0.81 0.95 0.00 0.00 0.00 179.25 180.14 3gfg s THR 109 N -4.57 2.72 0.27 0.00 -4.23 -1.26 -4.85 115.64 103.72 3gfg s THR 109 Ca -0.12 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3gfg s THR 109 Cb 0.09 -2.18 0.27 0.00 1.34 0.00 0.00 72.50 72.02 3gfg s THR 109 CO 0.83 0.23 1.90 0.00 -0.54 0.00 0.00 174.62 177.04 3gfg h ALA 110 N 4.20 1.40 -0.39 3.99 0.00 -1.86 -2.78 119.26 123.82 3gfg h ALA 110 Ca -0.49 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.47 3gfg h ALA 110 Cb 1.16 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3gfg h ALA 110 CO 0.46 0.47 -0.15 1.49 0.00 0.00 0.00 179.25 181.52 3gfg h GLU 111 N 1.19 -0.07 -0.73 0.00 4.81 -1.95 0.12 114.58 117.95 3gfg h GLU 111 Ca 0.41 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3gfg h GLU 111 Cb 0.10 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3gfg h GLU 111 CO -0.15 -0.05 0.30 0.93 -0.73 0.00 0.00 179.01 179.31 3gfg h GLU 112 N -0.08 1.08 -0.81 1.92 5.08 -1.92 -2.17 114.58 117.69 3gfg h GLU 112 Ca 0.19 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3gfg h GLU 112 Cb 0.37 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3gfg h GLU 112 CO -0.45 0.87 0.34 0.78 -1.00 0.00 0.00 179.01 179.55 3gfg h GLY 113 N 1.10 1.28 0.63 -3.84 0.00 -1.23 -2.31 103.07 98.70 3gfg h GLY 113 Ca 0.25 -0.68 0.08 0.00 0.00 0.00 0.00 47.33 46.97 3gfg h GLY 113 CO -0.02 0.64 0.51 0.83 0.00 0.00 0.00 176.54 178.50 3gfg h GLU 114 N 1.17 0.87 0.12 4.80 4.39 -0.31 -0.41 114.58 125.20 3gfg h GLU 114 Ca 0.27 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 3gfg h GLU 114 Cb 0.19 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gfg h GLU 114 CO -0.03 0.58 -0.06 1.15 -1.16 0.00 0.00 179.01 179.49 3gfg h THR 115 N 0.90 0.99 -0.72 1.13 2.02 -0.88 -1.75 112.91 114.60 3gfg h THR 115 Ca 0.39 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3gfg h THR 115 Cb 0.27 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3gfg h THR 115 CO -0.21 0.10 0.44 -0.07 0.37 0.00 0.00 175.52 176.15 3gfg h LEU 116 N -0.34 0.70 0.14 2.58 3.38 -1.23 -1.35 115.31 119.18 3gfg h LEU 116 Ca -0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gfg h LEU 116 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3gfg h LEU 116 CO 0.03 0.47 -0.15 0.50 0.09 0.00 0.00 178.44 179.37 3gfg h LYS 117 N 0.83 -0.31 -0.48 1.13 3.64 -1.00 -1.10 116.57 119.28 3gfg h LYS 117 Ca 0.30 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.80 3gfg h LYS 117 Cb 0.09 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3gfg h LYS 117 CO -0.14 -0.21 -0.09 0.00 -2.27 0.00 0.00 179.45 176.74 3gfg h ARG 118 N -0.32 0.02 -0.35 1.90 3.08 -0.82 -2.04 114.38 115.85 3gfg h ARG 118 Ca 0.01 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3gfg h ARG 118 Cb 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3gfg h ARG 118 CO -0.05 0.01 0.17 0.00 -1.07 0.00 0.00 179.97 179.03 3gfg h ALA 119 N 1.47 0.42 -0.04 0.04 0.00 -1.03 0.95 119.26 121.07 3gfg h ALA 119 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gfg h ALA 119 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gfg h ALA 119 CO -0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 179.25 178.54 3gfg h ALA 120 N 1.18 1.88 0.01 0.00 0.00 -0.73 0.25 119.26 121.85 3gfg h ALA 120 Ca 0.15 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3gfg h ALA 120 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3gfg h ALA 120 CO -0.10 0.09 -1.19 -0.44 0.00 0.00 0.00 179.25 177.61 3gfg h ASP 121 N 0.05 0.03 0.89 0.00 3.32 -0.91 0.16 116.42 119.96 3gfg h ASP 121 Ca 0.01 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3gfg h ASP 121 Cb 0.09 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3gfg h ASP 121 CO 0.00 1.03 -0.43 -0.08 -1.72 0.00 0.00 179.24 178.04 3gfg h GLU 122 N 0.00 -1.15 0.00 3.56 4.57 0.00 -3.30 114.58 118.27 3gfg h GLU 122 Ca -0.08 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3gfg h GLU 122 Cb 1.84 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 3gfg h GLU 122 CO 0.12 -0.77 0.00 1.17 -1.18 0.00 0.00 179.01 178.35 3gfg n LYS 123 N -5.41 0.12 -2.48 1.92 3.00 0.80 -4.94 118.16 111.18 3gfg n LYS 123 Ca -0.15 0.21 -0.01 0.00 -0.00 0.00 0.00 58.31 58.36 3gfg n LYS 123 Cb 0.47 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.84 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 0.81 0.79 3.30 3.14 0.00 -0.55 -4.98 105.19 107.70 3gfg n GLY 124 Ca 0.05 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.02 1.64 0.06 1.61 -7.23 -0.06 -5.03 120.40 108.36 3gfg s VAL 125 Ca 0.03 -1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 3gfg s VAL 125 Cb -0.01 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 3gfg s VAL 125 CO 0.04 -0.34 1.30 -0.76 -0.31 0.00 0.00 175.10 175.04 3gfg s LEU 126 N -2.55 4.35 -0.11 1.32 1.43 -1.26 -4.55 118.68 117.32 3gfg s LEU 126 Ca 0.13 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 3gfg s LEU 126 Cb -0.06 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.60 3gfg s LEU 126 CO 0.05 -0.59 -0.19 -0.22 0.23 0.00 0.00 176.35 175.63 3gfg s LEU 127 N 1.44 1.90 0.04 1.79 2.96 -1.26 -1.46 118.68 124.10 3gfg s LEU 127 Ca 0.62 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3gfg s LEU 127 Cb -0.32 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3gfg s LEU 127 CO 0.28 0.07 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.79 3gfg s SER 128 N 0.71 0.56 -0.09 3.68 0.15 0.23 -3.60 113.70 115.34 3gfg s SER 128 Ca -0.11 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 55.86 3gfg s SER 128 Cb -0.16 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3gfg s SER 128 CO 0.02 -0.37 -0.15 -0.69 1.20 0.00 0.00 173.24 173.26 3gfg s VAL 129 N -2.29 2.96 -1.34 4.45 1.01 -1.25 0.13 120.40 124.06 3gfg s VAL 129 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 3gfg s VAL 129 Cb -0.04 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.18 3gfg s VAL 129 CO -0.03 0.55 2.00 0.00 0.00 0.00 0.00 175.10 177.62 3gfg n TYR 130 N 3.00 3.84 -2.95 5.22 9.36 0.94 -4.72 117.16 131.86 3gfg n TYR 130 Ca -0.18 -2.77 -0.43 0.00 3.32 0.00 0.00 57.90 57.84 3gfg n TYR 130 Cb 0.52 -2.54 0.01 0.00 -0.63 0.00 0.00 39.34 36.70 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 7.53 2.82 0.86 2.98 8.25 -1.26 -4.17 115.22 132.23 3gfg n HIS 131 Ca 0.50 -2.80 0.13 0.00 -0.26 0.00 0.00 57.72 55.29 3gfg n HIS 131 Cb 0.42 -1.44 0.54 0.00 1.12 0.00 0.00 29.99 30.63 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 1.98 0.11 0.25 0.41 6.94 -1.26 -2.99 115.26 120.70 3gfg n ASN 132 Ca 0.28 0.51 0.17 0.00 -0.02 0.00 0.00 54.58 55.52 3gfg n ASN 132 Cb 0.35 -0.54 0.86 0.00 -2.36 0.00 0.00 39.78 38.08 3gfg n ASN 132 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 3gfg h ARG 133 N 0.00 0.00 -0.42 -3.83 -0.00 -1.92 0.29 114.38 108.50 3gfg h ARG 133 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.60 3gfg h ARG 133 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.43 3gfg h ARG 133 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 179.97 180.47 3gfg h ARG 134 N 0.00 0.00 -0.31 0.04 3.08 -1.88 -1.81 114.38 113.49 3gfg h ARG 134 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gfg h ARG 134 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3gfg h ARG 134 CO 0.00 0.00 0.01 0.91 -1.07 0.00 0.00 179.97 179.82 3gfg n TRP 135 N -3.58 1.12 -2.03 3.04 8.01 0.10 -4.45 117.44 119.64 3gfg n TRP 135 Ca 0.08 -0.94 -0.38 0.00 -1.31 0.00 0.00 57.50 54.94 3gfg n TRP 135 Cb 0.67 -0.36 0.01 0.00 -2.01 0.00 0.00 31.31 29.62 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 -1.86 5.90 0.17 -0.99 1.11 -0.68 -1.10 116.67 119.22 3gfg s ASP 136 Ca 0.44 2.57 -0.14 0.00 0.18 0.00 0.00 52.55 55.60 3gfg s ASP 136 Cb 0.36 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.81 3gfg s ASP 136 CO 0.09 -1.12 1.80 -0.55 1.18 0.00 0.00 175.17 176.57 3gfg h ASN 137 N 2.03 0.42 -0.22 0.27 7.08 -1.84 -0.10 115.58 123.22 3gfg h ASN 137 Ca -0.50 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 52.71 3gfg h ASN 137 Cb 1.26 -0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 37.42 3gfg h ASN 137 CO 0.60 0.30 0.06 -2.24 -2.08 0.00 0.00 177.43 174.07 3gfg h ASP 138 N 0.54 0.32 -0.72 6.14 3.04 -1.94 -1.77 116.42 122.02 3gfg h ASP 138 Ca 0.19 -0.21 -0.03 0.00 -3.24 0.00 0.00 57.03 53.75 3gfg h ASP 138 Cb 0.05 -0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 38.22 3gfg h ASP 138 CO -0.10 0.45 0.35 0.15 -2.04 0.00 0.00 179.24 178.04 3gfg h PHE 139 N 0.18 1.05 -0.10 4.15 3.57 -1.81 -1.05 116.94 122.93 3gfg h PHE 139 Ca 0.07 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3gfg h PHE 139 Cb 0.24 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3gfg h PHE 139 CO 0.00 0.77 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.70 3gfg h LEU 140 N 1.05 0.14 -0.20 0.59 3.38 -0.90 -0.77 115.31 118.59 3gfg h LEU 140 Ca 0.26 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 3gfg h LEU 140 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gfg h LEU 140 CO -0.03 0.25 -0.52 0.74 0.09 0.00 0.00 178.44 178.97 3gfg h THR 141 N 0.15 1.31 -0.30 0.22 2.02 -0.34 -1.13 112.91 114.84 3gfg h THR 141 Ca 0.03 -1.74 0.01 0.00 0.77 0.00 0.00 66.41 65.47 3gfg h THR 141 Cb 0.25 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3gfg h THR 141 CO 0.01 0.55 0.19 0.40 0.37 0.00 0.00 175.52 177.04 3gfg h ILE 142 N 0.40 1.06 -0.71 3.11 2.04 -0.92 -0.15 117.51 122.35 3gfg h ILE 142 Ca -0.01 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.79 3gfg h ILE 142 Cb 1.13 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 3gfg h ILE 142 CO 0.11 0.07 0.40 0.11 0.00 0.00 0.00 178.15 178.84 3gfg h LYS 143 N 0.39 0.70 -0.47 2.37 1.57 -1.01 -0.57 116.57 119.54 3gfg h LYS 143 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3gfg h LYS 143 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3gfg h LYS 143 CO -0.03 0.46 0.26 -0.22 -0.57 0.00 0.00 179.45 179.35 3gfg h LYS 144 N 0.72 0.65 -0.32 3.15 3.64 -0.81 -0.48 116.57 123.11 3gfg h LYS 144 Ca 0.32 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3gfg h LYS 144 Cb 0.22 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3gfg h LYS 144 CO -0.20 0.50 0.06 -0.07 -2.27 0.00 0.00 179.45 177.47 3gfg h LEU 145 N 0.62 0.51 0.08 5.20 3.38 -0.40 -2.03 115.31 122.66 3gfg h LEU 145 Ca 0.16 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3gfg h LEU 145 Cb 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3gfg h LEU 145 CO -0.03 0.63 -0.31 0.40 0.09 0.00 0.00 178.44 179.22 3gfg h ILE 146 N 0.36 0.34 -0.05 1.22 2.04 -1.03 -1.67 117.51 118.73 3gfg h ILE 146 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3gfg h ILE 146 Cb 0.33 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3gfg h ILE 146 CO 0.00 0.00 0.05 0.77 0.00 0.00 0.00 178.15 178.97 3gfg h SER 147 N -0.51 0.00 0.04 1.72 4.64 -0.82 -1.77 113.55 116.85 3gfg h SER 147 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gfg h SER 147 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3gfg h SER 147 CO -0.20 0.00 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.07 3gfg n GLU 148 N -4.01 1.53 -0.73 4.77 1.02 -0.79 -4.95 120.64 117.49 3gfg n GLU 148 Ca -0.02 -0.94 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 3gfg n GLU 148 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.23 0.61 0.34 0.62 0.00 -0.66 -4.95 105.19 102.37 3gfg n GLY 149 Ca 0.17 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.49 1.31 -2.70 1.61 7.64 -0.65 -4.12 113.62 117.20 3gfg n SER 150 Ca 0.00 -1.11 -0.15 0.00 1.01 0.00 0.00 58.87 58.62 3gfg n SER 150 Cb 0.00 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.36 2.24 -4.74 -3.43 4.77 -1.24 -4.76 117.00 109.48 3gfg n LEU 151 Ca 0.13 -4.30 -0.39 0.00 -0.03 0.00 0.00 56.01 51.42 3gfg n LEU 151 Cb 0.37 0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 3gfg n LEU 151 CO 0.24 1.84 0.97 -0.62 -1.33 0.00 0.00 177.39 178.49 3gfg n GLU 152 N -0.12 1.73 -3.48 3.23 -0.58 -1.26 -4.12 120.64 116.04 3gfg n GLU 152 Ca 0.19 0.63 -0.22 0.00 -0.42 0.00 0.00 57.16 57.34 3gfg n GLU 152 Cb 0.74 -2.55 0.04 0.00 -0.57 0.00 0.00 31.44 29.10 3gfg n GLU 152 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3gfg n ASP 153 N -0.85 -6.04 -4.72 1.62 2.03 -1.26 -2.95 116.55 104.38 3gfg n ASP 153 Ca 0.10 -0.78 -0.42 0.00 0.52 0.00 0.00 54.79 54.21 3gfg n ASP 153 Cb 0.44 -4.00 -0.03 0.00 -0.72 0.00 0.00 41.12 36.81 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gfg s ILE 154 N -3.32 2.62 -0.05 5.18 1.01 -1.26 -3.13 121.20 122.25 3gfg s ILE 154 Ca 0.35 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.53 3gfg s ILE 154 Cb -0.10 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 3gfg s ILE 154 CO 0.82 0.04 0.08 -0.46 0.00 0.00 0.00 174.94 175.42 3gfg n ASN 155 N 3.88 3.15 -3.85 3.58 0.23 0.10 -4.59 115.26 117.77 3gfg n ASN 155 Ca 0.13 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 54.01 3gfg n ASN 155 Cb 0.39 0.94 -0.16 0.00 -2.08 0.00 0.00 39.78 38.86 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 -2.32 0.30 -0.32 5.53 2.01 -0.96 -0.52 115.64 119.37 3gfg s THR 156 Ca -0.03 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 3gfg s THR 156 Cb 0.03 -0.37 0.11 0.00 0.01 0.00 0.00 72.50 72.28 3gfg s THR 156 CO 0.32 0.17 0.13 -0.47 -0.69 0.00 0.00 174.62 174.08 3gfg s TYR 157 N 0.95 1.23 -0.21 4.92 5.04 -0.06 -0.76 117.35 128.45 3gfg s TYR 157 Ca -0.11 -1.52 -0.05 0.00 -2.44 0.00 0.00 57.07 52.95 3gfg s TYR 157 Cb -0.14 -1.42 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 3gfg s TYR 157 CO -0.01 -0.85 -0.01 -0.65 -1.34 0.00 0.00 175.55 172.68 3gfg s GLN 158 N 1.62 3.51 -0.03 4.97 -0.21 0.14 -0.92 119.66 128.75 3gfg s GLN 158 Ca 0.11 -0.57 0.04 0.00 0.02 0.00 0.00 55.36 54.96 3gfg s GLN 158 Cb -0.18 -3.07 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 3gfg s GLN 158 CO -0.25 -0.10 -0.14 0.08 -2.12 0.00 0.00 175.29 172.76 3gfg s VAL 159 N 1.27 1.13 0.07 1.09 1.01 -0.09 -0.13 120.40 124.76 3gfg s VAL 159 Ca 0.04 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3gfg s VAL 159 Cb -0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3gfg s VAL 159 CO 0.00 0.33 -0.20 -0.94 0.00 0.00 0.00 175.10 174.29 3gfg s SER 160 N -0.06 2.40 -0.44 3.32 1.04 -0.15 -0.98 113.70 118.83 3gfg s SER 160 Ca 0.00 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 55.88 3gfg s SER 160 Cb -0.08 -0.16 0.17 0.00 0.10 0.00 0.00 66.02 66.05 3gfg s SER 160 CO 0.01 0.09 0.45 -0.47 0.98 0.00 0.00 173.24 174.30 3gfg s TYR 161 N -0.99 0.21 0.44 5.02 6.04 0.31 -4.67 117.35 123.71 3gfg s TYR 161 Ca 0.06 -1.70 0.06 0.00 0.04 0.00 0.00 57.07 55.53 3gfg s TYR 161 Cb -0.09 -0.53 0.01 0.00 -1.04 0.00 0.00 41.96 40.31 3gfg s TYR 161 CO 0.03 -0.97 0.60 -0.80 -1.54 0.00 0.00 175.55 172.88 3gfg s ASN 162 N 0.43 5.63 0.19 4.32 0.01 -1.26 -4.24 114.94 120.02 3gfg s ASN 162 Ca 0.30 -0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 52.10 3gfg s ASN 162 Cb 0.00 -0.84 -0.01 0.00 0.41 0.00 0.00 41.25 40.81 3gfg s ASN 162 CO -0.14 -0.79 0.32 0.00 -1.51 0.00 0.00 177.10 174.99 3gfg s ARG 163 N -4.42 1.28 -0.37 -0.60 1.70 -0.53 -4.94 118.95 111.05 3gfg s ARG 163 Ca 0.54 -1.25 0.04 0.00 -0.47 0.00 0.00 55.73 54.58 3gfg s ARG 163 Cb -0.10 0.39 0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3gfg s ARG 163 CO 0.34 -0.48 0.09 -0.47 -1.08 0.00 0.00 175.30 173.70 3gfg s TYR 164 N -4.01 3.64 -0.44 5.89 5.04 -1.26 -1.76 117.35 124.45 3gfg s TYR 164 Ca 0.22 -3.03 0.07 0.00 -2.44 0.00 0.00 57.07 51.88 3gfg s TYR 164 Cb 0.03 -2.90 0.23 0.00 0.35 0.00 0.00 41.96 39.67 3gfg s TYR 164 CO 0.04 -0.91 0.52 0.54 -1.34 0.00 0.00 175.55 174.40 3gfg n ARG 165 N 4.03 0.91 0.33 4.97 1.74 -0.22 -4.98 116.66 123.45 3gfg n ARG 165 Ca 0.04 -3.47 0.21 0.00 -0.77 0.00 0.00 57.85 53.86 3gfg n ARG 165 Cb 0.40 -1.49 1.15 0.00 -1.02 0.00 0.00 32.46 31.50 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 4.40 0.00 -4.92 5.56 0.13 -1.95 -3.41 132.00 131.81 3gfg h PRO 166 Ca 0.13 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.61 3gfg h PRO 166 Cb 0.85 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.76 3gfg h PRO 166 CO 0.51 0.00 -0.60 -2.00 -0.23 0.00 0.00 178.00 175.67 3gfg s GLU 167 N -4.23 3.65 -0.08 0.86 2.56 -1.26 -4.77 118.70 115.44 3gfg s GLU 167 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 54.97 54.14 3gfg s GLU 167 Cb 0.13 -3.39 -0.05 0.00 2.00 0.00 0.00 34.13 32.82 3gfg s GLU 167 CO 0.44 -0.21 1.58 0.08 -0.56 0.00 0.00 175.26 176.59 3gfg s VAL 168 N 1.63 3.72 -0.78 3.70 1.01 -1.26 -4.95 120.40 123.46 3gfg s VAL 168 Ca 0.06 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 62.68 3gfg s VAL 168 Cb -0.15 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.73 3gfg s VAL 168 CO 0.05 -0.08 1.15 -1.58 0.00 0.00 0.00 175.10 174.63 3gfg s GLN 169 N 3.95 3.29 -0.58 2.72 2.00 -1.26 -4.94 119.66 124.84 3gfg s GLN 169 Ca 0.70 -0.91 -0.27 0.00 -2.00 0.00 0.00 55.36 52.88 3gfg s GLN 169 Cb -0.31 -4.52 -0.26 0.00 0.80 0.00 0.00 33.01 28.72 3gfg s GLN 169 CO 0.27 -1.95 1.83 0.00 -0.50 0.00 0.00 175.29 174.94 3gfg n ALA 170 N 8.08 1.35 -4.01 1.58 0.00 -1.26 -4.84 120.51 121.41 3gfg n ALA 170 Ca 0.09 -2.76 -0.33 0.00 0.00 0.00 0.00 53.44 50.43 3gfg n ALA 170 Cb 0.48 -3.60 -0.15 0.00 0.00 0.00 0.00 19.45 16.18 3gfg n ALA 170 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gfg s ARG 171 N 6.86 2.69 0.00 0.00 1.81 -1.26 -5.33 118.95 123.71 3gfg s ARG 171 Ca 0.69 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.66 3gfg s ARG 171 Cb 0.08 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.80 3gfg s ARG 171 CO 0.23 -0.38 0.00 1.87 -0.68 0.00 0.00 175.30 176.34 3gfg n TRP 172 N 4.56 0.00 0.00 -0.53 -0.00 -1.26 -5.30 117.44 114.91 3gfg n TRP 172 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 3gfg n TRP 172 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 3gfg n TRP 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gfg n GLY 177 N 0.00 -1.46 0.00 5.87 0.00 -1.26 -5.29 105.19 103.05 3gfg n GLY 177 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3gfg n GLY 177 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gfg n THR 178 N -0.30 0.00 -1.62 2.61 5.66 -1.26 -4.76 114.28 114.61 3gfg n THR 178 Ca 0.00 -0.32 -0.33 0.00 -3.05 0.00 0.00 64.05 60.35 3gfg n THR 178 Cb 0.00 0.93 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 3gfg n THR 178 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gfg n ALA 179 N -0.75 6.83 -1.95 1.79 0.00 -1.26 -4.97 120.51 120.20 3gfg n ALA 179 Ca 0.00 -3.46 -0.27 0.00 0.00 0.00 0.00 53.44 49.71 3gfg n ALA 179 Cb 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 19.45 16.83 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 -0.53 2.68 0.00 0.00 -4.23 -1.26 -4.76 115.64 107.54 3gfg s THR 180 Ca 0.60 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 3gfg s THR 180 Cb 0.25 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.93 3gfg s THR 180 CO -0.11 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3gfg n GLY 181 N -2.94 0.38 0.20 3.99 0.00 -1.26 -4.43 105.19 101.13 3gfg n GLY 181 Ca 0.07 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 0.53 -0.25 2.61 1.35 -1.49 -2.05 112.91 113.60 3gfg h THR 182 Ca 0.00 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.41 3gfg h THR 182 Cb 0.00 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 3gfg h THR 182 CO 0.00 0.26 0.05 0.25 -0.25 0.00 0.00 175.52 175.83 3gfg h LEU 183 N 0.00 0.39 -0.47 3.87 5.85 -1.85 0.20 115.31 123.31 3gfg h LEU 183 Ca -0.00 -0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.33 3gfg h LEU 183 Cb 0.99 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3gfg h LEU 183 CO 0.03 0.53 -0.31 1.88 -0.34 0.00 0.00 178.44 180.24 3gfg h TYR 184 N 0.23 1.10 0.11 1.25 -1.99 -1.76 -1.91 116.97 114.00 3gfg h TYR 184 Ca 0.08 -0.30 -0.18 0.00 2.00 0.00 0.00 58.73 60.33 3gfg h TYR 184 Cb 0.30 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.80 3gfg h TYR 184 CO 0.02 1.12 -0.84 0.22 -0.00 0.00 0.00 178.16 178.67 3gfg h ASP 185 N 0.78 0.35 0.00 3.88 3.58 -1.32 -3.33 116.42 120.36 3gfg h ASP 185 Ca 0.08 -0.92 -0.31 0.00 0.42 0.00 0.00 57.03 56.30 3gfg h ASP 185 Cb 0.89 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.78 3gfg h ASP 185 CO 0.08 1.39 -2.07 0.18 -2.88 0.00 0.00 179.24 175.93 3gfg n LEU 186 N -4.17 1.94 -0.30 2.28 4.77 0.44 -4.57 117.00 117.40 3gfg n LEU 186 Ca -0.17 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 3gfg n LEU 186 Cb 0.78 -0.60 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 3gfg n LEU 186 CO 0.43 0.55 0.80 1.23 -1.33 0.00 0.00 177.39 179.07 3gfg h GLY 187 N 0.04 0.98 0.61 -0.72 0.00 -0.36 -2.70 103.07 100.92 3gfg h GLY 187 Ca -0.47 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.10 3gfg h GLY 187 CO -0.22 -0.38 0.56 1.48 0.00 0.00 0.00 176.54 177.99 3gfg h SER 188 N 0.06 0.86 -0.35 0.19 4.64 -1.48 -0.64 113.55 116.84 3gfg h SER 188 Ca 0.49 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.87 3gfg h SER 188 Cb 0.91 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 3gfg h SER 188 CO -0.80 0.51 0.14 0.45 -0.87 0.00 0.00 176.83 176.26 3gfg h HIS 189 N 0.97 0.25 0.00 4.77 3.86 -1.74 0.12 115.15 123.39 3gfg h HIS 189 Ca 0.42 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.45 3gfg h HIS 189 Cb 0.30 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3gfg h HIS 189 CO -0.03 0.12 -0.99 -0.84 0.86 0.00 0.00 177.93 177.05 3gfg h ILE 190 N 0.30 1.51 0.26 2.45 3.07 -1.53 -1.99 117.51 121.58 3gfg h ILE 190 Ca 0.15 -3.18 -0.01 0.00 1.55 0.00 0.00 64.86 63.37 3gfg h ILE 190 Cb 0.11 2.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.41 3gfg h ILE 190 CO -0.14 0.86 -0.13 0.40 -1.05 0.00 0.00 178.15 178.09 3gfg h ILE 191 N 0.00 0.78 -0.86 0.16 2.04 -0.99 -1.76 117.51 116.88 3gfg h ILE 191 Ca -0.03 -0.22 0.18 0.00 1.00 0.00 0.00 64.86 65.79 3gfg h ILE 191 Cb 1.73 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 38.61 3gfg h ILE 191 CO 0.12 0.05 0.38 -0.78 0.00 0.00 0.00 178.15 177.92 3gfg h ASP 192 N -0.46 0.37 -0.45 1.72 3.58 -0.57 -1.35 116.42 119.26 3gfg h ASP 192 Ca -0.04 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 3gfg h ASP 192 Cb 0.35 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3gfg h ASP 192 CO 0.06 0.08 0.22 1.56 -2.88 0.00 0.00 179.24 178.28 3gfg h GLN 193 N 0.47 0.64 -0.78 0.28 4.20 -1.16 -0.71 115.11 118.06 3gfg h GLN 193 Ca 0.50 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 3gfg h GLN 193 Cb 0.86 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3gfg h GLN 193 CO -0.46 0.53 0.45 1.15 -0.67 0.00 0.00 178.83 179.84 3gfg h THR 194 N 0.58 1.22 -0.33 -0.54 2.02 -0.37 -1.16 112.91 114.33 3gfg h THR 194 Ca 0.15 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 3gfg h THR 194 Cb 0.10 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3gfg h THR 194 CO -0.02 0.24 -0.23 -0.07 0.37 0.00 0.00 175.52 175.81 3gfg h LEU 195 N 1.07 0.78 -1.39 2.58 3.38 -1.16 -1.10 115.31 119.47 3gfg h LEU 195 Ca 0.28 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3gfg h LEU 195 Cb -0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3gfg h LEU 195 CO -0.05 1.05 0.45 -0.74 0.09 0.00 0.00 178.44 179.24 3gfg h HIS 196 N 0.51 0.76 0.24 1.13 2.76 -0.72 0.18 115.15 120.02 3gfg h HIS 196 Ca 0.07 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 57.92 3gfg h HIS 196 Cb 0.79 -0.25 0.04 0.00 1.55 0.00 0.00 27.41 29.53 3gfg h HIS 196 CO 0.06 0.43 -1.49 -0.07 -1.30 0.00 0.00 177.93 175.56 3gfg h LEU 197 N 0.78 0.81 -0.07 0.26 3.38 -1.03 -3.41 115.31 116.02 3gfg h LEU 197 Ca 0.28 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3gfg h LEU 197 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3gfg h LEU 197 CO -0.08 1.70 0.00 0.49 0.09 0.00 0.00 178.44 180.63 3gfg n PHE 198 N -3.70 0.00 -4.32 1.13 3.72 -0.43 -5.11 117.46 108.75 3gfg n PHE 198 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3gfg n PHE 198 Cb 1.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.64 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 0.85 -1.57 3.77 1.37 0.00 0.61 -4.89 105.19 105.34 3gfg n GLY 199 Ca 0.00 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 4.25 0.66 1.61 -1.94 -1.26 -4.51 119.30 118.12 3gfg s MET 200 Ca 0.00 1.61 -0.04 0.00 -1.71 0.00 0.00 55.69 55.55 3gfg s MET 200 Cb 0.00 -2.70 0.07 0.00 2.01 0.00 0.00 34.83 34.21 3gfg s MET 200 CO 0.00 -0.08 0.94 -1.25 -0.01 0.00 0.00 175.02 174.62 3gfg s PRO 201 N -2.24 2.18 0.13 2.03 0.04 -1.26 -4.99 135.00 130.89 3gfg s PRO 201 Ca 0.55 -0.55 -0.08 0.00 0.04 0.00 0.00 61.00 60.96 3gfg s PRO 201 Cb -0.25 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 3gfg s PRO 201 CO 0.32 -1.13 1.33 0.87 0.04 0.00 0.00 177.00 178.42 3gfg h LYS 202 N -0.40 0.58 -2.81 4.56 1.79 -0.50 -3.44 116.57 116.35 3gfg h LYS 202 Ca -0.43 -0.52 -0.06 0.00 -2.18 0.00 0.00 60.65 57.46 3gfg h LYS 202 Cb 1.30 0.12 -0.16 0.00 -1.58 0.00 0.00 32.23 31.91 3gfg h LYS 202 CO 0.54 1.15 0.03 0.00 -1.08 0.00 0.00 179.45 180.09 3gfg s ALA 203 N -3.55 -1.30 -0.07 3.86 0.00 -1.22 -1.14 121.76 118.35 3gfg s ALA 203 Ca -0.08 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3gfg s ALA 203 Cb 0.09 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3gfg s ALA 203 CO 0.88 -0.51 -0.25 0.08 0.00 0.00 0.00 175.76 175.96 3gfg s VAL 204 N -2.53 2.03 -0.13 0.00 1.01 0.39 -1.64 120.40 119.53 3gfg s VAL 204 Ca -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3gfg s VAL 204 Cb -0.01 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gfg s VAL 204 CO -0.02 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 3gfg s THR 205 N -0.06 2.09 -0.03 3.92 2.01 -0.85 -0.76 115.64 121.96 3gfg s THR 205 Ca -0.07 -0.98 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 3gfg s THR 205 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.56 3gfg s THR 205 CO 0.05 0.55 0.24 0.00 -0.69 0.00 0.00 174.62 174.76 3gfg s ALA 206 N 0.69 -0.58 -0.23 7.40 0.00 -1.26 0.05 121.76 127.82 3gfg s ALA 206 Ca -0.10 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 3gfg s ALA 206 Cb -0.16 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.92 3gfg s ALA 206 CO 0.01 -0.20 -0.10 1.21 0.00 0.00 0.00 175.76 176.68 3gfg s ASN 207 N -0.88 4.07 -0.25 0.00 2.47 -0.26 -3.15 114.94 116.95 3gfg s ASN 207 Ca -0.10 -0.92 0.02 0.00 0.42 0.00 0.00 52.86 52.29 3gfg s ASN 207 Cb -0.05 -1.60 0.06 0.00 -1.45 0.00 0.00 41.25 38.21 3gfg s ASN 207 CO 0.02 -0.11 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.49 3gfg s VAL 208 N 1.27 2.02 0.29 -5.21 1.01 -1.26 -0.93 120.40 117.58 3gfg s VAL 208 Ca -0.01 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.56 3gfg s VAL 208 Cb -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3gfg s VAL 208 CO -0.06 0.02 0.27 1.15 0.00 0.00 0.00 175.10 176.48 3gfg n MET 209 N 4.50 0.40 -3.82 2.72 0.00 -0.44 -4.96 117.12 115.52 3gfg n MET 209 Ca -0.14 -2.81 -0.36 0.00 0.00 0.00 0.00 57.70 54.40 3gfg n MET 209 Cb 0.43 2.36 -0.12 0.00 0.00 0.00 0.00 33.22 35.89 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 -3.08 3.06 0.11 3.17 0.00 -1.26 -2.13 121.76 121.63 3gfg s ALA 210 Ca 0.33 -2.35 -0.12 0.00 0.00 0.00 0.00 51.96 49.82 3gfg s ALA 210 Cb 0.01 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.75 3gfg s ALA 210 CO 0.23 -1.67 1.37 1.96 0.00 0.00 0.00 175.76 177.66 3gfg h GLN 211 N 8.01 0.83 -7.11 0.00 4.20 -1.90 -3.48 115.11 115.67 3gfg h GLN 211 Ca -0.14 -0.57 -0.51 0.00 0.06 0.00 0.00 58.65 57.49 3gfg h GLN 211 Cb 1.05 0.08 0.09 0.00 0.30 0.00 0.00 27.48 29.00 3gfg h GLN 211 CO 0.65 1.20 0.43 1.03 -0.67 0.00 0.00 178.83 181.46 3gfg s ARG 212 N -4.02 3.18 0.14 1.46 0.52 -1.26 -4.96 118.95 114.01 3gfg s ARG 212 Ca -0.11 1.62 -0.21 0.00 -0.52 0.00 0.00 55.73 56.51 3gfg s ARG 212 Cb 0.09 -1.98 0.02 0.00 0.52 0.00 0.00 34.95 33.60 3gfg s ARG 212 CO 0.89 -0.99 1.65 1.49 0.02 0.00 0.00 175.30 178.36 3gfg h GLU 213 N 0.94 -0.18 -0.39 3.54 4.81 -1.91 -2.85 114.58 118.53 3gfg h GLU 213 Ca -0.50 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.54 3gfg h GLU 213 Cb 1.27 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.56 3gfg h GLU 213 CO 0.56 -0.12 -0.06 0.09 -0.73 0.00 0.00 179.01 178.75 3gfg n ASN 214 N -5.33 2.57 -4.76 1.04 4.13 -1.26 -5.04 115.26 106.61 3gfg n ASN 214 Ca -0.01 -3.80 -0.35 0.00 1.68 0.00 0.00 54.58 52.11 3gfg n ASN 214 Cb 0.25 -0.65 0.03 0.00 -1.54 0.00 0.00 39.78 37.88 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 -3.27 2.53 0.00 5.41 0.00 -1.08 -4.93 121.76 120.42 3gfg s ALA 215 Ca 0.45 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3gfg s ALA 215 Cb 0.41 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3gfg s ALA 215 CO -0.00 -1.13 0.31 -1.91 0.00 0.00 0.00 175.76 173.03 3gfg n GLU 216 N -1.86 0.00 -4.34 0.00 2.13 -1.26 -5.04 120.64 110.27 3gfg n GLU 216 Ca 0.12 -0.31 -0.17 0.00 0.66 0.00 0.00 57.16 57.46 3gfg n GLU 216 Cb 0.51 -0.45 -0.10 0.00 0.27 0.00 0.00 31.44 31.66 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3gfg s THR 217 N 0.00 0.65 0.12 6.31 -4.23 -1.26 -5.09 115.64 112.14 3gfg s THR 217 Ca 0.00 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.20 3gfg s THR 217 Cb 0.00 -2.66 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 3gfg s THR 217 CO 0.00 -0.00 1.61 -0.69 -0.54 0.00 0.00 174.62 175.00 3gfg s VAL 218 N -3.69 2.83 0.00 2.29 1.01 -1.26 -4.59 120.40 117.00 3gfg s VAL 218 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3gfg s VAL 218 Cb 0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3gfg s VAL 218 CO 0.14 0.02 0.49 -0.90 0.00 0.00 0.00 175.10 174.84 3gfg n ASP 219 N 4.81 0.80 -3.76 3.32 5.68 -0.93 -1.14 116.55 125.33 3gfg n ASP 219 Ca 0.15 -1.23 -0.12 0.00 -0.50 0.00 0.00 54.79 53.08 3gfg n ASP 219 Cb 0.39 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.23 -0.30 -0.02 2.11 5.04 -0.90 -2.61 117.35 120.44 3gfg s TYR 220 Ca 0.00 0.73 -0.11 0.00 -2.44 0.00 0.00 57.07 55.24 3gfg s TYR 220 Cb 0.00 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.40 3gfg s TYR 220 CO 0.00 -0.18 0.24 -0.59 -1.34 0.00 0.00 175.55 173.68 3gfg s PHE 221 N 0.68 -0.11 -0.19 4.97 -0.12 -0.31 -1.32 117.98 121.58 3gfg s PHE 221 Ca -0.05 0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 56.96 3gfg s PHE 221 Cb -0.06 0.04 0.08 0.00 -0.63 0.00 0.00 43.02 42.46 3gfg s PHE 221 CO -0.04 -0.32 0.19 -1.58 -0.05 0.00 0.00 175.22 173.42 3gfg s HIS 222 N -1.17 -0.19 -0.11 3.49 2.46 -0.11 -1.70 115.29 117.96 3gfg s HIS 222 Ca -0.12 0.16 0.02 0.00 0.47 0.00 0.00 55.06 55.59 3gfg s HIS 222 Cb -0.06 -0.41 -0.01 0.00 -0.13 0.00 0.00 32.58 31.98 3gfg s HIS 222 CO 0.03 -0.56 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.04 3gfg s LEU 223 N 2.29 2.38 -0.20 8.88 1.02 0.42 -1.10 118.68 132.38 3gfg s LEU 223 Ca 0.06 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.72 3gfg s LEU 223 Cb -0.15 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 3gfg s LEU 223 CO -0.11 0.17 -0.03 -0.89 0.02 0.00 0.00 176.35 175.51 3gfg s THR 224 N 0.29 3.70 -0.34 5.49 2.01 0.11 -0.42 115.64 126.48 3gfg s THR 224 Ca -0.14 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3gfg s THR 224 Cb -0.17 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3gfg s THR 224 CO 0.07 0.44 0.19 -0.76 -0.69 0.00 0.00 174.62 173.87 3gfg s LEU 225 N 1.03 4.39 -0.67 4.42 1.02 0.42 -2.00 118.68 127.29 3gfg s LEU 225 Ca 0.01 -0.64 -0.24 0.00 0.02 0.00 0.00 54.13 53.28 3gfg s LEU 225 Cb -0.15 -2.04 0.06 0.00 0.02 0.00 0.00 46.19 44.08 3gfg s LEU 225 CO 0.01 -0.26 1.05 -0.62 0.02 0.00 0.00 176.35 176.55 3gfg s ASP 226 N 1.62 6.19 -0.35 2.29 2.15 -0.65 -1.79 116.67 126.13 3gfg s ASP 226 Ca 0.04 -0.76 0.09 0.00 0.43 0.00 0.00 52.55 52.35 3gfg s ASP 226 Cb -0.18 -2.46 0.72 0.00 -0.30 0.00 0.00 42.92 40.70 3gfg s ASP 226 CO 0.07 -1.53 1.82 -1.22 -0.17 0.00 0.00 175.17 174.14 3gfg n TYR 227 N 8.15 2.53 0.00 -5.34 4.01 -0.90 0.33 117.16 125.95 3gfg n TYR 227 Ca -0.01 -1.37 0.00 0.00 -0.16 0.00 0.00 57.90 56.35 3gfg n TYR 227 Cb 0.47 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 -0.45 1.57 0.22 2.72 0.00 -1.26 -3.73 105.19 104.26 3gfg n GLY 228 Ca 0.45 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 0.70 -6.43 1.61 3.64 -1.97 -3.41 116.57 110.71 3gfg h LYS 229 Ca 0.00 -0.11 -0.54 0.00 -1.27 0.00 0.00 60.65 58.73 3gfg h LYS 229 Cb 0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3gfg h LYS 229 CO 0.00 0.60 0.58 -1.17 -2.27 0.00 0.00 179.45 177.18 3gfg s LEU 230 N -9.86 4.35 -0.14 5.20 2.96 -1.24 -4.86 118.68 115.09 3gfg s LEU 230 Ca -0.13 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 3gfg s LEU 230 Cb 0.11 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 3gfg s LEU 230 CO 0.76 -0.48 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.06 3gfg s GLN 231 N 1.36 3.27 -0.18 1.98 -1.52 0.32 -2.11 119.66 122.79 3gfg s GLN 231 Ca 0.57 -0.74 -0.04 0.00 -1.95 0.00 0.00 55.36 53.21 3gfg s GLN 231 Cb -0.27 -2.60 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 3gfg s GLN 231 CO 0.27 0.11 -0.03 0.00 -0.25 0.00 0.00 175.29 175.39 3gfg s ALA 232 N 0.59 2.98 -0.19 6.09 0.00 -0.74 -0.88 121.76 129.61 3gfg s ALA 232 Ca -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3gfg s ALA 232 Cb -0.16 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.33 3gfg s ALA 232 CO 0.03 0.01 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 3gfg s ILE 233 N 0.71 2.34 -0.14 0.00 -1.09 -0.09 0.16 121.20 123.09 3gfg s ILE 233 Ca -0.01 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 3gfg s ILE 233 Cb -0.14 -2.01 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 3gfg s ILE 233 CO 0.02 0.50 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.31 3gfg s LEU 234 N 1.32 1.81 0.09 2.97 1.43 0.44 -0.91 118.68 125.83 3gfg s LEU 234 Ca 0.05 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3gfg s LEU 234 Cb -0.13 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 3gfg s LEU 234 CO -0.11 -0.00 0.15 -0.72 0.23 0.00 0.00 176.35 175.90 3gfg s TYR 235 N 1.17 0.26 -0.28 0.29 -0.85 -0.16 -0.44 117.35 117.34 3gfg s TYR 235 Ca -0.01 -0.70 -0.21 0.00 -0.52 0.00 0.00 57.07 55.63 3gfg s TYR 235 Cb -0.14 -0.13 0.13 0.00 0.38 0.00 0.00 41.96 42.20 3gfg s TYR 235 CO -0.06 -0.53 0.97 0.20 -1.52 0.00 0.00 175.55 174.62 3gfg s GLY 236 N -2.89 -0.14 0.37 5.49 0.00 -0.69 -0.53 107.32 108.93 3gfg s GLY 236 Ca 0.07 2.83 0.04 0.00 0.00 0.00 0.00 44.72 47.65 3gfg s GLY 236 CO -0.10 2.18 0.07 -0.32 0.00 0.00 0.00 173.10 174.94 3gfg s GLY 237 N 0.79 2.32 0.00 0.20 0.00 -1.26 -1.16 107.32 108.21 3gfg s GLY 237 Ca -0.03 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.00 3gfg s GLY 237 CO -0.11 -1.86 0.78 1.44 0.00 0.00 0.00 173.10 173.35 3gfg n SER 238 N -0.92 1.61 -2.74 1.64 7.64 -1.07 -1.46 113.62 118.32 3gfg n SER 238 Ca -0.05 -1.51 -0.26 0.00 1.01 0.00 0.00 58.87 58.06 3gfg n SER 238 Cb 0.66 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.13 2.54 -3.86 0.44 5.41 -1.23 -1.05 119.36 121.48 3gfg n ILE 239 Ca 0.01 -5.16 -0.33 0.00 1.00 0.00 0.00 62.75 58.28 3gfg n ILE 239 Cb 0.15 -1.21 -0.12 0.00 -0.71 0.00 0.00 39.64 37.75 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 -4.79 3.04 0.24 1.39 1.01 -0.72 -4.99 120.40 115.58 3gfg s VAL 240 Ca 0.47 -3.09 -0.05 0.00 0.00 0.00 0.00 61.98 59.31 3gfg s VAL 240 Cb 0.34 -3.05 0.22 0.00 0.00 0.00 0.00 36.38 33.89 3gfg s VAL 240 CO -0.15 -0.82 1.71 -0.65 0.00 0.00 0.00 175.10 175.19 3gfg h PRO 241 N 6.81 0.34 -4.34 2.72 0.11 -1.95 -3.35 132.00 132.33 3gfg h PRO 241 Ca -0.05 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.56 3gfg h PRO 241 Cb 0.93 -0.08 -0.34 0.00 0.11 0.00 0.00 31.00 31.62 3gfg h PRO 241 CO 0.69 0.22 -0.80 0.00 -0.21 0.00 0.00 178.00 177.91 3gfg s ALA 242 N -6.03 1.03 0.28 -0.75 0.00 -1.26 -4.95 121.76 110.08 3gfg s ALA 242 Ca -0.13 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3gfg s ALA 242 Cb 0.21 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 3gfg s ALA 242 CO 0.76 0.07 1.06 -0.80 0.00 0.00 0.00 175.76 176.85 3gfg s ASN 243 N 0.75 7.31 0.00 0.00 0.01 -1.26 -5.07 114.94 116.67 3gfg s ASN 243 Ca -0.13 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.20 3gfg s ASN 243 Cb -0.15 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.89 3gfg s ASN 243 CO 0.02 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 3gfg n GLY 244 N 1.17 0.36 3.77 0.66 0.00 -1.26 -4.99 105.19 104.90 3gfg n GLY 244 Ca -0.01 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 3gfg n GLY 244 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gfg s PRO 245 N 0.47 4.02 0.07 1.61 0.01 -1.26 -4.75 135.00 135.16 3gfg s PRO 245 Ca 0.00 2.38 -0.17 0.00 0.01 0.00 0.00 61.00 63.22 3gfg s PRO 245 Cb 0.00 -2.87 -0.11 0.00 0.01 0.00 0.00 34.50 31.53 3gfg s PRO 245 CO 0.00 -0.53 1.38 -0.09 0.01 0.00 0.00 177.00 177.77 3gfg h ARG 246 N 2.84 0.54 -5.29 5.54 2.43 -1.22 -3.40 114.38 115.82 3gfg h ARG 246 Ca -0.50 -0.29 -0.68 0.00 -0.81 0.00 0.00 59.98 57.70 3gfg h ARG 246 Cb 1.24 0.01 -0.32 0.00 -0.42 0.00 0.00 29.97 30.48 3gfg h ARG 246 CO 0.63 0.87 -0.86 0.71 -1.51 0.00 0.00 179.97 179.82 3gfg s TYR 247 N -4.32 2.62 -0.19 2.20 2.02 -0.96 -0.98 117.35 117.75 3gfg s TYR 247 Ca -0.13 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 55.49 3gfg s TYR 247 Cb 0.07 -1.76 0.04 0.00 -0.40 0.00 0.00 41.96 39.91 3gfg s TYR 247 CO 0.79 -0.45 -0.12 -0.65 -1.57 0.00 0.00 175.55 173.55 3gfg s GLN 248 N 0.49 2.21 -0.11 -0.62 -0.21 0.82 -1.99 119.66 120.24 3gfg s GLN 248 Ca -0.14 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.44 3gfg s GLN 248 Cb -0.17 -2.41 0.01 0.00 1.00 0.00 0.00 33.01 31.44 3gfg s GLN 248 CO 0.05 -0.38 -0.20 0.42 -2.12 0.00 0.00 175.29 173.07 3gfg s ILE 249 N 1.38 1.80 -0.08 1.08 1.01 -0.14 0.29 121.20 126.53 3gfg s ILE 249 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3gfg s ILE 249 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3gfg s ILE 249 CO -0.09 0.50 -0.16 -1.00 0.00 0.00 0.00 174.94 174.19 3gfg s HIS 250 N 0.72 1.86 0.00 3.97 3.76 0.06 -0.66 115.29 125.00 3gfg s HIS 250 Ca -0.11 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 3gfg s HIS 250 Cb -0.16 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3gfg s HIS 250 CO 0.02 -0.36 0.00 0.41 -0.85 0.00 0.00 174.74 173.96 3gfg n GLY 251 N 3.82 7.23 0.20 -2.22 0.00 0.42 0.01 105.19 114.65 3gfg n GLY 251 Ca -0.21 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.47 -3.36 116.57 115.44 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 0.33 -0.42 -0.25 -2.00 0.00 0.00 179.45 177.12 3gfg n ASP 253 N -3.74 2.08 -3.80 7.07 10.43 -1.26 -5.00 116.55 122.33 3gfg n ASP 253 Ca -0.01 -0.02 -0.11 0.00 2.57 0.00 0.00 54.79 57.22 3gfg n ASP 253 Cb 0.42 0.45 -0.08 0.00 1.84 0.00 0.00 41.12 43.76 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3gfg s SER 254 N -0.87 -0.06 0.16 -2.24 1.04 -1.26 0.29 113.70 110.77 3gfg s SER 254 Ca 0.00 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.27 3gfg s SER 254 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3gfg s SER 254 CO 0.00 -0.58 -0.21 -0.44 0.98 0.00 0.00 173.24 173.00 3gfg s SER 255 N -2.03 2.88 -0.12 7.02 0.01 -0.19 -0.43 113.70 120.84 3gfg s SER 255 Ca -0.06 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.37 3gfg s SER 255 Cb -0.01 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.07 3gfg s SER 255 CO -0.03 0.03 -0.06 0.12 0.41 0.00 0.00 173.24 173.71 3gfg s PHE 256 N -1.74 1.43 -0.07 2.43 5.36 0.17 -0.93 117.98 124.63 3gfg s PHE 256 Ca 0.15 -0.76 0.03 0.00 -0.96 0.00 0.00 56.93 55.39 3gfg s PHE 256 Cb -0.07 -1.20 -0.02 0.00 -0.34 0.00 0.00 43.02 41.39 3gfg s PHE 256 CO 0.07 -0.52 -0.16 0.42 -1.46 0.00 0.00 175.22 173.57 3gfg s ILE 257 N 1.73 2.86 -0.21 3.12 -1.09 -0.75 -0.97 121.20 125.89 3gfg s ILE 257 Ca 0.04 -0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 57.52 3gfg s ILE 257 Cb -0.13 -2.13 0.06 0.00 -1.58 0.00 0.00 42.46 38.68 3gfg s ILE 257 CO -0.08 0.57 0.55 -0.75 -1.23 0.00 0.00 174.94 174.00 3gfg s LYS 258 N -0.35 0.60 0.37 2.79 2.20 -0.84 -1.12 119.74 123.38 3gfg s LYS 258 Ca 0.03 0.86 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 3gfg s LYS 258 Cb -0.12 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3gfg s LYS 258 CO 0.02 -0.11 0.52 0.71 -0.36 0.00 0.00 175.35 176.14 3gfg s TYR 259 N 0.83 3.08 0.00 4.03 2.02 -1.26 -0.77 117.35 125.28 3gfg s TYR 259 Ca -0.04 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3gfg s TYR 259 Cb -0.05 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 3gfg s TYR 259 CO -0.07 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 3gfg n GLY 260 N -1.76 0.50 3.19 0.71 0.00 -1.26 -4.81 105.19 101.76 3gfg n GLY 260 Ca 0.02 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.09 1.17 0.20 -0.61 2.07 -1.26 -4.78 121.20 115.91 3gfg s ILE 261 Ca 0.00 -1.40 -0.32 0.00 -1.41 0.00 0.00 60.65 57.53 3gfg s ILE 261 Cb 0.00 -1.18 -0.12 0.00 0.13 0.00 0.00 42.46 41.29 3gfg s ILE 261 CO 0.00 -0.26 1.69 -0.62 -1.91 0.00 0.00 174.94 173.84 3gfg s ASP 262 N -1.89 6.41 -0.02 4.50 2.15 -1.26 -4.91 116.67 121.66 3gfg s ASP 262 Ca 0.00 2.83 0.10 0.00 0.43 0.00 0.00 52.55 55.92 3gfg s ASP 262 Cb -0.09 -2.60 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 3gfg s ASP 262 CO 0.02 -0.95 1.23 0.61 -0.17 0.00 0.00 175.17 175.92 3gfg n GLY 263 N 3.86 0.89 0.28 2.66 0.00 -1.26 -4.42 105.19 107.20 3gfg n GLY 263 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 2.01 0.96 -0.28 1.61 4.20 -1.93 -2.18 115.11 119.50 3gfg h GLN 264 Ca 0.00 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 3gfg h GLN 264 Cb 0.59 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3gfg h GLN 264 CO 0.04 1.04 -0.01 0.93 -0.67 0.00 0.00 178.83 180.16 3gfg h GLU 265 N 0.82 0.42 -0.20 1.46 5.08 -2.00 -1.03 114.58 119.14 3gfg h GLU 265 Ca 0.12 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3gfg h GLU 265 Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3gfg h GLU 265 CO 0.05 0.46 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.58 3gfg h ASP 266 N 0.41 0.59 -0.41 1.42 3.32 -1.79 0.24 116.42 120.20 3gfg h ASP 266 Ca 0.09 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 3gfg h ASP 266 Cb 0.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3gfg h ASP 266 CO 0.01 0.99 -0.31 0.00 -1.72 0.00 0.00 179.24 178.21 3gfg h ALA 267 N 1.03 0.59 0.03 3.45 0.00 -1.04 -1.81 119.26 121.50 3gfg h ALA 267 Ca 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gfg h ALA 267 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gfg h ALA 267 CO 0.09 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.90 3gfg h LEU 268 N 0.75 -0.03 -1.54 0.00 3.38 -1.01 -0.68 115.31 116.19 3gfg h LEU 268 Ca 0.08 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3gfg h LEU 268 Cb 0.89 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3gfg h LEU 268 CO 0.08 0.10 0.52 0.03 0.09 0.00 0.00 178.44 179.26 3gfg h ARG 269 N -0.15 0.44 0.00 1.13 3.08 -0.43 0.28 114.38 118.72 3gfg h ARG 269 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gfg h ARG 269 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gfg h ARG 269 CO 0.01 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3gfg n ALA 270 N -2.51 2.60 -1.23 0.04 0.00 -0.69 -4.91 120.51 113.81 3gfg n ALA 270 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gfg n ALA 270 Cb 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.11 0.45 3.93 0.00 0.00 0.99 -5.07 105.19 106.61 3gfg n GLY 271 Ca 0.20 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.48 3.52 0.14 1.61 0.52 -0.29 -5.02 118.95 116.94 3gfg s ARG 272 Ca 0.00 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3gfg s ARG 272 Cb 0.00 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 3gfg s ARG 272 CO 0.00 0.30 -0.10 0.15 0.02 0.00 0.00 175.30 175.68 3gfg s LYS 273 N -3.69 1.02 0.18 3.54 1.02 -1.26 -4.10 119.74 116.46 3gfg s LYS 273 Ca 0.39 -1.43 -0.32 0.00 0.02 0.00 0.00 55.97 54.64 3gfg s LYS 273 Cb -0.10 -0.56 -0.11 0.00 -0.52 0.00 0.00 37.83 36.54 3gfg s LYS 273 CO 0.31 0.06 1.61 -2.14 -0.92 0.00 0.00 175.35 174.27 3gfg s PRO 274 N -3.73 4.19 0.00 -1.68 0.02 -1.26 -4.82 135.00 127.72 3gfg s PRO 274 Ca 0.16 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3gfg s PRO 274 Cb 0.03 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3gfg s PRO 274 CO -0.00 -0.65 0.00 0.39 -0.33 0.00 0.00 177.00 176.41 3gfg n GLU 275 N 3.92 2.98 -3.91 5.54 1.02 -1.26 -4.97 120.64 123.96 3gfg n GLU 275 Ca 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 3gfg n GLU 275 Cb 0.38 -0.25 -0.01 0.00 -0.02 0.00 0.00 31.44 31.54 3gfg n GLU 275 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3gfg s ASP 276 N 0.00 0.24 0.54 1.62 3.84 -1.26 -5.05 116.67 116.60 3gfg s ASP 276 Ca 0.00 -1.17 0.21 0.00 -0.00 0.00 0.00 52.55 51.58 3gfg s ASP 276 Cb 0.00 0.77 1.45 0.00 -1.38 0.00 0.00 42.92 43.76 3gfg s ASP 276 CO 0.00 -1.50 2.18 0.44 -0.00 0.00 0.00 175.17 176.29 3gfg h ASP 277 N 2.05 0.00 1.01 2.11 3.32 -2.03 -2.83 116.42 120.06 3gfg h ASP 277 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3gfg h ASP 277 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3gfg h ASP 277 CO 0.38 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.67 3gfg h SER 278 N 0.00 0.00 -2.72 6.45 4.64 -2.01 -3.44 113.55 116.47 3gfg h SER 278 Ca 0.01 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.75 3gfg h SER 278 Cb 0.04 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.22 3gfg h SER 278 CO -0.00 0.00 0.61 1.87 -0.87 0.00 0.00 176.83 178.44 3gfg n TRP 279 N -2.38 2.17 -0.93 4.77 -0.00 -1.07 -2.30 117.44 117.71 3gfg n TRP 279 Ca 0.03 0.44 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 3gfg n TRP 279 Cb 0.30 -2.46 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 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 2.06 0.66 3.77 5.87 0.00 -1.26 -4.49 105.19 111.79 3gfg n GLY 280 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.53 3.61 0.63 4.61 0.00 -0.97 -0.66 121.76 126.45 3gfg s ALA 281 Ca 0.00 1.55 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 3gfg s ALA 281 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 3gfg s ALA 281 CO 0.00 -1.01 1.00 0.34 0.00 0.00 0.00 175.76 176.09 3gfg s ASP 282 N 0.01 5.82 -0.08 0.00 -1.08 -1.26 -4.76 116.67 115.32 3gfg s ASP 282 Ca 0.55 1.11 -0.19 0.00 -0.52 0.00 0.00 52.55 53.50 3gfg s ASP 282 Cb -0.46 -2.09 -0.04 0.00 -1.46 0.00 0.00 42.92 38.86 3gfg s ASP 282 CO 0.58 -1.04 0.54 -0.69 0.52 0.00 0.00 175.17 175.08 3gfg s VAL 283 N -3.15 5.10 0.42 1.11 1.01 -1.26 -4.98 120.40 118.66 3gfg s VAL 283 Ca 0.55 1.10 0.18 0.00 0.00 0.00 0.00 61.98 63.81 3gfg s VAL 283 Cb -0.11 -3.88 0.38 0.00 0.00 0.00 0.00 36.38 32.78 3gfg s VAL 283 CO 0.50 0.34 1.86 -0.65 0.00 0.00 0.00 175.10 177.15 3gfg h PRO 284 N 6.45 0.38 0.00 2.72 0.11 -1.98 0.40 132.00 140.07 3gfg h PRO 284 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gfg h PRO 284 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gfg h PRO 284 CO 0.74 0.25 0.00 0.93 -0.21 0.00 0.00 178.00 179.71 3gfg h GLU 285 N 0.39 0.00 -0.27 1.05 3.07 -2.02 -2.08 114.58 114.71 3gfg h GLU 285 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3gfg h GLU 285 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3gfg h GLU 285 CO -0.16 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.64 3gfg n PHE 286 N -2.53 0.35 -1.79 4.33 3.72 0.14 -4.97 117.46 116.70 3gfg n PHE 286 Ca -0.01 -0.29 -0.40 0.00 -0.05 0.00 0.00 57.45 56.70 3gfg n PHE 286 Cb 0.13 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3gfg n PHE 286 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3gfg s TYR 287 N -1.09 2.51 0.71 1.38 2.02 -0.79 -4.34 117.35 117.75 3gfg s TYR 287 Ca 0.25 1.20 -0.13 0.00 -0.37 0.00 0.00 57.07 58.01 3gfg s TYR 287 Cb 0.14 -3.99 0.02 0.00 -0.40 0.00 0.00 41.96 37.73 3gfg s TYR 287 CO 0.20 -3.01 1.11 0.20 -1.57 0.00 0.00 175.55 172.48 3gfg s GLY 288 N -0.29 2.01 -0.21 0.71 0.00 -1.24 -4.80 107.32 103.51 3gfg s GLY 288 Ca 0.56 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.73 3gfg s GLY 288 CO 0.61 0.84 -0.04 0.54 0.00 0.00 0.00 173.10 175.04 3gfg s LYS 289 N -4.34 3.43 -0.25 2.90 1.02 -0.28 -0.50 119.74 121.72 3gfg s LYS 289 Ca 0.66 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.94 3gfg s LYS 289 Cb -0.20 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3gfg s LYS 289 CO 0.47 -0.11 0.14 -1.17 -0.92 0.00 0.00 175.35 173.76 3gfg s LEU 290 N 1.26 3.88 -0.22 3.17 2.96 0.13 -1.81 118.68 128.05 3gfg s LEU 290 Ca 0.03 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 3gfg s LEU 290 Cb -0.14 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3gfg s LEU 290 CO -0.01 -0.00 0.06 -0.89 -1.32 0.00 0.00 176.35 174.19 3gfg s THR 291 N 1.44 4.48 -0.07 3.68 2.01 -0.10 -0.48 115.64 126.60 3gfg s THR 291 Ca 0.07 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.98 3gfg s THR 291 Cb -0.15 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 3gfg s THR 291 CO 0.07 0.40 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.29 3gfg s THR 292 N 1.03 2.37 -0.46 -0.82 2.01 -0.20 -1.02 115.64 118.55 3gfg s THR 292 Ca 0.04 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.12 3gfg s THR 292 Cb -0.14 -1.90 0.12 0.00 0.01 0.00 0.00 72.50 70.59 3gfg s THR 292 CO 0.03 0.57 0.20 -0.63 -0.69 0.00 0.00 174.62 174.09 3gfg s ILE 293 N -0.13 2.62 -1.15 1.82 1.01 0.14 -1.62 121.20 123.90 3gfg s ILE 293 Ca -0.04 -2.88 -0.10 0.00 0.00 0.00 0.00 60.65 57.64 3gfg s ILE 293 Cb -0.14 -2.84 0.25 0.00 0.01 0.00 0.00 42.46 39.74 3gfg s ILE 293 CO 0.04 -0.73 1.25 0.54 0.00 0.00 0.00 174.94 176.04 3gfg n ARG 294 N 3.63 3.55 0.00 2.79 3.00 -0.45 -4.84 116.66 124.33 3gfg n ARG 294 Ca 0.04 -4.27 0.00 0.00 -0.01 0.00 0.00 57.85 53.61 3gfg n ARG 294 Cb 0.37 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 30.13 3gfg n ARG 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gfg n GLY 295 N 3.01 1.14 0.00 -0.13 0.00 -1.26 -3.59 105.19 104.35 3gfg n GLY 295 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3gfg n GLY 295 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gfg n SER 296 N 1.44 0.75 -4.63 1.61 3.41 -1.26 -4.98 113.62 109.95 3gfg n SER 296 Ca 0.00 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 3gfg n SER 296 Cb 0.00 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3gfg n SER 296 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gfg s ASP 297 N -0.22 6.75 -0.36 4.04 2.15 -1.24 -5.04 116.67 122.76 3gfg s ASP 297 Ca 0.00 0.87 -0.05 0.00 0.43 0.00 0.00 52.55 53.80 3gfg s ASP 297 Cb 0.00 -2.42 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 3gfg s ASP 297 CO 0.00 -0.55 0.13 -0.75 -0.17 0.00 0.00 175.17 173.82 3gfg s LYS 298 N 2.89 2.44 -0.04 4.34 2.20 -1.26 -1.35 119.74 128.96 3gfg s LYS 298 Ca 0.34 -1.38 0.04 0.00 -0.36 0.00 0.00 55.97 54.60 3gfg s LYS 298 Cb -0.15 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3gfg s LYS 298 CO 0.10 -0.79 -0.14 0.21 -0.36 0.00 0.00 175.35 174.37 3gfg s LYS 299 N 1.31 2.49 -0.10 4.03 2.20 -0.64 -5.00 119.74 124.04 3gfg s LYS 299 Ca 0.00 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 54.95 3gfg s LYS 299 Cb -0.21 -2.38 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3gfg s LYS 299 CO 0.00 0.62 -0.23 0.99 -0.36 0.00 0.00 175.35 176.37 3gfg s THR 300 N -0.75 2.11 -0.04 3.43 2.01 -1.26 -1.03 115.64 120.11 3gfg s THR 300 Ca 0.12 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3gfg s THR 300 Cb -0.11 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.61 3gfg s THR 300 CO 0.01 0.56 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.71 3gfg s GLU 301 N 0.35 1.12 -0.16 4.92 2.12 0.37 -4.96 118.70 122.46 3gfg s GLU 301 Ca -0.18 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.65 3gfg s GLU 301 Cb -0.18 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 3gfg s GLU 301 CO 0.09 0.05 0.61 0.99 -0.54 0.00 0.00 175.26 176.45 3gfg s THR 302 N 0.47 5.06 -0.34 -1.70 2.01 -1.26 0.17 115.64 120.05 3gfg s THR 302 Ca -0.08 1.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.98 3gfg s THR 302 Cb -0.12 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 3gfg s THR 302 CO 0.01 0.18 0.21 -0.63 -0.69 0.00 0.00 174.62 173.70 3gfg s ILE 303 N 1.49 4.94 0.14 1.82 -1.09 0.35 -4.96 121.20 123.88 3gfg s ILE 303 Ca 0.29 -0.44 -0.32 0.00 -2.23 0.00 0.00 60.65 57.96 3gfg s ILE 303 Cb -0.16 -3.59 -0.11 0.00 -1.58 0.00 0.00 42.46 37.02 3gfg s ILE 303 CO 0.12 -0.05 1.80 -2.65 -1.23 0.00 0.00 174.94 172.93 3gfg n PRO 304 N 5.05 2.75 -1.88 2.79 -0.02 -1.26 -3.58 135.00 138.86 3gfg n PRO 304 Ca -0.13 1.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 3gfg n PRO 304 Cb 0.49 -2.88 -0.01 0.00 -0.02 0.00 0.00 33.50 31.07 3gfg n PRO 304 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gfg s SER 305 N 2.33 6.47 0.52 2.55 0.01 -1.26 -5.00 113.70 119.33 3gfg s SER 305 Ca 0.80 2.89 -0.22 0.00 1.31 0.00 0.00 55.95 60.74 3gfg s SER 305 Cb -0.50 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.02 3gfg s SER 305 CO 0.36 -0.81 1.19 0.52 0.41 0.00 0.00 173.24 174.92 3gfg n VAL 306 N 1.50 3.40 -2.33 3.43 0.31 -1.26 -4.75 118.33 118.63 3gfg n VAL 306 Ca 0.05 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.47 3gfg n VAL 306 Cb 0.39 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 3gfg n VAL 306 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3gfg s ASN 307 N -0.91 7.04 0.64 4.52 -0.87 -1.26 -4.50 114.94 119.60 3gfg s ASN 307 Ca 0.70 2.32 -0.18 0.00 -1.57 0.00 0.00 52.86 54.13 3gfg s ASN 307 Cb -0.45 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.15 3gfg s ASN 307 CO 0.51 -0.38 1.29 0.61 -2.57 0.00 0.00 177.10 176.55 3gfg n GLY 308 N 1.92 0.54 2.51 0.66 0.00 0.16 -4.71 105.19 106.28 3gfg n GLY 308 Ca 0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3gfg n GLY 308 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfg n SER 309 N -1.81 -0.68 -0.32 1.61 2.88 -0.25 -4.24 113.62 110.80 3gfg n SER 309 Ca 0.16 -3.20 0.09 0.00 -1.33 0.00 0.00 58.87 54.58 3gfg n SER 309 Cb 0.48 0.59 0.25 0.00 -0.75 0.00 0.00 64.21 64.78 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 2.89 0.92 -1.17 0.66 0.05 -1.89 -1.45 116.97 116.98 3gfg h TYR 310 Ca -0.04 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.19 3gfg h TYR 310 Cb 1.08 -0.27 -0.15 0.00 1.01 0.00 0.00 36.73 38.40 3gfg h TYR 310 CO 0.38 0.25 0.71 -0.07 -1.05 0.00 0.00 178.16 178.37 3gfg h LEU 311 N 0.73 0.31 -1.00 3.88 3.38 -1.96 -1.05 115.31 119.61 3gfg h LEU 311 Ca 0.50 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.79 3gfg h LEU 311 Cb 0.69 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 3gfg h LEU 311 CO -0.35 -0.26 0.62 0.74 0.09 0.00 0.00 178.44 179.28 3gfg h THR 312 N 0.10 0.87 -0.05 0.22 2.02 -1.69 -0.64 112.91 113.74 3gfg h THR 312 Ca 0.82 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.70 3gfg h THR 312 Cb 2.34 -0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 3gfg h THR 312 CO -0.57 0.17 -0.52 0.22 0.37 0.00 0.00 175.52 175.20 3gfg h TYR 313 N 0.94 -1.53 0.00 3.16 3.20 -1.38 0.19 116.97 121.55 3gfg h TYR 313 Ca 0.51 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.40 3gfg h TYR 313 Cb 0.57 0.67 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 3gfg h TYR 313 CO -0.01 -0.55 -0.16 1.88 -1.64 0.00 0.00 178.16 177.68 3gfg h TYR 314 N -0.63 0.00 -0.19 -3.82 0.05 -1.45 0.51 116.97 111.44 3gfg h TYR 314 Ca 0.03 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 3gfg h TYR 314 Cb 0.70 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 3gfg h TYR 314 CO -0.53 0.16 -0.52 0.00 -1.05 0.00 0.00 178.16 176.23 3gfg h ARG 315 N 0.00 0.54 0.00 4.88 3.08 -0.67 -2.24 114.38 119.97 3gfg h ARG 315 Ca -0.00 -0.32 -0.16 0.00 0.07 0.00 0.00 59.98 59.56 3gfg h ARG 315 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3gfg h ARG 315 CO 0.02 0.92 -0.77 0.87 -1.07 0.00 0.00 179.97 179.94 3gfg h LYS 316 N 0.42 0.00 -0.49 0.04 1.57 0.56 -2.65 116.57 116.03 3gfg h LYS 316 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3gfg h LYS 316 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3gfg h LYS 316 CO 0.10 0.77 0.11 0.82 -0.57 0.00 0.00 179.45 180.68 3gfg h ILE 317 N 0.00 1.24 -0.81 1.86 1.08 -0.88 -1.57 117.51 118.44 3gfg h ILE 317 Ca -0.01 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.57 3gfg h ILE 317 Cb 1.43 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 3gfg h ILE 317 CO 0.10 0.31 0.36 0.00 -0.69 0.00 0.00 178.15 178.23 3gfg h ALA 318 N 0.99 1.04 -0.08 1.87 0.00 -1.25 -1.32 119.26 120.51 3gfg h ALA 318 Ca 0.15 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3gfg h ALA 318 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gfg h ALA 318 CO 0.00 0.63 -0.54 0.93 0.00 0.00 0.00 179.25 180.27 3gfg h GLU 319 N 1.15 0.23 -0.34 0.00 5.08 -1.33 -1.71 114.58 117.66 3gfg h GLU 319 Ca 0.27 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3gfg h GLU 319 Cb 0.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3gfg h GLU 319 CO -0.03 0.72 0.06 0.77 -1.00 0.00 0.00 179.01 179.53 3gfg h SER 320 N 0.18 0.53 -0.54 1.42 0.02 -0.90 0.43 113.55 114.69 3gfg h SER 320 Ca 0.00 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 3gfg h SER 320 Cb 1.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3gfg h SER 320 CO 0.08 0.64 0.09 0.40 -1.14 0.00 0.00 176.83 176.91 3gfg h ILE 321 N 0.39 1.25 0.03 3.27 2.04 -1.02 -2.44 117.51 121.02 3gfg h ILE 321 Ca 0.10 -0.96 -0.35 0.00 1.00 0.00 0.00 64.86 64.66 3gfg h ILE 321 Cb 0.34 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3gfg h ILE 321 CO 0.00 0.35 -2.11 0.54 0.00 0.00 0.00 178.15 176.94 3gfg n ARG 322 N -4.23 0.68 0.00 2.37 1.74 -0.67 -4.65 116.66 111.90 3gfg n ARG 322 Ca 0.04 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3gfg n ARG 322 Cb 0.27 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 3gfg n ARG 322 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gfg n GLU 323 N -3.09 -0.51 -1.02 5.56 4.07 0.11 -5.01 120.64 120.75 3gfg n GLU 323 Ca -0.30 -0.32 -0.01 0.00 -0.06 0.00 0.00 57.16 56.47 3gfg n GLU 323 Cb 1.07 -0.82 -0.00 0.00 -0.06 0.00 0.00 31.44 31.63 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gfg n GLY 324 N 0.02 0.47 3.65 8.31 0.00 -0.92 -4.96 105.19 111.76 3gfg n GLY 324 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3gfg n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfg n ALA 325 N 1.01 -0.06 -1.78 4.61 0.00 -1.14 -4.91 120.51 118.24 3gfg n ALA 325 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 3gfg n ALA 325 Cb 0.09 -2.17 -0.00 0.00 0.00 0.00 0.00 19.45 17.37 3gfg n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gfg s ALA 326 N -1.86 3.59 0.54 0.00 0.00 -1.26 -4.26 121.76 118.52 3gfg s ALA 326 Ca 0.74 1.57 -0.21 0.00 0.00 0.00 0.00 51.96 54.07 3gfg s ALA 326 Cb -0.33 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 3gfg s ALA 326 CO 0.49 -1.05 1.27 -0.51 0.00 0.00 0.00 175.76 175.97 3gfg s LEU 327 N -1.94 3.83 0.36 0.00 1.43 -1.26 -4.79 118.68 116.31 3gfg s LEU 327 Ca 0.54 2.56 0.16 0.00 -1.03 0.00 0.00 54.13 56.36 3gfg s LEU 327 Cb -0.47 -4.36 0.68 0.00 0.03 0.00 0.00 46.19 42.07 3gfg s LEU 327 CO 0.62 -1.45 1.75 1.55 0.23 0.00 0.00 176.35 179.05 3gfg h PRO 328 N 1.41 0.00 -3.02 1.29 0.13 -1.89 -3.41 132.00 126.50 3gfg h PRO 328 Ca -0.50 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 3gfg h PRO 328 Cb 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 3gfg h PRO 328 CO 0.57 0.41 -0.54 0.08 -0.23 0.00 0.00 178.00 178.29 3gfg s VAL 329 N -3.78 -0.19 0.31 1.56 1.01 -1.26 -5.09 120.40 112.95 3gfg s VAL 329 Ca -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 3gfg s VAL 329 Cb 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 3gfg s VAL 329 CO 0.70 0.10 0.64 0.42 0.00 0.00 0.00 175.10 176.96 3gfg s THR 330 N 1.77 4.88 0.26 3.92 -4.23 -1.26 -3.94 115.64 117.04 3gfg s THR 330 Ca -0.04 0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.90 3gfg s THR 330 Cb -0.11 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.38 3gfg s THR 330 CO -0.08 -0.27 1.61 0.00 -0.54 0.00 0.00 174.62 175.34 3gfg h ALA 331 N 1.93 0.86 -0.85 3.99 0.00 -1.93 -1.24 119.26 122.01 3gfg h ALA 331 Ca -0.47 0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gfg h ALA 331 Cb 1.18 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3gfg h ALA 331 CO 0.66 -0.45 0.54 1.49 0.00 0.00 0.00 179.25 181.49 3gfg h GLU 332 N 0.06 0.99 -0.65 0.00 4.57 -1.94 0.20 114.58 117.81 3gfg h GLU 332 Ca 0.47 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.53 3gfg h GLU 332 Cb 0.85 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 3gfg h GLU 332 CO -0.77 0.66 0.19 0.93 -1.18 0.00 0.00 179.01 178.83 3gfg h GLU 333 N 1.02 1.02 -0.47 1.92 5.08 -1.73 -1.24 114.58 120.18 3gfg h GLU 333 Ca 0.35 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3gfg h GLU 333 Cb 0.08 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3gfg h GLU 333 CO -0.14 0.90 0.28 0.78 -1.00 0.00 0.00 179.01 179.82 3gfg h GLY 334 N 0.95 0.66 1.23 -3.84 0.00 0.08 -2.47 103.07 99.67 3gfg h GLY 334 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3gfg h GLY 334 CO -0.00 0.18 0.05 -2.22 0.00 0.00 0.00 176.54 174.54 3gfg h ILE 335 N 0.55 1.25 -0.56 2.60 2.04 -0.47 -2.83 117.51 120.10 3gfg h ILE 335 Ca 0.19 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 3gfg h ILE 335 Cb 0.02 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3gfg h ILE 335 CO -0.09 0.37 0.18 0.78 0.00 0.00 0.00 178.15 179.39 3gfg h ASN 336 N 0.88 0.77 -0.74 1.72 2.35 -0.89 -0.52 115.58 119.14 3gfg h ASN 336 Ca 0.17 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3gfg h ASN 336 Cb 0.45 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3gfg h ASN 336 CO 0.02 0.72 0.45 0.58 -1.65 0.00 0.00 177.43 177.56 3gfg h VAL 337 N 0.81 1.21 -0.57 2.81 2.07 -1.21 -2.44 116.25 118.93 3gfg h VAL 337 Ca 0.19 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 3gfg h VAL 337 Cb 0.23 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3gfg h VAL 337 CO -0.01 0.21 -0.05 0.40 0.02 0.00 0.00 177.57 178.14 3gfg h ILE 338 N 1.01 1.27 -0.87 4.57 1.08 -1.27 -2.29 117.51 121.00 3gfg h ILE 338 Ca 0.27 -1.20 0.13 0.00 -0.39 0.00 0.00 64.86 63.66 3gfg h ILE 338 Cb -0.05 0.90 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 3gfg h ILE 338 CO -0.05 0.43 0.56 0.03 -0.69 0.00 0.00 178.15 178.43 3gfg h ARG 339 N 0.92 0.71 -0.11 2.37 3.08 -0.81 0.99 114.38 121.53 3gfg h ARG 339 Ca 0.15 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 3gfg h ARG 339 Cb 0.61 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3gfg h ARG 339 CO 0.04 0.47 -0.75 0.82 -1.07 0.00 0.00 179.97 179.48 3gfg h ILE 340 N 0.73 1.33 0.29 2.04 1.08 -0.98 -1.26 117.51 120.75 3gfg h ILE 340 Ca 0.43 -2.07 -0.01 0.00 -0.39 0.00 0.00 64.86 62.81 3gfg h ILE 340 Cb 0.62 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 3gfg h ILE 340 CO -0.19 0.64 -0.14 0.40 -0.69 0.00 0.00 178.15 178.17 3gfg h ILE 341 N 0.39 0.75 -0.78 -0.67 2.04 -0.75 0.18 117.51 118.67 3gfg h ILE 341 Ca -0.04 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.50 3gfg h ILE 341 Cb 1.35 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 3gfg h ILE 341 CO 0.14 0.08 0.51 -0.33 0.00 0.00 0.00 178.15 178.55 3gfg h GLU 342 N -0.60 0.78 -0.42 2.37 5.08 -0.87 0.22 114.58 121.13 3gfg h GLU 342 Ca -0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3gfg h GLU 342 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gfg h GLU 342 CO 0.07 0.52 -0.04 0.00 -1.00 0.00 0.00 179.01 178.55 3gfg h ALA 343 N 1.59 0.58 -0.17 3.43 0.00 -1.11 -1.50 119.26 122.07 3gfg h ALA 343 Ca 0.34 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gfg h ALA 343 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gfg h ALA 343 CO -0.12 0.40 0.10 0.00 0.00 0.00 0.00 179.25 179.63 3gfg h ALA 344 N 0.88 0.22 -0.69 0.00 0.00 0.83 0.17 119.26 120.66 3gfg h ALA 344 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gfg h ALA 344 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3gfg h ALA 344 CO 0.03 -0.27 0.32 0.52 0.00 0.00 0.00 179.25 179.86 3gfg h MET 345 N 0.20 0.98 -0.29 0.00 2.07 -0.59 -0.76 114.93 116.54 3gfg h MET 345 Ca 0.06 -0.14 -0.08 0.00 -2.07 0.00 0.00 59.70 57.48 3gfg h MET 345 Cb 0.03 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.57 3gfg h MET 345 CO -0.01 0.76 -0.13 1.49 1.07 0.00 0.00 176.91 180.09 3gfg h GLU 346 N 0.98 0.60 -0.26 1.72 4.57 -1.06 -1.90 114.58 119.23 3gfg h GLU 346 Ca 0.24 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3gfg h GLU 346 Cb 0.11 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3gfg h GLU 346 CO -0.03 0.83 -0.08 1.03 -1.18 0.00 0.00 179.01 179.59 3gfg h SER 347 N 0.35 -0.28 -0.36 1.04 0.87 -0.12 0.28 113.55 115.33 3gfg h SER 347 Ca 0.07 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3gfg h SER 347 Cb 0.65 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3gfg h SER 347 CO 0.04 -0.10 0.06 -1.28 -0.53 0.00 0.00 176.83 175.01 3gfg h SER 348 N -0.02 0.64 -0.03 6.23 0.87 -1.10 -0.30 113.55 119.83 3gfg h SER 348 Ca 0.13 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3gfg h SER 348 Cb 0.21 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3gfg h SER 348 CO -0.28 0.67 -0.43 0.50 -0.53 0.00 0.00 176.83 176.76 3gfg h LYS 349 N 0.65 0.34 -0.00 2.24 3.64 -0.89 -3.30 116.57 119.25 3gfg h LYS 349 Ca 0.14 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3gfg h LYS 349 Cb 0.32 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gfg h LYS 349 CO 0.01 1.00 -0.07 0.39 -2.27 0.00 0.00 179.45 178.50 3gfg n GLU 350 N -4.35 0.45 -2.81 1.90 -0.58 0.95 -4.93 120.64 111.27 3gfg n GLU 350 Ca -0.09 -0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.36 3gfg n GLU 350 Cb 0.58 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.95 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 -1.20 -3.22 -4.07 3.49 4.76 -0.15 -4.98 118.16 112.79 3gfg n LYS 351 Ca 0.13 0.77 -0.08 0.00 -2.87 0.00 0.00 58.31 56.26 3gfg n LYS 351 Cb 0.27 -5.49 -0.10 0.00 -1.84 0.00 0.00 35.03 27.87 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 -5.45 0.74 0.05 1.97 1.70 -1.07 -5.05 118.95 111.84 3gfg s ARG 352 Ca 0.18 -1.24 -0.31 0.00 -0.47 0.00 0.00 55.73 53.90 3gfg s ARG 352 Cb -0.09 0.24 -0.07 0.00 -0.57 0.00 0.00 34.95 34.47 3gfg s ARG 352 CO 0.22 -0.18 1.40 0.99 -1.08 0.00 0.00 175.30 176.65 3gfg s THR 353 N -3.95 3.54 -0.23 4.99 2.01 -1.26 -4.50 115.64 116.23 3gfg s THR 353 Ca 0.11 1.02 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 3gfg s THR 353 Cb 0.07 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 3gfg s THR 353 CO -0.07 0.03 0.28 -0.63 -0.69 0.00 0.00 174.62 173.55 3gfg s ILE 354 N 1.86 5.27 0.46 1.82 -1.09 0.06 -4.95 121.20 124.63 3gfg s ILE 354 Ca 0.64 0.43 -0.21 0.00 -2.23 0.00 0.00 60.65 59.28 3gfg s ILE 354 Cb -0.34 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 3gfg s ILE 354 CO 0.28 0.27 1.05 -0.04 -1.23 0.00 0.00 174.94 175.28 3gfg s MET 355 N 1.38 3.87 0.23 2.79 -1.94 -1.26 -0.46 119.30 123.92 3gfg s MET 355 Ca 0.13 1.45 0.08 0.00 -1.71 0.00 0.00 55.69 55.63 3gfg s MET 355 Cb -0.15 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.42 3gfg s MET 355 CO 0.07 -0.38 0.09 -0.51 -0.01 0.00 0.00 175.02 174.28 3gfg s LEU 356 N -3.24 3.53 0.00 -0.03 1.43 -0.29 -4.91 118.68 115.17 3gfg s LEU 356 Ca 0.65 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3gfg s LEU 356 Cb -0.19 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3gfg s LEU 356 CO 0.23 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 176.20