#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg n THR 13 N 0.00 0.13 -2.32 2.12 -2.24 -1.26 -4.95 114.28 105.76 3gfg n THR 13 Ca 0.00 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3gfg n THR 13 Cb 0.00 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.58 3.88 -0.34 2.28 1.01 0.18 -4.79 121.20 124.01 3gfg s ILE 14 Ca 0.80 1.29 -0.22 0.00 0.00 0.00 0.00 60.65 62.51 3gfg s ILE 14 Cb -0.81 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3gfg s ILE 14 CO 0.43 0.03 0.74 -0.54 0.00 0.00 0.00 174.94 175.61 3gfg s LYS 15 N 1.89 3.81 -0.08 2.79 -0.14 -1.26 0.43 119.74 127.17 3gfg s LYS 15 Ca 0.61 0.33 0.02 0.00 -1.36 0.00 0.00 55.97 55.57 3gfg s LYS 15 Cb -0.30 -3.78 -0.02 0.00 -1.68 0.00 0.00 37.83 32.05 3gfg s LYS 15 CO 0.26 -0.76 -0.12 0.08 -0.76 0.00 0.00 175.35 174.05 3gfg s VAL 16 N 2.94 3.22 -0.19 3.17 1.01 0.20 -0.78 120.40 129.97 3gfg s VAL 16 Ca 0.30 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3gfg s VAL 16 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3gfg s VAL 16 CO 0.15 0.57 -0.14 -0.83 0.00 0.00 0.00 175.10 174.85 3gfg s GLY 17 N -0.42 1.47 -0.25 4.51 0.00 -0.55 -0.56 107.32 111.52 3gfg s GLY 17 Ca 0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 44.72 43.51 3gfg s GLY 17 CO 0.02 0.27 0.14 -0.42 0.00 0.00 0.00 173.10 173.11 3gfg s ILE 18 N 1.25 5.03 -0.22 0.90 1.01 0.60 -1.38 121.20 128.39 3gfg s ILE 18 Ca 0.03 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3gfg s ILE 18 Cb -0.14 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 3gfg s ILE 18 CO -0.07 0.33 0.50 -0.76 0.00 0.00 0.00 174.94 174.93 3gfg s LEU 19 N 1.30 4.11 0.03 2.97 1.43 0.15 -0.35 118.68 128.32 3gfg s LEU 19 Ca 0.06 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3gfg s LEU 19 Cb -0.14 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3gfg s LEU 19 CO 0.06 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3gfg n GLY 20 N 4.08 -2.99 2.74 -3.19 0.00 -0.29 -1.53 105.19 104.00 3gfg n GLY 20 Ca -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.17 0.10 0.00 1.61 9.36 -1.26 -4.43 117.16 121.37 3gfg n TYR 21 Ca 0.00 -2.23 0.00 0.00 3.32 0.00 0.00 57.90 58.99 3gfg n TYR 21 Cb 0.01 0.31 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 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 -0.61 0.98 0.33 2.98 0.00 -1.26 -4.38 105.19 103.23 3gfg n GLY 22 Ca 0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.97 0.20 0.99 5.85 -1.97 -1.07 115.31 118.35 3gfg h LEU 23 Ca 0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3gfg h LEU 23 Cb 0.00 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3gfg h LEU 23 CO 0.00 -0.42 -0.45 0.28 -0.34 0.00 0.00 178.44 177.51 3gfg h SER 24 N -0.62 -1.31 0.24 1.25 0.02 -1.94 -1.74 113.55 109.45 3gfg h SER 24 Ca -0.03 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3gfg h SER 24 Cb 0.56 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 3gfg h SER 24 CO -0.09 -0.53 -0.28 1.23 -1.14 0.00 0.00 176.83 176.02 3gfg h GLY 25 N -0.74 -0.60 1.98 -3.77 0.00 -1.77 0.39 103.07 98.56 3gfg h GLY 25 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3gfg h GLY 25 CO -0.21 -0.24 -0.01 1.48 0.00 0.00 0.00 176.54 177.55 3gfg h SER 26 N -0.56 0.00 0.00 0.19 4.64 -1.23 0.39 113.55 116.98 3gfg h SER 26 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gfg h SER 26 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3gfg h SER 26 CO -0.08 0.00 -0.92 0.52 -0.87 0.00 0.00 176.83 175.47 3gfg n VAL 27 N -2.73 0.00 0.50 0.95 0.31 -0.66 -4.48 118.33 112.23 3gfg n VAL 27 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.49 3gfg n VAL 27 Cb 0.49 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 -2.73 0.17 0.04 3.52 3.72 -0.02 -4.57 117.46 117.59 3gfg n PHE 28 Ca 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3gfg n PHE 28 Cb 0.46 -0.38 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.96 0.00 -0.32 1.38 8.25 -0.33 -4.74 115.22 117.49 3gfg n HIS 29 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3gfg n HIS 29 Cb 0.45 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.47 3gfg n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gfg n GLY 30 N 3.42 -2.65 0.28 -1.41 0.00 0.13 -1.84 105.19 103.12 3gfg n GLY 30 Ca -0.01 1.03 0.14 0.00 0.00 0.00 0.00 46.02 47.18 3gfg n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gfg h PRO 31 N 0.00 0.00 0.01 1.61 0.11 -1.81 0.15 132.00 132.07 3gfg h PRO 31 Ca 0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3gfg h PRO 31 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3gfg h PRO 31 CO -0.71 0.07 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.07 3gfg h LEU 32 N 0.00 -0.01 -2.14 2.35 3.38 -1.66 -3.22 115.31 114.01 3gfg h LEU 32 Ca -0.00 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 3gfg h LEU 32 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gfg h LEU 32 CO 0.01 0.65 -0.07 -0.07 0.09 0.00 0.00 178.44 179.05 3gfg h LEU 33 N -0.68 0.00 -0.86 1.67 3.38 -0.86 -2.67 115.31 115.29 3gfg h LEU 33 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3gfg h LEU 33 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3gfg h LEU 33 CO 0.00 0.07 -0.39 -0.78 0.09 0.00 0.00 178.44 177.43 3gfg h ASP 34 N 0.00 0.00 0.19 -0.43 3.58 -1.00 -3.07 116.42 115.68 3gfg h ASP 34 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3gfg h ASP 34 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3gfg h ASP 34 CO 0.01 0.39 -0.55 1.33 -2.88 0.00 0.00 179.24 177.54 3gfg n VAL 35 N -3.51 0.00 -3.36 2.25 0.24 -1.01 -4.79 118.33 108.14 3gfg n VAL 35 Ca -0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 3gfg n VAL 35 Cb 0.53 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.52 3gfg n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gfg s LEU 36 N -2.74 4.85 0.51 1.34 1.43 -1.16 -4.96 118.68 117.95 3gfg s LEU 36 Ca 0.16 -0.66 0.27 0.00 -1.03 0.00 0.00 54.13 52.87 3gfg s LEU 36 Cb 0.18 -2.33 1.37 0.00 0.03 0.00 0.00 46.19 45.44 3gfg s LEU 36 CO 0.66 -0.52 1.90 0.44 0.23 0.00 0.00 176.35 179.06 3gfg h ASP 37 N 8.67 0.11 -0.01 2.29 5.19 -1.87 -2.42 116.42 128.38 3gfg h ASP 37 Ca -0.27 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3gfg h ASP 37 Cb 1.12 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 3gfg h ASP 37 CO 0.77 0.04 0.03 -0.33 -3.12 0.00 0.00 179.24 176.62 3gfg h GLU 38 N 0.11 0.00 -6.24 3.56 3.07 -1.93 -3.44 114.58 109.71 3gfg h GLU 38 Ca 0.41 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.60 3gfg h GLU 38 Cb 1.47 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.22 3gfg h GLU 38 CO -0.05 0.00 -0.68 0.71 -1.40 0.00 0.00 179.01 177.59 3gfg s TYR 39 N -4.28 2.96 -0.20 4.33 2.02 -0.91 0.51 117.35 121.78 3gfg s TYR 39 Ca -0.05 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3gfg s TYR 39 Cb 0.13 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.09 3gfg s TYR 39 CO 0.44 0.41 -0.17 -1.14 -1.57 0.00 0.00 175.55 173.52 3gfg s GLN 40 N -1.49 2.79 -0.73 -0.62 2.00 0.17 -4.80 119.66 116.97 3gfg s GLN 40 Ca 0.18 -0.97 -0.26 0.00 -2.00 0.00 0.00 55.36 52.31 3gfg s GLN 40 Cb -0.11 -2.66 0.04 0.00 0.80 0.00 0.00 33.01 31.08 3gfg s GLN 40 CO 0.09 -0.31 1.21 0.42 -0.50 0.00 0.00 175.29 176.20 3gfg s ILE 41 N 1.24 3.86 -0.15 -2.34 1.09 -1.26 0.62 121.20 124.25 3gfg s ILE 41 Ca 0.01 0.22 -0.27 0.00 -1.10 0.00 0.00 60.65 59.51 3gfg s ILE 41 Cb -0.15 -4.87 -0.24 0.00 -1.06 0.00 0.00 42.46 36.14 3gfg s ILE 41 CO -0.11 -1.77 0.64 0.28 -0.10 0.00 0.00 174.94 173.88 3gfg h SER 42 N 9.92 0.02 -3.90 3.58 0.02 -1.20 -3.40 113.55 118.60 3gfg h SER 42 Ca -0.28 -0.88 -0.33 0.00 -0.84 0.00 0.00 61.79 59.46 3gfg h SER 42 Cb 1.05 -0.01 -0.29 0.00 0.14 0.00 0.00 62.40 63.30 3gfg h SER 42 CO 1.26 1.14 -0.76 -0.54 -1.14 0.00 0.00 176.83 176.79 3gfg s LYS 43 N -2.26 0.46 -0.17 3.45 1.02 -1.14 -0.52 119.74 120.58 3gfg s LYS 43 Ca -0.21 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.58 3gfg s LYS 43 Cb -0.01 -0.45 0.04 0.00 -0.52 0.00 0.00 37.83 36.89 3gfg s LYS 43 CO 0.67 0.11 -0.08 0.42 -0.92 0.00 0.00 175.35 175.55 3gfg s ILE 44 N -0.08 1.31 -0.49 2.17 1.01 -1.05 -0.29 121.20 123.78 3gfg s ILE 44 Ca 0.02 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.68 3gfg s ILE 44 Cb -0.03 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.05 3gfg s ILE 44 CO -0.00 0.21 1.37 -0.32 0.00 0.00 0.00 174.94 176.20 3gfg s MET 45 N 1.55 3.47 0.16 2.79 -2.45 0.52 -2.60 119.30 122.76 3gfg s MET 45 Ca 0.01 0.66 -0.24 0.00 -1.25 0.00 0.00 55.69 54.87 3gfg s MET 45 Cb -0.15 -4.05 0.07 0.00 1.25 0.00 0.00 34.83 31.95 3gfg s MET 45 CO -0.08 -1.71 0.98 -0.08 1.05 0.00 0.00 175.02 175.18 3gfg s THR 46 N 5.56 0.00 -0.45 10.11 -1.32 -0.65 -1.14 115.64 127.76 3gfg s THR 46 Ca 0.55 -0.66 0.12 0.00 -1.21 0.00 0.00 61.69 60.49 3gfg s THR 46 Cb -0.11 -2.19 -0.14 0.00 -1.51 0.00 0.00 72.50 68.55 3gfg s THR 46 CO 0.29 0.00 0.45 -1.54 -2.21 0.00 0.00 174.62 171.61 3gfg n SER 47 N -0.64 0.89 -2.86 8.08 3.41 -1.26 -4.48 113.62 116.76 3gfg n SER 47 Ca -0.06 -0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 57.80 3gfg n SER 47 Cb 0.60 1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 65.63 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 -1.41 1.37 -0.20 4.33 1.74 -1.26 -4.64 116.66 116.60 3gfg n ARG 48 Ca 0.01 -0.98 -0.05 0.00 -0.77 0.00 0.00 57.85 56.07 3gfg n ARG 48 Cb 0.21 -2.14 0.05 0.00 -1.02 0.00 0.00 32.46 29.56 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 3.24 1.08 0.00 0.55 2.02 -2.00 -2.28 112.91 115.52 3gfg h THR 49 Ca 0.29 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 3gfg h THR 49 Cb 0.30 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3gfg h THR 49 CO 1.03 0.13 -0.37 1.05 0.37 0.00 0.00 175.52 177.73 3gfg h GLU 50 N 0.71 0.00 -0.30 6.66 -0.00 -2.01 -2.58 114.58 117.06 3gfg h GLU 50 Ca 0.23 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.53 3gfg h GLU 50 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.74 3gfg h GLU 50 CO -0.09 0.37 -0.06 0.93 -0.00 0.00 0.00 179.01 180.16 3gfg h GLU 51 N 0.00 0.48 0.11 1.06 5.08 -1.80 -3.17 114.58 116.34 3gfg h GLU 51 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3gfg h GLU 51 Cb 0.80 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3gfg h GLU 51 CO 0.05 0.56 -0.05 0.28 -1.00 0.00 0.00 179.01 178.84 3gfg h VAL 52 N 0.45 0.72 -0.90 3.13 2.07 -1.29 -2.89 116.25 117.55 3gfg h VAL 52 Ca 0.09 -1.29 0.36 0.00 0.82 0.00 0.00 66.70 66.68 3gfg h VAL 52 Cb 0.40 1.29 -0.16 0.00 -1.52 0.00 0.00 31.29 31.29 3gfg h VAL 52 CO 0.02 0.22 0.42 1.17 0.02 0.00 0.00 177.57 179.42 3gfg n LYS 53 N -4.84 -0.06 -0.09 1.57 4.81 -1.07 0.73 118.16 119.21 3gfg n LYS 53 Ca -0.06 1.26 -0.12 0.00 -0.87 0.00 0.00 58.31 58.52 3gfg n LYS 53 Cb 0.23 -2.22 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 3gfg n LYS 53 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3gfg h ARG 54 N 0.00 0.54 0.05 1.64 2.43 -1.56 -3.24 114.38 114.24 3gfg h ARG 54 Ca 0.74 -0.21 -0.34 0.00 -0.81 0.00 0.00 59.98 59.36 3gfg h ARG 54 Cb 1.90 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.38 3gfg h ARG 54 CO -0.71 0.75 -1.97 -0.25 -1.51 0.00 0.00 179.97 176.28 3gfg n ASP 55 N -4.50 1.34 -3.43 -3.80 8.00 0.17 -4.72 116.55 109.60 3gfg n ASP 55 Ca -0.03 0.24 -0.27 0.00 0.71 0.00 0.00 54.79 55.43 3gfg n ASP 55 Cb 0.32 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 3gfg n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gfg s PHE 56 N -2.56 0.75 -0.33 1.24 0.08 0.22 -5.01 117.98 112.36 3gfg s PHE 56 Ca -0.15 -1.79 0.26 0.00 0.12 0.00 0.00 56.93 55.38 3gfg s PHE 56 Cb 0.07 -0.87 1.09 0.00 -0.57 0.00 0.00 43.02 42.75 3gfg s PHE 56 CO 0.78 -0.84 1.78 -1.35 -0.10 0.00 0.00 175.22 175.49 3gfg h PRO 57 N 6.56 0.00 -0.49 0.24 0.11 -1.71 -2.04 132.00 134.67 3gfg h PRO 57 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3gfg h PRO 57 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3gfg h PRO 57 CO 0.29 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.83 3gfg n ASP 58 N -2.44 3.61 -4.70 -2.05 8.00 -1.26 -4.93 116.55 112.78 3gfg n ASP 58 Ca 0.02 -1.99 -0.37 0.00 0.71 0.00 0.00 54.79 53.15 3gfg n ASP 58 Cb 0.24 -0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.33 3.55 0.06 2.24 0.00 -0.77 -4.94 121.76 120.57 3gfg s ALA 59 Ca 0.42 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3gfg s ALA 59 Cb 0.23 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 3gfg s ALA 59 CO 0.32 -0.08 1.11 -2.00 0.00 0.00 0.00 175.76 175.11 3gfg s GLU 60 N 0.83 4.50 -0.14 0.00 2.12 0.32 -4.87 118.70 121.45 3gfg s GLU 60 Ca 0.20 1.65 -0.14 0.00 0.36 0.00 0.00 54.97 57.03 3gfg s GLU 60 Cb -0.14 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 3gfg s GLU 60 CO 0.07 -0.14 0.33 0.08 -0.54 0.00 0.00 175.26 175.06 3gfg s VAL 61 N 0.86 5.28 0.14 3.70 1.01 -1.26 -2.54 120.40 127.59 3gfg s VAL 61 Ca 0.55 0.62 0.09 0.00 0.00 0.00 0.00 61.98 63.24 3gfg s VAL 61 Cb -0.27 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3gfg s VAL 61 CO 0.29 0.39 -0.20 0.68 0.00 0.00 0.00 175.10 176.27 3gfg s VAL 62 N 0.39 1.83 -0.08 2.92 -7.23 -1.07 -4.97 120.40 112.18 3gfg s VAL 62 Ca 0.18 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3gfg s VAL 62 Cb -0.13 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 3gfg s VAL 62 CO 0.05 -0.17 0.18 1.41 -0.31 0.00 0.00 175.10 176.26 3gfg n HIS 63 N 0.65 0.00 -4.56 2.82 8.25 -1.26 -1.64 115.22 119.48 3gfg n HIS 63 Ca -0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 3gfg n HIS 63 Cb 0.55 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.85 3.46 0.27 -0.41 2.56 -1.26 -4.93 118.70 117.55 3gfg s GLU 64 Ca 0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 54.97 54.34 3gfg s GLU 64 Cb 0.01 -2.75 0.62 0.00 2.00 0.00 0.00 34.13 34.01 3gfg s GLU 64 CO 0.04 0.17 1.68 1.25 -0.56 0.00 0.00 175.26 177.84 3gfg h LEU 65 N 6.89 0.12 0.00 2.70 5.85 -2.00 -2.31 115.31 126.55 3gfg h LEU 65 Ca -0.29 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3gfg h LEU 65 Cb 1.20 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3gfg h LEU 65 CO 0.58 -0.05 0.00 -0.62 -0.34 0.00 0.00 178.44 178.01 3gfg n GLU 66 N -5.13 0.01 0.09 1.25 4.71 -1.26 -0.66 120.64 119.65 3gfg n GLU 66 Ca 0.19 0.39 0.13 0.00 -0.01 0.00 0.00 57.16 57.85 3gfg n GLU 66 Cb 0.58 -1.50 0.31 0.00 -1.01 0.00 0.00 31.44 29.82 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 -1.79 -2.89 114.58 118.48 3gfg h GLU 67 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 3gfg h GLU 67 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3gfg h GLU 67 CO 0.00 0.00 -2.31 -0.89 -1.00 0.00 0.00 179.01 174.81 3gfg n ILE 68 N -2.26 1.53 -0.15 3.13 5.41 0.16 -4.17 119.36 123.02 3gfg n ILE 68 Ca 0.05 -0.35 -0.07 0.00 1.00 0.00 0.00 62.75 63.38 3gfg n ILE 68 Cb 0.44 -1.87 0.09 0.00 -0.71 0.00 0.00 39.64 37.60 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 -0.89 1.26 -1.03 1.39 1.35 -1.59 -2.65 112.91 110.75 3gfg h THR 69 Ca -0.63 -1.13 -0.65 0.00 -0.55 0.00 0.00 66.41 63.45 3gfg h THR 69 Cb 1.60 0.90 -0.33 0.00 -1.73 0.00 0.00 68.15 68.60 3gfg h THR 69 CO -0.35 0.40 0.42 -0.46 -0.25 0.00 0.00 175.52 175.28 3gfg n ASN 70 N -4.18 6.92 -4.52 5.36 6.94 -1.09 -4.80 115.26 119.90 3gfg n ASN 70 Ca 0.02 -3.78 -0.43 0.00 -0.02 0.00 0.00 54.58 50.37 3gfg n ASN 70 Cb 0.35 -0.81 -0.06 0.00 -2.36 0.00 0.00 39.78 36.89 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gfg s ASP 71 N -2.27 6.33 0.44 0.53 -1.08 -1.00 -4.97 116.67 114.65 3gfg s ASP 71 Ca 0.60 -0.35 0.24 0.00 -0.52 0.00 0.00 52.55 52.52 3gfg s ASP 71 Cb 0.48 -2.33 1.25 0.00 -1.46 0.00 0.00 42.92 40.85 3gfg s ASP 71 CO -0.03 -0.82 1.78 1.55 0.52 0.00 0.00 175.17 178.17 3gfg h PRO 72 N 8.91 0.26 -0.07 4.34 0.13 -1.89 -2.92 132.00 140.76 3gfg h PRO 72 Ca -0.25 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 3gfg h PRO 72 Cb 1.09 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3gfg h PRO 72 CO 0.91 0.17 -0.72 0.00 -0.23 0.00 0.00 178.00 178.13 3gfg h ALA 73 N 1.56 0.62 -2.81 -0.56 0.00 -1.95 -3.45 119.26 112.68 3gfg h ALA 73 Ca 0.59 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 3gfg h ALA 73 Cb 1.74 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 19.54 3gfg h ALA 73 CO -0.21 0.77 0.80 0.42 0.00 0.00 0.00 179.25 181.03 3gfg s ILE 74 N -3.61 2.34 -0.10 0.00 -1.09 -1.10 -4.67 121.20 112.97 3gfg s ILE 74 Ca -0.05 0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3gfg s ILE 74 Cb 0.11 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 3gfg s ILE 74 CO 0.83 0.05 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.87 3gfg n GLU 75 N 1.87 0.23 -5.09 2.79 1.02 0.04 -4.91 120.64 116.59 3gfg n GLU 75 Ca 0.06 0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 3gfg n GLU 75 Cb 0.39 -1.05 -0.17 0.00 -0.02 0.00 0.00 31.44 30.60 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 -6.01 2.00 -0.14 -4.62 2.96 -0.91 -1.01 118.68 110.94 3gfg s LEU 76 Ca -0.14 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3gfg s LEU 76 Cb 0.04 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 3gfg s LEU 76 CO 0.20 0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.61 3gfg s VAL 77 N 0.29 3.47 -0.32 1.68 1.01 0.39 -1.48 120.40 125.44 3gfg s VAL 77 Ca -0.15 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 3gfg s VAL 77 Cb -0.16 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3gfg s VAL 77 CO 0.07 0.51 0.31 -0.63 0.00 0.00 0.00 175.10 175.36 3gfg s ILE 78 N 0.35 5.22 -0.46 2.22 -1.09 -0.48 -1.27 121.20 125.69 3gfg s ILE 78 Ca -0.08 0.07 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 3gfg s ILE 78 Cb -0.15 -3.74 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 3gfg s ILE 78 CO 0.04 0.00 0.68 -0.69 -1.23 0.00 0.00 174.94 173.74 3gfg s VAL 79 N 1.92 4.78 0.00 2.92 1.01 0.04 -0.67 120.40 130.41 3gfg s VAL 79 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3gfg s VAL 79 Cb -0.17 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3gfg s VAL 79 CO 0.11 -0.69 0.83 0.35 0.00 0.00 0.00 175.10 175.71 3gfg n THR 80 N 5.86 0.69 -0.57 3.92 -2.24 -0.58 -2.07 114.28 119.29 3gfg n THR 80 Ca -0.02 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 3gfg n THR 80 Cb 0.47 0.68 0.21 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.34 0.00 -1.50 4.28 -2.24 -1.18 -4.79 114.28 108.50 3gfg n THR 81 Ca 0.00 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 3gfg n THR 81 Cb 0.29 -0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -4.59 0.81 -0.34 -0.78 -0.02 -1.26 -4.73 135.00 124.08 3gfg n PRO 82 Ca 0.07 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3gfg n PRO 82 Cb 0.53 -1.60 0.26 0.00 -0.02 0.00 0.00 33.50 32.67 3gfg n PRO 82 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gfg h SER 83 N 1.26 -0.55 0.00 2.55 0.87 -1.95 0.37 113.55 116.10 3gfg h SER 83 Ca -0.39 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3gfg h SER 83 Cb 1.38 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 3gfg h SER 83 CO 0.56 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 3gfg n GLY 84 N -1.51 -0.39 0.00 5.77 0.00 -1.26 -2.45 105.19 105.35 3gfg n GLY 84 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.72 0.60 -0.17 0.99 4.32 0.12 -4.80 117.00 117.34 3gfg n LEU 85 Ca 0.04 -0.73 -0.03 0.00 -0.02 0.00 0.00 56.01 55.27 3gfg n LEU 85 Cb 0.02 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.86 3gfg n LEU 85 CO 0.03 0.15 0.77 0.45 -1.22 0.00 0.00 177.39 177.57 3gfg h HIS 86 N 0.00 -0.25 -0.21 -1.77 3.86 -1.49 -2.22 115.15 113.06 3gfg h HIS 86 Ca 0.00 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3gfg h HIS 86 Cb 0.05 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3gfg h HIS 86 CO 0.00 -0.21 0.13 -0.92 0.86 0.00 0.00 177.93 177.79 3gfg h TYR 87 N 0.01 0.28 -0.47 2.45 3.20 -1.86 0.85 116.97 121.43 3gfg h TYR 87 Ca 0.25 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3gfg h TYR 87 Cb 0.38 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3gfg h TYR 87 CO -0.42 0.21 -0.02 0.93 -1.64 0.00 0.00 178.16 177.22 3gfg h GLU 88 N 0.26 0.84 -0.08 1.82 5.08 -1.87 -2.14 114.58 118.49 3gfg h GLU 88 Ca 0.08 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3gfg h GLU 88 Cb 0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gfg h GLU 88 CO -0.01 0.90 -0.23 0.45 -1.00 0.00 0.00 179.01 179.11 3gfg h HIS 89 N 0.69 0.40 -0.39 4.33 3.86 -1.31 -2.41 115.15 120.32 3gfg h HIS 89 Ca 0.13 -0.16 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3gfg h HIS 89 Cb 0.53 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3gfg h HIS 89 CO 0.04 0.85 0.17 1.15 0.86 0.00 0.00 177.93 180.99 3gfg h THR 90 N -0.17 0.93 -0.18 2.45 2.02 -0.86 -0.89 112.91 116.21 3gfg h THR 90 Ca -0.00 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3gfg h THR 90 Cb 0.84 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3gfg h THR 90 CO 0.05 0.06 -0.11 -0.03 0.37 0.00 0.00 175.52 175.86 3gfg h MET 91 N 0.35 0.29 -0.08 6.66 -1.53 -1.43 0.18 114.93 119.36 3gfg h MET 91 Ca 0.17 -0.07 -0.16 0.00 -3.44 0.00 0.00 59.70 56.20 3gfg h MET 91 Cb 0.12 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 3gfg h MET 91 CO -0.15 0.41 -0.66 0.00 0.14 0.00 0.00 176.91 176.66 3gfg h ALA 92 N 1.61 0.72 -0.42 0.39 0.00 -0.89 -1.89 119.26 118.79 3gfg h ALA 92 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3gfg h ALA 92 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3gfg h ALA 92 CO 0.02 0.75 0.02 0.00 0.00 0.00 0.00 179.25 180.03 3gfg h ILE 94 N 0.57 1.25 0.00 0.00 2.04 -0.65 -1.11 117.51 119.62 3gfg h ILE 94 Ca 0.12 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 3gfg h ILE 94 Cb 0.46 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3gfg h ILE 94 CO 0.02 0.28 -0.01 1.56 0.00 0.00 0.00 178.15 180.00 3gfg h GLN 95 N 0.22 0.00 -0.00 2.37 1.08 -1.33 -1.49 115.11 115.96 3gfg h GLN 95 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3gfg h GLN 95 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3gfg h GLN 95 CO 0.01 0.01 -0.43 0.00 -0.95 0.00 0.00 178.83 177.47 3gfg n ALA 96 N -2.15 3.41 -0.69 3.87 0.00 -0.89 -4.94 120.51 119.13 3gfg n ALA 96 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3gfg n ALA 96 Cb 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.46 0.85 3.88 0.00 0.00 -0.56 -4.94 105.19 105.87 3gfg n GLY 97 Ca 0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.55 3.70 0.32 1.61 -0.14 -0.46 -5.00 119.74 118.23 3gfg s LYS 98 Ca 0.00 0.07 -0.27 0.00 -1.36 0.00 0.00 55.97 54.41 3gfg s LYS 98 Cb 0.00 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 33.16 3gfg s LYS 98 CO 0.00 0.50 1.02 -1.01 -0.76 0.00 0.00 175.35 175.10 3gfg s HIS 99 N -1.55 3.58 -0.06 3.18 3.76 -0.18 -4.35 115.29 119.67 3gfg s HIS 99 Ca 0.38 1.74 0.03 0.00 -0.15 0.00 0.00 55.06 57.06 3gfg s HIS 99 Cb -0.13 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.47 3gfg s HIS 99 CO 0.21 -0.22 -0.17 0.08 -0.85 0.00 0.00 174.74 173.79 3gfg s VAL 100 N -1.43 1.43 -0.25 -0.90 1.01 -0.03 -0.46 120.40 119.77 3gfg s VAL 100 Ca 0.50 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3gfg s VAL 100 Cb -0.25 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3gfg s VAL 100 CO 0.31 0.42 0.10 -0.69 0.00 0.00 0.00 175.10 175.23 3gfg s VAL 101 N 0.33 4.61 -0.19 2.92 1.01 -0.39 -1.49 120.40 127.19 3gfg s VAL 101 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3gfg s VAL 101 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3gfg s VAL 101 CO 0.04 0.34 0.06 -0.04 0.00 0.00 0.00 175.10 175.50 3gfg s MET 102 N 1.46 3.94 0.57 2.72 -1.94 0.13 -0.78 119.30 125.41 3gfg s MET 102 Ca 0.06 -0.36 -0.21 0.00 -1.71 0.00 0.00 55.69 53.47 3gfg s MET 102 Cb -0.15 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 3gfg s MET 102 CO 0.05 0.22 1.26 0.39 -0.01 0.00 0.00 175.02 176.93 3gfg n GLU 103 N 3.71 1.42 -1.98 2.03 -0.58 -0.88 0.34 120.64 124.70 3gfg n GLU 103 Ca -0.16 0.53 -0.31 0.00 -0.42 0.00 0.00 57.16 56.79 3gfg n GLU 103 Cb 0.52 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 3gfg n GLU 103 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3gfg s LYS 104 N -2.92 3.66 0.37 3.49 0.00 -1.26 -4.04 119.74 119.04 3gfg s LYS 104 Ca 0.74 0.80 -0.27 0.00 0.00 0.00 0.00 55.97 57.24 3gfg s LYS 104 Cb -0.42 -2.09 -0.09 0.00 0.00 0.00 0.00 37.83 35.23 3gfg s LYS 104 CO 0.47 -0.52 1.29 -1.25 0.00 0.00 0.00 175.35 175.35 3gfg s PRO 105 N -4.94 4.17 0.07 1.78 0.04 -1.26 -5.03 135.00 129.82 3gfg s PRO 105 Ca 0.56 2.15 -0.17 0.00 0.04 0.00 0.00 61.00 63.58 3gfg s PRO 105 Cb -0.11 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.47 3gfg s PRO 105 CO 0.49 -0.32 1.28 1.98 0.04 0.00 0.00 177.00 180.46 3gfg h MET 106 N 3.02 -0.19 -4.09 4.56 4.05 -1.89 -3.46 114.93 116.93 3gfg h MET 106 Ca -0.49 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 58.72 3gfg h MET 106 Cb 1.24 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.98 3gfg h MET 106 CO 0.64 -0.12 -0.24 0.95 0.23 0.00 0.00 176.91 178.36 3gfg s THR 107 N -4.34 0.00 0.20 -0.77 -4.23 -1.26 -4.77 115.64 100.47 3gfg s THR 107 Ca -0.07 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3gfg s THR 107 Cb 0.04 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.29 3gfg s THR 107 CO 0.31 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.86 3gfg h ALA 108 N 2.22 0.67 -4.03 3.99 0.00 -1.92 -3.47 119.26 116.72 3gfg h ALA 108 Ca -0.29 -0.62 -0.46 0.00 0.00 0.00 0.00 54.91 53.55 3gfg h ALA 108 Cb 1.24 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.68 3gfg h ALA 108 CO 0.40 0.79 -0.80 0.95 0.00 0.00 0.00 179.25 180.59 3gfg s THR 109 N -3.55 1.04 0.25 0.00 -4.23 -1.26 -4.87 115.64 103.03 3gfg s THR 109 Ca -0.04 -0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.74 3gfg s THR 109 Cb 0.11 -0.90 0.23 0.00 1.34 0.00 0.00 72.50 73.28 3gfg s THR 109 CO 0.82 0.20 1.70 0.00 -0.54 0.00 0.00 174.62 176.80 3gfg h ALA 110 N 5.54 1.03 -0.96 3.99 0.00 -1.89 -1.96 119.26 125.01 3gfg h ALA 110 Ca -0.35 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3gfg h ALA 110 Cb 1.17 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3gfg h ALA 110 CO 0.47 -0.29 0.62 1.49 0.00 0.00 0.00 179.25 181.55 3gfg h GLU 111 N 0.35 1.11 -0.29 0.00 4.81 -1.98 0.41 114.58 118.99 3gfg h GLU 111 Ca 0.42 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 3gfg h GLU 111 Cb 0.70 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3gfg h GLU 111 CO -0.47 0.73 0.03 0.93 -0.73 0.00 0.00 179.01 179.51 3gfg h GLU 112 N 1.14 0.50 -0.29 1.92 5.08 -1.81 -2.23 114.58 118.89 3gfg h GLU 112 Ca 0.40 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 3gfg h GLU 112 Cb 0.12 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 3gfg h GLU 112 CO -0.15 0.61 -0.42 0.78 -1.00 0.00 0.00 179.01 178.84 3gfg h GLY 113 N 0.31 -0.61 1.43 -3.84 0.00 -0.34 -2.06 103.07 97.96 3gfg h GLY 113 Ca 0.09 0.53 0.08 0.00 0.00 0.00 0.00 47.33 48.02 3gfg h GLY 113 CO 0.01 -0.20 0.22 0.83 0.00 0.00 0.00 176.54 177.40 3gfg h GLU 114 N -0.39 0.07 0.05 4.80 4.39 -0.17 -2.12 114.58 121.20 3gfg h GLU 114 Ca 0.11 -0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.57 3gfg h GLU 114 Cb 0.60 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3gfg h GLU 114 CO -0.50 0.04 -1.05 1.15 -1.16 0.00 0.00 179.01 177.49 3gfg h THR 115 N 0.07 1.51 -0.27 1.13 2.02 -0.78 -1.76 112.91 114.82 3gfg h THR 115 Ca 0.14 -2.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.39 3gfg h THR 115 Cb 0.48 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 3gfg h THR 115 CO -0.01 0.84 -0.06 -0.07 0.37 0.00 0.00 175.52 176.59 3gfg h LEU 116 N 0.10 0.52 -0.22 2.58 3.38 -0.82 -2.36 115.31 118.48 3gfg h LEU 116 Ca -0.08 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3gfg h LEU 116 Cb 1.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3gfg h LEU 116 CO 0.17 0.76 0.14 0.50 0.09 0.00 0.00 178.44 180.09 3gfg h LYS 117 N 0.27 0.30 -0.99 1.13 3.64 -1.37 -0.27 116.57 119.29 3gfg h LYS 117 Ca 0.07 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3gfg h LYS 117 Cb 0.53 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 3gfg h LYS 117 CO 0.03 0.25 0.65 0.00 -2.27 0.00 0.00 179.45 178.10 3gfg h ARG 118 N 0.28 1.22 -0.43 1.90 3.08 -1.36 -1.03 114.38 118.03 3gfg h ARG 118 Ca 0.08 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3gfg h ARG 118 Cb 0.02 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3gfg h ARG 118 CO -0.02 0.81 -0.11 0.00 -1.07 0.00 0.00 179.97 179.58 3gfg h ALA 119 N 1.42 0.60 -0.87 0.04 0.00 -1.04 -0.60 119.26 118.81 3gfg h ALA 119 Ca 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gfg h ALA 119 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3gfg h ALA 119 CO -0.12 0.49 0.43 0.00 0.00 0.00 0.00 179.25 180.05 3gfg h ALA 120 N 0.86 1.12 -0.28 0.00 0.00 -0.81 -1.25 119.26 118.90 3gfg h ALA 120 Ca 0.11 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3gfg h ALA 120 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gfg h ALA 120 CO 0.04 0.67 -0.42 -0.44 0.00 0.00 0.00 179.25 179.10 3gfg h ASP 121 N 1.23 0.74 -0.10 0.00 3.32 -1.04 0.92 116.42 121.49 3gfg h ASP 121 Ca 0.30 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3gfg h ASP 121 Cb 0.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3gfg h ASP 121 CO -0.04 1.06 0.05 -0.08 -1.72 0.00 0.00 179.24 178.51 3gfg h GLU 122 N 0.56 0.14 0.00 3.56 4.57 -0.91 -3.07 114.58 119.43 3gfg h GLU 122 Ca 0.04 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 3gfg h GLU 122 Cb 0.96 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3gfg h GLU 122 CO 0.09 0.22 -0.35 -0.22 -1.18 0.00 0.00 179.01 177.56 3gfg h LYS 123 N 0.03 0.00 -2.80 1.92 1.63 -1.20 -3.48 116.57 112.67 3gfg h LYS 123 Ca 0.03 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 3gfg h LYS 123 Cb 0.12 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 31.80 3gfg h LYS 123 CO -0.00 0.35 -0.19 0.41 -3.45 0.00 0.00 179.45 176.56 3gfg n GLY 124 N 0.59 0.30 3.43 5.01 0.00 0.17 -5.04 105.19 109.64 3gfg n GLY 124 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.09 2.26 0.15 1.61 -7.23 -0.31 -5.03 120.40 108.76 3gfg s VAL 125 Ca 0.03 -2.34 -0.30 0.00 -1.81 0.00 0.00 61.98 57.56 3gfg s VAL 125 Cb -0.01 -2.22 -0.07 0.00 0.56 0.00 0.00 36.38 34.64 3gfg s VAL 125 CO 0.19 -0.45 0.95 -0.76 -0.31 0.00 0.00 175.10 174.73 3gfg s LEU 126 N -3.42 4.55 -0.07 1.32 1.43 -1.26 -4.55 118.68 116.67 3gfg s LEU 126 Ca 0.27 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 3gfg s LEU 126 Cb -0.04 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.62 3gfg s LEU 126 CO 0.12 0.01 -0.00 -0.22 0.23 0.00 0.00 176.35 176.49 3gfg s LEU 127 N -0.41 0.65 0.11 1.79 2.96 -1.26 -0.85 118.68 121.67 3gfg s LEU 127 Ca 0.45 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3gfg s LEU 127 Cb -0.24 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3gfg s LEU 127 CO 0.30 -0.18 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.53 3gfg s SER 128 N 1.92 1.27 0.08 3.68 0.15 -0.56 -3.17 113.70 117.07 3gfg s SER 128 Ca 0.05 -1.02 0.09 0.00 0.70 0.00 0.00 55.95 55.77 3gfg s SER 128 Cb -0.12 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 3gfg s SER 128 CO -0.05 -0.45 -0.22 -0.69 1.20 0.00 0.00 173.24 173.03 3gfg s VAL 129 N -3.57 2.52 -1.47 4.45 1.01 -1.26 -0.69 120.40 121.40 3gfg s VAL 129 Ca 0.13 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 3gfg s VAL 129 Cb 0.05 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.37 3gfg s VAL 129 CO -0.03 0.23 2.60 0.00 0.00 0.00 0.00 175.10 177.89 3gfg n TYR 130 N 1.27 2.62 -2.12 5.22 9.36 0.15 -4.75 117.16 128.91 3gfg n TYR 130 Ca -0.17 -2.96 -0.42 0.00 3.32 0.00 0.00 57.90 57.68 3gfg n TYR 130 Cb 0.52 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 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 3.05 3.08 0.94 2.98 8.25 -1.26 -4.46 115.22 127.81 3gfg n HIS 131 Ca 0.67 -2.85 0.13 0.00 -0.26 0.00 0.00 57.72 55.42 3gfg n HIS 131 Cb 0.26 -2.13 0.58 0.00 1.12 0.00 0.00 29.99 29.82 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 4.42 0.00 0.00 0.41 6.94 -1.26 -3.37 115.26 122.41 3gfg n ASN 132 Ca 0.45 0.48 0.02 0.00 -0.02 0.00 0.00 54.58 55.51 3gfg n ASN 132 Cb 0.36 -0.49 0.09 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.49 0.00 0.17 -3.83 3.00 -1.26 -0.71 116.66 112.54 3gfg n ARG 133 Ca 0.07 0.42 0.13 0.00 -0.01 0.00 0.00 57.85 58.46 3gfg n ARG 133 Cb 0.31 -1.50 0.57 0.00 0.00 0.00 0.00 32.46 31.85 3gfg n ARG 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gfg h ARG 134 N 0.00 0.00 -0.26 5.56 3.08 -1.91 -2.48 114.38 118.37 3gfg h ARG 134 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gfg h ARG 134 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gfg h ARG 134 CO 0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3gfg n TRP 135 N -2.43 0.71 -2.06 3.04 8.01 0.11 -4.47 117.44 120.35 3gfg n TRP 135 Ca 0.01 -0.76 -0.40 0.00 -1.31 0.00 0.00 57.50 55.04 3gfg n TRP 135 Cb 0.21 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.31 29.28 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 -1.69 6.49 0.15 -0.99 1.11 -0.94 -0.24 116.67 120.58 3gfg s ASP 136 Ca 0.34 2.69 -0.20 0.00 0.18 0.00 0.00 52.55 55.56 3gfg s ASP 136 Cb 0.26 -2.64 0.05 0.00 1.07 0.00 0.00 42.92 41.66 3gfg s ASP 136 CO 0.10 -0.73 1.65 -0.55 1.18 0.00 0.00 175.17 176.82 3gfg h ASN 137 N 2.97 -0.59 -0.92 0.27 7.08 -1.79 0.73 115.58 123.33 3gfg h ASN 137 Ca -0.49 0.13 0.05 0.00 -3.08 0.00 0.00 56.30 52.90 3gfg h ASN 137 Cb 1.24 0.31 -0.06 0.00 -2.08 0.00 0.00 38.32 37.73 3gfg h ASN 137 CO 0.64 -0.21 0.59 -2.24 -2.08 0.00 0.00 177.43 174.12 3gfg h ASP 138 N -0.15 0.96 -0.10 6.14 3.04 -1.94 -0.67 116.42 123.70 3gfg h ASP 138 Ca 0.16 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.90 3gfg h ASP 138 Cb 0.38 -0.20 -0.00 0.00 -1.04 0.00 0.00 39.33 38.47 3gfg h ASP 138 CO -0.38 0.63 -0.13 0.15 -2.04 0.00 0.00 179.24 177.47 3gfg h PHE 139 N 1.10 0.33 -0.22 4.15 3.57 -1.66 -1.21 116.94 123.00 3gfg h PHE 139 Ca 0.38 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.84 3gfg h PHE 139 Cb 0.09 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3gfg h PHE 139 CO -0.02 0.72 0.17 -0.07 -2.23 0.00 0.00 178.31 176.88 3gfg h LEU 140 N -0.16 0.00 -0.27 0.59 3.38 -0.63 0.12 115.31 118.34 3gfg h LEU 140 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3gfg h LEU 140 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gfg h LEU 140 CO 0.03 0.00 -0.76 0.74 0.09 0.00 0.00 178.44 178.54 3gfg h THR 141 N 0.00 1.32 -0.26 0.22 2.02 -0.54 -2.28 112.91 113.38 3gfg h THR 141 Ca 0.10 -2.05 -0.04 0.00 0.77 0.00 0.00 66.41 65.19 3gfg h THR 141 Cb 0.44 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3gfg h THR 141 CO -0.00 0.63 0.00 0.40 0.37 0.00 0.00 175.52 176.92 3gfg h ILE 142 N 0.42 1.26 -0.79 3.11 2.04 0.28 -2.07 117.51 121.75 3gfg h ILE 142 Ca -0.04 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 64.98 3gfg h ILE 142 Cb 1.36 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 3gfg h ILE 142 CO 0.15 0.29 0.46 0.11 0.00 0.00 0.00 178.15 179.16 3gfg h LYS 143 N 0.25 0.80 -0.72 2.37 1.57 -0.84 -1.12 116.57 118.88 3gfg h LYS 143 Ca 0.08 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3gfg h LYS 143 Cb 0.42 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3gfg h LYS 143 CO 0.01 0.53 0.47 -0.22 -0.57 0.00 0.00 179.45 179.67 3gfg h LYS 144 N 0.82 0.91 -0.47 3.15 3.64 -1.23 -1.55 116.57 121.85 3gfg h LYS 144 Ca 0.36 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 3gfg h LYS 144 Cb 0.26 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3gfg h LYS 144 CO -0.21 0.60 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.36 3gfg h LEU 145 N 0.93 0.94 0.75 5.20 3.38 -0.65 -1.44 115.31 124.43 3gfg h LEU 145 Ca 0.28 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3gfg h LEU 145 Cb -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3gfg h LEU 145 CO -0.08 1.10 -0.41 0.40 0.09 0.00 0.00 178.44 179.54 3gfg h ILE 146 N 0.77 0.00 0.00 1.22 2.04 -1.04 -0.20 117.51 120.30 3gfg h ILE 146 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3gfg h ILE 146 Cb 0.71 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3gfg h ILE 146 CO 0.05 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.66 3gfg n SER 147 N -5.05 0.59 -0.65 1.72 3.41 -0.60 -1.06 113.62 111.99 3gfg n SER 147 Ca -0.13 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 3gfg n SER 147 Cb 0.44 -0.80 0.29 0.00 -0.26 0.00 0.00 64.21 63.88 3gfg n SER 147 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gfg n GLU 148 N -2.20 1.84 -1.04 4.33 1.02 -0.55 -4.95 120.64 119.09 3gfg n GLU 148 Ca 0.01 -1.27 -0.01 0.00 -0.02 0.00 0.00 57.16 55.86 3gfg n GLU 148 Cb 0.15 -1.37 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.15 0.51 0.06 0.62 0.00 -0.22 -4.92 105.19 102.38 3gfg n GLY 149 Ca 0.15 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.68 0.67 -2.70 1.61 7.64 -0.10 -4.28 113.62 117.14 3gfg n SER 150 Ca -0.01 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 3gfg n SER 150 Cb 0.08 0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.07 3.14 -4.78 -3.43 4.77 -1.21 -4.79 117.00 108.63 3gfg n LEU 151 Ca 0.03 -4.79 -0.41 0.00 -0.03 0.00 0.00 56.01 50.81 3gfg n LEU 151 Cb 0.44 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3gfg n LEU 151 CO 0.38 2.05 1.14 -1.61 -1.33 0.00 0.00 177.39 178.01 3gfg s GLU 152 N -3.25 4.01 -1.22 3.23 0.41 -1.26 -4.08 118.70 116.54 3gfg s GLU 152 Ca 0.40 2.57 -0.06 0.00 -0.41 0.00 0.00 54.97 57.47 3gfg s GLU 152 Cb 0.39 -2.90 -0.01 0.00 -1.78 0.00 0.00 34.13 29.83 3gfg s GLU 152 CO -0.09 -0.61 0.76 -3.47 -0.49 0.00 0.00 175.26 171.36 3gfg n ASP 153 N 0.31 -3.14 -4.69 -0.19 2.03 -1.26 -2.16 116.55 107.45 3gfg n ASP 153 Ca 0.02 -0.85 -0.44 0.00 0.52 0.00 0.00 54.79 54.04 3gfg n ASP 153 Cb 0.39 -4.11 -0.04 0.00 -0.72 0.00 0.00 41.12 36.65 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3gfg n ILE 154 N -4.07 0.12 -0.07 5.18 5.41 -1.26 -3.16 119.36 121.51 3gfg n ILE 154 Ca -0.21 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.45 3gfg n ILE 154 Cb 0.65 -1.83 -0.10 0.00 -0.71 0.00 0.00 39.64 37.65 3gfg n ILE 154 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3gfg n ASN 155 N 4.28 2.00 -3.97 4.38 0.23 0.67 -4.62 115.26 118.22 3gfg n ASN 155 Ca 0.17 -0.02 -0.20 0.00 -0.53 0.00 0.00 54.58 54.00 3gfg n ASN 155 Cb 0.32 0.61 -0.16 0.00 -2.08 0.00 0.00 39.78 38.48 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 -2.31 0.71 -0.26 5.53 2.01 -1.00 -0.98 115.64 119.34 3gfg s THR 156 Ca -0.09 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 3gfg s THR 156 Cb 0.04 -0.65 0.08 0.00 0.01 0.00 0.00 72.50 71.98 3gfg s THR 156 CO 0.50 0.23 0.07 -0.47 -0.69 0.00 0.00 174.62 174.26 3gfg s TYR 157 N 0.35 1.38 -0.23 4.92 5.04 -0.59 -1.18 117.35 127.05 3gfg s TYR 157 Ca -0.05 -1.34 -0.02 0.00 -2.44 0.00 0.00 57.07 53.22 3gfg s TYR 157 Cb -0.10 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 40.84 3gfg s TYR 157 CO 0.01 -0.77 -0.07 -0.65 -1.34 0.00 0.00 175.55 172.72 3gfg s GLN 158 N 1.73 3.07 -0.13 4.97 -0.21 0.10 -0.84 119.66 128.35 3gfg s GLN 158 Ca 0.05 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.62 3gfg s GLN 158 Cb -0.17 -2.93 0.02 0.00 1.00 0.00 0.00 33.01 30.92 3gfg s GLN 158 CO -0.19 -0.29 -0.15 0.08 -2.12 0.00 0.00 175.29 172.62 3gfg s VAL 159 N 1.38 1.59 -0.04 1.09 1.01 0.18 -1.25 120.40 124.36 3gfg s VAL 159 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3gfg s VAL 159 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3gfg s VAL 159 CO -0.05 0.46 0.01 -0.94 0.00 0.00 0.00 175.10 174.58 3gfg s SER 160 N 1.26 5.22 -0.42 3.32 1.04 -0.80 -0.89 113.70 122.43 3gfg s SER 160 Ca 0.00 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.58 3gfg s SER 160 Cb -0.14 -1.43 0.22 0.00 0.10 0.00 0.00 66.02 64.78 3gfg s SER 160 CO -0.07 0.33 0.47 0.00 0.98 0.00 0.00 173.24 174.95 3gfg n TYR 161 N 1.75 -0.27 -2.79 5.02 -0.00 0.21 -4.69 117.16 116.39 3gfg n TYR 161 Ca -0.16 -3.53 -0.22 0.00 -0.00 0.00 0.00 57.90 53.99 3gfg n TYR 161 Cb 0.53 -0.17 0.02 0.00 -0.00 0.00 0.00 39.34 39.72 3gfg n TYR 161 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3gfg s ASN 162 N -0.86 5.55 0.19 2.98 0.01 -1.26 -4.36 114.94 117.19 3gfg s ASN 162 Ca 0.34 0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 52.54 3gfg s ASN 162 Cb 0.12 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.56 3gfg s ASN 162 CO -0.13 -0.93 0.40 0.00 -1.51 0.00 0.00 177.10 174.93 3gfg s ARG 163 N -4.68 1.30 -0.51 -0.60 1.70 -0.61 -4.95 118.95 110.60 3gfg s ARG 163 Ca 0.53 -1.08 0.04 0.00 -0.47 0.00 0.00 55.73 54.75 3gfg s ARG 163 Cb -0.10 0.44 0.13 0.00 -0.57 0.00 0.00 34.95 34.85 3gfg s ARG 163 CO 0.38 -0.52 0.25 -0.47 -1.08 0.00 0.00 175.30 173.87 3gfg s TYR 164 N -3.94 3.11 -0.53 5.89 5.04 -1.24 -1.43 117.35 124.24 3gfg s TYR 164 Ca 0.15 -3.11 0.06 0.00 -2.44 0.00 0.00 57.07 51.73 3gfg s TYR 164 Cb 0.01 -2.75 0.22 0.00 0.35 0.00 0.00 41.96 39.79 3gfg s TYR 164 CO 0.01 -0.75 0.55 0.54 -1.34 0.00 0.00 175.55 174.55 3gfg n ARG 165 N 3.18 1.37 0.01 4.97 1.74 -0.20 -4.95 116.66 122.78 3gfg n ARG 165 Ca 0.05 -3.89 0.03 0.00 -0.77 0.00 0.00 57.85 53.27 3gfg n ARG 165 Cb 0.33 -1.82 0.12 0.00 -1.02 0.00 0.00 32.46 30.07 3gfg n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gfg n PRO 166 N 1.62 0.01 -4.14 5.56 -0.04 -1.25 -4.66 135.00 132.10 3gfg n PRO 166 Ca 0.25 0.45 -0.34 0.00 -0.04 0.00 0.00 63.50 63.82 3gfg n PRO 166 Cb 0.45 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 3gfg n PRO 166 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gfg s GLU 167 N -3.05 3.78 0.19 0.54 0.41 -1.26 -4.86 118.70 114.45 3gfg s GLU 167 Ca 0.01 -0.45 -0.30 0.00 -0.41 0.00 0.00 54.97 53.83 3gfg s GLU 167 Cb 0.03 -3.09 -0.08 0.00 -1.78 0.00 0.00 34.13 29.21 3gfg s GLU 167 CO 0.08 0.18 0.97 0.08 -0.49 0.00 0.00 175.26 176.08 3gfg s VAL 168 N 0.58 4.17 -1.28 2.63 1.01 -1.26 -4.99 120.40 121.26 3gfg s VAL 168 Ca 0.00 2.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.86 3gfg s VAL 168 Cb -0.14 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.08 3gfg s VAL 168 CO 0.02 0.42 1.71 0.00 0.00 0.00 0.00 175.10 177.24 3gfg n GLN 169 N 1.97 3.29 -1.11 2.72 0.00 -1.26 -5.00 117.38 117.99 3gfg n GLN 169 Ca -0.00 -3.45 -0.43 0.00 0.00 0.00 0.00 57.00 53.11 3gfg n GLN 169 Cb 0.48 -3.20 -0.05 0.00 0.00 0.00 0.00 30.24 27.46 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 170 N 6.30 -2.80 -2.70 2.61 0.00 -1.26 -4.99 120.51 117.68 3gfg n ALA 170 Ca 0.43 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 54.02 3gfg n ALA 170 Cb 0.42 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.10 2.57 0.00 0.00 1.81 -1.26 -5.27 118.95 116.70 3gfg s ARG 171 Ca 0.65 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.76 3gfg s ARG 171 Cb -0.91 -2.51 0.02 0.00 -0.45 0.00 0.00 34.95 31.09 3gfg s ARG 171 CO 0.42 0.51 0.97 -2.67 -0.68 0.00 0.00 175.30 173.85 3gfg n TRP 172 N 0.26 0.03 -1.19 -0.53 4.27 -1.26 -5.27 117.44 113.75 3gfg n TRP 172 Ca -0.10 -0.45 0.00 0.00 -3.89 0.00 0.00 57.50 53.06 3gfg n TRP 172 Cb 0.53 -0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.44 3gfg n TRP 172 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gfg n ALA 179 N -0.38 -0.33 -2.30 -1.67 0.00 -1.26 -5.40 120.51 109.17 3gfg n ALA 179 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 3gfg n ALA 179 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.23 2.93 0.00 0.00 -4.23 -1.26 -4.82 115.64 107.03 3gfg s THR 180 Ca 0.00 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3gfg s THR 180 Cb 0.00 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3gfg s THR 180 CO 0.00 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3gfg n GLY 181 N -1.50 0.09 0.24 3.99 0.00 -1.26 -4.54 105.19 102.21 3gfg n GLY 181 Ca 0.02 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 0.33 -0.10 2.61 1.35 -1.52 -0.56 112.91 115.02 3gfg h THR 182 Ca 0.00 -0.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.87 3gfg h THR 182 Cb 0.00 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3gfg h THR 182 CO 0.00 0.14 -0.07 0.25 -0.25 0.00 0.00 175.52 175.58 3gfg h LEU 183 N 0.00 0.24 0.20 3.87 5.85 -1.85 0.16 115.31 123.79 3gfg h LEU 183 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3gfg h LEU 183 Cb 0.72 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3gfg h LEU 183 CO 0.02 0.64 -0.10 1.88 -0.34 0.00 0.00 178.44 180.54 3gfg h TYR 184 N -0.16 -0.25 -0.21 1.25 -1.99 -1.76 -2.15 116.97 111.69 3gfg h TYR 184 Ca 0.02 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 3gfg h TYR 184 Cb 0.56 0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.38 3gfg h TYR 184 CO 0.08 -0.04 -0.51 0.22 -0.00 0.00 0.00 178.16 177.92 3gfg h ASP 185 N -0.43 0.81 0.00 3.88 3.58 -1.11 -3.29 116.42 119.85 3gfg h ASP 185 Ca -0.03 -0.56 -0.15 0.00 0.42 0.00 0.00 57.03 56.70 3gfg h ASP 185 Cb 0.33 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 3gfg h ASP 185 CO 0.05 1.23 -1.55 0.18 -2.88 0.00 0.00 179.24 176.26 3gfg n LEU 186 N -4.13 2.22 -0.33 2.28 4.77 -0.10 -4.59 117.00 117.13 3gfg n LEU 186 Ca -0.06 0.01 0.20 0.00 -0.03 0.00 0.00 56.01 56.13 3gfg n LEU 186 Cb 0.60 -0.32 0.45 0.00 -2.33 0.00 0.00 43.42 41.81 3gfg n LEU 186 CO 0.48 0.51 1.20 1.23 -1.33 0.00 0.00 177.39 179.48 3gfg h GLY 187 N 0.36 1.47 0.99 -0.72 0.00 -0.58 -2.63 103.07 101.96 3gfg h GLY 187 Ca -0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gfg h GLY 187 CO -0.08 -0.14 0.33 1.48 0.00 0.00 0.00 176.54 178.13 3gfg h SER 188 N 0.51 0.65 -0.51 0.19 4.64 -1.48 0.33 113.55 117.88 3gfg h SER 188 Ca 0.60 -0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.95 3gfg h SER 188 Cb 1.31 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 63.16 3gfg h SER 188 CO -0.35 0.52 0.08 0.45 -0.87 0.00 0.00 176.83 176.65 3gfg h HIS 189 N 0.73 0.11 0.00 4.77 3.86 -1.73 0.22 115.15 123.10 3gfg h HIS 189 Ca 0.19 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 3gfg h HIS 189 Cb -0.01 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3gfg h HIS 189 CO -0.02 -0.04 -0.54 -0.84 0.86 0.00 0.00 177.93 177.34 3gfg h ILE 190 N 0.20 0.22 0.12 2.45 3.07 -1.41 -2.49 117.51 119.67 3gfg h ILE 190 Ca 0.26 -1.34 -0.01 0.00 1.55 0.00 0.00 64.86 65.32 3gfg h ILE 190 Cb 0.36 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 3gfg h ILE 190 CO -0.36 0.12 -0.06 0.40 -1.05 0.00 0.00 178.15 177.21 3gfg h ILE 191 N 0.00 1.07 -0.51 0.16 2.04 -0.02 -2.69 117.51 117.57 3gfg h ILE 191 Ca -0.02 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.08 3gfg h ILE 191 Cb 1.14 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.74 3gfg h ILE 191 CO 0.02 0.20 -0.06 -0.78 0.00 0.00 0.00 178.15 177.54 3gfg h ASP 192 N -0.57 -0.33 -0.68 1.72 3.58 -0.58 -0.62 116.42 118.94 3gfg h ASP 192 Ca -0.02 0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.64 3gfg h ASP 192 Cb 0.45 0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 3gfg h ASP 192 CO 0.03 -0.12 0.36 1.56 -2.88 0.00 0.00 179.24 178.18 3gfg h GLN 193 N 0.06 0.62 -0.34 0.28 4.20 -1.47 -0.68 115.11 117.78 3gfg h GLN 193 Ca 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3gfg h GLN 193 Cb 0.39 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3gfg h GLN 193 CO -0.47 0.41 0.17 1.15 -0.67 0.00 0.00 178.83 179.42 3gfg h THR 194 N 0.63 1.15 -0.61 -0.54 2.02 -0.81 -1.36 112.91 113.40 3gfg h THR 194 Ca 0.32 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 3gfg h THR 194 Cb 0.27 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3gfg h THR 194 CO -0.22 0.16 0.07 -0.07 0.37 0.00 0.00 175.52 175.82 3gfg h LEU 195 N 0.42 1.00 -1.31 2.58 3.38 -0.91 0.02 115.31 120.51 3gfg h LEU 195 Ca 0.12 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 57.96 3gfg h LEU 195 Cb 0.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 3gfg h LEU 195 CO -0.02 1.03 0.57 -0.74 0.09 0.00 0.00 178.44 179.37 3gfg h HIS 196 N 0.94 0.79 0.12 1.13 2.76 -0.92 0.28 115.15 120.26 3gfg h HIS 196 Ca 0.18 0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 58.05 3gfg h HIS 196 Cb 0.47 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3gfg h HIS 196 CO 0.03 0.28 -1.65 -0.07 -1.30 0.00 0.00 177.93 175.23 3gfg h LEU 197 N 0.66 0.40 -0.57 0.26 3.38 -0.26 -3.42 115.31 115.76 3gfg h LEU 197 Ca 0.45 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gfg h LEU 197 Cb 0.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gfg h LEU 197 CO -0.20 1.52 0.00 0.49 0.09 0.00 0.00 178.44 180.34 3gfg n PHE 198 N -3.44 0.00 -4.15 1.13 3.72 -0.10 -5.11 117.46 109.51 3gfg n PHE 198 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3gfg n PHE 198 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.24 -1.41 3.77 1.37 0.00 0.99 -4.87 105.19 105.28 3gfg n GLY 199 Ca 0.00 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 4.47 0.78 1.61 -1.94 -1.26 -4.40 119.30 118.56 3gfg s MET 200 Ca 0.00 1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 54.89 3gfg s MET 200 Cb 0.00 -3.30 0.06 0.00 2.01 0.00 0.00 34.83 33.60 3gfg s MET 200 CO 0.00 0.45 1.15 -1.25 -0.01 0.00 0.00 175.02 175.37 3gfg s PRO 201 N -0.64 2.18 0.19 2.03 0.04 -1.26 -4.99 135.00 132.56 3gfg s PRO 201 Ca 0.35 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 3gfg s PRO 201 Cb -0.21 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.48 3gfg s PRO 201 CO 0.23 -1.47 1.55 0.87 0.04 0.00 0.00 177.00 178.23 3gfg h LYS 202 N -0.96 0.72 -3.11 4.56 1.57 -0.33 -3.44 116.57 115.57 3gfg h LYS 202 Ca -0.46 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 3gfg h LYS 202 Cb 1.31 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.53 3gfg h LYS 202 CO 0.65 0.98 0.15 0.00 -0.57 0.00 0.00 179.45 180.66 3gfg s ALA 203 N -4.32 -1.28 0.01 3.86 0.00 -1.24 -1.19 121.76 117.60 3gfg s ALA 203 Ca -0.09 0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.98 3gfg s ALA 203 Cb 0.12 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 3gfg s ALA 203 CO 0.85 -0.84 -0.15 0.08 0.00 0.00 0.00 175.76 175.70 3gfg s VAL 204 N -3.83 1.17 -0.03 0.00 1.01 -0.26 -0.63 120.40 117.83 3gfg s VAL 204 Ca 0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3gfg s VAL 204 Cb -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3gfg s VAL 204 CO -0.05 0.18 0.02 -0.89 0.00 0.00 0.00 175.10 174.36 3gfg s THR 205 N -0.59 0.04 0.04 3.92 2.01 -0.73 -0.34 115.64 119.99 3gfg s THR 205 Ca 0.04 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 3gfg s THR 205 Cb -0.07 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.29 3gfg s THR 205 CO 0.00 0.13 0.38 0.00 -0.69 0.00 0.00 174.62 174.45 3gfg s ALA 206 N 1.30 -0.90 -0.14 7.40 0.00 -1.26 0.02 121.76 128.18 3gfg s ALA 206 Ca -0.06 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3gfg s ALA 206 Cb -0.13 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3gfg s ALA 206 CO -0.03 -0.44 -0.15 1.21 0.00 0.00 0.00 175.76 176.35 3gfg s ASN 207 N -2.01 2.64 -0.11 0.00 2.47 -0.70 -3.02 114.94 114.20 3gfg s ASN 207 Ca -0.05 -0.48 -0.01 0.00 0.42 0.00 0.00 52.86 52.75 3gfg s ASN 207 Cb -0.01 -1.17 0.03 0.00 -1.45 0.00 0.00 41.25 38.65 3gfg s ASN 207 CO -0.03 -0.03 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.57 3gfg s VAL 208 N 1.30 0.96 0.29 -5.21 1.01 -1.26 -1.19 120.40 116.29 3gfg s VAL 208 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3gfg s VAL 208 Cb -0.14 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 3gfg s VAL 208 CO -0.08 0.34 0.45 0.00 0.00 0.00 0.00 175.10 175.81 3gfg s MET 209 N 1.73 1.70 -0.33 2.72 0.23 -0.40 -4.95 119.30 120.00 3gfg s MET 209 Ca 0.05 -1.52 -0.10 0.00 -1.03 0.00 0.00 55.69 53.08 3gfg s MET 209 Cb -0.13 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.62 3gfg s MET 209 CO -0.08 -0.70 0.18 0.00 -2.03 0.00 0.00 175.02 172.40 3gfg s ALA 210 N -3.54 3.31 -0.02 3.16 0.00 -1.26 -1.91 121.76 121.49 3gfg s ALA 210 Ca 0.28 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 3gfg s ALA 210 Cb 0.00 -2.48 -0.26 0.00 0.00 0.00 0.00 23.12 20.38 3gfg s ALA 210 CO 0.14 -1.06 0.75 1.96 0.00 0.00 0.00 175.76 177.55 3gfg h GLN 211 N 8.40 0.19 -6.98 0.00 4.20 -1.88 -3.48 115.11 115.56 3gfg h GLN 211 Ca -0.30 -0.33 -0.50 0.00 0.06 0.00 0.00 58.65 57.58 3gfg h GLN 211 Cb 1.13 0.12 0.05 0.00 0.30 0.00 0.00 27.48 29.09 3gfg h GLN 211 CO 0.64 1.00 0.48 1.03 -0.67 0.00 0.00 178.83 181.31 3gfg s ARG 212 N -2.61 3.89 0.46 1.46 0.52 -1.26 -4.93 118.95 116.48 3gfg s ARG 212 Ca -0.10 1.74 0.20 0.00 -0.52 0.00 0.00 55.73 57.05 3gfg s ARG 212 Cb 0.07 -2.49 1.17 0.00 0.52 0.00 0.00 34.95 34.23 3gfg s ARG 212 CO 0.83 -0.43 1.91 1.49 0.02 0.00 0.00 175.30 179.12 3gfg h GLU 213 N 2.25 0.28 -0.83 3.54 4.81 -1.92 -2.38 114.58 120.34 3gfg h GLU 213 Ca -0.49 -0.02 -0.51 0.00 -0.13 0.00 0.00 59.36 58.22 3gfg h GLU 213 Cb 1.24 -0.06 -0.42 0.00 0.63 0.00 0.00 28.75 30.13 3gfg h GLU 213 CO 0.61 0.19 -0.86 0.09 -0.73 0.00 0.00 179.01 178.30 3gfg n ASN 214 N -4.44 4.31 -4.73 1.04 5.03 -1.26 -5.07 115.26 110.14 3gfg n ASN 214 Ca 0.15 -3.47 -0.41 0.00 0.87 0.00 0.00 54.58 51.72 3gfg n ASN 214 Cb 0.64 -0.38 -0.04 0.00 -1.02 0.00 0.00 39.78 38.97 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gfg s ALA 215 N -3.61 3.23 -0.19 5.41 0.00 -0.90 -4.94 121.76 120.78 3gfg s ALA 215 Ca 0.46 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 3gfg s ALA 215 Cb 0.40 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 20.06 3gfg s ALA 215 CO -0.01 -0.07 0.21 0.93 0.00 0.00 0.00 175.76 176.83 3gfg h GLU 216 N 5.77 0.00 -6.20 0.00 4.39 -1.97 -3.49 114.58 113.09 3gfg h GLU 216 Ca -0.43 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.79 3gfg h GLU 216 Cb 1.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 3gfg h GLU 216 CO 0.72 0.81 -0.49 0.95 -1.16 0.00 0.00 179.01 179.85 3gfg s THR 217 N -2.30 4.66 -0.16 1.13 -4.23 -1.26 -4.98 115.64 108.51 3gfg s THR 217 Ca -0.25 -1.25 -0.38 0.00 -1.18 0.00 0.00 61.69 58.63 3gfg s THR 217 Cb 0.04 -3.54 -0.15 0.00 1.34 0.00 0.00 72.50 70.19 3gfg s THR 217 CO 0.53 -0.33 1.72 0.52 -0.54 0.00 0.00 174.62 176.52 3gfg n VAL 218 N -1.28 0.32 -0.28 2.29 0.31 -1.26 -4.55 118.33 113.88 3gfg n VAL 218 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3gfg n VAL 218 Cb 0.58 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 3gfg n VAL 218 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3gfg n ASP 219 N 5.23 0.74 -3.79 4.52 5.68 -0.80 -1.20 116.55 126.92 3gfg n ASP 219 Ca 0.24 -1.02 -0.14 0.00 -0.50 0.00 0.00 54.79 53.37 3gfg n ASP 219 Cb 0.19 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.02 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 -0.02 -0.01 0.01 2.11 5.04 -0.88 -2.71 117.35 120.88 3gfg s TYR 220 Ca 0.00 0.17 -0.01 0.00 -2.44 0.00 0.00 57.07 54.78 3gfg s TYR 220 Cb 0.00 -0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.15 3gfg s TYR 220 CO 0.00 -0.08 0.01 -0.59 -1.34 0.00 0.00 175.55 173.55 3gfg s PHE 221 N 0.80 0.13 -0.15 4.97 -0.12 -0.52 -1.27 117.98 121.81 3gfg s PHE 221 Ca -0.07 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 3gfg s PHE 221 Cb -0.09 -0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.27 3gfg s PHE 221 CO -0.03 -0.13 0.16 -1.58 -0.05 0.00 0.00 175.22 173.59 3gfg s HIS 222 N -0.90 -0.10 -0.02 3.49 2.46 -0.34 -1.03 115.29 118.85 3gfg s HIS 222 Ca -0.10 0.18 0.06 0.00 0.47 0.00 0.00 55.06 55.67 3gfg s HIS 222 Cb -0.06 -0.43 -0.02 0.00 -0.13 0.00 0.00 32.58 31.93 3gfg s HIS 222 CO -0.00 -0.47 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.10 3gfg s LEU 223 N 2.26 2.45 -0.22 8.88 1.02 0.88 -1.72 118.68 132.21 3gfg s LEU 223 Ca 0.04 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.86 3gfg s LEU 223 Cb -0.15 -1.46 0.03 0.00 0.02 0.00 0.00 46.19 44.63 3gfg s LEU 223 CO -0.09 0.32 -0.12 -0.89 0.02 0.00 0.00 176.35 175.59 3gfg s THR 224 N -0.71 2.49 -0.22 5.49 2.01 0.10 -0.83 115.64 123.96 3gfg s THR 224 Ca 0.11 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 3gfg s THR 224 Cb -0.10 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 3gfg s THR 224 CO 0.01 0.30 0.44 -0.76 -0.69 0.00 0.00 174.62 173.91 3gfg s LEU 225 N 1.28 4.11 -0.33 4.42 1.02 0.59 -1.77 118.68 128.00 3gfg s LEU 225 Ca 0.01 0.52 -0.19 0.00 0.02 0.00 0.00 54.13 54.49 3gfg s LEU 225 Cb -0.16 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 3gfg s LEU 225 CO -0.08 -0.16 0.55 -0.62 0.02 0.00 0.00 176.35 176.07 3gfg s ASP 226 N 1.26 6.37 -0.18 2.29 2.15 0.20 -2.13 116.67 126.63 3gfg s ASP 226 Ca 0.20 0.14 0.15 0.00 0.43 0.00 0.00 52.55 53.47 3gfg s ASP 226 Cb -0.15 -2.29 0.38 0.00 -0.30 0.00 0.00 42.92 40.56 3gfg s ASP 226 CO 0.09 -0.47 1.24 -1.22 -0.17 0.00 0.00 175.17 174.64 3gfg n TYR 227 N 5.78 0.22 0.00 -5.34 4.01 -0.31 0.48 117.16 122.01 3gfg n TYR 227 Ca -0.04 -1.22 0.00 0.00 -0.16 0.00 0.00 57.90 56.48 3gfg n TYR 227 Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.20 1.76 0.37 2.72 0.00 -1.26 -3.54 105.19 104.03 3gfg n GLY 228 Ca 0.20 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.21 -6.36 1.61 3.64 -1.97 -3.40 116.57 111.30 3gfg h LYS 229 Ca 0.00 -0.07 -0.55 0.00 -1.27 0.00 0.00 60.65 58.76 3gfg h LYS 229 Cb 0.00 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 3gfg h LYS 229 CO 0.00 0.80 0.59 -1.17 -2.27 0.00 0.00 179.45 177.40 3gfg s LEU 230 N -10.15 4.31 -0.09 5.20 2.96 -1.23 -4.78 118.68 114.89 3gfg s LEU 230 Ca -0.13 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.61 3gfg s LEU 230 Cb 0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3gfg s LEU 230 CO 0.81 -0.48 -0.23 -1.10 -1.32 0.00 0.00 176.35 174.03 3gfg s GLN 231 N 1.71 2.89 -0.19 1.98 -1.52 -0.15 -1.16 119.66 123.22 3gfg s GLN 231 Ca 0.55 -0.84 -0.01 0.00 -1.95 0.00 0.00 55.36 53.11 3gfg s GLN 231 Cb -0.24 -2.21 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 3gfg s GLN 231 CO 0.24 0.18 -0.12 0.00 -0.25 0.00 0.00 175.29 175.33 3gfg s ALA 232 N 0.34 2.57 -0.20 6.09 0.00 -0.90 -1.54 121.76 128.11 3gfg s ALA 232 Ca -0.18 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 3gfg s ALA 232 Cb -0.18 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3gfg s ALA 232 CO 0.08 -0.30 0.02 0.42 0.00 0.00 0.00 175.76 175.98 3gfg s ILE 233 N 1.24 4.15 -0.17 0.00 -1.09 -0.02 -0.30 121.20 125.02 3gfg s ILE 233 Ca 0.03 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 3gfg s ILE 233 Cb -0.14 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3gfg s ILE 233 CO -0.06 0.42 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.17 3gfg s LEU 234 N 0.96 1.96 0.06 2.97 1.43 -0.01 -0.64 118.68 125.41 3gfg s LEU 234 Ca 0.02 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3gfg s LEU 234 Cb -0.14 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3gfg s LEU 234 CO 0.02 -0.08 -0.01 -0.72 0.23 0.00 0.00 176.35 175.79 3gfg s TYR 235 N 1.42 0.57 -0.29 0.29 -0.85 -0.07 -0.09 117.35 118.34 3gfg s TYR 235 Ca 0.03 -1.09 -0.18 0.00 -0.52 0.00 0.00 57.07 55.31 3gfg s TYR 235 Cb -0.14 -0.40 0.14 0.00 0.38 0.00 0.00 41.96 41.94 3gfg s TYR 235 CO -0.10 -0.40 1.01 0.20 -1.52 0.00 0.00 175.55 174.73 3gfg s GLY 236 N -2.94 -0.01 0.51 5.49 0.00 -0.20 0.68 107.32 110.85 3gfg s GLY 236 Ca 0.10 3.08 0.04 0.00 0.00 0.00 0.00 44.72 47.93 3gfg s GLY 236 CO -0.08 2.43 0.16 -0.32 0.00 0.00 0.00 173.10 175.29 3gfg s GLY 237 N 1.08 2.71 0.00 0.20 0.00 -1.26 -1.43 107.32 108.62 3gfg s GLY 237 Ca -0.06 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3gfg s GLY 237 CO -0.13 -2.08 0.37 1.44 0.00 0.00 0.00 173.10 172.71 3gfg n SER 238 N -1.41 0.75 -2.97 1.64 7.64 -1.10 -1.58 113.62 116.59 3gfg n SER 238 Ca -0.11 -0.88 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 3gfg n SER 238 Cb 0.66 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.28 3.42 -3.86 0.44 5.41 -1.21 -1.03 119.36 122.25 3gfg n ILE 239 Ca 0.00 -5.50 -0.30 0.00 1.00 0.00 0.00 62.75 57.95 3gfg n ILE 239 Cb 0.02 -1.40 -0.14 0.00 -0.71 0.00 0.00 39.64 37.41 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 -4.64 2.02 0.26 1.39 1.01 -0.51 -5.00 120.40 114.92 3gfg s VAL 240 Ca 0.48 -2.82 -0.03 0.00 0.00 0.00 0.00 61.98 59.61 3gfg s VAL 240 Cb 0.29 -2.42 0.24 0.00 0.00 0.00 0.00 36.38 34.49 3gfg s VAL 240 CO -0.16 -0.81 1.82 -0.65 0.00 0.00 0.00 175.10 175.31 3gfg h PRO 241 N 6.80 0.86 -4.33 2.72 0.11 -1.93 -3.31 132.00 132.92 3gfg h PRO 241 Ca -0.05 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.52 3gfg h PRO 241 Cb 0.93 -0.19 -0.34 0.00 0.11 0.00 0.00 31.00 31.50 3gfg h PRO 241 CO 0.58 0.57 -0.80 0.00 -0.21 0.00 0.00 178.00 178.14 3gfg s ALA 242 N -6.01 1.06 0.45 -0.75 0.00 -1.26 -4.93 121.76 110.32 3gfg s ALA 242 Ca -0.12 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 3gfg s ALA 242 Cb 0.20 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 3gfg s ALA 242 CO 0.79 0.01 1.00 -0.80 0.00 0.00 0.00 175.76 176.77 3gfg s ASN 243 N 0.87 6.64 0.00 0.00 0.01 -1.26 -5.08 114.94 116.11 3gfg s ASN 243 Ca -0.11 1.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.88 3gfg s ASN 243 Cb -0.15 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.96 3gfg s ASN 243 CO 0.01 -0.57 0.00 0.61 -1.51 0.00 0.00 177.10 175.64 3gfg n GLY 244 N -0.33 0.26 3.67 0.66 0.00 -1.26 -4.99 105.19 103.21 3gfg n GLY 244 Ca 0.08 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gfg n PRO 245 N 0.00 1.43 0.08 1.61 -0.02 -1.26 -4.79 135.00 132.05 3gfg n PRO 245 Ca 0.00 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 3gfg n PRO 245 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gfg h ARG 246 N 1.28 0.34 -5.49 -0.52 2.43 -0.47 -3.39 114.38 108.55 3gfg h ARG 246 Ca -0.48 -0.39 -0.54 0.00 -0.81 0.00 0.00 59.98 57.75 3gfg h ARG 246 Cb 1.33 0.12 -0.30 0.00 -0.42 0.00 0.00 29.97 30.70 3gfg h ARG 246 CO 0.56 1.09 -0.83 0.71 -1.51 0.00 0.00 179.97 179.98 3gfg s TYR 247 N -3.16 1.56 -0.16 2.20 2.02 -0.88 -1.91 117.35 117.02 3gfg s TYR 247 Ca -0.05 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 3gfg s TYR 247 Cb 0.09 -1.02 0.05 0.00 -0.40 0.00 0.00 41.96 40.68 3gfg s TYR 247 CO 0.86 -0.07 0.01 -0.65 -1.57 0.00 0.00 175.55 174.13 3gfg s GLN 248 N -0.25 0.83 -0.13 -0.62 -0.21 -0.38 -1.50 119.66 117.40 3gfg s GLN 248 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.08 3gfg s GLN 248 Cb -0.08 -1.88 0.01 0.00 1.00 0.00 0.00 33.01 32.07 3gfg s GLN 248 CO 0.00 -0.53 -0.19 0.42 -2.12 0.00 0.00 175.29 172.88 3gfg s ILE 249 N 1.82 1.79 -0.07 1.08 1.01 0.07 -0.72 121.20 126.18 3gfg s ILE 249 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3gfg s ILE 249 Cb -0.16 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 3gfg s ILE 249 CO -0.07 0.50 -0.20 -1.00 0.00 0.00 0.00 174.94 174.16 3gfg s HIS 250 N 0.92 2.10 0.00 3.97 3.76 -0.32 -0.77 115.29 124.95 3gfg s HIS 250 Ca -0.06 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 3gfg s HIS 250 Cb -0.15 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.12 3gfg s HIS 250 CO -0.02 -0.27 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 3gfg n GLY 251 N 3.31 6.24 0.18 -2.22 0.00 -0.13 -0.24 105.19 112.33 3gfg n GLY 251 Ca -0.19 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.38 -3.34 116.57 115.55 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 0.44 -0.22 -0.25 -2.00 0.00 0.00 179.45 177.42 3gfg n ASP 253 N -3.70 1.10 -3.75 7.07 10.43 -1.26 -5.04 116.55 121.40 3gfg n ASP 253 Ca -0.01 -0.34 -0.10 0.00 2.57 0.00 0.00 54.79 56.92 3gfg n ASP 253 Cb 0.51 0.89 -0.06 0.00 1.84 0.00 0.00 41.12 44.31 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 -1.11 -0.10 0.01 -2.24 1.04 -1.26 -0.35 113.70 109.69 3gfg s SER 254 Ca 0.00 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.96 3gfg s SER 254 Cb 0.00 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3gfg s SER 254 CO 0.00 -0.83 -0.08 -0.44 0.98 0.00 0.00 173.24 172.86 3gfg s SER 255 N -2.84 0.97 -0.19 7.02 0.01 -0.22 -0.95 113.70 117.49 3gfg s SER 255 Ca 0.06 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.06 3gfg s SER 255 Cb 0.03 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3gfg s SER 255 CO -0.10 0.03 -0.16 0.12 0.41 0.00 0.00 173.24 173.55 3gfg s PHE 256 N -0.48 2.84 -0.09 2.43 5.36 0.05 -0.77 117.98 127.32 3gfg s PHE 256 Ca 0.00 -1.49 0.04 0.00 -0.96 0.00 0.00 56.93 54.52 3gfg s PHE 256 Cb -0.05 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 3gfg s PHE 256 CO 0.00 -0.75 -0.21 0.42 -1.46 0.00 0.00 175.22 173.22 3gfg s ILE 257 N 1.33 1.81 -0.04 3.12 1.01 -0.69 -0.75 121.20 126.99 3gfg s ILE 257 Ca 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 3gfg s ILE 257 Cb -0.13 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3gfg s ILE 257 CO -0.10 0.51 0.11 -0.75 0.00 0.00 0.00 174.94 174.70 3gfg s LYS 258 N 0.39 0.11 0.28 2.79 2.20 -0.56 -0.96 119.74 123.99 3gfg s LYS 258 Ca -0.17 0.19 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 3gfg s LYS 258 Cb -0.17 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 3gfg s LYS 258 CO 0.07 -0.05 0.38 0.71 -0.36 0.00 0.00 175.35 176.11 3gfg s TYR 259 N 0.32 3.26 0.00 4.03 2.02 -1.26 0.26 117.35 125.98 3gfg s TYR 259 Ca -0.02 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3gfg s TYR 259 Cb -0.03 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3gfg s TYR 259 CO -0.01 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3gfg n GLY 260 N -1.48 1.96 3.35 0.71 0.00 -1.26 -4.79 105.19 103.68 3gfg n GLY 260 Ca -0.05 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.44 2.09 0.38 -0.61 2.07 -1.26 -4.71 121.20 116.72 3gfg s ILE 261 Ca 0.00 -1.62 -0.28 0.00 -1.41 0.00 0.00 60.65 57.34 3gfg s ILE 261 Cb 0.00 -1.84 -0.11 0.00 0.13 0.00 0.00 42.46 40.64 3gfg s ILE 261 CO 0.00 0.11 1.50 -0.62 -1.91 0.00 0.00 174.94 174.02 3gfg s ASP 262 N -1.84 6.32 0.00 4.50 2.15 -1.26 -4.93 116.67 121.62 3gfg s ASP 262 Ca 0.12 3.07 0.21 0.00 0.43 0.00 0.00 52.55 56.38 3gfg s ASP 262 Cb -0.10 -2.67 0.61 0.00 -0.30 0.00 0.00 42.92 40.46 3gfg s ASP 262 CO 0.05 -0.89 1.51 0.61 -0.17 0.00 0.00 175.17 176.28 3gfg n GLY 263 N 0.46 2.25 0.24 2.66 0.00 -1.26 -4.49 105.19 105.05 3gfg n GLY 263 Ca 0.01 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 4.07 0.84 -0.67 1.61 4.20 -1.93 -2.20 115.11 121.03 3gfg h GLN 264 Ca 0.00 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 3gfg h GLN 264 Cb 0.93 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 3gfg h GLN 264 CO 0.00 1.16 0.37 0.93 -0.67 0.00 0.00 178.83 180.62 3gfg h GLU 265 N 0.61 0.94 -0.44 1.46 5.08 -2.00 -1.70 114.58 118.54 3gfg h GLU 265 Ca 0.01 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3gfg h GLU 265 Cb 1.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3gfg h GLU 265 CO 0.12 0.71 0.02 -0.44 -1.00 0.00 0.00 179.01 178.41 3gfg h ASP 266 N 0.92 0.66 0.55 1.42 3.32 -1.84 -0.93 116.42 120.53 3gfg h ASP 266 Ca 0.24 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3gfg h ASP 266 Cb 0.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gfg h ASP 266 CO -0.04 0.72 -0.43 0.00 -1.72 0.00 0.00 179.24 177.77 3gfg h ALA 267 N 1.36 1.17 -0.16 3.45 0.00 -1.10 -2.22 119.26 121.75 3gfg h ALA 267 Ca 0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3gfg h ALA 267 Cb 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gfg h ALA 267 CO 0.01 0.54 -0.59 -0.07 0.00 0.00 0.00 179.25 179.15 3gfg h LEU 268 N 0.00 0.79 -1.42 0.00 3.38 -0.79 -1.39 115.31 115.88 3gfg h LEU 268 Ca -0.00 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.38 3gfg h LEU 268 Cb 0.83 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3gfg h LEU 268 CO 0.06 1.26 0.41 0.03 0.09 0.00 0.00 178.44 180.29 3gfg h ARG 269 N 0.36 0.74 -0.00 1.13 3.08 -0.95 -2.44 114.38 116.29 3gfg h ARG 269 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gfg h ARG 269 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3gfg h ARG 269 CO 0.12 0.49 -0.09 0.00 -1.07 0.00 0.00 179.97 179.42 3gfg n ALA 270 N -2.45 2.73 -0.07 0.04 0.00 -0.86 -4.93 120.51 114.97 3gfg n ALA 270 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gfg n ALA 270 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.24 0.86 3.83 0.00 0.00 -0.92 -5.09 105.19 105.12 3gfg n GLY 271 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.93 3.88 0.11 1.61 0.52 -0.53 -5.03 118.95 118.58 3gfg s ARG 272 Ca 0.00 1.04 0.10 0.00 -0.52 0.00 0.00 55.73 56.35 3gfg s ARG 272 Cb 0.00 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 3gfg s ARG 272 CO 0.00 -0.33 -0.25 0.15 0.02 0.00 0.00 175.30 174.89 3gfg s LYS 273 N -3.91 1.37 -0.06 3.54 1.02 -1.26 -4.43 119.74 116.01 3gfg s LYS 273 Ca 0.61 -1.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 3gfg s LYS 273 Cb -0.11 -1.75 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 3gfg s LYS 273 CO 0.29 0.42 1.91 -2.14 -0.92 0.00 0.00 175.35 174.91 3gfg s PRO 274 N -1.88 3.92 0.00 -1.68 0.02 -1.26 -4.79 135.00 129.32 3gfg s PRO 274 Ca 0.11 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3gfg s PRO 274 Cb -0.10 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.27 3gfg s PRO 274 CO 0.05 -1.19 0.01 0.39 -0.33 0.00 0.00 177.00 175.92 3gfg n GLU 275 N 7.71 0.01 -3.83 5.54 1.02 -1.26 -4.96 120.64 124.86 3gfg n GLU 275 Ca 0.21 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.30 3gfg n GLU 275 Cb 0.43 -0.40 0.01 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.05 0.38 1.62 3.84 -1.26 -5.01 116.67 116.18 3gfg s ASP 276 Ca 0.00 -0.72 0.22 0.00 -0.00 0.00 0.00 52.55 52.04 3gfg s ASP 276 Cb 0.00 0.60 1.30 0.00 -1.38 0.00 0.00 42.92 43.44 3gfg s ASP 276 CO 0.00 -1.17 1.61 0.44 -0.00 0.00 0.00 175.17 176.05 3gfg h ASP 277 N 2.00 0.35 -0.09 2.11 5.19 -2.03 -2.87 116.42 121.08 3gfg h ASP 277 Ca -0.27 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3gfg h ASP 277 Cb 1.23 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.94 3gfg h ASP 277 CO 0.34 -0.30 0.00 -1.54 -3.12 0.00 0.00 179.24 174.61 3gfg n SER 278 N -5.07 0.92 -4.72 6.45 3.41 -1.26 -4.84 113.62 108.50 3gfg n SER 278 Ca 0.36 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.99 3gfg n SER 278 Cb 1.25 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 3gfg n SER 278 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3gfg s TRP 279 N -1.89 3.27 -1.24 7.33 -0.11 -1.09 -3.04 118.94 122.17 3gfg s TRP 279 Ca 0.31 1.08 0.00 0.00 1.22 0.00 0.00 56.10 58.72 3gfg s TRP 279 Cb 0.16 -3.62 0.00 0.00 -1.50 0.00 0.00 33.47 28.50 3gfg s TRP 279 CO 0.25 -2.08 0.00 0.41 -4.62 0.00 0.00 176.95 170.90 3gfg n GLY 280 N 3.07 0.96 3.73 5.86 0.00 -1.26 -4.34 105.19 113.21 3gfg n GLY 280 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.50 3.63 0.75 4.61 0.00 -1.17 -0.51 121.76 126.57 3gfg s ALA 281 Ca 0.00 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 3gfg s ALA 281 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 3gfg s ALA 281 CO 0.00 -0.70 1.08 0.34 0.00 0.00 0.00 175.76 176.48 3gfg s ASP 282 N 0.61 4.87 -0.10 0.00 -1.08 -1.26 -4.81 116.67 114.90 3gfg s ASP 282 Ca 0.62 1.59 -0.23 0.00 -0.52 0.00 0.00 52.55 54.01 3gfg s ASP 282 Cb -0.41 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.63 3gfg s ASP 282 CO 0.38 -1.77 0.68 -0.69 0.52 0.00 0.00 175.17 174.30 3gfg s VAL 283 N -3.03 5.04 0.40 1.11 1.01 -1.26 -4.98 120.40 118.69 3gfg s VAL 283 Ca 0.60 1.37 0.24 0.00 0.00 0.00 0.00 61.98 64.19 3gfg s VAL 283 Cb -0.15 -4.01 0.41 0.00 0.00 0.00 0.00 36.38 32.63 3gfg s VAL 283 CO 0.55 0.21 1.61 -0.65 0.00 0.00 0.00 175.10 176.82 3gfg h PRO 284 N 6.93 0.09 0.00 2.72 0.11 -1.99 0.21 132.00 140.07 3gfg h PRO 284 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3gfg h PRO 284 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gfg h PRO 284 CO 0.77 0.06 0.00 1.49 -0.21 0.00 0.00 178.00 180.10 3gfg h GLU 285 N 0.09 0.00 -0.30 1.05 4.81 -2.02 -2.88 114.58 115.33 3gfg h GLU 285 Ca 0.82 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.05 3gfg h GLU 285 Cb 2.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.71 3gfg h GLU 285 CO -0.58 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 178.89 3gfg n PHE 286 N -2.79 0.39 -1.64 0.92 3.72 0.74 -4.98 117.46 113.83 3gfg n PHE 286 Ca 0.01 -0.34 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 3gfg n PHE 286 Cb 0.26 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 0.76 1.60 -2.74 1.38 4.01 -1.09 -4.32 117.16 116.76 3gfg n TYR 287 Ca 0.12 0.59 -0.33 0.00 -0.16 0.00 0.00 57.90 58.12 3gfg n TYR 287 Cb 0.43 -2.30 -0.06 0.00 -0.31 0.00 0.00 39.34 37.10 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 -0.55 2.41 -0.22 2.72 0.00 -1.23 -4.77 107.32 105.68 3gfg s GLY 288 Ca 0.60 0.45 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 3gfg s GLY 288 CO 0.59 0.74 0.10 0.54 0.00 0.00 0.00 173.10 175.07 3gfg s LYS 289 N -3.22 3.94 -0.21 2.90 1.02 -0.13 -0.66 119.74 123.38 3gfg s LYS 289 Ca 0.63 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 56.23 3gfg s LYS 289 Cb -0.11 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 3gfg s LYS 289 CO 0.15 0.09 0.00 -1.17 -0.92 0.00 0.00 175.35 173.50 3gfg s LEU 290 N 0.91 3.22 -0.20 3.17 2.96 0.86 -1.70 118.68 127.91 3gfg s LEU 290 Ca 0.05 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3gfg s LEU 290 Cb -0.13 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3gfg s LEU 290 CO 0.03 0.04 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.19 3gfg s THR 291 N 1.16 3.78 -0.02 3.68 2.01 0.05 -0.12 115.64 126.19 3gfg s THR 291 Ca 0.03 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 61.73 3gfg s THR 291 Cb -0.14 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 3gfg s THR 291 CO 0.01 0.43 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.23 3gfg s THR 292 N 1.03 1.99 -0.14 -0.82 2.01 0.82 -1.06 115.64 119.48 3gfg s THR 292 Ca 0.01 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 3gfg s THR 292 Cb -0.14 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.74 3gfg s THR 292 CO 0.01 0.56 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.80 3gfg s ILE 293 N -0.56 1.16 -0.30 1.82 1.01 0.52 -0.60 121.20 124.26 3gfg s ILE 293 Ca 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3gfg s ILE 293 Cb -0.10 -1.22 0.09 0.00 0.01 0.00 0.00 42.46 41.24 3gfg s ILE 293 CO -0.01 0.28 0.04 -0.13 0.00 0.00 0.00 174.94 175.13 3gfg s ARG 294 N 1.64 1.25 7.61 2.79 3.00 -0.89 -4.81 118.95 129.54 3gfg s ARG 294 Ca 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 55.73 54.40 3gfg s ARG 294 Cb -0.14 -2.62 0.00 0.00 0.00 0.00 0.00 34.95 32.19 3gfg s ARG 294 CO -0.08 -0.86 0.00 0.41 0.00 0.00 0.00 175.30 174.76 3gfg n GLY 295 N 4.57 2.73 0.67 -3.53 0.00 -1.26 -2.60 105.19 105.76 3gfg n GLY 295 Ca -0.02 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 9.33 2.07 -4.42 1.61 7.64 -1.26 -4.92 113.62 123.68 3gfg n SER 296 Ca 0.00 -1.69 -0.41 0.00 1.01 0.00 0.00 58.87 57.78 3gfg n SER 296 Cb 0.00 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.95 5.82 -0.31 6.43 1.11 -1.07 -5.06 116.67 121.64 3gfg s ASP 297 Ca 0.34 -0.83 -0.13 0.00 0.18 0.00 0.00 52.55 52.12 3gfg s ASP 297 Cb 0.20 -2.06 -0.03 0.00 1.07 0.00 0.00 42.92 42.10 3gfg s ASP 297 CO 0.32 -0.35 0.25 -0.75 1.18 0.00 0.00 175.17 175.82 3gfg s LYS 298 N 1.61 3.75 -0.09 8.23 2.20 -1.26 -2.09 119.74 132.09 3gfg s LYS 298 Ca 0.04 -0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 3gfg s LYS 298 Cb -0.19 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 3gfg s LYS 298 CO 0.08 -0.33 -0.22 0.21 -0.36 0.00 0.00 175.35 174.72 3gfg s LYS 299 N 1.82 2.87 -0.14 4.03 2.20 0.23 -4.98 119.74 125.78 3gfg s LYS 299 Ca 0.08 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3gfg s LYS 299 Cb -0.17 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.83 3gfg s LYS 299 CO 0.11 0.29 -0.07 0.99 -0.36 0.00 0.00 175.35 176.31 3gfg s THR 300 N 0.09 3.59 -0.04 3.43 2.01 -1.26 -0.12 115.64 123.33 3gfg s THR 300 Ca -0.10 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.44 3gfg s THR 300 Cb -0.16 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.82 3gfg s THR 300 CO 0.06 0.51 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.75 3gfg s GLU 301 N 0.33 0.77 0.04 4.92 2.12 0.83 -4.95 118.70 122.76 3gfg s GLU 301 Ca -0.06 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 3gfg s GLU 301 Cb -0.15 -0.77 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 3gfg s GLU 301 CO 0.04 -0.04 0.99 0.99 -0.54 0.00 0.00 175.26 176.69 3gfg s THR 302 N 0.74 4.70 -0.34 -1.70 2.01 -1.26 -0.10 115.64 119.69 3gfg s THR 302 Ca -0.10 2.02 -0.09 0.00 0.31 0.00 0.00 61.69 63.83 3gfg s THR 302 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.11 3gfg s THR 302 CO 0.00 0.20 0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 3gfg s ILE 303 N 0.70 4.34 0.43 1.82 -1.09 0.17 -4.94 121.20 122.63 3gfg s ILE 303 Ca 0.51 -0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 57.89 3gfg s ILE 303 Cb -0.22 -3.35 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 3gfg s ILE 303 CO 0.29 -0.11 1.36 -2.84 -1.23 0.00 0.00 174.94 172.41 3gfg s PRO 304 N 1.53 3.81 0.39 2.79 0.02 -1.26 -3.51 135.00 138.77 3gfg s PRO 304 Ca 0.02 2.26 -0.23 0.00 0.02 0.00 0.00 61.00 63.07 3gfg s PRO 304 Cb -0.18 -2.69 -0.11 0.00 0.02 0.00 0.00 34.50 31.54 3gfg s PRO 304 CO 0.05 -0.66 0.95 -1.12 -0.33 0.00 0.00 177.00 175.89 3gfg s SER 305 N -0.66 7.08 0.25 2.53 0.01 -1.26 -4.99 113.70 116.67 3gfg s SER 305 Ca 0.59 1.75 -0.30 0.00 1.31 0.00 0.00 55.95 59.31 3gfg s SER 305 Cb -0.40 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.18 3gfg s SER 305 CO 0.52 -0.26 1.24 -0.69 0.41 0.00 0.00 173.24 174.46 3gfg s VAL 306 N -1.96 3.20 0.46 3.43 1.01 -1.26 -4.82 120.40 120.46 3gfg s VAL 306 Ca 0.58 1.10 -0.24 0.00 0.00 0.00 0.00 61.98 63.41 3gfg s VAL 306 Cb -0.13 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 3gfg s VAL 306 CO 0.17 0.22 1.25 0.59 0.00 0.00 0.00 175.10 177.33 3gfg n ASN 307 N 1.74 2.35 -4.76 3.32 4.13 -1.26 -4.32 115.26 116.46 3gfg n ASN 307 Ca 0.02 1.06 -0.36 0.00 1.68 0.00 0.00 54.58 56.97 3gfg n ASN 307 Cb 0.43 -1.50 0.03 0.00 -1.54 0.00 0.00 39.78 37.21 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 -0.67 2.76 -0.41 7.41 0.00 0.33 -4.50 107.32 112.24 3gfg s GLY 308 Ca 0.64 1.04 0.09 0.00 0.00 0.00 0.00 44.72 46.49 3gfg s GLY 308 CO 0.55 1.45 0.96 -1.26 0.00 0.00 0.00 173.10 174.80 3gfg n SER 309 N -1.40 -0.74 -0.23 1.64 2.88 0.67 -4.34 113.62 112.10 3gfg n SER 309 Ca 0.13 -3.28 0.11 0.00 -1.33 0.00 0.00 58.87 54.49 3gfg n SER 309 Cb 0.49 0.65 0.39 0.00 -0.75 0.00 0.00 64.21 64.99 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 2.94 0.74 -1.03 0.66 0.05 -1.90 -1.21 116.97 117.23 3gfg h TYR 310 Ca -0.02 0.02 0.30 0.00 0.05 0.00 0.00 58.73 59.08 3gfg h TYR 310 Cb 1.06 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.52 3gfg h TYR 310 CO 0.38 0.31 0.74 -0.07 -1.05 0.00 0.00 178.16 178.47 3gfg h LEU 311 N 0.66 0.01 -1.25 3.88 3.38 -1.96 -1.92 115.31 118.12 3gfg h LEU 311 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3gfg h LEU 311 Cb 0.62 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3gfg h LEU 311 CO -0.16 0.00 0.47 0.74 0.09 0.00 0.00 178.44 179.58 3gfg h THR 312 N 0.01 1.20 -0.49 0.22 2.02 -1.64 0.14 112.91 114.35 3gfg h THR 312 Ca 0.49 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.38 3gfg h THR 312 Cb 1.96 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.43 3gfg h THR 312 CO -0.01 0.19 0.02 0.22 0.37 0.00 0.00 175.52 176.32 3gfg h TYR 313 N 1.00 0.01 0.00 3.16 3.20 -1.52 -0.35 116.97 122.47 3gfg h TYR 313 Ca 0.27 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 62.00 3gfg h TYR 313 Cb -0.09 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3gfg h TYR 313 CO 0.00 -0.09 -0.85 1.88 -1.64 0.00 0.00 178.16 177.46 3gfg h TYR 314 N 0.14 0.00 -0.75 -3.82 0.05 -1.35 -0.87 116.97 110.36 3gfg h TYR 314 Ca 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 3gfg h TYR 314 Cb 0.37 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 3gfg h TYR 314 CO -0.29 0.77 0.40 0.00 -1.05 0.00 0.00 178.16 177.99 3gfg h ARG 315 N 0.00 1.04 -0.03 4.88 3.08 -0.51 -2.25 114.38 120.59 3gfg h ARG 315 Ca -0.03 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.70 3gfg h ARG 315 Cb 1.61 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 3gfg h ARG 315 CO 0.10 0.77 -0.85 0.87 -1.07 0.00 0.00 179.97 179.79 3gfg h LYS 316 N 1.05 0.37 -0.39 0.04 1.57 -0.65 -2.60 116.57 115.97 3gfg h LYS 316 Ca 0.26 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gfg h LYS 316 Cb 0.04 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3gfg h LYS 316 CO -0.04 1.03 0.24 0.82 -0.57 0.00 0.00 179.45 180.92 3gfg h ILE 317 N 0.23 1.12 -0.37 1.86 1.08 -1.15 -0.48 117.51 119.80 3gfg h ILE 317 Ca -0.05 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 64.21 3gfg h ILE 317 Cb 1.46 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.76 3gfg h ILE 317 CO 0.14 0.12 0.01 0.00 -0.69 0.00 0.00 178.15 177.73 3gfg h ALA 318 N 1.11 0.34 -0.19 1.87 0.00 -1.28 0.09 119.26 121.20 3gfg h ALA 318 Ca 0.14 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3gfg h ALA 318 Cb -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gfg h ALA 318 CO -0.03 -0.39 -0.22 0.93 0.00 0.00 0.00 179.25 179.54 3gfg h GLU 319 N 0.11 0.34 0.25 0.00 5.08 -1.37 -0.37 114.58 118.62 3gfg h GLU 319 Ca 0.18 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 319 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3gfg h GLU 319 CO -0.30 0.55 -0.12 0.77 -1.00 0.00 0.00 179.01 178.91 3gfg h SER 320 N 0.31 -0.29 0.24 1.42 0.02 0.29 0.84 113.55 116.38 3gfg h SER 320 Ca 0.05 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3gfg h SER 320 Cb 0.56 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3gfg h SER 320 CO 0.04 -0.06 -0.22 0.40 -1.14 0.00 0.00 176.83 175.85 3gfg h ILE 321 N -0.51 0.53 0.00 3.27 2.04 -0.91 -2.06 117.51 119.87 3gfg h ILE 321 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gfg h ILE 321 Cb 0.38 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3gfg h ILE 321 CO 0.06 0.00 -0.31 0.54 0.00 0.00 0.00 178.15 178.43 3gfg n ARG 322 N -5.35 0.10 0.00 2.37 5.12 -0.16 -4.38 116.66 114.37 3gfg n ARG 322 Ca -0.08 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 3gfg n ARG 322 Cb 0.26 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 -1.74 -0.03 -1.23 5.56 1.02 0.28 -5.03 120.64 119.47 3gfg n GLU 323 Ca 0.05 -0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 3gfg n GLU 323 Cb 0.37 -0.52 -0.03 0.00 -0.02 0.00 0.00 31.44 31.24 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 324 N 0.01 0.97 3.77 0.62 0.00 -0.77 -4.98 105.19 104.81 3gfg n GLY 324 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.18 3.07 0.11 4.61 0.00 -1.23 -4.95 121.76 121.18 3gfg s ALA 325 Ca 0.00 0.96 -0.35 0.00 0.00 0.00 0.00 51.96 52.56 3gfg s ALA 325 Cb 0.00 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.57 3gfg s ALA 325 CO 0.00 -0.60 1.18 0.00 0.00 0.00 0.00 175.76 176.34 3gfg n ALA 326 N -0.20 -1.56 -1.63 0.00 0.00 -1.26 -4.21 120.51 111.65 3gfg n ALA 326 Ca 0.06 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.63 3gfg n ALA 326 Cb 0.47 -1.97 0.06 0.00 0.00 0.00 0.00 19.45 18.01 3gfg n ALA 326 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gfg n LEU 327 N 2.10 4.30 0.13 0.00 4.77 -1.26 -4.83 117.00 122.21 3gfg n LEU 327 Ca 0.17 0.79 -0.00 0.00 -0.03 0.00 0.00 56.01 56.94 3gfg n LEU 327 Cb 0.19 -1.43 0.26 0.00 -2.33 0.00 0.00 43.42 40.11 3gfg n LEU 327 CO 0.61 -1.68 0.65 1.55 -1.33 0.00 0.00 177.39 177.19 3gfg h PRO 328 N 0.41 0.13 -3.21 3.23 0.13 -1.90 -3.42 132.00 127.38 3gfg h PRO 328 Ca -0.49 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.35 3gfg h PRO 328 Cb 1.36 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.18 3gfg h PRO 328 CO 0.51 0.53 -0.57 0.08 -0.23 0.00 0.00 178.00 178.32 3gfg s VAL 329 N -4.10 -0.05 0.23 1.56 1.01 -1.26 -5.10 120.40 112.69 3gfg s VAL 329 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3gfg s VAL 329 Cb 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 3gfg s VAL 329 CO 0.76 0.07 0.41 0.42 0.00 0.00 0.00 175.10 176.76 3gfg s THR 330 N 1.15 5.19 0.22 3.92 -4.23 -1.26 -4.06 115.64 116.57 3gfg s THR 330 Ca -0.09 -0.46 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 3gfg s THR 330 Cb -0.11 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.17 3gfg s THR 330 CO -0.06 -0.26 1.66 0.00 -0.54 0.00 0.00 174.62 175.42 3gfg h ALA 331 N 1.68 0.65 -0.53 3.99 0.00 -1.91 -1.37 119.26 121.77 3gfg h ALA 331 Ca -0.49 0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gfg h ALA 331 Cb 1.20 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 3gfg h ALA 331 CO 0.66 -0.40 -0.10 1.49 0.00 0.00 0.00 179.25 180.90 3gfg h GLU 332 N 0.12 0.02 -0.42 0.00 4.57 -1.94 0.42 114.58 117.34 3gfg h GLU 332 Ca 0.34 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 3gfg h GLU 332 Cb 0.56 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 3gfg h GLU 332 CO -0.55 0.01 0.26 0.93 -1.18 0.00 0.00 179.01 178.47 3gfg h GLU 333 N 0.02 0.50 -0.41 1.92 5.08 -1.74 0.03 114.58 119.99 3gfg h GLU 333 Ca 0.26 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3gfg h GLU 333 Cb 0.39 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3gfg h GLU 333 CO -0.52 0.33 0.02 0.78 -1.00 0.00 0.00 179.01 178.62 3gfg h GLY 334 N 0.52 0.43 0.84 -3.84 0.00 -0.43 -2.58 103.07 98.01 3gfg h GLY 334 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3gfg h GLY 334 CO -0.07 -0.09 0.18 -2.22 0.00 0.00 0.00 176.54 174.34 3gfg h ILE 335 N 0.13 0.99 -0.72 2.60 2.04 0.70 -2.50 117.51 120.75 3gfg h ILE 335 Ca 0.20 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3gfg h ILE 335 Cb 0.28 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3gfg h ILE 335 CO -0.32 0.07 0.47 0.78 0.00 0.00 0.00 178.15 179.15 3gfg h ASN 336 N 0.37 0.59 -0.46 1.72 2.35 -0.87 -0.16 115.58 119.12 3gfg h ASN 336 Ca 0.15 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3gfg h ASN 336 Cb 0.05 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3gfg h ASN 336 CO -0.10 0.37 0.27 0.58 -1.65 0.00 0.00 177.43 176.90 3gfg h VAL 337 N 0.67 1.15 0.00 2.81 2.07 -1.05 -1.93 116.25 119.97 3gfg h VAL 337 Ca 0.32 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 3gfg h VAL 337 Cb 0.39 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3gfg h VAL 337 CO -0.11 0.16 -0.35 0.40 0.02 0.00 0.00 177.57 177.68 3gfg h ILE 338 N 0.61 0.99 -0.52 4.57 1.08 -1.09 -1.53 117.51 121.62 3gfg h ILE 338 Ca 0.16 -1.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.27 3gfg h ILE 338 Cb 0.02 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 3gfg h ILE 338 CO -0.03 0.35 0.26 0.03 -0.69 0.00 0.00 178.15 178.07 3gfg h ARG 339 N 0.00 0.74 -0.53 2.37 3.08 -0.68 -1.28 114.38 118.07 3gfg h ARG 339 Ca -0.00 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3gfg h ARG 339 Cb 0.76 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3gfg h ARG 339 CO 0.05 0.60 0.08 0.82 -1.07 0.00 0.00 179.97 180.45 3gfg h ILE 340 N 0.70 1.25 0.23 2.04 1.08 -0.88 -1.07 117.51 120.86 3gfg h ILE 340 Ca 0.18 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3gfg h ILE 340 Cb 0.10 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 3gfg h ILE 340 CO -0.02 0.35 -0.11 0.40 -0.69 0.00 0.00 178.15 178.07 3gfg h ILE 341 N 0.77 0.79 -0.47 -0.67 2.04 -1.18 -1.68 117.51 117.11 3gfg h ILE 341 Ca 0.16 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3gfg h ILE 341 Cb 0.42 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3gfg h ILE 341 CO 0.01 0.02 0.13 -0.33 0.00 0.00 0.00 178.15 177.98 3gfg h GLU 342 N -0.36 0.27 -0.86 2.37 5.08 -1.17 -0.01 114.58 119.90 3gfg h GLU 342 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3gfg h GLU 342 Cb 0.28 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3gfg h GLU 342 CO 0.05 0.18 0.51 0.00 -1.00 0.00 0.00 179.01 178.75 3gfg h ALA 343 N 1.34 1.28 -0.33 3.43 0.00 -1.10 0.19 119.26 124.07 3gfg h ALA 343 Ca 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gfg h ALA 343 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gfg h ALA 343 CO -0.27 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.71 3gfg h ALA 344 N 1.37 0.43 -0.80 0.00 0.00 -0.85 0.18 119.26 119.60 3gfg h ALA 344 Ca 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gfg h ALA 344 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3gfg h ALA 344 CO -0.06 0.06 0.35 0.52 0.00 0.00 0.00 179.25 180.12 3gfg h MET 345 N 0.38 1.18 -0.46 0.00 2.07 -0.52 -0.87 114.93 116.71 3gfg h MET 345 Ca 0.11 -0.20 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 3gfg h MET 345 Cb 0.23 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 3gfg h MET 345 CO -0.00 0.93 0.19 1.49 1.07 0.00 0.00 176.91 180.59 3gfg h GLU 346 N 1.15 0.69 -0.56 1.72 4.81 -0.52 -2.07 114.58 119.80 3gfg h GLU 346 Ca 0.27 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3gfg h GLU 346 Cb 0.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3gfg h GLU 346 CO -0.03 0.61 0.37 1.03 -0.73 0.00 0.00 179.01 180.26 3gfg h SER 347 N 0.60 0.63 -0.03 1.04 0.87 -0.68 0.48 113.55 116.48 3gfg h SER 347 Ca 0.16 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3gfg h SER 347 Cb 0.18 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3gfg h SER 347 CO -0.01 0.46 0.01 -1.28 -0.53 0.00 0.00 176.83 175.48 3gfg h SER 348 N 0.75 0.03 -0.22 6.23 0.87 -1.07 -0.23 113.55 119.91 3gfg h SER 348 Ca 0.20 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3gfg h SER 348 Cb -0.08 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3gfg h SER 348 CO -0.05 0.15 -0.11 0.50 -0.53 0.00 0.00 176.83 176.79 3gfg h LYS 349 N -0.08 0.61 -0.02 2.24 1.63 -1.19 -3.07 116.57 116.69 3gfg h LYS 349 Ca 0.01 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3gfg h LYS 349 Cb 0.12 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3gfg h LYS 349 CO -0.00 0.71 -0.18 0.39 -3.45 0.00 0.00 179.45 176.92 3gfg n GLU 350 N -4.19 1.55 -4.19 1.90 1.02 0.15 -4.97 120.64 111.90 3gfg n GLU 350 Ca 0.01 -1.14 -0.32 0.00 -0.02 0.00 0.00 57.16 55.69 3gfg n GLU 350 Cb 0.34 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 3gfg n GLU 350 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gfg n LYS 351 N 0.27 -1.35 -3.93 3.49 4.76 -0.12 -4.99 118.16 116.28 3gfg n LYS 351 Ca 0.14 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.64 3gfg n LYS 351 Cb 0.45 -3.65 -0.07 0.00 -1.84 0.00 0.00 35.03 29.92 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 -7.18 1.17 0.25 1.97 1.70 -1.05 -5.06 118.95 110.75 3gfg s ARG 352 Ca 0.08 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 53.91 3gfg s ARG 352 Cb -0.04 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 3gfg s ARG 352 CO 0.97 -0.44 1.35 0.99 -1.08 0.00 0.00 175.30 177.09 3gfg s THR 353 N -3.95 2.90 -0.25 4.99 2.01 -1.26 -4.42 115.64 115.65 3gfg s THR 353 Ca 0.16 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 62.88 3gfg s THR 353 Cb 0.03 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3gfg s THR 353 CO -0.01 0.14 0.06 -0.63 -0.69 0.00 0.00 174.62 173.49 3gfg s ILE 354 N -0.31 4.19 0.37 1.82 -1.09 0.54 -4.96 121.20 121.76 3gfg s ILE 354 Ca 0.55 -0.22 -0.26 0.00 -2.23 0.00 0.00 60.65 58.49 3gfg s ILE 354 Cb -0.39 -2.96 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 3gfg s ILE 354 CO 0.44 0.34 1.15 -0.04 -1.23 0.00 0.00 174.94 175.61 3gfg s MET 355 N 1.60 4.19 -0.15 2.79 -1.94 -1.26 -1.11 119.30 123.43 3gfg s MET 355 Ca 0.06 1.82 -0.06 0.00 -1.71 0.00 0.00 55.69 55.81 3gfg s MET 355 Cb -0.15 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 3gfg s MET 355 CO 0.03 -0.19 0.06 -0.51 -0.01 0.00 0.00 175.02 174.39 3gfg s LEU 356 N -2.27 3.83 0.00 -0.03 1.43 -0.33 -4.94 118.68 116.36 3gfg s LEU 356 Ca 0.54 0.15 0.18 0.00 -1.03 0.00 0.00 54.13 53.98 3gfg s LEU 356 Cb -0.31 -1.94 0.14 0.00 0.03 0.00 0.00 46.19 44.12 3gfg s LEU 356 CO 0.39 0.26 1.07 -1.84 0.23 0.00 0.00 176.35 176.46