#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg n ARG 9 N 0.00 0.71 -1.80 -0.14 5.12 -1.26 -5.12 116.66 114.17 3gfg n ARG 9 Ca 0.00 -1.60 -0.41 0.00 -1.93 0.00 0.00 57.85 53.91 3gfg n ARG 9 Cb 0.00 0.92 -0.01 0.00 -1.16 0.00 0.00 32.46 32.21 3gfg n ARG 9 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3gfg s LYS 10 N -2.71 4.12 -0.74 5.56 2.20 -1.26 -4.96 119.74 121.95 3gfg s LYS 10 Ca 0.11 2.57 -0.18 0.00 -0.36 0.00 0.00 55.97 58.11 3gfg s LYS 10 Cb 0.01 -2.99 0.14 0.00 -1.51 0.00 0.00 37.83 33.47 3gfg s LYS 10 CO 0.07 -0.57 0.83 0.08 -0.36 0.00 0.00 175.35 175.40 3gfg s VAL 11 N -0.65 5.00 0.82 4.02 1.01 -1.26 -5.04 120.40 124.30 3gfg s VAL 11 Ca 0.57 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3gfg s VAL 11 Cb -0.47 -4.56 0.10 0.00 0.00 0.00 0.00 36.38 31.45 3gfg s VAL 11 CO 0.57 -1.20 1.17 -1.81 0.00 0.00 0.00 175.10 173.83 3gfg s ASP 12 N 3.26 4.28 0.53 3.32 1.01 -1.26 -5.03 116.67 122.78 3gfg s ASP 12 Ca 0.18 0.57 -0.21 0.00 0.71 0.00 0.00 52.55 53.81 3gfg s ASP 12 Cb -0.16 -1.00 -0.07 0.00 1.01 0.00 0.00 42.92 42.70 3gfg s ASP 12 CO -0.02 -2.01 1.06 0.35 0.21 0.00 0.00 175.17 174.76 3gfg n THR 13 N -3.31 3.28 -2.48 -1.27 -2.24 -1.26 -4.95 114.28 102.05 3gfg n THR 13 Ca 0.10 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 3gfg n THR 13 Cb 0.61 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.39 4.30 -0.30 2.28 1.01 0.17 -4.83 121.20 122.44 3gfg s ILE 14 Ca 0.70 1.62 -0.24 0.00 0.00 0.00 0.00 60.65 62.73 3gfg s ILE 14 Cb -0.46 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3gfg s ILE 14 CO 0.51 0.00 0.83 -0.54 0.00 0.00 0.00 174.94 175.74 3gfg s LYS 15 N 2.15 4.01 -0.14 2.79 -0.14 -1.26 -1.17 119.74 125.97 3gfg s LYS 15 Ca 0.55 0.69 -0.03 0.00 -1.36 0.00 0.00 55.97 55.83 3gfg s LYS 15 Cb -0.24 -3.72 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 3gfg s LYS 15 CO 0.22 -0.68 -0.04 0.08 -0.76 0.00 0.00 175.35 174.17 3gfg s VAL 16 N 3.02 3.91 -0.19 3.17 1.01 0.43 -1.05 120.40 130.70 3gfg s VAL 16 Ca 0.34 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 3gfg s VAL 16 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3gfg s VAL 16 CO 0.12 0.52 0.02 -0.83 0.00 0.00 0.00 175.10 174.93 3gfg s GLY 17 N 0.09 1.79 -0.21 4.51 0.00 -0.03 -0.70 107.32 112.77 3gfg s GLY 17 Ca -0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.77 3gfg s GLY 17 CO 0.03 0.11 0.08 -0.42 0.00 0.00 0.00 173.10 172.90 3gfg s ILE 18 N 0.64 4.80 -0.26 0.90 1.01 0.36 -1.14 121.20 127.52 3gfg s ILE 18 Ca 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 3gfg s ILE 18 Cb -0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3gfg s ILE 18 CO 0.02 0.41 0.35 -0.76 0.00 0.00 0.00 174.94 174.96 3gfg s LEU 19 N 0.79 4.05 0.00 2.97 1.43 -0.17 0.10 118.68 127.84 3gfg s LEU 19 Ca 0.04 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3gfg s LEU 19 Cb -0.13 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3gfg s LEU 19 CO 0.02 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3gfg n GLY 20 N 4.61 -0.81 2.75 -3.19 0.00 0.62 -1.12 105.19 108.06 3gfg n GLY 20 Ca -0.09 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 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 0.23 1.03 -0.24 1.61 9.36 -1.26 -4.45 117.16 123.44 3gfg n TYR 21 Ca 0.00 -2.41 0.00 0.00 3.32 0.00 0.00 57.90 58.81 3gfg n TYR 21 Cb 0.00 -0.20 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 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 -0.39 1.45 0.36 2.98 0.00 -1.26 -4.50 105.19 103.84 3gfg n GLY 22 Ca 0.07 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.92 0.05 0.99 5.85 -1.96 -0.66 115.31 118.65 3gfg h LEU 23 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3gfg h LEU 23 Cb 0.00 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3gfg h LEU 23 CO 0.00 -0.47 -0.09 0.28 -0.34 0.00 0.00 178.44 177.82 3gfg h SER 24 N -0.69 -0.25 -0.57 1.25 0.02 -1.94 0.11 113.55 111.48 3gfg h SER 24 Ca -0.01 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 3gfg h SER 24 Cb 0.63 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3gfg h SER 24 CO -0.08 -0.14 -0.08 1.23 -1.14 0.00 0.00 176.83 176.62 3gfg h GLY 25 N -0.18 1.14 0.03 -3.77 0.00 -1.77 0.03 103.07 98.55 3gfg h GLY 25 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3gfg h GLY 25 CO -0.06 0.83 -1.96 -1.14 0.00 0.00 0.00 176.54 174.21 3gfg n SER 26 N -4.15 0.03 -0.05 0.19 3.41 -0.26 -1.31 113.62 111.48 3gfg n SER 26 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3gfg n SER 26 Cb 0.39 1.94 -0.05 0.00 -0.26 0.00 0.00 64.21 66.24 3gfg n SER 26 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gfg n VAL 27 N -2.27 0.61 0.02 -3.33 0.31 0.36 -4.43 118.33 109.60 3gfg n VAL 27 Ca -0.04 -0.22 0.07 0.00 -0.01 0.00 0.00 64.34 64.14 3gfg n VAL 27 Cb 0.57 -1.03 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 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 -2.95 0.47 -0.02 3.52 3.72 -0.56 -4.46 117.46 117.18 3gfg n PHE 28 Ca -0.20 0.14 -0.05 0.00 -0.05 0.00 0.00 57.45 57.30 3gfg n PHE 28 Cb 0.69 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.56 0.00 -0.25 1.38 8.25 -0.11 -4.64 115.22 117.28 3gfg n HIS 29 Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3gfg n HIS 29 Cb 0.69 -0.26 0.07 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.49 0.36 2.00 -1.41 0.00 -1.42 -1.12 103.07 101.00 3gfg h GLY 30 Ca -0.02 0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3gfg h GLY 30 CO -0.01 -0.26 -0.24 -2.55 0.00 0.00 0.00 176.54 173.48 3gfg h PRO 31 N -0.04 0.00 -0.07 4.80 0.11 -1.78 -1.39 132.00 133.63 3gfg h PRO 31 Ca 0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.42 3gfg h PRO 31 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 3gfg h PRO 31 CO -0.76 0.24 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.17 3gfg h LEU 32 N 0.00 0.13 -1.55 2.35 3.38 -1.48 -3.23 115.31 114.92 3gfg h LEU 32 Ca -0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3gfg h LEU 32 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3gfg h LEU 32 CO 0.03 0.49 -0.12 -0.07 0.09 0.00 0.00 178.44 178.86 3gfg h LEU 33 N -0.22 0.13 -1.80 1.67 3.38 -0.98 -2.62 115.31 114.87 3gfg h LEU 33 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3gfg h LEU 33 Cb 0.43 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gfg h LEU 33 CO 0.01 0.27 -0.15 -0.78 0.09 0.00 0.00 178.44 177.88 3gfg h ASP 34 N 0.14 0.00 0.45 -0.43 3.58 -1.28 -2.97 116.42 115.90 3gfg h ASP 34 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gfg h ASP 34 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3gfg h ASP 34 CO 0.02 0.15 -1.39 1.33 -2.88 0.00 0.00 179.24 176.47 3gfg n VAL 35 N -3.78 0.25 -2.90 2.25 0.24 -0.99 -4.80 118.33 108.60 3gfg n VAL 35 Ca -0.02 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 3gfg n VAL 35 Cb 0.26 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 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 -4.61 4.08 0.00 1.34 1.43 -1.12 -4.94 118.68 114.85 3gfg s LEU 36 Ca -0.02 1.03 0.30 0.00 -1.03 0.00 0.00 54.13 54.40 3gfg s LEU 36 Cb 0.13 -3.18 1.42 0.00 0.03 0.00 0.00 46.19 44.59 3gfg s LEU 36 CO 0.84 -0.51 1.96 -0.90 0.23 0.00 0.00 176.35 177.98 3gfg n ASP 37 N 5.98 0.46 -0.18 2.29 5.68 -1.26 -2.84 116.55 126.68 3gfg n ASP 37 Ca 0.05 -0.80 0.28 0.00 -0.50 0.00 0.00 54.79 53.82 3gfg n ASP 37 Cb 0.48 -0.06 0.71 0.00 -1.14 0.00 0.00 41.12 41.10 3gfg n ASP 37 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gfg h GLU 38 N 0.64 0.03 -6.29 0.11 3.07 -1.92 -3.44 114.58 106.77 3gfg h GLU 38 Ca 0.00 -0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 3gfg h GLU 38 Cb 0.27 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.07 3gfg h GLU 38 CO 0.00 0.02 -0.63 0.71 -1.40 0.00 0.00 179.01 177.70 3gfg s TYR 39 N -5.01 3.02 -0.05 4.33 2.02 -1.13 0.46 117.35 121.00 3gfg s TYR 39 Ca -0.05 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 3gfg s TYR 39 Cb 0.22 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 3gfg s TYR 39 CO 0.77 0.50 0.03 -1.14 -1.57 0.00 0.00 175.55 174.14 3gfg s GLN 40 N -2.59 0.26 -0.55 -0.62 0.74 -0.32 -4.80 119.66 111.79 3gfg s GLN 40 Ca 0.28 0.21 -0.26 0.00 0.05 0.00 0.00 55.36 55.64 3gfg s GLN 40 Cb -0.11 -0.67 0.04 0.00 1.10 0.00 0.00 33.01 33.36 3gfg s GLN 40 CO 0.20 -0.28 1.04 0.42 -0.55 0.00 0.00 175.29 176.12 3gfg s ILE 41 N 1.84 4.26 -0.06 -2.34 1.09 -1.26 -0.43 121.20 124.30 3gfg s ILE 41 Ca 0.02 0.58 -0.08 0.00 -1.10 0.00 0.00 60.65 60.07 3gfg s ILE 41 Cb -0.12 -4.60 -0.29 0.00 -1.06 0.00 0.00 42.46 36.39 3gfg s ILE 41 CO -0.04 -1.16 0.61 0.28 -0.10 0.00 0.00 174.94 174.53 3gfg h SER 42 N 9.37 0.53 -4.99 3.58 0.02 -1.27 -3.38 113.55 117.39 3gfg h SER 42 Ca -0.25 -0.87 -0.14 0.00 -0.84 0.00 0.00 61.79 59.69 3gfg h SER 42 Cb 1.07 -0.17 -0.20 0.00 0.14 0.00 0.00 62.40 63.23 3gfg h SER 42 CO 1.12 1.75 -0.43 -0.54 -1.14 0.00 0.00 176.83 177.58 3gfg s LYS 43 N -2.58 0.55 -0.06 3.45 1.02 -1.12 -0.47 119.74 120.53 3gfg s LYS 43 Ca -0.17 -0.38 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 3gfg s LYS 43 Cb 0.06 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.63 3gfg s LYS 43 CO 0.83 -0.14 0.03 0.42 -0.92 0.00 0.00 175.35 175.58 3gfg s ILE 44 N -1.49 0.12 -0.55 2.17 1.01 -0.75 -0.49 121.20 121.21 3gfg s ILE 44 Ca -0.14 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 3gfg s ILE 44 Cb -0.06 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.10 3gfg s ILE 44 CO 0.02 0.21 1.10 -0.32 0.00 0.00 0.00 174.94 175.94 3gfg s MET 45 N 2.08 3.49 -0.04 2.79 1.75 0.11 -1.17 119.30 128.31 3gfg s MET 45 Ca 0.05 0.13 -0.29 0.00 -1.25 0.00 0.00 55.69 54.33 3gfg s MET 45 Cb -0.12 -4.01 0.10 0.00 2.84 0.00 0.00 34.83 33.64 3gfg s MET 45 CO -0.04 -1.57 0.87 -0.08 -0.65 0.00 0.00 175.02 173.55 3gfg s THR 46 N 4.54 0.00 -0.94 10.11 -1.32 -0.78 -0.28 115.64 126.97 3gfg s THR 46 Ca 0.40 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.14 3gfg s THR 46 Cb -0.09 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.00 3gfg s THR 46 CO 0.24 0.00 1.58 -1.54 -2.21 0.00 0.00 174.62 172.70 3gfg n SER 47 N 0.18 0.38 -4.05 8.08 3.41 -1.26 -4.60 113.62 115.77 3gfg n SER 47 Ca -0.11 0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 3gfg n SER 47 Cb 0.60 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.61 3.35 -0.01 4.33 1.74 -1.26 -4.78 116.66 118.41 3gfg n ARG 48 Ca 0.06 -3.36 -0.13 0.00 -0.77 0.00 0.00 57.85 53.65 3gfg n ARG 48 Cb 0.35 -3.10 -0.08 0.00 -1.02 0.00 0.00 32.46 28.61 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gfg h THR 49 N 4.21 1.29 -0.30 0.55 2.02 -2.00 -2.01 112.91 116.66 3gfg h THR 49 Ca 0.42 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 3gfg h THR 49 Cb 0.71 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3gfg h THR 49 CO 1.58 0.24 0.05 -0.33 0.37 0.00 0.00 175.52 177.44 3gfg h GLU 50 N -0.27 0.43 -0.48 6.66 4.39 -2.00 -1.10 114.58 122.21 3gfg h GLU 50 Ca 0.01 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 3gfg h GLU 50 Cb 0.39 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3gfg h GLU 50 CO 0.00 0.42 -0.07 0.93 -1.16 0.00 0.00 179.01 179.13 3gfg h GLU 51 N 0.43 0.90 -0.23 2.33 3.07 -1.94 -2.77 114.58 116.37 3gfg h GLU 51 Ca 0.10 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 58.47 3gfg h GLU 51 Cb 0.20 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3gfg h GLU 51 CO -0.00 0.97 -0.52 0.28 -1.40 0.00 0.00 179.01 178.34 3gfg h VAL 52 N 0.75 1.30 -0.70 3.13 2.07 -0.60 -2.72 116.25 119.49 3gfg h VAL 52 Ca 0.13 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 3gfg h VAL 52 Cb 0.62 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3gfg h VAL 52 CO 0.04 0.55 0.34 0.50 0.02 0.00 0.00 177.57 179.03 3gfg h LYS 53 N 0.52 0.99 -0.21 1.57 3.64 -1.27 0.31 116.57 122.12 3gfg h LYS 53 Ca 0.02 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 3gfg h LYS 53 Cb 1.08 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3gfg h LYS 53 CO 0.11 0.76 -0.49 -0.09 -2.27 0.00 0.00 179.45 177.46 3gfg h ARG 54 N 0.99 0.56 0.05 1.90 2.43 -1.38 -3.09 114.38 115.84 3gfg h ARG 54 Ca 0.24 -0.32 -0.34 0.00 -0.81 0.00 0.00 59.98 58.75 3gfg h ARG 54 Cb 0.09 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3gfg h ARG 54 CO -0.03 0.92 -2.00 -0.25 -1.51 0.00 0.00 179.97 177.11 3gfg n ASP 55 N -3.99 1.41 -3.36 -3.80 8.00 -1.04 -4.64 116.55 109.14 3gfg n ASP 55 Ca -0.03 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 3gfg n ASP 55 Cb 0.57 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 41.28 3gfg n ASP 55 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gfg n PHE 56 N -3.21 0.43 0.18 1.24 3.72 0.11 -4.99 117.46 114.94 3gfg n PHE 56 Ca -0.28 -3.65 0.07 0.00 -0.05 0.00 0.00 57.45 53.54 3gfg n PHE 56 Cb 1.06 -0.22 0.40 0.00 -0.94 0.00 0.00 39.48 39.77 3gfg n PHE 56 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3gfg h PRO 57 N 4.66 0.00 -0.06 -1.08 0.11 -1.69 0.98 132.00 134.93 3gfg h PRO 57 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gfg h PRO 57 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3gfg h PRO 57 CO 0.52 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 3gfg n ASP 58 N -2.14 1.82 -4.79 -2.05 8.00 -1.26 -4.98 116.55 111.14 3gfg n ASP 58 Ca -0.01 -1.45 -0.36 0.00 0.71 0.00 0.00 54.79 53.67 3gfg n ASP 58 Cb 0.34 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.68 3.18 -0.10 2.24 0.00 0.34 -4.93 121.76 121.79 3gfg s ALA 59 Ca 0.10 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 3gfg s ALA 59 Cb 0.06 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 3gfg s ALA 59 CO 0.09 0.13 0.42 -2.00 0.00 0.00 0.00 175.76 174.41 3gfg s GLU 60 N -2.25 4.23 -0.06 0.00 2.12 0.38 -4.92 118.70 118.19 3gfg s GLU 60 Ca 0.53 0.37 -0.24 0.00 0.36 0.00 0.00 54.97 55.98 3gfg s GLU 60 Cb -0.18 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3gfg s GLU 60 CO 0.23 0.29 0.74 0.08 -0.54 0.00 0.00 175.26 176.05 3gfg s VAL 61 N 0.22 5.02 0.34 3.70 1.01 -1.26 -1.81 120.40 127.63 3gfg s VAL 61 Ca 0.23 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.77 3gfg s VAL 61 Cb -0.15 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3gfg s VAL 61 CO 0.10 0.23 0.06 0.68 0.00 0.00 0.00 175.10 176.17 3gfg s VAL 62 N 0.87 1.15 0.00 2.92 -7.23 -0.32 -4.95 120.40 112.85 3gfg s VAL 62 Ca 0.39 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3gfg s VAL 62 Cb -0.18 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.03 3gfg s VAL 62 CO 0.19 0.00 0.00 1.41 -0.31 0.00 0.00 175.10 176.39 3gfg n HIS 63 N -0.74 0.00 -4.95 2.82 8.25 -1.26 -1.87 115.22 117.46 3gfg n HIS 63 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 3gfg n HIS 63 Cb 0.66 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.65 1.71 0.33 -0.41 2.56 -1.26 -4.92 118.70 116.06 3gfg s GLU 64 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 54.97 54.12 3gfg s GLU 64 Cb 0.00 -1.76 0.78 0.00 2.00 0.00 0.00 34.13 35.15 3gfg s GLU 64 CO 0.00 0.47 1.82 1.25 -0.56 0.00 0.00 175.26 178.24 3gfg h LEU 65 N 5.19 0.73 -2.78 2.70 5.85 -2.01 -2.18 115.31 122.80 3gfg h LEU 65 Ca -0.43 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3gfg h LEU 65 Cb 1.14 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3gfg h LEU 65 CO 0.46 0.32 0.06 -0.33 -0.34 0.00 0.00 178.44 178.60 3gfg h GLU 66 N 0.74 0.00 0.00 1.25 3.07 -1.97 -1.57 114.58 116.10 3gfg h GLU 66 Ca 0.52 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.26 3gfg h GLU 66 Cb 0.82 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 3gfg h GLU 66 CO -0.28 0.00 -0.54 0.93 -1.40 0.00 0.00 179.01 177.71 3gfg h GLU 67 N 0.00 0.00 0.00 2.33 5.08 -1.79 0.10 114.58 120.30 3gfg h GLU 67 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3gfg h GLU 67 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gfg h GLU 67 CO -0.00 0.54 -0.33 0.82 -1.00 0.00 0.00 179.01 179.04 3gfg h ILE 68 N 0.00 0.38 -0.69 3.13 1.08 -1.49 -3.35 117.51 116.58 3gfg h ILE 68 Ca -0.01 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.16 3gfg h ILE 68 Cb 1.07 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 3gfg h ILE 68 CO 0.07 0.13 0.41 0.71 -0.69 0.00 0.00 178.15 178.78 3gfg h THR 69 N -1.00 1.03 -0.29 -0.27 1.35 -1.39 -2.10 112.91 110.24 3gfg h THR 69 Ca -0.05 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3gfg h THR 69 Cb 0.48 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 3gfg h THR 69 CO -0.03 0.14 0.00 0.59 -0.25 0.00 0.00 175.52 175.97 3gfg n ASN 70 N -4.73 1.69 -4.50 5.36 3.02 0.34 -4.74 115.26 111.71 3gfg n ASN 70 Ca 0.08 -1.93 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 3gfg n ASN 70 Cb 0.13 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gfg s ASP 71 N -1.12 6.31 0.54 6.41 -1.08 -0.79 -4.94 116.67 122.00 3gfg s ASP 71 Ca 0.24 -0.47 0.24 0.00 -0.52 0.00 0.00 52.55 52.04 3gfg s ASP 71 Cb 0.13 -2.34 1.43 0.00 -1.46 0.00 0.00 42.92 40.68 3gfg s ASP 71 CO 0.17 -0.89 2.05 1.55 0.52 0.00 0.00 175.17 178.56 3gfg h PRO 72 N 8.99 0.00 -0.01 4.34 0.13 -1.86 -2.92 132.00 140.67 3gfg h PRO 72 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 3gfg h PRO 72 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3gfg h PRO 72 CO 0.95 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 178.08 3gfg h ALA 73 N 1.79 0.91 -2.74 -0.56 0.00 -1.94 -3.44 119.26 113.28 3gfg h ALA 73 Ca 0.16 -0.58 -0.52 0.00 0.00 0.00 0.00 54.91 53.98 3gfg h ALA 73 Cb 0.69 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.41 3gfg h ALA 73 CO -0.00 0.79 0.55 0.42 0.00 0.00 0.00 179.25 181.00 3gfg s ILE 74 N -3.59 3.40 -0.02 0.00 -1.09 -1.11 -4.65 121.20 114.14 3gfg s ILE 74 Ca -0.02 1.27 0.01 0.00 -2.23 0.00 0.00 60.65 59.69 3gfg s ILE 74 Cb 0.12 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3gfg s ILE 74 CO 0.77 0.25 0.00 -0.62 -1.23 0.00 0.00 174.94 174.12 3gfg n GLU 75 N 1.83 3.37 -4.64 2.79 1.02 -0.21 -4.94 120.64 119.84 3gfg n GLU 75 Ca 0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 3gfg n GLU 75 Cb 0.44 -1.04 -0.17 0.00 -0.02 0.00 0.00 31.44 30.65 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 -4.22 1.70 -0.18 -4.62 2.96 -0.91 -1.19 118.68 112.22 3gfg s LEU 76 Ca -0.01 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3gfg s LEU 76 Cb 0.01 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 3gfg s LEU 76 CO 0.07 0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.37 3gfg s VAL 77 N 0.68 3.27 -0.29 1.68 1.01 0.11 -0.85 120.40 126.00 3gfg s VAL 77 Ca -0.14 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3gfg s VAL 77 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3gfg s VAL 77 CO 0.04 0.47 0.46 -0.63 0.00 0.00 0.00 175.10 175.44 3gfg s ILE 78 N 0.99 5.09 -0.48 2.22 -1.09 -0.29 -1.58 121.20 126.06 3gfg s ILE 78 Ca -0.01 0.58 -0.16 0.00 -2.23 0.00 0.00 60.65 58.83 3gfg s ILE 78 Cb -0.15 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 36.98 3gfg s ILE 78 CO -0.00 0.01 0.42 -0.69 -1.23 0.00 0.00 174.94 173.44 3gfg s VAL 79 N 2.25 5.20 -0.10 2.92 1.01 0.40 -1.00 120.40 131.08 3gfg s VAL 79 Ca 0.18 -1.01 0.14 0.00 0.00 0.00 0.00 61.98 61.30 3gfg s VAL 79 Cb -0.16 -4.14 0.22 0.00 0.00 0.00 0.00 36.38 32.30 3gfg s VAL 79 CO 0.11 -0.60 1.11 0.35 0.00 0.00 0.00 175.10 176.07 3gfg n THR 80 N 5.24 1.52 -1.82 3.92 -2.24 -0.28 -2.38 114.28 118.25 3gfg n THR 80 Ca -0.12 -1.81 -0.29 0.00 -2.27 0.00 0.00 64.05 59.56 3gfg n THR 80 Cb 0.44 -0.05 0.10 0.00 -2.10 0.00 0.00 70.33 68.71 3gfg n THR 80 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gfg s THR 81 N -2.27 2.10 0.26 4.28 -4.23 -1.22 -4.71 115.64 109.85 3gfg s THR 81 Ca 0.24 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 3gfg s THR 81 Cb 0.21 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.94 3gfg s THR 81 CO 0.02 -0.04 1.12 -2.65 -0.54 0.00 0.00 174.62 172.53 3gfg n PRO 82 N -3.39 1.49 -0.08 3.99 -0.02 -1.26 -4.73 135.00 131.00 3gfg n PRO 82 Ca 0.08 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3gfg n PRO 82 Cb 0.60 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 3gfg n PRO 82 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gfg n SER 83 N 1.46 -0.13 0.00 2.55 2.88 -1.26 -0.55 113.62 118.57 3gfg n SER 83 Ca 0.10 0.35 0.09 0.00 -1.33 0.00 0.00 58.87 58.09 3gfg n SER 83 Cb 0.31 -0.08 0.54 0.00 -0.75 0.00 0.00 64.21 64.23 3gfg n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gfg n GLY 84 N -1.09 -0.66 0.12 0.46 0.00 -1.26 -1.96 105.19 100.80 3gfg n GLY 84 Ca 0.02 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.06 0.93 -0.08 0.99 4.32 0.29 -4.70 117.00 117.69 3gfg n LEU 85 Ca 0.13 -0.61 -0.07 0.00 -0.02 0.00 0.00 56.01 55.45 3gfg n LEU 85 Cb 0.08 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.88 3gfg n LEU 85 CO 0.11 0.20 0.77 0.45 -1.22 0.00 0.00 177.39 177.70 3gfg h HIS 86 N 0.59 -0.31 0.01 -1.77 3.86 -1.41 -0.19 115.15 115.93 3gfg h HIS 86 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gfg h HIS 86 Cb 0.36 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3gfg h HIS 86 CO 0.00 -0.20 -0.00 -0.92 0.86 0.00 0.00 177.93 177.67 3gfg h TYR 87 N -0.08 -0.01 -0.20 2.45 3.20 -1.84 -0.61 116.97 119.88 3gfg h TYR 87 Ca 0.16 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3gfg h TYR 87 Cb 0.31 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3gfg h TYR 87 CO -0.33 0.28 -0.08 0.93 -1.64 0.00 0.00 178.16 177.32 3gfg h GLU 88 N -0.31 -0.05 -0.31 1.82 5.08 -1.83 -0.41 114.58 118.58 3gfg h GLU 88 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3gfg h GLU 88 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3gfg h GLU 88 CO 0.00 -0.03 -0.02 0.45 -1.00 0.00 0.00 179.01 178.41 3gfg h HIS 89 N -0.05 0.61 -0.24 4.33 3.86 -0.92 -1.75 115.15 120.99 3gfg h HIS 89 Ca 0.11 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3gfg h HIS 89 Cb 0.21 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3gfg h HIS 89 CO -0.25 0.70 0.06 1.15 0.86 0.00 0.00 177.93 180.45 3gfg h THR 90 N 0.34 1.21 -0.88 2.45 2.02 -1.05 -0.93 112.91 116.07 3gfg h THR 90 Ca 0.09 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.62 3gfg h THR 90 Cb 0.47 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 3gfg h THR 90 CO 0.02 0.21 0.57 -0.03 0.37 0.00 0.00 175.52 176.67 3gfg h MET 91 N 0.21 1.10 0.00 6.66 -1.53 -0.93 0.21 114.93 120.66 3gfg h MET 91 Ca 0.08 -0.07 -0.12 0.00 -3.44 0.00 0.00 59.70 56.15 3gfg h MET 91 Cb 0.27 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 31.05 3gfg h MET 91 CO -0.00 0.73 -0.58 0.00 0.14 0.00 0.00 176.91 177.20 3gfg h ALA 92 N 1.35 1.02 -0.13 0.39 0.00 -1.16 -0.80 119.26 119.92 3gfg h ALA 92 Ca 0.34 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3gfg h ALA 92 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gfg h ALA 92 CO -0.10 0.73 0.02 0.00 0.00 0.00 0.00 179.25 179.90 3gfg h ILE 94 N -0.01 0.79 -0.08 0.00 2.04 -0.33 -1.46 117.51 118.47 3gfg h ILE 94 Ca 0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3gfg h ILE 94 Cb 0.31 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3gfg h ILE 94 CO 0.00 0.03 -0.01 1.56 0.00 0.00 0.00 178.15 179.74 3gfg h GLN 95 N 0.18 0.10 -0.09 2.37 1.08 -1.17 0.14 115.11 117.73 3gfg h GLN 95 Ca 0.18 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3gfg h GLN 95 Cb 0.22 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3gfg h GLN 95 CO -0.25 0.13 0.00 0.00 -0.95 0.00 0.00 178.83 177.76 3gfg n ALA 96 N -2.52 2.56 -2.11 3.87 0.00 -0.93 -4.91 120.51 116.48 3gfg n ALA 96 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 3gfg n ALA 96 Cb 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.04 0.39 3.91 0.00 0.00 0.50 -5.02 105.19 106.01 3gfg n GLY 97 Ca 0.17 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.22 3.48 0.49 1.61 -0.14 -0.59 -4.95 119.74 115.41 3gfg s LYS 98 Ca 0.01 -0.33 -0.19 0.00 -1.36 0.00 0.00 55.97 54.10 3gfg s LYS 98 Cb -0.00 -3.03 -0.08 0.00 -1.68 0.00 0.00 37.83 33.03 3gfg s LYS 98 CO 0.01 0.61 1.01 -1.01 -0.76 0.00 0.00 175.35 175.21 3gfg s HIS 99 N -1.46 3.12 -0.03 3.18 3.76 -0.33 -4.29 115.29 119.24 3gfg s HIS 99 Ca 0.33 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.81 3gfg s HIS 99 Cb -0.13 -2.98 0.02 0.00 1.11 0.00 0.00 32.58 30.61 3gfg s HIS 99 CO 0.24 -0.65 -0.01 0.08 -0.85 0.00 0.00 174.74 173.55 3gfg s VAL 100 N -2.17 0.22 -0.24 -0.90 1.01 0.66 -0.71 120.40 118.27 3gfg s VAL 100 Ca 0.65 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 3gfg s VAL 100 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3gfg s VAL 100 CO 0.22 0.14 0.07 -0.69 0.00 0.00 0.00 175.10 174.85 3gfg s VAL 101 N 0.88 4.38 -0.15 2.92 1.01 -0.62 -1.48 120.40 127.35 3gfg s VAL 101 Ca -0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3gfg s VAL 101 Cb -0.12 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3gfg s VAL 101 CO -0.01 0.35 0.14 -0.04 0.00 0.00 0.00 175.10 175.54 3gfg s MET 102 N 1.47 3.77 0.82 2.72 1.00 -0.34 -0.45 119.30 128.28 3gfg s MET 102 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 55.69 55.47 3gfg s MET 102 Cb -0.15 -3.29 0.09 0.00 0.00 0.00 0.00 34.83 31.48 3gfg s MET 102 CO 0.04 0.57 1.13 -1.21 0.00 0.00 0.00 175.02 175.55 3gfg s GLU 103 N -0.43 1.76 0.44 2.03 0.41 -1.00 0.34 118.70 122.25 3gfg s GLU 103 Ca 0.12 1.43 -0.02 0.00 -0.41 0.00 0.00 54.97 56.09 3gfg s GLU 103 Cb -0.12 -1.82 -0.02 0.00 -1.78 0.00 0.00 34.13 30.39 3gfg s GLU 103 CO 0.02 -2.06 0.69 -1.59 -0.49 0.00 0.00 175.26 171.83 3gfg s LYS 104 N -4.59 3.35 0.46 1.61 0.00 -1.26 -4.04 119.74 115.28 3gfg s LYS 104 Ca 0.66 -0.16 -0.24 0.00 0.00 0.00 0.00 55.97 56.23 3gfg s LYS 104 Cb -0.22 -2.50 -0.07 0.00 0.00 0.00 0.00 37.83 35.04 3gfg s LYS 104 CO 0.54 -0.15 1.34 -1.25 0.00 0.00 0.00 175.35 175.83 3gfg s PRO 105 N -4.58 3.63 0.10 1.78 0.04 -1.26 -5.05 135.00 129.66 3gfg s PRO 105 Ca 0.46 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 3gfg s PRO 105 Cb -0.10 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 3gfg s PRO 105 CO 0.40 -0.79 1.43 1.98 0.04 0.00 0.00 177.00 180.06 3gfg h MET 106 N 2.16 -0.30 -3.53 4.56 4.05 -1.88 -3.46 114.93 116.54 3gfg h MET 106 Ca -0.50 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 58.90 3gfg h MET 106 Cb 1.27 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 32.05 3gfg h MET 106 CO 0.60 -0.20 -0.05 0.95 0.23 0.00 0.00 176.91 178.44 3gfg s THR 107 N -5.05 0.00 0.24 -0.77 -4.23 -1.26 -4.88 115.64 99.69 3gfg s THR 107 Ca -0.11 -1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3gfg s THR 107 Cb 0.07 -2.17 0.12 0.00 1.34 0.00 0.00 72.50 71.85 3gfg s THR 107 CO 0.48 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.30 3gfg h ALA 108 N 2.20 1.05 -3.51 3.99 0.00 -1.94 -3.46 119.26 117.60 3gfg h ALA 108 Ca -0.25 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 53.94 3gfg h ALA 108 Cb 1.25 -0.22 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 3gfg h ALA 108 CO 0.33 0.61 -0.80 0.95 0.00 0.00 0.00 179.25 180.34 3gfg s THR 109 N -5.11 1.32 0.23 0.00 -4.23 -1.26 -4.92 115.64 101.67 3gfg s THR 109 Ca -0.10 -1.38 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 3gfg s THR 109 Cb 0.15 -1.24 0.22 0.00 1.34 0.00 0.00 72.50 72.97 3gfg s THR 109 CO 0.82 -0.16 1.68 0.00 -0.54 0.00 0.00 174.62 176.43 3gfg h ALA 110 N 4.24 0.85 -0.66 3.99 0.00 -1.87 -2.93 119.26 122.87 3gfg h ALA 110 Ca -0.43 0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gfg h ALA 110 Cb 1.19 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 3gfg h ALA 110 CO 0.40 -0.35 0.34 0.93 0.00 0.00 0.00 179.25 180.57 3gfg h GLU 111 N 0.23 0.59 -0.71 0.00 5.08 -1.97 0.33 114.58 118.12 3gfg h GLU 111 Ca 0.38 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 3gfg h GLU 111 Cb 0.64 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3gfg h GLU 111 CO -0.51 0.39 0.41 0.93 -1.00 0.00 0.00 179.01 179.23 3gfg h GLU 112 N 0.60 0.98 0.06 2.33 5.08 -1.97 -1.58 114.58 120.08 3gfg h GLU 112 Ca 0.31 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3gfg h GLU 112 Cb 0.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3gfg h GLU 112 CO -0.23 0.72 -0.11 0.78 -1.00 0.00 0.00 179.01 179.17 3gfg h GLY 113 N 0.98 -0.18 -0.28 -3.84 0.00 -0.97 -0.43 103.07 98.33 3gfg h GLY 113 Ca 0.25 0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.84 3gfg h GLY 113 CO -0.04 -0.11 -0.15 0.83 0.00 0.00 0.00 176.54 177.06 3gfg h GLU 114 N -0.22 0.01 -0.79 4.80 4.39 -0.18 -1.28 114.58 121.32 3gfg h GLU 114 Ca 0.02 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3gfg h GLU 114 Cb 0.24 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3gfg h GLU 114 CO -0.07 0.00 0.40 1.15 -1.16 0.00 0.00 179.01 179.34 3gfg h THR 115 N 0.01 1.24 -0.29 1.13 2.02 -0.42 -1.15 112.91 115.45 3gfg h THR 115 Ca 0.31 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3gfg h THR 115 Cb 0.48 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3gfg h THR 115 CO -0.66 0.28 -0.01 -0.07 0.37 0.00 0.00 175.52 175.43 3gfg h LEU 116 N 1.11 0.51 -0.74 2.58 3.38 -0.24 -2.15 115.31 119.76 3gfg h LEU 116 Ca 0.27 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gfg h LEU 116 Cb 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3gfg h LEU 116 CO -0.04 0.70 0.42 0.50 0.09 0.00 0.00 178.44 180.11 3gfg h LYS 117 N 0.30 1.02 -0.70 1.13 3.64 -0.86 -1.68 116.57 119.42 3gfg h LYS 117 Ca 0.08 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3gfg h LYS 117 Cb 0.45 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3gfg h LYS 117 CO 0.02 0.75 0.15 0.00 -2.27 0.00 0.00 179.45 178.10 3gfg h ARG 118 N 1.01 1.13 -0.68 1.90 3.08 -1.11 -2.01 114.38 117.71 3gfg h ARG 118 Ca 0.26 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3gfg h ARG 118 Cb 0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3gfg h ARG 118 CO -0.04 1.01 0.16 0.00 -1.07 0.00 0.00 179.97 180.02 3gfg h ALA 119 N 1.08 0.89 -0.50 0.04 0.00 -1.07 -2.47 119.26 117.23 3gfg h ALA 119 Ca 0.22 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3gfg h ALA 119 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gfg h ALA 119 CO 0.01 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 3gfg h ALA 120 N 1.07 0.72 -0.28 0.00 0.00 -0.94 -1.49 119.26 118.33 3gfg h ALA 120 Ca 0.21 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3gfg h ALA 120 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gfg h ALA 120 CO 0.00 0.67 -0.21 -0.44 0.00 0.00 0.00 179.25 179.28 3gfg h ASP 121 N 0.87 0.52 -0.39 0.00 3.32 -1.38 -0.33 116.42 119.02 3gfg h ASP 121 Ca 0.12 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 3gfg h ASP 121 Cb 0.77 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3gfg h ASP 121 CO 0.06 0.73 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.94 3gfg h GLU 122 N 0.47 0.81 -0.03 3.56 4.39 -1.03 -3.20 114.58 119.55 3gfg h GLU 122 Ca 0.07 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3gfg h GLU 122 Cb 0.62 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3gfg h GLU 122 CO 0.04 0.84 -0.10 1.17 -1.16 0.00 0.00 179.01 179.81 3gfg n LYS 123 N -4.19 2.01 -1.45 2.33 3.00 -0.60 -4.95 118.16 114.31 3gfg n LYS 123 Ca 0.02 -1.61 -0.03 0.00 -0.00 0.00 0.00 58.31 56.68 3gfg n LYS 123 Cb 0.33 -1.47 -0.01 0.00 0.00 0.00 0.00 35.03 33.89 3gfg n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gfg n GLY 124 N 1.35 0.48 3.63 3.14 0.00 -0.64 -4.92 105.19 108.22 3gfg n GLY 124 Ca 0.14 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.13 3.37 -0.12 1.61 -7.23 -0.23 -5.03 120.40 110.64 3gfg s VAL 125 Ca 0.00 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.02 3gfg s VAL 125 Cb 0.00 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3gfg s VAL 125 CO 0.00 -0.38 0.55 -0.76 -0.31 0.00 0.00 175.10 174.21 3gfg s LEU 126 N -3.65 4.26 -0.14 1.32 1.43 -1.26 -4.44 118.68 116.20 3gfg s LEU 126 Ca 0.31 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3gfg s LEU 126 Cb -0.06 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.36 3gfg s LEU 126 CO 0.19 -0.07 -0.13 -0.22 0.23 0.00 0.00 176.35 176.36 3gfg s LEU 127 N 0.87 1.56 0.11 1.79 2.96 -1.26 -0.24 118.68 124.47 3gfg s LEU 127 Ca 0.29 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3gfg s LEU 127 Cb -0.16 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 3gfg s LEU 127 CO 0.12 -0.07 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.49 3gfg s SER 128 N 1.53 1.11 -0.03 3.68 0.15 -0.55 -3.28 113.70 116.32 3gfg s SER 128 Ca 0.05 -1.05 0.06 0.00 0.70 0.00 0.00 55.95 55.70 3gfg s SER 128 Cb -0.13 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3gfg s SER 128 CO -0.10 -0.50 -0.20 -0.69 1.20 0.00 0.00 173.24 172.96 3gfg s VAL 129 N -3.65 1.57 -1.41 4.45 1.01 -1.25 -1.20 120.40 119.91 3gfg s VAL 129 Ca 0.15 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3gfg s VAL 129 Cb 0.06 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3gfg s VAL 129 CO -0.03 0.45 2.52 0.00 0.00 0.00 0.00 175.10 178.03 3gfg n TYR 130 N 2.78 2.62 -2.34 5.22 9.36 0.15 -4.72 117.16 130.23 3gfg n TYR 130 Ca -0.16 -2.80 -0.43 0.00 3.32 0.00 0.00 57.90 57.83 3gfg n TYR 130 Cb 0.53 -2.34 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3gfg n TYR 130 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3gfg n HIS 131 N 4.86 3.89 1.19 2.98 8.25 -1.26 -4.40 115.22 130.72 3gfg n HIS 131 Ca 0.63 -2.97 0.13 0.00 -0.26 0.00 0.00 57.72 55.24 3gfg n HIS 131 Cb 0.29 -2.32 0.33 0.00 1.12 0.00 0.00 29.99 29.41 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 5.81 0.98 0.00 0.41 6.94 -1.26 -3.48 115.26 124.65 3gfg n ASN 132 Ca 0.45 -0.81 0.05 0.00 -0.02 0.00 0.00 54.58 54.25 3gfg n ASN 132 Cb 0.40 0.19 0.28 0.00 -2.36 0.00 0.00 39.78 38.29 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 -0.79 0.33 0.09 -3.83 3.00 -1.26 -0.43 116.66 113.78 3gfg n ARG 133 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.07 3gfg n ARG 133 Cb 0.35 -1.44 0.45 0.00 0.00 0.00 0.00 32.46 31.82 3gfg n ARG 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gfg n ARG 134 N -0.94 0.19 -0.36 5.56 1.74 -1.23 -3.28 116.66 118.34 3gfg n ARG 134 Ca 0.07 0.27 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 3gfg n ARG 134 Cb 0.03 -1.77 0.22 0.00 -1.02 0.00 0.00 32.46 29.92 3gfg n ARG 134 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3gfg n TRP 135 N -2.11 0.65 -2.33 -1.55 8.01 0.43 -4.45 117.44 116.08 3gfg n TRP 135 Ca 0.04 -0.98 -0.37 0.00 -1.31 0.00 0.00 57.50 54.88 3gfg n TRP 135 Cb 0.33 -0.28 -0.02 0.00 -2.01 0.00 0.00 31.31 29.34 3gfg n TRP 135 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3gfg s ASP 136 N -2.29 6.26 0.21 -0.99 1.11 -1.21 -0.86 116.67 118.90 3gfg s ASP 136 Ca 0.39 2.22 -0.09 0.00 0.18 0.00 0.00 52.55 55.24 3gfg s ASP 136 Cb 0.33 -2.59 0.25 0.00 1.07 0.00 0.00 42.92 41.97 3gfg s ASP 136 CO 0.06 -0.85 1.79 -0.55 1.18 0.00 0.00 175.17 176.80 3gfg h ASN 137 N 2.03 0.47 -0.58 0.27 7.08 -1.84 -1.21 115.58 121.80 3gfg h ASN 137 Ca -0.49 0.04 -0.07 0.00 -3.08 0.00 0.00 56.30 52.70 3gfg h ASN 137 Cb 1.24 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.41 3gfg h ASN 137 CO 0.60 0.29 0.08 -2.24 -2.08 0.00 0.00 177.43 174.08 3gfg h ASP 138 N 0.61 0.93 -0.38 6.14 3.04 -1.93 -1.84 116.42 122.98 3gfg h ASP 138 Ca 0.30 -0.27 -0.13 0.00 -3.24 0.00 0.00 57.03 53.69 3gfg h ASP 138 Cb 0.24 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.27 3gfg h ASP 138 CO -0.21 0.97 -0.28 0.15 -2.04 0.00 0.00 179.24 177.83 3gfg h PHE 139 N 0.86 1.01 -0.37 4.15 3.57 -1.78 -1.69 116.94 122.69 3gfg h PHE 139 Ca 0.17 -0.28 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3gfg h PHE 139 Cb 0.44 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3gfg h PHE 139 CO 0.03 1.07 0.25 -0.07 -2.23 0.00 0.00 178.31 177.36 3gfg h LEU 140 N 0.66 0.31 -0.20 0.59 3.38 -1.04 -0.78 115.31 118.23 3gfg h LEU 140 Ca 0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3gfg h LEU 140 Cb 0.86 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gfg h LEU 140 CO 0.07 0.22 -0.12 0.74 0.09 0.00 0.00 178.44 179.44 3gfg h THR 141 N 0.36 1.31 -0.36 0.22 2.02 -0.85 -1.45 112.91 114.17 3gfg h THR 141 Ca 0.15 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.16 3gfg h THR 141 Cb 0.16 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3gfg h THR 141 CO -0.03 0.36 0.18 0.40 0.37 0.00 0.00 175.52 176.80 3gfg h ILE 142 N 0.12 0.98 -0.49 3.11 2.04 -0.60 -0.78 117.51 121.88 3gfg h ILE 142 Ca 0.04 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.83 3gfg h ILE 142 Cb 0.62 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3gfg h ILE 142 CO 0.03 0.07 0.23 0.11 0.00 0.00 0.00 178.15 178.59 3gfg h LYS 143 N 0.37 0.43 0.16 2.37 1.57 -1.13 0.23 116.57 120.57 3gfg h LYS 143 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gfg h LYS 143 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3gfg h LYS 143 CO -0.11 0.29 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.76 3gfg h LYS 144 N 0.44 -0.21 -0.65 3.15 3.64 -0.84 0.31 116.57 122.41 3gfg h LYS 144 Ca 0.22 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.75 3gfg h LYS 144 Cb 0.16 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 31.91 3gfg h LYS 144 CO -0.18 -0.04 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.83 3gfg h LEU 145 N -0.34 -0.42 0.36 5.20 3.38 -0.98 -0.29 115.31 122.23 3gfg h LEU 145 Ca -0.02 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3gfg h LEU 145 Cb 0.27 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3gfg h LEU 145 CO 0.04 -0.17 -0.30 0.40 0.09 0.00 0.00 178.44 178.49 3gfg h ILE 146 N 0.06 0.37 0.00 1.22 2.04 -0.19 -1.15 117.51 119.85 3gfg h ILE 146 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 3gfg h ILE 146 Cb 0.55 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3gfg h ILE 146 CO -0.61 0.00 -0.03 0.77 0.00 0.00 0.00 178.15 178.28 3gfg h SER 147 N -0.67 0.00 -0.01 1.72 4.64 -0.34 -1.41 113.55 117.48 3gfg h SER 147 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3gfg h SER 147 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3gfg h SER 147 CO -0.03 0.03 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.34 3gfg n GLU 148 N -3.63 1.65 -0.80 4.77 1.02 -0.17 -4.93 120.64 118.54 3gfg n GLU 148 Ca -0.03 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3gfg n GLU 148 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.19 0.52 0.12 0.62 0.00 -0.53 -4.96 105.19 102.15 3gfg n GLY 149 Ca 0.19 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3gfg n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 150 N 1.41 0.80 -3.27 1.61 7.64 -0.45 -4.36 113.62 117.01 3gfg n SER 150 Ca 0.00 -0.60 -0.25 0.00 1.01 0.00 0.00 58.87 59.03 3gfg n SER 150 Cb 0.00 0.24 -0.07 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 -1.08 1.11 -4.79 -3.43 4.77 -1.23 -4.79 117.00 107.57 3gfg n LEU 151 Ca 0.08 -4.88 -0.38 0.00 -0.03 0.00 0.00 56.01 50.80 3gfg n LEU 151 Cb 0.34 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3gfg n LEU 151 CO 0.31 2.06 0.47 -1.61 -1.33 0.00 0.00 177.39 177.28 3gfg s GLU 152 N -1.47 4.47 -0.96 3.23 0.41 -1.26 -4.39 118.70 118.74 3gfg s GLU 152 Ca 0.36 1.08 -0.11 0.00 -0.41 0.00 0.00 54.97 55.89 3gfg s GLU 152 Cb 0.16 -3.13 -0.00 0.00 -1.78 0.00 0.00 34.13 29.37 3gfg s GLU 152 CO -0.09 0.51 0.71 -3.47 -0.49 0.00 0.00 175.26 172.43 3gfg n ASP 153 N 1.31 -5.68 -4.71 -0.19 -0.08 -1.26 -2.52 116.55 103.41 3gfg n ASP 153 Ca -0.05 -0.81 -0.42 0.00 -1.51 0.00 0.00 54.79 52.01 3gfg n ASP 153 Cb 0.49 -3.18 -0.03 0.00 2.34 0.00 0.00 41.12 40.74 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gfg s ILE 154 N -3.22 2.45 -0.06 5.18 1.01 -1.26 -2.84 121.20 122.46 3gfg s ILE 154 Ca 0.22 0.24 0.09 0.00 0.00 0.00 0.00 60.65 61.21 3gfg s ILE 154 Cb -0.09 -3.15 -0.14 0.00 0.01 0.00 0.00 42.46 39.10 3gfg s ILE 154 CO 0.85 0.01 0.12 -0.46 0.00 0.00 0.00 174.94 175.46 3gfg n ASN 155 N 4.43 2.65 -3.82 3.58 0.23 0.11 -4.64 115.26 117.81 3gfg n ASN 155 Ca 0.15 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.06 3gfg n ASN 155 Cb 0.37 1.05 -0.15 0.00 -2.08 0.00 0.00 39.78 38.98 3gfg n ASN 155 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3gfg s THR 156 N -2.44 -0.01 -0.26 5.53 2.01 -0.92 -1.46 115.64 118.10 3gfg s THR 156 Ca -0.04 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 3gfg s THR 156 Cb 0.04 -0.08 0.09 0.00 0.01 0.00 0.00 72.50 72.57 3gfg s THR 156 CO 0.41 0.06 0.11 -0.47 -0.69 0.00 0.00 174.62 174.03 3gfg s TYR 157 N 0.63 0.59 -0.15 4.92 5.04 -0.50 -0.38 117.35 127.49 3gfg s TYR 157 Ca -0.05 -0.89 0.02 0.00 -2.44 0.00 0.00 57.07 53.71 3gfg s TYR 157 Cb -0.08 -1.00 0.01 0.00 0.35 0.00 0.00 41.96 41.25 3gfg s TYR 157 CO -0.02 -0.74 -0.21 -0.65 -1.34 0.00 0.00 175.55 172.59 3gfg s GLN 158 N 2.01 3.03 -0.07 4.97 -0.21 0.25 -0.58 119.66 129.06 3gfg s GLN 158 Ca 0.06 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.63 3gfg s GLN 158 Cb -0.16 -2.48 0.01 0.00 1.00 0.00 0.00 33.01 31.37 3gfg s GLN 158 CO -0.26 -0.06 -0.16 0.08 -2.12 0.00 0.00 175.29 172.77 3gfg s VAL 159 N 0.93 1.42 -0.09 1.09 1.01 -0.40 -0.76 120.40 123.60 3gfg s VAL 159 Ca -0.04 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3gfg s VAL 159 Cb -0.15 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3gfg s VAL 159 CO -0.04 0.42 -0.18 -0.94 0.00 0.00 0.00 175.10 174.36 3gfg s SER 160 N 0.47 2.48 -0.57 3.32 1.04 -0.26 -1.51 113.70 118.67 3gfg s SER 160 Ca -0.14 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 55.92 3gfg s SER 160 Cb -0.16 -1.13 0.27 0.00 0.10 0.00 0.00 66.02 65.10 3gfg s SER 160 CO 0.05 0.07 0.73 0.00 0.98 0.00 0.00 173.24 175.07 3gfg n TYR 161 N 3.85 2.83 -3.13 5.02 -0.00 0.18 -4.60 117.16 121.31 3gfg n TYR 161 Ca -0.20 -4.01 -0.30 0.00 -0.00 0.00 0.00 57.90 53.38 3gfg n TYR 161 Cb 0.52 -0.51 -0.04 0.00 -0.00 0.00 0.00 39.34 39.32 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 -2.37 6.53 0.19 2.98 0.01 -1.26 -4.23 114.94 116.79 3gfg s ASN 162 Ca 0.40 0.97 -0.03 0.00 -0.71 0.00 0.00 52.86 53.49 3gfg s ASN 162 Cb 0.18 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 3gfg s ASN 162 CO -0.05 -0.26 0.16 -0.13 -1.51 0.00 0.00 177.10 175.31 3gfg s ARG 163 N -3.52 1.19 -0.57 -0.60 0.52 -0.10 -4.93 118.95 110.94 3gfg s ARG 163 Ca 0.48 -1.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.19 3gfg s ARG 163 Cb -0.11 0.29 0.14 0.00 0.52 0.00 0.00 34.95 35.80 3gfg s ARG 163 CO 0.28 -0.40 0.33 -0.47 0.02 0.00 0.00 175.30 175.06 3gfg s TYR 164 N -4.12 3.29 -0.50 -0.53 5.04 -1.25 -1.39 117.35 117.89 3gfg s TYR 164 Ca 0.34 -3.21 0.05 0.00 -2.44 0.00 0.00 57.07 51.82 3gfg s TYR 164 Cb 0.06 -2.80 0.20 0.00 0.35 0.00 0.00 41.96 39.77 3gfg s TYR 164 CO 0.10 -0.69 0.47 0.54 -1.34 0.00 0.00 175.55 174.63 3gfg n ARG 165 N 2.82 0.96 0.00 4.97 1.74 0.87 -4.96 116.66 123.05 3gfg n ARG 165 Ca 0.09 -3.65 0.13 0.00 -0.77 0.00 0.00 57.85 53.66 3gfg n ARG 165 Cb 0.33 -1.75 0.64 0.00 -1.02 0.00 0.00 32.46 30.66 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 2.04 0.23 -3.70 5.56 -0.04 -1.23 -4.78 135.00 133.09 3gfg n PRO 166 Ca 0.26 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 3gfg n PRO 166 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 3gfg n PRO 166 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3gfg s GLU 167 N -2.75 4.01 -0.06 0.54 2.56 -1.26 -4.71 118.70 117.03 3gfg s GLU 167 Ca 0.21 -0.08 -0.30 0.00 0.00 0.00 0.00 54.97 54.80 3gfg s GLU 167 Cb 0.18 -3.35 -0.03 0.00 2.00 0.00 0.00 34.13 32.93 3gfg s GLU 167 CO 0.45 0.42 1.17 0.08 -0.56 0.00 0.00 175.26 176.82 3gfg s VAL 168 N -0.03 4.32 0.00 3.70 1.01 -1.26 -5.05 120.40 123.09 3gfg s VAL 168 Ca 0.13 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3gfg s VAL 168 Cb -0.12 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3gfg s VAL 168 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3gfg n GLN 169 N 5.16 -0.15 -2.67 2.72 1.13 -1.26 -5.04 117.38 117.28 3gfg n GLN 169 Ca 0.11 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.83 3gfg n GLN 169 Cb 0.47 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.76 3gfg n GLN 169 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gfg s ALA 170 N -2.98 2.98 0.25 -1.58 0.00 -1.26 -4.81 121.76 114.36 3gfg s ALA 170 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 3gfg s ALA 170 Cb 0.00 -3.18 0.45 0.00 0.00 0.00 0.00 23.12 20.39 3gfg s ALA 170 CO 0.00 -0.07 1.62 -0.09 0.00 0.00 0.00 175.76 177.22 3gfg h ARG 171 N 1.65 0.08 -0.83 0.00 9.65 -1.98 0.15 114.38 123.10 3gfg h ARG 171 Ca -0.49 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.48 3gfg h ARG 171 Cb 1.19 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.70 3gfg h ARG 171 CO 0.60 0.05 0.54 0.11 2.80 0.00 0.00 179.97 184.08 3gfg h TRP 172 N 0.08 0.85 0.10 2.20 5.08 -1.97 0.13 115.95 122.42 3gfg h TRP 172 Ca 0.43 0.02 -0.30 0.00 1.08 0.00 0.00 58.89 60.12 3gfg h TRP 172 Cb 0.75 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 3gfg h TRP 172 CO -0.45 0.40 -1.51 0.00 -1.28 0.00 0.00 178.44 175.59 3gfg h ARG 173 N 0.79 0.21 0.00 0.12 3.08 -1.18 -3.12 114.38 114.28 3gfg h ARG 173 Ca 0.38 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gfg h ARG 173 Cb 0.43 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3gfg h ARG 173 CO -0.15 1.06 0.00 0.39 -1.07 0.00 0.00 179.97 180.19 3gfg n GLU 174 N -3.41 0.00 0.12 0.04 -0.58 -0.05 -4.54 120.64 112.22 3gfg n GLU 174 Ca -0.15 0.46 0.06 0.00 -0.42 0.00 0.00 57.16 57.11 3gfg n GLU 174 Cb 1.04 -1.35 0.02 0.00 -0.57 0.00 0.00 31.44 30.58 3gfg n GLU 174 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gfg h LYS 175 N 0.00 0.00 -6.47 3.49 1.79 -0.95 -3.44 116.57 111.00 3gfg h LYS 175 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 3gfg h LYS 175 Cb 0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3gfg h LYS 175 CO 0.00 0.22 0.76 -2.00 -1.08 0.00 0.00 179.45 177.36 3gfg s GLU 176 N -3.10 4.31 0.00 3.15 2.12 -1.18 -4.86 118.70 119.14 3gfg s GLU 176 Ca 0.02 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.36 3gfg s GLU 176 Cb 0.08 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3gfg s GLU 176 CO 0.76 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 3gfg n GLY 177 N 3.55 -1.06 3.64 -1.50 0.00 -1.26 -4.89 105.19 103.67 3gfg n GLY 177 Ca 0.12 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 3gfg n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gfg n THR 178 N -1.22 0.00 -3.76 2.61 -2.24 -1.26 -4.30 114.28 104.10 3gfg n THR 178 Ca 0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3gfg n THR 178 Cb 0.00 -0.97 0.03 0.00 -2.10 0.00 0.00 70.33 67.29 3gfg n THR 178 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfg n ALA 179 N -4.24 -2.61 -2.54 6.98 0.00 -1.26 -4.69 120.51 112.14 3gfg n ALA 179 Ca 0.11 -0.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 3gfg n ALA 179 Cb 0.52 -2.91 -0.01 0.00 0.00 0.00 0.00 19.45 17.05 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 -3.36 5.04 0.00 0.00 -4.23 -1.26 -4.80 115.64 107.03 3gfg s THR 180 Ca 0.36 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3gfg s THR 180 Cb -0.15 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.84 3gfg s THR 180 CO 0.89 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 3gfg n GLY 181 N -1.75 0.75 0.24 3.99 0.00 -1.26 -4.58 105.19 102.58 3gfg n GLY 181 Ca -0.03 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 0.07 -0.06 2.61 1.35 -1.59 -1.55 112.91 113.75 3gfg h THR 182 Ca 0.00 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3gfg h THR 182 Cb 0.00 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3gfg h THR 182 CO 0.00 0.03 -0.02 0.25 -0.25 0.00 0.00 175.52 175.54 3gfg h LEU 183 N 0.00 0.11 -0.38 3.87 5.85 -1.86 0.91 115.31 123.81 3gfg h LEU 183 Ca -0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3gfg h LEU 183 Cb 0.79 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3gfg h LEU 183 CO 0.00 0.46 0.01 1.88 -0.34 0.00 0.00 178.44 180.46 3gfg h TYR 184 N -0.24 0.73 0.14 1.25 -1.99 -1.79 -2.32 116.97 112.75 3gfg h TYR 184 Ca 0.01 -0.12 -0.26 0.00 2.00 0.00 0.00 58.73 60.36 3gfg h TYR 184 Cb 0.41 -0.19 0.03 0.00 2.00 0.00 0.00 36.73 38.98 3gfg h TYR 184 CO 0.06 0.75 -1.10 0.22 -0.00 0.00 0.00 178.16 178.08 3gfg h ASP 185 N 0.50 0.73 0.00 3.88 3.58 -1.25 -3.29 116.42 120.57 3gfg h ASP 185 Ca 0.11 -0.87 -0.22 0.00 0.42 0.00 0.00 57.03 56.48 3gfg h ASP 185 Cb 0.45 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 3gfg h ASP 185 CO 0.02 1.53 -1.80 0.18 -2.88 0.00 0.00 179.24 176.29 3gfg n LEU 186 N -3.92 2.43 -0.34 2.28 4.77 0.15 -4.59 117.00 117.79 3gfg n LEU 186 Ca -0.14 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3gfg n LEU 186 Cb 0.93 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.77 3gfg n LEU 186 CO 0.55 0.61 1.19 1.23 -1.33 0.00 0.00 177.39 179.64 3gfg h GLY 187 N 0.61 1.52 1.27 -0.72 0.00 -0.60 -2.84 103.07 102.31 3gfg h GLY 187 Ca -0.33 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.65 3gfg h GLY 187 CO -0.10 0.12 0.45 1.48 0.00 0.00 0.00 176.54 178.49 3gfg h SER 188 N 0.89 0.75 0.03 0.19 4.64 -1.51 0.14 113.55 118.68 3gfg h SER 188 Ca 0.47 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.80 3gfg h SER 188 Cb 0.49 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3gfg h SER 188 CO -0.28 0.53 -0.20 0.45 -0.87 0.00 0.00 176.83 176.46 3gfg h HIS 189 N 0.88 -0.53 0.00 4.77 3.86 -1.76 0.28 115.15 122.64 3gfg h HIS 189 Ca 0.26 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 3gfg h HIS 189 Cb -0.02 0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3gfg h HIS 189 CO -0.00 -0.29 -0.24 -0.84 0.86 0.00 0.00 177.93 177.42 3gfg h ILE 190 N -0.34 0.11 -0.16 2.45 3.07 -1.53 -2.26 117.51 118.84 3gfg h ILE 190 Ca 0.05 -1.16 -0.08 0.00 1.55 0.00 0.00 64.86 65.21 3gfg h ILE 190 Cb 0.40 1.98 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3gfg h ILE 190 CO -0.16 0.06 -0.22 0.40 -1.05 0.00 0.00 178.15 177.18 3gfg h ILE 191 N 0.00 1.35 -0.82 0.16 2.04 -0.68 -2.66 117.51 116.90 3gfg h ILE 191 Ca -0.00 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.50 3gfg h ILE 191 Cb 1.06 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 3gfg h ILE 191 CO 0.01 0.43 0.49 -0.78 0.00 0.00 0.00 178.15 178.29 3gfg h ASP 192 N 0.06 0.74 -0.75 1.72 3.58 -0.78 -1.01 116.42 119.98 3gfg h ASP 192 Ca 0.02 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3gfg h ASP 192 Cb 0.78 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 3gfg h ASP 192 CO 0.05 0.46 0.41 1.56 -2.88 0.00 0.00 179.24 178.84 3gfg h GLN 193 N 0.87 1.05 -0.46 0.28 4.20 -1.44 -0.70 115.11 118.91 3gfg h GLN 193 Ca 0.37 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 3gfg h GLN 193 Cb 0.24 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3gfg h GLN 193 CO -0.20 0.78 0.07 1.15 -0.67 0.00 0.00 178.83 179.96 3gfg h THR 194 N 1.04 1.25 -0.35 -0.54 2.02 -0.95 -1.91 112.91 113.47 3gfg h THR 194 Ca 0.26 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 3gfg h THR 194 Cb 0.04 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3gfg h THR 194 CO -0.04 0.32 -0.12 -0.07 0.37 0.00 0.00 175.52 175.98 3gfg h LEU 195 N 0.63 0.72 -0.73 2.58 3.38 -0.94 -1.32 115.31 119.64 3gfg h LEU 195 Ca 0.14 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.85 3gfg h LEU 195 Cb 0.39 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3gfg h LEU 195 CO 0.01 0.94 0.31 -0.74 0.09 0.00 0.00 178.44 179.05 3gfg h HIS 196 N 0.49 0.54 -0.05 1.13 2.76 -1.02 0.39 115.15 119.39 3gfg h HIS 196 Ca 0.08 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 3gfg h HIS 196 Cb 0.64 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3gfg h HIS 196 CO 0.05 0.12 -0.77 -0.07 -1.30 0.00 0.00 177.93 175.96 3gfg h LEU 197 N 0.49 0.44 -0.41 0.26 3.38 -1.10 -3.40 115.31 114.96 3gfg h LEU 197 Ca 0.38 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gfg h LEU 197 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gfg h LEU 197 CO -0.35 1.05 0.00 0.49 0.09 0.00 0.00 178.44 179.72 3gfg n PHE 198 N -3.80 0.00 -4.53 1.13 3.72 -0.52 -5.11 117.46 108.35 3gfg n PHE 198 Ca -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.36 3gfg n PHE 198 Cb 0.73 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 0.12 -1.33 3.77 1.37 0.00 0.13 -4.85 105.19 104.41 3gfg n GLY 199 Ca 0.00 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.08 4.25 0.75 1.61 -1.94 -1.26 -4.54 119.30 118.09 3gfg s MET 200 Ca 0.00 1.66 -0.06 0.00 -1.71 0.00 0.00 55.69 55.59 3gfg s MET 200 Cb 0.00 -2.73 0.11 0.00 2.01 0.00 0.00 34.83 34.22 3gfg s MET 200 CO 0.00 -0.10 1.05 -1.25 -0.01 0.00 0.00 175.02 174.71 3gfg s PRO 201 N -2.19 1.71 0.20 2.03 0.04 -1.26 -5.01 135.00 130.52 3gfg s PRO 201 Ca 0.54 -0.67 0.11 0.00 0.04 0.00 0.00 61.00 61.02 3gfg s PRO 201 Cb -0.27 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 3gfg s PRO 201 CO 0.33 -1.51 1.37 0.87 0.04 0.00 0.00 177.00 178.11 3gfg h LYS 202 N -0.72 0.00 -2.10 4.56 1.79 -1.25 -3.44 116.57 115.41 3gfg h LYS 202 Ca -0.41 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.00 3gfg h LYS 202 Cb 1.28 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 3gfg h LYS 202 CO 0.47 0.76 0.16 0.00 -1.08 0.00 0.00 179.45 179.77 3gfg s ALA 203 N -2.86 -1.70 -0.04 3.86 0.00 -1.24 -0.54 121.76 119.24 3gfg s ALA 203 Ca 0.02 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3gfg s ALA 203 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3gfg s ALA 203 CO 0.78 -0.38 -0.21 0.08 0.00 0.00 0.00 175.76 176.04 3gfg s VAL 204 N -1.30 1.70 -0.04 0.00 1.01 -0.14 -1.39 120.40 120.25 3gfg s VAL 204 Ca -0.11 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3gfg s VAL 204 Cb -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3gfg s VAL 204 CO 0.09 0.48 -0.12 -0.89 0.00 0.00 0.00 175.10 174.66 3gfg s THR 205 N -0.23 1.00 -0.18 3.92 2.01 -0.28 -1.05 115.64 120.83 3gfg s THR 205 Ca 0.01 -0.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 3gfg s THR 205 Cb -0.11 -0.88 0.08 0.00 0.01 0.00 0.00 72.50 71.60 3gfg s THR 205 CO 0.01 0.30 0.74 0.00 -0.69 0.00 0.00 174.62 174.99 3gfg s ALA 206 N 0.22 -1.80 -0.13 7.40 0.00 -1.26 0.51 121.76 126.70 3gfg s ALA 206 Ca -0.05 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.65 3gfg s ALA 206 Cb -0.10 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.31 3gfg s ALA 206 CO 0.01 -0.34 -0.17 1.21 0.00 0.00 0.00 175.76 176.47 3gfg s ASN 207 N -0.31 2.74 -0.09 0.00 2.47 -0.46 -2.77 114.94 116.54 3gfg s ASN 207 Ca -0.04 -0.51 -0.00 0.00 0.42 0.00 0.00 52.86 52.73 3gfg s ASN 207 Cb -0.03 -1.24 0.02 0.00 -1.45 0.00 0.00 41.25 38.55 3gfg s ASN 207 CO 0.04 0.01 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.69 3gfg s VAL 208 N 1.10 0.80 0.25 -5.21 1.01 -1.26 -1.35 120.40 115.73 3gfg s VAL 208 Ca -0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 3gfg s VAL 208 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.41 3gfg s VAL 208 CO -0.05 0.32 0.59 0.00 0.00 0.00 0.00 175.10 175.95 3gfg s MET 209 N 1.53 1.61 -0.38 2.72 0.23 -0.58 -4.97 119.30 119.46 3gfg s MET 209 Ca 0.00 -1.06 -0.10 0.00 -1.03 0.00 0.00 55.69 53.50 3gfg s MET 209 Cb -0.13 0.54 0.04 0.00 -1.53 0.00 0.00 34.83 33.75 3gfg s MET 209 CO -0.05 -0.70 0.21 0.00 -2.03 0.00 0.00 175.02 172.45 3gfg s ALA 210 N -3.95 3.25 0.01 3.16 0.00 -1.26 -1.40 121.76 121.58 3gfg s ALA 210 Ca 0.15 -1.83 0.10 0.00 0.00 0.00 0.00 51.96 50.38 3gfg s ALA 210 Cb -0.03 -2.58 -0.10 0.00 0.00 0.00 0.00 23.12 20.41 3gfg s ALA 210 CO 0.06 -1.45 1.35 1.96 0.00 0.00 0.00 175.76 177.67 3gfg h GLN 211 N 8.41 0.00 -6.84 0.00 4.20 -1.89 -3.47 115.11 115.52 3gfg h GLN 211 Ca -0.25 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 57.95 3gfg h GLN 211 Cb 1.10 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.91 3gfg h GLN 211 CO 0.68 0.81 0.53 1.03 -0.67 0.00 0.00 178.83 181.21 3gfg s ARG 212 N -2.81 4.52 0.21 1.46 0.52 -1.26 -4.95 118.95 116.65 3gfg s ARG 212 Ca 0.02 1.94 -0.32 0.00 -0.52 0.00 0.00 55.73 56.84 3gfg s ARG 212 Cb 0.09 -3.13 -0.13 0.00 0.52 0.00 0.00 34.95 32.30 3gfg s ARG 212 CO 0.79 0.06 1.56 -1.91 0.02 0.00 0.00 175.30 175.82 3gfg n GLU 213 N 1.01 2.32 -0.77 3.54 2.13 -1.26 -1.25 120.64 126.35 3gfg n GLU 213 Ca -0.01 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3gfg n GLU 213 Cb 0.44 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3gfg n GLU 213 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gfg n ASN 214 N 2.96 -2.30 -4.77 4.31 4.13 -1.26 -4.76 115.26 113.56 3gfg n ASN 214 Ca 0.14 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.04 3gfg n ASN 214 Cb 0.32 -2.37 -0.01 0.00 -1.54 0.00 0.00 39.78 36.17 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gfg s ALA 215 N -1.44 2.92 -0.02 5.41 0.00 -0.38 -4.95 121.76 123.31 3gfg s ALA 215 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3gfg s ALA 215 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3gfg s ALA 215 CO 0.00 -0.60 -0.00 0.39 0.00 0.00 0.00 175.76 175.55 3gfg n GLU 216 N -0.65 2.23 -2.02 0.00 1.02 -1.26 -4.92 120.64 115.04 3gfg n GLU 216 Ca 0.08 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 3gfg n GLU 216 Cb 0.49 -1.04 -0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gfg s THR 217 N -2.04 4.67 0.10 2.62 -4.23 -1.26 -4.75 115.64 110.76 3gfg s THR 217 Ca -0.01 0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 61.13 3gfg s THR 217 Cb 0.01 -3.83 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 3gfg s THR 217 CO 0.05 -1.03 1.57 -0.69 -0.54 0.00 0.00 174.62 173.99 3gfg s VAL 218 N -3.03 3.00 0.00 2.29 1.01 -1.26 -4.51 120.40 117.89 3gfg s VAL 218 Ca 0.56 0.58 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3gfg s VAL 218 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3gfg s VAL 218 CO 0.48 0.02 0.19 -0.90 0.00 0.00 0.00 175.10 174.89 3gfg n ASP 219 N 4.91 0.38 -3.81 3.32 5.68 -0.75 -1.40 116.55 124.88 3gfg n ASP 219 Ca 0.14 -0.93 -0.13 0.00 -0.50 0.00 0.00 54.79 53.38 3gfg n ASP 219 Cb 0.40 0.04 -0.14 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.04 -0.06 -0.02 2.11 5.04 -0.49 -2.54 117.35 121.36 3gfg s TYR 220 Ca 0.00 0.20 -0.11 0.00 -2.44 0.00 0.00 57.07 54.72 3gfg s TYR 220 Cb 0.00 -0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.26 3gfg s TYR 220 CO 0.00 -0.07 0.23 -0.59 -1.34 0.00 0.00 175.55 173.78 3gfg s PHE 221 N 0.48 -0.10 -0.18 4.97 -0.12 -0.31 -1.53 117.98 121.20 3gfg s PHE 221 Ca -0.04 0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.95 3gfg s PHE 221 Cb -0.05 0.04 0.09 0.00 -0.63 0.00 0.00 43.02 42.46 3gfg s PHE 221 CO -0.02 -0.32 0.25 -1.58 -0.05 0.00 0.00 175.22 173.50 3gfg s HIS 222 N -1.18 -0.38 -0.09 3.49 2.46 -0.46 -1.03 115.29 118.10 3gfg s HIS 222 Ca -0.12 0.53 0.02 0.00 0.47 0.00 0.00 55.06 55.95 3gfg s HIS 222 Cb -0.06 -0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.15 3gfg s HIS 222 CO 0.03 -0.53 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.10 3gfg s LEU 223 N 2.38 2.62 -0.22 8.88 1.02 0.34 -1.35 118.68 132.35 3gfg s LEU 223 Ca 0.06 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.86 3gfg s LEU 223 Cb -0.14 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.50 3gfg s LEU 223 CO -0.11 0.24 -0.04 -0.89 0.02 0.00 0.00 176.35 175.57 3gfg s THR 224 N -0.12 3.44 -0.24 5.49 2.01 0.18 0.21 115.64 126.61 3gfg s THR 224 Ca -0.02 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 3gfg s THR 224 Cb -0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3gfg s THR 224 CO 0.04 0.42 0.11 -0.76 -0.69 0.00 0.00 174.62 173.74 3gfg s LEU 225 N 1.43 3.77 -0.41 4.42 1.02 0.16 -1.13 118.68 127.94 3gfg s LEU 225 Ca 0.05 -0.04 -0.18 0.00 0.02 0.00 0.00 54.13 53.98 3gfg s LEU 225 Cb -0.14 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.08 3gfg s LEU 225 CO -0.02 0.03 0.52 -0.62 0.02 0.00 0.00 176.35 176.27 3gfg s ASP 226 N 1.24 6.26 -0.34 2.29 2.15 -0.49 -1.85 116.67 125.94 3gfg s ASP 226 Ca 0.06 -0.42 0.06 0.00 0.43 0.00 0.00 52.55 52.68 3gfg s ASP 226 Cb -0.14 -2.26 0.46 0.00 -0.30 0.00 0.00 42.92 40.67 3gfg s ASP 226 CO 0.05 -0.62 1.31 -1.22 -0.17 0.00 0.00 175.17 174.52 3gfg n TYR 227 N 5.84 2.62 0.00 -5.34 4.01 -0.59 -0.66 117.16 123.04 3gfg n TYR 227 Ca -0.05 -2.27 0.00 0.00 -0.16 0.00 0.00 57.90 55.42 3gfg n TYR 227 Cb 0.48 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.77 2.14 0.33 2.72 0.00 -1.26 -2.73 105.19 105.63 3gfg n GLY 228 Ca 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 1.01 -6.40 1.61 3.64 -1.97 -3.42 116.57 111.02 3gfg h LYS 229 Ca 0.00 -0.14 -0.54 0.00 -1.27 0.00 0.00 60.65 58.70 3gfg h LYS 229 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3gfg h LYS 229 CO 0.00 0.78 0.44 -1.17 -2.27 0.00 0.00 179.45 177.23 3gfg s LEU 230 N -9.65 4.35 -0.16 5.20 2.96 -1.10 -4.80 118.68 115.48 3gfg s LEU 230 Ca -0.11 1.72 -0.01 0.00 -0.22 0.00 0.00 54.13 55.51 3gfg s LEU 230 Cb 0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 3gfg s LEU 230 CO 0.81 -0.33 -0.12 -1.10 -1.32 0.00 0.00 176.35 174.28 3gfg s GLN 231 N 1.17 3.33 -0.19 1.98 -1.52 -0.53 -1.54 119.66 122.36 3gfg s GLN 231 Ca 0.53 -0.69 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 3gfg s GLN 231 Cb -0.23 -2.72 -0.02 0.00 -0.22 0.00 0.00 33.01 29.83 3gfg s GLN 231 CO 0.27 0.05 -0.05 0.00 -0.25 0.00 0.00 175.29 175.32 3gfg s ALA 232 N 0.76 2.86 -0.22 6.09 0.00 -0.77 -1.41 121.76 129.06 3gfg s ALA 232 Ca -0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 3gfg s ALA 232 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.36 3gfg s ALA 232 CO 0.01 -0.16 -0.09 0.42 0.00 0.00 0.00 175.76 175.94 3gfg s ILE 233 N 1.02 2.83 -0.17 0.00 -1.09 0.26 0.37 121.20 124.41 3gfg s ILE 233 Ca 0.01 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3gfg s ILE 233 Cb -0.15 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.41 3gfg s ILE 233 CO 0.00 0.36 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.15 3gfg s LEU 234 N 1.37 2.36 0.08 2.97 1.43 0.13 -1.27 118.68 125.75 3gfg s LEU 234 Ca 0.03 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 3gfg s LEU 234 Cb -0.15 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3gfg s LEU 234 CO -0.06 0.04 0.20 -0.72 0.23 0.00 0.00 176.35 176.03 3gfg s TYR 235 N 1.08 0.12 -0.29 0.29 -0.85 -0.57 0.13 117.35 117.25 3gfg s TYR 235 Ca -0.00 -0.49 -0.22 0.00 -0.52 0.00 0.00 57.07 55.84 3gfg s TYR 235 Cb -0.14 -0.04 0.16 0.00 0.38 0.00 0.00 41.96 42.31 3gfg s TYR 235 CO -0.05 -0.52 1.16 0.20 -1.52 0.00 0.00 175.55 174.81 3gfg s GLY 236 N -2.67 0.12 0.41 5.49 0.00 -0.20 0.48 107.32 110.95 3gfg s GLY 236 Ca 0.02 3.16 0.07 0.00 0.00 0.00 0.00 44.72 47.97 3gfg s GLY 236 CO -0.09 2.17 0.01 -0.32 0.00 0.00 0.00 173.10 174.87 3gfg s GLY 237 N 0.55 2.50 0.00 0.20 0.00 -1.26 -1.16 107.32 108.15 3gfg s GLY 237 Ca -0.00 -2.23 0.08 0.00 0.00 0.00 0.00 44.72 42.57 3gfg s GLY 237 CO -0.11 -2.09 0.83 1.44 0.00 0.00 0.00 173.10 173.18 3gfg n SER 238 N -0.96 1.86 -2.80 1.64 7.64 -1.05 -0.93 113.62 119.01 3gfg n SER 238 Ca -0.05 -1.46 -0.26 0.00 1.01 0.00 0.00 58.87 58.11 3gfg n SER 238 Cb 0.67 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.42 2.66 -3.92 0.44 5.41 -1.17 -0.09 119.36 123.11 3gfg n ILE 239 Ca 0.05 -5.28 -0.30 0.00 1.00 0.00 0.00 62.75 58.22 3gfg n ILE 239 Cb 0.24 -1.25 -0.14 0.00 -0.71 0.00 0.00 39.64 37.77 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 -4.67 2.15 0.35 1.39 1.01 -0.48 -4.99 120.40 115.15 3gfg s VAL 240 Ca 0.48 -2.70 0.05 0.00 0.00 0.00 0.00 61.98 59.80 3gfg s VAL 240 Cb 0.32 -2.54 0.29 0.00 0.00 0.00 0.00 36.38 34.46 3gfg s VAL 240 CO -0.15 -0.74 1.96 -0.65 0.00 0.00 0.00 175.10 175.53 3gfg h PRO 241 N 7.05 0.79 -4.32 2.72 0.11 -1.95 -3.34 132.00 133.05 3gfg h PRO 241 Ca -0.06 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.72 3gfg h PRO 241 Cb 0.95 -0.18 -0.25 0.00 0.11 0.00 0.00 31.00 31.63 3gfg h PRO 241 CO 0.58 0.52 -0.74 0.00 -0.21 0.00 0.00 178.00 178.15 3gfg s ALA 242 N -5.71 0.42 0.06 -0.75 0.00 -1.26 -4.97 121.76 109.54 3gfg s ALA 242 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3gfg s ALA 242 Cb 0.19 -0.02 -0.25 0.00 0.00 0.00 0.00 23.12 23.04 3gfg s ALA 242 CO 0.77 0.02 1.06 -0.91 0.00 0.00 0.00 175.76 176.70 3gfg h ASN 243 N 5.32 0.23 -3.92 0.00 2.35 -1.96 -3.51 115.58 114.11 3gfg h ASN 243 Ca -0.31 -0.28 0.05 0.00 -0.55 0.00 0.00 56.30 55.20 3gfg h ASN 243 Cb 1.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3gfg h ASN 243 CO 0.46 1.23 -0.08 0.61 -1.65 0.00 0.00 177.43 178.00 3gfg n GLY 244 N 1.51 -1.52 3.73 2.83 0.00 -1.26 -4.84 105.19 105.65 3gfg n GLY 244 Ca -0.09 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.74 2.40 -0.11 1.61 -0.02 -1.26 -4.75 135.00 131.12 3gfg n PRO 245 Ca -0.00 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 3gfg n PRO 245 Cb 0.08 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.03 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 2.84 0.70 -5.82 -0.52 2.43 -1.03 -3.39 114.38 109.59 3gfg h ARG 246 Ca -0.48 -0.30 -0.62 0.00 -0.81 0.00 0.00 59.98 57.77 3gfg h ARG 246 Cb 1.26 -0.02 -0.31 0.00 -0.42 0.00 0.00 29.97 30.48 3gfg h ARG 246 CO 0.64 0.90 -0.86 0.71 -1.51 0.00 0.00 179.97 179.85 3gfg s TYR 247 N -4.65 2.00 -0.17 2.20 2.02 -0.67 -1.10 117.35 116.98 3gfg s TYR 247 Ca -0.13 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 3gfg s TYR 247 Cb 0.09 -1.31 0.05 0.00 -0.40 0.00 0.00 41.96 40.39 3gfg s TYR 247 CO 0.81 -0.13 -0.02 -0.65 -1.57 0.00 0.00 175.55 173.99 3gfg s GLN 248 N -0.23 1.12 -0.15 -0.62 -0.21 0.06 -1.34 119.66 118.29 3gfg s GLN 248 Ca 0.01 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 54.94 3gfg s GLN 248 Cb -0.11 -1.98 0.02 0.00 1.00 0.00 0.00 33.01 31.94 3gfg s GLN 248 CO 0.01 -0.50 -0.18 0.42 -2.12 0.00 0.00 175.29 172.93 3gfg s ILE 249 N 1.72 1.80 -0.14 1.08 1.01 0.27 -0.58 121.20 126.35 3gfg s ILE 249 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 3gfg s ILE 249 Cb -0.16 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 3gfg s ILE 249 CO -0.07 0.50 -0.13 -1.00 0.00 0.00 0.00 174.94 174.23 3gfg s HIS 250 N 1.20 2.81 0.33 3.97 3.76 0.48 -1.14 115.29 126.70 3gfg s HIS 250 Ca 0.00 -0.75 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 3gfg s HIS 250 Cb -0.14 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.71 3gfg s HIS 250 CO -0.08 -0.29 0.13 0.41 -0.85 0.00 0.00 174.74 174.06 3gfg n GLY 251 N 3.70 3.32 0.25 -2.22 0.00 0.56 0.06 105.19 110.86 3gfg n GLY 251 Ca -0.18 -2.28 0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.33 -3.32 116.57 115.63 3gfg h LYS 252 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3gfg h LYS 252 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3gfg h LYS 252 CO 0.39 0.14 -0.62 -0.25 -2.00 0.00 0.00 179.45 177.11 3gfg n ASP 253 N -3.44 3.10 -3.76 7.07 10.43 -1.26 -5.03 116.55 123.66 3gfg n ASP 253 Ca -0.01 -0.07 -0.11 0.00 2.57 0.00 0.00 54.79 57.18 3gfg n ASP 253 Cb 0.32 0.75 -0.07 0.00 1.84 0.00 0.00 41.12 43.96 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 -1.37 -0.09 0.10 -2.24 1.04 -1.25 -0.41 113.70 109.47 3gfg s SER 254 Ca 0.00 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.23 3gfg s SER 254 Cb 0.00 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 3gfg s SER 254 CO 0.00 -0.65 -0.20 -0.44 0.98 0.00 0.00 173.24 172.93 3gfg s SER 255 N -2.24 2.39 -0.12 7.02 0.01 0.12 -0.32 113.70 120.55 3gfg s SER 255 Ca -0.03 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.56 3gfg s SER 255 Cb 0.00 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.13 3gfg s SER 255 CO -0.05 0.03 -0.11 0.12 0.41 0.00 0.00 173.24 173.64 3gfg s PHE 256 N -1.18 1.79 -0.11 2.43 5.36 -0.29 -0.90 117.98 125.08 3gfg s PHE 256 Ca 0.05 -0.92 0.03 0.00 -0.96 0.00 0.00 56.93 55.13 3gfg s PHE 256 Cb -0.10 -1.37 0.01 0.00 -0.34 0.00 0.00 43.02 41.22 3gfg s PHE 256 CO 0.04 -0.54 -0.19 0.42 -1.46 0.00 0.00 175.22 173.48 3gfg s ILE 257 N 1.45 1.76 -0.05 3.12 -1.09 -1.02 -0.57 121.20 124.80 3gfg s ILE 257 Ca 0.02 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 57.60 3gfg s ILE 257 Cb -0.13 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.21 3gfg s ILE 257 CO -0.07 0.49 0.11 -0.75 -1.23 0.00 0.00 174.94 173.49 3gfg s LYS 258 N 0.73 0.08 0.34 2.79 2.20 -0.45 -1.32 119.74 124.11 3gfg s LYS 258 Ca -0.11 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 3gfg s LYS 258 Cb -0.16 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 3gfg s LYS 258 CO 0.02 -0.11 0.50 0.71 -0.36 0.00 0.00 175.35 176.11 3gfg s TYR 259 N 0.77 3.31 0.00 4.03 2.02 -1.26 -0.48 117.35 125.74 3gfg s TYR 259 Ca -0.06 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3gfg s TYR 259 Cb -0.08 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 3gfg s TYR 259 CO -0.03 0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 3gfg n GLY 260 N -1.71 0.63 3.28 0.71 0.00 -1.26 -4.77 105.19 102.06 3gfg n GLY 260 Ca -0.03 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.83 1.52 0.34 -0.61 2.07 -1.26 -4.75 121.20 116.68 3gfg s ILE 261 Ca 0.00 -1.79 -0.29 0.00 -1.41 0.00 0.00 60.65 57.16 3gfg s ILE 261 Cb 0.00 -1.65 -0.11 0.00 0.13 0.00 0.00 42.46 40.83 3gfg s ILE 261 CO 0.00 -0.37 1.48 -0.62 -1.91 0.00 0.00 174.94 173.52 3gfg s ASP 262 N -2.52 6.43 0.00 4.50 2.15 -1.26 -4.93 116.67 121.04 3gfg s ASP 262 Ca 0.11 2.95 0.23 0.00 0.43 0.00 0.00 52.55 56.27 3gfg s ASP 262 Cb -0.05 -2.65 0.53 0.00 -0.30 0.00 0.00 42.92 40.45 3gfg s ASP 262 CO 0.04 -0.82 1.45 0.61 -0.17 0.00 0.00 175.17 176.28 3gfg n GLY 263 N 1.05 1.04 0.30 2.66 0.00 -1.26 -4.50 105.19 104.48 3gfg n GLY 263 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 3gfg n GLY 263 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gfg h GLN 264 N 3.66 1.04 -0.90 1.61 4.20 -1.93 -2.10 115.11 120.69 3gfg h GLN 264 Ca 0.00 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.57 3gfg h GLN 264 Cb 0.80 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 3gfg h GLN 264 CO 0.00 0.84 0.59 0.93 -0.67 0.00 0.00 178.83 180.52 3gfg h GLU 265 N 1.00 1.11 -0.54 1.46 5.08 -2.00 0.07 114.58 120.77 3gfg h GLU 265 Ca 0.24 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3gfg h GLU 265 Cb 0.16 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3gfg h GLU 265 CO -0.03 0.73 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.15 3gfg h ASP 266 N 1.14 1.04 -0.69 1.42 3.32 -1.78 -1.65 116.42 119.22 3gfg h ASP 266 Ca 0.35 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3gfg h ASP 266 Cb -0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3gfg h ASP 266 CO -0.10 1.15 0.17 0.00 -1.72 0.00 0.00 179.24 178.74 3gfg h ALA 267 N 0.93 0.97 -0.29 3.45 0.00 -1.03 -1.87 119.26 121.43 3gfg h ALA 267 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gfg h ALA 267 Cb 0.70 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gfg h ALA 267 CO 0.05 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 180.01 3gfg h LEU 268 N 1.06 0.40 -2.15 0.00 3.38 -0.88 -1.49 115.31 115.63 3gfg h LEU 268 Ca 0.22 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3gfg h LEU 268 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gfg h LEU 268 CO 0.00 0.46 0.20 0.03 0.09 0.00 0.00 178.44 179.22 3gfg h ARG 269 N 0.31 0.00 -0.00 1.13 3.08 -1.06 -1.30 114.38 116.54 3gfg h ARG 269 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3gfg h ARG 269 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gfg h ARG 269 CO -0.01 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.71 3gfg n ALA 270 N -2.43 2.83 -0.18 0.04 0.00 -0.72 -4.91 120.51 115.14 3gfg n ALA 270 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gfg n ALA 270 Cb 0.34 -1.32 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 1.41 0.79 3.82 0.00 0.00 -0.49 -5.08 105.19 105.64 3gfg n GLY 271 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 4.20 0.15 1.61 0.52 -0.59 -5.03 118.95 118.99 3gfg s ARG 272 Ca 0.00 0.82 0.11 0.00 -0.52 0.00 0.00 55.73 56.14 3gfg s ARG 272 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3gfg s ARG 272 CO 0.00 0.36 -0.25 0.15 0.02 0.00 0.00 175.30 175.58 3gfg s LYS 273 N -2.14 1.41 -0.73 3.54 1.02 -1.26 -4.13 119.74 117.45 3gfg s LYS 273 Ca 0.45 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.77 3gfg s LYS 273 Cb -0.15 -1.80 -0.12 0.00 -0.52 0.00 0.00 37.83 35.24 3gfg s LYS 273 CO 0.20 0.41 2.37 -2.14 -0.92 0.00 0.00 175.35 175.28 3gfg s PRO 274 N -2.31 1.78 0.00 -1.68 0.02 -1.26 -4.67 135.00 126.87 3gfg s PRO 274 Ca 0.16 0.65 0.12 0.00 0.02 0.00 0.00 61.00 61.95 3gfg s PRO 274 Cb -0.09 -4.75 -0.08 0.00 0.02 0.00 0.00 34.50 29.60 3gfg s PRO 274 CO 0.07 -4.11 0.60 -1.91 -0.33 0.00 0.00 177.00 171.33 3gfg n GLU 275 N 8.87 2.57 -2.20 5.54 4.07 -1.26 -4.99 120.64 133.24 3gfg n GLU 275 Ca 0.44 -0.28 -0.01 0.00 -0.06 0.00 0.00 57.16 57.25 3gfg n GLU 275 Cb 0.46 -1.11 0.01 0.00 -0.06 0.00 0.00 31.44 30.74 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3gfg n ASP 276 N -0.85 -0.57 0.27 4.31 3.85 -1.26 -5.05 116.55 117.24 3gfg n ASP 276 Ca 0.03 -1.31 0.15 0.00 -0.71 0.00 0.00 54.79 52.95 3gfg n ASP 276 Cb 0.22 0.93 0.71 0.00 -1.35 0.00 0.00 41.12 41.63 3gfg n ASP 276 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3gfg h ASP 277 N 0.64 0.00 0.95 -1.12 3.32 -2.02 -3.09 116.42 115.10 3gfg h ASP 277 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gfg h ASP 277 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3gfg h ASP 277 CO 0.12 0.10 0.00 -1.54 -1.72 0.00 0.00 179.24 176.20 3gfg n SER 278 N -3.36 0.48 -4.60 6.45 3.41 -1.26 -4.86 113.62 109.89 3gfg n SER 278 Ca -0.01 0.58 -0.48 0.00 -0.26 0.00 0.00 58.87 58.70 3gfg n SER 278 Cb 0.28 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3gfg n SER 278 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3gfg n TRP 279 N -1.99 1.50 -0.99 7.33 -0.00 -1.17 -2.55 117.44 119.57 3gfg n TRP 279 Ca 0.04 0.62 0.00 0.00 -0.00 0.00 0.00 57.50 58.16 3gfg n TRP 279 Cb 0.30 -2.32 0.00 0.00 -0.00 0.00 0.00 31.31 29.28 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 2.12 0.46 3.75 5.87 0.00 -1.26 -4.41 105.19 111.72 3gfg n GLY 280 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 3.65 0.70 4.61 0.00 -1.06 -1.12 121.76 126.51 3gfg s ALA 281 Ca 0.00 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 3gfg s ALA 281 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.56 3gfg s ALA 281 CO 0.00 -0.81 1.08 0.34 0.00 0.00 0.00 175.76 176.38 3gfg s ASP 282 N 0.36 5.45 -0.20 0.00 -1.08 -1.26 -4.81 116.67 115.14 3gfg s ASP 282 Ca 0.60 1.10 -0.14 0.00 -0.52 0.00 0.00 52.55 53.58 3gfg s ASP 282 Cb -0.43 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.08 3gfg s ASP 282 CO 0.45 -1.32 0.32 -0.69 0.52 0.00 0.00 175.17 174.45 3gfg s VAL 283 N -3.33 5.26 0.36 1.11 1.01 -1.26 -4.99 120.40 118.55 3gfg s VAL 283 Ca 0.58 0.57 0.13 0.00 0.00 0.00 0.00 61.98 63.26 3gfg s VAL 283 Cb -0.11 -3.66 0.35 0.00 0.00 0.00 0.00 36.38 32.96 3gfg s VAL 283 CO 0.51 0.31 1.79 -0.65 0.00 0.00 0.00 175.10 177.06 3gfg h PRO 284 N 7.19 0.52 0.00 2.72 0.11 -1.98 0.24 132.00 140.79 3gfg h PRO 284 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gfg h PRO 284 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gfg h PRO 284 CO 0.72 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 3gfg n GLU 285 N -4.67 0.01 -0.20 1.05 0.00 -1.26 -2.06 120.64 113.51 3gfg n GLU 285 Ca 0.24 0.24 0.09 0.00 0.00 0.00 0.00 57.16 57.73 3gfg n GLU 285 Cb 0.73 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.87 3gfg n GLU 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3gfg n PHE 286 N -1.49 0.52 -1.90 -1.84 3.72 0.84 -4.98 117.46 112.33 3gfg n PHE 286 Ca 0.04 -0.34 -0.39 0.00 -0.05 0.00 0.00 57.45 56.70 3gfg n PHE 286 Cb 0.17 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.17 2.59 0.72 1.38 2.02 -0.87 -4.31 117.35 117.70 3gfg s TYR 287 Ca 0.33 1.33 -0.12 0.00 -0.37 0.00 0.00 57.07 58.25 3gfg s TYR 287 Cb 0.18 -3.80 0.02 0.00 -0.40 0.00 0.00 41.96 37.97 3gfg s TYR 287 CO 0.25 -2.58 1.08 0.20 -1.57 0.00 0.00 175.55 172.93 3gfg s GLY 288 N -0.65 1.78 -0.18 0.71 0.00 -1.25 -4.78 107.32 102.95 3gfg s GLY 288 Ca 0.60 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.57 3gfg s GLY 288 CO 0.52 0.59 -0.10 0.54 0.00 0.00 0.00 173.10 174.66 3gfg s LYS 289 N -4.75 3.34 -0.20 2.90 1.02 -0.43 -1.28 119.74 120.34 3gfg s LYS 289 Ca 0.61 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.84 3gfg s LYS 289 Cb -0.17 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 3gfg s LYS 289 CO 0.52 -0.02 0.11 -1.17 -0.92 0.00 0.00 175.35 173.86 3gfg s LEU 290 N 0.97 4.02 -0.19 3.17 2.96 0.15 -2.43 118.68 127.34 3gfg s LEU 290 Ca -0.01 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3gfg s LEU 290 Cb -0.15 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3gfg s LEU 290 CO -0.01 0.15 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.15 3gfg s THR 291 N 0.53 2.73 -0.04 3.68 2.01 -0.08 -0.49 115.64 123.99 3gfg s THR 291 Ca 0.06 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.40 3gfg s THR 291 Cb -0.12 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 3gfg s THR 291 CO 0.00 0.49 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.28 3gfg s THR 292 N 1.19 2.01 -0.16 -0.82 2.01 -0.12 -0.70 115.64 119.05 3gfg s THR 292 Ca 0.02 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 60.97 3gfg s THR 292 Cb -0.14 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.70 3gfg s THR 292 CO -0.05 0.56 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 3gfg s ILE 293 N -0.37 2.03 -0.37 1.82 1.01 0.45 -1.27 121.20 124.51 3gfg s ILE 293 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3gfg s ILE 293 Cb -0.12 -1.82 0.11 0.00 0.01 0.00 0.00 42.46 40.64 3gfg s ILE 293 CO 0.01 0.54 0.11 -0.13 0.00 0.00 0.00 174.94 175.47 3gfg s ARG 294 N 1.13 1.34 7.34 2.79 3.00 0.79 -4.85 118.95 130.48 3gfg s ARG 294 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 55.73 53.94 3gfg s ARG 294 Cb -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 31.98 3gfg s ARG 294 CO -0.09 -1.00 0.00 0.41 0.00 0.00 0.00 175.30 174.62 3gfg n GLY 295 N 4.17 3.23 0.10 -3.53 0.00 -1.26 -1.24 105.19 106.66 3gfg n GLY 295 Ca 0.03 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 9.91 0.57 -4.59 1.61 3.41 -1.26 -4.88 113.62 118.39 3gfg n SER 296 Ca 0.00 -0.43 -0.40 0.00 -0.26 0.00 0.00 58.87 57.78 3gfg n SER 296 Cb 0.00 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 3gfg n SER 296 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gfg s ASP 297 N -2.70 6.32 -0.24 4.04 1.11 -0.37 -5.06 116.67 119.78 3gfg s ASP 297 Ca 0.21 0.26 -0.03 0.00 0.18 0.00 0.00 52.55 53.16 3gfg s ASP 297 Cb 0.19 -2.25 0.01 0.00 1.07 0.00 0.00 42.92 41.94 3gfg s ASP 297 CO 0.56 -0.30 -0.03 -0.75 1.18 0.00 0.00 175.17 175.83 3gfg s LYS 298 N 2.22 3.15 0.27 8.23 2.20 -1.26 -0.15 119.74 134.40 3gfg s LYS 298 Ca 0.18 -0.78 0.09 0.00 -0.36 0.00 0.00 55.97 55.10 3gfg s LYS 298 Cb -0.16 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 3gfg s LYS 298 CO 0.11 -0.30 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.07 3gfg s LYS 299 N 1.43 1.58 -0.07 4.03 -2.85 -0.39 -5.00 119.74 118.46 3gfg s LYS 299 Ca 0.04 -1.76 -0.05 0.00 -1.00 0.00 0.00 55.97 53.20 3gfg s LYS 299 Cb -0.15 -1.43 0.03 0.00 -2.06 0.00 0.00 37.83 34.21 3gfg s LYS 299 CO -0.03 0.19 0.18 -0.08 0.10 0.00 0.00 175.35 175.70 3gfg s THR 300 N -2.77 -0.02 -0.19 3.79 -1.32 -1.26 -0.95 115.64 112.93 3gfg s THR 300 Ca 0.28 0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.67 3gfg s THR 300 Cb -0.00 -0.27 0.05 0.00 -1.51 0.00 0.00 72.50 70.77 3gfg s THR 300 CO 0.12 0.03 0.49 -0.70 -2.21 0.00 0.00 174.62 172.36 3gfg s GLU 301 N 0.58 0.57 -0.24 7.08 2.12 0.36 -4.96 118.70 124.21 3gfg s GLU 301 Ca -0.04 0.69 -0.17 0.00 0.36 0.00 0.00 54.97 55.81 3gfg s GLU 301 Cb -0.05 0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 3gfg s GLU 301 CO -0.03 -0.07 0.48 0.99 -0.54 0.00 0.00 175.26 176.09 3gfg s THR 302 N 0.31 5.11 -0.35 -1.70 2.01 -1.26 0.33 115.64 120.09 3gfg s THR 302 Ca -0.00 0.83 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 3gfg s THR 302 Cb -0.04 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 3gfg s THR 302 CO 0.00 0.14 0.60 -0.63 -0.69 0.00 0.00 174.62 174.04 3gfg s ILE 303 N 1.98 4.93 0.18 1.82 -1.09 -0.40 -4.98 121.20 123.65 3gfg s ILE 303 Ca 0.21 0.55 -0.32 0.00 -2.23 0.00 0.00 60.65 58.86 3gfg s ILE 303 Cb -0.15 -4.03 -0.11 0.00 -1.58 0.00 0.00 42.46 36.58 3gfg s ILE 303 CO 0.09 -0.26 1.61 -2.84 -1.23 0.00 0.00 174.94 172.31 3gfg s PRO 304 N 2.61 4.19 0.57 2.79 0.02 -1.26 -3.86 135.00 140.06 3gfg s PRO 304 Ca 0.23 2.44 -0.20 0.00 0.02 0.00 0.00 61.00 63.49 3gfg s PRO 304 Cb -0.15 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3gfg s PRO 304 CO 0.14 -0.64 1.21 -1.12 -0.33 0.00 0.00 177.00 176.26 3gfg s SER 305 N 1.11 5.34 0.33 2.53 0.01 -1.26 -4.99 113.70 116.76 3gfg s SER 305 Ca 0.71 2.40 -0.28 0.00 1.31 0.00 0.00 55.95 60.09 3gfg s SER 305 Cb -0.46 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.08 3gfg s SER 305 CO 0.32 -1.49 1.21 -0.69 0.41 0.00 0.00 173.24 172.99 3gfg s VAL 306 N -1.57 3.07 0.27 3.43 1.01 -1.26 -4.79 120.40 120.56 3gfg s VAL 306 Ca 0.75 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 63.47 3gfg s VAL 306 Cb -0.31 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 3gfg s VAL 306 CO 0.34 0.22 1.64 0.59 0.00 0.00 0.00 175.10 177.89 3gfg n ASN 307 N 0.80 3.91 -4.70 3.32 4.13 -1.26 -4.44 115.26 117.02 3gfg n ASN 307 Ca 0.00 1.12 -0.33 0.00 1.68 0.00 0.00 54.58 57.06 3gfg n ASN 307 Cb 0.44 -1.59 0.13 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 0.69 2.08 -0.46 7.41 0.00 -0.28 -4.72 107.32 112.05 3gfg s GLY 308 Ca 0.67 0.78 0.06 0.00 0.00 0.00 0.00 44.72 46.23 3gfg s GLY 308 CO 0.44 1.19 1.04 -1.26 0.00 0.00 0.00 173.10 174.51 3gfg n SER 309 N -3.38 -2.21 0.10 1.64 2.88 -0.04 -4.23 113.62 108.38 3gfg n SER 309 Ca 0.13 -3.56 0.15 0.00 -1.33 0.00 0.00 58.87 54.26 3gfg n SER 309 Cb 0.51 1.70 0.67 0.00 -0.75 0.00 0.00 64.21 66.35 3gfg n SER 309 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3gfg h TYR 310 N 3.23 0.00 -0.92 0.66 0.05 -1.89 -1.39 116.97 116.71 3gfg h TYR 310 Ca -0.09 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.87 3gfg h TYR 310 Cb 1.07 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.74 3gfg h TYR 310 CO 0.27 0.00 0.59 -0.07 -1.05 0.00 0.00 178.16 177.91 3gfg h LEU 311 N 0.00 0.57 -1.58 3.88 3.38 -1.96 -1.76 115.31 117.84 3gfg h LEU 311 Ca 0.15 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.30 3gfg h LEU 311 Cb 0.61 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3gfg h LEU 311 CO -0.00 0.24 0.48 0.74 0.09 0.00 0.00 178.44 179.99 3gfg h THR 312 N 0.58 0.83 -0.25 0.22 2.02 -1.67 -0.33 112.91 114.31 3gfg h THR 312 Ca 0.48 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 3gfg h THR 312 Cb 0.96 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3gfg h THR 312 CO -0.23 0.08 0.12 0.22 0.37 0.00 0.00 175.52 176.08 3gfg h TYR 313 N 0.43 0.36 0.00 3.16 3.20 -1.49 -0.01 116.97 122.62 3gfg h TYR 313 Ca 0.34 -0.02 -0.18 0.00 3.14 0.00 0.00 58.73 62.02 3gfg h TYR 313 Cb 0.74 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3gfg h TYR 313 CO -0.00 0.35 -0.85 1.88 -1.64 0.00 0.00 178.16 177.89 3gfg h TYR 314 N 0.27 0.00 -0.39 -3.82 0.05 -1.40 0.02 116.97 111.71 3gfg h TYR 314 Ca 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3gfg h TYR 314 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3gfg h TYR 314 CO -0.02 0.85 0.20 0.00 -1.05 0.00 0.00 178.16 178.15 3gfg h ARG 315 N 0.00 0.54 -0.91 4.88 3.08 -0.97 -1.96 114.38 119.03 3gfg h ARG 315 Ca -0.01 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3gfg h ARG 315 Cb 1.56 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.45 3gfg h ARG 315 CO 0.11 0.45 0.59 0.87 -1.07 0.00 0.00 179.97 180.92 3gfg h LYS 316 N 0.49 1.09 -0.62 0.04 1.57 -0.81 -2.41 116.57 115.93 3gfg h LYS 316 Ca 0.13 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3gfg h LYS 316 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3gfg h LYS 316 CO -0.02 0.72 0.33 0.82 -0.57 0.00 0.00 179.45 180.74 3gfg h ILE 317 N 1.13 1.20 -0.91 1.86 1.08 -0.74 -1.59 117.51 119.54 3gfg h ILE 317 Ca 0.37 -0.52 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3gfg h ILE 317 Cb 0.04 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 3gfg h ILE 317 CO -0.13 0.22 0.58 0.00 -0.69 0.00 0.00 178.15 178.13 3gfg h ALA 318 N 1.16 1.26 -0.55 1.87 0.00 -1.04 -1.05 119.26 120.91 3gfg h ALA 318 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3gfg h ALA 318 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3gfg h ALA 318 CO -0.03 0.35 0.09 0.93 0.00 0.00 0.00 179.25 180.58 3gfg h GLU 319 N 1.05 0.87 -0.54 0.00 5.08 -1.01 -0.86 114.58 119.17 3gfg h GLU 319 Ca 0.40 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3gfg h GLU 319 Cb 0.16 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3gfg h GLU 319 CO -0.17 0.81 -0.06 0.77 -1.00 0.00 0.00 179.01 179.36 3gfg h SER 320 N 0.83 0.99 -0.20 1.42 0.02 -0.56 -0.64 113.55 115.40 3gfg h SER 320 Ca 0.17 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.66 3gfg h SER 320 Cb 0.36 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3gfg h SER 320 CO 0.01 1.09 -0.40 0.40 -1.14 0.00 0.00 176.83 176.79 3gfg h ILE 321 N 0.88 1.33 0.00 3.27 2.04 -1.06 -2.57 117.51 121.39 3gfg h ILE 321 Ca 0.15 -1.62 -0.31 0.00 1.00 0.00 0.00 64.86 64.07 3gfg h ILE 321 Cb 0.61 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 3gfg h ILE 321 CO 0.04 0.50 -1.90 0.54 0.00 0.00 0.00 178.15 177.34 3gfg n ARG 322 N -4.24 0.65 0.00 2.37 5.12 -0.34 -4.58 116.66 115.63 3gfg n ARG 322 Ca -0.06 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3gfg n ARG 322 Cb 0.53 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gfg n GLU 323 N -2.97 1.24 -1.25 5.56 -0.58 -0.28 -5.04 120.64 117.30 3gfg n GLU 323 Ca -0.21 -0.90 -0.09 0.00 -0.42 0.00 0.00 57.16 55.54 3gfg n GLU 323 Cb 1.08 -0.76 -0.04 0.00 -0.57 0.00 0.00 31.44 31.15 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gfg n GLY 324 N -0.22 1.04 3.75 0.62 0.00 -0.97 -4.94 105.19 104.47 3gfg n GLY 324 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.26 2.43 0.39 4.61 0.00 -1.07 -4.93 121.76 120.93 3gfg s ALA 325 Ca 0.00 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 3gfg s ALA 325 Cb 0.00 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 3gfg s ALA 325 CO 0.00 -1.35 0.94 0.00 0.00 0.00 0.00 175.76 175.34 3gfg n ALA 326 N -1.97 -0.19 -1.76 0.00 0.00 -1.26 -4.25 120.51 111.08 3gfg n ALA 326 Ca 0.13 0.26 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 3gfg n ALA 326 Cb 0.50 -2.02 0.02 0.00 0.00 0.00 0.00 19.45 17.95 3gfg n ALA 326 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfg s LEU 327 N 0.07 3.75 0.24 0.00 1.43 -1.26 -4.72 118.68 118.19 3gfg s LEU 327 Ca 0.62 2.31 -0.02 0.00 -1.03 0.00 0.00 54.13 56.02 3gfg s LEU 327 Cb -0.60 -4.53 0.27 0.00 0.03 0.00 0.00 46.19 41.35 3gfg s LEU 327 CO 0.58 -1.35 1.65 1.55 0.23 0.00 0.00 176.35 179.01 3gfg h PRO 328 N 1.19 0.64 -3.99 1.29 0.13 -1.88 -3.41 132.00 125.98 3gfg h PRO 328 Ca -0.50 -0.26 -0.45 0.00 -0.87 0.00 0.00 66.00 63.92 3gfg h PRO 328 Cb 1.28 -0.03 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 3gfg h PRO 328 CO 0.57 0.84 -0.78 0.08 -0.23 0.00 0.00 178.00 178.48 3gfg s VAL 329 N -4.51 0.61 0.58 1.56 1.01 -1.26 -5.11 120.40 113.28 3gfg s VAL 329 Ca -0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3gfg s VAL 329 Cb 0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 3gfg s VAL 329 CO 0.82 0.27 0.90 0.42 0.00 0.00 0.00 175.10 177.51 3gfg s THR 330 N 1.41 4.04 0.17 3.92 -4.23 -1.26 -3.86 115.64 115.82 3gfg s THR 330 Ca -0.03 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.50 3gfg s THR 330 Cb -0.13 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.17 3gfg s THR 330 CO -0.03 -0.63 1.76 0.00 -0.54 0.00 0.00 174.62 175.18 3gfg h ALA 331 N -0.13 0.52 -0.39 3.99 0.00 -1.93 -1.71 119.26 119.61 3gfg h ALA 331 Ca -0.46 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.57 3gfg h ALA 331 Cb 1.24 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3gfg h ALA 331 CO 0.61 -0.22 0.01 1.49 0.00 0.00 0.00 179.25 181.14 3gfg h GLU 332 N 0.34 0.11 -0.46 0.00 4.81 -1.94 0.08 114.58 117.52 3gfg h GLU 332 Ca 0.20 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3gfg h GLU 332 Cb 0.17 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3gfg h GLU 332 CO -0.19 0.07 0.21 0.93 -0.73 0.00 0.00 179.01 179.30 3gfg h GLU 333 N 0.11 0.41 -0.39 1.92 5.08 -1.89 -1.11 114.58 118.70 3gfg h GLU 333 Ca 0.19 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3gfg h GLU 333 Cb 0.27 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 3gfg h GLU 333 CO -0.32 0.27 0.03 0.78 -1.00 0.00 0.00 179.01 178.78 3gfg h GLY 334 N 0.42 0.42 1.00 -3.84 0.00 -0.51 -2.58 103.07 97.99 3gfg h GLY 334 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 3gfg h GLY 334 CO -0.16 -0.08 0.43 -2.22 0.00 0.00 0.00 176.54 174.52 3gfg h ILE 335 N 0.14 1.20 -0.35 2.60 2.04 -0.37 -2.86 117.51 119.91 3gfg h ILE 335 Ca 0.19 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3gfg h ILE 335 Cb 0.26 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3gfg h ILE 335 CO -0.30 0.21 0.17 0.78 0.00 0.00 0.00 178.15 179.01 3gfg h ASN 336 N 0.97 0.42 -0.53 1.72 2.35 -0.83 0.43 115.58 120.12 3gfg h ASN 336 Ca 0.26 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 3gfg h ASN 336 Cb -0.04 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3gfg h ASN 336 CO -0.05 0.36 0.00 0.58 -1.65 0.00 0.00 177.43 176.68 3gfg h VAL 337 N 0.48 1.26 -0.46 2.81 2.07 -1.30 -1.76 116.25 119.35 3gfg h VAL 337 Ca 0.12 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 3gfg h VAL 337 Cb 0.05 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3gfg h VAL 337 CO -0.02 0.39 0.05 0.40 0.02 0.00 0.00 177.57 178.41 3gfg h ILE 338 N 0.80 1.25 -0.94 4.57 1.08 -0.90 -2.13 117.51 121.24 3gfg h ILE 338 Ca 0.15 -0.95 0.23 0.00 -0.39 0.00 0.00 64.86 63.90 3gfg h ILE 338 Cb 0.53 0.97 -0.13 0.00 -3.07 0.00 0.00 36.82 35.13 3gfg h ILE 338 CO 0.03 0.33 0.48 0.03 -0.69 0.00 0.00 178.15 178.33 3gfg h ARG 339 N 0.64 0.46 -0.17 2.37 3.08 -0.80 0.21 114.38 120.16 3gfg h ARG 339 Ca 0.14 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3gfg h ARG 339 Cb 0.42 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3gfg h ARG 339 CO 0.01 0.30 -0.03 0.82 -1.07 0.00 0.00 179.97 180.01 3gfg h ILE 340 N 0.47 1.28 -0.80 2.04 1.08 -0.74 -2.05 117.51 118.79 3gfg h ILE 340 Ca 0.60 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3gfg h ILE 340 Cb 1.15 1.56 -0.05 0.00 -3.07 0.00 0.00 36.82 36.41 3gfg h ILE 340 CO -0.51 0.28 0.51 0.40 -0.69 0.00 0.00 178.15 178.15 3gfg h ILE 341 N 0.04 1.12 -0.19 -0.67 2.04 -0.67 0.93 117.51 120.10 3gfg h ILE 341 Ca 0.04 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 3gfg h ILE 341 Cb 0.44 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3gfg h ILE 341 CO 0.01 0.18 -0.47 -0.33 0.00 0.00 0.00 178.15 177.54 3gfg h GLU 342 N 1.00 0.49 -0.49 2.37 5.08 -0.92 0.48 114.58 122.59 3gfg h GLU 342 Ca 0.32 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 3gfg h GLU 342 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3gfg h GLU 342 CO -0.11 0.86 -0.19 0.00 -1.00 0.00 0.00 179.01 178.58 3gfg h ALA 343 N 1.09 0.68 -0.75 3.43 0.00 -0.88 -0.16 119.26 122.68 3gfg h ALA 343 Ca 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gfg h ALA 343 Cb 0.98 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3gfg h ALA 343 CO 0.09 0.65 0.46 0.00 0.00 0.00 0.00 179.25 180.44 3gfg h ALA 344 N 0.88 0.95 -0.53 0.00 0.00 -0.55 0.19 119.26 120.19 3gfg h ALA 344 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3gfg h ALA 344 Cb 0.76 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3gfg h ALA 344 CO 0.06 0.41 -0.13 0.52 0.00 0.00 0.00 179.25 180.11 3gfg h MET 345 N 1.02 1.03 -0.28 0.00 2.07 -0.56 -2.14 114.93 116.07 3gfg h MET 345 Ca 0.27 -0.40 -0.15 0.00 -2.07 0.00 0.00 59.70 57.35 3gfg h MET 345 Cb -0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 3gfg h MET 345 CO -0.05 1.09 -0.42 1.49 1.07 0.00 0.00 176.91 180.09 3gfg h GLU 346 N 0.91 0.70 -0.32 1.72 4.81 -0.91 -2.72 114.58 118.78 3gfg h GLU 346 Ca 0.13 -0.38 0.04 0.00 -0.13 0.00 0.00 59.36 59.03 3gfg h GLU 346 Cb 0.71 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3gfg h GLU 346 CO 0.05 0.99 0.10 1.03 -0.73 0.00 0.00 179.01 180.45 3gfg h SER 347 N 0.57 0.09 0.36 1.04 0.87 -0.44 -0.68 113.55 115.36 3gfg h SER 347 Ca 0.04 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3gfg h SER 347 Cb 0.96 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3gfg h SER 347 CO 0.09 0.09 -0.37 -1.28 -0.53 0.00 0.00 176.83 174.82 3gfg h SER 348 N 0.23 0.02 0.05 6.23 0.87 -1.20 0.25 113.55 119.99 3gfg h SER 348 Ca 0.15 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 3gfg h SER 348 Cb 0.13 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3gfg h SER 348 CO -0.16 0.39 -0.40 0.50 -0.53 0.00 0.00 176.83 176.63 3gfg h LYS 349 N 0.02 0.18 0.00 2.24 3.64 -1.21 -3.30 116.57 118.14 3gfg h LYS 349 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3gfg h LYS 349 Cb 0.67 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3gfg h LYS 349 CO 0.05 1.07 -0.15 0.39 -2.27 0.00 0.00 179.45 178.54 3gfg n GLU 350 N -4.38 0.19 -3.57 1.90 -0.58 -0.29 -4.94 120.64 108.98 3gfg n GLU 350 Ca -0.11 0.13 -0.23 0.00 -0.42 0.00 0.00 57.16 56.53 3gfg n GLU 350 Cb 0.62 -1.70 0.08 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.02 -7.74 -3.98 3.49 4.76 0.81 -5.00 118.16 108.48 3gfg n LYS 351 Ca 0.05 0.83 -0.10 0.00 -2.87 0.00 0.00 58.31 56.23 3gfg n LYS 351 Cb 0.41 -5.87 -0.07 0.00 -1.84 0.00 0.00 35.03 27.66 3gfg n LYS 351 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3gfg s ARG 352 N -6.16 1.16 0.04 1.97 1.70 -0.85 -5.04 118.95 111.78 3gfg s ARG 352 Ca 0.49 -1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 54.23 3gfg s ARG 352 Cb -0.22 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.48 3gfg s ARG 352 CO 0.73 -0.42 1.24 0.99 -1.08 0.00 0.00 175.30 176.75 3gfg s THR 353 N -3.98 3.97 -0.32 4.99 2.01 -1.26 -4.44 115.64 116.61 3gfg s THR 353 Ca 0.19 1.40 -0.13 0.00 0.31 0.00 0.00 61.69 63.46 3gfg s THR 353 Cb 0.04 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3gfg s THR 353 CO 0.01 0.08 0.24 -0.63 -0.69 0.00 0.00 174.62 173.63 3gfg s ILE 354 N 1.39 5.28 0.31 1.82 -1.09 -0.22 -4.95 121.20 123.74 3gfg s ILE 354 Ca 0.59 -0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.66 3gfg s ILE 354 Cb -0.29 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 3gfg s ILE 354 CO 0.28 0.06 1.27 -0.04 -1.23 0.00 0.00 174.94 175.28 3gfg s MET 355 N 1.77 4.41 -0.03 2.79 -1.94 -1.26 -0.97 119.30 124.07 3gfg s MET 355 Ca 0.07 2.13 -0.17 0.00 -1.71 0.00 0.00 55.69 56.01 3gfg s MET 355 Cb -0.17 -3.10 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 3gfg s MET 355 CO 0.11 -0.11 0.46 -0.51 -0.01 0.00 0.00 175.02 174.96 3gfg s LEU 356 N -1.62 4.41 0.00 -0.03 1.43 0.30 -4.92 118.68 118.25 3gfg s LEU 356 Ca 0.49 0.96 0.07 0.00 -1.03 0.00 0.00 54.13 54.61 3gfg s LEU 356 Cb -0.38 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.21 3gfg s LEU 356 CO 0.50 0.19 0.71 1.21 0.23 0.00 0.00 176.35 179.19