#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg s ILE 14 N 0.00 4.90 -0.38 2.28 1.01 0.13 -4.83 121.20 124.32 3gfg s ILE 14 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 3gfg s ILE 14 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3gfg s ILE 14 CO 0.00 0.00 1.28 -1.59 0.00 0.00 0.00 174.94 174.63 3gfg s LYS 15 N 2.43 3.77 -0.06 2.79 0.00 -1.26 -1.12 119.74 126.29 3gfg s LYS 15 Ca 0.33 0.96 -0.01 0.00 0.00 0.00 0.00 55.97 57.26 3gfg s LYS 15 Cb -0.16 -3.92 -0.03 0.00 0.00 0.00 0.00 37.83 33.72 3gfg s LYS 15 CO 0.09 -1.31 -0.01 0.08 0.00 0.00 0.00 175.35 174.20 3gfg s VAL 16 N 4.69 4.21 -0.14 1.79 1.01 0.76 0.04 120.40 132.76 3gfg s VAL 16 Ca 0.55 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3gfg s VAL 16 Cb -0.13 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3gfg s VAL 16 CO 0.28 0.55 -0.22 -0.83 0.00 0.00 0.00 175.10 174.88 3gfg s GLY 17 N -1.04 1.36 -0.32 4.51 0.00 -0.51 -1.73 107.32 109.60 3gfg s GLY 17 Ca 0.15 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3gfg s GLY 17 CO 0.04 -0.03 0.20 -0.42 0.00 0.00 0.00 173.10 172.89 3gfg s ILE 18 N 0.80 5.03 -0.30 0.90 1.01 0.06 -1.22 121.20 127.49 3gfg s ILE 18 Ca -0.07 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 3gfg s ILE 18 Cb -0.16 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3gfg s ILE 18 CO -0.02 0.06 0.88 -0.76 0.00 0.00 0.00 174.94 175.11 3gfg s LEU 19 N 1.69 4.05 0.00 2.97 1.43 0.13 -1.25 118.68 127.70 3gfg s LEU 19 Ca 0.06 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3gfg s LEU 19 Cb -0.17 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3gfg s LEU 19 CO 0.09 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.61 3gfg n GLY 20 N 3.99 -1.12 2.46 -3.19 0.00 -0.76 -1.39 105.19 105.18 3gfg n GLY 20 Ca 0.07 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.26 -1.70 0.00 1.61 9.36 -1.26 -4.47 117.16 120.45 3gfg n TYR 21 Ca 0.00 -2.76 0.00 0.00 3.32 0.00 0.00 57.90 58.46 3gfg n TYR 21 Cb 0.00 0.58 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 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 1.23 3.17 0.24 2.98 0.00 -1.26 -4.59 105.19 106.96 3gfg n GLY 22 Ca 0.15 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.81 0.86 0.99 5.85 -1.96 -0.75 115.31 121.11 3gfg h LEU 23 Ca 0.00 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3gfg h LEU 23 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3gfg h LEU 23 CO 0.00 0.97 -0.49 -1.28 -0.34 0.00 0.00 178.44 177.30 3gfg h SER 24 N 0.64 -1.21 0.25 1.25 0.87 -1.94 -2.56 113.55 110.85 3gfg h SER 24 Ca 0.11 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3gfg h SER 24 Cb 0.60 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3gfg h SER 24 CO 0.04 -0.77 -0.12 1.23 -0.53 0.00 0.00 176.83 176.67 3gfg h GLY 25 N -1.25 -0.34 2.00 5.77 0.00 -1.78 -2.27 103.07 105.19 3gfg h GLY 25 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gfg h GLY 25 CO 0.15 -0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 3gfg n SER 26 N -3.00 0.22 0.00 0.19 3.41 -0.29 -1.52 113.62 112.62 3gfg n SER 26 Ca -0.04 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3gfg n SER 26 Cb 0.13 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 -1.75 0.00 1.45 -3.33 0.31 -1.00 -4.44 118.33 109.57 3gfg n VAL 27 Ca 0.02 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.49 3gfg n VAL 27 Cb 0.14 -0.79 0.49 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.54 0.00 0.02 3.52 3.72 -0.86 -4.34 117.46 116.98 3gfg n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gfg n PHE 28 Cb 0.35 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.22 -0.31 -0.14 1.38 8.25 -1.20 -4.87 115.22 118.54 3gfg n HIS 29 Ca 0.18 0.06 -0.08 0.00 -0.26 0.00 0.00 57.72 57.62 3gfg n HIS 29 Cb 0.37 0.48 -0.06 0.00 1.12 0.00 0.00 29.99 31.91 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 0.00 -1.47 1.94 -1.41 0.00 -1.51 0.79 103.07 101.41 3gfg h GLY 30 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 47.33 48.17 3gfg h GLY 30 CO 0.00 -0.38 0.02 -2.55 0.00 0.00 0.00 176.54 173.63 3gfg h PRO 31 N -0.15 0.00 -0.01 4.80 0.11 -1.78 -1.68 132.00 133.29 3gfg h PRO 31 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 3gfg h PRO 31 Cb 0.31 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.43 3gfg h PRO 31 CO -0.43 0.00 -0.29 -0.07 -0.21 0.00 0.00 178.00 176.99 3gfg h LEU 32 N 0.00 0.28 -1.99 2.35 3.38 -1.54 -3.27 115.31 114.51 3gfg h LEU 32 Ca 0.01 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 3gfg h LEU 32 Cb 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gfg h LEU 32 CO -0.00 0.99 -0.05 -0.07 0.09 0.00 0.00 178.44 179.40 3gfg h LEU 33 N -0.41 0.00 -0.31 1.67 3.38 -0.43 -2.99 115.31 116.23 3gfg h LEU 33 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3gfg h LEU 33 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3gfg h LEU 33 CO 0.06 0.05 0.01 -0.78 0.09 0.00 0.00 178.44 177.87 3gfg h ASP 34 N 0.00 0.53 0.66 -0.43 3.58 -1.37 -3.22 116.42 116.17 3gfg h ASP 34 Ca -0.00 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3gfg h ASP 34 Cb 0.33 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3gfg h ASP 34 CO 0.01 0.70 0.00 1.33 -2.88 0.00 0.00 179.24 178.39 3gfg n VAL 35 N -4.57 0.06 -3.56 2.25 0.24 -1.13 -4.71 118.33 106.92 3gfg n VAL 35 Ca -0.02 0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 3gfg n VAL 35 Cb 0.25 -0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 3gfg n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gfg s LEU 36 N -2.70 4.36 0.00 1.34 1.43 -1.22 -4.97 118.68 116.93 3gfg s LEU 36 Ca 0.23 -0.37 0.23 0.00 -1.03 0.00 0.00 54.13 53.19 3gfg s LEU 36 Cb 0.19 -2.11 1.11 0.00 0.03 0.00 0.00 46.19 45.41 3gfg s LEU 36 CO 0.46 -0.20 1.75 0.47 0.23 0.00 0.00 176.35 179.06 3gfg n ASP 37 N 5.08 0.00 0.03 2.29 9.92 -1.26 -2.45 116.55 130.16 3gfg n ASP 37 Ca -0.13 0.10 0.12 0.00 -0.53 0.00 0.00 54.79 54.35 3gfg n ASP 37 Cb 0.50 -0.34 0.30 0.00 -0.64 0.00 0.00 41.12 40.94 3gfg n ASP 37 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gfg n GLU 38 N -1.34 0.11 -4.34 -1.24 4.71 -1.26 -4.74 120.64 112.54 3gfg n GLU 38 Ca 0.09 0.04 -0.34 0.00 -0.01 0.00 0.00 57.16 56.95 3gfg n GLU 38 Cb 0.20 -1.58 -0.11 0.00 -1.01 0.00 0.00 31.44 28.94 3gfg n GLU 38 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3gfg s TYR 39 N -3.06 3.08 -0.11 -0.32 2.02 -1.02 0.21 117.35 118.15 3gfg s TYR 39 Ca 0.10 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 3gfg s TYR 39 Cb 0.16 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3gfg s TYR 39 CO 0.67 0.12 -0.17 -1.14 -1.57 0.00 0.00 175.55 173.47 3gfg s GLN 40 N 0.04 2.38 -1.13 -0.62 0.74 -0.27 -4.85 119.66 115.95 3gfg s GLN 40 Ca 0.01 -0.62 -0.09 0.00 0.05 0.00 0.00 55.36 54.71 3gfg s GLN 40 Cb -0.13 -1.99 0.27 0.00 1.10 0.00 0.00 33.01 32.26 3gfg s GLN 40 CO 0.02 -0.04 1.23 -0.89 -0.55 0.00 0.00 175.29 175.06 3gfg n ILE 41 N 4.14 4.66 -0.18 -2.34 -0.00 -1.26 -0.17 119.36 124.21 3gfg n ILE 41 Ca -0.19 -5.38 -0.10 0.00 -0.00 0.00 0.00 62.75 57.08 3gfg n ILE 41 Cb 0.51 -2.49 0.02 0.00 -0.00 0.00 0.00 39.64 37.68 3gfg n ILE 41 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3gfg h SER 42 N 6.48 1.03 -4.07 4.38 0.02 -1.68 -3.40 113.55 116.31 3gfg h SER 42 Ca 0.20 -0.35 -0.16 0.00 -0.84 0.00 0.00 61.79 60.64 3gfg h SER 42 Cb 0.82 -0.28 -0.25 0.00 0.14 0.00 0.00 62.40 62.84 3gfg h SER 42 CO 1.11 1.15 -0.45 -0.54 -1.14 0.00 0.00 176.83 176.96 3gfg s LYS 43 N -4.82 0.32 -0.05 3.45 1.02 -1.13 -0.36 119.74 118.18 3gfg s LYS 43 Ca -0.11 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.06 3gfg s LYS 43 Cb 0.13 0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.60 3gfg s LYS 43 CO 0.86 -0.05 -0.09 0.42 -0.92 0.00 0.00 175.35 175.58 3gfg s ILE 44 N -0.21 0.83 -0.50 2.17 1.01 -1.18 -0.76 121.20 122.56 3gfg s ILE 44 Ca -0.03 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 3gfg s ILE 44 Cb -0.03 -0.78 0.08 0.00 0.01 0.00 0.00 42.46 41.75 3gfg s ILE 44 CO 0.01 0.28 0.47 -0.32 0.00 0.00 0.00 174.94 175.37 3gfg s MET 45 N 0.66 3.00 -0.01 2.79 -2.45 -0.38 -1.82 119.30 121.09 3gfg s MET 45 Ca -0.11 -1.36 -0.28 0.00 -1.25 0.00 0.00 55.69 52.68 3gfg s MET 45 Cb -0.14 -4.17 0.10 0.00 1.25 0.00 0.00 34.83 31.87 3gfg s MET 45 CO 0.02 -1.15 0.84 -0.08 1.05 0.00 0.00 175.02 175.71 3gfg s THR 46 N 1.83 0.00 -0.87 10.11 -1.32 -0.65 -1.82 115.64 122.92 3gfg s THR 46 Ca 0.06 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 3gfg s THR 46 Cb -0.25 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 69.96 3gfg s THR 46 CO 0.07 0.00 1.74 -1.54 -2.21 0.00 0.00 174.62 172.68 3gfg n SER 47 N 0.03 0.27 -3.82 8.08 3.41 -1.26 -4.52 113.62 115.80 3gfg n SER 47 Ca -0.11 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 3gfg n SER 47 Cb 0.61 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.77 1.88 -0.18 4.33 1.74 -1.26 -4.74 116.66 116.66 3gfg n ARG 48 Ca 0.05 -2.16 -0.07 0.00 -0.77 0.00 0.00 57.85 54.91 3gfg n ARG 48 Cb 0.30 -3.13 0.03 0.00 -1.02 0.00 0.00 32.46 28.63 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 4.66 1.13 0.03 0.55 2.02 -1.99 -3.29 112.91 116.02 3gfg h THR 49 Ca 0.43 -0.25 -0.21 0.00 0.77 0.00 0.00 66.41 67.15 3gfg h THR 49 Cb 0.71 0.34 0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3gfg h THR 49 CO 1.83 0.13 -0.83 -0.08 0.37 0.00 0.00 175.52 176.94 3gfg h GLU 50 N 0.72 0.50 -0.36 6.66 4.81 -1.99 -3.30 114.58 121.62 3gfg h GLU 50 Ca 0.20 -0.58 0.10 0.00 -0.13 0.00 0.00 59.36 58.95 3gfg h GLU 50 Cb -0.07 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3gfg h GLU 50 CO -0.05 1.22 0.34 0.93 -0.73 0.00 0.00 179.01 180.72 3gfg h GLU 51 N 0.04 0.00 0.03 1.92 3.07 -1.97 -2.76 114.58 114.92 3gfg h GLU 51 Ca -0.11 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.49 3gfg h GLU 51 Cb 1.53 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.41 3gfg h GLU 51 CO 0.16 0.00 -1.29 0.28 -1.40 0.00 0.00 179.01 176.76 3gfg h VAL 52 N 0.00 1.38 -0.48 3.13 2.07 -1.66 -3.38 116.25 117.32 3gfg h VAL 52 Ca 0.17 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.55 3gfg h VAL 52 Cb 0.85 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 3gfg h VAL 52 CO -0.00 0.82 0.14 0.11 0.02 0.00 0.00 177.57 178.66 3gfg h LYS 53 N 0.02 0.70 0.00 1.57 1.79 -1.63 0.18 116.57 119.20 3gfg h LYS 53 Ca -0.13 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3gfg h LYS 53 Cb 1.89 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 3gfg h LYS 53 CO 0.13 0.62 -0.11 2.89 -1.08 0.00 0.00 179.45 181.90 3gfg n ARG 54 N -4.32 0.01 -0.12 3.15 0.00 -1.26 -3.47 116.66 110.66 3gfg n ARG 54 Ca 0.03 0.01 -0.20 0.00 -0.00 0.00 0.00 57.85 57.69 3gfg n ARG 54 Cb 0.19 -1.51 -0.12 0.00 -0.00 0.00 0.00 32.46 31.02 3gfg n ARG 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3gfg n ASP 55 N -1.53 1.99 -3.11 2.89 9.92 -0.31 -4.81 116.55 121.59 3gfg n ASP 55 Ca 0.07 -0.04 -0.18 0.00 -0.53 0.00 0.00 54.79 54.11 3gfg n ASP 55 Cb 0.34 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 40.30 3gfg n ASP 55 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3gfg n PHE 56 N -3.42 -0.52 -0.44 1.24 3.72 0.48 -5.04 117.46 113.48 3gfg n PHE 56 Ca -0.46 -3.44 0.41 0.00 -0.05 0.00 0.00 57.45 53.91 3gfg n PHE 56 Cb 0.98 -0.03 0.74 0.00 -0.94 0.00 0.00 39.48 40.23 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 3.27 0.00 -0.64 -1.08 0.11 -1.74 0.62 132.00 132.54 3gfg h PRO 57 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3gfg h PRO 57 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3gfg h PRO 57 CO 0.43 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.97 3gfg n ASP 58 N -3.91 3.99 -4.88 -2.05 8.00 -1.26 -4.95 116.55 111.48 3gfg n ASP 58 Ca 0.32 -2.27 -0.30 0.00 0.71 0.00 0.00 54.79 53.25 3gfg n ASP 58 Cb 1.57 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 42.13 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfg s ALA 59 N -1.61 3.36 -0.30 2.24 0.00 0.22 -4.90 121.76 120.78 3gfg s ALA 59 Ca 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 3gfg s ALA 59 Cb 0.27 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.75 3gfg s ALA 59 CO 0.24 -0.03 0.01 -2.00 0.00 0.00 0.00 175.76 173.97 3gfg s GLU 60 N -3.92 2.56 0.05 0.00 2.12 0.52 -4.97 118.70 115.07 3gfg s GLU 60 Ca 0.51 -1.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 3gfg s GLU 60 Cb -0.10 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 3gfg s GLU 60 CO 0.32 -0.58 1.11 0.08 -0.54 0.00 0.00 175.26 175.66 3gfg s VAL 61 N 1.30 4.31 0.39 3.70 1.01 -1.26 -3.09 120.40 126.76 3gfg s VAL 61 Ca -0.03 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.68 3gfg s VAL 61 Cb -0.19 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 3gfg s VAL 61 CO -0.01 0.15 0.03 0.68 0.00 0.00 0.00 175.10 175.95 3gfg s VAL 62 N 0.92 1.56 0.00 2.92 -7.23 -0.76 -4.97 120.40 112.84 3gfg s VAL 62 Ca 0.56 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3gfg s VAL 62 Cb -0.27 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3gfg s VAL 62 CO 0.29 0.00 0.00 1.41 -0.31 0.00 0.00 175.10 176.49 3gfg n HIS 63 N -0.90 0.00 -3.94 2.82 8.25 -1.26 -1.63 115.22 118.55 3gfg n HIS 63 Ca -0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 3gfg n HIS 63 Cb 0.67 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.74 3gfg n HIS 63 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3gfg s GLU 64 N -1.25 3.40 0.11 -0.41 2.56 -1.26 -4.89 118.70 116.96 3gfg s GLU 64 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 54.97 54.28 3gfg s GLU 64 Cb 0.00 -2.97 -0.05 0.00 2.00 0.00 0.00 34.13 33.10 3gfg s GLU 64 CO 0.00 0.56 1.49 1.25 -0.56 0.00 0.00 175.26 178.00 3gfg h LEU 65 N 2.60 0.71 -2.67 2.70 5.85 -2.00 -3.23 115.31 119.26 3gfg h LEU 65 Ca -0.47 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 57.86 3gfg h LEU 65 Cb 1.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gfg h LEU 65 CO 0.71 0.95 0.07 -0.33 -0.34 0.00 0.00 178.44 179.50 3gfg h GLU 66 N 0.48 0.00 0.00 1.25 3.07 -1.98 0.11 114.58 117.50 3gfg h GLU 66 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3gfg h GLU 66 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3gfg h GLU 66 CO 0.04 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.04 3gfg n GLU 67 N -2.98 0.20 -0.10 2.33 1.02 -1.22 -1.84 120.64 118.04 3gfg n GLU 67 Ca -0.03 0.11 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 3gfg n GLU 67 Cb 0.14 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.99 3gfg n GLU 67 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3gfg n ILE 68 N -1.36 1.35 -0.11 -3.67 2.08 0.35 -4.43 119.36 113.57 3gfg n ILE 68 Ca 0.08 -0.17 0.01 0.00 0.56 0.00 0.00 62.75 63.23 3gfg n ILE 68 Cb 0.19 -1.95 0.30 0.00 -0.75 0.00 0.00 39.64 37.43 3gfg n ILE 68 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3gfg h THR 69 N -0.85 1.17 -0.13 1.39 1.35 -1.52 -2.60 112.91 111.72 3gfg h THR 69 Ca -0.41 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gfg h THR 69 Cb 1.31 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3gfg h THR 69 CO -0.25 0.19 0.00 0.59 -0.25 0.00 0.00 175.52 175.80 3gfg n ASN 70 N -4.40 1.90 -4.59 5.36 4.13 -0.77 -4.80 115.26 112.09 3gfg n ASN 70 Ca 0.05 -1.69 -0.43 0.00 1.68 0.00 0.00 54.58 54.19 3gfg n ASN 70 Cb 0.10 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.23 3gfg n ASN 70 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gfg s ASP 71 N -1.73 6.61 0.51 6.41 -1.08 -0.98 -4.92 116.67 121.48 3gfg s ASP 71 Ca 0.34 0.39 0.25 0.00 -0.52 0.00 0.00 52.55 53.01 3gfg s ASP 71 Cb 0.19 -2.49 1.38 0.00 -1.46 0.00 0.00 42.92 40.54 3gfg s ASP 71 CO 0.29 -1.05 2.06 -0.65 0.52 0.00 0.00 175.17 176.34 3gfg h PRO 72 N 8.91 0.00 0.00 4.34 0.11 -1.87 -3.01 132.00 140.48 3gfg h PRO 72 Ca -0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 3gfg h PRO 72 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3gfg h PRO 72 CO 1.04 0.13 -0.51 0.00 -0.21 0.00 0.00 178.00 178.46 3gfg h ALA 73 N 1.87 0.96 -2.45 -0.75 0.00 -1.95 -3.45 119.26 113.49 3gfg h ALA 73 Ca -0.00 -0.46 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 3gfg h ALA 73 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gfg h ALA 73 CO 0.02 0.63 0.51 0.42 0.00 0.00 0.00 179.25 180.83 3gfg s ILE 74 N -3.56 4.31 -0.10 0.00 -1.09 -1.14 -4.59 121.20 115.03 3gfg s ILE 74 Ca -0.00 1.66 0.04 0.00 -2.23 0.00 0.00 60.65 60.11 3gfg s ILE 74 Cb 0.12 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 3gfg s ILE 74 CO 0.73 0.12 -0.05 -0.62 -1.23 0.00 0.00 174.94 173.89 3gfg n GLU 75 N 3.99 1.24 -5.17 2.79 1.02 0.11 -4.86 120.64 119.75 3gfg n GLU 75 Ca 0.08 0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 3gfg n GLU 75 Cb 0.48 -1.23 -0.17 0.00 -0.02 0.00 0.00 31.44 30.51 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 -5.24 2.04 -0.19 -4.62 2.96 -0.97 -1.34 118.68 111.31 3gfg s LEU 76 Ca -0.11 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3gfg s LEU 76 Cb 0.03 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.45 3gfg s LEU 76 CO 0.30 0.21 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.67 3gfg s VAL 77 N -0.00 2.06 -0.34 1.68 1.01 0.58 -1.42 120.40 123.97 3gfg s VAL 77 Ca -0.07 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 3gfg s VAL 77 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3gfg s VAL 77 CO 0.05 0.45 0.66 -0.63 0.00 0.00 0.00 175.10 175.63 3gfg s ILE 78 N 1.27 4.88 -0.41 2.22 -1.09 -0.35 -2.46 121.20 125.25 3gfg s ILE 78 Ca 0.03 0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 58.99 3gfg s ILE 78 Cb -0.14 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 3gfg s ILE 78 CO -0.12 -0.28 0.51 -0.69 -1.23 0.00 0.00 174.94 173.13 3gfg s VAL 79 N 2.75 5.00 -0.07 2.92 1.01 -0.75 0.18 120.40 131.43 3gfg s VAL 79 Ca 0.26 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.24 3gfg s VAL 79 Cb -0.14 -4.07 0.16 0.00 0.00 0.00 0.00 36.38 32.32 3gfg s VAL 79 CO 0.14 -0.44 1.08 0.35 0.00 0.00 0.00 175.10 176.23 3gfg n THR 80 N 5.56 1.01 -1.93 3.92 -2.24 -0.49 -2.32 114.28 117.80 3gfg n THR 80 Ca -0.05 -1.22 -0.29 0.00 -2.27 0.00 0.00 64.05 60.22 3gfg n THR 80 Cb 0.48 0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.53 2.37 0.41 4.28 -4.23 -1.22 -4.69 115.64 111.03 3gfg s THR 81 Ca 0.17 0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.55 3gfg s THR 81 Cb 0.15 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.74 3gfg s THR 81 CO 0.01 -0.14 0.34 -0.81 -0.54 0.00 0.00 174.62 173.48 3gfg n PRO 82 N -3.21 0.28 -0.09 3.99 -0.04 -1.26 -4.79 135.00 129.89 3gfg n PRO 82 Ca 0.08 0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 3gfg n PRO 82 Cb 0.60 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 3gfg n PRO 82 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3gfg h SER 83 N 0.58 -0.59 0.00 3.54 0.02 -1.98 -2.94 113.55 112.19 3gfg h SER 83 Ca -0.38 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3gfg h SER 83 Cb 1.42 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.28 3gfg h SER 83 CO 0.50 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 3gfg n GLY 84 N -1.35 1.13 0.00 -3.77 0.00 -1.26 -1.20 105.19 98.74 3gfg n GLY 84 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gfg n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gfg n LEU 85 N 1.32 0.00 -0.16 0.99 7.94 -1.11 -4.96 117.00 121.02 3gfg n LEU 85 Ca 0.00 -0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 54.84 3gfg n LEU 85 Cb 0.21 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.20 3gfg n LEU 85 CO 0.00 0.21 0.73 0.45 -1.11 0.00 0.00 177.39 177.67 3gfg h HIS 86 N 0.00 -0.42 0.39 1.96 3.86 -1.21 -0.65 115.15 119.08 3gfg h HIS 86 Ca 0.00 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3gfg h HIS 86 Cb 0.53 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 3gfg h HIS 86 CO 0.00 -0.27 -0.25 -0.92 0.86 0.00 0.00 177.93 177.35 3gfg h TYR 87 N -0.06 -0.66 -0.41 2.45 3.20 -1.87 -1.29 116.97 118.34 3gfg h TYR 87 Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3gfg h TYR 87 Cb 0.43 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3gfg h TYR 87 CO -0.47 -0.38 0.16 1.49 -1.64 0.00 0.00 178.16 177.31 3gfg h GLU 88 N -0.62 0.32 0.48 1.82 4.81 -1.88 0.12 114.58 119.64 3gfg h GLU 88 Ca -0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3gfg h GLU 88 Cb 0.51 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3gfg h GLU 88 CO 0.04 0.21 -0.23 0.45 -0.73 0.00 0.00 179.01 178.74 3gfg h HIS 89 N 0.33 -0.60 -0.65 0.92 3.86 -1.12 -2.27 115.15 115.61 3gfg h HIS 89 Ca 0.19 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3gfg h HIS 89 Cb 0.16 0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 3gfg h HIS 89 CO -0.14 -0.33 0.36 1.15 0.86 0.00 0.00 177.93 179.84 3gfg h THR 90 N -0.75 0.98 -0.54 2.45 2.02 -1.04 -1.93 112.91 114.09 3gfg h THR 90 Ca -0.07 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3gfg h THR 90 Cb 0.54 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3gfg h THR 90 CO 0.11 0.12 0.30 -0.03 0.37 0.00 0.00 175.52 176.39 3gfg h MET 91 N 0.68 0.74 0.00 6.66 -1.53 -0.74 -2.13 114.93 118.61 3gfg h MET 91 Ca 0.29 -0.07 -0.08 0.00 -3.44 0.00 0.00 59.70 56.39 3gfg h MET 91 Cb 0.17 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 3gfg h MET 91 CO -0.17 0.55 -0.40 0.00 0.14 0.00 0.00 176.91 177.02 3gfg h ALA 92 N 1.58 1.09 -0.04 0.39 0.00 -0.75 -0.60 119.26 120.94 3gfg h ALA 92 Ca 0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3gfg h ALA 92 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gfg h ALA 92 CO -0.03 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 3gfg h ILE 94 N -0.38 1.14 -0.93 0.00 2.04 -1.43 0.50 117.51 118.46 3gfg h ILE 94 Ca -0.02 -0.29 0.20 0.00 1.00 0.00 0.00 64.86 65.75 3gfg h ILE 94 Cb 0.87 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 3gfg h ILE 94 CO 0.04 0.15 0.49 1.56 0.00 0.00 0.00 178.15 180.40 3gfg h GLN 95 N 0.85 0.56 0.00 2.37 1.08 -1.13 -2.82 115.11 116.02 3gfg h GLN 95 Ca 0.24 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.25 3gfg h GLN 95 Cb -0.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3gfg h GLN 95 CO -0.06 0.37 -0.96 0.00 -0.95 0.00 0.00 178.83 177.23 3gfg h ALA 96 N 1.66 0.61 0.00 3.87 0.00 -0.13 -3.48 119.26 121.79 3gfg h ALA 96 Ca 0.55 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gfg h ALA 96 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gfg h ALA 96 CO -0.44 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3gfg n GLY 97 N 1.33 1.68 3.90 0.00 0.00 0.16 -5.02 105.19 107.23 3gfg n GLY 97 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.35 3.47 0.40 1.61 -0.14 -0.52 -4.98 119.74 119.22 3gfg s LYS 98 Ca 0.00 -0.26 -0.24 0.00 -1.36 0.00 0.00 55.97 54.11 3gfg s LYS 98 Cb 0.00 -3.09 -0.09 0.00 -1.68 0.00 0.00 37.83 32.97 3gfg s LYS 98 CO 0.00 0.67 1.04 -1.01 -0.76 0.00 0.00 175.35 175.29 3gfg s HIS 99 N -1.31 3.28 -0.06 3.18 3.76 -0.45 -4.31 115.29 119.37 3gfg s HIS 99 Ca 0.27 1.65 -0.01 0.00 -0.15 0.00 0.00 55.06 56.82 3gfg s HIS 99 Cb -0.13 -3.10 0.03 0.00 1.11 0.00 0.00 32.58 30.49 3gfg s HIS 99 CO 0.18 -0.58 -0.01 0.08 -0.85 0.00 0.00 174.74 173.56 3gfg s VAL 100 N -1.69 0.40 -0.09 -0.90 1.01 -0.76 -0.31 120.40 118.07 3gfg s VAL 100 Ca 0.58 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 3gfg s VAL 100 Cb -0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3gfg s VAL 100 CO 0.26 0.25 0.35 -0.69 0.00 0.00 0.00 175.10 175.27 3gfg s VAL 101 N 1.70 5.21 -0.13 2.92 1.01 -1.03 -1.31 120.40 128.76 3gfg s VAL 101 Ca 0.01 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 3gfg s VAL 101 Cb -0.13 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3gfg s VAL 101 CO -0.04 0.47 0.02 -0.04 0.00 0.00 0.00 175.10 175.51 3gfg s MET 102 N -0.21 3.46 0.36 2.72 -1.94 0.81 -1.82 119.30 122.69 3gfg s MET 102 Ca 0.21 -0.39 -0.26 0.00 -1.71 0.00 0.00 55.69 53.53 3gfg s MET 102 Cb -0.15 -2.97 -0.09 0.00 2.01 0.00 0.00 34.83 33.63 3gfg s MET 102 CO 0.08 0.49 1.15 -2.00 -0.01 0.00 0.00 175.02 174.73 3gfg s GLU 103 N -0.27 4.24 0.71 2.03 2.56 -0.98 0.14 118.70 127.14 3gfg s GLU 103 Ca 0.07 1.83 -0.15 0.00 0.00 0.00 0.00 54.97 56.71 3gfg s GLU 103 Cb -0.12 -2.82 0.03 0.00 2.00 0.00 0.00 34.13 33.21 3gfg s GLU 103 CO 0.02 -0.15 1.18 -1.59 -0.56 0.00 0.00 175.26 174.16 3gfg s LYS 104 N -2.06 2.32 0.37 4.30 0.00 -1.26 -4.25 119.74 119.15 3gfg s LYS 104 Ca 0.53 1.67 -0.13 0.00 0.00 0.00 0.00 55.97 58.04 3gfg s LYS 104 Cb -0.31 -1.86 -0.08 0.00 0.00 0.00 0.00 37.83 35.58 3gfg s LYS 104 CO 0.39 -1.68 0.77 -1.25 0.00 0.00 0.00 175.35 173.58 3gfg s PRO 105 N -3.93 3.90 0.00 1.78 0.04 -1.26 -5.05 135.00 130.47 3gfg s PRO 105 Ca 0.73 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3gfg s PRO 105 Cb -0.27 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3gfg s PRO 105 CO 0.44 0.04 0.65 -0.12 0.04 0.00 0.00 177.00 178.05 3gfg n MET 106 N -0.86 0.00 -4.06 4.56 1.56 -1.26 -4.88 117.12 112.18 3gfg n MET 106 Ca 0.03 0.65 -0.10 0.00 -0.27 0.00 0.00 57.70 58.01 3gfg n MET 106 Cb 0.54 -1.12 -0.07 0.00 2.15 0.00 0.00 33.22 34.72 3gfg n MET 106 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3gfg s THR 107 N -1.81 0.02 0.11 1.12 -4.23 -1.26 -4.79 115.64 104.79 3gfg s THR 107 Ca 0.00 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.61 3gfg s THR 107 Cb 0.00 -2.22 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 3gfg s THR 107 CO 0.00 -0.08 1.62 0.00 -0.54 0.00 0.00 174.62 175.62 3gfg h ALA 108 N 2.46 -0.58 -1.93 3.99 0.00 -1.94 -3.46 119.26 117.80 3gfg h ALA 108 Ca -0.31 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 53.94 3gfg h ALA 108 Cb 1.24 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 19.41 3gfg h ALA 108 CO 0.45 -0.87 -0.63 0.95 0.00 0.00 0.00 179.25 179.14 3gfg s THR 109 N -6.02 2.56 0.07 0.00 -4.23 -1.26 -4.91 115.64 101.85 3gfg s THR 109 Ca -0.16 -2.02 -0.15 0.00 -1.18 0.00 0.00 61.69 58.18 3gfg s THR 109 Cb 0.07 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 70.95 3gfg s THR 109 CO 0.64 -0.20 1.23 0.00 -0.54 0.00 0.00 174.62 175.75 3gfg h ALA 110 N 1.85 0.21 -0.11 3.99 0.00 -1.88 -3.09 119.26 120.22 3gfg h ALA 110 Ca -0.43 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 53.92 3gfg h ALA 110 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gfg h ALA 110 CO 0.67 0.57 0.28 1.49 0.00 0.00 0.00 179.25 182.27 3gfg h GLU 111 N 0.32 0.00 0.16 0.00 4.81 -1.97 0.61 114.58 118.51 3gfg h GLU 111 Ca -0.07 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.85 3gfg h GLU 111 Cb 1.41 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.82 3gfg h GLU 111 CO 0.15 0.00 -1.31 0.93 -0.73 0.00 0.00 179.01 178.05 3gfg h GLU 112 N 0.00 0.58 -0.49 1.92 5.08 -1.96 -3.12 114.58 116.58 3gfg h GLU 112 Ca 0.05 -0.84 -0.09 0.00 -1.00 0.00 0.00 59.36 57.49 3gfg h GLU 112 Cb 0.62 0.29 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3gfg h GLU 112 CO -0.00 1.39 -0.03 0.78 -1.00 0.00 0.00 179.01 180.15 3gfg h GLY 113 N 0.35 0.96 -0.22 -3.84 0.00 -1.00 -2.60 103.07 96.73 3gfg h GLY 113 Ca -0.20 -0.73 0.17 0.00 0.00 0.00 0.00 47.33 46.57 3gfg h GLY 113 CO 0.25 0.67 0.12 0.83 0.00 0.00 0.00 176.54 178.40 3gfg h GLU 114 N 0.75 0.19 -0.45 4.80 4.39 -1.09 0.49 114.58 123.65 3gfg h GLU 114 Ca 0.14 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 3gfg h GLU 114 Cb 0.55 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3gfg h GLU 114 CO 0.03 0.12 -0.12 1.15 -1.16 0.00 0.00 179.01 179.04 3gfg h THR 115 N 0.19 1.26 0.05 1.13 2.02 -1.45 -2.09 112.91 114.03 3gfg h THR 115 Ca 0.43 -1.20 -0.23 0.00 0.77 0.00 0.00 66.41 66.18 3gfg h THR 115 Cb 0.76 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3gfg h THR 115 CO -0.58 0.41 -1.04 -0.07 0.37 0.00 0.00 175.52 174.61 3gfg h LEU 116 N 0.74 0.32 0.84 2.58 3.38 -0.87 -2.26 115.31 120.04 3gfg h LEU 116 Ca 0.12 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3gfg h LEU 116 Cb 0.61 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.27 3gfg h LEU 116 CO 0.04 1.17 -0.40 0.50 0.09 0.00 0.00 178.44 179.83 3gfg h LYS 117 N 0.10 -1.09 -1.10 1.13 3.64 -0.02 -2.64 116.57 116.59 3gfg h LYS 117 Ca -0.08 0.07 0.33 0.00 -1.27 0.00 0.00 60.65 59.70 3gfg h LYS 117 Cb 1.73 0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 33.68 3gfg h LYS 117 CO 0.16 -0.72 0.68 0.00 -2.27 0.00 0.00 179.45 177.30 3gfg h ARG 118 N -1.27 0.30 -0.14 1.90 3.08 -1.44 -0.64 114.38 116.17 3gfg h ARG 118 Ca -0.12 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3gfg h ARG 118 Cb 0.87 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3gfg h ARG 118 CO 0.19 0.20 -0.14 0.00 -1.07 0.00 0.00 179.97 179.15 3gfg h ALA 119 N 1.69 0.21 -0.37 0.04 0.00 -1.37 -0.92 119.26 118.55 3gfg h ALA 119 Ca 0.70 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 3gfg h ALA 119 Cb 1.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 3gfg h ALA 119 CO -0.44 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 178.86 3gfg h ALA 120 N 0.61 0.50 -0.72 0.00 0.00 -0.85 -0.55 119.26 118.24 3gfg h ALA 120 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3gfg h ALA 120 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gfg h ALA 120 CO 0.03 0.30 0.31 -0.44 0.00 0.00 0.00 179.25 179.45 3gfg h ASP 121 N 0.48 0.97 -0.33 0.00 3.32 -1.22 0.75 116.42 120.38 3gfg h ASP 121 Ca 0.10 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3gfg h ASP 121 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3gfg h ASP 121 CO 0.02 0.85 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.28 3gfg h GLU 122 N 1.04 0.60 0.05 3.56 4.57 -0.97 -3.28 114.58 120.15 3gfg h GLU 122 Ca 0.25 -0.21 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 3gfg h GLU 122 Cb 0.17 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3gfg h GLU 122 CO -0.02 0.75 -0.62 -0.22 -1.18 0.00 0.00 179.01 177.72 3gfg h LYS 123 N 0.39 0.33 0.00 1.92 1.63 -0.92 -3.49 116.57 116.44 3gfg h LYS 123 Ca 0.09 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3gfg h LYS 123 Cb 0.50 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3gfg h LYS 123 CO 0.02 1.13 0.00 0.41 -3.45 0.00 0.00 179.45 177.56 3gfg n GLY 124 N 1.29 1.72 3.88 5.01 0.00 0.26 -5.08 105.19 112.26 3gfg n GLY 124 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 4.23 0.26 1.61 -7.23 -0.91 -5.01 120.40 111.35 3gfg s VAL 125 Ca 0.00 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 3gfg s VAL 125 Cb 0.00 -3.40 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 3gfg s VAL 125 CO 0.00 -0.26 0.99 -0.76 -0.31 0.00 0.00 175.10 174.75 3gfg s LEU 126 N -3.96 4.60 -0.06 1.32 1.43 -1.26 -4.56 118.68 116.18 3gfg s LEU 126 Ca 0.37 2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 55.49 3gfg s LEU 126 Cb -0.08 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.52 3gfg s LEU 126 CO 0.27 0.05 0.01 -0.22 0.23 0.00 0.00 176.35 176.69 3gfg s LEU 127 N -1.33 0.62 0.26 1.79 2.96 -1.26 -1.82 118.68 119.90 3gfg s LEU 127 Ca 0.43 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3gfg s LEU 127 Cb -0.27 -0.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3gfg s LEU 127 CO 0.34 -0.19 0.05 -0.55 -1.32 0.00 0.00 176.35 174.68 3gfg s SER 128 N 1.87 1.69 -0.00 3.68 0.15 -0.43 -3.56 113.70 117.10 3gfg s SER 128 Ca 0.03 -1.32 0.05 0.00 0.70 0.00 0.00 55.95 55.41 3gfg s SER 128 Cb -0.12 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3gfg s SER 128 CO -0.04 -0.62 -0.17 -0.69 1.20 0.00 0.00 173.24 172.92 3gfg s VAL 129 N -3.53 1.31 -1.56 4.45 1.01 -1.25 -0.13 120.40 120.69 3gfg s VAL 129 Ca 0.34 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3gfg s VAL 129 Cb 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3gfg s VAL 129 CO 0.12 0.32 2.73 0.00 0.00 0.00 0.00 175.10 178.27 3gfg n TYR 130 N 2.53 2.70 -1.99 5.22 9.36 0.37 -4.72 117.16 130.62 3gfg n TYR 130 Ca -0.15 -3.04 -0.42 0.00 3.32 0.00 0.00 57.90 57.61 3gfg n TYR 130 Cb 0.54 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 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 4.01 3.13 1.71 2.98 8.25 -1.26 -4.31 115.22 129.72 3gfg n HIS 131 Ca 0.71 -2.89 0.15 0.00 -0.26 0.00 0.00 57.72 55.43 3gfg n HIS 131 Cb 0.27 -2.23 0.80 0.00 1.12 0.00 0.00 29.99 29.95 3gfg n HIS 131 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3gfg n ASN 132 N 4.66 0.25 0.00 0.41 6.94 -1.26 -3.33 115.26 122.93 3gfg n ASN 132 Ca 0.49 -0.79 0.08 0.00 -0.02 0.00 0.00 54.58 54.34 3gfg n ASN 132 Cb 0.36 -0.08 0.39 0.00 -2.36 0.00 0.00 39.78 38.09 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 -0.93 0.08 0.28 -3.83 5.12 -1.26 -1.94 116.66 114.18 3gfg n ARG 133 Ca 0.20 0.18 0.18 0.00 -1.93 0.00 0.00 57.85 56.47 3gfg n ARG 133 Cb 0.20 -1.50 0.80 0.00 -1.16 0.00 0.00 32.46 30.79 3gfg n ARG 133 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gfg h ARG 134 N 0.00 0.00 -0.27 5.56 3.08 -1.92 -2.49 114.38 118.33 3gfg h ARG 134 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3gfg h ARG 134 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3gfg h ARG 134 CO 0.00 0.00 -0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3gfg n TRP 135 N -2.98 0.96 -1.81 3.04 8.01 -0.82 -4.50 117.44 119.34 3gfg n TRP 135 Ca -0.00 -1.03 -0.37 0.00 -1.31 0.00 0.00 57.50 54.79 3gfg n TRP 135 Cb 0.23 -0.35 0.05 0.00 -2.01 0.00 0.00 31.31 29.24 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 -2.09 4.91 0.14 -0.99 1.01 -0.94 -1.61 116.67 117.10 3gfg s ASP 136 Ca 0.42 2.61 -0.14 0.00 0.71 0.00 0.00 52.55 56.16 3gfg s ASP 136 Cb 0.35 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.67 3gfg s ASP 136 CO 0.07 -1.80 1.61 -0.55 0.21 0.00 0.00 175.17 174.71 3gfg h ASN 137 N 0.87 0.75 -0.42 0.27 -1.07 -1.85 -1.93 115.58 112.21 3gfg h ASN 137 Ca -0.51 -0.28 0.01 0.00 0.07 0.00 0.00 56.30 55.59 3gfg h ASN 137 Cb 1.32 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 37.35 3gfg h ASN 137 CO 0.55 0.84 0.27 -2.24 0.07 0.00 0.00 177.43 176.92 3gfg h ASP 138 N 0.63 0.47 -0.43 6.14 3.04 -1.93 -1.13 116.42 123.20 3gfg h ASP 138 Ca 0.13 -0.01 -0.10 0.00 -3.24 0.00 0.00 57.03 53.81 3gfg h ASP 138 Cb 0.43 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 38.58 3gfg h ASP 138 CO 0.01 0.34 -0.11 0.15 -2.04 0.00 0.00 179.24 177.59 3gfg h PHE 139 N 0.56 0.99 -0.12 4.15 3.57 -1.87 -2.19 116.94 122.02 3gfg h PHE 139 Ca 0.15 -0.19 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 3gfg h PHE 139 Cb -0.05 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3gfg h PHE 139 CO -0.05 0.95 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.38 3gfg h LEU 140 N 0.80 0.38 -0.66 0.59 3.38 -1.10 -0.34 115.31 118.36 3gfg h LEU 140 Ca 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gfg h LEU 140 Cb 0.63 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3gfg h LEU 140 CO 0.04 0.84 0.42 0.74 0.09 0.00 0.00 178.44 180.58 3gfg h THR 141 N 0.27 1.18 0.38 0.22 2.02 -0.85 -2.37 112.91 113.76 3gfg h THR 141 Ca 0.01 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3gfg h THR 141 Cb 1.02 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3gfg h THR 141 CO 0.09 0.18 -0.18 0.40 0.37 0.00 0.00 175.52 176.38 3gfg h ILE 142 N 0.90 0.63 -0.96 3.11 2.04 -0.82 -1.42 117.51 120.99 3gfg h ILE 142 Ca 0.24 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 66.21 3gfg h ILE 142 Cb -0.07 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 36.57 3gfg h ILE 142 CO -0.05 0.01 0.57 0.11 0.00 0.00 0.00 178.15 178.79 3gfg h LYS 143 N -0.53 0.79 -0.55 2.37 1.57 -0.99 -0.54 116.57 118.68 3gfg h LYS 143 Ca -0.05 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3gfg h LYS 143 Cb 0.40 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3gfg h LYS 143 CO 0.09 0.52 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.22 3gfg h LYS 144 N 0.81 0.98 -0.38 3.15 3.64 -1.09 -1.55 116.57 122.15 3gfg h LYS 144 Ca 0.52 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3gfg h LYS 144 Cb 0.68 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3gfg h LYS 144 CO -0.33 1.00 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.66 3gfg h LEU 145 N 0.89 0.64 0.64 5.20 3.38 -0.05 -2.05 115.31 123.96 3gfg h LEU 145 Ca 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gfg h LEU 145 Cb 0.59 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3gfg h LEU 145 CO 0.04 0.79 -0.31 0.40 0.09 0.00 0.00 178.44 179.45 3gfg h ILE 146 N 0.60 0.12 0.00 1.22 2.04 -0.91 -0.91 117.51 119.67 3gfg h ILE 146 Ca 0.11 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gfg h ILE 146 Cb 0.55 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3gfg h ILE 146 CO 0.03 0.02 0.00 0.77 0.00 0.00 0.00 178.15 178.97 3gfg h SER 147 N -1.17 0.00 0.20 1.72 4.64 -1.30 -1.03 113.55 116.61 3gfg h SER 147 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3gfg h SER 147 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3gfg h SER 147 CO 0.14 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.35 3gfg n GLU 148 N -2.89 1.00 -1.05 4.77 1.02 -0.77 -4.95 120.64 117.78 3gfg n GLU 148 Ca -0.02 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 3gfg n GLU 148 Cb 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.26 0.39 0.07 0.62 0.00 -0.39 -4.95 105.19 102.19 3gfg n GLY 149 Ca 0.15 -1.07 0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 1.97 0.61 -3.16 1.61 7.64 -0.35 -4.44 113.62 117.48 3gfg n SER 150 Ca 0.00 0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.73 3gfg n SER 150 Cb 0.03 0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 63.99 3gfg n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gfg n LEU 151 N -2.37 3.38 -4.76 -3.43 4.77 -1.20 -4.82 117.00 108.57 3gfg n LEU 151 Ca -0.00 -5.42 -0.40 0.00 -0.03 0.00 0.00 56.01 50.15 3gfg n LEU 151 Cb 0.52 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3gfg n LEU 151 CO 0.41 2.22 0.80 -1.61 -1.33 0.00 0.00 177.39 177.88 3gfg s GLU 152 N -2.78 4.62 -1.36 3.23 0.41 -1.26 -4.06 118.70 117.50 3gfg s GLU 152 Ca 0.43 1.82 -0.03 0.00 -0.41 0.00 0.00 54.97 56.78 3gfg s GLU 152 Cb 0.23 -3.19 -0.00 0.00 -1.78 0.00 0.00 34.13 29.39 3gfg s GLU 152 CO -0.08 0.18 0.49 -3.47 -0.49 0.00 0.00 175.26 171.89 3gfg n ASP 153 N 1.27 -1.02 -4.55 -0.19 2.03 -1.26 -2.18 116.55 110.65 3gfg n ASP 153 Ca -0.01 -0.99 -0.56 0.00 0.52 0.00 0.00 54.79 53.75 3gfg n ASP 153 Cb 0.45 -3.19 -0.07 0.00 -0.72 0.00 0.00 41.12 37.59 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3gfg n ILE 154 N -4.37 0.00 -0.03 5.18 5.41 -1.26 -3.64 119.36 120.66 3gfg n ILE 154 Ca -0.28 -0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.48 3gfg n ILE 154 Cb 0.67 -0.41 -0.11 0.00 -0.71 0.00 0.00 39.64 39.09 3gfg n ILE 154 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3gfg n ASN 155 N 2.05 1.69 -3.81 4.38 0.23 0.14 -4.70 115.26 115.24 3gfg n ASN 155 Ca 0.19 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.11 3gfg n ASN 155 Cb 0.13 1.32 -0.15 0.00 -2.08 0.00 0.00 39.78 39.00 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 -2.72 -0.03 -0.33 5.53 2.01 -1.02 -0.42 115.64 118.66 3gfg s THR 156 Ca -0.06 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 3gfg s THR 156 Cb 0.07 -0.09 0.12 0.00 0.01 0.00 0.00 72.50 72.61 3gfg s THR 156 CO 0.58 0.04 0.18 -0.47 -0.69 0.00 0.00 174.62 174.26 3gfg s TYR 157 N 0.56 0.64 -0.27 4.92 5.04 -0.41 -1.74 117.35 126.10 3gfg s TYR 157 Ca -0.05 -1.38 -0.11 0.00 -2.44 0.00 0.00 57.07 53.10 3gfg s TYR 157 Cb -0.06 -0.97 -0.05 0.00 0.35 0.00 0.00 41.96 41.23 3gfg s TYR 157 CO -0.02 -0.83 0.19 -0.65 -1.34 0.00 0.00 175.55 172.90 3gfg s GLN 158 N 1.45 3.99 -0.08 4.97 -0.21 0.48 0.23 119.66 130.50 3gfg s GLN 158 Ca 0.14 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.26 3gfg s GLN 158 Cb -0.20 -3.62 0.01 0.00 1.00 0.00 0.00 33.01 30.20 3gfg s GLN 158 CO -0.14 -0.10 -0.15 0.08 -2.12 0.00 0.00 175.29 172.86 3gfg s VAL 159 N 1.52 1.36 0.01 1.09 1.01 0.16 -1.18 120.40 124.37 3gfg s VAL 159 Ca 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3gfg s VAL 159 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3gfg s VAL 159 CO 0.09 0.41 -0.24 -0.94 0.00 0.00 0.00 175.10 174.41 3gfg s SER 160 N 0.67 2.87 -0.45 3.32 1.04 -0.53 -1.23 113.70 119.39 3gfg s SER 160 Ca -0.14 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 55.87 3gfg s SER 160 Cb -0.16 -0.29 0.24 0.00 0.10 0.00 0.00 66.02 65.91 3gfg s SER 160 CO 0.04 0.27 0.55 0.00 0.98 0.00 0.00 173.24 175.07 3gfg n TYR 161 N 2.19 0.47 -3.49 5.02 -0.00 0.37 -4.68 117.16 117.04 3gfg n TYR 161 Ca -0.16 -3.68 -0.24 0.00 -0.00 0.00 0.00 57.90 53.82 3gfg n TYR 161 Cb 0.52 -0.35 -0.01 0.00 -0.00 0.00 0.00 39.34 39.50 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 -1.34 6.31 0.20 2.98 0.01 -1.26 -4.23 114.94 117.60 3gfg s ASN 162 Ca 0.36 0.39 -0.14 0.00 -0.71 0.00 0.00 52.86 52.75 3gfg s ASN 162 Cb 0.15 -2.01 0.01 0.00 0.41 0.00 0.00 41.25 39.82 3gfg s ASN 162 CO -0.10 -0.24 0.46 0.00 -1.51 0.00 0.00 177.10 175.71 3gfg s ARG 163 N -4.19 1.38 -0.62 -0.60 1.70 -0.80 -4.97 118.95 110.85 3gfg s ARG 163 Ca 0.39 -1.03 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 3gfg s ARG 163 Cb -0.10 0.48 0.16 0.00 -0.57 0.00 0.00 34.95 34.92 3gfg s ARG 163 CO 0.34 -0.57 0.48 -0.47 -1.08 0.00 0.00 175.30 174.01 3gfg s TYR 164 N -3.93 3.51 -0.41 5.89 5.04 -1.13 -1.09 117.35 125.23 3gfg s TYR 164 Ca 0.14 -2.24 0.07 0.00 -2.44 0.00 0.00 57.07 52.60 3gfg s TYR 164 Cb -0.00 -3.46 0.24 0.00 0.35 0.00 0.00 41.96 39.09 3gfg s TYR 164 CO 0.01 -0.94 0.50 0.54 -1.34 0.00 0.00 175.55 174.33 3gfg n ARG 165 N 4.13 0.72 0.04 4.97 1.74 0.33 -4.96 116.66 123.64 3gfg n ARG 165 Ca 0.04 -3.29 0.09 0.00 -0.77 0.00 0.00 57.85 53.91 3gfg n ARG 165 Cb 0.41 -1.34 0.37 0.00 -1.02 0.00 0.00 32.46 30.89 3gfg n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gfg n PRO 166 N 1.60 0.07 0.00 5.56 -0.04 -1.25 -4.79 135.00 136.15 3gfg n PRO 166 Ca 0.23 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 3gfg n PRO 166 Cb 0.52 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3gfg n PRO 166 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gfg n GLU 167 N -1.75 0.00 0.00 0.54 1.02 -1.26 -4.94 120.64 114.25 3gfg n GLU 167 Ca 0.03 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3gfg n GLU 167 Cb 0.19 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3gfg n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gfg n ALA 179 N -1.83 0.00 -2.10 0.62 0.00 -1.26 -5.09 120.51 110.85 3gfg n ALA 179 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3gfg n ALA 179 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3gfg n ALA 179 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gfg n THR 180 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.76 114.28 106.02 3gfg n THR 180 Ca 0.00 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3gfg n THR 180 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 3gfg n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gfg n GLY 181 N -0.40 0.20 0.20 3.38 0.00 -1.26 -4.36 105.19 102.95 3gfg n GLY 181 Ca 0.11 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.18 2.61 1.35 -1.74 -2.13 112.91 113.18 3gfg h THR 182 Ca 0.00 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3gfg h THR 182 Cb 0.00 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3gfg h THR 182 CO 0.00 0.00 -0.09 0.25 -0.25 0.00 0.00 175.52 175.43 3gfg h LEU 183 N 0.00 -0.21 -0.87 3.87 5.85 -1.84 0.49 115.31 122.60 3gfg h LEU 183 Ca 0.00 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3gfg h LEU 183 Cb 0.78 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3gfg h LEU 183 CO 0.00 0.29 0.55 1.88 -0.34 0.00 0.00 178.44 180.82 3gfg h TYR 184 N -0.78 1.02 0.00 1.25 -1.99 -1.75 -0.95 116.97 113.79 3gfg h TYR 184 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gfg h TYR 184 Cb 0.52 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.91 3gfg h TYR 184 CO 0.07 0.54 -0.08 0.22 -0.00 0.00 0.00 178.16 178.91 3gfg h ASP 185 N 1.02 0.00 0.08 3.88 1.82 -1.39 -3.35 116.42 118.49 3gfg h ASP 185 Ca 0.37 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.65 3gfg h ASP 185 Cb 0.12 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 3gfg h ASP 185 CO -0.16 0.53 -2.08 0.18 -1.61 0.00 0.00 179.24 176.10 3gfg n LEU 186 N -4.67 2.64 0.03 2.28 4.77 0.15 -4.36 117.00 117.83 3gfg n LEU 186 Ca -0.01 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3gfg n LEU 186 Cb 0.04 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.01 3gfg n LEU 186 CO 0.02 0.82 0.51 1.23 -1.33 0.00 0.00 177.39 178.64 3gfg h GLY 187 N 1.09 -1.19 -1.01 -0.72 0.00 0.06 -2.80 103.07 98.50 3gfg h GLY 187 Ca -0.47 0.66 0.38 0.00 0.00 0.00 0.00 47.33 47.90 3gfg h GLY 187 CO 0.00 -0.29 0.60 -1.14 0.00 0.00 0.00 176.54 175.71 3gfg n SER 188 N -4.84 0.24 0.24 0.19 3.41 -0.45 0.23 113.62 112.64 3gfg n SER 188 Ca -0.06 1.30 -0.15 0.00 -0.26 0.00 0.00 58.87 59.70 3gfg n SER 188 Cb 0.31 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 3gfg n SER 188 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3gfg h HIS 189 N 0.00 -0.57 0.00 7.33 3.86 -1.70 -0.41 115.15 123.66 3gfg h HIS 189 Ca 0.74 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.94 3gfg h HIS 189 Cb 2.16 0.20 0.00 0.00 1.06 0.00 0.00 27.41 30.83 3gfg h HIS 189 CO -0.01 -0.34 0.00 -0.84 0.86 0.00 0.00 177.93 177.60 3gfg h ILE 190 N -0.58 0.00 -0.02 2.45 3.07 -0.32 -2.23 117.51 119.88 3gfg h ILE 190 Ca -0.05 -0.72 -0.01 0.00 1.55 0.00 0.00 64.86 65.63 3gfg h ILE 190 Cb 0.46 1.70 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 3gfg h ILE 190 CO 0.07 0.00 -0.03 0.40 -1.05 0.00 0.00 178.15 177.54 3gfg h ILE 191 N 0.00 1.39 -0.27 0.16 2.04 -1.25 -2.27 117.51 117.32 3gfg h ILE 191 Ca 0.00 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.72 3gfg h ILE 191 Cb 0.82 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 3gfg h ILE 191 CO 0.00 0.32 -0.14 -0.78 0.00 0.00 0.00 178.15 177.55 3gfg h ASP 192 N -0.42 -0.47 -0.93 1.72 3.58 -0.75 0.24 116.42 119.39 3gfg h ASP 192 Ca 0.00 0.11 0.16 0.00 0.42 0.00 0.00 57.03 57.72 3gfg h ASP 192 Cb 0.53 0.25 -0.10 0.00 1.72 0.00 0.00 39.33 41.74 3gfg h ASP 192 CO 0.01 -0.18 0.53 1.56 -2.88 0.00 0.00 179.24 178.28 3gfg h GLN 193 N -0.11 0.71 -0.18 0.28 4.20 -1.44 -0.21 115.11 118.37 3gfg h GLN 193 Ca 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3gfg h GLN 193 Cb 0.32 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3gfg h GLN 193 CO -0.34 0.47 0.01 1.15 -0.67 0.00 0.00 178.83 179.46 3gfg h THR 194 N 0.74 1.24 -0.48 -0.54 2.02 -0.38 -2.15 112.91 113.36 3gfg h THR 194 Ca 0.51 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 3gfg h THR 194 Cb 0.71 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3gfg h THR 194 CO -0.35 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 175.75 3gfg h LEU 195 N 0.07 0.78 -0.99 2.58 3.38 -0.74 -0.68 115.31 119.71 3gfg h LEU 195 Ca 0.05 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3gfg h LEU 195 Cb 0.35 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3gfg h LEU 195 CO 0.01 0.87 0.62 -0.74 0.09 0.00 0.00 178.44 179.29 3gfg h HIS 196 N 0.67 1.15 0.08 1.13 2.76 -1.02 0.49 115.15 120.41 3gfg h HIS 196 Ca 0.14 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3gfg h HIS 196 Cb 0.44 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3gfg h HIS 196 CO 0.03 0.53 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.08 3gfg h LEU 197 N 1.07 -0.09 -2.65 0.26 3.38 -0.89 -3.40 115.31 112.98 3gfg h LEU 197 Ca 0.45 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gfg h LEU 197 Cb 0.31 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gfg h LEU 197 CO -0.22 0.44 0.00 0.49 0.09 0.00 0.00 178.44 179.24 3gfg n PHE 198 N -4.89 0.00 -4.70 1.13 3.72 -0.31 -5.12 117.46 107.30 3gfg n PHE 198 Ca -0.08 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3gfg n PHE 198 Cb 0.27 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.41 -0.90 3.74 1.37 0.00 0.17 -4.78 105.19 104.38 3gfg n GLY 199 Ca 0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3gfg n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gfg s MET 200 N 0.00 4.49 0.98 1.61 -1.94 -1.26 -4.41 119.30 118.76 3gfg s MET 200 Ca 0.00 1.91 -0.15 0.00 -1.71 0.00 0.00 55.69 55.74 3gfg s MET 200 Cb 0.00 -3.22 0.18 0.00 2.01 0.00 0.00 34.83 33.80 3gfg s MET 200 CO 0.00 -0.08 1.19 -1.25 -0.01 0.00 0.00 175.02 174.87 3gfg s PRO 201 N -0.42 0.59 0.06 2.03 0.04 -1.26 -5.02 135.00 131.03 3gfg s PRO 201 Ca 0.52 -0.01 0.18 0.00 0.04 0.00 0.00 61.00 61.74 3gfg s PRO 201 Cb -0.33 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 3gfg s PRO 201 CO 0.38 -2.51 0.78 0.36 0.04 0.00 0.00 177.00 176.05 3gfg n LYS 202 N -3.92 0.63 -3.98 4.56 2.85 -0.48 -4.80 118.16 113.01 3gfg n LYS 202 Ca 0.11 0.16 -0.10 0.00 -1.05 0.00 0.00 58.31 57.43 3gfg n LYS 202 Cb 0.60 -1.77 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 3gfg n LYS 202 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gfg s ALA 203 N -3.02 -0.08 -0.02 0.58 0.00 -1.25 -1.44 121.76 116.53 3gfg s ALA 203 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3gfg s ALA 203 Cb 0.09 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3gfg s ALA 203 CO 0.82 -0.76 -0.07 0.08 0.00 0.00 0.00 175.76 175.83 3gfg s VAL 204 N -4.00 0.60 -0.07 0.00 1.01 0.79 -2.00 120.40 116.72 3gfg s VAL 204 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3gfg s VAL 204 Cb 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3gfg s VAL 204 CO 0.05 0.19 -0.06 -0.89 0.00 0.00 0.00 175.10 174.39 3gfg s THR 205 N 0.14 0.77 0.04 3.92 2.01 0.17 -1.27 115.64 121.43 3gfg s THR 205 Ca -0.02 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 3gfg s THR 205 Cb -0.07 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.68 3gfg s THR 205 CO -0.00 0.30 0.34 0.00 -0.69 0.00 0.00 174.62 174.57 3gfg s ALA 206 N 1.27 -0.79 -0.11 7.40 0.00 -1.26 0.81 121.76 129.07 3gfg s ALA 206 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.05 3gfg s ALA 206 Cb -0.14 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3gfg s ALA 206 CO -0.02 -0.43 -0.20 1.21 0.00 0.00 0.00 175.76 176.31 3gfg s ASN 207 N -2.05 3.39 -0.07 0.00 2.47 -0.76 -2.57 114.94 115.36 3gfg s ASN 207 Ca -0.05 -0.48 -0.02 0.00 0.42 0.00 0.00 52.86 52.73 3gfg s ASN 207 Cb -0.01 -1.46 0.03 0.00 -1.45 0.00 0.00 41.25 38.36 3gfg s ASN 207 CO -0.03 0.16 0.05 -0.69 -3.72 0.00 0.00 177.10 172.87 3gfg s VAL 208 N 0.33 0.01 0.13 -5.21 1.01 -1.26 -1.27 120.40 114.14 3gfg s VAL 208 Ca -0.16 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3gfg s VAL 208 Cb -0.17 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3gfg s VAL 208 CO 0.08 0.13 0.20 1.15 0.00 0.00 0.00 175.10 176.66 3gfg n MET 209 N 5.26 0.29 -3.95 2.72 0.00 -0.65 -4.93 117.12 115.87 3gfg n MET 209 Ca -0.04 -0.97 -0.31 0.00 0.00 0.00 0.00 57.70 56.38 3gfg n MET 209 Cb 0.50 0.99 -0.15 0.00 0.00 0.00 0.00 33.22 34.55 3gfg n MET 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gfg s ALA 210 N -1.87 2.12 -0.01 3.17 0.00 -1.26 -2.12 121.76 121.78 3gfg s ALA 210 Ca 0.09 -1.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 3gfg s ALA 210 Cb -0.01 -1.54 -0.26 0.00 0.00 0.00 0.00 23.12 21.31 3gfg s ALA 210 CO 0.07 -1.31 1.03 1.96 0.00 0.00 0.00 175.76 177.51 3gfg h GLN 211 N 7.90 0.36 -6.92 0.00 4.20 -1.90 -3.47 115.11 115.29 3gfg h GLN 211 Ca -0.16 -0.45 -0.55 0.00 0.06 0.00 0.00 58.65 57.54 3gfg h GLN 211 Cb 1.06 0.14 0.13 0.00 0.30 0.00 0.00 27.48 29.11 3gfg h GLN 211 CO 0.44 1.14 0.60 0.54 -0.67 0.00 0.00 178.83 180.88 3gfg n ARG 212 N -4.20 2.05 -1.95 1.46 1.74 -1.26 -4.91 116.66 109.60 3gfg n ARG 212 Ca -0.11 0.73 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 3gfg n ARG 212 Cb 0.72 -2.51 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 3gfg n ARG 212 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gfg s GLU 213 N -2.39 4.22 0.00 5.56 -6.30 -1.26 -1.95 118.70 116.59 3gfg s GLU 213 Ca 0.62 2.39 0.00 0.00 -2.50 0.00 0.00 54.97 55.49 3gfg s GLU 213 Cb -0.47 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 30.61 3gfg s GLU 213 CO 0.57 -0.43 0.00 0.09 0.02 0.00 0.00 175.26 175.51 3gfg n ASN 214 N 1.47 0.00 -4.60 -1.70 5.03 -1.26 -4.96 115.26 109.24 3gfg n ASN 214 Ca 0.04 0.00 -0.57 0.00 0.87 0.00 0.00 54.58 54.92 3gfg n ASN 214 Cb 0.40 -0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 38.46 3gfg n ASN 214 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gfg n ALA 215 N 0.63 -1.69 -0.10 5.41 0.00 -0.82 -4.88 120.51 119.06 3gfg n ALA 215 Ca 0.00 0.52 -0.24 0.00 0.00 0.00 0.00 53.44 53.72 3gfg n ALA 215 Cb 0.00 -1.99 -0.12 0.00 0.00 0.00 0.00 19.45 17.34 3gfg n ALA 215 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gfg n GLU 216 N 2.87 0.61 -2.77 0.00 4.71 -1.26 -4.92 120.64 119.88 3gfg n GLU 216 Ca 0.22 0.40 -0.20 0.00 -0.01 0.00 0.00 57.16 57.57 3gfg n GLU 216 Cb 0.12 -1.65 0.03 0.00 -1.01 0.00 0.00 31.44 28.93 3gfg n GLU 216 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3gfg s THR 217 N -2.45 2.77 0.10 2.62 -4.23 -1.26 -4.95 115.64 108.24 3gfg s THR 217 Ca -0.31 -0.78 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 3gfg s THR 217 Cb 0.09 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 3gfg s THR 217 CO 0.60 0.00 1.51 -0.69 -0.54 0.00 0.00 174.62 175.50 3gfg s VAL 218 N -2.63 3.09 0.00 2.29 1.01 -1.26 -4.65 120.40 118.24 3gfg s VAL 218 Ca 0.57 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3gfg s VAL 218 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3gfg s VAL 218 CO 0.37 0.03 0.20 -0.90 0.00 0.00 0.00 175.10 174.80 3gfg n ASP 219 N 4.55 0.41 -3.80 3.32 5.68 -0.90 -1.93 116.55 123.89 3gfg n ASP 219 Ca 0.13 -0.74 -0.13 0.00 -0.50 0.00 0.00 54.79 53.55 3gfg n ASP 219 Cb 0.41 0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.25 -0.20 -0.05 2.11 5.04 -1.02 -1.73 117.35 121.24 3gfg s TYR 220 Ca 0.00 0.50 -0.13 0.00 -2.44 0.00 0.00 57.07 55.01 3gfg s TYR 220 Cb 0.00 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.38 3gfg s TYR 220 CO 0.00 -0.11 0.29 -0.59 -1.34 0.00 0.00 175.55 173.80 3gfg s PHE 221 N 0.29 -0.21 -0.15 4.97 -0.12 0.59 -1.64 117.98 121.71 3gfg s PHE 221 Ca -0.02 0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 57.23 3gfg s PHE 221 Cb -0.03 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.51 3gfg s PHE 221 CO -0.01 -0.30 0.11 -1.58 -0.05 0.00 0.00 175.22 173.39 3gfg s HIS 222 N -0.83 0.07 -0.13 3.49 2.46 -0.40 -0.67 115.29 119.28 3gfg s HIS 222 Ca -0.09 -0.06 0.01 0.00 0.47 0.00 0.00 55.06 55.39 3gfg s HIS 222 Cb -0.04 -0.57 -0.00 0.00 -0.13 0.00 0.00 32.58 31.83 3gfg s HIS 222 CO 0.03 -0.45 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.16 3gfg s LEU 223 N 2.19 2.41 -0.23 8.88 1.02 0.99 -1.83 118.68 132.10 3gfg s LEU 223 Ca 0.03 -0.47 -0.09 0.00 0.02 0.00 0.00 54.13 53.63 3gfg s LEU 223 Cb -0.15 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3gfg s LEU 223 CO -0.08 0.13 0.10 -0.89 0.02 0.00 0.00 176.35 175.63 3gfg s THR 224 N 0.56 4.82 -0.27 5.49 2.01 0.24 -0.85 115.64 127.64 3gfg s THR 224 Ca -0.11 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 3gfg s THR 224 Cb -0.16 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3gfg s THR 224 CO 0.04 0.37 0.13 -0.76 -0.69 0.00 0.00 174.62 173.70 3gfg s LEU 225 N 1.13 3.75 -0.36 4.42 1.02 0.04 -0.66 118.68 128.01 3gfg s LEU 225 Ca 0.05 -0.15 -0.21 0.00 0.02 0.00 0.00 54.13 53.84 3gfg s LEU 225 Cb -0.14 -2.01 0.00 0.00 0.02 0.00 0.00 46.19 44.06 3gfg s LEU 225 CO 0.04 -0.06 0.69 -0.62 0.02 0.00 0.00 176.35 176.42 3gfg s ASP 226 N 1.68 6.48 -0.35 2.29 2.15 -0.85 -1.71 116.67 126.35 3gfg s ASP 226 Ca 0.06 0.23 0.06 0.00 0.43 0.00 0.00 52.55 53.33 3gfg s ASP 226 Cb -0.16 -2.35 0.46 0.00 -0.30 0.00 0.00 42.92 40.57 3gfg s ASP 226 CO 0.07 -0.64 1.38 -1.22 -0.17 0.00 0.00 175.17 174.59 3gfg n TYR 227 N 6.17 2.46 0.00 -5.34 4.01 -0.20 -1.38 117.16 122.88 3gfg n TYR 227 Ca 0.00 -2.25 0.00 0.00 -0.16 0.00 0.00 57.90 55.50 3gfg n TYR 227 Cb 0.48 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.82 2.31 0.22 2.72 0.00 -1.26 -3.22 105.19 105.14 3gfg n GLY 228 Ca 0.44 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3gfg n GLY 228 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gfg h LYS 229 N 0.00 0.00 -5.96 1.61 3.64 -1.97 -3.41 116.57 110.48 3gfg h LYS 229 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3gfg h LYS 229 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3gfg h LYS 229 CO 0.00 0.25 0.03 -1.17 -2.27 0.00 0.00 179.45 176.29 3gfg s LEU 230 N -7.60 4.31 -0.09 5.20 2.96 -1.20 -4.81 118.68 117.45 3gfg s LEU 230 Ca -0.02 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 3gfg s LEU 230 Cb 0.13 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 3gfg s LEU 230 CO 0.66 -0.08 -0.21 -1.10 -1.32 0.00 0.00 176.35 174.30 3gfg s GLN 231 N 0.71 2.99 -0.17 1.98 -1.52 0.44 -1.03 119.66 123.06 3gfg s GLN 231 Ca 0.34 -0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 52.91 3gfg s GLN 231 Cb -0.17 -2.36 -0.01 0.00 -0.22 0.00 0.00 33.01 30.26 3gfg s GLN 231 CO 0.16 0.26 -0.11 0.00 -0.25 0.00 0.00 175.29 175.35 3gfg s ALA 232 N 0.16 2.64 -0.25 6.09 0.00 -0.69 -1.29 121.76 128.42 3gfg s ALA 232 Ca -0.12 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 3gfg s ALA 232 Cb -0.16 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3gfg s ALA 232 CO 0.06 -0.12 -0.08 0.42 0.00 0.00 0.00 175.76 176.04 3gfg s ILE 233 N 0.96 2.61 -0.21 0.00 -1.09 0.14 -0.78 121.20 122.82 3gfg s ILE 233 Ca -0.02 -1.20 0.02 0.00 -2.23 0.00 0.00 60.65 57.22 3gfg s ILE 233 Cb -0.15 -2.37 0.04 0.00 -1.58 0.00 0.00 42.46 38.40 3gfg s ILE 233 CO -0.01 0.15 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.93 3gfg s LEU 234 N 1.26 2.67 0.07 2.97 1.43 -0.03 0.38 118.68 127.43 3gfg s LEU 234 Ca -0.02 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 3gfg s LEU 234 Cb -0.17 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3gfg s LEU 234 CO -0.05 -0.08 -0.01 -0.72 0.23 0.00 0.00 176.35 175.72 3gfg s TYR 235 N 1.22 0.64 -0.28 0.29 -0.85 -0.37 -0.00 117.35 118.00 3gfg s TYR 235 Ca -0.00 -1.10 -0.26 0.00 -0.52 0.00 0.00 57.07 55.19 3gfg s TYR 235 Cb -0.16 -0.43 0.15 0.00 0.38 0.00 0.00 41.96 41.90 3gfg s TYR 235 CO -0.10 -0.39 1.17 0.20 -1.52 0.00 0.00 175.55 174.91 3gfg s GLY 236 N -2.96 0.01 0.25 5.49 0.00 0.15 -0.48 107.32 109.78 3gfg s GLY 236 Ca 0.12 2.90 0.04 0.00 0.00 0.00 0.00 44.72 47.78 3gfg s GLY 236 CO -0.07 1.79 -0.01 -0.32 0.00 0.00 0.00 173.10 174.49 3gfg s GLY 237 N 0.03 1.68 0.00 0.20 0.00 -1.26 -0.30 107.32 107.67 3gfg s GLY 237 Ca 0.04 -1.84 0.18 0.00 0.00 0.00 0.00 44.72 43.11 3gfg s GLY 237 CO -0.09 -1.72 1.06 1.44 0.00 0.00 0.00 173.10 173.79 3gfg n SER 238 N -0.49 2.47 -2.47 1.64 7.64 -0.71 -1.91 113.62 119.80 3gfg n SER 238 Ca -0.05 -1.74 -0.28 0.00 1.01 0.00 0.00 58.87 57.81 3gfg n SER 238 Cb 0.64 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.99 2.55 -3.79 0.44 5.41 -1.09 0.12 119.36 124.00 3gfg n ILE 239 Ca 0.10 -4.74 -0.37 0.00 1.00 0.00 0.00 62.75 58.74 3gfg n ILE 239 Cb 0.44 -1.25 -0.12 0.00 -0.71 0.00 0.00 39.64 38.00 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 -5.36 3.50 0.08 1.39 1.01 -0.25 -4.95 120.40 115.82 3gfg s VAL 240 Ca 0.49 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 3gfg s VAL 240 Cb 0.41 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3gfg s VAL 240 CO -0.18 -0.25 1.53 -0.65 0.00 0.00 0.00 175.10 175.55 3gfg h PRO 241 N 8.14 0.36 -4.71 2.72 0.11 -1.94 -2.99 132.00 133.69 3gfg h PRO 241 Ca -0.21 -0.10 -0.56 0.00 0.11 0.00 0.00 66.00 65.24 3gfg h PRO 241 Cb 1.07 -0.04 -0.34 0.00 0.11 0.00 0.00 31.00 31.81 3gfg h PRO 241 CO 0.61 0.52 -0.83 0.00 -0.21 0.00 0.00 178.00 178.09 3gfg s ALA 242 N -5.10 1.50 0.35 -0.75 0.00 -1.26 -4.90 121.76 111.60 3gfg s ALA 242 Ca -0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 3gfg s ALA 242 Cb 0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 22.42 3gfg s ALA 242 CO 0.73 0.09 0.89 -0.80 0.00 0.00 0.00 175.76 176.67 3gfg s ASN 243 N 0.70 7.08 0.32 0.00 0.01 -1.26 -5.09 114.94 116.71 3gfg s ASN 243 Ca -0.13 1.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 3gfg s ASN 243 Cb -0.16 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3gfg s ASN 243 CO 0.03 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 3gfg n GLY 244 N 0.02 -0.13 3.69 0.66 0.00 -1.26 -5.00 105.19 103.17 3gfg n GLY 244 Ca 0.03 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gfg n PRO 245 N -0.45 1.53 -0.05 1.61 -0.02 -1.26 -4.81 135.00 131.56 3gfg n PRO 245 Ca 0.00 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3gfg n PRO 245 Cb 0.00 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gfg h ARG 246 N 1.39 0.75 -5.24 -0.52 2.43 -0.25 -3.40 114.38 109.53 3gfg h ARG 246 Ca -0.49 -0.54 -0.61 0.00 -0.81 0.00 0.00 59.98 57.53 3gfg h ARG 246 Cb 1.32 0.09 -0.32 0.00 -0.42 0.00 0.00 29.97 30.63 3gfg h ARG 246 CO 0.56 1.16 -0.85 0.71 -1.51 0.00 0.00 179.97 180.03 3gfg s TYR 247 N -3.94 2.07 -0.17 2.20 2.02 -0.50 -1.46 117.35 117.59 3gfg s TYR 247 Ca -0.11 -0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 55.84 3gfg s TYR 247 Cb 0.08 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.28 3gfg s TYR 247 CO 0.87 -0.29 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.88 3gfg s GLN 248 N 0.27 1.24 -0.19 -0.62 -0.21 -0.32 -1.36 119.66 118.47 3gfg s GLN 248 Ca -0.12 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.79 3gfg s GLN 248 Cb -0.15 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 31.94 3gfg s GLN 248 CO 0.05 -0.46 -0.07 0.42 -2.12 0.00 0.00 175.29 173.11 3gfg s ILE 249 N 1.69 1.35 -0.17 1.08 1.01 0.24 -0.39 121.20 126.01 3gfg s ILE 249 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3gfg s ILE 249 Cb -0.15 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 3gfg s ILE 249 CO -0.07 0.11 -0.14 -1.00 0.00 0.00 0.00 174.94 173.84 3gfg s HIS 250 N 1.52 2.82 0.00 3.97 3.76 -0.71 -0.43 115.29 126.21 3gfg s HIS 250 Ca -0.01 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 3gfg s HIS 250 Cb -0.16 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.60 3gfg s HIS 250 CO -0.08 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.72 3gfg n GLY 251 N 4.21 4.05 0.29 -2.22 0.00 0.71 0.25 105.19 112.48 3gfg n GLY 251 Ca -0.19 -2.16 0.17 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.50 -3.30 116.57 115.48 3gfg h LYS 252 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gfg h LYS 252 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3gfg h LYS 252 CO 0.00 0.05 -0.61 -0.25 -2.00 0.00 0.00 179.45 176.64 3gfg n ASP 253 N -3.26 3.07 -3.59 7.07 10.43 -1.26 -5.02 116.55 123.99 3gfg n ASP 253 Ca -0.01 -0.04 -0.13 0.00 2.57 0.00 0.00 54.79 57.17 3gfg n ASP 253 Cb 0.24 0.70 -0.05 0.00 1.84 0.00 0.00 41.12 43.85 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 -1.32 -0.40 -0.00 -2.24 1.04 -1.24 0.50 113.70 110.03 3gfg s SER 254 Ca 0.00 0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.56 3gfg s SER 254 Cb 0.00 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 3gfg s SER 254 CO 0.00 -0.73 -0.06 -0.44 0.98 0.00 0.00 173.24 173.00 3gfg s SER 255 N -2.05 0.64 -0.18 7.02 0.01 -0.29 -0.21 113.70 118.65 3gfg s SER 255 Ca -0.05 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.09 3gfg s SER 255 Cb -0.01 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.17 3gfg s SER 255 CO -0.03 0.05 -0.17 0.12 0.41 0.00 0.00 173.24 173.63 3gfg s PHE 256 N -0.20 2.79 -0.20 2.43 5.36 0.42 -1.17 117.98 127.42 3gfg s PHE 256 Ca 0.01 -1.36 0.00 0.00 -0.96 0.00 0.00 56.93 54.62 3gfg s PHE 256 Cb -0.03 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3gfg s PHE 256 CO -0.00 -0.67 -0.06 0.42 -1.46 0.00 0.00 175.22 173.45 3gfg s ILE 257 N 1.15 1.40 -0.07 3.12 1.01 -0.65 -0.59 121.20 126.57 3gfg s ILE 257 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3gfg s ILE 257 Cb -0.14 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3gfg s ILE 257 CO -0.07 0.04 -0.17 -0.75 0.00 0.00 0.00 174.94 173.99 3gfg s LYS 258 N 1.48 2.08 0.59 2.79 2.20 -0.47 -2.14 119.74 126.27 3gfg s LYS 258 Ca -0.02 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 3gfg s LYS 258 Cb -0.17 -1.69 0.03 0.00 -1.51 0.00 0.00 37.83 34.49 3gfg s LYS 258 CO -0.07 0.14 0.85 0.71 -0.36 0.00 0.00 175.35 176.62 3gfg s TYR 259 N 0.37 2.96 0.00 4.03 2.02 -1.26 0.48 117.35 125.94 3gfg s TYR 259 Ca -0.12 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3gfg s TYR 259 Cb -0.15 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 3gfg s TYR 259 CO 0.05 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.47 3gfg n GLY 260 N -2.51 1.72 3.32 0.71 0.00 -1.26 -4.74 105.19 102.42 3gfg n GLY 260 Ca 0.07 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 3gfg n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gfg s ILE 261 N -2.45 1.78 0.14 -0.61 2.07 -1.26 -4.73 121.20 116.15 3gfg s ILE 261 Ca 0.00 -1.80 -0.30 0.00 -1.41 0.00 0.00 60.65 57.14 3gfg s ILE 261 Cb 0.00 -1.75 -0.07 0.00 0.13 0.00 0.00 42.46 40.77 3gfg s ILE 261 CO 0.00 -0.24 1.17 -0.62 -1.91 0.00 0.00 174.94 173.34 3gfg s ASP 262 N -2.43 7.14 -0.18 4.50 2.15 -1.26 -4.97 116.67 121.62 3gfg s ASP 262 Ca 0.13 2.11 0.16 0.00 0.43 0.00 0.00 52.55 55.38 3gfg s ASP 262 Cb -0.07 -2.60 0.65 0.00 -0.30 0.00 0.00 42.92 40.61 3gfg s ASP 262 CO 0.06 -0.36 1.57 0.61 -0.17 0.00 0.00 175.17 176.87 3gfg n GLY 263 N 2.51 3.42 0.35 2.66 0.00 -1.26 -4.55 105.19 108.31 3gfg n GLY 263 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 3gfg n GLY 263 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gfg h GLN 264 N 2.94 -0.38 -0.58 1.61 4.20 -1.92 -1.67 115.11 119.31 3gfg h GLN 264 Ca 0.00 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.85 3gfg h GLN 264 Cb 1.62 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 29.39 3gfg h GLN 264 CO 0.32 -0.25 0.09 0.93 -0.67 0.00 0.00 178.83 179.25 3gfg h GLU 265 N -0.39 0.21 -0.86 1.46 5.08 -1.99 -1.29 114.58 116.80 3gfg h GLU 265 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3gfg h GLU 265 Cb 0.56 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3gfg h GLU 265 CO -0.39 0.14 0.56 -0.44 -1.00 0.00 0.00 179.01 177.88 3gfg h ASP 266 N 0.22 0.91 0.29 1.42 3.32 -1.81 -0.29 116.42 120.48 3gfg h ASP 266 Ca 0.30 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 3gfg h ASP 266 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gfg h ASP 266 CO -0.41 0.62 -0.43 0.00 -1.72 0.00 0.00 179.24 177.30 3gfg h ALA 267 N 1.50 1.14 -0.20 3.45 0.00 -0.32 -2.09 119.26 122.75 3gfg h ALA 267 Ca 0.34 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3gfg h ALA 267 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gfg h ALA 267 CO -0.10 0.59 -0.68 -0.07 0.00 0.00 0.00 179.25 178.98 3gfg h LEU 268 N 0.15 0.95 -0.86 0.00 3.38 -0.45 -1.22 115.31 117.25 3gfg h LEU 268 Ca 0.01 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.46 3gfg h LEU 268 Cb 0.82 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3gfg h LEU 268 CO 0.06 1.38 0.52 0.03 0.09 0.00 0.00 178.44 180.52 3gfg h ARG 269 N 0.57 0.89 0.00 1.13 3.08 -0.86 -3.10 114.38 116.08 3gfg h ARG 269 Ca -0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3gfg h ARG 269 Cb 1.31 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3gfg h ARG 269 CO 0.14 0.59 -0.58 0.00 -1.07 0.00 0.00 179.97 179.05 3gfg h ALA 270 N 1.44 0.79 0.00 0.04 0.00 -1.40 -3.47 119.26 116.65 3gfg h ALA 270 Ca 0.40 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gfg h ALA 270 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gfg h ALA 270 CO -0.21 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3gfg n GLY 271 N 0.69 1.46 3.89 0.00 0.00 -1.17 -5.12 105.19 104.94 3gfg n GLY 271 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 3.71 0.16 1.61 0.52 -0.47 -5.03 118.95 119.32 3gfg s ARG 272 Ca 0.00 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 3gfg s ARG 272 Cb 0.00 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 3gfg s ARG 272 CO 0.00 0.25 -0.15 0.15 0.02 0.00 0.00 175.30 175.57 3gfg s LYS 273 N -3.20 1.18 -0.63 3.54 1.02 -1.26 -4.19 119.74 116.20 3gfg s LYS 273 Ca 0.46 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.79 3gfg s LYS 273 Cb -0.11 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.10 3gfg s LYS 273 CO 0.26 0.20 1.99 -2.14 -0.92 0.00 0.00 175.35 174.74 3gfg s PRO 274 N -3.06 2.48 -0.17 -1.68 0.02 -1.26 -4.76 135.00 126.57 3gfg s PRO 274 Ca 0.15 0.65 0.03 0.00 0.02 0.00 0.00 61.00 61.86 3gfg s PRO 274 Cb -0.03 -4.52 -0.13 0.00 0.02 0.00 0.00 34.50 29.84 3gfg s PRO 274 CO 0.05 -2.97 -0.12 0.39 -0.33 0.00 0.00 177.00 174.02 3gfg n GLU 275 N 9.11 0.67 -3.31 5.54 4.71 -1.26 -4.95 120.64 131.15 3gfg n GLU 275 Ca 0.27 0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.39 3gfg n GLU 275 Cb 0.52 -1.36 -0.04 0.00 -1.01 0.00 0.00 31.44 29.54 3gfg n GLU 275 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3gfg n ASP 276 N -2.94 -0.44 0.00 1.62 5.75 -1.26 -5.06 116.55 114.22 3gfg n ASP 276 Ca -0.30 -2.29 0.08 0.00 -0.01 0.00 0.00 54.79 52.26 3gfg n ASP 276 Cb 0.86 1.02 0.48 0.00 -1.03 0.00 0.00 41.12 42.46 3gfg n ASP 276 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gfg n ASP 277 N -2.20 0.00 -0.55 -1.12 8.00 -1.26 -2.80 116.55 116.62 3gfg n ASP 277 Ca 0.04 -1.24 0.05 0.00 0.71 0.00 0.00 54.79 54.35 3gfg n ASP 277 Cb 0.36 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.57 3gfg n ASP 277 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gfg n SER 278 N -0.79 2.52 -4.76 -2.24 3.41 -1.26 -4.98 113.62 105.53 3gfg n SER 278 Ca 0.12 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.53 3gfg n SER 278 Cb 0.06 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3gfg n SER 278 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3gfg s TRP 279 N -0.96 2.94 0.00 7.33 -0.11 -1.12 -3.18 118.94 123.84 3gfg s TRP 279 Ca 0.19 1.11 0.00 0.00 1.22 0.00 0.00 56.10 58.61 3gfg s TRP 279 Cb 0.11 -3.84 0.00 0.00 -1.50 0.00 0.00 33.47 28.24 3gfg s TRP 279 CO 0.15 -2.62 0.00 0.41 -4.62 0.00 0.00 176.95 170.27 3gfg n GLY 280 N 1.67 0.61 3.76 5.86 0.00 -1.26 -4.27 105.19 111.56 3gfg n GLY 280 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.01 2.41 0.67 4.61 0.00 -1.19 -0.21 121.76 126.03 3gfg s ALA 281 Ca 0.00 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3gfg s ALA 281 Cb 0.00 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.87 3gfg s ALA 281 CO 0.00 -1.37 0.92 0.34 0.00 0.00 0.00 175.76 175.65 3gfg s ASP 282 N -2.37 4.63 -0.20 0.00 -1.08 -1.26 -4.80 116.67 111.59 3gfg s ASP 282 Ca 0.69 -0.42 -0.08 0.00 -0.52 0.00 0.00 52.55 52.22 3gfg s ASP 282 Cb -0.23 -0.07 -0.04 0.00 -1.46 0.00 0.00 42.92 41.12 3gfg s ASP 282 CO 0.41 -1.66 0.09 -0.69 0.52 0.00 0.00 175.17 173.84 3gfg s VAL 283 N -2.99 4.86 0.14 1.11 1.01 -1.26 -5.01 120.40 118.27 3gfg s VAL 283 Ca 0.64 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 3gfg s VAL 283 Cb -0.06 -3.22 0.22 0.00 0.00 0.00 0.00 36.38 33.31 3gfg s VAL 283 CO 0.42 0.42 0.76 -2.65 0.00 0.00 0.00 175.10 174.05 3gfg n PRO 284 N 3.88 -0.04 -0.03 2.72 -0.01 -1.26 0.37 135.00 140.63 3gfg n PRO 284 Ca -0.16 0.74 -0.01 0.00 -0.01 0.00 0.00 63.50 64.07 3gfg n PRO 284 Cb 0.52 -1.14 0.27 0.00 -0.01 0.00 0.00 33.50 33.15 3gfg n PRO 284 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 3gfg h GLU 285 N 0.00 0.59 -0.09 -0.52 9.09 -2.03 -2.68 114.58 118.93 3gfg h GLU 285 Ca 0.25 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.54 3gfg h GLU 285 Cb 0.45 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3gfg h GLU 285 CO -0.48 0.59 0.00 1.19 0.05 0.00 0.00 179.01 180.36 3gfg n PHE 286 N -4.28 0.11 -1.75 2.06 3.72 0.16 -4.92 117.46 112.57 3gfg n PHE 286 Ca 0.02 -0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 3gfg n PHE 286 Cb 0.24 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3gfg n PHE 286 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gfg n TYR 287 N -0.08 2.65 -2.38 1.38 4.01 -1.01 -4.34 117.16 117.38 3gfg n TYR 287 Ca 0.16 0.47 -0.33 0.00 -0.16 0.00 0.00 57.90 58.04 3gfg n TYR 287 Cb 0.25 -2.47 -0.03 0.00 -0.31 0.00 0.00 39.34 36.79 3gfg n TYR 287 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gfg s GLY 288 N -0.33 2.25 -0.12 2.72 0.00 -1.23 -4.76 107.32 105.84 3gfg s GLY 288 Ca 0.57 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 3gfg s GLY 288 CO 0.61 0.69 -0.04 0.54 0.00 0.00 0.00 173.10 174.90 3gfg s LYS 289 N -3.73 3.26 -0.29 2.90 1.02 -0.91 -0.91 119.74 121.07 3gfg s LYS 289 Ca 0.63 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.12 3gfg s LYS 289 Cb -0.13 -2.79 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3gfg s LYS 289 CO 0.27 0.46 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.96 3gfg s LEU 290 N -0.24 3.86 -0.01 3.17 2.96 -0.27 -1.63 118.68 126.52 3gfg s LEU 290 Ca 0.04 -1.45 -0.17 0.00 -0.22 0.00 0.00 54.13 52.33 3gfg s LEU 290 Cb -0.13 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3gfg s LEU 290 CO 0.02 -0.26 0.46 -0.89 -1.32 0.00 0.00 176.35 174.37 3gfg s THR 291 N 1.15 5.00 -0.04 3.68 2.01 -0.31 -2.84 115.64 124.28 3gfg s THR 291 Ca -0.05 0.95 0.02 0.00 0.31 0.00 0.00 61.69 62.93 3gfg s THR 291 Cb -0.20 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.54 3gfg s THR 291 CO -0.04 0.51 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.41 3gfg s THR 292 N -0.64 0.90 -0.15 -0.82 2.01 -0.73 -1.14 115.64 115.08 3gfg s THR 292 Ca 0.25 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3gfg s THR 292 Cb -0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 3gfg s THR 292 CO 0.14 0.29 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.56 3gfg s ILE 293 N 0.42 2.58 -0.08 1.82 1.01 0.18 -2.06 121.20 125.06 3gfg s ILE 293 Ca -0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 3gfg s ILE 293 Cb -0.12 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3gfg s ILE 293 CO 0.01 0.52 -0.05 -0.13 0.00 0.00 0.00 174.94 175.30 3gfg s ARG 294 N 0.80 1.12 7.47 2.79 1.81 -0.94 -4.76 118.95 127.23 3gfg s ARG 294 Ca -0.06 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.83 3gfg s ARG 294 Cb -0.15 -1.25 0.00 0.00 -0.45 0.00 0.00 34.95 33.10 3gfg s ARG 294 CO -0.00 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 174.80 3gfg n GLY 295 N 4.78 3.11 0.83 -3.53 0.00 -1.26 -1.33 105.19 107.79 3gfg n GLY 295 Ca -0.13 0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3gfg n GLY 295 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gfg n SER 296 N 9.63 2.24 -4.56 1.61 7.64 -1.26 -4.98 113.62 123.94 3gfg n SER 296 Ca 0.00 -3.72 -0.39 0.00 1.01 0.00 0.00 58.87 55.77 3gfg n SER 296 Cb 0.00 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 62.52 3gfg n SER 296 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gfg s ASP 297 N -2.81 5.96 -0.20 6.43 2.15 -0.44 -5.07 116.67 122.69 3gfg s ASP 297 Ca 0.41 -0.16 -0.02 0.00 0.43 0.00 0.00 52.55 53.21 3gfg s ASP 297 Cb 0.38 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 3gfg s ASP 297 CO -0.02 -0.11 -0.11 -0.75 -0.17 0.00 0.00 175.17 174.01 3gfg s LYS 298 N 1.73 3.22 -0.09 4.34 2.20 -1.26 -2.21 119.74 127.67 3gfg s LYS 298 Ca 0.07 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 3gfg s LYS 298 Cb -0.16 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3gfg s LYS 298 CO 0.10 -0.19 -0.10 0.21 -0.36 0.00 0.00 175.35 175.02 3gfg s LYS 299 N 1.36 1.59 -0.08 4.03 2.20 -0.87 -5.00 119.74 122.97 3gfg s LYS 299 Ca 0.05 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3gfg s LYS 299 Cb -0.14 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.66 3gfg s LYS 299 CO -0.07 -0.13 0.03 0.99 -0.36 0.00 0.00 175.35 175.81 3gfg s THR 300 N 1.23 4.55 -0.25 3.43 2.01 -1.26 -1.77 115.64 123.58 3gfg s THR 300 Ca -0.04 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 3gfg s THR 300 Cb -0.14 -2.96 0.10 0.00 0.01 0.00 0.00 72.50 69.52 3gfg s THR 300 CO -0.03 0.56 0.56 -0.70 -0.69 0.00 0.00 174.62 174.32 3gfg s GLU 301 N -1.06 0.50 -0.16 4.92 2.12 -1.13 -5.00 118.70 118.89 3gfg s GLU 301 Ca 0.15 1.22 -0.29 0.00 0.36 0.00 0.00 54.97 56.42 3gfg s GLU 301 Cb -0.12 0.50 -0.00 0.00 0.26 0.00 0.00 34.13 34.77 3gfg s GLU 301 CO 0.04 -0.20 0.99 0.99 -0.54 0.00 0.00 175.26 176.54 3gfg s THR 302 N 2.46 4.76 -0.42 -1.70 2.01 -1.26 -1.12 115.64 120.38 3gfg s THR 302 Ca -0.06 1.97 -0.09 0.00 0.31 0.00 0.00 61.69 63.82 3gfg s THR 302 Cb -0.11 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.20 3gfg s THR 302 CO -0.17 -0.06 0.26 -0.63 -0.69 0.00 0.00 174.62 173.34 3gfg s ILE 303 N 2.46 4.23 0.18 1.82 -1.09 -0.09 -4.99 121.20 123.72 3gfg s ILE 303 Ca 0.45 -1.40 -0.32 0.00 -2.23 0.00 0.00 60.65 57.15 3gfg s ILE 303 Cb -0.17 -3.59 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 3gfg s ILE 303 CO 0.13 -0.51 1.68 -2.84 -1.23 0.00 0.00 174.94 172.17 3gfg s PRO 304 N 1.42 4.16 0.41 2.79 0.02 -1.26 -3.50 135.00 139.04 3gfg s PRO 304 Ca 0.03 2.52 -0.26 0.00 0.02 0.00 0.00 61.00 63.31 3gfg s PRO 304 Cb -0.23 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.04 3gfg s PRO 304 CO 0.02 -0.72 1.35 -1.12 -0.33 0.00 0.00 177.00 176.20 3gfg s SER 305 N 1.33 6.21 -0.16 2.53 0.01 -1.26 -4.98 113.70 117.38 3gfg s SER 305 Ca 0.74 2.76 -0.29 0.00 1.31 0.00 0.00 55.95 60.46 3gfg s SER 305 Cb -0.47 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.10 3gfg s SER 305 CO 0.32 -0.93 1.15 -0.69 0.41 0.00 0.00 173.24 173.50 3gfg s VAL 306 N -1.23 4.47 0.19 3.43 1.01 -1.26 -4.72 120.40 122.29 3gfg s VAL 306 Ca 0.57 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 64.02 3gfg s VAL 306 Cb -0.40 -4.15 -0.16 0.00 0.00 0.00 0.00 36.38 31.67 3gfg s VAL 306 CO 0.52 -0.11 0.86 0.59 0.00 0.00 0.00 175.10 176.96 3gfg n ASN 307 N 6.10 0.14 -4.76 3.32 4.13 -1.26 -4.41 115.26 118.52 3gfg n ASN 307 Ca 0.12 1.15 -0.35 0.00 1.68 0.00 0.00 54.58 57.18 3gfg n ASN 307 Cb 0.46 -1.09 0.04 0.00 -1.54 0.00 0.00 39.78 37.65 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 -0.53 2.49 -0.46 7.41 0.00 0.70 -4.73 107.32 112.20 3gfg s GLY 308 Ca 0.68 0.82 0.07 0.00 0.00 0.00 0.00 44.72 46.28 3gfg s GLY 308 CO 0.56 1.19 0.75 -1.26 0.00 0.00 0.00 173.10 174.34 3gfg n SER 309 N -1.94 -1.97 0.25 1.64 2.88 -0.63 -4.24 113.62 109.62 3gfg n SER 309 Ca 0.12 -3.07 0.09 0.00 -1.33 0.00 0.00 58.87 54.69 3gfg n SER 309 Cb 0.51 1.03 0.66 0.00 -0.75 0.00 0.00 64.21 65.65 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 4.14 0.00 -0.95 0.66 0.05 -1.89 -1.50 116.97 117.48 3gfg h TYR 310 Ca -0.05 0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.01 3gfg h TYR 310 Cb 0.99 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.57 3gfg h TYR 310 CO 0.13 0.11 0.28 -0.07 -1.05 0.00 0.00 178.16 177.56 3gfg h LEU 311 N 0.00 0.01 -1.25 3.88 3.38 -1.96 -0.81 115.31 118.56 3gfg h LEU 311 Ca -0.00 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.29 3gfg h LEU 311 Cb 0.22 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3gfg h LEU 311 CO 0.01 -0.25 0.55 0.74 0.09 0.00 0.00 178.44 179.58 3gfg h THR 312 N 0.14 0.97 -0.57 0.22 2.02 -1.69 -0.99 112.91 113.01 3gfg h THR 312 Ca 0.64 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.54 3gfg h THR 312 Cb 1.42 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3gfg h THR 312 CO -0.74 0.15 0.37 0.22 0.37 0.00 0.00 175.52 175.90 3gfg h TYR 313 N 0.84 0.72 0.02 3.16 3.20 -1.31 -0.48 116.97 123.11 3gfg h TYR 313 Ca 0.39 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 62.06 3gfg h TYR 313 Cb 0.40 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3gfg h TYR 313 CO -0.00 0.46 -0.94 1.88 -1.64 0.00 0.00 178.16 177.91 3gfg h TYR 314 N 0.77 0.41 -0.05 -3.82 0.05 -1.30 -0.72 116.97 112.31 3gfg h TYR 314 Ca 0.21 -0.23 0.03 0.00 0.05 0.00 0.00 58.73 58.78 3gfg h TYR 314 Cb -0.08 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3gfg h TYR 314 CO -0.03 1.07 -0.12 0.00 -1.05 0.00 0.00 178.16 178.02 3gfg h ARG 315 N 0.14 -0.17 -0.73 4.88 3.08 -1.09 -1.40 114.38 119.09 3gfg h ARG 315 Ca -0.06 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.11 3gfg h ARG 315 Cb 1.59 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.60 3gfg h ARG 315 CO 0.15 -0.11 0.34 0.87 -1.07 0.00 0.00 179.97 180.15 3gfg h LYS 316 N -0.18 0.54 -0.18 0.04 6.56 -0.96 -2.26 116.57 120.13 3gfg h LYS 316 Ca 0.06 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.63 3gfg h LYS 316 Cb 0.26 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.78 3gfg h LYS 316 CO -0.16 0.35 0.07 0.82 -2.06 0.00 0.00 179.45 178.47 3gfg h ILE 317 N 0.55 0.97 -0.93 1.86 1.08 -0.54 -2.24 117.51 118.27 3gfg h ILE 317 Ca 0.37 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.79 3gfg h ILE 317 Cb 0.46 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3gfg h ILE 317 CO -0.31 0.03 0.57 0.00 -0.69 0.00 0.00 178.15 177.74 3gfg h ALA 318 N 1.10 1.25 -0.60 1.87 0.00 -0.79 -1.63 119.26 120.47 3gfg h ALA 318 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gfg h ALA 318 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3gfg h ALA 318 CO -0.07 0.65 0.22 0.93 0.00 0.00 0.00 179.25 180.97 3gfg h GLU 319 N 1.27 0.88 -0.35 0.00 5.08 -1.14 -1.42 114.58 118.90 3gfg h GLU 319 Ca 0.33 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 3gfg h GLU 319 Cb -0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3gfg h GLU 319 CO -0.06 0.74 -0.45 0.77 -1.00 0.00 0.00 179.01 179.01 3gfg h SER 320 N 0.86 0.99 0.32 1.42 0.02 -0.81 -0.82 113.55 115.54 3gfg h SER 320 Ca 0.20 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 3gfg h SER 320 Cb 0.20 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3gfg h SER 320 CO -0.01 1.28 -0.17 0.40 -1.14 0.00 0.00 176.83 177.19 3gfg h ILE 321 N 0.73 0.66 0.00 3.27 2.04 -0.69 0.87 117.51 124.39 3gfg h ILE 321 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3gfg h ILE 321 Cb 1.05 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3gfg h ILE 321 CO 0.11 0.00 -0.96 0.54 0.00 0.00 0.00 178.15 177.83 3gfg n ARG 322 N -5.29 0.26 0.00 2.37 5.12 -0.59 -4.49 116.66 114.04 3gfg n ARG 322 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3gfg n ARG 322 Cb 0.20 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gfg n GLU 323 N -1.93 2.39 -1.95 5.56 1.02 -0.33 -5.04 120.64 120.37 3gfg n GLU 323 Ca 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 3gfg n GLU 323 Cb 0.43 -0.75 -0.01 0.00 -0.02 0.00 0.00 31.44 31.08 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 324 N 1.55 0.25 3.82 0.62 0.00 0.30 -4.96 105.19 106.77 3gfg n GLY 324 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.34 2.59 0.27 4.61 0.00 -1.22 -4.95 121.76 120.72 3gfg s ALA 325 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 3gfg s ALA 325 Cb 0.00 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 3gfg s ALA 325 CO 0.00 -1.33 1.59 0.00 0.00 0.00 0.00 175.76 176.02 3gfg s ALA 326 N -3.06 3.76 0.60 0.00 0.00 -1.26 -4.32 121.76 117.48 3gfg s ALA 326 Ca 0.59 1.55 -0.19 0.00 0.00 0.00 0.00 51.96 53.91 3gfg s ALA 326 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3gfg s ALA 326 CO 0.55 -0.95 1.22 -0.51 0.00 0.00 0.00 175.76 176.07 3gfg s LEU 327 N -0.24 3.64 0.23 0.00 1.43 -1.26 -4.85 118.68 117.63 3gfg s LEU 327 Ca 0.64 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 56.14 3gfg s LEU 327 Cb -0.47 -4.60 0.24 0.00 0.03 0.00 0.00 46.19 41.38 3gfg s LEU 327 CO 0.45 -1.67 1.61 1.55 0.23 0.00 0.00 176.35 178.53 3gfg h PRO 328 N 0.80 0.58 -3.98 1.29 0.13 -1.88 -3.40 132.00 125.53 3gfg h PRO 328 Ca -0.50 -0.27 -0.48 0.00 -0.87 0.00 0.00 66.00 63.87 3gfg h PRO 328 Cb 1.30 -0.01 -0.37 0.00 0.13 0.00 0.00 31.00 32.05 3gfg h PRO 328 CO 0.55 0.85 -0.78 0.08 -0.23 0.00 0.00 178.00 178.47 3gfg s VAL 329 N -4.33 0.70 0.65 1.56 1.01 -1.26 -5.11 120.40 113.62 3gfg s VAL 329 Ca -0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3gfg s VAL 329 Cb 0.13 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3gfg s VAL 329 CO 0.82 0.31 0.98 0.42 0.00 0.00 0.00 175.10 177.63 3gfg s THR 330 N 1.80 3.36 0.24 3.92 -4.23 -1.26 -3.94 115.64 115.53 3gfg s THR 330 Ca 0.04 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 3gfg s THR 330 Cb -0.12 -3.38 0.12 0.00 1.34 0.00 0.00 72.50 70.45 3gfg s THR 330 CO -0.06 -0.43 1.75 0.00 -0.54 0.00 0.00 174.62 175.34 3gfg h ALA 331 N -0.40 1.07 -0.41 3.99 0.00 -1.94 -2.71 119.26 118.85 3gfg h ALA 331 Ca -0.45 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.26 3gfg h ALA 331 Cb 1.27 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3gfg h ALA 331 CO 0.62 0.60 0.14 1.49 0.00 0.00 0.00 179.25 182.10 3gfg h GLU 332 N 0.87 0.29 -0.96 0.00 4.57 -1.94 0.17 114.58 117.58 3gfg h GLU 332 Ca 0.18 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3gfg h GLU 332 Cb 0.40 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 3gfg h GLU 332 CO 0.01 0.19 0.59 0.93 -1.18 0.00 0.00 179.01 179.55 3gfg h GLU 333 N 0.30 1.29 -0.33 1.92 5.08 -1.93 -2.04 114.58 118.87 3gfg h GLU 333 Ca 0.19 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3gfg h GLU 333 Cb 0.18 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3gfg h GLU 333 CO -0.20 0.90 -0.17 0.78 -1.00 0.00 0.00 179.01 179.32 3gfg h GLY 334 N 1.32 0.76 1.31 -3.84 0.00 -1.06 -2.97 103.07 98.59 3gfg h GLY 334 Ca 0.34 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3gfg h GLY 334 CO -0.07 0.62 0.32 -2.22 0.00 0.00 0.00 176.54 175.20 3gfg h ILE 335 N 0.47 1.20 -0.38 2.60 2.04 -0.56 -2.97 117.51 119.91 3gfg h ILE 335 Ca 0.07 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3gfg h ILE 335 Cb 0.70 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3gfg h ILE 335 CO 0.05 0.24 0.05 0.78 0.00 0.00 0.00 178.15 179.26 3gfg h ASN 336 N 0.90 0.54 -0.31 1.72 2.35 -1.22 0.69 115.58 120.26 3gfg h ASN 336 Ca 0.23 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3gfg h ASN 336 Cb 0.07 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3gfg h ASN 336 CO -0.03 0.58 0.10 0.58 -1.65 0.00 0.00 177.43 177.01 3gfg h VAL 337 N 0.56 1.20 -0.94 2.81 2.07 -1.39 -1.14 116.25 119.43 3gfg h VAL 337 Ca 0.12 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3gfg h VAL 337 Cb 0.29 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3gfg h VAL 337 CO 0.00 0.22 0.61 0.40 0.02 0.00 0.00 177.57 178.83 3gfg h ILE 338 N 0.34 1.19 -0.81 4.57 1.08 -1.41 -0.76 117.51 121.71 3gfg h ILE 338 Ca 0.10 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 3gfg h ILE 338 Cb 0.24 -0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 33.80 3gfg h ILE 338 CO -0.00 0.22 0.50 0.03 -0.69 0.00 0.00 178.15 178.21 3gfg h ARG 339 N 1.22 0.91 -0.18 2.37 3.08 -0.41 0.11 114.38 121.47 3gfg h ARG 339 Ca 0.36 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3gfg h ARG 339 Cb -0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3gfg h ARG 339 CO -0.10 0.60 0.10 0.82 -1.07 0.00 0.00 179.97 180.32 3gfg h ILE 340 N 0.93 1.11 -0.60 2.04 1.08 -0.70 -1.98 117.51 119.40 3gfg h ILE 340 Ca 0.35 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3gfg h ILE 340 Cb 0.12 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3gfg h ILE 340 CO -0.15 0.10 0.39 0.40 -0.69 0.00 0.00 178.15 178.20 3gfg h ILE 341 N 0.18 1.13 -0.39 -0.67 2.04 -0.57 0.25 117.51 119.49 3gfg h ILE 341 Ca 0.06 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3gfg h ILE 341 Cb 0.08 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3gfg h ILE 341 CO -0.01 0.14 0.16 -0.33 0.00 0.00 0.00 178.15 178.12 3gfg h GLU 342 N 0.79 0.58 -0.50 2.37 5.08 -0.77 0.98 114.58 123.10 3gfg h GLU 342 Ca 0.22 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3gfg h GLU 342 Cb -0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3gfg h GLU 342 CO -0.06 0.54 0.14 0.00 -1.00 0.00 0.00 179.01 178.63 3gfg h ALA 343 N 1.01 0.66 -0.45 3.43 0.00 -1.05 0.15 119.26 123.00 3gfg h ALA 343 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gfg h ALA 343 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3gfg h ALA 343 CO -0.01 0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.76 3gfg h ALA 344 N 1.00 0.55 -0.30 0.00 0.00 -0.37 0.41 119.26 120.55 3gfg h ALA 344 Ca 0.16 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3gfg h ALA 344 Cb 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3gfg h ALA 344 CO -0.00 -0.19 -0.11 0.52 0.00 0.00 0.00 179.25 179.47 3gfg h MET 345 N 0.38 -0.06 -0.07 0.00 2.07 -0.45 -1.55 114.93 115.27 3gfg h MET 345 Ca 0.20 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.76 3gfg h MET 345 Cb 0.16 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 3gfg h MET 345 CO -0.18 -0.04 -0.32 1.49 1.07 0.00 0.00 176.91 178.94 3gfg h GLU 346 N -0.06 0.12 0.58 1.72 4.81 0.13 -1.53 114.58 120.36 3gfg h GLU 346 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3gfg h GLU 346 Cb 0.29 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3gfg h GLU 346 CO -0.34 0.43 -0.28 1.03 -0.73 0.00 0.00 179.01 179.12 3gfg h SER 347 N 0.11 -0.66 -0.79 1.04 0.87 0.18 -2.11 113.55 112.20 3gfg h SER 347 Ca 0.01 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3gfg h SER 347 Cb 0.62 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 3gfg h SER 347 CO 0.05 -0.36 0.47 -1.28 -0.53 0.00 0.00 176.83 175.17 3gfg h SER 348 N -0.95 0.72 -0.23 6.23 0.87 -1.02 0.59 113.55 119.76 3gfg h SER 348 Ca -0.08 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 3gfg h SER 348 Cb 0.65 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3gfg h SER 348 CO 0.13 0.45 -0.28 0.50 -0.53 0.00 0.00 176.83 177.10 3gfg h LYS 349 N 0.85 0.73 -0.14 2.24 3.64 -1.32 -3.20 116.57 119.36 3gfg h LYS 349 Ca 0.35 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3gfg h LYS 349 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gfg h LYS 349 CO -0.19 0.92 0.00 0.39 -2.27 0.00 0.00 179.45 178.31 3gfg n GLU 350 N -4.09 2.35 -4.23 1.90 1.02 -0.79 -4.99 120.64 111.81 3gfg n GLU 350 Ca -0.01 -2.03 -0.34 0.00 -0.02 0.00 0.00 57.16 54.76 3gfg n GLU 350 Cb 0.46 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 3gfg n GLU 350 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gfg n LYS 351 N 1.38 -0.96 -3.75 3.49 4.76 0.20 -4.98 118.16 118.30 3gfg n LYS 351 Ca 0.15 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.61 3gfg n LYS 351 Cb 0.60 -3.41 -0.06 0.00 -1.84 0.00 0.00 35.03 30.32 3gfg n LYS 351 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3gfg s ARG 352 N -7.32 0.95 0.10 1.97 1.70 -1.07 -5.04 118.95 110.24 3gfg s ARG 352 Ca 0.13 -0.84 -0.31 0.00 -0.47 0.00 0.00 55.73 54.24 3gfg s ARG 352 Cb -0.07 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 3gfg s ARG 352 CO 0.98 -0.34 1.27 0.99 -1.08 0.00 0.00 175.30 177.12 3gfg s THR 353 N -3.83 3.70 -0.21 4.99 2.01 -1.26 -4.46 115.64 116.58 3gfg s THR 353 Ca 0.04 1.25 -0.06 0.00 0.31 0.00 0.00 61.69 63.23 3gfg s THR 353 Cb 0.03 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3gfg s THR 353 CO -0.11 0.11 0.03 -0.63 -0.69 0.00 0.00 174.62 173.33 3gfg s ILE 354 N 0.89 4.18 0.29 1.82 -1.09 -0.39 -4.97 121.20 121.94 3gfg s ILE 354 Ca 0.60 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.71 3gfg s ILE 354 Cb -0.33 -2.91 -0.06 0.00 -1.58 0.00 0.00 42.46 37.58 3gfg s ILE 354 CO 0.31 0.40 0.59 -0.32 -1.23 0.00 0.00 174.94 174.69 3gfg s MET 355 N 1.13 3.72 -0.21 2.79 1.75 -1.26 -0.15 119.30 127.06 3gfg s MET 355 Ca 0.03 0.18 -0.09 0.00 -1.25 0.00 0.00 55.69 54.56 3gfg s MET 355 Cb -0.14 -2.60 -0.05 0.00 2.84 0.00 0.00 34.83 34.87 3gfg s MET 355 CO 0.02 0.21 0.12 -0.51 -0.65 0.00 0.00 175.02 174.22 3gfg s LEU 356 N -3.33 4.06 0.00 4.11 1.43 -0.52 -4.93 118.68 119.50 3gfg s LEU 356 Ca 0.46 0.14 0.26 0.00 -1.03 0.00 0.00 54.13 53.96 3gfg s LEU 356 Cb -0.11 -2.06 1.55 0.00 0.03 0.00 0.00 46.19 45.60 3gfg s LEU 356 CO 0.27 0.13 1.91 -1.84 0.23 0.00 0.00 176.35 177.04