#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfg n ARG 8 N 0.00 2.67 -4.27 1.61 1.74 -1.26 -5.00 116.66 112.14 3gfg n ARG 8 Ca 0.00 0.95 -0.19 0.00 -0.77 0.00 0.00 57.85 57.84 3gfg n ARG 8 Cb 0.00 -2.73 -0.08 0.00 -1.02 0.00 0.00 32.46 28.63 3gfg n ARG 8 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gfg s ARG 9 N -0.40 1.78 0.16 5.56 3.00 -1.26 -5.13 118.95 122.66 3gfg s ARG 9 Ca 0.65 -2.01 -0.33 0.00 0.00 0.00 0.00 55.73 54.03 3gfg s ARG 9 Cb -0.51 0.34 -0.15 0.00 0.00 0.00 0.00 34.95 34.62 3gfg s ARG 9 CO 0.48 -0.67 1.26 1.17 0.00 0.00 0.00 175.30 177.54 3gfg n LYS 10 N -0.63 1.34 -3.16 3.54 4.81 -1.26 -4.93 118.16 117.87 3gfg n LYS 10 Ca 0.07 0.48 -0.45 0.00 -0.87 0.00 0.00 58.31 57.54 3gfg n LYS 10 Cb 0.62 -2.04 -0.03 0.00 0.02 0.00 0.00 35.03 33.60 3gfg n LYS 10 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3gfg s VAL 11 N 0.03 5.11 0.67 3.15 -7.23 -1.26 -5.02 120.40 115.85 3gfg s VAL 11 Ca 0.75 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3gfg s VAL 11 Cb -0.83 -4.54 0.13 0.00 0.56 0.00 0.00 36.38 31.69 3gfg s VAL 11 CO 0.50 -1.17 0.92 -0.90 -0.31 0.00 0.00 175.10 174.15 3gfg n ASP 12 N 5.45 1.56 -4.77 4.85 5.68 -1.26 -5.06 116.55 123.00 3gfg n ASP 12 Ca 0.07 -2.24 -0.41 0.00 -0.50 0.00 0.00 54.79 51.71 3gfg n ASP 12 Cb 0.45 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.86 3gfg n ASP 12 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3gfg s THR 13 N -2.88 2.36 -0.02 2.12 -4.23 -1.26 -4.96 115.64 106.77 3gfg s THR 13 Ca 0.64 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 61.21 3gfg s THR 13 Cb -0.04 -3.23 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 3gfg s THR 13 CO 0.42 0.09 1.54 -0.63 -0.54 0.00 0.00 174.62 175.49 3gfg s ILE 14 N -1.14 3.57 -0.32 2.99 1.01 0.32 -4.77 121.20 122.87 3gfg s ILE 14 Ca 0.51 0.86 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 3gfg s ILE 14 Cb -0.43 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3gfg s ILE 14 CO 0.58 -0.04 0.70 -0.54 0.00 0.00 0.00 174.94 175.65 3gfg s LYS 15 N 3.16 3.89 -0.05 2.79 -0.14 -1.26 -0.65 119.74 127.48 3gfg s LYS 15 Ca 0.69 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 3gfg s LYS 15 Cb -0.33 -3.74 -0.03 0.00 -1.68 0.00 0.00 37.83 32.04 3gfg s LYS 15 CO 0.28 -0.65 -0.02 0.08 -0.76 0.00 0.00 175.35 174.28 3gfg s VAL 16 N 2.79 4.09 -0.10 3.17 1.01 0.91 -0.56 120.40 131.72 3gfg s VAL 16 Ca 0.28 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3gfg s VAL 16 Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 3gfg s VAL 16 CO 0.13 0.51 -0.16 -0.83 0.00 0.00 0.00 175.10 174.75 3gfg s GLY 17 N -1.14 1.49 -0.17 4.51 0.00 0.20 -1.40 107.32 110.80 3gfg s GLY 17 Ca 0.16 -0.94 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 3gfg s GLY 17 CO 0.05 -0.43 -0.06 -0.42 0.00 0.00 0.00 173.10 172.24 3gfg s ILE 18 N -0.03 3.51 -0.27 0.90 1.01 0.56 -0.36 121.20 126.52 3gfg s ILE 18 Ca -0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 3gfg s ILE 18 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3gfg s ILE 18 CO 0.04 0.48 0.45 -0.76 0.00 0.00 0.00 174.94 175.15 3gfg s LEU 19 N 0.73 4.05 0.00 2.97 1.43 0.92 -0.54 118.68 128.23 3gfg s LEU 19 Ca -0.03 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3gfg s LEU 19 Cb -0.15 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3gfg s LEU 19 CO 0.02 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3gfg n GLY 20 N 4.53 -0.55 2.72 -3.19 0.00 0.74 -0.68 105.19 108.75 3gfg n GLY 20 Ca -0.06 -1.40 -0.06 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 0.32 0.56 -0.42 1.61 9.36 -1.26 -4.43 117.16 122.90 3gfg n TYR 21 Ca 0.00 -2.44 0.00 0.00 3.32 0.00 0.00 57.90 58.78 3gfg n TYR 21 Cb 0.00 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 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 -0.37 1.52 0.43 2.98 0.00 -1.26 -4.53 105.19 103.96 3gfg n GLY 22 Ca 0.05 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.65 0.47 0.99 5.85 -1.97 -1.58 115.31 117.42 3gfg h LEU 23 Ca 0.00 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3gfg h LEU 23 Cb 0.00 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3gfg h LEU 23 CO 0.00 -0.40 -0.43 0.28 -0.34 0.00 0.00 178.44 177.55 3gfg h SER 24 N -0.38 -1.17 -0.03 1.25 0.02 -1.94 -1.21 113.55 110.10 3gfg h SER 24 Ca 0.10 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3gfg h SER 24 Cb 0.60 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3gfg h SER 24 CO -0.57 -0.60 0.02 1.23 -1.14 0.00 0.00 176.83 175.76 3gfg h GLY 25 N -0.91 0.04 1.82 -3.77 0.00 -1.75 -0.15 103.07 98.35 3gfg h GLY 25 Ca -0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 3gfg h GLY 25 CO -0.04 0.01 -0.85 1.48 0.00 0.00 0.00 176.54 177.14 3gfg h SER 26 N 0.02 0.00 0.00 0.19 4.64 -1.30 0.80 113.55 117.90 3gfg h SER 26 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3gfg h SER 26 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3gfg h SER 26 CO -0.00 0.72 -1.40 0.52 -0.87 0.00 0.00 176.83 175.79 3gfg n VAL 27 N -3.22 0.40 0.06 0.95 0.31 -0.47 -4.41 118.33 111.96 3gfg n VAL 27 Ca -0.01 -0.15 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 3gfg n VAL 27 Cb 0.84 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 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 -2.74 0.73 0.01 3.52 3.72 -0.17 -4.47 117.46 118.07 3gfg n PHE 28 Ca -0.13 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3gfg n PHE 28 Cb 0.63 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.61 -0.01 -0.24 1.38 8.25 -0.63 -4.65 115.22 116.71 3gfg n HIS 29 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3gfg n HIS 29 Cb 0.61 0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.89 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 0.91 1.57 -1.41 0.00 -1.06 0.19 103.07 103.27 3gfg h GLY 30 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3gfg h GLY 30 CO 0.00 -0.20 -0.46 -2.55 0.00 0.00 0.00 176.54 173.33 3gfg h PRO 31 N 0.22 0.47 0.81 4.80 0.11 -1.78 0.66 132.00 137.30 3gfg h PRO 31 Ca 0.39 -0.26 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3gfg h PRO 31 Cb 0.66 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.79 3gfg h PRO 31 CO -0.52 0.84 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.65 3gfg h LEU 32 N 0.38 -0.92 -0.90 2.35 3.38 -1.66 -2.93 115.31 115.01 3gfg h LEU 32 Ca 0.02 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.22 3gfg h LEU 32 Cb 0.96 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.83 3gfg h LEU 32 CO 0.08 -0.61 0.43 -0.07 0.09 0.00 0.00 178.44 178.37 3gfg h LEU 33 N -1.19 0.42 -1.45 1.67 3.38 -0.91 -2.02 115.31 115.20 3gfg h LEU 33 Ca -0.11 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gfg h LEU 33 Cb 0.85 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3gfg h LEU 33 CO 0.18 0.06 0.38 -0.78 0.09 0.00 0.00 178.44 178.37 3gfg h ASP 34 N 0.47 0.65 1.37 -0.43 3.58 -0.72 -2.59 116.42 118.75 3gfg h ASP 34 Ca 0.55 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.98 3gfg h ASP 34 Cb 0.98 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.87 3gfg h ASP 34 CO -0.48 0.47 -0.17 -0.37 -2.88 0.00 0.00 179.24 175.80 3gfg h VAL 35 N 0.76 0.00 -3.57 2.25 -1.51 -1.19 -3.43 116.25 109.56 3gfg h VAL 35 Ca 0.21 -0.54 -0.63 0.00 -1.23 0.00 0.00 66.70 64.51 3gfg h VAL 35 Cb -0.07 1.43 -0.13 0.00 -2.13 0.00 0.00 31.29 30.38 3gfg h VAL 35 CO -0.05 0.00 0.17 -0.76 -1.23 0.00 0.00 177.57 175.70 3gfg s LEU 36 N -4.63 4.28 0.57 4.19 1.43 -0.98 -4.95 118.68 118.59 3gfg s LEU 36 Ca 0.09 0.07 0.28 0.00 -1.03 0.00 0.00 54.13 53.55 3gfg s LEU 36 Cb 0.12 -2.80 1.48 0.00 0.03 0.00 0.00 46.19 45.01 3gfg s LEU 36 CO 0.64 -0.65 1.94 0.44 0.23 0.00 0.00 176.35 178.95 3gfg h ASP 37 N 8.55 0.00 0.24 2.29 3.45 -1.84 -2.04 116.42 127.07 3gfg h ASP 37 Ca -0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3gfg h ASP 37 Cb 1.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 3gfg h ASP 37 CO 0.86 0.00 0.00 -0.33 -1.57 0.00 0.00 179.24 178.20 3gfg h GLU 38 N 0.00 0.00 -6.75 3.56 3.07 -1.92 -3.45 114.58 109.10 3gfg h GLU 38 Ca 0.25 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.42 3gfg h GLU 38 Cb 1.15 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.83 3gfg h GLU 38 CO -0.00 0.00 -0.85 0.71 -1.40 0.00 0.00 179.01 177.46 3gfg s TYR 39 N -3.71 2.39 -0.03 4.33 2.02 -0.77 -0.52 117.35 121.06 3gfg s TYR 39 Ca -0.02 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3gfg s TYR 39 Cb 0.09 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3gfg s TYR 39 CO 0.33 0.24 -0.02 -1.14 -1.57 0.00 0.00 175.55 173.39 3gfg s GLN 40 N -1.60 0.54 -0.50 -0.62 0.74 0.18 -4.83 119.66 113.56 3gfg s GLN 40 Ca 0.14 -0.01 -0.21 0.00 0.05 0.00 0.00 55.36 55.33 3gfg s GLN 40 Cb -0.10 -0.63 0.05 0.00 1.10 0.00 0.00 33.01 33.43 3gfg s GLN 40 CO 0.05 -0.10 0.71 0.42 -0.55 0.00 0.00 175.29 175.82 3gfg s ILE 41 N 0.92 4.74 -0.07 -2.34 1.01 -1.26 -0.06 121.20 124.15 3gfg s ILE 41 Ca -0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3gfg s ILE 41 Cb -0.14 -4.34 -0.30 0.00 0.01 0.00 0.00 42.46 37.69 3gfg s ILE 41 CO -0.01 -0.85 0.62 0.28 0.00 0.00 0.00 174.94 174.98 3gfg h SER 42 N 9.05 0.56 -4.01 3.58 0.02 -1.59 -3.38 113.55 117.78 3gfg h SER 42 Ca -0.27 -0.93 -0.20 0.00 -0.84 0.00 0.00 61.79 59.55 3gfg h SER 42 Cb 1.09 -0.18 -0.26 0.00 0.14 0.00 0.00 62.40 63.19 3gfg h SER 42 CO 0.98 1.78 -0.64 -0.54 -1.14 0.00 0.00 176.83 177.27 3gfg s LYS 43 N -2.56 0.14 -0.14 3.45 1.02 -1.12 -0.29 119.74 120.24 3gfg s LYS 43 Ca -0.17 -0.04 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 3gfg s LYS 43 Cb 0.05 0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.47 3gfg s LYS 43 CO 0.83 -0.02 0.04 0.42 -0.92 0.00 0.00 175.35 175.70 3gfg s ILE 44 N -0.27 0.25 -0.49 2.17 1.01 -1.05 -0.32 121.20 122.50 3gfg s ILE 44 Ca -0.03 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 3gfg s ILE 44 Cb -0.02 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.78 3gfg s ILE 44 CO 0.00 -0.07 1.28 -0.32 0.00 0.00 0.00 174.94 175.83 3gfg s MET 45 N 2.00 3.56 -0.03 2.79 -2.45 0.30 -1.85 119.30 123.62 3gfg s MET 45 Ca 0.02 0.59 -0.30 0.00 -1.25 0.00 0.00 55.69 54.75 3gfg s MET 45 Cb -0.15 -4.00 0.11 0.00 1.25 0.00 0.00 34.83 32.04 3gfg s MET 45 CO -0.07 -1.60 1.09 -0.08 1.05 0.00 0.00 175.02 175.42 3gfg s THR 46 N 5.13 0.00 -1.36 10.11 -1.32 -0.70 -0.19 115.64 127.32 3gfg s THR 46 Ca 0.52 -0.20 0.12 0.00 -1.21 0.00 0.00 61.69 60.92 3gfg s THR 46 Cb -0.10 -1.45 0.17 0.00 -1.51 0.00 0.00 72.50 69.61 3gfg s THR 46 CO 0.30 0.00 1.00 -1.54 -2.21 0.00 0.00 174.62 172.17 3gfg n SER 47 N -0.31 2.30 -3.62 8.08 3.41 -1.26 -4.49 113.62 117.73 3gfg n SER 47 Ca -0.05 -1.65 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 3gfg n SER 47 Cb 0.61 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3gfg n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gfg n ARG 48 N 0.66 4.30 -0.27 4.33 1.74 -1.26 -4.80 116.66 121.36 3gfg n ARG 48 Ca 0.09 -3.55 0.06 0.00 -0.77 0.00 0.00 57.85 53.68 3gfg n ARG 48 Cb 0.34 -2.72 0.20 0.00 -1.02 0.00 0.00 32.46 29.27 3gfg n ARG 48 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gfg h THR 49 N 2.99 0.69 0.01 0.55 2.02 -2.00 -2.33 112.91 114.83 3gfg h THR 49 Ca 0.58 -0.18 -0.22 0.00 0.77 0.00 0.00 66.41 67.37 3gfg h THR 49 Cb 0.42 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3gfg h THR 49 CO 1.52 0.09 -0.93 -0.33 0.37 0.00 0.00 175.52 176.24 3gfg h GLU 50 N 0.52 0.31 -0.23 6.66 4.39 -1.99 -0.45 114.58 123.79 3gfg h GLU 50 Ca 0.44 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 3gfg h GLU 50 Cb 0.64 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3gfg h GLU 50 CO -0.39 1.05 -0.39 0.93 -1.16 0.00 0.00 179.01 179.06 3gfg h GLU 51 N 0.17 0.52 -0.18 2.33 5.08 -1.91 -2.23 114.58 118.36 3gfg h GLU 51 Ca -0.07 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3gfg h GLU 51 Cb 1.57 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 3gfg h GLU 51 CO 0.15 0.82 -0.14 0.28 -1.00 0.00 0.00 179.01 179.12 3gfg h VAL 52 N 0.43 1.33 -0.71 3.13 2.07 -1.18 -1.83 116.25 119.50 3gfg h VAL 52 Ca 0.04 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.40 3gfg h VAL 52 Cb 0.87 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 3gfg h VAL 52 CO 0.07 0.38 0.47 0.11 0.02 0.00 0.00 177.57 178.63 3gfg h LYS 53 N 0.07 0.48 0.32 1.57 1.79 -1.08 0.35 116.57 120.07 3gfg h LYS 53 Ca 0.03 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3gfg h LYS 53 Cb 0.67 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3gfg h LYS 53 CO 0.04 0.32 -0.15 -0.09 -1.08 0.00 0.00 179.45 178.48 3gfg h ARG 54 N 0.49 -0.42 -0.15 3.15 2.43 -1.28 -3.22 114.38 115.38 3gfg h ARG 54 Ca 0.34 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.36 3gfg h ARG 54 Cb 0.65 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3gfg h ARG 54 CO -0.11 -0.14 -0.59 -0.44 -1.51 0.00 0.00 179.97 177.17 3gfg h ASP 55 N -1.02 0.78 -2.57 -3.80 3.32 -1.14 -3.39 116.42 108.60 3gfg h ASP 55 Ca -0.04 -0.61 -0.60 0.00 0.02 0.00 0.00 57.03 55.79 3gfg h ASP 55 Cb 0.46 -0.23 -0.40 0.00 0.22 0.00 0.00 39.33 39.38 3gfg h ASP 55 CO 0.07 1.27 -0.77 0.49 -1.72 0.00 0.00 179.24 178.58 3gfg n PHE 56 N -4.11 1.61 0.17 4.55 3.72 0.12 -4.99 117.46 118.54 3gfg n PHE 56 Ca -0.07 -3.89 0.18 0.00 -0.05 0.00 0.00 57.45 53.62 3gfg n PHE 56 Cb 0.65 -0.31 0.72 0.00 -0.94 0.00 0.00 39.48 39.60 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 5.06 0.00 -0.37 -1.08 0.11 -1.69 -1.83 132.00 132.21 3gfg h PRO 57 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gfg h PRO 57 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gfg h PRO 57 CO 0.60 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3gfg n ASP 58 N -3.34 3.07 -4.78 -2.05 9.92 -1.26 -4.96 116.55 113.15 3gfg n ASP 58 Ca 0.05 -1.91 -0.39 0.00 -0.53 0.00 0.00 54.79 52.01 3gfg n ASP 58 Cb 0.60 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.78 3gfg n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gfg s ALA 59 N -1.10 3.53 0.03 2.24 0.00 -0.69 -4.92 121.76 120.85 3gfg s ALA 59 Ca 0.30 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3gfg s ALA 59 Cb 0.17 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3gfg s ALA 59 CO 0.22 0.26 0.98 -2.00 0.00 0.00 0.00 175.76 175.23 3gfg s GLU 60 N -0.57 4.60 0.02 0.00 2.12 0.60 -4.92 118.70 120.55 3gfg s GLU 60 Ca 0.30 1.44 -0.15 0.00 0.36 0.00 0.00 54.97 56.92 3gfg s GLU 60 Cb -0.19 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 3gfg s GLU 60 CO 0.18 0.02 0.44 0.08 -0.54 0.00 0.00 175.26 175.44 3gfg s VAL 61 N 0.72 4.98 0.12 3.70 1.01 -1.26 -2.52 120.40 127.14 3gfg s VAL 61 Ca 0.51 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.38 3gfg s VAL 61 Cb -0.22 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3gfg s VAL 61 CO 0.29 0.54 -0.07 0.68 0.00 0.00 0.00 175.10 176.54 3gfg s VAL 62 N -1.12 0.82 -0.03 2.92 -7.23 -0.77 -4.93 120.40 110.05 3gfg s VAL 62 Ca 0.26 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 3gfg s VAL 62 Cb -0.17 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3gfg s VAL 62 CO 0.15 -0.79 -0.00 1.41 -0.31 0.00 0.00 175.10 175.56 3gfg n HIS 63 N -0.11 0.00 -4.26 2.82 8.25 -1.26 -1.72 115.22 118.94 3gfg n HIS 63 Ca -0.11 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 3gfg n HIS 63 Cb 0.61 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 3gfg n HIS 63 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3gfg s GLU 64 N -2.07 2.40 0.22 -0.41 -1.05 -1.26 -4.83 118.70 111.70 3gfg s GLU 64 Ca -0.02 -1.35 0.03 0.00 -0.15 0.00 0.00 54.97 53.47 3gfg s GLU 64 Cb 0.01 -2.23 0.20 0.00 -0.44 0.00 0.00 34.13 31.67 3gfg s GLU 64 CO 0.10 0.37 1.53 1.25 0.95 0.00 0.00 175.26 179.47 3gfg h LEU 65 N 1.84 0.34 -2.29 1.83 5.85 -2.02 -3.15 115.31 117.71 3gfg h LEU 65 Ca -0.45 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.11 3gfg h LEU 65 Cb 1.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3gfg h LEU 65 CO 0.60 0.88 0.20 -0.33 -0.34 0.00 0.00 178.44 179.45 3gfg h GLU 66 N 0.22 0.00 0.00 1.25 3.07 -1.97 -1.74 114.58 115.41 3gfg h GLU 66 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3gfg h GLU 66 Cb 1.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3gfg h GLU 66 CO 0.10 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.64 3gfg h GLU 67 N 0.00 0.00 0.00 2.33 5.08 -1.95 0.16 114.58 120.20 3gfg h GLU 67 Ca 0.07 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.04 3gfg h GLU 67 Cb 0.47 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3gfg h GLU 67 CO -0.00 0.00 -2.33 -0.89 -1.00 0.00 0.00 179.01 174.79 3gfg n ILE 68 N -2.30 1.31 0.18 3.13 5.41 -0.71 -4.42 119.36 121.96 3gfg n ILE 68 Ca 0.03 -0.38 0.02 0.00 1.00 0.00 0.00 62.75 63.43 3gfg n ILE 68 Cb 0.32 -1.68 0.35 0.00 -0.71 0.00 0.00 39.64 37.91 3gfg n ILE 68 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3gfg h THR 69 N -0.63 1.27 -0.56 1.39 1.35 -1.35 -2.72 112.91 111.65 3gfg h THR 69 Ca -0.58 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3gfg h THR 69 Cb 1.60 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3gfg h THR 69 CO -0.29 0.37 0.00 0.59 -0.25 0.00 0.00 175.52 175.93 3gfg n ASN 70 N -4.10 3.38 -4.42 5.36 3.02 0.55 -4.81 115.26 114.24 3gfg n ASN 70 Ca -0.02 -2.13 -0.44 0.00 -0.03 0.00 0.00 54.58 51.96 3gfg n ASN 70 Cb 0.41 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.93 6.19 0.54 6.41 -1.08 -1.03 -4.96 116.67 121.82 3gfg s ASP 71 Ca 0.39 -1.08 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 3gfg s ASP 71 Cb 0.22 -2.25 1.42 0.00 -1.46 0.00 0.00 42.92 40.85 3gfg s ASP 71 CO 0.24 -0.79 2.02 1.55 0.52 0.00 0.00 175.17 178.71 3gfg h PRO 72 N 8.89 0.00 -0.18 4.34 0.13 -1.87 -2.61 132.00 140.70 3gfg h PRO 72 Ca -0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 3gfg h PRO 72 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3gfg h PRO 72 CO 0.93 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 178.26 3gfg h ALA 73 N 1.76 0.90 -2.48 -0.56 0.00 -1.94 -3.44 119.26 113.50 3gfg h ALA 73 Ca 0.20 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 3gfg h ALA 73 Cb 0.83 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.56 3gfg h ALA 73 CO -0.00 0.64 1.09 0.42 0.00 0.00 0.00 179.25 181.40 3gfg s ILE 74 N -4.14 2.70 -0.16 0.00 -1.09 -0.99 -4.65 121.20 112.87 3gfg s ILE 74 Ca -0.06 0.17 0.09 0.00 -2.23 0.00 0.00 60.65 58.61 3gfg s ILE 74 Cb 0.12 -3.11 -0.16 0.00 -1.58 0.00 0.00 42.46 37.74 3gfg s ILE 74 CO 0.81 -0.00 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.87 3gfg n GLU 75 N 5.79 1.19 -4.22 2.79 1.02 0.28 -4.89 120.64 122.60 3gfg n GLU 75 Ca 0.17 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 57.17 3gfg n GLU 75 Cb 0.39 -1.38 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 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 -5.45 1.78 -0.12 -4.62 2.96 -1.02 -1.73 118.68 110.47 3gfg s LEU 76 Ca -0.14 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3gfg s LEU 76 Cb 0.05 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.37 3gfg s LEU 76 CO 0.54 0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.69 3gfg s VAL 77 N 0.20 2.10 -0.34 1.68 1.01 -0.44 -0.63 120.40 123.99 3gfg s VAL 77 Ca -0.02 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 3gfg s VAL 77 Cb -0.07 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3gfg s VAL 77 CO -0.00 0.55 0.30 -0.63 0.00 0.00 0.00 175.10 175.32 3gfg s ILE 78 N 0.61 5.23 -0.66 2.22 -1.09 0.51 -1.34 121.20 126.67 3gfg s ILE 78 Ca -0.12 -0.07 -0.17 0.00 -2.23 0.00 0.00 60.65 58.06 3gfg s ILE 78 Cb -0.17 -3.76 0.13 0.00 -1.58 0.00 0.00 42.46 37.09 3gfg s ILE 78 CO 0.03 -0.04 0.71 -0.69 -1.23 0.00 0.00 174.94 173.72 3gfg s VAL 79 N 1.87 5.05 -0.23 2.92 1.01 -0.35 -0.06 120.40 130.61 3gfg s VAL 79 Ca 0.09 -1.45 0.15 0.00 0.00 0.00 0.00 61.98 60.77 3gfg s VAL 79 Cb -0.17 -4.48 0.38 0.00 0.00 0.00 0.00 36.38 32.11 3gfg s VAL 79 CO 0.11 -1.09 1.28 0.35 0.00 0.00 0.00 175.10 175.75 3gfg n THR 80 N 5.17 1.90 -1.16 3.92 -2.24 0.14 -2.32 114.28 119.69 3gfg n THR 80 Ca -0.03 -1.84 -0.30 0.00 -2.27 0.00 0.00 64.05 59.62 3gfg n THR 80 Cb 0.43 -0.10 0.15 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 -2.48 2.57 0.83 4.28 -4.23 -1.16 -4.75 115.64 110.69 3gfg s THR 81 Ca 0.33 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.90 3gfg s THR 81 Cb 0.27 -2.64 0.08 0.00 1.34 0.00 0.00 72.50 71.55 3gfg s THR 81 CO 0.07 -0.24 1.09 -2.65 -0.54 0.00 0.00 174.62 172.35 3gfg n PRO 82 N -3.96 0.04 -0.32 3.99 -0.02 -1.26 -4.77 135.00 128.71 3gfg n PRO 82 Ca 0.07 0.09 -0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3gfg n PRO 82 Cb 0.55 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3gfg n PRO 82 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3gfg n SER 83 N -3.11 -0.52 0.00 2.55 7.64 -1.26 -0.93 113.62 117.99 3gfg n SER 83 Ca 0.13 1.44 0.10 0.00 1.01 0.00 0.00 58.87 61.55 3gfg n SER 83 Cb 0.51 -0.34 0.53 0.00 -1.01 0.00 0.00 64.21 63.90 3gfg n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gfg n GLY 84 N -1.40 -1.00 0.19 0.23 0.00 -1.26 -2.50 105.19 99.45 3gfg n GLY 84 Ca 0.09 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.30 1.29 0.01 0.99 4.32 -0.10 -4.58 117.00 117.63 3gfg n LEU 85 Ca 0.10 -0.61 -0.10 0.00 -0.02 0.00 0.00 56.01 55.38 3gfg n LEU 85 Cb 0.17 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3gfg n LEU 85 CO 0.16 0.27 0.74 0.45 -1.22 0.00 0.00 177.39 177.80 3gfg h HIS 86 N 0.93 -0.47 0.55 -1.77 3.86 -1.45 -2.00 115.15 114.81 3gfg h HIS 86 Ca 0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3gfg h HIS 86 Cb 0.53 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 3gfg h HIS 86 CO 0.00 -0.26 -0.36 -0.92 0.86 0.00 0.00 177.93 177.26 3gfg h TYR 87 N -0.24 -0.95 0.14 2.45 3.20 -1.81 -1.82 116.97 117.95 3gfg h TYR 87 Ca 0.09 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3gfg h TYR 87 Cb 0.37 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 3gfg h TYR 87 CO -0.29 -0.54 -0.18 1.49 -1.64 0.00 0.00 178.16 177.01 3gfg h GLU 88 N -0.87 -0.35 -0.60 1.82 4.81 -1.83 -0.01 114.58 117.56 3gfg h GLU 88 Ca -0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3gfg h GLU 88 Cb 0.71 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3gfg h GLU 88 CO 0.06 -0.23 0.38 0.45 -0.73 0.00 0.00 179.01 178.94 3gfg h HIS 89 N -0.36 0.76 -0.42 0.92 3.86 -1.40 -1.64 115.15 116.87 3gfg h HIS 89 Ca 0.01 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.12 3gfg h HIS 89 Cb 0.36 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3gfg h HIS 89 CO -0.16 0.49 -0.20 1.15 0.86 0.00 0.00 177.93 180.08 3gfg h THR 90 N 0.81 1.28 -0.39 2.45 2.02 -1.14 -1.82 112.91 116.11 3gfg h THR 90 Ca 0.22 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 3gfg h THR 90 Cb -0.07 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3gfg h THR 90 CO -0.04 0.45 -0.05 -0.03 0.37 0.00 0.00 175.52 176.21 3gfg h MET 91 N 0.70 0.66 -0.50 6.66 -1.53 -0.78 -0.92 114.93 119.22 3gfg h MET 91 Ca 0.10 -0.18 -0.04 0.00 -3.44 0.00 0.00 59.70 56.14 3gfg h MET 91 Cb 0.76 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 3gfg h MET 91 CO 0.06 0.72 0.17 0.00 0.14 0.00 0.00 176.91 178.00 3gfg h ALA 92 N 1.33 0.65 -0.42 0.39 0.00 -1.16 -1.76 119.26 118.29 3gfg h ALA 92 Ca 0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3gfg h ALA 92 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gfg h ALA 92 CO 0.02 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.59 3gfg h ILE 94 N 0.56 0.98 -0.27 0.00 2.04 -1.17 -1.24 117.51 118.41 3gfg h ILE 94 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 3gfg h ILE 94 Cb 0.45 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3gfg h ILE 94 CO 0.02 0.00 0.39 1.56 0.00 0.00 0.00 178.15 180.12 3gfg h GLN 95 N -0.01 0.00 -0.61 2.37 1.08 -1.22 -0.45 115.11 116.27 3gfg h GLN 95 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3gfg h GLN 95 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3gfg h GLN 95 CO -0.01 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.87 3gfg n ALA 96 N -2.21 2.37 -2.43 3.87 0.00 -0.51 -4.96 120.51 116.64 3gfg n ALA 96 Ca 0.04 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.19 3gfg n ALA 96 Cb 0.53 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 1.51 0.19 3.74 0.00 0.00 -0.18 -5.01 105.19 105.44 3gfg n GLY 97 Ca 0.22 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.80 3.05 0.55 1.61 -0.14 -0.96 -5.01 119.74 114.04 3gfg s LYS 98 Ca 0.08 -0.40 -0.19 0.00 -1.36 0.00 0.00 55.97 54.09 3gfg s LYS 98 Cb -0.04 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.20 3gfg s LYS 98 CO 0.10 0.69 1.14 -1.01 -0.76 0.00 0.00 175.35 175.51 3gfg s HIS 99 N -1.00 2.65 -0.05 3.18 3.76 -0.70 -4.36 115.29 118.77 3gfg s HIS 99 Ca 0.16 1.54 0.02 0.00 -0.15 0.00 0.00 55.06 56.64 3gfg s HIS 99 Cb -0.12 -3.31 0.01 0.00 1.11 0.00 0.00 32.58 30.28 3gfg s HIS 99 CO 0.06 -1.63 -0.10 0.08 -0.85 0.00 0.00 174.74 172.30 3gfg s VAL 100 N -1.76 0.92 -0.26 -0.90 1.01 0.19 -1.32 120.40 118.27 3gfg s VAL 100 Ca 0.73 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 3gfg s VAL 100 Cb -0.24 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3gfg s VAL 100 CO 0.27 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 175.07 3gfg s VAL 101 N 0.52 4.33 -0.14 2.92 1.01 -0.45 -0.71 120.40 127.89 3gfg s VAL 101 Ca -0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 3gfg s VAL 101 Cb -0.13 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3gfg s VAL 101 CO 0.02 0.27 0.27 -0.04 0.00 0.00 0.00 175.10 175.62 3gfg s MET 102 N 1.61 4.11 0.52 2.72 1.00 0.48 -1.21 119.30 128.52 3gfg s MET 102 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 55.69 55.60 3gfg s MET 102 Cb -0.16 -3.37 -0.05 0.00 0.00 0.00 0.00 34.83 31.25 3gfg s MET 102 CO 0.04 0.37 1.32 -2.00 0.00 0.00 0.00 175.02 174.75 3gfg s GLU 103 N 0.09 3.29 0.67 2.03 2.56 -0.98 -0.25 118.70 126.11 3gfg s GLU 103 Ca 0.16 2.15 -0.11 0.00 0.00 0.00 0.00 54.97 57.17 3gfg s GLU 103 Cb -0.13 -2.30 -0.01 0.00 2.00 0.00 0.00 34.13 33.69 3gfg s GLU 103 CO 0.04 -1.04 1.05 -1.59 -0.56 0.00 0.00 175.26 173.16 3gfg s LYS 104 N -2.84 3.13 0.35 4.30 0.00 -1.26 -4.07 119.74 119.35 3gfg s LYS 104 Ca 0.69 0.85 -0.27 0.00 0.00 0.00 0.00 55.97 57.24 3gfg s LYS 104 Cb -0.38 -2.02 -0.09 0.00 0.00 0.00 0.00 37.83 35.34 3gfg s LYS 104 CO 0.45 -0.93 1.21 -1.25 0.00 0.00 0.00 175.35 174.83 3gfg s PRO 105 N -5.11 4.28 0.00 1.78 0.04 -1.26 -5.02 135.00 129.71 3gfg s PRO 105 Ca 0.57 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3gfg s PRO 105 Cb -0.13 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3gfg s PRO 105 CO 0.54 -0.17 0.90 -0.12 0.04 0.00 0.00 177.00 178.20 3gfg n MET 106 N 0.57 0.00 -4.15 4.56 1.56 -1.26 -4.86 117.12 113.55 3gfg n MET 106 Ca 0.02 0.83 -0.18 0.00 -0.27 0.00 0.00 57.70 58.09 3gfg n MET 106 Cb 0.44 -1.40 -0.06 0.00 2.15 0.00 0.00 33.22 34.36 3gfg n MET 106 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 3gfg n THR 107 N -2.46 0.00 -0.02 1.12 -2.24 -1.26 -4.77 114.28 104.65 3gfg n THR 107 Ca 0.00 -2.19 -0.16 0.00 -2.27 0.00 0.00 64.05 59.43 3gfg n THR 107 Cb 0.00 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.30 3gfg n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfg h ALA 108 N 2.06 0.07 -3.52 6.98 0.00 -1.89 -3.47 119.26 119.49 3gfg h ALA 108 Ca -0.25 -0.49 -0.66 0.00 0.00 0.00 0.00 54.91 53.51 3gfg h ALA 108 Cb 1.20 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3gfg h ALA 108 CO 0.35 0.19 -0.77 0.95 0.00 0.00 0.00 179.25 179.97 3gfg s THR 109 N -3.30 3.04 0.25 0.00 -4.23 -1.26 -4.88 115.64 105.26 3gfg s THR 109 Ca -0.15 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 3gfg s THR 109 Cb 0.02 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.68 3gfg s THR 109 CO 0.77 0.05 1.88 0.00 -0.54 0.00 0.00 174.62 176.79 3gfg h ALA 110 N 3.51 1.26 -0.83 3.99 0.00 -1.88 -2.60 119.26 122.72 3gfg h ALA 110 Ca -0.49 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.49 3gfg h ALA 110 Cb 1.18 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3gfg h ALA 110 CO 0.49 0.43 0.47 1.49 0.00 0.00 0.00 179.25 182.13 3gfg h GLU 111 N 1.13 0.75 -0.31 0.00 4.81 -1.97 0.69 114.58 119.69 3gfg h GLU 111 Ca 0.39 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3gfg h GLU 111 Cb 0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3gfg h GLU 111 CO -0.15 0.50 0.10 0.93 -0.73 0.00 0.00 179.01 179.67 3gfg h GLU 112 N 0.78 0.47 -0.33 1.92 5.08 -1.89 -2.95 114.58 117.65 3gfg h GLU 112 Ca 0.41 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 3gfg h GLU 112 Cb 0.40 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3gfg h GLU 112 CO -0.26 0.51 0.12 0.78 -1.00 0.00 0.00 179.01 179.15 3gfg h GLY 113 N 0.34 0.42 0.35 -3.84 0.00 -1.01 -2.79 103.07 96.53 3gfg h GLY 113 Ca 0.10 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.53 3gfg h GLY 113 CO -0.00 0.03 0.60 0.83 0.00 0.00 0.00 176.54 178.00 3gfg h GLU 114 N 0.26 0.66 -0.09 4.80 4.39 -0.88 -1.32 114.58 122.41 3gfg h GLU 114 Ca 0.15 -0.04 -0.21 0.00 0.34 0.00 0.00 59.36 59.60 3gfg h GLU 114 Cb 0.12 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3gfg h GLU 114 CO -0.15 0.44 -0.80 1.15 -1.16 0.00 0.00 179.01 178.49 3gfg h THR 115 N 0.68 1.34 -0.42 1.13 2.02 -1.33 0.33 112.91 116.67 3gfg h THR 115 Ca 0.50 -2.14 -0.09 0.00 0.77 0.00 0.00 66.41 65.45 3gfg h THR 115 Cb 0.86 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 3gfg h THR 115 CO -0.26 0.65 -0.09 -0.07 0.37 0.00 0.00 175.52 176.13 3gfg h LEU 116 N 0.37 0.80 -0.12 2.58 3.38 -1.23 -1.87 115.31 119.22 3gfg h LEU 116 Ca -0.05 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3gfg h LEU 116 Cb 1.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3gfg h LEU 116 CO 0.15 0.97 0.06 0.50 0.09 0.00 0.00 178.44 180.21 3gfg h LYS 117 N 0.61 0.17 -0.38 1.13 3.64 -1.17 -0.45 116.57 120.13 3gfg h LYS 117 Ca 0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3gfg h LYS 117 Cb 0.61 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3gfg h LYS 117 CO 0.04 0.23 0.08 -0.09 -2.27 0.00 0.00 179.45 177.44 3gfg h ARG 118 N 0.08 0.56 0.10 1.90 2.43 -0.86 -1.62 114.38 116.97 3gfg h ARG 118 Ca 0.04 -0.10 -0.28 0.00 -0.81 0.00 0.00 59.98 58.84 3gfg h ARG 118 Cb 0.11 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3gfg h ARG 118 CO -0.01 0.53 -1.19 0.00 -1.51 0.00 0.00 179.97 177.79 3gfg h ALA 119 N 1.55 0.11 -0.85 2.80 0.00 -1.29 -2.50 119.26 119.08 3gfg h ALA 119 Ca 0.13 -0.80 0.05 0.00 0.00 0.00 0.00 54.91 54.29 3gfg h ALA 119 Cb 0.22 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3gfg h ALA 119 CO -0.00 0.81 0.53 0.00 0.00 0.00 0.00 179.25 180.59 3gfg h ALA 120 N 0.49 1.16 -0.30 0.00 0.00 -0.64 -1.97 119.26 118.00 3gfg h ALA 120 Ca -0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3gfg h ALA 120 Cb 1.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3gfg h ALA 120 CO 0.21 0.30 -0.08 -0.44 0.00 0.00 0.00 179.25 179.24 3gfg h ASP 121 N 0.99 0.58 -0.26 0.00 3.32 -1.36 -0.79 116.42 118.90 3gfg h ASP 121 Ca 0.36 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3gfg h ASP 121 Cb 0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3gfg h ASP 121 CO -0.16 0.82 0.12 -0.33 -1.72 0.00 0.00 179.24 177.97 3gfg h GLU 122 N 0.34 0.24 0.00 3.56 4.39 -1.12 -2.82 114.58 119.17 3gfg h GLU 122 Ca 0.07 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 3gfg h GLU 122 Cb 0.57 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3gfg h GLU 122 CO 0.03 0.16 -0.36 -0.22 -1.16 0.00 0.00 179.01 177.47 3gfg h LYS 123 N 0.25 0.00 0.00 2.33 1.63 -1.39 -3.48 116.57 115.91 3gfg h LYS 123 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3gfg h LYS 123 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3gfg h LYS 123 CO -0.09 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 3gfg n GLY 124 N 0.50 1.40 3.61 5.01 0.00 -0.65 -5.01 105.19 110.05 3gfg n GLY 124 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 2.86 -0.01 1.61 -7.23 -0.40 -5.02 120.40 110.22 3gfg s VAL 125 Ca 0.00 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 57.91 3gfg s VAL 125 Cb 0.00 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 3gfg s VAL 125 CO 0.00 -0.29 0.70 -0.76 -0.31 0.00 0.00 175.10 174.44 3gfg s LEU 126 N -3.67 4.39 -0.17 1.32 1.43 -1.26 -4.47 118.68 116.25 3gfg s LEU 126 Ca 0.33 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 3gfg s LEU 126 Cb -0.03 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.11 3gfg s LEU 126 CO 0.19 -0.02 -0.20 -0.22 0.23 0.00 0.00 176.35 176.33 3gfg s LEU 127 N 0.26 2.08 0.14 1.79 2.96 -1.26 -0.64 118.68 124.01 3gfg s LEU 127 Ca 0.36 -0.62 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3gfg s LEU 127 Cb -0.19 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3gfg s LEU 127 CO 0.20 0.01 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.56 3gfg s SER 128 N 1.19 2.08 -0.09 3.68 0.15 0.11 -3.22 113.70 117.61 3gfg s SER 128 Ca 0.02 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 55.82 3gfg s SER 128 Cb -0.14 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 3gfg s SER 128 CO -0.10 -0.18 -0.22 -0.69 1.20 0.00 0.00 173.24 173.25 3gfg s VAL 129 N -2.52 2.29 -0.93 4.45 1.01 -1.25 -0.39 120.40 123.06 3gfg s VAL 129 Ca 0.13 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3gfg s VAL 129 Cb -0.03 -1.87 -0.11 0.00 0.00 0.00 0.00 36.38 34.37 3gfg s VAL 129 CO 0.03 0.56 2.02 0.00 0.00 0.00 0.00 175.10 177.71 3gfg n TYR 130 N 3.22 2.16 -2.42 5.22 9.36 0.66 -4.66 117.16 130.70 3gfg n TYR 130 Ca -0.18 -2.07 -0.42 0.00 3.32 0.00 0.00 57.90 58.54 3gfg n TYR 130 Cb 0.52 -1.88 0.00 0.00 -0.63 0.00 0.00 39.34 37.36 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 6.86 2.74 0.82 2.98 8.25 -1.26 -4.38 115.22 131.24 3gfg n HIS 131 Ca 0.50 -2.74 0.09 0.00 -0.26 0.00 0.00 57.72 55.31 3gfg n HIS 131 Cb 0.38 -1.78 0.44 0.00 1.12 0.00 0.00 29.99 30.15 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 3.04 0.00 0.08 0.41 6.94 -1.26 -2.97 115.26 121.50 3gfg n ASN 132 Ca 0.40 0.08 0.10 0.00 -0.02 0.00 0.00 54.58 55.14 3gfg n ASN 132 Cb 0.34 -0.31 0.43 0.00 -2.36 0.00 0.00 39.78 37.88 3gfg n ASN 132 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gfg n ARG 133 N -1.31 0.13 0.22 -3.83 3.00 -1.26 -0.63 116.66 112.97 3gfg n ARG 133 Ca 0.08 0.35 0.15 0.00 -0.01 0.00 0.00 57.85 58.42 3gfg n ARG 133 Cb 0.15 -1.74 0.77 0.00 0.00 0.00 0.00 32.46 31.64 3gfg n ARG 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gfg h ARG 134 N 0.00 0.00 -0.13 5.56 3.08 -1.88 -2.68 114.38 118.33 3gfg h ARG 134 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gfg h ARG 134 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3gfg h ARG 134 CO 0.00 0.00 -0.03 0.91 -1.07 0.00 0.00 179.97 179.78 3gfg n TRP 135 N -2.53 0.44 -2.11 3.04 8.01 0.19 -4.47 117.44 120.02 3gfg n TRP 135 Ca -0.01 -1.03 -0.37 0.00 -1.31 0.00 0.00 57.50 54.78 3gfg n TRP 135 Cb 0.08 -0.24 0.01 0.00 -2.01 0.00 0.00 31.31 29.14 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 -2.51 5.87 0.18 -0.99 1.11 -1.01 -0.52 116.67 118.79 3gfg s ASP 136 Ca 0.37 2.45 -0.12 0.00 0.18 0.00 0.00 52.55 55.43 3gfg s ASP 136 Cb 0.32 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.79 3gfg s ASP 136 CO 0.04 -1.14 1.76 -0.55 1.18 0.00 0.00 175.17 176.47 3gfg h ASN 137 N 1.83 0.81 0.03 0.27 7.08 -1.85 -0.41 115.58 123.34 3gfg h ASN 137 Ca -0.50 -0.13 -0.00 0.00 -3.08 0.00 0.00 56.30 52.59 3gfg h ASN 137 Cb 1.26 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 3gfg h ASN 137 CO 0.59 0.72 -0.02 -2.24 -2.08 0.00 0.00 177.43 174.40 3gfg h ASP 138 N 0.85 -0.04 -0.59 6.14 3.04 -1.94 -1.58 116.42 122.31 3gfg h ASP 138 Ca 0.21 -0.15 -0.02 0.00 -3.24 0.00 0.00 57.03 53.83 3gfg h ASP 138 Cb 0.12 0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 38.39 3gfg h ASP 138 CO -0.03 0.13 0.29 0.15 -2.04 0.00 0.00 179.24 177.74 3gfg h PHE 139 N -0.20 0.86 -0.30 4.15 3.57 -1.84 -0.24 116.94 122.95 3gfg h PHE 139 Ca -0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3gfg h PHE 139 Cb 0.18 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3gfg h PHE 139 CO -0.02 0.63 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.62 3gfg h LEU 140 N 0.87 0.42 -0.72 0.59 3.38 -0.97 -0.83 115.31 118.05 3gfg h LEU 140 Ca 0.21 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3gfg h LEU 140 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gfg h LEU 140 CO -0.03 0.49 -0.36 0.74 0.09 0.00 0.00 178.44 179.38 3gfg h THR 141 N 0.44 1.29 -0.13 0.22 2.02 -0.09 -1.56 112.91 115.10 3gfg h THR 141 Ca 0.10 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.75 3gfg h THR 141 Cb 0.30 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3gfg h THR 141 CO 0.01 0.47 -0.06 0.40 0.37 0.00 0.00 175.52 176.71 3gfg h ILE 142 N 0.48 1.31 -0.78 3.11 2.04 -0.58 -2.27 117.51 120.82 3gfg h ILE 142 Ca 0.05 -1.08 0.14 0.00 1.00 0.00 0.00 64.86 64.97 3gfg h ILE 142 Cb 0.84 1.76 -0.09 0.00 -0.74 0.00 0.00 36.82 38.59 3gfg h ILE 142 CO 0.07 0.31 0.36 0.11 0.00 0.00 0.00 178.15 179.00 3gfg h LYS 143 N -0.07 0.51 0.15 2.37 1.57 -1.04 0.32 116.57 120.37 3gfg h LYS 143 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gfg h LYS 143 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gfg h LYS 143 CO 0.02 0.34 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.95 3gfg h LYS 144 N 0.53 -0.19 -0.41 3.15 3.64 -1.22 0.23 116.57 122.29 3gfg h LYS 144 Ca 0.42 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.90 3gfg h LYS 144 Cb 0.59 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 3gfg h LYS 144 CO -0.37 0.05 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.64 3gfg h LEU 145 N -0.42 -0.54 0.10 5.20 3.38 -1.03 -0.93 115.31 121.07 3gfg h LEU 145 Ca -0.02 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gfg h LEU 145 Cb 0.33 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3gfg h LEU 145 CO 0.03 -0.19 -0.30 0.40 0.09 0.00 0.00 178.44 178.47 3gfg h ILE 146 N -0.07 0.35 0.00 1.22 2.04 -0.83 -0.47 117.51 119.75 3gfg h ILE 146 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 3gfg h ILE 146 Cb 0.37 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3gfg h ILE 146 CO -0.46 0.00 -0.09 0.77 0.00 0.00 0.00 178.15 178.37 3gfg h SER 147 N -0.51 0.00 -0.13 1.72 4.64 -0.19 -0.09 113.55 118.99 3gfg h SER 147 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gfg h SER 147 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3gfg h SER 147 CO -0.19 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.24 3gfg n GLU 148 N -3.83 1.79 -1.71 4.77 1.02 -0.43 -4.93 120.64 117.33 3gfg n GLU 148 Ca -0.02 -1.17 -0.04 0.00 -0.02 0.00 0.00 57.16 55.90 3gfg n GLU 148 Cb 0.19 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.18 0.39 0.04 0.62 0.00 -0.05 -4.92 105.19 102.44 3gfg n GLY 149 Ca 0.17 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 1.30 0.56 -3.10 1.61 7.64 -0.23 -4.22 113.62 117.19 3gfg n SER 150 Ca -0.04 0.05 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 3gfg n SER 150 Cb 0.38 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.83 2.75 -4.77 -3.43 4.77 -1.24 -4.78 117.00 108.46 3gfg n LEU 151 Ca 0.05 -5.34 -0.37 0.00 -0.03 0.00 0.00 56.01 50.32 3gfg n LEU 151 Cb 0.39 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3gfg n LEU 151 CO 0.35 2.28 0.80 -1.61 -1.33 0.00 0.00 177.39 177.88 3gfg s GLU 152 N -2.82 3.92 -1.15 3.23 0.41 -1.26 -4.27 118.70 116.75 3gfg s GLU 152 Ca 0.44 1.69 -0.13 0.00 -0.41 0.00 0.00 54.97 56.56 3gfg s GLU 152 Cb 0.29 -2.47 -0.02 0.00 -1.78 0.00 0.00 34.13 30.14 3gfg s GLU 152 CO -0.10 -0.39 0.80 -0.25 -0.49 0.00 0.00 175.26 174.82 3gfg n ASP 153 N -0.30 -4.75 -4.67 -0.19 8.00 -1.26 -2.09 116.55 111.29 3gfg n ASP 153 Ca 0.06 -0.90 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 3gfg n ASP 153 Cb 0.48 -3.96 -0.03 0.00 -0.02 0.00 0.00 41.12 37.59 3gfg n ASP 153 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3gfg n ILE 154 N -3.97 0.71 -0.08 0.53 5.41 -1.26 -3.41 119.36 117.29 3gfg n ILE 154 Ca -0.13 -0.13 -0.06 0.00 1.00 0.00 0.00 62.75 63.43 3gfg n ILE 154 Cb 0.62 -2.22 -0.16 0.00 -0.71 0.00 0.00 39.64 37.17 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 7.22 0.07 -3.81 4.38 0.23 0.18 -4.60 115.26 118.92 3gfg n ASN 155 Ca 0.20 0.03 -0.19 0.00 -0.53 0.00 0.00 54.58 54.10 3gfg n ASN 155 Cb 0.38 1.09 -0.17 0.00 -2.08 0.00 0.00 39.78 39.01 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 -2.69 0.26 -0.26 5.53 2.01 -1.04 -1.36 115.64 118.09 3gfg s THR 156 Ca -0.09 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3gfg s THR 156 Cb 0.08 -0.36 0.08 0.00 0.01 0.00 0.00 72.50 72.30 3gfg s THR 156 CO 0.84 0.18 0.05 -0.47 -0.69 0.00 0.00 174.62 174.53 3gfg s TYR 157 N 1.26 1.66 -0.15 4.92 5.04 -0.72 -1.03 117.35 128.32 3gfg s TYR 157 Ca -0.06 -1.48 -0.00 0.00 -2.44 0.00 0.00 57.07 53.08 3gfg s TYR 157 Cb -0.13 -1.49 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 3gfg s TYR 157 CO -0.02 -0.77 -0.13 -0.65 -1.34 0.00 0.00 175.55 172.64 3gfg s GLN 158 N 1.64 3.30 -0.08 4.97 -0.21 0.68 -0.17 119.66 129.79 3gfg s GLN 158 Ca 0.03 -0.71 0.01 0.00 0.02 0.00 0.00 55.36 54.72 3gfg s GLN 158 Cb -0.18 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.17 3gfg s GLN 158 CO -0.16 0.06 -0.10 0.08 -2.12 0.00 0.00 175.29 173.06 3gfg s VAL 159 N 0.73 1.01 -0.04 1.09 1.01 0.40 -0.40 120.40 124.20 3gfg s VAL 159 Ca -0.06 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3gfg s VAL 159 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3gfg s VAL 159 CO 0.01 0.34 -0.19 -0.94 0.00 0.00 0.00 175.10 174.32 3gfg s SER 160 N 1.03 3.62 -0.53 3.32 1.04 -0.36 -1.56 113.70 120.26 3gfg s SER 160 Ca -0.08 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.09 3gfg s SER 160 Cb -0.15 -0.66 0.19 0.00 0.10 0.00 0.00 66.02 65.51 3gfg s SER 160 CO -0.00 0.33 0.46 0.00 0.98 0.00 0.00 173.24 175.01 3gfg n TYR 161 N 2.39 0.99 -2.84 5.02 -0.00 0.51 -4.63 117.16 118.60 3gfg n TYR 161 Ca -0.17 -3.76 -0.19 0.00 -0.00 0.00 0.00 57.90 53.78 3gfg n TYR 161 Cb 0.52 -0.20 0.02 0.00 -0.00 0.00 0.00 39.34 39.68 3gfg n TYR 161 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3gfg s ASN 162 N -0.91 5.49 0.18 2.98 0.01 -1.26 -4.25 114.94 117.17 3gfg s ASN 162 Ca 0.32 -0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 52.15 3gfg s ASN 162 Cb 0.05 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.89 3gfg s ASN 162 CO -0.15 -0.93 0.44 0.00 -1.51 0.00 0.00 177.10 174.94 3gfg s ARG 163 N -4.56 1.27 -0.57 -0.60 1.70 -0.62 -4.95 118.95 110.62 3gfg s ARG 163 Ca 0.55 -0.92 -0.05 0.00 -0.47 0.00 0.00 55.73 54.84 3gfg s ARG 163 Cb -0.10 0.47 0.15 0.00 -0.57 0.00 0.00 34.95 34.90 3gfg s ARG 163 CO 0.36 -0.52 0.41 -0.47 -1.08 0.00 0.00 175.30 174.00 3gfg s TYR 164 N -3.89 3.49 -0.53 5.89 5.04 -1.25 -1.93 117.35 124.17 3gfg s TYR 164 Ca 0.10 -2.44 0.05 0.00 -2.44 0.00 0.00 57.07 52.35 3gfg s TYR 164 Cb 0.01 -3.32 0.19 0.00 0.35 0.00 0.00 41.96 39.19 3gfg s TYR 164 CO -0.04 -0.91 0.48 0.54 -1.34 0.00 0.00 175.55 174.28 3gfg n ARG 165 N 4.01 1.14 0.28 4.97 1.74 0.58 -4.97 116.66 124.41 3gfg n ARG 165 Ca 0.04 -3.82 0.19 0.00 -0.77 0.00 0.00 57.85 53.49 3gfg n ARG 165 Cb 0.40 -1.87 0.94 0.00 -1.02 0.00 0.00 32.46 30.91 3gfg n ARG 165 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gfg h PRO 166 N 5.07 0.00 -6.08 5.56 0.13 -1.94 -3.43 132.00 131.31 3gfg h PRO 166 Ca 0.19 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.68 3gfg h PRO 166 Cb 0.82 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 3gfg h PRO 166 CO 0.56 0.00 -0.57 -1.83 -0.23 0.00 0.00 178.00 175.93 3gfg s GLU 167 N -3.88 3.04 0.57 0.86 1.03 -1.26 -4.73 118.70 114.33 3gfg s GLU 167 Ca -0.02 -0.59 0.09 0.00 0.03 0.00 0.00 54.97 54.48 3gfg s GLU 167 Cb 0.11 -2.82 0.08 0.00 -0.80 0.00 0.00 34.13 30.69 3gfg s GLU 167 CO 0.41 0.60 0.70 0.08 -1.33 0.00 0.00 175.26 175.72 3gfg s VAL 168 N -1.36 2.01 0.00 1.83 1.01 -1.26 -5.17 120.40 117.45 3gfg s VAL 168 Ca 0.29 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3gfg s VAL 168 Cb -0.12 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3gfg s VAL 168 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.31 3gfg n ALA 179 N -2.13 0.00 -2.43 5.51 0.00 -1.26 -5.17 120.51 115.04 3gfg n ALA 179 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 3gfg n ALA 179 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3gfg n ALA 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gfg s THR 180 N 0.00 4.25 0.00 0.00 -4.23 -1.26 -4.79 115.64 109.61 3gfg s THR 180 Ca 0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3gfg s THR 180 Cb 0.00 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3gfg s THR 180 CO 0.00 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 3gfg n GLY 181 N -1.94 -2.45 0.18 3.99 0.00 -1.26 -4.50 105.19 99.21 3gfg n GLY 181 Ca -0.00 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 0.06 2.61 1.35 -1.49 -2.13 112.91 113.30 3gfg h THR 182 Ca 0.00 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3gfg h THR 182 Cb 0.00 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3gfg h THR 182 CO 0.00 0.00 -0.03 0.25 -0.25 0.00 0.00 175.52 175.49 3gfg h LEU 183 N 0.00 -0.06 -0.61 3.87 5.85 -1.83 0.31 115.31 122.83 3gfg h LEU 183 Ca 0.00 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3gfg h LEU 183 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3gfg h LEU 183 CO 0.00 0.30 0.22 1.88 -0.34 0.00 0.00 178.44 180.50 3gfg h TYR 184 N -0.44 0.96 0.01 1.25 -1.99 -1.78 -1.23 116.97 113.75 3gfg h TYR 184 Ca -0.01 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 3gfg h TYR 184 Cb 0.39 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.84 3gfg h TYR 184 CO 0.05 0.78 -0.00 0.22 -0.00 0.00 0.00 178.16 179.20 3gfg h ASP 185 N 0.86 -0.01 0.00 3.88 3.58 -1.30 -3.35 116.42 120.08 3gfg h ASP 185 Ca 0.20 -0.81 -0.39 0.00 0.42 0.00 0.00 57.03 56.45 3gfg h ASP 185 Cb 0.25 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 3gfg h ASP 185 CO -0.01 0.86 -2.41 0.18 -2.88 0.00 0.00 179.24 174.98 3gfg n LEU 186 N -4.67 2.58 -0.16 2.28 4.77 0.97 -4.56 117.00 118.22 3gfg n LEU 186 Ca -0.09 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3gfg n LEU 186 Cb 0.40 -0.82 0.36 0.00 -2.33 0.00 0.00 43.42 41.03 3gfg n LEU 186 CO 0.30 0.78 1.21 1.23 -1.33 0.00 0.00 177.39 179.58 3gfg h GLY 187 N 0.89 0.90 1.19 -0.72 0.00 -0.11 -2.67 103.07 102.54 3gfg h GLY 187 Ca -0.59 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 3gfg h GLY 187 CO -0.20 0.23 0.28 1.48 0.00 0.00 0.00 176.54 178.33 3gfg h SER 188 N 0.73 0.95 -0.45 0.19 4.64 -1.47 0.45 113.55 118.59 3gfg h SER 188 Ca 0.29 -0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.55 3gfg h SER 188 Cb 0.21 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 3gfg h SER 188 CO -0.09 0.85 0.08 0.45 -0.87 0.00 0.00 176.83 177.25 3gfg h HIS 189 N 1.02 0.12 0.00 4.77 3.86 -1.73 0.57 115.15 123.75 3gfg h HIS 189 Ca 0.24 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3gfg h HIS 189 Cb 0.19 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3gfg h HIS 189 CO 0.02 -0.01 -0.83 -0.84 0.86 0.00 0.00 177.93 177.13 3gfg h ILE 190 N 0.21 0.00 -0.07 2.45 3.07 -1.43 -2.35 117.51 119.38 3gfg h ILE 190 Ca 0.22 -0.91 -0.02 0.00 1.55 0.00 0.00 64.86 65.71 3gfg h ILE 190 Cb 0.29 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3gfg h ILE 190 CO -0.30 0.00 -0.04 0.40 -1.05 0.00 0.00 178.15 177.16 3gfg h ILE 191 N 0.00 1.33 -0.64 0.16 2.04 -0.01 -2.42 117.51 117.96 3gfg h ILE 191 Ca 0.00 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.84 3gfg h ILE 191 Cb 0.95 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 3gfg h ILE 191 CO 0.00 0.30 0.36 -0.78 0.00 0.00 0.00 178.15 178.03 3gfg h ASP 192 N -0.23 0.55 -0.89 1.72 3.58 -0.83 -0.84 116.42 119.48 3gfg h ASP 192 Ca 0.02 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3gfg h ASP 192 Cb 0.49 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 3gfg h ASP 192 CO 0.01 0.37 0.53 1.56 -2.88 0.00 0.00 179.24 178.83 3gfg h GLN 193 N 0.68 1.22 -0.18 0.28 4.20 -1.44 0.65 115.11 120.52 3gfg h GLN 193 Ca 0.28 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3gfg h GLN 193 Cb 0.14 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3gfg h GLN 193 CO -0.16 0.86 0.10 1.15 -0.67 0.00 0.00 178.83 180.11 3gfg h THR 194 N 1.23 1.11 -0.81 -0.54 2.02 -0.83 -2.02 112.91 113.06 3gfg h THR 194 Ca 0.32 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3gfg h THR 194 Cb -0.04 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3gfg h THR 194 CO -0.06 0.10 0.36 -0.07 0.37 0.00 0.00 175.52 176.23 3gfg h LEU 195 N 0.19 1.09 -0.46 2.58 3.38 -0.90 -0.35 115.31 120.83 3gfg h LEU 195 Ca 0.06 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3gfg h LEU 195 Cb 0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3gfg h LEU 195 CO -0.01 0.93 0.14 -0.74 0.09 0.00 0.00 178.44 178.86 3gfg h HIS 196 N 1.17 0.25 -0.02 1.13 2.76 -0.64 0.19 115.15 119.99 3gfg h HIS 196 Ca 0.28 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.28 3gfg h HIS 196 Cb 0.16 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3gfg h HIS 196 CO 0.02 0.08 -0.81 -0.07 -1.30 0.00 0.00 177.93 175.84 3gfg h LEU 197 N 0.31 0.28 -0.16 0.26 3.38 -1.03 -3.39 115.31 114.96 3gfg h LEU 197 Ca 0.22 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gfg h LEU 197 Cb 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gfg h LEU 197 CO -0.24 0.98 0.00 0.49 0.09 0.00 0.00 178.44 179.76 3gfg n PHE 198 N -3.72 0.00 -4.52 1.13 3.72 -0.17 -5.11 117.46 108.79 3gfg n PHE 198 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3gfg n PHE 198 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 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 0.48 -0.92 3.73 1.37 0.00 0.66 -4.87 105.19 105.64 3gfg n GLY 199 Ca 0.00 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 4.66 0.98 1.61 -1.94 -1.26 -4.54 119.30 118.82 3gfg s MET 200 Ca 0.00 1.51 -0.15 0.00 -1.71 0.00 0.00 55.69 55.34 3gfg s MET 200 Cb 0.00 -3.36 0.19 0.00 2.01 0.00 0.00 34.83 33.67 3gfg s MET 200 CO 0.00 0.16 1.23 -1.25 -0.01 0.00 0.00 175.02 175.14 3gfg s PRO 201 N 0.03 0.53 0.02 2.03 0.04 -1.26 -5.01 135.00 131.38 3gfg s PRO 201 Ca 0.48 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.40 3gfg s PRO 201 Cb -0.25 -1.81 -0.25 0.00 0.04 0.00 0.00 34.50 32.23 3gfg s PRO 201 CO 0.31 -2.53 0.91 0.87 0.04 0.00 0.00 177.00 176.60 3gfg h LYS 202 N -1.73 0.15 -3.12 4.56 1.57 -0.98 -3.45 116.57 113.57 3gfg h LYS 202 Ca -0.46 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.02 3gfg h LYS 202 Cb 1.28 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.55 3gfg h LYS 202 CO 0.45 0.98 0.03 0.00 -0.57 0.00 0.00 179.45 180.34 3gfg s ALA 203 N -2.63 -1.20 -0.08 3.86 0.00 -1.23 -0.65 121.76 119.83 3gfg s ALA 203 Ca -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 3gfg s ALA 203 Cb 0.08 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3gfg s ALA 203 CO 0.84 -0.63 -0.04 0.08 0.00 0.00 0.00 175.76 176.00 3gfg s VAL 204 N -3.40 0.67 -0.10 0.00 1.01 -0.39 -1.39 120.40 116.80 3gfg s VAL 204 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3gfg s VAL 204 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3gfg s VAL 204 CO -0.09 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.28 3gfg s THR 205 N 1.51 3.09 -0.06 3.92 2.01 0.04 -1.60 115.64 124.54 3gfg s THR 205 Ca -0.01 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 3gfg s THR 205 Cb -0.13 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.14 3gfg s THR 205 CO -0.04 0.55 0.39 0.00 -0.69 0.00 0.00 174.62 174.83 3gfg s ALA 206 N -0.04 -0.98 -0.18 7.40 0.00 -1.26 0.42 121.76 127.12 3gfg s ALA 206 Ca -0.03 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.65 3gfg s ALA 206 Cb -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3gfg s ALA 206 CO 0.04 -0.25 -0.18 1.21 0.00 0.00 0.00 175.76 176.57 3gfg s ASN 207 N -0.82 3.30 -0.13 0.00 2.47 -0.70 -3.17 114.94 115.89 3gfg s ASN 207 Ca -0.09 -0.61 -0.01 0.00 0.42 0.00 0.00 52.86 52.58 3gfg s ASN 207 Cb -0.04 -1.51 0.04 0.00 -1.45 0.00 0.00 41.25 38.28 3gfg s ASN 207 CO 0.04 0.01 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.70 3gfg s VAL 208 N 1.24 0.82 0.36 -5.21 1.01 -1.26 -0.32 120.40 117.04 3gfg s VAL 208 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3gfg s VAL 208 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.28 3gfg s VAL 208 CO -0.10 0.19 0.55 0.00 0.00 0.00 0.00 175.10 175.74 3gfg s MET 209 N 1.77 2.01 -0.39 2.72 0.23 -0.06 -4.96 119.30 120.63 3gfg s MET 209 Ca 0.03 -1.73 -0.03 0.00 -1.03 0.00 0.00 55.69 52.93 3gfg s MET 209 Cb -0.14 0.48 0.10 0.00 -1.53 0.00 0.00 34.83 33.74 3gfg s MET 209 CO -0.07 -0.86 0.17 0.00 -2.03 0.00 0.00 175.02 172.23 3gfg s ALA 210 N -2.82 3.11 0.04 3.16 0.00 -1.26 -1.66 121.76 122.33 3gfg s ALA 210 Ca 0.28 -2.36 -0.16 0.00 0.00 0.00 0.00 51.96 49.72 3gfg s ALA 210 Cb -0.01 -2.36 -0.25 0.00 0.00 0.00 0.00 23.12 20.50 3gfg s ALA 210 CO 0.19 -1.69 1.13 1.96 0.00 0.00 0.00 175.76 177.35 3gfg h GLN 211 N 8.08 0.58 -7.15 0.00 4.20 -1.89 -3.47 115.11 115.46 3gfg h GLN 211 Ca -0.15 -0.66 -0.54 0.00 0.06 0.00 0.00 58.65 57.36 3gfg h GLN 211 Cb 1.05 0.20 0.19 0.00 0.30 0.00 0.00 27.48 29.22 3gfg h GLN 211 CO 0.67 1.26 0.25 0.54 -0.67 0.00 0.00 178.83 180.89 3gfg n ARG 212 N -3.98 0.17 -2.05 1.46 1.74 -1.26 -4.98 116.66 107.76 3gfg n ARG 212 Ca -0.11 0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 3gfg n ARG 212 Cb 0.83 -2.38 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 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 -4.01 4.16 -1.50 5.56 2.12 -1.26 -3.21 118.70 120.55 3gfg s GLU 213 Ca 0.72 2.23 0.00 0.00 0.36 0.00 0.00 54.97 58.28 3gfg s GLU 213 Cb -0.29 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.17 3gfg s GLU 213 CO 0.52 -0.36 0.00 0.09 -0.54 0.00 0.00 175.26 174.97 3gfg n ASN 214 N 0.47 -4.04 -4.81 -1.70 4.13 -1.26 -4.88 115.26 103.17 3gfg n ASN 214 Ca 0.02 0.31 -0.33 0.00 1.68 0.00 0.00 54.58 56.26 3gfg n ASN 214 Cb 0.42 -3.64 -0.02 0.00 -1.54 0.00 0.00 39.78 35.00 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 -2.37 2.87 0.00 5.41 0.00 -1.20 -4.97 121.76 121.51 3gfg s ALA 215 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3gfg s ALA 215 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3gfg s ALA 215 CO 0.00 -0.42 0.46 0.39 0.00 0.00 0.00 175.76 176.18 3gfg n GLU 216 N -1.39 0.30 -4.12 0.00 1.02 -1.26 -5.01 120.64 110.19 3gfg n GLU 216 Ca 0.08 -0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 56.61 3gfg n GLU 216 Cb 0.53 -0.57 -0.10 0.00 -0.02 0.00 0.00 31.44 31.27 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 -0.11 0.52 0.12 2.62 -4.23 -1.26 -5.10 115.64 108.19 3gfg s THR 217 Ca 0.00 -1.68 -0.31 0.00 -1.18 0.00 0.00 61.69 58.52 3gfg s THR 217 Cb 0.00 -1.35 -0.10 0.00 1.34 0.00 0.00 72.50 72.39 3gfg s THR 217 CO 0.00 -0.79 1.75 -0.69 -0.54 0.00 0.00 174.62 174.35 3gfg s VAL 218 N -3.14 2.66 0.00 2.29 1.01 -1.26 -4.50 120.40 117.46 3gfg s VAL 218 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3gfg s VAL 218 Cb 0.02 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3gfg s VAL 218 CO -0.05 0.00 0.42 -0.90 0.00 0.00 0.00 175.10 174.57 3gfg n ASP 219 N 5.40 0.71 -3.74 3.32 5.68 -0.66 -1.14 116.55 126.12 3gfg n ASP 219 Ca 0.17 -1.16 -0.12 0.00 -0.50 0.00 0.00 54.79 53.18 3gfg n ASP 219 Cb 0.39 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.16 -0.36 -0.03 2.11 5.04 -0.76 -2.76 117.35 120.43 3gfg s TYR 220 Ca 0.00 0.84 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3gfg s TYR 220 Cb 0.00 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.41 3gfg s TYR 220 CO 0.00 -0.22 0.14 -0.59 -1.34 0.00 0.00 175.55 173.54 3gfg s PHE 221 N 0.97 -0.08 -0.23 4.97 -0.12 -0.47 -0.88 117.98 122.14 3gfg s PHE 221 Ca -0.07 0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 56.95 3gfg s PHE 221 Cb -0.08 0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.40 3gfg s PHE 221 CO -0.07 -0.16 0.11 -1.58 -0.05 0.00 0.00 175.22 173.48 3gfg s HIS 222 N -0.50 0.25 -0.14 3.49 2.46 0.56 -1.33 115.29 120.07 3gfg s HIS 222 Ca -0.06 -0.59 -0.05 0.00 0.47 0.00 0.00 55.06 54.83 3gfg s HIS 222 Cb -0.04 -0.79 -0.03 0.00 -0.13 0.00 0.00 32.58 31.59 3gfg s HIS 222 CO 0.01 -0.68 0.02 -0.51 -2.47 0.00 0.00 174.74 171.11 3gfg s LEU 223 N 2.12 3.62 -0.22 8.88 1.02 0.13 -1.72 118.68 132.52 3gfg s LEU 223 Ca 0.06 0.06 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 3gfg s LEU 223 Cb -0.16 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 3gfg s LEU 223 CO -0.23 0.25 0.01 -0.89 0.02 0.00 0.00 176.35 175.50 3gfg s THR 224 N -0.08 3.89 -0.25 5.49 2.01 0.17 -1.15 115.64 125.71 3gfg s THR 224 Ca 0.05 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 3gfg s THR 224 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 3gfg s THR 224 CO 0.02 0.40 0.19 -0.76 -0.69 0.00 0.00 174.62 173.78 3gfg s LEU 225 N 1.31 4.09 -0.30 4.42 1.02 -0.12 -0.78 118.68 128.32 3gfg s LEU 225 Ca 0.04 0.12 -0.13 0.00 0.02 0.00 0.00 54.13 54.18 3gfg s LEU 225 Cb -0.15 -2.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.88 3gfg s LEU 225 CO 0.01 0.02 0.27 -0.62 0.02 0.00 0.00 176.35 176.05 3gfg s ASP 226 N 1.25 6.11 -0.08 2.29 2.15 -0.48 -1.23 116.67 126.67 3gfg s ASP 226 Ca 0.09 -0.08 0.12 0.00 0.43 0.00 0.00 52.55 53.10 3gfg s ASP 226 Cb -0.14 -2.16 0.26 0.00 -0.30 0.00 0.00 42.92 40.57 3gfg s ASP 226 CO 0.07 -0.18 1.18 -1.22 -0.17 0.00 0.00 175.17 174.84 3gfg n TYR 227 N 5.19 0.25 0.00 -5.34 4.01 -0.24 -0.23 117.16 120.81 3gfg n TYR 227 Ca -0.12 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 3gfg n TYR 227 Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.70 0.93 0.38 2.72 0.00 -1.26 -4.04 105.19 103.22 3gfg n GLY 228 Ca 0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 1.31 -6.30 1.61 3.64 -1.98 -3.42 116.57 111.44 3gfg h LYS 229 Ca 0.00 -0.08 -0.54 0.00 -1.27 0.00 0.00 60.65 58.76 3gfg h LYS 229 Cb 0.00 -0.30 -0.03 0.00 -0.41 0.00 0.00 32.23 31.49 3gfg h LYS 229 CO 0.00 0.87 0.27 -1.17 -2.27 0.00 0.00 179.45 177.15 3gfg s LEU 230 N -10.12 4.37 -0.16 5.20 2.96 -1.26 -4.80 118.68 114.87 3gfg s LEU 230 Ca -0.13 1.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 3gfg s LEU 230 Cb 0.18 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 43.49 3gfg s LEU 230 CO 0.82 -0.18 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.38 3gfg s GLN 231 N 0.80 2.76 -0.20 1.98 -1.52 -0.47 -1.07 119.66 121.94 3gfg s GLN 231 Ca 0.46 -0.74 -0.06 0.00 -1.95 0.00 0.00 55.36 53.07 3gfg s GLN 231 Cb -0.20 -2.38 -0.03 0.00 -0.22 0.00 0.00 33.01 30.17 3gfg s GLN 231 CO 0.25 -0.18 0.04 0.00 -0.25 0.00 0.00 175.29 175.15 3gfg s ALA 232 N 1.25 3.19 -0.20 6.09 0.00 -0.36 -1.75 121.76 129.98 3gfg s ALA 232 Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3gfg s ALA 232 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3gfg s ALA 232 CO -0.10 -0.08 -0.11 0.42 0.00 0.00 0.00 175.76 175.89 3gfg s ILE 233 N 0.87 2.84 -0.18 0.00 -1.09 0.76 -0.94 121.20 123.47 3gfg s ILE 233 Ca 0.02 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3gfg s ILE 233 Cb -0.14 -2.26 0.02 0.00 -1.58 0.00 0.00 42.46 38.51 3gfg s ILE 233 CO 0.02 0.47 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.27 3gfg s LEU 234 N 1.37 2.13 0.10 2.97 1.43 -0.30 -0.45 118.68 125.92 3gfg s LEU 234 Ca 0.05 -0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3gfg s LEU 234 Cb -0.14 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 3gfg s LEU 234 CO -0.07 -0.03 0.21 -0.72 0.23 0.00 0.00 176.35 175.97 3gfg s TYR 235 N 1.32 0.16 -0.21 0.29 -0.85 -0.60 0.23 117.35 117.68 3gfg s TYR 235 Ca 0.04 -0.57 -0.27 0.00 -0.52 0.00 0.00 57.07 55.74 3gfg s TYR 235 Cb -0.14 -0.04 0.11 0.00 0.38 0.00 0.00 41.96 42.27 3gfg s TYR 235 CO -0.12 -0.57 0.91 0.20 -1.52 0.00 0.00 175.55 174.45 3gfg s GLY 236 N -2.87 -0.32 0.33 5.49 0.00 -0.44 -0.36 107.32 109.15 3gfg s GLY 236 Ca 0.06 2.17 0.04 0.00 0.00 0.00 0.00 44.72 46.99 3gfg s GLY 236 CO -0.10 1.46 0.06 -0.32 0.00 0.00 0.00 173.10 174.20 3gfg s GLY 237 N -0.33 2.11 0.00 0.20 0.00 -1.26 -1.37 107.32 106.67 3gfg s GLY 237 Ca -0.01 -2.02 0.11 0.00 0.00 0.00 0.00 44.72 42.80 3gfg s GLY 237 CO -0.00 -1.82 0.66 1.44 0.00 0.00 0.00 173.10 173.38 3gfg n SER 238 N -0.72 1.28 -3.27 1.64 7.64 -1.11 -1.59 113.62 117.48 3gfg n SER 238 Ca -0.03 -1.14 -0.30 0.00 1.01 0.00 0.00 58.87 58.41 3gfg n SER 238 Cb 0.67 0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 64.28 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 -0.21 3.49 -3.91 0.44 5.41 -1.22 -0.31 119.36 123.05 3gfg n ILE 239 Ca 0.04 -5.57 -0.30 0.00 1.00 0.00 0.00 62.75 57.92 3gfg n ILE 239 Cb 0.23 -1.69 -0.14 0.00 -0.71 0.00 0.00 39.64 37.33 3gfg n ILE 239 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gfg s VAL 240 N -3.72 2.18 0.26 1.39 1.01 -0.81 -5.00 120.40 115.71 3gfg s VAL 240 Ca 0.43 -2.79 -0.02 0.00 0.00 0.00 0.00 61.98 59.60 3gfg s VAL 240 Cb 0.21 -2.55 0.25 0.00 0.00 0.00 0.00 36.38 34.29 3gfg s VAL 240 CO -0.08 -0.75 1.70 -0.65 0.00 0.00 0.00 175.10 175.32 3gfg h PRO 241 N 6.95 0.35 -4.52 2.72 0.11 -1.94 -3.31 132.00 132.36 3gfg h PRO 241 Ca -0.06 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.69 3gfg h PRO 241 Cb 0.94 -0.08 -0.27 0.00 0.11 0.00 0.00 31.00 31.71 3gfg h PRO 241 CO 0.59 0.23 -0.76 0.00 -0.21 0.00 0.00 178.00 177.86 3gfg s ALA 242 N -5.99 0.58 0.01 -0.75 0.00 -1.26 -4.94 121.76 109.42 3gfg s ALA 242 Ca -0.12 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 3gfg s ALA 242 Cb 0.22 -0.10 -0.22 0.00 0.00 0.00 0.00 23.12 23.02 3gfg s ALA 242 CO 0.77 0.10 1.13 -0.91 0.00 0.00 0.00 175.76 176.84 3gfg h ASN 243 N 5.57 0.56 -3.90 0.00 2.35 -1.98 -3.51 115.58 114.68 3gfg h ASN 243 Ca -0.31 -0.74 0.07 0.00 -0.55 0.00 0.00 56.30 54.77 3gfg h ASN 243 Cb 1.19 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 3gfg h ASN 243 CO 0.47 1.22 -0.18 0.61 -1.65 0.00 0.00 177.43 177.91 3gfg n GLY 244 N 1.00 -2.11 3.71 2.83 0.00 -1.26 -4.89 105.19 104.47 3gfg n GLY 244 Ca -0.10 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3gfg n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gfg n PRO 245 N -2.83 1.82 0.09 1.61 -0.04 -1.26 -4.78 135.00 129.60 3gfg n PRO 245 Ca -0.01 0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 63.99 3gfg n PRO 245 Cb 0.13 -2.43 -0.11 0.00 -0.04 0.00 0.00 33.50 31.05 3gfg n PRO 245 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gfg h ARG 246 N 1.83 0.17 -4.72 0.54 2.43 0.34 -3.39 114.38 111.57 3gfg h ARG 246 Ca -0.49 -0.26 -0.56 0.00 -0.81 0.00 0.00 59.98 57.86 3gfg h ARG 246 Cb 1.30 0.09 -0.34 0.00 -0.42 0.00 0.00 29.97 30.60 3gfg h ARG 246 CO 0.59 1.09 -0.83 0.71 -1.51 0.00 0.00 179.97 180.02 3gfg s TYR 247 N -2.79 1.79 -0.17 2.20 2.02 -0.76 -1.22 117.35 118.42 3gfg s TYR 247 Ca -0.02 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 3gfg s TYR 247 Cb 0.09 -1.28 0.04 0.00 -0.40 0.00 0.00 41.96 40.40 3gfg s TYR 247 CO 0.85 -0.37 -0.08 -0.65 -1.57 0.00 0.00 175.55 173.74 3gfg s GLN 248 N 0.74 1.73 -0.13 -0.62 -0.21 0.46 -1.57 119.66 120.07 3gfg s GLN 248 Ca -0.12 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.64 3gfg s GLN 248 Cb -0.16 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.72 3gfg s GLN 248 CO 0.03 -0.40 -0.15 0.42 -2.12 0.00 0.00 175.29 173.06 3gfg s ILE 249 N 1.54 1.59 -0.07 1.08 1.01 -0.22 -0.23 121.20 125.89 3gfg s ILE 249 Ca 0.01 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.04 3gfg s ILE 249 Cb -0.15 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3gfg s ILE 249 CO -0.08 0.46 -0.23 -1.00 0.00 0.00 0.00 174.94 174.09 3gfg s HIS 250 N 1.19 2.50 0.00 3.97 3.76 -0.20 -0.45 115.29 126.06 3gfg s HIS 250 Ca -0.02 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 3gfg s HIS 250 Cb -0.14 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.92 3gfg s HIS 250 CO -0.06 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.04 3gfg n GLY 251 N 3.00 4.32 0.25 -2.22 0.00 0.51 -0.65 105.19 110.39 3gfg n GLY 251 Ca -0.18 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 0.09 0.00 1.61 2.10 -1.44 -3.31 116.57 115.63 3gfg h LYS 252 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3gfg h LYS 252 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3gfg h LYS 252 CO 0.00 0.17 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 3gfg n ASP 253 N -4.40 0.29 -3.80 7.07 9.92 -1.26 -5.02 116.55 119.34 3gfg n ASP 253 Ca -0.02 -0.80 -0.11 0.00 -0.53 0.00 0.00 54.79 53.33 3gfg n ASP 253 Cb 0.18 0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 3gfg n ASP 253 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3gfg s SER 254 N -0.10 -0.06 0.12 -2.24 1.04 -1.25 -0.47 113.70 110.74 3gfg s SER 254 Ca 0.00 -0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.31 3gfg s SER 254 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3gfg s SER 254 CO 0.00 -0.54 -0.21 -0.44 0.98 0.00 0.00 173.24 173.03 3gfg s SER 255 N -1.87 2.65 -0.11 7.02 0.01 -0.28 -0.36 113.70 120.75 3gfg s SER 255 Ca -0.08 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.46 3gfg s SER 255 Cb -0.02 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.07 3gfg s SER 255 CO -0.02 0.05 -0.14 0.12 0.41 0.00 0.00 173.24 173.67 3gfg s PHE 256 N -1.35 1.90 -0.11 2.43 5.36 0.41 -0.30 117.98 126.31 3gfg s PHE 256 Ca 0.09 -0.93 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 3gfg s PHE 256 Cb -0.09 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.20 3gfg s PHE 256 CO 0.05 -0.51 -0.15 0.42 -1.46 0.00 0.00 175.22 173.57 3gfg s ILE 257 N 1.17 1.52 -0.01 3.12 1.01 -0.29 -1.06 121.20 126.67 3gfg s ILE 257 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3gfg s ILE 257 Cb -0.14 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3gfg s ILE 257 CO -0.04 0.45 0.03 -0.75 0.00 0.00 0.00 174.94 174.62 3gfg s LYS 258 N 0.98 0.08 0.29 2.79 2.20 -0.61 -1.20 119.74 124.28 3gfg s LYS 258 Ca -0.07 -0.03 0.08 0.00 -0.36 0.00 0.00 55.97 55.59 3gfg s LYS 258 Cb -0.15 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 3gfg s LYS 258 CO -0.02 -0.01 0.18 0.71 -0.36 0.00 0.00 175.35 175.85 3gfg s TYR 259 N -0.17 2.91 0.00 4.03 2.02 -1.26 0.97 117.35 125.84 3gfg s TYR 259 Ca -0.02 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 3gfg s TYR 259 Cb -0.01 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 3gfg s TYR 259 CO -0.00 0.42 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 3gfg n GLY 260 N -1.17 1.22 3.22 0.71 0.00 -1.26 -4.79 105.19 103.12 3gfg n GLY 260 Ca -0.05 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.67 1.45 0.27 -0.61 2.07 -1.26 -4.79 121.20 116.66 3gfg s ILE 261 Ca 0.00 -1.27 -0.31 0.00 -1.41 0.00 0.00 60.65 57.66 3gfg s ILE 261 Cb 0.00 -1.31 -0.12 0.00 0.13 0.00 0.00 42.46 41.16 3gfg s ILE 261 CO 0.00 0.00 1.53 -0.67 -1.91 0.00 0.00 174.94 173.89 3gfg n ASP 262 N 1.53 3.44 -1.58 4.50 2.03 -1.26 -4.92 116.55 120.28 3gfg n ASP 262 Ca -0.19 1.14 0.10 0.00 0.52 0.00 0.00 54.79 56.36 3gfg n ASP 262 Cb 0.54 -1.53 0.36 0.00 -0.72 0.00 0.00 41.12 39.77 3gfg n ASP 262 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gfg n GLY 263 N 2.29 2.76 0.15 0.27 0.00 -1.26 -4.52 105.19 104.88 3gfg n GLY 263 Ca 0.10 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3gfg n GLY 263 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gfg h GLN 264 N 4.10 0.42 -0.54 1.61 4.20 -1.93 -2.07 115.11 120.88 3gfg h GLN 264 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gfg h GLN 264 Cb 1.44 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 3gfg h GLN 264 CO 0.23 0.46 0.35 0.93 -0.67 0.00 0.00 178.83 180.12 3gfg h GLU 265 N 0.29 0.72 -0.36 1.46 5.08 -1.99 0.13 114.58 119.91 3gfg h GLU 265 Ca 0.09 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3gfg h GLU 265 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3gfg h GLU 265 CO -0.01 0.48 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.64 3gfg h ASP 266 N 0.74 0.97 -0.55 1.42 3.32 -1.84 -0.20 116.42 120.27 3gfg h ASP 266 Ca 0.20 -0.45 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 3gfg h ASP 266 Cb -0.07 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 3gfg h ASP 266 CO -0.04 1.24 -0.03 0.00 -1.72 0.00 0.00 179.24 178.69 3gfg h ALA 267 N 0.80 0.75 -0.82 3.45 0.00 -0.71 -0.95 119.26 121.77 3gfg h ALA 267 Ca 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gfg h ALA 267 Cb 1.00 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3gfg h ALA 267 CO 0.10 0.61 0.53 -0.07 0.00 0.00 0.00 179.25 180.41 3gfg h LEU 268 N 0.88 0.88 -1.19 0.00 3.38 -0.66 -0.84 115.31 117.76 3gfg h LEU 268 Ca 0.15 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3gfg h LEU 268 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3gfg h LEU 268 CO 0.03 0.61 -0.19 0.03 0.09 0.00 0.00 178.44 179.02 3gfg h ARG 269 N 1.03 0.33 0.00 1.13 3.08 -0.70 -1.58 114.38 117.67 3gfg h ARG 269 Ca 0.33 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3gfg h ARG 269 Cb -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3gfg h ARG 269 CO -0.11 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 3gfg n ALA 270 N -2.48 2.19 -0.66 0.04 0.00 -0.39 -4.88 120.51 114.33 3gfg n ALA 270 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3gfg n ALA 270 Cb 0.33 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.62 0.68 3.87 0.00 0.00 -0.59 -5.07 105.19 104.70 3gfg n GLY 271 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.34 3.71 0.06 1.61 0.52 -0.35 -5.01 118.95 119.15 3gfg s ARG 272 Ca 0.00 0.66 0.04 0.00 -0.52 0.00 0.00 55.73 55.91 3gfg s ARG 272 Cb 0.00 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 3gfg s ARG 272 CO 0.00 -0.34 -0.12 0.15 0.02 0.00 0.00 175.30 175.01 3gfg s LYS 273 N -4.60 0.72 0.02 3.54 1.02 -1.26 -4.13 119.74 115.06 3gfg s LYS 273 Ca 0.54 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 3gfg s LYS 273 Cb -0.10 -0.65 -0.08 0.00 -0.52 0.00 0.00 37.83 36.47 3gfg s LYS 273 CO 0.43 0.14 1.93 -2.14 -0.92 0.00 0.00 175.35 174.79 3gfg s PRO 274 N -1.59 4.13 0.00 -1.68 0.02 -1.26 -4.78 135.00 129.84 3gfg s PRO 274 Ca -0.04 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3gfg s PRO 274 Cb -0.10 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.28 3gfg s PRO 274 CO 0.01 -0.96 0.00 0.39 -0.33 0.00 0.00 177.00 176.12 3gfg n GLU 275 N 7.51 2.43 -4.33 5.54 1.02 -1.26 -4.97 120.64 126.58 3gfg n GLU 275 Ca 0.20 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.15 3gfg n GLU 275 Cb 0.41 -0.42 -0.09 0.00 -0.02 0.00 0.00 31.44 31.32 3gfg n GLU 275 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3gfg s ASP 276 N -0.52 1.52 0.45 1.62 3.84 -1.26 -5.04 116.67 117.29 3gfg s ASP 276 Ca 0.00 -1.56 0.30 0.00 -0.00 0.00 0.00 52.55 51.29 3gfg s ASP 276 Cb 0.00 0.39 1.61 0.00 -1.38 0.00 0.00 42.92 43.54 3gfg s ASP 276 CO 0.00 -0.89 1.90 0.44 -0.00 0.00 0.00 175.17 176.62 3gfg h ASP 277 N 2.22 0.00 0.06 2.11 5.19 -2.03 -2.64 116.42 121.33 3gfg h ASP 277 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3gfg h ASP 277 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3gfg h ASP 277 CO 0.52 0.00 -0.01 -1.54 -3.12 0.00 0.00 179.24 175.08 3gfg n SER 278 N -2.55 0.48 -4.77 6.45 3.41 -1.26 -4.87 113.62 110.52 3gfg n SER 278 Ca -0.02 -1.06 -0.41 0.00 -0.26 0.00 0.00 58.87 57.12 3gfg n SER 278 Cb 0.06 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.08 2.66 -0.14 7.33 -0.11 -1.00 -3.26 118.94 122.33 3gfg s TRP 279 Ca 0.42 1.03 0.00 0.00 1.22 0.00 0.00 56.10 58.77 3gfg s TRP 279 Cb 0.21 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 28.15 3gfg s TRP 279 CO 0.38 -3.19 0.00 0.41 -4.62 0.00 0.00 176.95 169.93 3gfg n GLY 280 N 1.09 0.50 3.77 5.86 0.00 -1.26 -4.42 105.19 110.73 3gfg n GLY 280 Ca 0.04 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.92 3.14 0.61 4.61 0.00 -1.20 -0.82 121.76 126.18 3gfg s ALA 281 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 3gfg s ALA 281 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3gfg s ALA 281 CO 0.00 -0.47 0.99 0.34 0.00 0.00 0.00 175.76 176.62 3gfg s ASP 282 N -1.21 5.96 -0.04 0.00 -1.08 -1.26 -4.81 116.67 114.23 3gfg s ASP 282 Ca 0.57 1.17 -0.28 0.00 -0.52 0.00 0.00 52.55 53.49 3gfg s ASP 282 Cb -0.29 -2.20 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 3gfg s ASP 282 CO 0.37 -0.96 0.91 -0.69 0.52 0.00 0.00 175.17 175.31 3gfg s VAL 283 N -3.12 4.91 0.31 1.11 1.01 -1.26 -4.97 120.40 118.38 3gfg s VAL 283 Ca 0.54 1.89 0.08 0.00 0.00 0.00 0.00 61.98 64.49 3gfg s VAL 283 Cb -0.11 -4.24 0.30 0.00 0.00 0.00 0.00 36.38 32.34 3gfg s VAL 283 CO 0.51 0.16 1.73 -0.65 0.00 0.00 0.00 175.10 176.84 3gfg h PRO 284 N 6.85 0.54 -0.01 2.72 0.11 -1.98 0.11 132.00 140.34 3gfg h PRO 284 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gfg h PRO 284 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gfg h PRO 284 CO 0.77 0.36 0.03 0.93 -0.21 0.00 0.00 178.00 179.87 3gfg h GLU 285 N 0.56 0.00 -0.50 1.05 3.07 -2.02 -0.91 114.58 115.82 3gfg h GLU 285 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 3gfg h GLU 285 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3gfg h GLU 285 CO -0.48 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.32 3gfg n PHE 286 N -3.24 0.67 -1.73 4.33 3.72 0.39 -4.96 117.46 116.63 3gfg n PHE 286 Ca -0.03 -0.49 -0.38 0.00 -0.05 0.00 0.00 57.45 56.50 3gfg n PHE 286 Cb 0.10 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.00 2.09 -1.47 1.38 4.01 -0.35 -4.37 117.16 119.45 3gfg n TYR 287 Ca 0.17 0.43 -0.31 0.00 -0.16 0.00 0.00 57.90 58.03 3gfg n TYR 287 Cb 0.51 -2.32 0.06 0.00 -0.31 0.00 0.00 39.34 37.28 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 -1.03 1.70 -0.19 2.72 0.00 -1.22 -4.78 107.32 104.51 3gfg s GLY 288 Ca 0.74 0.18 -0.04 0.00 0.00 0.00 0.00 44.72 45.60 3gfg s GLY 288 CO 0.47 0.50 -0.03 0.54 0.00 0.00 0.00 173.10 174.58 3gfg s LYS 289 N -4.93 3.51 -0.26 2.90 1.02 -0.34 -0.59 119.74 121.04 3gfg s LYS 289 Ca 0.60 -0.58 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 3gfg s LYS 289 Cb -0.15 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 3gfg s LYS 289 CO 0.54 -0.02 0.14 -1.17 -0.92 0.00 0.00 175.35 173.93 3gfg s LEU 290 N 1.03 3.79 -0.14 3.17 2.96 0.10 -1.13 118.68 128.47 3gfg s LEU 290 Ca 0.01 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3gfg s LEU 290 Cb -0.15 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3gfg s LEU 290 CO 0.01 -0.03 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.10 3gfg s THR 291 N 1.60 4.08 -0.02 3.68 2.01 0.58 -0.15 115.64 127.43 3gfg s THR 291 Ca 0.07 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3gfg s THR 291 Cb -0.15 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 3gfg s THR 291 CO 0.07 0.52 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.52 3gfg s THR 292 N -0.02 0.96 -0.14 -0.82 2.01 0.96 -1.13 115.64 117.46 3gfg s THR 292 Ca 0.02 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3gfg s THR 292 Cb -0.13 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 3gfg s THR 292 CO 0.02 0.28 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.53 3gfg s ILE 293 N -0.05 3.53 -0.31 1.82 1.01 0.38 -1.40 121.20 126.18 3gfg s ILE 293 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3gfg s ILE 293 Cb -0.07 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.98 3gfg s ILE 293 CO 0.00 0.52 0.07 -0.13 0.00 0.00 0.00 174.94 175.40 3gfg s ARG 294 N 0.23 1.02 6.46 2.79 3.00 -0.63 -4.90 118.95 126.92 3gfg s ARG 294 Ca -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 55.73 54.36 3gfg s ARG 294 Cb -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 34.95 32.38 3gfg s ARG 294 CO 0.04 -0.94 0.00 0.41 0.00 0.00 0.00 175.30 174.81 3gfg n GLY 295 N 4.65 2.38 0.08 -3.53 0.00 -1.26 -1.41 105.19 106.09 3gfg n GLY 295 Ca -0.01 0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.45 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 10.68 1.09 -4.66 1.61 3.41 -1.26 -4.88 113.62 119.59 3gfg n SER 296 Ca 0.00 -0.98 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 3gfg n SER 296 Cb 0.00 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 3gfg n SER 296 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gfg s ASP 297 N -2.91 6.99 -0.22 4.04 2.15 -0.50 -5.03 116.67 121.18 3gfg s ASP 297 Ca 0.10 1.22 -0.06 0.00 0.43 0.00 0.00 52.55 54.24 3gfg s ASP 297 Cb 0.17 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 3gfg s ASP 297 CO 0.80 -0.49 0.04 -0.75 -0.17 0.00 0.00 175.17 174.59 3gfg s LYS 298 N 2.52 3.69 -0.04 4.34 2.20 -1.26 -1.60 119.74 129.59 3gfg s LYS 298 Ca 0.40 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 3gfg s LYS 298 Cb -0.16 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3gfg s LYS 298 CO 0.10 -0.02 -0.14 0.21 -0.36 0.00 0.00 175.35 175.14 3gfg s LYS 299 N 1.13 1.53 -0.04 4.03 2.20 -0.49 -5.00 119.74 123.10 3gfg s LYS 299 Ca 0.03 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.18 3gfg s LYS 299 Cb -0.14 -1.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 3gfg s LYS 299 CO 0.02 0.19 -0.14 0.99 -0.36 0.00 0.00 175.35 176.06 3gfg s THR 300 N 0.13 1.15 -0.03 3.43 2.01 -1.26 -0.03 115.64 121.04 3gfg s THR 300 Ca -0.04 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 3gfg s THR 300 Cb -0.11 -1.01 0.03 0.00 0.01 0.00 0.00 72.50 71.43 3gfg s THR 300 CO 0.02 0.34 0.05 -0.70 -0.69 0.00 0.00 174.62 173.64 3gfg s GLU 301 N 0.14 -0.03 -0.10 4.92 2.12 0.79 -4.96 118.70 121.58 3gfg s GLU 301 Ca -0.04 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 3gfg s GLU 301 Cb -0.11 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 33.98 3gfg s GLU 301 CO 0.02 -0.20 1.03 0.99 -0.54 0.00 0.00 175.26 176.55 3gfg s THR 302 N 1.31 4.73 -0.35 -1.70 2.01 -1.26 0.01 115.64 120.38 3gfg s THR 302 Ca -0.06 2.00 -0.10 0.00 0.31 0.00 0.00 61.69 63.83 3gfg s THR 302 Cb -0.13 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.12 3gfg s THR 302 CO -0.03 0.01 0.18 -0.63 -0.69 0.00 0.00 174.62 173.46 3gfg s ILE 303 N 2.01 4.53 0.21 1.82 -1.09 0.24 -4.96 121.20 123.95 3gfg s ILE 303 Ca 0.49 -0.74 -0.32 0.00 -2.23 0.00 0.00 60.65 57.86 3gfg s ILE 303 Cb -0.19 -3.46 -0.11 0.00 -1.58 0.00 0.00 42.46 37.12 3gfg s ILE 303 CO 0.19 -0.14 1.65 -2.84 -1.23 0.00 0.00 174.94 172.57 3gfg s PRO 304 N 1.56 4.16 0.44 2.79 0.02 -1.26 -3.39 135.00 139.32 3gfg s PRO 304 Ca 0.03 2.52 -0.24 0.00 0.02 0.00 0.00 61.00 63.33 3gfg s PRO 304 Cb -0.18 -3.09 -0.08 0.00 0.02 0.00 0.00 34.50 31.17 3gfg s PRO 304 CO 0.06 -0.69 1.25 -1.12 -0.33 0.00 0.00 177.00 176.18 3gfg s SER 305 N 1.07 6.12 0.34 2.53 0.01 -1.26 -5.00 113.70 117.50 3gfg s SER 305 Ca 0.72 2.53 -0.28 0.00 1.31 0.00 0.00 55.95 60.23 3gfg s SER 305 Cb -0.48 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.04 3gfg s SER 305 CO 0.34 -0.97 1.17 -0.69 0.41 0.00 0.00 173.24 173.50 3gfg s VAL 306 N -1.37 3.19 0.19 3.43 1.01 -1.26 -4.79 120.40 120.80 3gfg s VAL 306 Ca 0.61 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 63.39 3gfg s VAL 306 Cb -0.35 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 3gfg s VAL 306 CO 0.43 0.21 1.67 0.20 0.00 0.00 0.00 175.10 177.60 3gfg s ASN 307 N -0.89 6.45 0.66 3.32 -0.87 -1.26 -4.45 114.94 117.91 3gfg s ASN 307 Ca 0.50 2.78 -0.17 0.00 -1.57 0.00 0.00 52.86 54.40 3gfg s ASN 307 Cb -0.33 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.28 3gfg s ASN 307 CO 0.43 -0.92 0.99 0.61 -2.57 0.00 0.00 177.10 175.64 3gfg n GLY 308 N 3.89 -0.31 2.62 0.66 0.00 -0.00 -4.75 105.19 107.30 3gfg n GLY 308 Ca 0.15 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3gfg n GLY 308 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gfg n SER 309 N -1.27 -1.46 0.08 1.61 2.88 0.32 -4.27 113.62 111.52 3gfg n SER 309 Ca 0.14 -3.33 0.21 0.00 -1.33 0.00 0.00 58.87 54.56 3gfg n SER 309 Cb 0.48 1.16 0.73 0.00 -0.75 0.00 0.00 64.21 65.84 3gfg n SER 309 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3gfg h TYR 310 N 2.85 0.00 -0.14 0.66 0.05 -1.89 -0.79 116.97 117.71 3gfg h TYR 310 Ca -0.09 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.73 3gfg h TYR 310 Cb 1.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 3gfg h TYR 310 CO 0.33 0.00 0.11 -0.07 -1.05 0.00 0.00 178.16 177.48 3gfg h LEU 311 N 0.00 0.00 -1.05 3.88 3.38 -1.95 -2.28 115.31 117.29 3gfg h LEU 311 Ca 0.21 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3gfg h LEU 311 Cb 1.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 3gfg h LEU 311 CO -0.00 0.00 0.64 0.74 0.09 0.00 0.00 178.44 179.90 3gfg h THR 312 N 0.00 1.15 -0.23 0.22 2.02 -1.56 -0.74 112.91 113.77 3gfg h THR 312 Ca 0.07 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 66.89 3gfg h THR 312 Cb 0.28 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.47 3gfg h THR 312 CO -0.00 0.22 -0.11 0.22 0.37 0.00 0.00 175.52 176.22 3gfg h TYR 313 N 1.21 -0.25 0.00 3.16 3.20 -1.59 -0.04 116.97 122.66 3gfg h TYR 313 Ca 0.39 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.19 3gfg h TYR 313 Cb 0.04 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3gfg h TYR 313 CO -0.00 -0.16 -0.46 1.88 -1.64 0.00 0.00 178.16 177.77 3gfg h TYR 314 N -0.08 0.00 -0.44 -3.82 0.05 -1.52 -2.20 116.97 108.97 3gfg h TYR 314 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3gfg h TYR 314 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3gfg h TYR 314 CO -0.28 0.46 -0.00 0.00 -1.05 0.00 0.00 178.16 177.29 3gfg h ARG 315 N 0.00 0.71 -0.28 4.88 3.08 -0.73 -2.14 114.38 119.90 3gfg h ARG 315 Ca -0.00 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 3gfg h ARG 315 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3gfg h ARG 315 CO 0.06 0.73 -0.10 0.87 -1.07 0.00 0.00 179.97 180.45 3gfg h LYS 316 N 0.67 0.56 -0.47 0.04 1.57 -0.76 -2.55 116.57 115.62 3gfg h LYS 316 Ca 0.13 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3gfg h LYS 316 Cb 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3gfg h LYS 316 CO 0.02 0.79 0.24 0.82 -0.57 0.00 0.00 179.45 180.75 3gfg h ILE 317 N 0.31 0.98 -0.62 1.86 1.08 -1.27 -0.69 117.51 119.17 3gfg h ILE 317 Ca 0.07 -0.17 0.13 0.00 -0.39 0.00 0.00 64.86 64.50 3gfg h ILE 317 Cb 0.60 0.45 -0.11 0.00 -3.07 0.00 0.00 36.82 34.69 3gfg h ILE 317 CO 0.03 0.09 -0.11 0.00 -0.69 0.00 0.00 178.15 177.47 3gfg h ALA 318 N 1.24 0.46 0.00 1.87 0.00 -1.31 -0.85 119.26 120.67 3gfg h ALA 318 Ca 0.20 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 3gfg h ALA 318 Cb 0.09 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gfg h ALA 318 CO -0.13 -0.42 -0.46 0.93 0.00 0.00 0.00 179.25 179.16 3gfg h GLU 319 N 0.03 0.00 -0.26 0.00 5.08 -0.75 -1.05 114.58 117.63 3gfg h GLU 319 Ca 0.30 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 3gfg h GLU 319 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gfg h GLU 319 CO -0.61 0.46 -0.02 0.77 -1.00 0.00 0.00 179.01 178.61 3gfg h SER 320 N 0.00 0.46 -0.51 1.42 0.02 -0.12 0.16 113.55 114.98 3gfg h SER 320 Ca -0.00 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.51 3gfg h SER 320 Cb 0.92 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3gfg h SER 320 CO 0.06 0.68 -0.07 0.40 -1.14 0.00 0.00 176.83 176.76 3gfg h ILE 321 N 0.23 1.27 0.00 3.27 2.04 -0.95 -2.39 117.51 120.99 3gfg h ILE 321 Ca 0.07 -1.20 -0.30 0.00 1.00 0.00 0.00 64.86 64.43 3gfg h ILE 321 Cb 0.46 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3gfg h ILE 321 CO 0.02 0.42 -1.79 0.54 0.00 0.00 0.00 178.15 177.33 3gfg n ARG 322 N -4.23 0.64 -0.02 2.37 1.74 -0.42 -4.58 116.66 112.16 3gfg n ARG 322 Ca 0.01 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3gfg n ARG 322 Cb 0.37 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3gfg n ARG 322 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gfg n GLU 323 N -3.03 1.04 -1.20 5.56 1.02 0.54 -5.01 120.64 119.55 3gfg n GLU 323 Ca -0.19 -0.90 -0.07 0.00 -0.02 0.00 0.00 57.16 55.98 3gfg n GLU 323 Cb 1.06 -0.69 -0.03 0.00 -0.02 0.00 0.00 31.44 31.76 3gfg n GLU 323 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfg n GLY 324 N -0.20 0.79 3.73 0.62 0.00 -0.90 -4.93 105.19 104.30 3gfg n GLY 324 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.89 1.94 0.39 4.61 0.00 -1.10 -4.92 121.76 120.79 3gfg s ALA 325 Ca 0.00 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3gfg s ALA 325 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 3gfg s ALA 325 CO 0.00 -2.17 1.36 0.00 0.00 0.00 0.00 175.76 174.95 3gfg s ALA 326 N -2.78 3.39 0.53 0.00 0.00 -1.26 -4.27 121.76 117.37 3gfg s ALA 326 Ca 0.64 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.73 3gfg s ALA 326 Cb -0.20 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 3gfg s ALA 326 CO 0.56 -0.87 1.25 -0.51 0.00 0.00 0.00 175.76 176.19 3gfg s LEU 327 N -2.22 3.84 0.26 0.00 1.43 -1.26 -4.77 118.68 115.95 3gfg s LEU 327 Ca 0.54 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.16 3gfg s LEU 327 Cb -0.41 -4.37 0.33 0.00 0.03 0.00 0.00 46.19 41.77 3gfg s LEU 327 CO 0.54 -1.38 1.65 1.55 0.23 0.00 0.00 176.35 178.94 3gfg h PRO 328 N 1.45 0.41 -3.68 1.29 0.13 -1.89 -3.41 132.00 126.31 3gfg h PRO 328 Ca -0.50 -0.20 -0.34 0.00 -0.87 0.00 0.00 66.00 64.08 3gfg h PRO 328 Cb 1.28 -0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.07 3gfg h PRO 328 CO 0.57 0.75 -0.75 0.08 -0.23 0.00 0.00 178.00 178.43 3gfg s VAL 329 N -4.21 0.14 0.23 1.56 1.01 -1.26 -5.08 120.40 112.80 3gfg s VAL 329 Ca -0.06 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3gfg s VAL 329 Cb 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 3gfg s VAL 329 CO 0.80 0.14 0.48 0.42 0.00 0.00 0.00 175.10 176.94 3gfg s THR 330 N 1.10 5.09 0.29 3.92 -4.23 -1.26 -3.88 115.64 116.66 3gfg s THR 330 Ca -0.09 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 3gfg s THR 330 Cb -0.13 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.30 3gfg s THR 330 CO -0.02 -0.19 1.68 0.00 -0.54 0.00 0.00 174.62 175.55 3gfg h ALA 331 N 2.06 1.40 -0.94 3.99 0.00 -1.91 -1.48 119.26 122.37 3gfg h ALA 331 Ca -0.47 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3gfg h ALA 331 Cb 1.18 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3gfg h ALA 331 CO 0.68 -0.37 0.56 1.49 0.00 0.00 0.00 179.25 181.61 3gfg h GLU 332 N 0.35 1.29 -0.64 0.00 4.57 -1.94 -0.85 114.58 117.36 3gfg h GLU 332 Ca 0.56 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.65 3gfg h GLU 332 Cb 1.07 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.35 3gfg h GLU 332 CO -0.55 0.91 0.38 0.93 -1.18 0.00 0.00 179.01 179.50 3gfg h GLU 333 N 1.31 0.72 -0.51 1.92 5.08 -1.67 -1.20 114.58 120.23 3gfg h GLU 333 Ca 0.34 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3gfg h GLU 333 Cb -0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3gfg h GLU 333 CO -0.06 0.47 0.06 0.78 -1.00 0.00 0.00 179.01 179.27 3gfg h GLY 334 N 0.74 0.92 1.01 -3.84 0.00 -1.03 -2.67 103.07 98.19 3gfg h GLY 334 Ca 0.27 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gfg h GLY 334 CO -0.13 0.58 0.45 -2.22 0.00 0.00 0.00 176.54 175.22 3gfg h ILE 335 N 0.72 1.21 -0.68 2.60 2.04 -0.93 -2.37 117.51 120.10 3gfg h ILE 335 Ca 0.15 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3gfg h ILE 335 Cb 0.43 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3gfg h ILE 335 CO 0.01 0.21 0.45 0.78 0.00 0.00 0.00 178.15 179.61 3gfg h ASN 336 N 1.00 0.71 -0.30 1.72 2.35 -1.03 0.56 115.58 120.58 3gfg h ASN 336 Ca 0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3gfg h ASN 336 Cb -0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3gfg h ASN 336 CO -0.05 0.49 0.20 0.58 -1.65 0.00 0.00 177.43 176.99 3gfg h VAL 337 N 0.82 1.08 -0.42 2.81 2.07 -1.10 -2.10 116.25 119.41 3gfg h VAL 337 Ca 0.27 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 3gfg h VAL 337 Cb 0.07 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3gfg h VAL 337 CO -0.08 0.07 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 3gfg h ILE 338 N 0.40 1.23 -0.97 4.57 1.08 -0.88 -1.62 117.51 121.33 3gfg h ILE 338 Ca 0.11 -0.95 0.06 0.00 -0.39 0.00 0.00 64.86 63.69 3gfg h ILE 338 Cb -0.05 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 3gfg h ILE 338 CO -0.02 0.33 0.63 0.03 -0.69 0.00 0.00 178.15 178.42 3gfg h ARG 339 N 0.64 1.11 -0.35 2.37 3.08 -0.37 0.50 114.38 121.36 3gfg h ARG 339 Ca 0.13 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 3gfg h ARG 339 Cb 0.42 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3gfg h ARG 339 CO 0.02 0.74 -0.38 0.82 -1.07 0.00 0.00 179.97 180.09 3gfg h ILE 340 N 1.15 1.28 -0.26 2.04 1.08 -0.68 -1.09 117.51 121.02 3gfg h ILE 340 Ca 0.41 -1.55 -0.05 0.00 -0.39 0.00 0.00 64.86 63.28 3gfg h ILE 340 Cb 0.14 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 3gfg h ILE 340 CO -0.15 0.51 -0.03 0.40 -0.69 0.00 0.00 178.15 178.19 3gfg h ILE 341 N 0.68 1.27 -0.55 -0.67 2.04 -0.56 0.11 117.51 119.82 3gfg h ILE 341 Ca 0.06 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3gfg h ILE 341 Cb 0.95 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3gfg h ILE 341 CO 0.09 0.31 0.15 -0.33 0.00 0.00 0.00 178.15 178.37 3gfg h GLU 342 N 0.24 0.84 -0.43 2.37 5.08 -0.86 0.13 114.58 121.96 3gfg h GLU 342 Ca 0.07 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3gfg h GLU 342 Cb 0.47 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3gfg h GLU 342 CO 0.02 0.75 -0.23 0.00 -1.00 0.00 0.00 179.01 178.55 3gfg h ALA 343 N 1.35 0.79 -0.38 3.43 0.00 -0.85 -0.21 119.26 123.38 3gfg h ALA 343 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3gfg h ALA 343 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gfg h ALA 343 CO -0.00 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.90 3gfg h ALA 344 N 0.98 0.51 -0.91 0.00 0.00 -0.27 0.12 119.26 119.69 3gfg h ALA 344 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gfg h ALA 344 Cb 0.77 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3gfg h ALA 344 CO 0.06 0.29 0.60 0.52 0.00 0.00 0.00 179.25 180.72 3gfg h MET 345 N 0.49 1.20 -0.30 0.00 2.07 -0.83 -0.03 114.93 117.53 3gfg h MET 345 Ca 0.11 -0.07 -0.12 0.00 -2.07 0.00 0.00 59.70 57.54 3gfg h MET 345 Cb 0.47 -0.27 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 3gfg h MET 345 CO 0.02 0.80 -0.27 1.49 1.07 0.00 0.00 176.91 180.01 3gfg h GLU 346 N 1.24 0.72 -0.55 1.72 4.81 -0.78 -2.05 114.58 119.69 3gfg h GLU 346 Ca 0.33 -0.37 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3gfg h GLU 346 Cb -0.14 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 3gfg h GLU 346 CO -0.07 0.99 0.23 1.03 -0.73 0.00 0.00 179.01 180.46 3gfg h SER 347 N 0.48 0.28 -0.53 1.04 0.87 -0.24 0.70 113.55 116.14 3gfg h SER 347 Ca 0.05 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3gfg h SER 347 Cb 0.84 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 3gfg h SER 347 CO 0.07 0.18 0.14 -1.28 -0.53 0.00 0.00 176.83 175.41 3gfg h SER 348 N 0.44 0.79 -0.21 6.23 0.87 -0.92 -0.90 113.55 119.86 3gfg h SER 348 Ca 0.26 -0.23 -0.17 0.00 -1.23 0.00 0.00 61.79 60.43 3gfg h SER 348 Cb 0.26 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3gfg h SER 348 CO -0.24 0.81 -0.49 0.50 -0.53 0.00 0.00 176.83 176.89 3gfg h LYS 349 N 0.74 0.79 -0.01 2.24 3.64 -1.00 -3.23 116.57 119.73 3gfg h LYS 349 Ca 0.17 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3gfg h LYS 349 Cb 0.32 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3gfg h LYS 349 CO 0.00 1.09 -0.16 0.39 -2.27 0.00 0.00 179.45 178.50 3gfg n GLU 350 N -4.01 1.22 -3.73 1.90 -0.58 0.21 -4.95 120.64 110.69 3gfg n GLU 350 Ca -0.03 -0.74 -0.29 0.00 -0.42 0.00 0.00 57.16 55.68 3gfg n GLU 350 Cb 0.59 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.98 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 -0.25 -4.25 -3.96 3.49 4.76 -0.37 -4.98 118.16 112.60 3gfg n LYS 351 Ca 0.15 0.52 -0.10 0.00 -2.87 0.00 0.00 58.31 56.02 3gfg n LYS 351 Cb 0.36 -5.32 -0.07 0.00 -1.84 0.00 0.00 35.03 28.16 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 -6.42 1.18 0.28 1.97 1.70 -1.02 -5.06 118.95 111.58 3gfg s ARG 352 Ca 0.57 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 3gfg s ARG 352 Cb -0.30 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.37 3gfg s ARG 352 CO 0.70 -0.44 1.14 0.99 -1.08 0.00 0.00 175.30 176.62 3gfg s THR 353 N -3.97 3.36 -0.26 4.99 2.01 -1.26 -4.42 115.64 116.07 3gfg s THR 353 Ca 0.18 1.36 -0.06 0.00 0.31 0.00 0.00 61.69 63.47 3gfg s THR 353 Cb 0.03 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3gfg s THR 353 CO 0.01 0.32 0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 3gfg s ILE 354 N -1.11 3.99 0.22 1.82 -1.09 -0.63 -4.97 121.20 119.44 3gfg s ILE 354 Ca 0.46 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 3gfg s ILE 354 Cb -0.33 -2.94 -0.09 0.00 -1.58 0.00 0.00 42.46 37.52 3gfg s ILE 354 CO 0.43 0.25 1.18 -0.04 -1.23 0.00 0.00 174.94 175.52 3gfg s MET 355 N 1.54 4.52 0.00 2.79 -1.94 -1.26 -1.27 119.30 123.69 3gfg s MET 355 Ca 0.05 1.88 0.27 0.00 -1.71 0.00 0.00 55.69 56.17 3gfg s MET 355 Cb -0.16 -3.22 0.87 0.00 2.01 0.00 0.00 34.83 34.33 3gfg s MET 355 CO 0.02 -0.01 1.64 1.28 -0.01 0.00 0.00 175.02 177.94