#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfg s GLY 2 N 0.00 1.48 -0.02 0.00 0.00 -0.46 -4.94 107.32 103.37 1xfg s GLY 2 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.82 1xfg s GLY 2 CO 0.00 -0.57 -0.24 -0.42 0.00 0.00 0.00 173.10 171.87 1xfg s ILE 3 N -0.29 1.87 0.01 0.90 1.01 -1.26 -1.03 121.20 122.41 1xfg s ILE 3 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1xfg s ILE 3 Cb -0.13 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1xfg s ILE 3 CO 0.03 0.53 -0.01 -0.69 0.00 0.00 0.00 174.94 174.79 1xfg s VAL 4 N -0.50 0.05 0.15 2.92 1.01 -0.81 -1.20 120.40 122.03 1xfg s VAL 4 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1xfg s VAL 4 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1xfg s VAL 4 CO -0.00 -0.19 0.28 -0.83 0.00 0.00 0.00 175.10 174.35 1xfg s GLY 5 N -0.56 0.34 -0.05 4.51 0.00 0.58 -0.25 107.32 111.89 1xfg s GLY 5 Ca -0.06 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 43.65 1xfg s GLY 5 CO -0.00 -0.79 0.53 0.00 0.00 0.00 0.00 173.10 172.83 1xfg s ALA 6 N -3.93 -1.35 -0.10 3.20 0.00 0.19 -1.54 121.76 118.22 1xfg s ALA 6 Ca 0.14 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 1xfg s ALA 6 Cb 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1xfg s ALA 6 CO -0.03 -0.32 0.07 -1.50 0.00 0.00 0.00 175.76 173.98 1xfg s ILE 7 N -1.10 -0.05 0.29 0.00 2.07 -0.14 -1.47 121.20 120.80 1xfg s ILE 7 Ca -0.11 0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.19 1xfg s ILE 7 Cb -0.02 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 1xfg s ILE 7 CO 0.07 -0.03 0.42 0.00 -1.91 0.00 0.00 174.94 173.49 1xfg s ALA 8 N 2.13 0.50 -0.05 1.50 0.00 0.11 -1.45 121.76 124.50 1xfg s ALA 8 Ca 0.03 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1xfg s ALA 8 Cb -0.14 1.16 -0.31 0.00 0.00 0.00 0.00 23.12 23.84 1xfg s ALA 8 CO -0.06 -0.78 0.65 0.37 0.00 0.00 0.00 175.76 175.94 1xfg h GLN 9 N 2.23 0.39 -7.32 0.00 4.15 -1.83 -3.41 115.11 109.33 1xfg h GLN 9 Ca -0.29 -0.67 -0.51 0.00 0.77 0.00 0.00 58.65 57.96 1xfg h GLN 9 Cb 1.24 0.25 0.10 0.00 0.21 0.00 0.00 27.48 29.28 1xfg h GLN 9 CO 0.40 1.32 0.36 -0.98 -1.93 0.00 0.00 178.83 178.00 1xfg s ARG 10 N -2.57 2.82 0.30 1.69 1.70 -1.26 -4.57 118.95 117.06 1xfg s ARG 10 Ca -0.16 1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 55.83 1xfg s ARG 10 Cb 0.05 -1.97 -0.11 0.00 -0.57 0.00 0.00 34.95 32.35 1xfg s ARG 10 CO 0.85 -1.20 1.57 -0.51 -1.08 0.00 0.00 175.30 174.93 1xfg s ASP 11 N -3.60 6.38 0.00 -2.89 1.01 -1.26 -4.17 116.67 112.13 1xfg s ASP 11 Ca 0.59 2.96 0.15 0.00 0.71 0.00 0.00 52.55 56.96 1xfg s ASP 11 Cb -0.15 -2.64 0.11 0.00 1.01 0.00 0.00 42.92 41.25 1xfg s ASP 11 CO 0.54 -0.90 0.96 1.33 0.21 0.00 0.00 175.17 177.31 1xfg n VAL 12 N 1.92 0.00 -0.30 -1.27 0.24 -0.75 -4.63 118.33 113.52 1xfg n VAL 12 Ca 0.07 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1xfg n VAL 12 Cb 0.38 1.30 0.14 0.00 -1.47 0.00 0.00 33.84 34.19 1xfg n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xfg h ALA 13 N 2.92 1.15 -0.19 2.33 0.00 -1.82 0.81 119.26 124.47 1xfg h ALA 13 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xfg h ALA 13 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xfg h ALA 13 CO 0.00 0.26 -0.39 0.93 0.00 0.00 0.00 179.25 180.05 1xfg h GLU 14 N 0.95 0.43 -0.51 0.00 4.39 -1.93 -0.78 114.58 117.13 1xfg h GLU 14 Ca 0.37 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1xfg h GLU 14 Cb 0.17 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1xfg h GLU 14 CO -0.17 0.75 -0.07 0.82 -1.16 0.00 0.00 179.01 179.18 1xfg h ILE 15 N 0.36 1.27 -0.66 3.13 2.04 -1.49 -1.36 117.51 120.79 1xfg h ILE 15 Ca 0.04 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 1xfg h ILE 15 Cb 0.84 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1xfg h ILE 15 CO 0.07 0.42 0.20 -0.07 0.00 0.00 0.00 178.15 178.76 1xfg h LEU 16 N 0.81 0.97 -0.66 1.44 3.38 -0.46 -0.33 115.31 120.45 1xfg h LEU 16 Ca 0.14 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1xfg h LEU 16 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xfg h LEU 16 CO 0.04 0.93 -0.20 -0.07 0.09 0.00 0.00 178.44 179.23 1xfg h LEU 17 N 0.97 0.84 -0.57 1.67 3.38 -1.07 -0.61 115.31 119.91 1xfg h LEU 17 Ca 0.21 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1xfg h LEU 17 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xfg h LEU 17 CO -0.00 1.02 -0.16 -0.08 0.09 0.00 0.00 178.44 179.30 1xfg h GLU 18 N 0.72 0.98 -0.95 1.13 4.57 -1.00 -0.95 114.58 119.08 1xfg h GLU 18 Ca 0.10 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1xfg h GLU 18 Cb 0.73 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 1xfg h GLU 18 CO 0.06 1.06 0.60 0.78 -1.18 0.00 0.00 179.01 180.32 1xfg h GLY 19 N 0.92 1.35 1.24 1.92 0.00 -0.69 -1.94 103.07 105.87 1xfg h GLY 19 Ca 0.12 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1xfg h GLY 19 CO 0.06 0.52 -0.08 1.41 0.00 0.00 0.00 176.54 178.44 1xfg h LEU 20 N 1.29 0.89 -1.62 3.11 3.38 -0.65 -1.99 115.31 119.73 1xfg h LEU 20 Ca 0.34 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1xfg h LEU 20 Cb -0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1xfg h LEU 20 CO -0.07 1.00 0.33 0.03 0.09 0.00 0.00 178.44 179.82 1xfg h ARG 21 N 0.81 0.47 0.00 1.13 3.08 -0.51 -0.01 114.38 119.35 1xfg h ARG 21 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1xfg h ARG 21 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1xfg h ARG 21 CO 0.04 0.31 0.00 0.54 -1.07 0.00 0.00 179.97 179.79 1xfg n ARG 22 N -4.48 0.20 0.00 0.04 1.74 -0.78 -3.06 116.66 110.33 1xfg n ARG 22 Ca 0.06 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.51 1xfg n ARG 22 Cb 0.20 -1.79 -0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1xfg n ARG 22 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xfg n LEU 23 N -2.15 1.81 -0.12 0.55 4.77 -0.06 -4.61 117.00 117.18 1xfg n LEU 23 Ca 0.04 -0.77 -0.10 0.00 -0.03 0.00 0.00 56.01 55.15 1xfg n LEU 23 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1xfg n LEU 23 CO 0.25 0.34 0.87 -0.33 -1.33 0.00 0.00 177.39 177.19 1xfg h GLU 24 N 2.10 0.56 -1.33 3.23 5.08 -1.36 -2.90 114.58 119.96 1xfg h GLU 24 Ca 0.00 -0.12 0.46 0.00 -1.00 0.00 0.00 59.36 58.70 1xfg h GLU 24 Cb 0.63 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.67 1xfg h GLU 24 CO 0.00 0.58 0.85 2.48 -1.00 0.00 0.00 179.01 181.92 1xfg n TYR 25 N -4.64 0.68 0.27 4.33 4.11 -1.26 0.32 117.16 120.98 1xfg n TYR 25 Ca -0.01 0.69 0.15 0.00 -0.00 0.00 0.00 57.90 58.73 1xfg n TYR 25 Cb 0.18 -1.12 0.88 0.00 -0.00 0.00 0.00 39.34 39.28 1xfg n TYR 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xfg h ARG 26 N 0.00 0.00 0.00 -3.48 3.08 -1.86 -3.48 114.38 108.64 1xfg h ARG 26 Ca 0.85 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.90 1xfg h ARG 26 Cb 2.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.78 1xfg h ARG 26 CO -0.45 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.86 1xfg n GLY 27 N -1.35 -0.59 0.00 0.04 0.00 0.98 -5.14 105.19 99.13 1xfg n GLY 27 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1xfg n GLY 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xfg n TYR 28 N -0.11 0.00 0.10 1.61 4.11 -1.26 -4.68 117.16 116.93 1xfg n TYR 28 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1xfg n TYR 28 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1xfg n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1xfg n ASP 29 N 0.00 2.37 -3.41 9.48 5.68 0.51 -4.97 116.55 126.21 1xfg n ASP 29 Ca 0.00 -0.20 -0.08 0.00 -0.50 0.00 0.00 54.79 54.01 1xfg n ASP 29 Cb 0.00 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.23 1xfg n ASP 29 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1xfg s SER 30 N -2.54 -0.13 0.12 -1.12 1.04 -1.19 -1.27 113.70 108.62 1xfg s SER 30 Ca -0.01 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 55.32 1xfg s SER 30 Cb 0.05 0.78 0.07 0.00 0.10 0.00 0.00 66.02 67.02 1xfg s SER 30 CO 0.32 -1.50 0.60 0.00 0.98 0.00 0.00 173.24 173.64 1xfg s ALA 31 N -3.13 -1.60 0.09 5.32 0.00 -0.71 -0.56 121.76 121.17 1xfg s ALA 31 Ca 0.13 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 1xfg s ALA 31 Cb -0.05 0.73 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1xfg s ALA 31 CO 0.09 -0.69 0.82 0.20 0.00 0.00 0.00 175.76 176.18 1xfg s GLY 32 N -2.48 -0.42 0.11 0.00 0.00 -0.40 -1.12 107.32 103.02 1xfg s GLY 32 Ca -0.01 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.16 1xfg s GLY 32 CO -0.09 0.18 0.32 0.48 0.00 0.00 0.00 173.10 173.99 1xfg s LEU 33 N -2.69 0.81 -0.04 0.66 2.34 -0.17 -0.60 118.68 118.99 1xfg s LEU 33 Ca 0.06 -0.47 -0.03 0.00 0.06 0.00 0.00 54.13 53.75 1xfg s LEU 33 Cb -0.02 1.51 0.02 0.00 -0.56 0.00 0.00 46.19 47.14 1xfg s LEU 33 CO -0.06 -0.81 0.11 0.00 -1.06 0.00 0.00 176.35 174.53 1xfg s ALA 34 N -3.83 -0.24 0.08 1.48 0.00 -0.05 -1.10 121.76 118.10 1xfg s ALA 34 Ca 0.04 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.43 1xfg s ALA 34 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1xfg s ALA 34 CO -0.11 -0.08 -0.14 0.14 0.00 0.00 0.00 175.76 175.57 1xfg s VAL 35 N 0.37 1.15 -0.04 0.00 -7.23 -0.30 -1.39 120.40 112.96 1xfg s VAL 35 Ca -0.03 -1.37 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1xfg s VAL 35 Cb -0.04 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.75 1xfg s VAL 35 CO -0.01 -0.25 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.70 1xfg s VAL 36 N -1.41 1.19 0.69 1.32 1.01 0.51 -0.62 120.40 123.09 1xfg s VAL 36 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1xfg s VAL 36 Cb -0.09 -1.04 0.14 0.00 0.00 0.00 0.00 36.38 35.39 1xfg s VAL 36 CO 0.02 0.35 0.95 -0.90 0.00 0.00 0.00 175.10 175.53 1xfg n ASP 37 N 3.36 1.04 0.30 3.32 5.68 -0.69 -2.57 116.55 126.99 1xfg n ASP 37 Ca -0.19 -1.94 0.19 0.00 -0.50 0.00 0.00 54.79 52.35 1xfg n ASP 37 Cb 0.53 -0.64 0.91 0.00 -1.14 0.00 0.00 41.12 40.78 1xfg n ASP 37 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xfg h ALA 38 N -0.79 1.06 -0.30 2.12 0.00 -1.93 -1.98 119.26 117.45 1xfg h ALA 38 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xfg h ALA 38 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xfg h ALA 38 CO 0.31 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1xfg n GLU 39 N -3.20 2.02 -0.77 0.00 1.02 -1.26 -4.90 120.64 113.55 1xfg n GLU 39 Ca -0.01 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.57 1xfg n GLU 39 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1xfg n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfg n GLY 40 N 1.26 0.56 3.64 0.62 0.00 -0.74 -5.02 105.19 105.51 1xfg n GLY 40 Ca 0.17 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1xfg n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xfg s HIS 41 N -2.00 3.32 -0.13 1.61 3.76 -1.26 -4.70 115.29 115.89 1xfg s HIS 41 Ca 0.00 0.99 -0.04 0.00 -0.15 0.00 0.00 55.06 55.86 1xfg s HIS 41 Cb 0.00 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 1xfg s HIS 41 CO 0.00 -0.31 0.02 1.41 -0.85 0.00 0.00 174.74 175.01 1xfg s MET 42 N 2.46 3.49 -0.13 1.40 1.75 -1.26 -1.70 119.30 125.31 1xfg s MET 42 Ca 0.31 -0.40 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 1xfg s MET 42 Cb -0.16 -2.98 0.00 0.00 2.84 0.00 0.00 34.83 34.54 1xfg s MET 42 CO 0.09 0.46 -0.21 0.99 -0.65 0.00 0.00 175.02 175.70 1xfg s THR 43 N -0.21 2.22 -0.05 10.11 2.01 0.21 -4.98 115.64 124.95 1xfg s THR 43 Ca 0.06 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1xfg s THR 43 Cb -0.12 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1xfg s THR 43 CO 0.02 0.55 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.68 1xfg s ARG 44 N 0.65 2.19 -0.04 4.92 3.52 -1.26 -1.15 118.95 127.77 1xfg s ARG 44 Ca -0.11 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1xfg s ARG 44 Cb -0.16 -1.89 0.02 0.00 -1.56 0.00 0.00 34.95 31.37 1xfg s ARG 44 CO 0.02 0.33 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.65 1xfg s LEU 45 N -0.11 1.15 0.08 -0.88 2.96 -0.26 -5.00 118.68 116.63 1xfg s LEU 45 Ca -0.03 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1xfg s LEU 45 Cb -0.12 -0.37 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1xfg s LEU 45 CO 0.03 -0.09 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.74 1xfg s ARG 46 N 1.12 0.78 -0.05 1.98 0.52 -1.26 -1.00 118.95 121.04 1xfg s ARG 46 Ca -0.08 -1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 54.02 1xfg s ARG 46 Cb -0.14 -0.47 0.02 0.00 0.52 0.00 0.00 34.95 34.89 1xfg s ARG 46 CO -0.01 0.07 0.12 1.03 0.02 0.00 0.00 175.30 176.53 1xfg s ARG 47 N -2.58 0.11 0.01 3.54 1.81 -0.28 -4.99 118.95 116.56 1xfg s ARG 47 Ca 0.02 0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.97 1xfg s ARG 47 Cb -0.04 -0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1xfg s ARG 47 CO -0.00 -0.08 1.36 -1.17 -0.68 0.00 0.00 175.30 174.73 1xfg s LEU 48 N 0.52 4.32 0.00 2.53 2.96 -1.26 -1.75 118.68 126.01 1xfg s LEU 48 Ca -0.04 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1xfg s LEU 48 Cb -0.05 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1xfg s LEU 48 CO -0.02 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 1xfg n GLY 49 N 3.57 0.75 3.94 7.98 0.00 -0.39 -4.98 105.19 116.05 1xfg n GLY 49 Ca 0.12 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.84 1xfg n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfg s LYS 50 N -1.01 3.39 0.40 1.61 -0.14 -1.26 -3.50 119.74 119.23 1xfg s LYS 50 Ca 0.00 -0.29 0.10 0.00 -1.36 0.00 0.00 55.97 54.42 1xfg s LYS 50 Cb 0.00 -2.59 0.90 0.00 -1.68 0.00 0.00 37.83 34.46 1xfg s LYS 50 CO 0.00 -0.01 1.98 0.28 -0.76 0.00 0.00 175.35 176.84 1xfg h VAL 51 N 0.58 0.97 -0.84 3.17 2.07 -1.96 -1.25 116.25 118.98 1xfg h VAL 51 Ca -0.48 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 66.90 1xfg h VAL 51 Cb 1.23 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1xfg h VAL 51 CO 0.60 0.10 0.55 -0.61 0.02 0.00 0.00 177.57 178.23 1xfg h GLN 52 N 0.56 0.93 -0.70 1.57 5.75 -1.98 0.43 115.11 121.67 1xfg h GLN 52 Ca 0.28 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1xfg h GLN 52 Cb 0.36 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1xfg h GLN 52 CO -0.08 0.61 0.25 1.98 -2.65 0.00 0.00 178.83 178.94 1xfg h MET 53 N 0.95 1.06 -0.50 1.69 4.05 -1.62 -0.66 114.93 119.91 1xfg h MET 53 Ca 0.36 -0.21 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1xfg h MET 53 Cb 0.18 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1xfg h MET 53 CO -0.12 0.89 0.14 1.25 0.23 0.00 0.00 176.91 179.30 1xfg h LEU 54 N 1.00 0.74 -0.93 3.39 5.85 -1.04 -1.15 115.31 123.17 1xfg h LEU 54 Ca 0.23 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xfg h LEU 54 Cb 0.25 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xfg h LEU 54 CO -0.01 0.76 0.27 0.00 -0.34 0.00 0.00 178.44 179.11 1xfg h ALA 55 N 1.00 1.15 -0.38 1.25 0.00 0.12 0.92 119.26 123.33 1xfg h ALA 55 Ca 0.16 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1xfg h ALA 55 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xfg h ALA 55 CO -0.00 0.61 -0.33 1.96 0.00 0.00 0.00 179.25 181.49 1xfg h GLN 56 N 1.02 0.85 -0.73 0.00 4.20 -0.92 -1.86 115.11 117.67 1xfg h GLN 56 Ca 0.24 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1xfg h GLN 56 Cb 0.21 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1xfg h GLN 56 CO -0.02 1.05 0.27 0.00 -0.67 0.00 0.00 178.83 179.46 1xfg h ALA 57 N 0.91 1.10 -0.03 3.87 0.00 -0.71 -2.43 119.26 121.98 1xfg h ALA 57 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1xfg h ALA 57 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xfg h ALA 57 CO 0.08 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 1xfg h ALA 58 N 1.23 1.48 0.00 0.00 0.00 -0.46 -2.68 119.26 118.82 1xfg h ALA 58 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xfg h ALA 58 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xfg h ALA 58 CO -0.02 0.38 -0.07 0.93 0.00 0.00 0.00 179.25 180.47 1xfg h GLU 59 N 0.05 0.00 -0.63 0.00 5.08 -0.82 -1.52 114.58 116.74 1xfg h GLU 59 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xfg h GLU 59 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1xfg h GLU 59 CO 0.04 0.07 0.04 -0.85 -1.00 0.00 0.00 179.01 177.31 1xfg n GLU 60 N -3.83 4.57 -0.35 2.33 0.28 -1.01 -4.35 120.64 118.28 1xfg n GLU 60 Ca -0.02 -2.98 0.00 0.00 -0.16 0.00 0.00 57.16 53.99 1xfg n GLU 60 Cb 0.17 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.81 1xfg n GLU 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1xfg n HIS 61 N 0.50 0.00 0.00 -1.84 8.25 -0.58 -5.07 115.22 116.48 1xfg n HIS 61 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1xfg n HIS 61 Cb 1.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.29 1xfg n HIS 61 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xfg n PRO 62 N 0.00 0.00 -2.24 -0.41 -0.02 -1.18 -4.65 135.00 126.50 1xfg n PRO 62 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1xfg n PRO 62 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.08 1xfg n PRO 62 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xfg s LEU 63 N 0.00 3.53 0.09 2.45 1.02 -1.26 -5.01 118.68 119.50 1xfg s LEU 63 Ca 0.00 0.89 -0.05 0.00 0.02 0.00 0.00 54.13 54.99 1xfg s LEU 63 Cb 0.00 -3.44 -0.05 0.00 0.02 0.00 0.00 46.19 42.72 1xfg s LEU 63 CO 0.00 -1.58 0.34 -1.00 0.02 0.00 0.00 176.35 174.12 1xfg s HIS 64 N 6.08 3.52 0.00 0.29 3.76 -1.26 -4.62 115.29 123.06 1xfg s HIS 64 Ca 0.66 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 1xfg s HIS 64 Cb -0.16 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1xfg s HIS 64 CO 0.32 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 175.12 1xfg n GLY 65 N 0.49 4.63 1.01 -2.22 0.00 -1.26 -4.04 105.19 103.80 1xfg n GLY 65 Ca -0.06 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1xfg n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfg n GLY 66 N -1.85 1.19 3.21 -0.02 0.00 -1.12 -1.82 105.19 104.79 1xfg n GLY 66 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1xfg n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfg s THR 67 N -1.86 1.94 0.11 2.61 2.01 -1.06 0.08 115.64 119.47 1xfg s THR 67 Ca 0.31 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.09 1xfg s THR 67 Cb 0.21 -1.67 0.07 0.00 0.01 0.00 0.00 72.50 71.12 1xfg s THR 67 CO 0.30 0.54 0.79 -0.83 -0.69 0.00 0.00 174.62 174.73 1xfg s GLY 68 N 0.22 -0.42 0.03 4.40 0.00 -0.54 -0.36 107.32 110.65 1xfg s GLY 68 Ca -0.14 0.51 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 1xfg s GLY 68 CO 0.07 0.16 0.01 -0.26 0.00 0.00 0.00 173.10 173.08 1xfg s ILE 69 N -3.45 0.15 0.11 0.90 -4.36 -0.49 -0.64 121.20 113.43 1xfg s ILE 69 Ca 0.06 -1.20 -0.12 0.00 -0.26 0.00 0.00 60.65 59.13 1xfg s ILE 69 Cb -0.02 -0.78 0.02 0.00 1.25 0.00 0.00 42.46 42.93 1xfg s ILE 69 CO -0.06 -0.66 0.30 0.00 0.24 0.00 0.00 174.94 174.76 1xfg s ALA 70 N -2.44 -0.56 -0.15 2.27 0.00 0.65 -0.87 121.76 120.65 1xfg s ALA 70 Ca -0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1xfg s ALA 70 Cb -0.03 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.76 1xfg s ALA 70 CO -0.04 -0.58 0.58 -1.58 0.00 0.00 0.00 175.76 174.14 1xfg s HIS 71 N -3.84 -0.60 -0.07 0.00 5.04 0.23 -1.92 115.29 114.13 1xfg s HIS 71 Ca 0.05 1.32 0.01 0.00 -1.54 0.00 0.00 55.06 54.89 1xfg s HIS 71 Cb 0.03 0.26 -0.03 0.00 0.04 0.00 0.00 32.58 32.88 1xfg s HIS 71 CO -0.11 -0.40 -0.08 0.95 -2.34 0.00 0.00 174.74 172.76 1xfg s THR 72 N -0.28 3.62 -0.10 0.89 -4.23 -0.20 -1.27 115.64 114.07 1xfg s THR 72 Ca -0.05 -0.51 -0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1xfg s THR 72 Cb -0.03 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1xfg s THR 72 CO 0.04 0.59 -0.08 -0.60 -0.54 0.00 0.00 174.62 174.03 1xfg s ARG 73 N -0.76 3.13 -0.41 3.99 3.52 0.28 -0.37 118.95 128.33 1xfg s ARG 73 Ca 0.12 -0.58 -0.02 0.00 -0.13 0.00 0.00 55.73 55.12 1xfg s ARG 73 Cb -0.11 -2.68 0.11 0.00 -1.56 0.00 0.00 34.95 30.71 1xfg s ARG 73 CO 0.01 0.45 0.19 -0.46 -0.81 0.00 0.00 175.30 174.69 1xfg s TRP 74 N -0.23 3.60 0.24 5.12 -0.11 -1.26 -0.36 118.94 125.94 1xfg s TRP 74 Ca 0.03 -2.56 -0.31 0.00 1.22 0.00 0.00 56.10 54.47 1xfg s TRP 74 Cb -0.13 -3.17 -0.13 0.00 -1.50 0.00 0.00 33.47 28.54 1xfg s TRP 74 CO 0.03 -0.96 1.41 0.00 -4.62 0.00 0.00 176.95 172.81 1xfg n ALA 75 N 4.42 1.09 -0.00 5.86 0.00 -1.26 -4.80 120.51 125.82 1xfg n ALA 75 Ca -0.00 0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.85 1xfg n ALA 75 Cb 0.41 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 1xfg n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xfg n THR 76 N 1.91 0.03 -4.03 0.00 -2.24 -1.26 -5.00 114.28 103.68 1xfg n THR 76 Ca 0.12 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 1xfg n THR 76 Cb 0.31 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 67.87 1xfg n THR 76 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xfg s HIS 77 N -2.01 3.44 0.00 4.78 3.76 -1.26 -4.98 115.29 119.02 1xfg s HIS 77 Ca -0.01 -2.62 0.00 0.00 -0.15 0.00 0.00 55.06 52.28 1xfg s HIS 77 Cb 0.00 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.30 1xfg s HIS 77 CO 0.01 -0.91 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 1xfg n GLY 78 N 4.36 1.91 3.75 -2.22 0.00 -1.24 -3.66 105.19 108.09 1xfg n GLY 78 Ca -0.05 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1xfg n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xfg s GLU 79 N -5.00 2.51 -0.01 1.61 -1.05 -1.26 -4.87 118.70 110.64 1xfg s GLU 79 Ca 0.00 1.61 -0.34 0.00 -0.15 0.00 0.00 54.97 56.09 1xfg s GLU 79 Cb 0.00 -1.89 -0.13 0.00 -0.44 0.00 0.00 34.13 31.67 1xfg s GLU 79 CO 0.00 -1.52 1.76 -2.30 0.95 0.00 0.00 175.26 174.16 1xfg n PRO 80 N -2.46 2.12 -3.55 -4.83 -0.02 -1.26 -4.74 135.00 120.26 1xfg n PRO 80 Ca 0.12 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1xfg n PRO 80 Cb 0.51 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1xfg n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xfg s SER 81 N 2.92 -0.37 0.33 2.55 1.04 -1.26 -5.01 113.70 113.90 1xfg s SER 81 Ca 0.88 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1xfg s SER 81 Cb -0.70 0.46 0.59 0.00 0.10 0.00 0.00 66.02 66.47 1xfg s SER 81 CO 0.47 -0.78 1.93 -0.08 0.98 0.00 0.00 173.24 175.77 1xfg h GLU 82 N 2.00 0.72 -0.25 4.02 4.81 -1.91 -2.06 114.58 121.91 1xfg h GLU 82 Ca -0.25 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1xfg h GLU 82 Cb 1.25 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1xfg h GLU 82 CO 0.31 0.58 0.01 0.28 -0.73 0.00 0.00 179.01 179.46 1xfg h VAL 83 N 0.72 1.15 0.00 0.32 2.07 -1.95 -2.64 116.25 115.91 1xfg h VAL 83 Ca 0.18 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1xfg h VAL 83 Cb 0.12 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xfg h VAL 83 CO -0.02 0.20 -0.73 0.59 0.02 0.00 0.00 177.57 177.63 1xfg n ASN 84 N -4.35 0.62 -4.72 0.57 3.02 -0.98 -4.71 115.26 104.71 1xfg n ASN 84 Ca 0.01 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.07 1xfg n ASN 84 Cb 0.20 0.42 0.10 0.00 -0.61 0.00 0.00 39.78 39.89 1xfg n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xfg s ALA 85 N -3.12 2.09 0.85 5.41 0.00 -0.81 -4.91 121.76 121.27 1xfg s ALA 85 Ca 0.07 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 1xfg s ALA 85 Cb 0.15 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.96 1xfg s ALA 85 CO 0.75 -1.93 1.17 -1.01 0.00 0.00 0.00 175.76 174.74 1xfg s HIS 86 N -1.96 1.46 0.19 0.00 3.76 -1.26 -4.43 115.29 113.05 1xfg s HIS 86 Ca 0.75 -0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 55.33 1xfg s HIS 86 Cb -0.30 -3.57 -0.17 0.00 1.11 0.00 0.00 32.58 29.66 1xfg s HIS 86 CO 0.46 -2.24 0.76 -2.30 -0.85 0.00 0.00 174.74 170.57 1xfg n PRO 87 N -3.32 0.41 -3.61 8.40 -0.02 -1.26 -3.47 135.00 132.12 1xfg n PRO 87 Ca 0.16 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 1xfg n PRO 87 Cb 0.60 -1.34 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 1xfg n PRO 87 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1xfg s HIS 88 N -0.79 3.48 0.16 6.00 3.76 -0.44 -4.88 115.29 122.59 1xfg s HIS 88 Ca 0.67 0.47 0.07 0.00 -0.15 0.00 0.00 55.06 56.13 1xfg s HIS 88 Cb -0.92 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 1xfg s HIS 88 CO 0.56 0.35 -0.15 0.14 -0.85 0.00 0.00 174.74 174.80 1xfg s VAL 89 N -1.85 1.57 -0.39 -0.90 -7.23 -1.26 -0.61 120.40 109.73 1xfg s VAL 89 Ca 0.40 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1xfg s VAL 89 Cb -0.11 -1.83 0.16 0.00 0.56 0.00 0.00 36.38 35.16 1xfg s VAL 89 CO 0.28 -0.50 0.40 -0.55 -0.31 0.00 0.00 175.10 174.42 1xfg s SER 90 N -2.90 0.99 1.49 4.85 0.15 0.51 -4.76 113.70 114.02 1xfg s SER 90 Ca 0.16 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1xfg s SER 90 Cb -0.03 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1xfg s SER 90 CO 0.05 -0.24 0.00 -0.62 1.20 0.00 0.00 173.24 173.63 1xfg n GLU 91 N 4.03 0.00 0.01 5.44 1.02 -1.26 -1.66 120.64 128.23 1xfg n GLU 91 Ca 0.13 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1xfg n GLU 91 Cb 0.46 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.34 1xfg n GLU 91 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1xfg n HIS 92 N 2.64 0.13 -3.03 -0.32 1.44 -1.26 -4.81 115.22 110.01 1xfg n HIS 92 Ca 0.00 0.04 -0.40 0.00 -2.01 0.00 0.00 57.72 55.35 1xfg n HIS 92 Cb 0.00 -0.48 -0.05 0.00 0.12 0.00 0.00 29.99 29.58 1xfg n HIS 92 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xfg s ILE 93 N -3.02 5.02 -0.04 0.61 -1.09 -0.66 -0.31 121.20 121.71 1xfg s ILE 93 Ca 0.12 1.43 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 1xfg s ILE 93 Cb 0.17 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1xfg s ILE 93 CO 0.60 0.20 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.69 1xfg s VAL 94 N 1.16 1.07 0.01 2.92 1.01 0.45 -0.37 120.40 126.66 1xfg s VAL 94 Ca 0.36 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1xfg s VAL 94 Cb -0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1xfg s VAL 94 CO 0.16 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 1xfg s VAL 95 N 0.24 0.49 0.13 2.92 1.01 0.22 -0.82 120.40 124.59 1xfg s VAL 95 Ca -0.06 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1xfg s VAL 95 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1xfg s VAL 95 CO 0.02 -0.08 -0.23 0.68 0.00 0.00 0.00 175.10 175.49 1xfg s VAL 96 N -0.63 1.97 -0.12 2.92 -7.23 -0.75 -1.32 120.40 115.23 1xfg s VAL 96 Ca -0.03 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1xfg s VAL 96 Cb -0.05 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.14 1xfg s VAL 96 CO 0.00 -0.03 0.30 -2.28 -0.31 0.00 0.00 175.10 172.78 1xfg s HIS 97 N -1.25 -0.38 -0.02 2.82 5.04 -1.26 -1.89 115.29 118.34 1xfg s HIS 97 Ca 0.11 0.89 0.03 0.00 -1.54 0.00 0.00 55.06 54.55 1xfg s HIS 97 Cb -0.09 0.12 -0.03 0.00 0.04 0.00 0.00 32.58 32.61 1xfg s HIS 97 CO 0.06 -0.23 -0.07 -0.80 -2.34 0.00 0.00 174.74 171.36 1xfg s ASN 98 N 0.84 4.58 0.00 9.88 0.01 0.45 -4.48 114.94 126.22 1xfg s ASN 98 Ca -0.06 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1xfg s ASN 98 Cb -0.07 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.52 1xfg s ASN 98 CO -0.06 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 1xfg n GLY 99 N 1.80 -1.04 2.85 0.66 0.00 -1.26 -0.96 105.19 107.23 1xfg n GLY 99 Ca -0.16 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 1xfg n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xfg s ILE 100 N 0.00 0.12 -0.57 -0.61 1.01 -0.94 -4.96 121.20 115.25 1xfg s ILE 100 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 1xfg s ILE 100 Cb 0.00 -0.17 0.09 0.00 0.01 0.00 0.00 42.46 42.39 1xfg s ILE 100 CO 0.00 0.09 0.69 -0.63 0.00 0.00 0.00 174.94 175.09 1xfg s ILE 101 N 0.53 4.81 0.38 2.92 -1.09 -1.26 -3.15 121.20 124.34 1xfg s ILE 101 Ca -0.05 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1xfg s ILE 101 Cb -0.07 -4.44 0.29 0.00 -1.58 0.00 0.00 42.46 36.65 1xfg s ILE 101 CO -0.01 -1.05 1.98 -0.33 -1.23 0.00 0.00 174.94 174.30 1xfg h GLU 102 N 9.15 0.64 -0.96 2.79 4.39 -0.68 -2.57 114.58 127.34 1xfg h GLU 102 Ca -0.29 -0.04 -0.60 0.00 0.34 0.00 0.00 59.36 58.78 1xfg h GLU 102 Cb 1.09 -0.15 -0.30 0.00 -0.10 0.00 0.00 28.75 29.30 1xfg h GLU 102 CO 1.07 0.43 0.69 0.27 -1.16 0.00 0.00 179.01 180.30 1xfg n ASN 103 N -4.47 5.99 0.24 1.42 6.94 -1.25 -4.67 115.26 119.46 1xfg n ASN 103 Ca 0.09 -3.73 0.09 0.00 -0.02 0.00 0.00 54.58 51.01 1xfg n ASN 103 Cb 0.21 -0.89 0.61 0.00 -2.36 0.00 0.00 39.78 37.35 1xfg n ASN 103 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1xfg h HIS 104 N 1.62 0.00 0.83 -2.53 2.07 -1.80 -3.12 115.15 112.23 1xfg h HIS 104 Ca 0.59 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.07 1xfg h HIS 104 Cb 1.60 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.59 1xfg h HIS 104 CO 1.45 0.17 -0.40 0.93 -3.07 0.00 0.00 177.93 177.02 1xfg h GLU 105 N 0.00 -1.08 -0.94 5.12 5.08 -1.88 0.49 114.58 121.38 1xfg h GLU 105 Ca -0.00 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1xfg h GLU 105 Cb 0.38 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1xfg h GLU 105 CO 0.02 -0.72 0.61 -1.00 -1.00 0.00 0.00 179.01 176.93 1xfg h PRO 106 N -1.29 1.07 -0.35 2.33 0.13 -1.96 -0.34 132.00 131.59 1xfg h PRO 106 Ca -0.11 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1xfg h PRO 106 Cb 0.86 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1xfg h PRO 106 CO 0.19 0.71 0.01 -0.07 -0.23 0.00 0.00 178.00 178.61 1xfg h LEU 107 N 1.10 0.59 -0.58 1.56 3.38 -1.47 -2.03 115.31 117.85 1xfg h LEU 107 Ca 0.40 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xfg h LEU 107 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1xfg h LEU 107 CO -0.15 0.74 0.37 -0.09 0.09 0.00 0.00 178.44 179.40 1xfg h ARG 108 N 0.42 0.73 -0.61 1.13 2.43 0.71 -1.09 114.38 118.10 1xfg h ARG 108 Ca 0.10 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1xfg h ARG 108 Cb 0.43 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 1xfg h ARG 108 CO 0.01 0.48 0.22 0.93 -1.51 0.00 0.00 179.97 180.11 1xfg h GLU 109 N 0.75 0.39 -0.36 0.20 4.39 -0.97 0.17 114.58 119.15 1xfg h GLU 109 Ca 0.22 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1xfg h GLU 109 Cb -0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1xfg h GLU 109 CO -0.07 0.26 0.21 0.93 -1.16 0.00 0.00 179.01 179.18 1xfg h GLU 110 N 0.40 0.49 -0.24 2.33 5.08 -0.65 -1.44 114.58 120.55 1xfg h GLU 110 Ca 0.31 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1xfg h GLU 110 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xfg h GLU 110 CO -0.31 0.38 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.65 1xfg h LEU 111 N 0.46 0.55 -0.51 1.33 3.38 -0.82 -0.28 115.31 119.42 1xfg h LEU 111 Ca 0.13 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1xfg h LEU 111 Cb 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1xfg h LEU 111 CO -0.02 0.86 0.29 0.11 0.09 0.00 0.00 178.44 179.76 1xfg h LYS 112 N 0.45 0.55 -0.45 1.13 1.57 -0.27 -0.27 116.57 119.29 1xfg h LYS 112 Ca 0.05 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1xfg h LYS 112 Cb 0.82 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1xfg h LYS 112 CO 0.07 0.36 0.31 0.00 -0.57 0.00 0.00 179.45 179.62 1xfg h ALA 113 N 1.25 1.99 0.00 3.86 0.00 -0.58 -0.13 119.26 125.65 1xfg h ALA 113 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xfg h ALA 113 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xfg h ALA 113 CO -0.12 -0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.59 1xfg n ARG 114 N -4.47 0.40 0.00 0.00 1.74 -0.18 -4.86 116.66 109.28 1xfg n ARG 114 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1xfg n ARG 114 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1xfg n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xfg n GLY 115 N 1.29 1.22 3.74 -0.13 0.00 -0.06 -5.08 105.19 106.19 1xfg n GLY 115 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1xfg n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfg s TYR 116 N -2.00 3.58 -0.22 1.61 2.02 -0.55 -5.01 117.35 116.78 1xfg s TYR 116 Ca 0.00 1.00 -0.16 0.00 -0.37 0.00 0.00 57.07 57.53 1xfg s TYR 116 Cb 0.00 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 1xfg s TYR 116 CO 0.00 0.26 0.42 0.99 -1.57 0.00 0.00 175.55 175.65 1xfg s THR 117 N 0.24 5.17 -0.11 -0.71 2.01 -1.26 -4.12 115.64 116.87 1xfg s THR 117 Ca 0.28 0.73 -0.26 0.00 0.31 0.00 0.00 61.69 62.74 1xfg s THR 117 Cb -0.16 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1xfg s THR 117 CO 0.13 0.21 0.85 -0.36 -0.69 0.00 0.00 174.62 174.76 1xfg s PHE 118 N 1.55 3.51 -0.16 4.92 0.40 -1.26 -4.92 117.98 122.02 1xfg s PHE 118 Ca 0.19 1.37 0.22 0.00 -0.60 0.00 0.00 56.93 58.11 1xfg s PHE 118 Cb -0.15 -3.00 -0.20 0.00 0.51 0.00 0.00 43.02 40.17 1xfg s PHE 118 CO 0.08 -0.12 0.71 1.33 0.70 0.00 0.00 175.22 177.92 1xfg n VAL 119 N 4.34 0.21 -4.00 -0.44 0.24 -1.26 -5.00 118.33 112.42 1xfg n VAL 119 Ca 0.04 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.34 61.61 1xfg n VAL 119 Cb 0.50 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 1xfg n VAL 119 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xfg s SER 120 N -4.71 4.58 -0.08 -1.34 1.04 -1.26 -4.96 113.70 106.96 1xfg s SER 120 Ca -0.04 -1.04 0.16 0.00 0.48 0.00 0.00 55.95 55.50 1xfg s SER 120 Cb 0.13 -0.36 0.60 0.00 0.10 0.00 0.00 66.02 66.48 1xfg s SER 120 CO 0.86 -0.65 1.48 -0.62 0.98 0.00 0.00 173.24 175.30 1xfg n GLU 121 N -1.37 3.18 -3.02 4.02 4.71 -1.26 -4.99 120.64 121.90 1xfg n GLU 121 Ca -0.01 -2.36 -0.30 0.00 -0.01 0.00 0.00 57.16 54.49 1xfg n GLU 121 Cb 0.64 -1.75 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 1xfg n GLU 121 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1xfg s THR 122 N -1.73 4.86 0.26 2.62 -4.23 -1.24 -3.70 115.64 112.48 1xfg s THR 122 Ca 0.42 0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1xfg s THR 122 Cb 0.27 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.45 1xfg s THR 122 CO 0.21 -0.44 1.72 -2.24 -0.54 0.00 0.00 174.62 173.33 1xfg h ASP 123 N 1.43 0.63 -1.04 3.99 2.03 -1.92 -3.26 116.42 118.28 1xfg h ASP 123 Ca -0.47 -0.20 0.28 0.00 -0.73 0.00 0.00 57.03 55.91 1xfg h ASP 123 Cb 1.19 -0.17 -0.12 0.00 -0.83 0.00 0.00 39.33 39.40 1xfg h ASP 123 CO 0.65 0.81 0.63 0.74 -1.03 0.00 0.00 179.24 181.04 1xfg h THR 124 N 0.57 0.46 0.00 1.15 2.02 -1.92 -1.20 112.91 113.99 1xfg h THR 124 Ca 0.09 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1xfg h THR 124 Cb 0.61 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xfg h THR 124 CO 0.04 0.08 -0.13 -0.08 0.37 0.00 0.00 175.52 175.81 1xfg h GLU 125 N 0.44 0.00 -0.52 6.66 4.81 -1.96 -0.25 114.58 123.76 1xfg h GLU 125 Ca 0.66 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.84 1xfg h GLU 125 Cb 1.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.84 1xfg h GLU 125 CO -0.44 0.13 0.14 -0.39 -0.73 0.00 0.00 179.01 177.72 1xfg h VAL 126 N 0.00 1.21 -0.56 0.32 -1.51 -1.42 -2.14 116.25 112.16 1xfg h VAL 126 Ca -0.00 -0.76 0.05 0.00 -1.23 0.00 0.00 66.70 64.77 1xfg h VAL 126 Cb 0.40 0.67 -0.05 0.00 -2.13 0.00 0.00 31.29 30.18 1xfg h VAL 126 CO 0.02 0.28 0.28 0.40 -1.23 0.00 0.00 177.57 177.32 1xfg h ILE 127 N 0.76 0.93 -0.06 7.19 2.04 -1.16 -1.56 117.51 125.66 1xfg h ILE 127 Ca 0.17 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xfg h ILE 127 Cb 0.26 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1xfg h ILE 127 CO -0.00 0.10 0.01 0.00 0.00 0.00 0.00 178.15 178.25 1xfg h ALA 128 N 1.31 0.08 -0.36 1.87 0.00 -1.46 -0.84 119.26 119.86 1xfg h ALA 128 Ca 0.25 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xfg h ALA 128 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xfg h ALA 128 CO -0.18 -0.27 -0.23 0.45 0.00 0.00 0.00 179.25 179.01 1xfg h HIS 129 N -0.14 0.81 -0.52 0.00 3.86 -1.29 -1.01 115.15 116.84 1xfg h HIS 129 Ca 0.02 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 1xfg h HIS 129 Cb 0.28 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1xfg h HIS 129 CO 0.02 0.88 0.04 1.25 0.86 0.00 0.00 177.93 180.98 1xfg h LEU 130 N 0.62 0.87 -0.79 2.43 5.85 -1.22 0.38 115.31 123.46 1xfg h LEU 130 Ca 0.09 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1xfg h LEU 130 Cb 0.73 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1xfg h LEU 130 CO 0.06 0.94 -0.18 0.58 -0.34 0.00 0.00 178.44 179.50 1xfg h VAL 131 N 0.77 1.26 -0.52 1.05 2.07 -0.92 0.36 116.25 120.32 1xfg h VAL 131 Ca 0.15 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1xfg h VAL 131 Cb 0.47 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1xfg h VAL 131 CO 0.02 0.42 0.31 -1.13 0.02 0.00 0.00 177.57 177.21 1xfg h ASN 132 N 0.65 0.51 0.55 0.57 -0.73 -0.81 -0.03 115.58 116.29 1xfg h ASN 132 Ca 0.10 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 1xfg h ASN 132 Cb 0.66 -0.10 0.01 0.00 0.27 0.00 0.00 38.32 39.15 1xfg h ASN 132 CO 0.05 0.36 -0.26 -0.25 -0.37 0.00 0.00 177.43 176.95 1xfg h TRP 133 N 0.62 -0.69 -0.96 0.67 2.91 0.52 -2.00 115.95 117.04 1xfg h TRP 133 Ca 0.21 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.34 1xfg h TRP 133 Cb 0.02 0.23 -0.09 0.00 -0.51 0.00 0.00 29.16 28.81 1xfg h TRP 133 CO -0.06 -0.43 0.59 0.93 -1.03 0.00 0.00 178.44 178.44 1xfg h GLU 134 N -0.74 0.88 -0.26 2.65 4.39 -0.81 -2.08 114.58 118.62 1xfg h GLU 134 Ca -0.08 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1xfg h GLU 134 Cb 0.57 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1xfg h GLU 134 CO 0.12 0.58 -0.18 1.25 -1.16 0.00 0.00 179.01 179.63 1xfg h LEU 135 N 0.91 0.44 -2.13 1.33 5.85 -0.62 -1.00 115.31 120.09 1xfg h LEU 135 Ca 0.48 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1xfg h LEU 135 Cb 0.51 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1xfg h LEU 135 CO -0.28 0.64 -0.04 0.11 -0.34 0.00 0.00 178.44 178.53 1xfg h LYS 136 N 0.41 0.00 0.00 1.25 1.57 -0.64 -1.17 116.57 117.99 1xfg h LYS 136 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xfg h LYS 136 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1xfg h LYS 136 CO 0.04 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.99 1xfg n GLN 137 N -4.15 0.64 0.00 3.15 1.13 -0.38 -4.98 117.38 112.80 1xfg n GLN 137 Ca -0.03 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1xfg n GLN 137 Cb 0.12 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1xfg n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xfg n GLY 138 N 0.46 2.54 0.00 1.08 0.00 -0.44 -5.13 105.19 103.71 1xfg n GLY 138 Ca 0.16 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1xfg n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfg n GLY 139 N 1.08 -3.89 3.92 -0.02 0.00 -1.26 -4.72 105.19 100.30 1xfg n GLY 139 Ca 0.00 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 1xfg n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xfg s THR 140 N -0.99 2.10 0.25 2.61 -4.23 -1.26 -4.85 115.64 109.26 1xfg s THR 140 Ca 0.00 -0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1xfg s THR 140 Cb 0.00 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.12 1xfg s THR 140 CO 0.00 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.22 1xfg h LEU 141 N -1.00 1.04 -0.40 4.79 5.85 -1.98 -1.12 115.31 122.50 1xfg h LEU 141 Ca -0.45 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1xfg h LEU 141 Cb 1.30 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1xfg h LEU 141 CO 0.57 0.70 0.13 -0.09 -0.34 0.00 0.00 178.44 179.41 1xfg h ARG 142 N 1.21 0.27 -0.48 1.25 2.43 -1.98 0.33 114.38 117.41 1xfg h ARG 142 Ca 0.39 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1xfg h ARG 142 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1xfg h ARG 142 CO -0.13 0.18 0.13 0.93 -1.51 0.00 0.00 179.97 179.56 1xfg h GLU 143 N 0.28 0.76 -0.60 0.20 5.08 -1.81 0.87 114.58 119.36 1xfg h GLU 143 Ca 0.19 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1xfg h GLU 143 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1xfg h GLU 143 CO -0.20 0.73 0.39 0.00 -1.00 0.00 0.00 179.01 178.94 1xfg h ALA 144 N 0.99 0.77 -0.46 3.43 0.00 -0.84 -1.51 119.26 121.64 1xfg h ALA 144 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xfg h ALA 144 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xfg h ALA 144 CO -0.00 0.18 -0.09 0.28 0.00 0.00 0.00 179.25 179.61 1xfg h VAL 145 N 0.80 1.26 -0.44 0.00 2.07 -0.67 -0.49 116.25 118.77 1xfg h VAL 145 Ca 0.23 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1xfg h VAL 145 Cb -0.07 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1xfg h VAL 145 CO -0.06 0.40 0.29 -0.07 0.02 0.00 0.00 177.57 178.16 1xfg h LEU 146 N 0.75 0.51 -0.17 2.57 3.38 -0.38 -0.37 115.31 121.60 1xfg h LEU 146 Ca 0.13 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 1xfg h LEU 146 Cb 0.59 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xfg h LEU 146 CO 0.04 0.37 -0.93 0.03 0.09 0.00 0.00 178.44 178.03 1xfg h ARG 147 N 0.60 0.47 -0.27 1.13 3.08 -0.78 -3.35 114.38 115.26 1xfg h ARG 147 Ca 0.16 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1xfg h ARG 147 Cb -0.07 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1xfg h ARG 147 CO -0.04 1.13 -0.01 0.00 -1.07 0.00 0.00 179.97 179.99 1xfg h ALA 148 N 0.70 0.36 -0.54 0.04 0.00 -0.55 -3.36 119.26 115.90 1xfg h ALA 148 Ca -0.08 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1xfg h ALA 148 Cb 1.57 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1xfg h ALA 148 CO 0.17 0.11 0.26 0.82 0.00 0.00 0.00 179.25 180.60 1xfg h ILE 149 N 0.26 0.91 0.00 0.00 1.08 -1.21 -0.02 117.51 118.52 1xfg h ILE 149 Ca 0.07 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1xfg h ILE 149 Cb 0.44 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1xfg h ILE 149 CO 0.02 0.09 -0.03 -0.65 -0.69 0.00 0.00 178.15 176.88 1xfg h PRO 150 N 0.49 0.00 0.00 2.37 0.11 -1.76 0.96 132.00 134.17 1xfg h PRO 150 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1xfg h PRO 150 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1xfg h PRO 150 CO -0.20 0.03 0.00 1.96 -0.21 0.00 0.00 178.00 179.59 1xfg h GLN 151 N 0.00 0.00 -6.06 1.05 4.20 -1.16 -3.44 115.11 109.70 1xfg h GLN 151 Ca -0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1xfg h GLN 151 Cb 0.14 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1xfg h GLN 151 CO 0.00 0.00 -0.06 -0.51 -0.67 0.00 0.00 178.83 177.59 1xfg s LEU 152 N -5.74 4.43 0.04 1.46 1.43 0.33 -5.00 118.68 115.63 1xfg s LEU 152 Ca 0.05 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 1xfg s LEU 152 Cb 0.08 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1xfg s LEU 152 CO 0.57 0.15 -0.21 -0.13 0.23 0.00 0.00 176.35 176.96 1xfg s ARG 153 N -0.39 1.99 0.00 1.70 1.81 -1.26 -5.01 118.95 117.78 1xfg s ARG 153 Ca 0.29 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 1xfg s ARG 153 Cb -0.18 -2.11 0.00 0.00 -0.45 0.00 0.00 34.95 32.21 1xfg s ARG 153 CO 0.16 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.73 1xfg n GLY 154 N 1.71 0.90 3.21 -3.53 0.00 -1.26 0.13 105.19 106.35 1xfg n GLY 154 Ca -0.16 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 1xfg n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfg s ALA 155 N -1.12 3.09 0.18 4.61 0.00 -1.19 -4.73 121.76 122.61 1xfg s ALA 155 Ca 0.00 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.74 1xfg s ALA 155 Cb 0.00 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1xfg s ALA 155 CO 0.00 -1.54 0.42 1.52 0.00 0.00 0.00 175.76 176.16 1xfg s TYR 156 N 1.30 0.13 -0.01 0.00 -0.85 0.75 -2.21 117.35 116.46 1xfg s TYR 156 Ca 0.02 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 1xfg s TYR 156 Cb -0.21 0.19 0.01 0.00 0.38 0.00 0.00 41.96 42.33 1xfg s TYR 156 CO -0.00 -0.84 -0.01 0.20 -1.52 0.00 0.00 175.55 173.38 1xfg s GLY 157 N -2.92 0.12 -0.01 5.49 0.00 -0.13 -0.14 107.32 109.72 1xfg s GLY 157 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.79 1xfg s GLY 157 CO -0.01 0.17 0.19 -1.08 0.00 0.00 0.00 173.10 172.37 1xfg s THR 158 N 0.33 0.06 -0.05 0.90 -1.32 -0.62 -0.41 115.64 114.53 1xfg s THR 158 Ca -0.03 -0.54 0.04 0.00 -1.21 0.00 0.00 61.69 59.96 1xfg s THR 158 Cb -0.05 -0.45 -0.00 0.00 -1.51 0.00 0.00 72.50 70.49 1xfg s THR 158 CO -0.01 -0.29 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.24 1xfg s VAL 159 N -1.13 1.52 0.02 5.08 1.01 -0.79 -1.11 120.40 124.98 1xfg s VAL 159 Ca -0.12 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1xfg s VAL 159 Cb -0.06 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1xfg s VAL 159 CO 0.02 0.44 -0.16 -0.63 0.00 0.00 0.00 175.10 174.77 1xfg s ILE 160 N 0.09 1.26 0.09 2.22 1.01 0.12 -1.82 121.20 124.17 1xfg s ILE 160 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1xfg s ILE 160 Cb -0.13 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1xfg s ILE 160 CO 0.03 0.20 -0.03 0.00 0.00 0.00 0.00 174.94 175.14 1xfg s MET 161 N -0.77 0.77 -0.26 2.79 0.23 -0.00 -1.55 119.30 120.50 1xfg s MET 161 Ca 0.05 -1.31 0.01 0.00 -1.03 0.00 0.00 55.69 53.41 1xfg s MET 161 Cb -0.07 0.01 0.05 0.00 -1.53 0.00 0.00 34.83 33.28 1xfg s MET 161 CO 0.00 -0.09 -0.08 0.34 -2.03 0.00 0.00 175.02 173.16 1xfg s ASP 162 N -3.00 4.44 0.60 -1.18 -1.08 -1.26 -0.41 116.67 114.77 1xfg s ASP 162 Ca 0.12 -1.24 0.40 0.00 -0.52 0.00 0.00 52.55 51.31 1xfg s ASP 162 Cb 0.07 -1.60 2.06 0.00 -1.46 0.00 0.00 42.92 41.99 1xfg s ASP 162 CO -0.06 -0.18 2.21 0.77 0.52 0.00 0.00 175.17 178.43 1xfg h SER 163 N 7.87 0.00 1.44 -0.34 4.64 -1.03 0.10 113.55 126.24 1xfg h SER 163 Ca -0.23 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1xfg h SER 163 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1xfg h SER 163 CO 0.51 0.00 -0.17 0.03 -0.87 0.00 0.00 176.83 176.33 1xfg h ARG 164 N 0.00 0.00 -2.47 4.77 3.08 -1.84 -3.37 114.38 114.55 1xfg h ARG 164 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1xfg h ARG 164 Cb 0.11 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.77 1xfg h ARG 164 CO 0.00 0.17 -0.88 0.72 -1.07 0.00 0.00 179.97 178.91 1xfg n HIS 165 N -3.20 0.37 1.41 3.04 8.25 0.34 -4.86 115.22 120.58 1xfg n HIS 165 Ca 0.02 -3.62 0.00 0.00 -0.26 0.00 0.00 57.72 53.86 1xfg n HIS 165 Cb 0.51 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1xfg n HIS 165 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xfg n PRO 166 N 2.32 0.92 -0.01 -0.41 -0.04 -1.21 -3.49 135.00 133.08 1xfg n PRO 166 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1xfg n PRO 166 Cb 0.45 -1.21 0.38 0.00 -0.04 0.00 0.00 33.50 33.08 1xfg n PRO 166 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xfg n ASP 167 N -0.25 2.01 -3.86 3.54 5.68 -1.26 -4.73 116.55 117.68 1xfg n ASP 167 Ca 0.00 -1.68 -0.12 0.00 -0.50 0.00 0.00 54.79 52.50 1xfg n ASP 167 Cb 0.11 -0.01 -0.12 0.00 -1.14 0.00 0.00 41.12 39.95 1xfg n ASP 167 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xfg s THR 168 N -1.97 0.02 0.01 2.12 2.01 -1.23 -4.37 115.64 112.23 1xfg s THR 168 Ca 0.35 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1xfg s THR 168 Cb 0.21 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.50 1xfg s THR 168 CO 0.32 -0.09 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.19 1xfg s LEU 169 N -0.27 2.44 0.01 4.42 1.43 0.04 -4.56 118.68 122.20 1xfg s LEU 169 Ca -0.03 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1xfg s LEU 169 Cb -0.02 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1xfg s LEU 169 CO 0.00 0.29 -0.12 -0.76 0.23 0.00 0.00 176.35 175.99 1xfg s LEU 170 N -1.09 2.91 0.00 1.79 2.01 -0.60 -0.64 118.68 123.07 1xfg s LEU 170 Ca 0.12 -0.26 -0.02 0.00 0.01 0.00 0.00 54.13 53.99 1xfg s LEU 170 Cb -0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 1xfg s LEU 170 CO 0.02 0.28 0.04 0.00 1.01 0.00 0.00 176.35 177.70 1xfg s ALA 171 N -0.94 -0.07 -0.02 4.21 0.00 0.38 0.14 121.76 125.46 1xfg s ALA 171 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1xfg s ALA 171 Cb -0.11 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1xfg s ALA 171 CO 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.71 1xfg s ALA 172 N -0.84 0.20 -0.22 0.00 0.00 -0.27 -0.11 121.76 120.52 1xfg s ALA 172 Ca -0.09 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 1xfg s ALA 172 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1xfg s ALA 172 CO -0.00 -0.05 0.02 0.50 0.00 0.00 0.00 175.76 176.22 1xfg s ARG 173 N 0.73 3.58 -0.42 0.00 3.52 -0.64 -1.58 118.95 124.14 1xfg s ARG 173 Ca -0.07 -0.53 0.09 0.00 -0.13 0.00 0.00 55.73 55.09 1xfg s ARG 173 Cb -0.10 -3.15 0.35 0.00 -1.56 0.00 0.00 34.95 30.49 1xfg s ARG 173 CO -0.02 -0.11 1.05 0.45 -0.81 0.00 0.00 175.30 175.86 1xfg n SER 174 N 4.61 -1.19 0.00 -2.12 2.88 0.80 -0.69 113.62 117.90 1xfg n SER 174 Ca -0.17 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 1xfg n SER 174 Cb 0.51 0.96 0.00 0.00 -0.75 0.00 0.00 64.21 64.94 1xfg n SER 174 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfg n GLY 175 N 0.16 0.91 2.96 0.46 0.00 -1.16 -0.18 105.19 108.34 1xfg n GLY 175 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1xfg n GLY 175 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xfg s SER 176 N -0.95 -0.01 0.44 1.61 0.15 -1.16 -4.34 113.70 109.45 1xfg s SER 176 Ca 0.00 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.41 1xfg s SER 176 Cb 0.00 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.36 1xfg s SER 176 CO 0.00 -0.11 1.09 -2.84 1.20 0.00 0.00 173.24 172.59 1xfg s PRO 177 N -0.37 3.92 -0.06 5.44 0.02 -1.26 -4.43 135.00 138.26 1xfg s PRO 177 Ca -0.04 1.59 -0.10 0.00 0.02 0.00 0.00 61.00 62.47 1xfg s PRO 177 Cb -0.03 -2.40 0.02 0.00 0.02 0.00 0.00 34.50 32.11 1xfg s PRO 177 CO 0.00 -0.37 0.26 -0.51 -0.33 0.00 0.00 177.00 176.05 1xfg s LEU 178 N -2.96 1.05 0.01 -5.54 1.43 -1.26 -4.46 118.68 106.95 1xfg s LEU 178 Ca 0.62 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1xfg s LEU 178 Cb -0.24 0.97 -0.01 0.00 0.03 0.00 0.00 46.19 46.94 1xfg s LEU 178 CO 0.29 -0.23 -0.03 0.54 0.23 0.00 0.00 176.35 177.14 1xfg s VAL 179 N -0.51 0.22 -0.15 -1.59 0.11 0.27 -2.29 120.40 116.46 1xfg s VAL 179 Ca -0.06 -0.35 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1xfg s VAL 179 Cb -0.04 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1xfg s VAL 179 CO 0.02 -0.09 0.13 -0.63 -3.33 0.00 0.00 175.10 171.19 1xfg s ILE 180 N -0.45 5.39 -0.14 7.04 1.01 0.66 -0.77 121.20 133.95 1xfg s ILE 180 Ca -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1xfg s ILE 180 Cb -0.04 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1xfg s ILE 180 CO -0.00 0.55 -0.03 -0.83 0.00 0.00 0.00 174.94 174.63 1xfg s GLY 181 N -0.49 1.75 -0.24 6.18 0.00 0.14 -0.39 107.32 114.27 1xfg s GLY 181 Ca 0.12 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 1xfg s GLY 181 CO 0.02 -0.22 0.35 1.08 0.00 0.00 0.00 173.10 174.33 1xfg s LEU 182 N 0.01 4.09 0.00 0.66 1.43 0.40 -0.31 118.68 124.96 1xfg s LEU 182 Ca 0.01 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1xfg s LEU 182 Cb -0.13 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1xfg s LEU 182 CO 0.02 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1xfg n GLY 183 N 4.37 3.23 3.37 -3.19 0.00 0.40 -4.57 105.19 108.81 1xfg n GLY 183 Ca -0.09 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 1xfg n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xfg s MET 184 N -2.01 2.99 -1.06 1.61 1.00 -1.26 -4.17 119.30 116.41 1xfg s MET 184 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 55.69 54.28 1xfg s MET 184 Cb -0.00 -4.18 0.00 0.00 0.00 0.00 0.00 34.83 30.65 1xfg s MET 184 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 175.02 174.29 1xfg n GLY 185 N 5.22 1.13 3.41 -0.03 0.00 -1.26 -4.99 105.19 108.67 1xfg n GLY 185 Ca -0.12 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1xfg n GLY 185 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xfg s GLU 186 N -2.74 1.06 0.09 1.61 -1.05 -1.03 -4.26 118.70 112.39 1xfg s GLU 186 Ca 0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.63 1xfg s GLU 186 Cb 0.00 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 1xfg s GLU 186 CO 0.00 -0.39 -0.07 -0.80 0.95 0.00 0.00 175.26 174.95 1xfg s ASN 187 N -1.98 1.11 0.22 0.83 0.01 -0.53 -0.45 114.94 114.14 1xfg s ASN 187 Ca -0.05 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 1xfg s ASN 187 Cb -0.01 0.09 -0.05 0.00 0.41 0.00 0.00 41.25 41.70 1xfg s ASN 187 CO -0.02 -0.44 0.09 -0.36 -1.51 0.00 0.00 177.10 174.86 1xfg s PHE 188 N -3.42 1.31 -0.03 2.20 0.08 0.58 -0.97 117.98 117.73 1xfg s PHE 188 Ca 0.10 -1.24 -0.11 0.00 0.12 0.00 0.00 56.93 55.80 1xfg s PHE 188 Cb 0.04 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1xfg s PHE 188 CO -0.04 -0.45 0.24 -1.50 -0.10 0.00 0.00 175.22 173.37 1xfg s ILE 189 N -3.91 0.05 0.21 0.64 2.07 -0.59 -0.68 121.20 118.98 1xfg s ILE 189 Ca 0.35 -0.41 -0.15 0.00 -1.41 0.00 0.00 60.65 59.03 1xfg s ILE 189 Cb 0.07 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.20 1xfg s ILE 189 CO 0.11 -0.22 0.49 0.00 -1.91 0.00 0.00 174.94 173.40 1xfg s ALA 190 N -0.92 -0.63 -1.60 1.50 0.00 0.05 -0.31 121.76 119.86 1xfg s ALA 190 Ca -0.10 -0.50 0.28 0.00 0.00 0.00 0.00 51.96 51.65 1xfg s ALA 190 Cb -0.05 0.90 1.12 0.00 0.00 0.00 0.00 23.12 25.09 1xfg s ALA 190 CO 0.02 -0.81 1.80 -1.13 0.00 0.00 0.00 175.76 175.64 1xfg n SER 191 N -0.34 0.53 -3.69 0.00 3.41 -0.34 -0.57 113.62 112.63 1xfg n SER 191 Ca -0.07 -0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 57.88 1xfg n SER 191 Cb 0.62 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1xfg n SER 191 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xfg s ASP 192 N -2.53 -0.55 0.58 4.04 -1.08 -1.26 -4.52 116.67 111.34 1xfg s ASP 192 Ca 0.27 0.97 0.28 0.00 -0.52 0.00 0.00 52.55 53.54 1xfg s ASP 192 Cb 0.20 0.88 1.51 0.00 -1.46 0.00 0.00 42.92 44.05 1xfg s ASP 192 CO 0.49 -0.19 1.97 0.06 0.52 0.00 0.00 175.17 178.02 1xfg h GLN 193 N 6.71 0.00 -0.13 4.34 3.07 -1.93 -2.06 115.11 125.11 1xfg h GLN 193 Ca -0.34 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.42 1xfg h GLN 193 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 1xfg h GLN 193 CO 0.26 0.00 0.09 -0.07 0.09 0.00 0.00 178.83 179.20 1xfg h LEU 194 N 0.00 0.09 -1.74 0.06 3.38 -1.95 -1.33 115.31 113.82 1xfg h LEU 194 Ca 0.19 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xfg h LEU 194 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1xfg h LEU 194 CO -0.00 0.07 -0.17 0.00 0.09 0.00 0.00 178.44 178.42 1xfg h ALA 195 N 1.93 1.43 0.00 1.53 0.00 -1.66 -3.26 119.26 119.23 1xfg h ALA 195 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xfg h ALA 195 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xfg h ALA 195 CO -0.01 0.21 -0.89 1.28 0.00 0.00 0.00 179.25 179.85 1xfg n LEU 196 N -3.91 0.88 -0.34 0.00 4.77 -0.51 -4.25 117.00 113.64 1xfg n LEU 196 Ca -0.02 -0.50 0.23 0.00 -0.03 0.00 0.00 56.01 55.70 1xfg n LEU 196 Cb 0.26 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.85 1xfg n LEU 196 CO 0.33 0.22 1.21 -0.07 -1.33 0.00 0.00 177.39 177.75 1xfg h LEU 197 N 0.00 0.47 -1.88 2.23 3.38 -1.59 0.33 115.31 118.25 1xfg h LEU 197 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xfg h LEU 197 Cb 0.44 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xfg h LEU 197 CO 0.00 0.06 0.00 -0.65 0.09 0.00 0.00 178.44 177.94 1xfg h PRO 198 N 0.39 0.00 0.00 1.13 0.11 -1.85 -3.26 132.00 128.52 1xfg h PRO 198 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1xfg h PRO 198 Cb 1.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.68 1xfg h PRO 198 CO -0.35 0.00 -0.75 1.33 -0.21 0.00 0.00 178.00 178.02 1xfg n VAL 199 N -2.65 0.00 -3.47 3.15 0.24 -0.00 -5.08 118.33 110.52 1xfg n VAL 199 Ca -0.01 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1xfg n VAL 199 Cb 0.11 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 1xfg n VAL 199 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xfg s THR 200 N -1.67 0.01 -0.01 3.34 -1.32 -0.55 -4.92 115.64 110.51 1xfg s THR 200 Ca 0.00 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.44 1xfg s THR 200 Cb 0.00 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1xfg s THR 200 CO 0.00 -0.03 1.01 0.54 -2.21 0.00 0.00 174.62 173.93 1xfg n ARG 201 N 0.03 2.79 -4.78 7.08 5.12 -1.26 -3.87 116.66 121.77 1xfg n ARG 201 Ca -0.18 -1.60 -0.33 0.00 -1.93 0.00 0.00 57.85 53.81 1xfg n ARG 201 Cb 0.62 -1.05 -0.15 0.00 -1.16 0.00 0.00 32.46 30.72 1xfg n ARG 201 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1xfg s ARG 202 N -1.19 3.22 0.06 5.56 0.52 -1.26 0.67 118.95 126.53 1xfg s ARG 202 Ca 0.03 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.52 1xfg s ARG 202 Cb 0.03 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 1xfg s ARG 202 CO 0.00 0.11 -0.12 -0.06 0.02 0.00 0.00 175.30 175.25 1xfg s PHE 203 N 0.56 1.06 -0.19 -0.53 0.08 0.44 -0.45 117.98 118.94 1xfg s PHE 203 Ca -0.10 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.49 1xfg s PHE 203 Cb -0.16 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1xfg s PHE 203 CO 0.04 0.02 -0.16 0.42 -0.10 0.00 0.00 175.22 175.44 1xfg s ILE 204 N -1.24 2.44 -0.13 0.64 1.01 0.48 -0.17 121.20 124.22 1xfg s ILE 204 Ca -0.04 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 1xfg s ILE 204 Cb -0.10 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1xfg s ILE 204 CO 0.02 0.51 0.84 -0.36 0.00 0.00 0.00 174.94 175.94 1xfg s PHE 205 N 1.33 3.47 0.53 3.97 0.40 -1.26 -0.25 117.98 126.17 1xfg s PHE 205 Ca 0.05 1.32 -0.18 0.00 -0.60 0.00 0.00 56.93 57.52 1xfg s PHE 205 Cb -0.13 -3.01 -0.07 0.00 0.51 0.00 0.00 43.02 40.32 1xfg s PHE 205 CO -0.10 -0.17 1.04 -0.51 0.70 0.00 0.00 175.22 176.18 1xfg s LEU 206 N 1.84 3.70 0.32 -0.37 1.43 -0.97 -4.93 118.68 119.70 1xfg s LEU 206 Ca 0.40 1.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 1xfg s LEU 206 Cb -0.17 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 1xfg s LEU 206 CO 0.15 -0.91 0.41 -1.61 0.23 0.00 0.00 176.35 174.62 1xfg s GLU 207 N -3.62 3.05 0.18 1.70 2.02 -1.26 -4.76 118.70 116.00 1xfg s GLU 207 Ca 0.65 -1.06 -0.33 0.00 0.02 0.00 0.00 54.97 54.26 1xfg s GLU 207 Cb -0.16 -2.74 -0.13 0.00 0.10 0.00 0.00 34.13 31.21 1xfg s GLU 207 CO 0.27 0.11 1.69 -1.91 0.02 0.00 0.00 175.26 175.44 1xfg n GLU 208 N -1.54 2.54 -0.18 1.61 4.07 -1.26 -1.63 120.64 124.25 1xfg n GLU 208 Ca -0.02 0.92 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1xfg n GLU 208 Cb 0.58 -2.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1xfg n GLU 208 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xfg n GLY 209 N 3.81 0.76 3.77 8.31 0.00 0.13 -5.02 105.19 116.95 1xfg n GLY 209 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1xfg n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xfg s ASP 210 N -2.84 6.95 -0.09 1.61 1.01 -0.65 -4.02 116.67 118.65 1xfg s ASP 210 Ca 0.00 2.09 0.02 0.00 0.71 0.00 0.00 52.55 55.38 1xfg s ASP 210 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.34 1xfg s ASP 210 CO 0.00 -0.36 -0.16 -0.63 0.21 0.00 0.00 175.17 174.24 1xfg s ILE 211 N -1.50 1.47 -0.06 0.77 1.01 0.89 -1.62 121.20 122.15 1xfg s ILE 211 Ca 0.53 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.58 1xfg s ILE 211 Cb -0.25 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1xfg s ILE 211 CO 0.31 0.43 -0.24 0.00 0.00 0.00 0.00 174.94 175.44 1xfg s ALA 212 N 0.72 2.18 -0.26 9.38 0.00 0.85 -0.36 121.76 134.27 1xfg s ALA 212 Ca -0.12 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 1xfg s ALA 212 Cb -0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1xfg s ALA 212 CO 0.03 0.40 0.13 -2.00 0.00 0.00 0.00 175.76 174.32 1xfg s GLU 213 N -0.09 3.83 -0.13 0.00 2.12 0.47 -0.47 118.70 124.42 1xfg s GLU 213 Ca -0.06 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1xfg s GLU 213 Cb -0.14 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1xfg s GLU 213 CO 0.04 -0.14 -0.22 0.42 -0.54 0.00 0.00 175.26 174.83 1xfg s ILE 214 N 1.57 2.17 0.24 -3.70 1.01 0.19 -1.04 121.20 121.65 1xfg s ILE 214 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1xfg s ILE 214 Cb -0.15 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 1xfg s ILE 214 CO 0.07 0.55 0.01 0.35 0.00 0.00 0.00 174.94 175.92 1xfg n THR 215 N 3.87 0.00 0.25 2.92 -2.24 0.07 -0.78 114.28 118.37 1xfg n THR 215 Ca -0.19 -1.19 0.11 0.00 -2.27 0.00 0.00 64.05 60.50 1xfg n THR 215 Cb 0.52 0.28 0.68 0.00 -2.10 0.00 0.00 70.33 69.70 1xfg n THR 215 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1xfg h ARG 216 N 0.00 0.00 -0.00 -0.78 3.08 -1.79 -3.25 114.38 111.65 1xfg h ARG 216 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1xfg h ARG 216 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xfg h ARG 216 CO 0.33 0.13 -0.05 0.54 -1.07 0.00 0.00 179.97 179.85 1xfg n ARG 217 N -3.86 2.83 -3.69 0.04 5.12 -1.26 -2.46 116.66 113.39 1xfg n ARG 217 Ca -0.02 -0.32 -0.13 0.00 -1.93 0.00 0.00 57.85 55.45 1xfg n ARG 217 Cb 0.23 -0.82 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 1xfg n ARG 217 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1xfg s SER 218 N -0.69 -0.26 -0.09 0.55 1.04 -1.22 -5.04 113.70 107.98 1xfg s SER 218 Ca 0.02 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1xfg s SER 218 Cb 0.02 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1xfg s SER 218 CO 0.05 -0.62 -0.09 -0.69 0.98 0.00 0.00 173.24 172.88 1xfg s VAL 219 N -2.23 1.00 -0.08 5.02 1.01 -1.26 -0.75 120.40 123.10 1xfg s VAL 219 Ca -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1xfg s VAL 219 Cb -0.01 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1xfg s VAL 219 CO -0.01 0.35 -0.13 0.20 0.00 0.00 0.00 175.10 175.51 1xfg s ASN 220 N 1.30 2.04 0.02 3.32 0.01 -0.20 -4.99 114.94 116.42 1xfg s ASN 220 Ca -0.03 -0.34 0.09 0.00 -0.71 0.00 0.00 52.86 51.87 1xfg s ASN 220 Cb -0.14 -0.91 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 1xfg s ASN 220 CO -0.03 0.01 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.68 1xfg s ILE 221 N 0.87 2.16 0.07 0.60 1.01 -1.26 -0.40 121.20 124.26 1xfg s ILE 221 Ca -0.10 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.30 1xfg s ILE 221 Cb -0.15 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1xfg s ILE 221 CO 0.01 0.45 -0.06 -0.36 0.00 0.00 0.00 174.94 174.98 1xfg s PHE 222 N -0.74 0.74 0.36 3.97 0.08 0.51 -0.93 117.98 121.98 1xfg s PHE 222 Ca 0.11 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1xfg s PHE 222 Cb -0.10 -0.45 0.07 0.00 -0.57 0.00 0.00 43.02 41.97 1xfg s PHE 222 CO 0.01 -0.18 0.50 -0.40 -0.10 0.00 0.00 175.22 175.05 1xfg n ASP 223 N 0.42 0.71 0.29 1.36 5.68 -0.03 -0.08 116.55 124.90 1xfg n ASP 223 Ca -0.16 -1.59 0.19 0.00 -0.50 0.00 0.00 54.79 52.73 1xfg n ASP 223 Cb 0.59 -0.32 0.86 0.00 -1.14 0.00 0.00 41.12 41.11 1xfg n ASP 223 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1xfg h LYS 224 N 0.00 0.00 -0.02 0.11 2.10 -1.90 -0.08 116.57 116.78 1xfg h LYS 224 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1xfg h LYS 224 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1xfg h LYS 224 CO 0.18 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.88 1xfg n THR 225 N -3.03 0.02 -0.76 0.07 -2.24 -1.26 -4.88 114.28 102.21 1xfg n THR 225 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1xfg n THR 225 Cb 0.21 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1xfg n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfg n GLY 226 N 1.07 0.71 3.75 3.38 0.00 -0.04 -5.03 105.19 109.03 1xfg n GLY 226 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1xfg n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfg s ALA 227 N -2.49 3.47 0.27 4.61 0.00 -1.26 -4.78 121.76 121.58 1xfg s ALA 227 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1xfg s ALA 227 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1xfg s ALA 227 CO 0.00 -0.44 0.99 -2.00 0.00 0.00 0.00 175.76 174.31 1xfg s GLU 228 N -0.81 4.73 0.21 0.00 2.12 -1.26 -0.85 118.70 122.84 1xfg s GLU 228 Ca 0.51 1.57 0.09 0.00 0.36 0.00 0.00 54.97 57.51 1xfg s GLU 228 Cb -0.35 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1xfg s GLU 228 CO 0.42 0.37 -0.17 0.14 -0.54 0.00 0.00 175.26 175.48 1xfg s VAL 229 N -1.24 1.93 -0.17 3.70 -7.23 -0.11 -4.88 120.40 112.41 1xfg s VAL 229 Ca 0.44 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1xfg s VAL 229 Cb -0.27 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1xfg s VAL 229 CO 0.34 -0.48 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.81 1xfg s LYS 230 N -3.41 3.43 0.03 4.82 2.20 -1.26 -4.39 119.74 121.16 1xfg s LYS 230 Ca 0.23 -0.64 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 1xfg s LYS 230 Cb -0.03 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1xfg s LYS 230 CO 0.09 0.07 -0.21 1.03 -0.36 0.00 0.00 175.35 175.96 1xfg s ARG 231 N 0.76 1.49 0.07 4.03 1.81 -1.26 -5.12 118.95 120.72 1xfg s ARG 231 Ca -0.04 -0.93 -0.14 0.00 -1.72 0.00 0.00 55.73 52.90 1xfg s ARG 231 Cb -0.15 -1.58 -0.06 0.00 -0.45 0.00 0.00 34.95 32.71 1xfg s ARG 231 CO 0.02 0.41 0.47 -0.65 -0.68 0.00 0.00 175.30 174.87 1xfg s GLN 232 N -1.08 3.95 0.31 3.54 -1.52 -1.26 -5.06 119.66 118.54 1xfg s GLN 232 Ca 0.08 0.44 -0.09 0.00 -1.95 0.00 0.00 55.36 53.84 1xfg s GLN 232 Cb -0.09 -3.10 -0.07 0.00 -0.22 0.00 0.00 33.01 29.54 1xfg s GLN 232 CO 0.01 0.60 0.64 0.16 -0.25 0.00 0.00 175.29 176.45 1xfg s ASP 233 N -1.40 6.56 0.02 5.90 -4.77 -1.26 -4.52 116.67 117.21 1xfg s ASP 233 Ca 0.30 0.97 0.00 0.00 -3.30 0.00 0.00 52.55 50.52 1xfg s ASP 233 Cb -0.16 -2.25 -0.02 0.00 -1.09 0.00 0.00 42.92 39.40 1xfg s ASP 233 CO 0.17 -0.22 -0.04 0.27 0.70 0.00 0.00 175.17 176.05 1xfg s ILE 234 N -2.08 0.18 -0.06 2.11 -4.36 0.77 -4.93 121.20 112.82 1xfg s ILE 234 Ca 0.48 -0.90 -0.21 0.00 -0.26 0.00 0.00 60.65 59.77 1xfg s ILE 234 Cb -0.11 -0.31 -0.04 0.00 1.25 0.00 0.00 42.46 43.25 1xfg s ILE 234 CO 0.26 -0.46 0.60 -0.70 0.24 0.00 0.00 174.94 174.88 1xfg s GLU 235 N -1.42 4.37 -0.08 0.37 2.56 -1.26 -0.42 118.70 122.82 1xfg s GLU 235 Ca -0.14 0.70 -0.23 0.00 0.00 0.00 0.00 54.97 55.30 1xfg s GLU 235 Cb -0.10 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.59 1xfg s GLU 235 CO -0.01 0.19 0.66 0.45 -0.56 0.00 0.00 175.26 176.00 1xfg s SER 236 N 0.42 6.93 0.00 -1.70 0.15 0.21 -4.96 113.70 114.76 1xfg s SER 236 Ca 0.32 1.12 0.29 0.00 0.70 0.00 0.00 55.95 58.39 1xfg s SER 236 Cb -0.17 -2.39 1.37 0.00 -1.71 0.00 0.00 66.02 63.12 1xfg s SER 236 CO 0.15 -0.10 1.93 -0.46 1.20 0.00 0.00 173.24 175.96 1xfg n ASN 237 N 3.79 0.90 -4.80 5.45 0.23 -1.26 -4.92 115.26 114.64 1xfg n ASN 237 Ca -0.02 -1.27 -0.32 0.00 -0.53 0.00 0.00 54.58 52.44 1xfg n ASN 237 Cb 0.51 -0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.25 1xfg n ASN 237 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xfg s LEU 238 N -2.03 3.31 0.00 -4.53 1.43 -1.26 -5.27 118.68 110.33 1xfg s LEU 238 Ca 0.41 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1xfg s LEU 238 Cb 0.21 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1xfg s LEU 238 CO 0.36 -1.42 0.15 0.00 0.23 0.00 0.00 176.35 175.67