#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 1.52 -0.05 0.00 0.00 -0.71 -4.95 107.32 103.14 1xfg s GLY 2 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 43.81 1xfg s GLY 2 CO 0.00 -0.62 -0.21 -0.42 0.00 0.00 0.00 173.10 171.85 1xfg s ILE 3 N -0.44 1.73 0.01 0.90 1.01 -1.26 -1.02 121.20 122.12 1xfg s ILE 3 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1xfg s ILE 3 Cb -0.12 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1xfg s ILE 3 CO 0.02 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 1xfg s VAL 4 N -0.11 0.34 0.08 2.92 1.01 -0.70 -1.17 120.40 122.77 1xfg s VAL 4 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1xfg s VAL 4 Cb -0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1xfg s VAL 4 CO 0.02 -0.09 0.19 -0.83 0.00 0.00 0.00 175.10 174.40 1xfg s GLY 5 N -0.59 0.08 -0.07 4.51 0.00 0.16 -0.20 107.32 111.22 1xfg s GLY 5 Ca -0.03 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.92 1xfg s GLY 5 CO -0.00 -0.74 0.49 0.00 0.00 0.00 0.00 173.10 172.85 1xfg s ALA 6 N -3.66 -1.26 -0.11 3.20 0.00 -0.49 -1.24 121.76 118.19 1xfg s ALA 6 Ca 0.03 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1xfg s ALA 6 Cb 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1xfg s ALA 6 CO -0.10 -0.30 0.10 -1.50 0.00 0.00 0.00 175.76 173.96 1xfg s ILE 7 N -0.90 -0.14 0.30 0.00 2.07 -0.37 -1.60 121.20 120.56 1xfg s ILE 7 Ca -0.09 0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.22 1xfg s ILE 7 Cb -0.03 -0.38 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 1xfg s ILE 7 CO 0.05 -0.04 0.46 0.00 -1.91 0.00 0.00 174.94 173.51 1xfg s ALA 8 N 2.19 0.38 -0.05 1.50 0.00 0.12 -1.45 121.76 124.45 1xfg s ALA 8 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1xfg s ALA 8 Cb -0.14 1.12 -0.26 0.00 0.00 0.00 0.00 23.12 23.84 1xfg s ALA 8 CO -0.07 -0.81 0.62 0.37 0.00 0.00 0.00 175.76 175.88 1xfg h GLN 9 N 2.20 0.19 -7.47 0.00 4.15 -1.82 -3.41 115.11 108.94 1xfg h GLN 9 Ca -0.28 -0.32 -0.49 0.00 0.77 0.00 0.00 58.65 58.33 1xfg h GLN 9 Cb 1.24 0.12 0.09 0.00 0.21 0.00 0.00 27.48 29.14 1xfg h GLN 9 CO 0.39 0.98 0.40 -0.98 -1.93 0.00 0.00 178.83 177.68 1xfg s ARG 10 N -2.59 2.67 0.32 1.69 1.70 -1.26 -4.63 118.95 116.85 1xfg s ARG 10 Ca -0.13 0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.33 1xfg s ARG 10 Cb 0.07 -2.00 -0.11 0.00 -0.57 0.00 0.00 34.95 32.35 1xfg s ARG 10 CO 0.81 -1.18 1.43 -0.51 -1.08 0.00 0.00 175.30 174.78 1xfg s ASP 11 N -4.28 6.57 0.00 -2.89 1.01 -1.26 -4.12 116.67 111.70 1xfg s ASP 11 Ca 0.59 2.83 0.14 0.00 0.71 0.00 0.00 52.55 56.81 1xfg s ASP 11 Cb -0.12 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.22 1xfg s ASP 11 CO 0.52 -0.72 0.85 1.33 0.21 0.00 0.00 175.17 177.36 1xfg n VAL 12 N 1.23 0.00 -0.28 -1.27 0.24 -0.63 -4.62 118.33 112.99 1xfg n VAL 12 Ca 0.03 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.91 1xfg n VAL 12 Cb 0.40 1.23 0.14 0.00 -1.47 0.00 0.00 33.84 34.14 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 2.56 1.11 -0.41 2.33 0.00 -1.82 0.57 119.26 123.59 1xfg h ALA 13 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1xfg h ALA 13 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xfg h ALA 13 CO 0.00 0.15 -0.19 1.49 0.00 0.00 0.00 179.25 180.70 1xfg h GLU 14 N 0.83 0.80 -0.72 0.00 4.81 -1.93 -0.86 114.58 117.51 1xfg h GLU 14 Ca 0.36 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1xfg h GLU 14 Cb 0.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1xfg h GLU 14 CO -0.20 0.93 0.18 0.82 -0.73 0.00 0.00 179.01 180.01 1xfg h ILE 15 N 0.70 1.26 -0.27 2.32 2.04 -1.52 -1.25 117.51 120.79 1xfg h ILE 15 Ca 0.10 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1xfg h ILE 15 Cb 0.70 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1xfg h ILE 15 CO 0.05 0.37 0.05 -0.07 0.00 0.00 0.00 178.15 178.56 1xfg h LEU 16 N 1.09 0.42 -0.89 1.44 3.38 -0.49 -0.66 115.31 119.60 1xfg h LEU 16 Ca 0.23 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xfg h LEU 16 Cb 0.36 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1xfg h LEU 16 CO 0.00 0.57 0.59 -0.07 0.09 0.00 0.00 178.44 179.62 1xfg h LEU 17 N 0.26 1.02 -0.59 1.67 3.38 -1.11 0.96 115.31 120.90 1xfg h LEU 17 Ca 0.08 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1xfg h LEU 17 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xfg h LEU 17 CO 0.00 0.74 -0.49 -0.08 0.09 0.00 0.00 178.44 178.71 1xfg h GLU 18 N 1.21 0.55 -0.79 1.13 4.57 -1.06 -0.87 114.58 119.32 1xfg h GLU 18 Ca 0.33 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1xfg h GLU 18 Cb -0.14 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1xfg h GLU 18 CO -0.07 0.92 0.34 0.78 -1.18 0.00 0.00 179.01 179.80 1xfg h GLY 19 N 1.07 1.24 1.05 1.92 0.00 -0.47 -1.45 103.07 106.42 1xfg h GLY 19 Ca 0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1xfg h GLY 19 CO 0.09 0.61 0.13 1.41 0.00 0.00 0.00 176.54 178.78 1xfg h LEU 20 N 1.14 1.02 -1.17 3.11 3.38 -0.31 -2.23 115.31 120.25 1xfg h LEU 20 Ca 0.27 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1xfg h LEU 20 Cb 0.17 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1xfg h LEU 20 CO -0.03 1.01 0.58 0.03 0.09 0.00 0.00 178.44 180.12 1xfg h ARG 21 N 0.99 0.99 0.00 1.13 3.08 -0.58 0.25 114.38 120.24 1xfg h ARG 21 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xfg h ARG 21 Cb 0.41 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1xfg h ARG 21 CO 0.01 0.65 0.00 0.54 -1.07 0.00 0.00 179.97 180.10 1xfg n ARG 22 N -4.48 0.15 0.00 0.04 1.74 -0.60 -2.74 116.66 110.76 1xfg n ARG 22 Ca 0.13 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.64 1xfg n ARG 22 Cb 0.19 -1.75 -0.00 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.03 1.97 0.08 0.55 4.77 0.83 -4.56 117.00 118.61 1xfg n LEU 23 Ca 0.03 -0.76 0.04 0.00 -0.03 0.00 0.00 56.01 55.29 1xfg n LEU 23 Cb 0.26 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.81 1xfg n LEU 23 CO 0.21 0.37 1.08 -0.33 -1.33 0.00 0.00 177.39 177.38 1xfg h GLU 24 N 2.35 0.35 -0.17 3.23 5.08 -1.17 -2.78 114.58 121.47 1xfg h GLU 24 Ca 0.00 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xfg h GLU 24 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1xfg h GLU 24 CO 0.00 0.29 0.26 0.10 -1.00 0.00 0.00 179.01 178.66 1xfg h TYR 25 N 0.36 0.00 0.00 4.33 -0.00 -1.80 0.13 116.97 119.98 1xfg h TYR 25 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.81 1xfg h TYR 25 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.78 1xfg h TYR 25 CO 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 178.12 1xfg h ARG 26 N 0.00 0.00 0.00 0.10 3.08 -1.86 -3.49 114.38 112.22 1xfg h ARG 26 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xfg h ARG 26 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1xfg h ARG 26 CO -0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1xfg n GLY 27 N 0.18 0.28 0.00 0.04 0.00 0.43 -5.14 105.19 100.98 1xfg n GLY 27 Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.62 0.00 0.08 1.61 4.11 -1.26 -4.72 117.16 117.59 1xfg n TYR 28 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.92 1xfg n TYR 28 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 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 2.11 -3.79 9.48 5.68 0.50 -4.98 116.55 125.54 1xfg n ASP 29 Ca 0.00 -0.30 -0.07 0.00 -0.50 0.00 0.00 54.79 53.92 1xfg n ASP 29 Cb 0.00 1.07 -0.02 0.00 -1.14 0.00 0.00 41.12 41.03 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 -1.82 -0.28 0.17 -1.12 1.04 -1.22 -1.40 113.70 109.07 1xfg s SER 30 Ca 0.00 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 55.71 1xfg s SER 30 Cb 0.02 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.87 1xfg s SER 30 CO 0.14 -1.22 0.58 0.00 0.98 0.00 0.00 173.24 173.72 1xfg s ALA 31 N -3.77 -1.41 0.04 5.32 0.00 -0.73 -0.77 121.76 120.43 1xfg s ALA 31 Ca 0.10 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 1xfg s ALA 31 Cb -0.05 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.02 1xfg s ALA 31 CO 0.04 -0.78 0.91 0.20 0.00 0.00 0.00 175.76 176.13 1xfg s GLY 32 N -2.79 -0.40 0.10 0.00 0.00 -0.27 -1.11 107.32 102.86 1xfg s GLY 32 Ca 0.03 0.76 -0.12 0.00 0.00 0.00 0.00 44.72 45.39 1xfg s GLY 32 CO -0.10 0.24 0.28 0.48 0.00 0.00 0.00 173.10 174.00 1xfg s LEU 33 N -2.62 1.00 -0.05 0.66 2.34 0.22 -1.18 118.68 119.05 1xfg s LEU 33 Ca 0.07 -0.52 -0.03 0.00 0.06 0.00 0.00 54.13 53.71 1xfg s LEU 33 Cb -0.01 1.37 0.02 0.00 -0.56 0.00 0.00 46.19 47.01 1xfg s LEU 33 CO -0.06 -0.78 0.11 0.00 -1.06 0.00 0.00 176.35 174.56 1xfg s ALA 34 N -3.84 -0.23 0.06 1.48 0.00 -0.42 -0.83 121.76 117.98 1xfg s ALA 34 Ca 0.04 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1xfg s ALA 34 Cb 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1xfg s ALA 34 CO -0.11 -0.10 -0.11 0.14 0.00 0.00 0.00 175.76 175.58 1xfg s VAL 35 N 0.58 0.84 -0.04 0.00 -7.23 -0.32 -1.17 120.40 113.05 1xfg s VAL 35 Ca -0.04 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1xfg s VAL 35 Cb -0.06 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.01 1xfg s VAL 35 CO -0.03 -0.32 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.66 1xfg s VAL 36 N -1.41 0.88 0.67 1.32 1.01 0.53 -0.22 120.40 123.19 1xfg s VAL 36 Ca -0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1xfg s VAL 36 Cb -0.09 -0.81 0.14 0.00 0.00 0.00 0.00 36.38 35.62 1xfg s VAL 36 CO 0.01 0.29 0.91 -0.90 0.00 0.00 0.00 175.10 175.41 1xfg n ASP 37 N 3.61 0.71 0.30 3.32 5.68 -0.64 -2.87 116.55 126.64 1xfg n ASP 37 Ca -0.21 -1.72 0.18 0.00 -0.50 0.00 0.00 54.79 52.54 1xfg n ASP 37 Cb 0.53 -0.64 0.88 0.00 -1.14 0.00 0.00 41.12 40.74 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 -1.06 1.06 -0.55 2.12 0.00 -1.93 -1.26 119.26 117.64 1xfg h ALA 38 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xfg h ALA 38 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xfg h ALA 38 CO 0.27 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.95 1xfg n GLU 39 N -3.21 2.56 -1.02 0.00 1.02 -1.26 -4.89 120.64 113.83 1xfg n GLU 39 Ca -0.01 -2.09 -0.01 0.00 -0.02 0.00 0.00 57.16 55.03 1xfg n GLU 39 Cb 0.21 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.48 3.63 0.62 0.00 -0.47 -5.00 105.19 105.71 1xfg n GLY 40 Ca 0.19 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.99 3.23 -0.15 1.61 3.76 -1.26 -4.69 115.29 115.80 1xfg s HIS 41 Ca 0.00 1.11 -0.07 0.00 -0.15 0.00 0.00 55.06 55.95 1xfg s HIS 41 Cb 0.00 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 1xfg s HIS 41 CO 0.00 -0.59 0.10 1.41 -0.85 0.00 0.00 174.74 174.81 1xfg s MET 42 N 3.22 3.67 -0.10 1.40 1.75 -1.26 -1.63 119.30 126.35 1xfg s MET 42 Ca 0.39 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.63 1xfg s MET 42 Cb -0.14 -3.19 0.00 0.00 2.84 0.00 0.00 34.83 34.34 1xfg s MET 42 CO 0.11 0.55 -0.23 0.99 -0.65 0.00 0.00 175.02 175.79 1xfg s THR 43 N -0.38 2.10 -0.05 10.11 2.01 0.70 -4.97 115.64 125.16 1xfg s THR 43 Ca 0.10 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1xfg s THR 43 Cb -0.12 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 1xfg s THR 43 CO 0.01 0.56 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.71 1xfg s ARG 44 N 0.38 2.09 -0.03 4.92 3.52 -1.26 -1.17 118.95 127.40 1xfg s ARG 44 Ca -0.18 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1xfg s ARG 44 Cb -0.18 -1.77 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1xfg s ARG 44 CO 0.08 0.27 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.64 1xfg s LEU 45 N 0.04 1.38 0.04 -0.88 2.96 -0.01 -5.00 118.68 117.20 1xfg s LEU 45 Ca -0.05 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1xfg s LEU 45 Cb -0.13 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1xfg s LEU 45 CO 0.03 -0.06 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.84 1xfg s ARG 46 N 0.78 0.48 -0.08 1.98 0.52 -1.26 -0.61 118.95 120.76 1xfg s ARG 46 Ca -0.09 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.16 1xfg s ARG 46 Cb -0.12 0.10 0.03 0.00 0.52 0.00 0.00 34.95 35.48 1xfg s ARG 46 CO -0.01 -0.07 0.19 1.03 0.02 0.00 0.00 175.30 176.46 1xfg s ARG 47 N -2.62 0.17 -0.02 3.54 1.81 -0.27 -4.99 118.95 116.58 1xfg s ARG 47 Ca -0.04 0.36 -0.30 0.00 -1.72 0.00 0.00 55.73 54.02 1xfg s ARG 47 Cb -0.02 -0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1xfg s ARG 47 CO -0.05 -0.10 1.44 -1.17 -0.68 0.00 0.00 175.30 174.74 1xfg s LEU 48 N 0.71 4.31 0.00 2.53 2.96 -1.26 -1.78 118.68 126.15 1xfg s LEU 48 Ca -0.05 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1xfg s LEU 48 Cb -0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1xfg s LEU 48 CO -0.04 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 1xfg n GLY 49 N 3.73 0.40 3.95 7.98 0.00 -0.49 -4.98 105.19 115.77 1xfg n GLY 49 Ca 0.14 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.66 3.48 0.41 1.61 -0.14 -1.26 -3.57 119.74 119.60 1xfg s LYS 50 Ca 0.00 -0.41 0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1xfg s LYS 50 Cb 0.00 -2.71 0.88 0.00 -1.68 0.00 0.00 37.83 34.32 1xfg s LYS 50 CO 0.00 0.21 2.02 0.28 -0.76 0.00 0.00 175.35 177.10 1xfg h VAL 51 N 0.85 1.04 -0.67 3.17 2.07 -1.95 0.02 116.25 120.77 1xfg h VAL 51 Ca -0.50 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xfg h VAL 51 Cb 1.22 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1xfg h VAL 51 CO 0.61 0.10 0.44 -0.61 0.02 0.00 0.00 177.57 178.14 1xfg h GLN 52 N 0.55 0.88 -0.67 1.57 5.75 -1.98 0.29 115.11 121.51 1xfg h GLN 52 Ca 0.21 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1xfg h GLN 52 Cb 0.14 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1xfg h GLN 52 CO -0.05 0.58 0.15 1.98 -2.65 0.00 0.00 178.83 178.84 1xfg h MET 53 N 0.91 1.07 -0.44 1.69 4.05 -1.38 0.73 114.93 121.56 1xfg h MET 53 Ca 0.25 -0.26 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 1xfg h MET 53 Cb -0.10 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.55 1xfg h MET 53 CO -0.05 0.95 -0.17 1.25 0.23 0.00 0.00 176.91 179.12 1xfg h LEU 54 N 1.01 0.90 -0.74 3.39 5.85 -0.69 -1.99 115.31 123.04 1xfg h LEU 54 Ca 0.21 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1xfg h LEU 54 Cb 0.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1xfg h LEU 54 CO 0.00 1.09 -0.08 0.00 -0.34 0.00 0.00 178.44 179.11 1xfg h ALA 55 N 0.85 0.93 -0.58 1.25 0.00 -0.15 0.82 119.26 122.38 1xfg h ALA 55 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xfg h ALA 55 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xfg h ALA 55 CO 0.06 0.63 0.14 1.96 0.00 0.00 0.00 179.25 182.03 1xfg h GLN 56 N 0.80 0.92 -0.15 0.00 4.20 -0.74 -2.48 115.11 117.66 1xfg h GLN 56 Ca 0.13 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1xfg h GLN 56 Cb 0.59 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1xfg h GLN 56 CO 0.04 0.86 -0.22 0.00 -0.67 0.00 0.00 178.83 178.84 1xfg h ALA 57 N 1.03 1.36 0.00 3.87 0.00 -0.94 -2.32 119.26 122.26 1xfg h ALA 57 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xfg h ALA 57 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xfg h ALA 57 CO 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 1xfg h ALA 58 N 1.54 1.13 0.00 0.00 0.00 -0.52 -2.58 119.26 118.83 1xfg h ALA 58 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xfg h ALA 58 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xfg h ALA 58 CO 0.04 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.06 1xfg n GLU 59 N -3.66 0.22 -0.47 0.00 4.71 -0.87 -1.86 120.64 118.72 1xfg n GLU 59 Ca -0.01 0.36 0.09 0.00 -0.01 0.00 0.00 57.16 57.60 1xfg n GLU 59 Cb 0.42 -1.87 0.30 0.00 -1.01 0.00 0.00 31.44 29.29 1xfg n GLU 59 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xfg n GLU 60 N -2.27 3.31 -0.05 3.49 1.02 -0.98 -4.43 120.64 120.73 1xfg n GLU 60 Ca 0.03 -2.68 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1xfg n GLU 60 Cb 0.30 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1xfg n GLU 60 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xfg n HIS 61 N 0.90 0.00 0.00 -0.32 8.25 -0.78 -5.08 115.22 118.19 1xfg n HIS 61 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1xfg n HIS 61 Cb 0.75 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 -2.66 -0.41 -0.02 -0.97 -4.69 135.00 126.25 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 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 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 3.89 -0.02 2.45 1.02 -1.26 -5.03 118.68 119.73 1xfg s LEU 63 Ca 0.00 0.88 -0.06 0.00 0.02 0.00 0.00 54.13 54.97 1xfg s LEU 63 Cb 0.00 -3.50 -0.05 0.00 0.02 0.00 0.00 46.19 42.67 1xfg s LEU 63 CO 0.00 -0.93 0.24 -1.00 0.02 0.00 0.00 176.35 174.67 1xfg s HIS 64 N 3.75 3.58 0.00 0.29 3.76 -1.26 -4.63 115.29 120.78 1xfg s HIS 64 Ca 0.45 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1xfg s HIS 64 Cb -0.11 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1xfg s HIS 64 CO 0.18 0.64 0.00 0.41 -0.85 0.00 0.00 174.74 175.13 1xfg n GLY 65 N 1.25 4.42 0.83 -2.22 0.00 -1.26 -3.97 105.19 104.24 1xfg n GLY 65 Ca -0.13 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.58 0.82 3.05 -0.02 0.00 -1.17 -1.60 105.19 104.69 1xfg n GLY 66 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 1.22 0.08 2.61 2.01 -1.14 0.14 115.64 118.71 1xfg s THR 67 Ca 0.33 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.53 1xfg s THR 67 Cb 0.20 -1.10 0.08 0.00 0.01 0.00 0.00 72.50 71.70 1xfg s THR 67 CO 0.31 0.37 0.80 -0.83 -0.69 0.00 0.00 174.62 174.58 1xfg s GLY 68 N 0.50 -0.46 0.03 4.40 0.00 -0.63 -0.34 107.32 110.83 1xfg s GLY 68 Ca -0.12 0.66 -0.02 0.00 0.00 0.00 0.00 44.72 45.24 1xfg s GLY 68 CO 0.04 0.21 0.01 -0.26 0.00 0.00 0.00 173.10 173.10 1xfg s ILE 69 N -3.38 0.15 0.18 0.90 -4.36 -0.32 -1.40 121.20 112.97 1xfg s ILE 69 Ca 0.05 -1.24 -0.14 0.00 -0.26 0.00 0.00 60.65 59.06 1xfg s ILE 69 Cb -0.01 -0.85 0.01 0.00 1.25 0.00 0.00 42.46 42.86 1xfg s ILE 69 CO -0.08 -0.68 0.41 0.00 0.24 0.00 0.00 174.94 174.83 1xfg s ALA 70 N -2.57 -0.55 -0.22 2.27 0.00 0.73 -1.30 121.76 120.12 1xfg s ALA 70 Ca -0.05 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.15 1xfg s ALA 70 Cb -0.02 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.01 1xfg s ALA 70 CO -0.05 -0.73 0.74 -1.58 0.00 0.00 0.00 175.76 174.15 1xfg s HIS 71 N -3.91 -0.72 -0.09 0.00 5.04 -0.33 -1.72 115.29 113.56 1xfg s HIS 71 Ca 0.12 1.64 -0.00 0.00 -1.54 0.00 0.00 55.06 55.28 1xfg s HIS 71 Cb 0.01 0.32 -0.03 0.00 0.04 0.00 0.00 32.58 32.92 1xfg s HIS 71 CO -0.02 -0.42 -0.06 0.95 -2.34 0.00 0.00 174.74 172.84 1xfg s THR 72 N -0.04 3.72 -0.07 0.89 -4.23 -0.19 -1.11 115.64 114.60 1xfg s THR 72 Ca -0.02 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1xfg s THR 72 Cb -0.04 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1xfg s THR 72 CO 0.03 0.58 -0.01 -0.60 -0.54 0.00 0.00 174.62 174.07 1xfg s ARG 73 N -0.57 2.91 -0.33 3.99 3.52 0.05 -0.44 118.95 128.09 1xfg s ARG 73 Ca 0.09 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1xfg s ARG 73 Cb -0.12 -2.74 0.07 0.00 -1.56 0.00 0.00 34.95 30.61 1xfg s ARG 73 CO 0.02 0.68 0.04 -0.46 -0.81 0.00 0.00 175.30 174.77 1xfg s TRP 74 N -0.91 3.42 0.21 5.12 -0.11 -1.26 -0.37 118.94 125.04 1xfg s TRP 74 Ca 0.14 -2.24 -0.32 0.00 1.22 0.00 0.00 56.10 54.90 1xfg s TRP 74 Cb -0.11 -2.47 -0.13 0.00 -1.50 0.00 0.00 33.47 29.26 1xfg s TRP 74 CO 0.03 -0.88 1.53 0.00 -4.62 0.00 0.00 176.95 173.02 1xfg n ALA 75 N 4.53 1.60 0.00 5.86 0.00 -1.26 -4.81 120.51 126.43 1xfg n ALA 75 Ca -0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xfg n ALA 75 Cb 0.42 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.73 0.00 -4.04 0.00 -2.24 -1.26 -4.99 114.28 104.49 1xfg n THR 76 Ca 0.14 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.60 1xfg n THR 76 Cb 0.32 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.87 3.62 0.00 4.78 3.76 -1.26 -4.98 115.29 119.33 1xfg s HIS 77 Ca 0.00 -2.80 0.00 0.00 -0.15 0.00 0.00 55.06 52.11 1xfg s HIS 77 Cb 0.00 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 31.07 1xfg s HIS 77 CO 0.00 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 1xfg n GLY 78 N 4.31 2.12 3.74 -2.22 0.00 -1.25 -3.72 105.19 108.16 1xfg n GLY 78 Ca -0.02 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 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 -5.05 1.88 0.16 1.61 -1.05 -1.26 -4.85 118.70 110.14 1xfg s GLU 79 Ca 0.00 1.31 -0.31 0.00 -0.15 0.00 0.00 54.97 55.81 1xfg s GLU 79 Cb 0.00 -1.84 -0.11 0.00 -0.44 0.00 0.00 34.13 31.74 1xfg s GLU 79 CO 0.00 -1.95 1.79 -2.14 0.95 0.00 0.00 175.26 173.91 1xfg s PRO 80 N -4.78 4.13 -0.05 -4.83 0.02 -1.26 -4.74 135.00 123.50 1xfg s PRO 80 Ca 0.63 2.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.96 1xfg s PRO 80 Cb -0.19 -3.37 0.11 0.00 0.02 0.00 0.00 34.50 31.06 1xfg s PRO 80 CO 0.56 -0.81 1.02 -1.54 -0.33 0.00 0.00 177.00 175.90 1xfg s SER 81 N 2.07 -0.25 0.25 2.53 1.04 -1.26 -5.01 113.70 113.07 1xfg s SER 81 Ca 0.79 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 57.13 1xfg s SER 81 Cb -0.48 0.31 0.30 0.00 0.10 0.00 0.00 66.02 66.24 1xfg s SER 81 CO 0.35 -0.51 1.73 -0.08 0.98 0.00 0.00 173.24 175.71 1xfg h GLU 82 N 2.00 0.80 -0.60 4.02 4.81 -1.92 -2.03 114.58 121.67 1xfg h GLU 82 Ca -0.19 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1xfg h GLU 82 Cb 1.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1xfg h GLU 82 CO 0.28 0.83 0.39 0.28 -0.73 0.00 0.00 179.01 180.06 1xfg h VAL 83 N 0.74 1.09 0.00 0.32 2.07 -1.95 -2.66 116.25 115.86 1xfg h VAL 83 Ca 0.14 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1xfg h VAL 83 Cb 0.50 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xfg h VAL 83 CO 0.03 0.13 -0.56 0.59 0.02 0.00 0.00 177.57 177.78 1xfg n ASN 84 N -4.46 0.56 -4.73 0.57 3.02 -0.96 -4.74 115.26 104.51 1xfg n ASN 84 Ca 0.07 -0.08 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 1xfg n ASN 84 Cb 0.11 0.22 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 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 -3.07 2.24 0.13 5.41 0.00 -0.81 -4.91 121.76 120.75 1xfg s ALA 85 Ca 0.09 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 1xfg s ALA 85 Cb 0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1xfg s ALA 85 CO 0.71 -1.67 0.29 -1.01 0.00 0.00 0.00 175.76 174.08 1xfg s HIS 86 N -1.99 3.50 0.27 0.00 0.09 -1.26 -4.47 115.29 111.43 1xfg s HIS 86 Ca 0.74 0.29 -0.14 0.00 -0.00 0.00 0.00 55.06 55.95 1xfg s HIS 86 Cb -0.28 -1.80 -0.08 0.00 -0.00 0.00 0.00 32.58 30.42 1xfg s HIS 86 CO 0.43 0.50 0.66 -2.14 -0.00 0.00 0.00 174.74 174.19 1xfg s PRO 87 N -2.88 3.96 0.17 8.40 0.02 -1.26 -3.40 135.00 140.02 1xfg s PRO 87 Ca 0.37 0.55 0.01 0.00 0.02 0.00 0.00 61.00 61.95 1xfg s PRO 87 Cb -0.12 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 1xfg s PRO 87 CO 0.28 0.25 0.33 -1.01 -0.33 0.00 0.00 177.00 176.52 1xfg s HIS 88 N -1.85 3.48 0.20 6.54 3.76 -0.02 -4.86 115.29 122.54 1xfg s HIS 88 Ca 0.50 0.21 0.08 0.00 -0.15 0.00 0.00 55.06 55.70 1xfg s HIS 88 Cb -0.11 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 1xfg s HIS 88 CO 0.19 0.46 -0.16 0.14 -0.85 0.00 0.00 174.74 174.52 1xfg s VAL 89 N -1.80 1.83 -0.38 -0.90 -7.23 -1.26 -0.62 120.40 110.04 1xfg s VAL 89 Ca 0.36 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1xfg s VAL 89 Cb -0.11 -2.01 0.15 0.00 0.56 0.00 0.00 36.38 34.97 1xfg s VAL 89 CO 0.29 -0.50 0.32 -0.55 -0.31 0.00 0.00 175.10 174.35 1xfg s SER 90 N -3.15 1.75 1.97 4.85 0.15 0.45 -4.77 113.70 114.95 1xfg s SER 90 Ca 0.21 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1xfg s SER 90 Cb -0.03 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1xfg s SER 90 CO 0.08 -0.25 0.00 -0.62 1.20 0.00 0.00 173.24 173.65 1xfg n GLU 91 N 3.81 0.00 0.02 5.44 1.02 -1.26 -1.59 120.64 128.08 1xfg n GLU 91 Ca 0.16 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 1xfg n GLU 91 Cb 0.43 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 32.28 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 6.56 0.14 -2.95 -0.32 1.44 -1.26 -4.80 115.22 114.02 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 -0.47 -0.05 0.00 0.12 0.00 0.00 29.99 29.60 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 -3.03 4.84 -0.03 0.61 -1.09 -0.62 -0.73 121.20 121.15 1xfg s ILE 93 Ca 0.12 1.66 0.02 0.00 -2.23 0.00 0.00 60.65 60.22 1xfg s ILE 93 Cb 0.17 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1xfg s ILE 93 CO 0.62 0.30 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.83 1xfg s VAL 94 N 0.38 0.84 0.02 2.92 1.01 0.56 -0.41 120.40 125.72 1xfg s VAL 94 Ca 0.41 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1xfg s VAL 94 Cb -0.20 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1xfg s VAL 94 CO 0.23 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 174.83 1xfg s VAL 95 N 0.27 0.52 0.13 2.92 1.01 0.21 -1.06 120.40 124.40 1xfg s VAL 95 Ca -0.05 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1xfg s VAL 95 Cb -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1xfg s VAL 95 CO 0.01 -0.13 -0.19 0.68 0.00 0.00 0.00 175.10 175.47 1xfg s VAL 96 N -0.77 1.72 -0.13 2.92 -7.23 -0.81 -0.84 120.40 115.26 1xfg s VAL 96 Ca -0.04 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1xfg s VAL 96 Cb -0.06 -1.68 0.04 0.00 0.56 0.00 0.00 36.38 35.24 1xfg s VAL 96 CO 0.00 -0.20 0.32 -2.28 -0.31 0.00 0.00 175.10 172.62 1xfg s HIS 97 N -1.63 -0.40 -0.06 2.82 5.04 -1.26 -2.15 115.29 117.64 1xfg s HIS 97 Ca 0.11 0.92 0.01 0.00 -1.54 0.00 0.00 55.06 54.56 1xfg s HIS 97 Cb -0.08 0.13 -0.03 0.00 0.04 0.00 0.00 32.58 32.64 1xfg s HIS 97 CO 0.05 -0.22 -0.06 -0.80 -2.34 0.00 0.00 174.74 171.37 1xfg s ASN 98 N 0.71 4.74 0.00 9.88 0.01 0.41 -4.47 114.94 126.21 1xfg s ASN 98 Ca -0.04 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1xfg s ASN 98 Cb -0.06 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.40 1xfg s ASN 98 CO -0.05 0.36 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 1xfg n GLY 99 N 2.13 -0.97 2.90 0.66 0.00 -1.26 -0.94 105.19 107.71 1xfg n GLY 99 Ca -0.18 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 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 0.15 -0.51 -0.61 1.01 -0.85 -4.97 121.20 115.42 1xfg s ILE 100 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1xfg s ILE 100 Cb 0.00 -0.14 0.10 0.00 0.01 0.00 0.00 42.46 42.43 1xfg s ILE 100 CO 0.00 0.05 0.46 -0.63 0.00 0.00 0.00 174.94 174.81 1xfg s ILE 101 N -0.01 5.21 0.37 2.92 -1.09 -1.26 -3.15 121.20 124.19 1xfg s ILE 101 Ca 0.00 -1.27 0.17 0.00 -2.23 0.00 0.00 60.65 57.32 1xfg s ILE 101 Cb -0.01 -4.24 0.15 0.00 -1.58 0.00 0.00 42.46 36.78 1xfg s ILE 101 CO -0.00 -0.74 1.90 -0.33 -1.23 0.00 0.00 174.94 174.54 1xfg h GLU 102 N 8.84 0.00 -0.96 2.79 5.08 -0.51 -2.48 114.58 127.34 1xfg h GLU 102 Ca -0.29 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.52 1xfg h GLU 102 Cb 1.10 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.06 1xfg h GLU 102 CO 0.96 0.28 0.66 0.27 -1.00 0.00 0.00 179.01 180.19 1xfg n ASN 103 N -3.99 4.90 0.22 1.42 6.94 -1.24 -4.63 115.26 118.87 1xfg n ASN 103 Ca -0.02 -3.68 0.05 0.00 -0.02 0.00 0.00 54.58 50.91 1xfg n ASN 103 Cb 0.35 -0.86 0.47 0.00 -2.36 0.00 0.00 39.78 37.38 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 1.32 0.00 0.48 -2.53 2.07 -1.78 -2.84 115.15 111.88 1xfg h HIS 104 Ca 0.60 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.10 1xfg h HIS 104 Cb 2.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.14 1xfg h HIS 104 CO 1.51 0.22 -0.23 0.93 -3.07 0.00 0.00 177.93 177.28 1xfg h GLU 105 N 0.00 -0.62 -0.73 5.12 5.08 -1.87 0.28 114.58 121.83 1xfg h GLU 105 Ca -0.00 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1xfg h GLU 105 Cb 0.39 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1xfg h GLU 105 CO 0.03 -0.32 0.35 -1.35 -1.00 0.00 0.00 179.01 176.73 1xfg h PRO 106 N -0.95 0.56 -0.64 2.33 0.11 -1.94 -1.59 132.00 129.89 1xfg h PRO 106 Ca -0.07 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.93 1xfg h PRO 106 Cb 0.59 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1xfg h PRO 106 CO 0.11 0.37 0.10 -0.07 -0.21 0.00 0.00 178.00 178.29 1xfg h LEU 107 N 0.58 1.02 -0.43 2.35 3.38 -1.41 -1.21 115.31 119.59 1xfg h LEU 107 Ca 0.37 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xfg h LEU 107 Cb 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1xfg h LEU 107 CO -0.30 1.03 0.26 -0.09 0.09 0.00 0.00 178.44 179.43 1xfg h ARG 108 N 0.98 0.52 -0.60 1.13 2.43 0.30 0.22 114.38 119.36 1xfg h ARG 108 Ca 0.19 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1xfg h ARG 108 Cb 0.45 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1xfg h ARG 108 CO 0.01 0.34 0.18 0.93 -1.51 0.00 0.00 179.97 179.92 1xfg h GLU 109 N 0.53 0.94 -0.41 0.20 4.39 -1.22 0.68 114.58 119.69 1xfg h GLU 109 Ca 0.17 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1xfg h GLU 109 Cb -0.02 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1xfg h GLU 109 CO -0.06 0.84 0.19 1.49 -1.16 0.00 0.00 179.01 180.31 1xfg h GLU 110 N 0.85 0.37 -0.02 2.33 4.81 -0.97 0.57 114.58 122.52 1xfg h GLU 110 Ca 0.19 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 1xfg h GLU 110 Cb 0.30 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1xfg h GLU 110 CO -0.00 0.24 -0.73 -0.07 -0.73 0.00 0.00 179.01 177.72 1xfg h LEU 111 N 0.38 0.16 -0.17 1.64 3.38 -0.04 -0.20 115.31 120.46 1xfg h LEU 111 Ca 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xfg h LEU 111 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xfg h LEU 111 CO -0.15 0.83 0.11 0.11 0.09 0.00 0.00 178.44 179.43 1xfg h LYS 112 N 0.08 0.23 -0.67 1.13 1.57 0.94 -0.25 116.57 119.60 1xfg h LYS 112 Ca -0.02 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1xfg h LYS 112 Cb 1.29 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1xfg h LYS 112 CO 0.11 0.18 0.44 0.00 -0.57 0.00 0.00 179.45 179.61 1xfg h ALA 113 N 1.03 1.97 0.00 3.86 0.00 0.29 1.02 119.26 127.43 1xfg h ALA 113 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xfg h ALA 113 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xfg h ALA 113 CO -0.01 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.66 1xfg n ARG 114 N -4.48 0.52 0.00 0.00 1.74 -0.10 -4.88 116.66 109.46 1xfg n ARG 114 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1xfg n ARG 114 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.21 0.84 3.82 -0.13 0.00 0.35 -5.04 105.19 106.24 1xfg n GLY 115 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 3.43 -0.21 1.61 2.02 -0.30 -4.99 117.35 116.92 1xfg s TYR 116 Ca 0.00 1.56 -0.08 0.00 -0.37 0.00 0.00 57.07 58.19 1xfg s TYR 116 Cb 0.00 -2.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.73 1xfg s TYR 116 CO 0.00 0.03 0.07 0.99 -1.57 0.00 0.00 175.55 175.07 1xfg s THR 117 N -1.98 4.71 -0.16 -0.71 2.01 -1.26 -4.29 115.64 113.95 1xfg s THR 117 Ca 0.57 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 1xfg s THR 117 Cb -0.12 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1xfg s THR 117 CO 0.17 0.41 0.45 -0.36 -0.69 0.00 0.00 174.62 174.60 1xfg s PHE 118 N 0.81 3.44 -0.30 4.92 0.40 -1.26 -4.92 117.98 121.06 1xfg s PHE 118 Ca 0.04 0.76 0.22 0.00 -0.60 0.00 0.00 56.93 57.35 1xfg s PHE 118 Cb -0.13 -2.56 -0.31 0.00 0.51 0.00 0.00 43.02 40.53 1xfg s PHE 118 CO 0.02 0.06 0.60 1.33 0.70 0.00 0.00 175.22 177.93 1xfg n VAL 119 N 4.06 0.00 -4.34 -0.44 0.24 -1.26 -4.98 118.33 111.62 1xfg n VAL 119 Ca -0.07 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.61 1xfg n VAL 119 Cb 0.51 0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 33.08 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 -4.08 4.18 -0.08 -1.34 1.04 -1.26 -4.94 113.70 107.22 1xfg s SER 120 Ca -0.03 -1.15 0.15 0.00 0.48 0.00 0.00 55.95 55.40 1xfg s SER 120 Cb 0.14 -0.47 0.57 0.00 0.10 0.00 0.00 66.02 66.37 1xfg s SER 120 CO 0.89 -0.43 1.45 -0.62 0.98 0.00 0.00 173.24 175.51 1xfg n GLU 121 N -1.08 3.08 -2.93 4.02 4.71 -1.26 -5.00 120.64 122.18 1xfg n GLU 121 Ca -0.03 -2.25 -0.28 0.00 -0.01 0.00 0.00 57.16 54.59 1xfg n GLU 121 Cb 0.65 -1.73 -0.02 0.00 -1.01 0.00 0.00 31.44 29.33 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 -1.72 4.93 0.22 2.62 -4.23 -1.24 -3.80 115.64 112.40 1xfg s THR 122 Ca 0.40 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1xfg s THR 122 Cb 0.26 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 1xfg s THR 122 CO 0.20 -0.62 1.54 -2.24 -0.54 0.00 0.00 174.62 172.97 1xfg h ASP 123 N 0.86 0.45 -0.96 3.99 2.03 -1.93 -3.27 116.42 117.59 1xfg h ASP 123 Ca -0.47 -0.24 0.23 0.00 -0.73 0.00 0.00 57.03 55.82 1xfg h ASP 123 Cb 1.20 -0.13 -0.12 0.00 -0.83 0.00 0.00 39.33 39.45 1xfg h ASP 123 CO 0.63 0.91 0.52 0.74 -1.03 0.00 0.00 179.24 181.01 1xfg h THR 124 N 0.31 0.52 0.00 1.15 2.02 -1.93 -0.23 112.91 114.75 1xfg h THR 124 Ca 0.00 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1xfg h THR 124 Cb 1.07 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1xfg h THR 124 CO 0.10 0.09 -0.03 -0.08 0.37 0.00 0.00 175.52 175.97 1xfg h GLU 125 N 0.51 0.00 -0.35 6.66 4.81 -1.96 -0.43 114.58 123.83 1xfg h GLU 125 Ca 0.61 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.82 1xfg h GLU 125 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1xfg h GLU 125 CO -0.49 0.03 0.13 -0.39 -0.73 0.00 0.00 179.01 177.56 1xfg h VAL 126 N 0.00 1.14 -0.47 0.32 -1.51 -1.24 -1.99 116.25 112.51 1xfg h VAL 126 Ca -0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1xfg h VAL 126 Cb 0.07 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 29.95 1xfg h VAL 126 CO 0.00 0.17 0.29 0.40 -1.23 0.00 0.00 177.57 177.21 1xfg h ILE 127 N 0.49 1.14 -0.10 7.19 2.04 -1.19 0.25 117.51 127.32 1xfg h ILE 127 Ca 0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xfg h ILE 127 Cb 0.12 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1xfg h ILE 127 CO -0.01 0.14 0.04 0.00 0.00 0.00 0.00 178.15 178.32 1xfg h ALA 128 N 1.15 0.13 -0.35 1.87 0.00 -1.40 0.80 119.26 121.46 1xfg h ALA 128 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xfg h ALA 128 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xfg h ALA 128 CO -0.03 -0.29 -0.26 0.45 0.00 0.00 0.00 179.25 179.11 1xfg h HIS 129 N 0.01 0.81 -0.23 0.00 3.86 -1.22 -1.59 115.15 116.79 1xfg h HIS 129 Ca 0.03 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1xfg h HIS 129 Cb 0.16 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1xfg h HIS 129 CO -0.02 0.89 0.11 1.25 0.86 0.00 0.00 177.93 181.03 1xfg h LEU 130 N 0.61 0.30 -1.00 2.43 5.85 -0.23 0.12 115.31 123.39 1xfg h LEU 130 Ca 0.08 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1xfg h LEU 130 Cb 0.76 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1xfg h LEU 130 CO 0.06 0.34 0.17 0.58 -0.34 0.00 0.00 178.44 179.25 1xfg h VAL 131 N 0.25 1.23 -0.54 1.05 2.07 -0.74 -0.53 116.25 119.04 1xfg h VAL 131 Ca 0.08 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1xfg h VAL 131 Cb 0.11 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1xfg h VAL 131 CO -0.01 0.31 0.28 -1.13 0.02 0.00 0.00 177.57 177.04 1xfg h ASN 132 N 0.86 0.68 -0.02 0.57 -0.73 -0.96 -0.88 115.58 115.10 1xfg h ASN 132 Ca 0.19 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1xfg h ASN 132 Cb 0.27 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 1xfg h ASN 132 CO -0.01 0.60 0.01 -0.25 -0.37 0.00 0.00 177.43 177.41 1xfg h TRP 133 N 0.72 0.02 -0.69 0.67 2.91 -0.05 -1.71 115.95 117.82 1xfg h TRP 133 Ca 0.19 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1xfg h TRP 133 Cb 0.07 -0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 1xfg h TRP 133 CO -0.01 0.01 0.33 0.93 -1.03 0.00 0.00 178.44 178.67 1xfg h GLU 134 N 0.02 0.97 -0.41 2.65 4.39 -0.96 -2.33 114.58 118.91 1xfg h GLU 134 Ca 0.01 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1xfg h GLU 134 Cb 0.00 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1xfg h GLU 134 CO -0.01 0.75 0.01 -0.07 -1.16 0.00 0.00 179.01 178.54 1xfg h LEU 135 N 0.97 0.62 -1.73 1.33 3.38 -0.82 -1.85 115.31 117.21 1xfg h LEU 135 Ca 0.24 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xfg h LEU 135 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xfg h LEU 135 CO -0.03 0.68 0.22 0.11 0.09 0.00 0.00 178.44 179.51 1xfg h LYS 136 N 0.62 0.35 0.00 1.13 1.57 -0.75 -1.03 116.57 118.45 1xfg h LYS 136 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xfg h LYS 136 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xfg h LYS 136 CO 0.01 0.23 0.00 1.04 -0.57 0.00 0.00 179.45 180.16 1xfg n GLN 137 N -4.49 0.11 0.00 3.15 1.13 -0.70 -4.96 117.38 111.63 1xfg n GLN 137 Ca 0.03 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1xfg n GLN 137 Cb 0.14 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 -0.12 2.52 0.40 1.08 0.00 -0.39 -5.13 105.19 103.55 1xfg n GLY 138 Ca 0.05 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.48 -3.34 3.92 -0.02 0.00 -1.26 -4.70 105.19 100.27 1xfg n GLY 139 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.70 2.33 0.22 2.61 -4.23 -1.26 -4.87 115.64 109.74 1xfg s THR 140 Ca 0.00 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1xfg s THR 140 Cb 0.00 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.98 1xfg s THR 140 CO 0.00 -0.04 1.86 0.25 -0.54 0.00 0.00 174.62 176.15 1xfg h LEU 141 N -0.65 0.81 -0.49 4.79 5.85 -1.98 -0.93 115.31 122.71 1xfg h LEU 141 Ca -0.45 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1xfg h LEU 141 Cb 1.31 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1xfg h LEU 141 CO 0.61 0.55 0.20 -0.09 -0.34 0.00 0.00 178.44 179.38 1xfg h ARG 142 N 0.95 0.39 -0.53 1.25 2.43 -1.98 0.06 114.38 116.94 1xfg h ARG 142 Ca 0.32 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1xfg h ARG 142 Cb 0.04 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1xfg h ARG 142 CO -0.12 0.26 0.29 0.93 -1.51 0.00 0.00 179.97 179.82 1xfg h GLU 143 N 0.40 0.75 -0.66 0.20 5.08 -1.79 0.99 114.58 119.55 1xfg h GLU 143 Ca 0.23 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xfg h GLU 143 Cb 0.20 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xfg h GLU 143 CO -0.20 0.58 0.37 0.00 -1.00 0.00 0.00 179.01 178.75 1xfg h ALA 144 N 1.13 0.84 -0.65 3.43 0.00 -0.68 -1.78 119.26 121.55 1xfg h ALA 144 Ca 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1xfg h ALA 144 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xfg h ALA 144 CO -0.03 0.35 0.10 0.28 0.00 0.00 0.00 179.25 179.95 1xfg h VAL 145 N 0.90 1.26 -0.86 0.00 2.07 -0.70 -0.19 116.25 118.73 1xfg h VAL 145 Ca 0.23 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.81 1xfg h VAL 145 Cb 0.02 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1xfg h VAL 145 CO -0.04 0.39 0.56 -0.07 0.02 0.00 0.00 177.57 178.43 1xfg h LEU 146 N 1.00 0.78 -0.27 2.57 3.38 -0.40 -0.29 115.31 122.08 1xfg h LEU 146 Ca 0.20 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 1xfg h LEU 146 Cb 0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xfg h LEU 146 CO 0.01 0.47 -0.88 0.03 0.09 0.00 0.00 178.44 178.16 1xfg h ARG 147 N 0.86 0.21 -0.18 1.13 3.08 -0.86 -3.36 114.38 115.26 1xfg h ARG 147 Ca 0.39 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1xfg h ARG 147 Cb 0.38 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1xfg h ARG 147 CO -0.16 0.96 -0.30 0.00 -1.07 0.00 0.00 179.97 179.41 1xfg h ALA 148 N 0.96 0.28 -0.75 0.04 0.00 0.06 -3.37 119.26 116.47 1xfg h ALA 148 Ca -0.05 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1xfg h ALA 148 Cb 1.51 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1xfg h ALA 148 CO 0.14 0.29 0.45 0.82 0.00 0.00 0.00 179.25 180.95 1xfg h ILE 149 N 0.16 1.01 0.00 0.00 1.08 -1.24 -0.29 117.51 118.23 1xfg h ILE 149 Ca 0.01 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1xfg h ILE 149 Cb 0.88 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1xfg h ILE 149 CO 0.07 0.15 -0.02 -0.65 -0.69 0.00 0.00 178.15 177.01 1xfg h PRO 150 N 0.82 0.00 0.00 2.37 0.11 -1.75 -0.76 132.00 132.79 1xfg h PRO 150 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1xfg h PRO 150 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1xfg h PRO 150 CO -0.17 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 178.68 1xfg n GLN 151 N -3.53 0.18 -3.75 1.05 6.02 -0.12 -4.81 117.38 112.41 1xfg n GLN 151 Ca -0.03 0.22 -0.36 0.00 -0.01 0.00 0.00 57.00 56.83 1xfg n GLN 151 Cb 0.11 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.57 1xfg n GLN 151 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xfg s LEU 152 N -4.14 4.39 -0.03 1.08 1.43 -0.29 -5.00 118.68 116.12 1xfg s LEU 152 Ca 0.10 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1xfg s LEU 152 Cb 0.13 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1xfg s LEU 152 CO 0.52 0.31 -0.25 -0.13 0.23 0.00 0.00 176.35 177.03 1xfg s ARG 153 N -1.44 2.27 0.00 1.70 0.52 -1.26 -5.02 118.95 115.72 1xfg s ARG 153 Ca 0.23 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1xfg s ARG 153 Cb -0.13 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1xfg s ARG 153 CO 0.12 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.36 1xfg n GLY 154 N 2.60 1.54 3.41 -3.53 0.00 -1.26 0.32 105.19 108.26 1xfg n GLY 154 Ca -0.16 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.62 3.28 0.19 4.61 0.00 -1.19 -4.76 121.76 122.27 1xfg s ALA 155 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1xfg s ALA 155 Cb 0.00 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1xfg s ALA 155 CO 0.00 -1.18 0.58 1.52 0.00 0.00 0.00 175.76 176.68 1xfg s TYR 156 N 1.58 -0.31 0.02 0.00 -0.85 0.57 -2.02 117.35 116.35 1xfg s TYR 156 Ca 0.03 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 1xfg s TYR 156 Cb -0.18 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.64 1xfg s TYR 156 CO 0.07 -0.92 -0.09 0.20 -1.52 0.00 0.00 175.55 173.28 1xfg s GLY 157 N -2.82 0.52 0.01 5.49 0.00 -0.11 0.04 107.32 110.44 1xfg s GLY 157 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 1xfg s GLY 157 CO -0.06 -0.60 0.18 -1.08 0.00 0.00 0.00 173.10 171.53 1xfg s THR 158 N -0.78 0.09 -0.04 0.90 -1.32 -0.62 -0.45 115.64 113.42 1xfg s THR 158 Ca -0.02 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.74 1xfg s THR 158 Cb -0.07 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1xfg s THR 158 CO 0.00 -0.42 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.17 1xfg s VAL 159 N -1.85 1.20 -0.02 5.08 1.01 -0.92 -1.27 120.40 123.64 1xfg s VAL 159 Ca -0.11 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1xfg s VAL 159 Cb -0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xfg s VAL 159 CO -0.00 0.36 -0.14 -0.63 0.00 0.00 0.00 175.10 174.69 1xfg s ILE 160 N 0.17 1.09 0.10 2.22 1.01 0.13 -1.93 121.20 123.99 1xfg s ILE 160 Ca -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1xfg s ILE 160 Cb -0.11 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1xfg s ILE 160 CO 0.02 0.31 -0.04 0.00 0.00 0.00 0.00 174.94 175.23 1xfg s MET 161 N -0.20 0.84 -0.25 2.79 0.23 -0.22 -1.44 119.30 121.05 1xfg s MET 161 Ca 0.03 -1.35 0.02 0.00 -1.03 0.00 0.00 55.69 53.37 1xfg s MET 161 Cb -0.07 -0.11 0.06 0.00 -1.53 0.00 0.00 34.83 33.18 1xfg s MET 161 CO -0.00 -0.07 -0.11 0.34 -2.03 0.00 0.00 175.02 173.15 1xfg s ASP 162 N -3.04 4.22 0.60 -1.18 -1.08 -1.26 -0.33 116.67 114.61 1xfg s ASP 162 Ca 0.13 -1.29 0.40 0.00 -0.52 0.00 0.00 52.55 51.28 1xfg s ASP 162 Cb 0.06 -1.49 2.05 0.00 -1.46 0.00 0.00 42.92 42.08 1xfg s ASP 162 CO -0.04 -0.18 2.21 0.77 0.52 0.00 0.00 175.17 178.45 1xfg h SER 163 N 7.81 0.00 1.11 -0.34 4.64 -1.29 0.10 113.55 125.59 1xfg h SER 163 Ca -0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1xfg h SER 163 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1xfg h SER 163 CO 0.47 0.00 -0.18 0.03 -0.87 0.00 0.00 176.83 176.28 1xfg h ARG 164 N 0.00 0.00 -2.25 4.77 3.08 -1.83 -3.36 114.38 114.78 1xfg h ARG 164 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1xfg h ARG 164 Cb 0.14 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.79 1xfg h ARG 164 CO 0.00 0.18 -0.90 0.72 -1.07 0.00 0.00 179.97 178.90 1xfg n HIS 165 N -3.28 0.84 1.08 3.04 8.25 0.36 -4.88 115.22 120.64 1xfg n HIS 165 Ca 0.01 -3.73 0.02 0.00 -0.26 0.00 0.00 57.72 53.76 1xfg n HIS 165 Cb 0.44 -0.29 0.13 0.00 1.12 0.00 0.00 29.99 31.40 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 1.67 0.54 -0.06 -0.41 -0.04 -1.22 -3.46 135.00 132.01 1xfg n PRO 166 Ca 0.25 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1xfg n PRO 166 Cb 0.47 -1.13 0.40 0.00 -0.04 0.00 0.00 33.50 33.20 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 -0.63 1.76 -3.84 3.54 5.68 -1.26 -4.75 116.55 117.04 1xfg n ASP 167 Ca 0.03 -1.67 -0.12 0.00 -0.50 0.00 0.00 54.79 52.53 1xfg n ASP 167 Cb 0.02 -0.08 -0.12 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.84 0.02 0.06 2.12 2.01 -1.23 -4.36 115.64 112.42 1xfg s THR 168 Ca 0.34 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1xfg s THR 168 Cb 0.19 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.44 1xfg s THR 168 CO 0.29 -0.08 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.15 1xfg s LEU 169 N -0.22 2.42 -0.01 4.42 1.43 0.49 -4.60 118.68 122.61 1xfg s LEU 169 Ca -0.03 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1xfg s LEU 169 Cb -0.02 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1xfg s LEU 169 CO 0.00 0.24 -0.15 -0.76 0.23 0.00 0.00 176.35 175.91 1xfg s LEU 170 N -1.48 2.70 0.01 1.79 2.01 -0.52 -0.68 118.68 122.52 1xfg s LEU 170 Ca 0.14 -0.29 -0.00 0.00 0.01 0.00 0.00 54.13 53.98 1xfg s LEU 170 Cb -0.10 -1.56 -0.01 0.00 0.01 0.00 0.00 46.19 44.53 1xfg s LEU 170 CO 0.04 0.30 -0.01 0.00 1.01 0.00 0.00 176.35 177.70 1xfg s ALA 171 N -0.83 0.05 -0.03 4.21 0.00 -0.25 0.19 121.76 125.09 1xfg s ALA 171 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1xfg s ALA 171 Cb -0.11 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1xfg s ALA 171 CO 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 175.76 175.68 1xfg s ALA 172 N -0.71 0.51 -0.28 0.00 0.00 -0.40 -0.20 121.76 120.69 1xfg s ALA 172 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 1xfg s ALA 172 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1xfg s ALA 172 CO -0.00 -0.01 0.07 0.50 0.00 0.00 0.00 175.76 176.31 1xfg s ARG 173 N 0.84 3.19 -0.37 0.00 3.52 -0.58 -1.59 118.95 123.95 1xfg s ARG 173 Ca -0.10 -0.79 0.12 0.00 -0.13 0.00 0.00 55.73 54.83 1xfg s ARG 173 Cb -0.13 -3.35 0.37 0.00 -1.56 0.00 0.00 34.95 30.28 1xfg s ARG 173 CO -0.00 -0.39 0.84 0.45 -0.81 0.00 0.00 175.30 175.39 1xfg n SER 174 N 4.87 0.47 0.00 -2.12 2.88 0.11 -0.46 113.62 119.37 1xfg n SER 174 Ca -0.15 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 1xfg n SER 174 Cb 0.49 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.19 1.10 3.00 0.46 0.00 -1.16 -0.31 105.19 108.46 1xfg n GLY 175 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.71 -0.10 0.43 1.61 0.15 -1.18 -4.35 113.70 108.54 1xfg s SER 176 Ca 0.00 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.60 1xfg s SER 176 Cb 0.00 0.23 -0.08 0.00 -1.71 0.00 0.00 66.02 64.46 1xfg s SER 176 CO 0.00 -0.06 1.22 -2.84 1.20 0.00 0.00 173.24 172.76 1xfg s PRO 177 N -0.05 3.87 -0.05 5.44 0.02 -1.26 -4.40 135.00 138.57 1xfg s PRO 177 Ca -0.01 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 62.88 1xfg s PRO 177 Cb -0.01 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 31.93 1xfg s PRO 177 CO 0.00 -0.51 0.17 -0.51 -0.33 0.00 0.00 177.00 175.83 1xfg s LEU 178 N -2.71 1.36 -0.00 -5.54 1.43 -1.26 -4.47 118.68 107.48 1xfg s LEU 178 Ca 0.60 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1xfg s LEU 178 Cb -0.33 0.64 -0.00 0.00 0.03 0.00 0.00 46.19 46.53 1xfg s LEU 178 CO 0.41 -0.14 -0.05 0.54 0.23 0.00 0.00 176.35 177.34 1xfg s VAL 179 N -0.28 0.38 -0.06 -1.59 0.11 0.40 -1.86 120.40 117.51 1xfg s VAL 179 Ca -0.04 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 1xfg s VAL 179 Cb -0.03 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1xfg s VAL 179 CO 0.01 0.11 0.31 -0.63 -3.33 0.00 0.00 175.10 171.57 1xfg s ILE 180 N -0.10 5.21 -0.18 7.04 1.01 0.62 -1.04 121.20 133.76 1xfg s ILE 180 Ca 0.02 0.62 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 1xfg s ILE 180 Cb -0.02 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1xfg s ILE 180 CO -0.00 0.57 -0.00 -0.83 0.00 0.00 0.00 174.94 174.67 1xfg s GLY 181 N -0.85 1.76 -0.25 6.18 0.00 0.35 -0.68 107.32 113.82 1xfg s GLY 181 Ca 0.20 -0.87 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 1xfg s GLY 181 CO 0.09 0.08 0.40 1.08 0.00 0.00 0.00 173.10 174.76 1xfg s LEU 182 N 0.63 4.07 0.00 0.66 1.43 -0.28 -0.16 118.68 125.02 1xfg s LEU 182 Ca -0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1xfg s LEU 182 Cb -0.14 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1xfg s LEU 182 CO 0.02 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1xfg n GLY 183 N 4.46 3.94 3.30 -3.19 0.00 0.33 -4.57 105.19 109.47 1xfg n GLY 183 Ca -0.08 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.92 2.68 -1.32 1.61 -1.94 -1.26 -4.18 119.30 113.97 1xfg s MET 184 Ca 0.00 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 1xfg s MET 184 Cb 0.00 -3.77 0.00 0.00 2.01 0.00 0.00 34.83 33.07 1xfg s MET 184 CO 0.00 -0.87 0.00 0.41 -0.01 0.00 0.00 175.02 174.55 1xfg n GLY 185 N 4.95 1.33 3.38 -0.03 0.00 -1.26 -4.99 105.19 108.57 1xfg n GLY 185 Ca -0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.03 1.12 0.09 1.61 -1.05 -0.94 -4.30 118.70 112.20 1xfg s GLU 186 Ca 0.00 -0.44 -0.01 0.00 -0.15 0.00 0.00 54.97 54.36 1xfg s GLU 186 Cb 0.00 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 1xfg s GLU 186 CO 0.00 -0.44 0.02 -0.80 0.95 0.00 0.00 175.26 174.99 1xfg s ASN 187 N -2.45 0.39 0.20 0.83 0.01 -0.53 -0.51 114.94 112.88 1xfg s ASN 187 Ca -0.01 -1.08 -0.02 0.00 -0.71 0.00 0.00 52.86 51.04 1xfg s ASN 187 Cb 0.00 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 1xfg s ASN 187 CO -0.08 -0.67 0.15 -0.36 -1.51 0.00 0.00 177.10 174.63 1xfg s PHE 188 N -3.98 1.07 -0.03 2.20 0.08 0.77 -1.24 117.98 116.86 1xfg s PHE 188 Ca 0.15 -1.32 -0.12 0.00 0.12 0.00 0.00 56.93 55.77 1xfg s PHE 188 Cb 0.08 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 1xfg s PHE 188 CO -0.05 -0.66 0.25 -1.50 -0.10 0.00 0.00 175.22 173.17 1xfg s ILE 189 N -4.14 0.05 0.21 0.64 2.07 -0.37 -0.50 121.20 119.17 1xfg s ILE 189 Ca 0.36 -0.44 -0.19 0.00 -1.41 0.00 0.00 60.65 58.97 1xfg s ILE 189 Cb 0.06 -0.52 0.03 0.00 0.13 0.00 0.00 42.46 42.17 1xfg s ILE 189 CO 0.11 -0.24 0.59 0.00 -1.91 0.00 0.00 174.94 173.49 1xfg s ALA 190 N -1.05 -1.12 -1.23 1.50 0.00 -0.21 0.41 121.76 120.06 1xfg s ALA 190 Ca -0.11 -0.13 0.28 0.00 0.00 0.00 0.00 51.96 52.00 1xfg s ALA 190 Cb -0.05 0.87 1.11 0.00 0.00 0.00 0.00 23.12 25.05 1xfg s ALA 190 CO 0.03 -0.87 1.81 -1.13 0.00 0.00 0.00 175.76 175.61 1xfg n SER 191 N -0.38 0.24 -3.68 0.00 3.41 -0.31 -0.45 113.62 112.44 1xfg n SER 191 Ca -0.09 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 1xfg n SER 191 Cb 0.62 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.81 -0.35 0.62 4.04 -1.08 -1.26 -4.54 116.67 111.29 1xfg s ASP 192 Ca 0.19 0.91 0.31 0.00 -0.52 0.00 0.00 52.55 53.45 1xfg s ASP 192 Cb 0.19 1.00 1.73 0.00 -1.46 0.00 0.00 42.92 44.38 1xfg s ASP 192 CO 0.54 -0.21 2.05 0.06 0.52 0.00 0.00 175.17 178.13 1xfg h GLN 193 N 7.63 0.00 -0.35 4.34 3.07 -1.93 -1.60 115.11 126.26 1xfg h GLN 193 Ca -0.27 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.50 1xfg h GLN 193 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.69 1xfg h GLN 193 CO 0.21 0.00 0.24 1.25 0.09 0.00 0.00 178.83 180.62 1xfg h LEU 194 N 0.00 0.31 -1.78 0.06 7.12 -1.95 -0.28 115.31 118.79 1xfg h LEU 194 Ca 0.07 -0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 1xfg h LEU 194 Cb 0.60 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1xfg h LEU 194 CO -0.00 0.22 -0.14 0.00 -0.13 0.00 0.00 178.44 178.38 1xfg h ALA 195 N 1.80 1.63 -0.01 1.25 0.00 -1.57 -3.21 119.26 119.15 1xfg h ALA 195 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xfg h ALA 195 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xfg h ALA 195 CO -0.03 0.18 -0.39 1.28 0.00 0.00 0.00 179.25 180.28 1xfg n LEU 196 N -4.17 1.46 -0.12 0.00 4.77 -0.13 -4.24 117.00 114.57 1xfg n LEU 196 Ca -0.02 -0.72 0.13 0.00 -0.03 0.00 0.00 56.01 55.36 1xfg n LEU 196 Cb 0.22 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.79 1xfg n LEU 196 CO 0.34 0.29 1.20 -0.07 -1.33 0.00 0.00 177.39 177.82 1xfg h LEU 197 N 1.47 0.41 -2.81 2.23 3.38 -1.53 -0.23 115.31 118.23 1xfg h LEU 197 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xfg h LEU 197 Cb 0.51 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xfg h LEU 197 CO 0.00 0.24 0.01 -0.65 0.09 0.00 0.00 178.44 178.12 1xfg h PRO 198 N 0.45 0.00 0.00 1.13 0.11 -1.84 -3.28 132.00 128.57 1xfg h PRO 198 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1xfg h PRO 198 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1xfg h PRO 198 CO -0.10 0.00 -0.96 1.33 -0.21 0.00 0.00 178.00 178.06 1xfg n VAL 199 N -3.34 0.00 -3.54 3.15 0.24 -0.17 -5.06 118.33 109.61 1xfg n VAL 199 Ca -0.03 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1xfg n VAL 199 Cb 0.08 0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.97 0.03 -0.04 3.34 -1.32 -0.74 -4.92 115.64 110.03 1xfg s THR 200 Ca -0.00 -0.28 0.05 0.00 -1.21 0.00 0.00 61.69 60.25 1xfg s THR 200 Cb 0.00 -1.06 0.08 0.00 -1.51 0.00 0.00 72.50 70.01 1xfg s THR 200 CO 0.02 -0.16 1.02 0.54 -2.21 0.00 0.00 174.62 173.83 1xfg n ARG 201 N -0.14 2.29 -4.78 7.08 5.12 -1.26 -4.02 116.66 120.95 1xfg n ARG 201 Ca -0.17 -1.75 -0.33 0.00 -1.93 0.00 0.00 57.85 53.68 1xfg n ARG 201 Cb 0.63 -1.11 -0.16 0.00 -1.16 0.00 0.00 32.46 30.67 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 -1.46 3.19 0.09 5.56 0.52 -1.26 0.11 118.95 125.69 1xfg s ARG 202 Ca 0.09 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 1xfg s ARG 202 Cb 0.08 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 1xfg s ARG 202 CO 0.01 0.10 -0.11 -0.06 0.02 0.00 0.00 175.30 175.26 1xfg s PHE 203 N 0.59 1.10 -0.15 -0.53 0.08 0.10 -1.12 117.98 118.05 1xfg s PHE 203 Ca -0.10 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.35 1xfg s PHE 203 Cb -0.16 -0.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 1xfg s PHE 203 CO 0.03 0.02 -0.15 0.42 -0.10 0.00 0.00 175.22 175.45 1xfg s ILE 204 N -2.16 1.61 0.07 0.64 1.01 0.14 0.12 121.20 122.63 1xfg s ILE 204 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1xfg s ILE 204 Cb -0.05 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1xfg s ILE 204 CO 0.01 0.46 0.98 -0.36 0.00 0.00 0.00 174.94 176.03 1xfg s PHE 205 N 1.47 3.74 0.45 3.97 0.08 -1.26 -0.27 117.98 126.16 1xfg s PHE 205 Ca 0.05 1.75 -0.21 0.00 0.12 0.00 0.00 56.93 58.64 1xfg s PHE 205 Cb -0.13 -3.09 -0.10 0.00 -0.57 0.00 0.00 43.02 39.13 1xfg s PHE 205 CO -0.11 0.08 0.98 -0.51 -0.10 0.00 0.00 175.22 175.56 1xfg s LEU 206 N 0.40 3.92 0.36 -0.37 1.43 -0.78 -4.92 118.68 118.72 1xfg s LEU 206 Ca 0.49 1.78 0.07 0.00 -1.03 0.00 0.00 54.13 55.44 1xfg s LEU 206 Cb -0.23 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.45 1xfg s LEU 206 CO 0.29 -0.50 0.44 -1.61 0.23 0.00 0.00 176.35 175.20 1xfg s GLU 207 N -3.17 2.91 0.15 1.70 0.41 -1.26 -4.71 118.70 114.72 1xfg s GLU 207 Ca 0.64 -1.18 -0.33 0.00 -0.41 0.00 0.00 54.97 53.69 1xfg s GLU 207 Cb -0.12 -2.68 -0.13 0.00 -1.78 0.00 0.00 34.13 29.42 1xfg s GLU 207 CO 0.16 -0.03 1.69 -1.91 -0.49 0.00 0.00 175.26 174.68 1xfg n GLU 208 N -1.61 2.46 -0.20 1.61 4.07 -1.26 -1.67 120.64 124.03 1xfg n GLU 208 Ca 0.02 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 1xfg n GLU 208 Cb 0.59 -2.71 0.00 0.00 -0.06 0.00 0.00 31.44 29.26 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 0.75 3.76 8.31 0.00 0.39 -5.03 105.19 117.18 1xfg n GLY 209 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.87 7.01 -0.14 1.61 1.01 -0.67 -4.02 116.67 118.59 1xfg s ASP 210 Ca 0.00 2.36 0.01 0.00 0.71 0.00 0.00 52.55 55.63 1xfg s ASP 210 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1xfg s ASP 210 CO 0.00 -0.33 -0.18 -0.63 0.21 0.00 0.00 175.17 174.24 1xfg s ILE 211 N -1.23 1.78 -0.10 0.77 1.01 0.11 -1.53 121.20 122.01 1xfg s ILE 211 Ca 0.48 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 1xfg s ILE 211 Cb -0.33 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1xfg s ILE 211 CO 0.42 0.50 -0.08 0.00 0.00 0.00 0.00 174.94 175.77 1xfg s ALA 212 N 1.15 2.87 -0.23 9.38 0.00 0.72 -0.27 121.76 135.37 1xfg s ALA 212 Ca -0.01 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1xfg s ALA 212 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1xfg s ALA 212 CO -0.07 0.40 0.05 -2.00 0.00 0.00 0.00 175.76 174.15 1xfg s GLU 213 N -0.23 3.69 -0.14 0.00 2.12 0.96 -1.10 118.70 124.01 1xfg s GLU 213 Ca 0.03 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.91 1xfg s GLU 213 Cb -0.13 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.01 1xfg s GLU 213 CO 0.03 -0.08 -0.21 0.42 -0.54 0.00 0.00 175.26 174.87 1xfg s ILE 214 N 1.31 2.16 0.45 -3.70 1.01 0.15 -0.80 121.20 121.77 1xfg s ILE 214 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1xfg s ILE 214 Cb -0.15 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1xfg s ILE 214 CO 0.03 0.55 0.07 0.35 0.00 0.00 0.00 174.94 175.94 1xfg n THR 215 N 4.02 0.00 0.29 2.92 -2.24 -0.33 -0.38 114.28 118.56 1xfg n THR 215 Ca -0.20 -2.03 0.15 0.00 -2.27 0.00 0.00 64.05 59.70 1xfg n THR 215 Cb 0.52 0.31 0.86 0.00 -2.10 0.00 0.00 70.33 69.91 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 -1.78 -3.23 114.38 111.68 1xfg h ARG 216 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1xfg h ARG 216 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1xfg h ARG 216 CO 0.58 0.06 -0.04 0.54 -1.07 0.00 0.00 179.97 180.04 1xfg n ARG 217 N -3.65 4.62 -3.71 0.04 5.12 -1.26 -2.22 116.66 115.61 1xfg n ARG 217 Ca -0.02 -0.15 -0.12 0.00 -1.93 0.00 0.00 57.85 55.63 1xfg n ARG 217 Cb 0.16 -0.68 -0.06 0.00 -1.16 0.00 0.00 32.46 30.72 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 -0.83 -0.18 -0.11 0.55 1.04 -1.22 -5.03 113.70 107.92 1xfg s SER 218 Ca 0.01 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1xfg s SER 218 Cb 0.01 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1xfg s SER 218 CO 0.04 -0.68 -0.10 -0.69 0.98 0.00 0.00 173.24 172.78 1xfg s VAL 219 N -2.85 1.14 -0.11 5.02 1.01 -1.26 -1.18 120.40 122.17 1xfg s VAL 219 Ca -0.03 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1xfg s VAL 219 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1xfg s VAL 219 CO -0.05 0.38 -0.18 0.20 0.00 0.00 0.00 175.10 175.45 1xfg s ASN 220 N 1.42 2.63 -0.03 3.32 0.01 0.02 -4.98 114.94 117.32 1xfg s ASN 220 Ca 0.00 -0.48 0.06 0.00 -0.71 0.00 0.00 52.86 51.74 1xfg s ASN 220 Cb -0.13 -1.19 -0.02 0.00 0.41 0.00 0.00 41.25 40.31 1xfg s ASN 220 CO -0.06 0.05 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.74 1xfg s ILE 221 N 0.86 2.51 0.09 0.60 1.01 -1.26 -0.02 121.20 124.99 1xfg s ILE 221 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1xfg s ILE 221 Cb -0.15 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1xfg s ILE 221 CO -0.00 0.58 -0.08 -0.36 0.00 0.00 0.00 174.94 175.08 1xfg s PHE 222 N -0.67 0.95 0.48 3.97 0.40 0.62 -0.69 117.98 123.05 1xfg s PHE 222 Ca 0.11 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1xfg s PHE 222 Cb -0.10 -0.53 0.09 0.00 0.51 0.00 0.00 43.02 42.99 1xfg s PHE 222 CO -0.00 -0.07 0.66 -0.40 0.70 0.00 0.00 175.22 176.11 1xfg n ASP 223 N 0.39 0.98 0.13 1.36 5.68 0.00 0.07 116.55 125.16 1xfg n ASP 223 Ca -0.15 -1.80 0.12 0.00 -0.50 0.00 0.00 54.79 52.46 1xfg n ASP 223 Cb 0.59 -0.42 0.49 0.00 -1.14 0.00 0.00 41.12 40.64 1xfg n ASP 223 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1xfg n LYS 224 N -2.19 0.21 -0.00 0.11 -0.00 -1.26 -0.83 118.16 114.19 1xfg n LYS 224 Ca 0.11 0.41 0.14 0.00 -0.00 0.00 0.00 58.31 58.97 1xfg n LYS 224 Cb 0.40 -1.88 0.47 0.00 -0.00 0.00 0.00 35.03 34.02 1xfg n LYS 224 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1xfg n THR 225 N -2.26 0.01 -0.65 0.58 -2.24 -1.26 -4.90 114.28 103.56 1xfg n THR 225 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1xfg n THR 225 Cb 0.25 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.19 0.67 3.76 3.38 0.00 -0.01 -5.04 105.19 109.15 1xfg n GLY 226 Ca 0.18 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.38 0.20 4.61 0.00 -1.26 -4.75 121.76 121.94 1xfg s ALA 227 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1xfg s ALA 227 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1xfg s ALA 227 CO 0.00 -0.26 0.96 -2.00 0.00 0.00 0.00 175.76 174.46 1xfg s GLU 228 N -1.63 4.79 0.20 0.00 2.12 -1.26 -0.82 118.70 122.10 1xfg s GLU 228 Ca 0.47 1.51 0.10 0.00 0.36 0.00 0.00 54.97 57.41 1xfg s GLU 228 Cb -0.32 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xfg s GLU 228 CO 0.42 0.39 -0.20 0.14 -0.54 0.00 0.00 175.26 175.47 1xfg s VAL 229 N -0.79 2.07 -0.16 3.70 -7.23 0.14 -4.89 120.40 113.23 1xfg s VAL 229 Ca 0.43 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1xfg s VAL 229 Cb -0.26 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1xfg s VAL 229 CO 0.32 -0.32 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.17 1xfg s LYS 230 N -3.01 3.47 0.05 4.82 -0.14 -1.26 -4.35 119.74 119.32 1xfg s LYS 230 Ca 0.20 -0.62 0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1xfg s LYS 230 Cb -0.05 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 1xfg s LYS 230 CO 0.09 0.13 -0.25 1.03 -0.76 0.00 0.00 175.35 175.59 1xfg s ARG 231 N 0.60 1.65 0.08 1.68 1.81 -1.26 -5.12 118.95 118.39 1xfg s ARG 231 Ca -0.05 -1.08 -0.17 0.00 -1.72 0.00 0.00 55.73 52.71 1xfg s ARG 231 Cb -0.15 -1.84 -0.07 0.00 -0.45 0.00 0.00 34.95 32.45 1xfg s ARG 231 CO 0.03 0.47 0.53 1.14 -0.68 0.00 0.00 175.30 176.79 1xfg s GLN 232 N -1.29 4.06 0.05 3.54 -2.07 -1.26 -5.06 119.66 117.64 1xfg s GLN 232 Ca 0.11 0.58 -0.11 0.00 -1.82 0.00 0.00 55.36 54.12 1xfg s GLN 232 Cb -0.10 -3.13 -0.06 0.00 -1.09 0.00 0.00 33.01 28.64 1xfg s GLN 232 CO 0.02 0.59 0.39 0.16 -1.32 0.00 0.00 175.29 175.13 1xfg s ASP 233 N -1.33 6.66 0.05 12.60 -4.77 -1.26 -4.47 116.67 124.15 1xfg s ASP 233 Ca 0.31 0.81 0.07 0.00 -3.30 0.00 0.00 52.55 50.43 1xfg s ASP 233 Cb -0.17 -2.18 -0.02 0.00 -1.09 0.00 0.00 42.92 39.45 1xfg s ASP 233 CO 0.18 0.21 -0.19 -0.63 0.70 0.00 0.00 175.17 175.44 1xfg s ILE 234 N -1.32 1.54 -0.11 2.11 1.01 0.12 -4.91 121.20 119.64 1xfg s ILE 234 Ca 0.30 -1.17 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1xfg s ILE 234 Cb -0.14 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1xfg s ILE 234 CO 0.17 0.14 0.30 -0.70 0.00 0.00 0.00 174.94 174.85 1xfg s GLU 235 N -1.21 4.02 -0.36 2.79 2.56 -1.26 0.03 118.70 125.28 1xfg s GLU 235 Ca 0.06 0.15 0.03 0.00 0.00 0.00 0.00 54.97 55.22 1xfg s GLU 235 Cb -0.09 -3.33 0.16 0.00 2.00 0.00 0.00 34.13 32.87 1xfg s GLU 235 CO 0.02 0.45 0.40 0.45 -0.56 0.00 0.00 175.26 176.03 1xfg s SER 236 N -0.21 0.79 -0.33 -1.70 0.15 0.12 -4.98 113.70 107.54 1xfg s SER 236 Ca 0.18 -1.27 -0.24 0.00 0.70 0.00 0.00 55.95 55.32 1xfg s SER 236 Cb -0.14 0.79 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1xfg s SER 236 CO 0.07 -0.27 0.84 0.20 1.20 0.00 0.00 173.24 175.28 1xfg s ASN 237 N 1.69 6.67 0.00 5.45 0.01 -1.26 -4.86 114.94 122.64 1xfg s ASN 237 Ca 0.15 0.62 0.28 0.00 -0.71 0.00 0.00 52.86 53.21 1xfg s ASN 237 Cb -0.13 -2.43 1.14 0.00 0.41 0.00 0.00 41.25 40.24 1xfg s ASN 237 CO -0.10 -0.71 1.80 0.18 -1.51 0.00 0.00 177.10 176.76