#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqi n GLY 3 N 0.00 1.76 0.27 3.38 0.00 -1.20 -4.89 105.19 104.51 2aqi n GLY 3 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2aqi n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aqi h LEU 4 N 0.00 0.22 -3.13 0.99 5.85 -1.90 -2.35 115.31 114.99 2aqi h LEU 4 Ca 0.00 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2aqi h LEU 4 Cb 0.00 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2aqi h LEU 4 CO 0.00 0.07 -0.12 0.18 -0.34 0.00 0.00 178.44 178.23 2aqi n LEU 5 N -5.04 3.15 -4.67 2.25 4.32 0.32 -4.72 117.00 112.62 2aqi n LEU 5 Ca 0.14 -3.39 -0.47 0.00 -0.02 0.00 0.00 56.01 52.27 2aqi n LEU 5 Cb 0.42 -0.52 -0.04 0.00 -1.62 0.00 0.00 43.42 41.65 2aqi n LEU 5 CO 0.17 0.97 1.54 -0.67 -1.22 0.00 0.00 177.39 178.18 2aqi n ASP 6 N -1.09 3.57 0.00 -1.43 4.64 -0.89 -0.57 116.55 120.79 2aqi n ASP 6 Ca 0.22 0.92 0.00 0.00 -1.38 0.00 0.00 54.79 54.54 2aqi n ASP 6 Cb 0.79 -1.41 0.00 0.00 -1.04 0.00 0.00 41.12 39.47 2aqi n ASP 6 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2aqi n GLY 7 N 4.54 3.01 3.77 0.27 0.00 -1.14 -4.86 105.19 110.78 2aqi n GLY 7 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2aqi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqi s LYS 8 N -0.46 4.10 -0.20 1.61 1.02 0.27 -4.81 119.74 121.26 2aqi s LYS 8 Ca 0.00 1.89 -0.05 0.00 0.02 0.00 0.00 55.97 57.83 2aqi s LYS 8 Cb 0.00 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2aqi s LYS 8 CO 0.00 -0.30 0.00 1.03 -0.92 0.00 0.00 175.35 175.16 2aqi s ARG 9 N -2.21 3.60 -0.06 1.68 0.52 -1.26 -0.13 118.95 121.09 2aqi s ARG 9 Ca 0.56 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 55.23 2aqi s ARG 9 Cb -0.32 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.09 2aqi s ARG 9 CO 0.41 -0.01 0.00 0.42 0.02 0.00 0.00 175.30 176.13 2aqi s ILE 10 N 1.06 0.35 -0.06 1.52 1.01 0.19 -0.05 121.20 125.22 2aqi s ILE 10 Ca 0.02 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 2aqi s ILE 10 Cb -0.14 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 2aqi s ILE 10 CO 0.02 0.24 1.04 -0.22 0.00 0.00 0.00 174.94 176.02 2aqi s LEU 11 N 1.81 4.29 -0.24 2.97 0.20 -0.26 -1.64 118.68 125.81 2aqi s LEU 11 Ca 0.02 1.64 0.01 0.00 0.69 0.00 0.00 54.13 56.49 2aqi s LEU 11 Cb -0.13 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.11 2aqi s LEU 11 CO -0.04 -0.42 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.80 2aqi s VAL 12 N 1.71 2.43 0.64 1.68 1.01 0.53 -0.14 120.40 128.26 2aqi s VAL 12 Ca 0.51 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2aqi s VAL 12 Cb -0.21 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 33.93 2aqi s VAL 12 CO 0.22 0.14 0.93 -0.94 0.00 0.00 0.00 175.10 175.45 2aqi s SER 13 N 1.22 5.06 0.00 3.32 1.04 -0.69 -1.29 113.70 122.35 2aqi s SER 13 Ca -0.03 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2aqi s SER 13 Cb -0.18 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.81 2aqi s SER 13 CO -0.06 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.38 2aqi n GLY 14 N -2.71 0.72 3.68 7.32 0.00 -1.23 -4.19 105.19 108.78 2aqi n GLY 14 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2aqi n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aqi s ILE 15 N -2.59 4.04 0.00 -0.61 1.01 -1.26 -4.56 121.20 117.24 2aqi s ILE 15 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2aqi s ILE 15 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2aqi s ILE 15 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.90 2aqi n ILE 16 N 4.87 0.00 -4.42 2.92 0.13 -1.26 -4.81 119.36 116.80 2aqi n ILE 16 Ca 0.13 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.56 2aqi n ILE 16 Cb 0.45 -0.29 -0.09 0.00 -0.84 0.00 0.00 39.64 38.87 2aqi n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2aqi s THR 17 N -1.52 0.50 -1.23 9.51 -4.23 -1.26 -4.49 115.64 112.92 2aqi s THR 17 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 2aqi s THR 17 Cb 0.00 -2.47 0.32 0.00 1.34 0.00 0.00 72.50 71.69 2aqi s THR 17 CO 0.00 0.00 1.78 -0.90 -0.54 0.00 0.00 174.62 174.96 2aqi n ASP 18 N -1.11 0.00 -0.90 3.99 5.75 -1.26 -2.08 116.55 120.95 2aqi n ASP 18 Ca -0.02 0.20 0.10 0.00 -0.01 0.00 0.00 54.79 55.07 2aqi n ASP 18 Cb 0.65 -0.39 0.13 0.00 -1.03 0.00 0.00 41.12 40.48 2aqi n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2aqi n SER 19 N -1.39 2.93 -4.65 -1.12 3.41 -1.26 -4.78 113.62 106.77 2aqi n SER 19 Ca 0.09 -1.88 -0.45 0.00 -0.26 0.00 0.00 58.87 56.37 2aqi n SER 19 Cb 0.23 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2aqi n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2aqi n SER 20 N 1.19 2.36 -0.23 4.04 7.64 -0.88 -4.66 113.62 123.08 2aqi n SER 20 Ca 0.14 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2aqi n SER 20 Cb 0.52 -1.38 0.12 0.00 -1.01 0.00 0.00 64.21 62.45 2aqi n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2aqi h ILE 21 N 2.82 0.86 -0.15 0.44 2.04 -1.90 -1.64 117.51 119.98 2aqi h ILE 21 Ca -0.44 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.27 2aqi h ILE 21 Cb 1.29 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2aqi h ILE 21 CO 0.72 0.10 0.12 0.00 0.00 0.00 0.00 178.15 179.09 2aqi h ALA 22 N 1.40 1.97 0.07 1.87 0.00 -1.86 -1.29 119.26 121.43 2aqi h ALA 22 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2aqi h ALA 22 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2aqi h ALA 22 CO -0.25 -0.20 -0.08 0.35 0.00 0.00 0.00 179.25 179.07 2aqi h PHE 23 N 0.00 -0.20 -0.67 0.00 3.04 -1.56 0.69 116.94 118.24 2aqi h PHE 23 Ca 0.07 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 2aqi h PHE 23 Cb 0.32 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2aqi h PHE 23 CO 0.00 -0.12 0.11 0.45 -2.02 0.00 0.00 178.31 176.72 2aqi h HIS 24 N -0.17 1.19 -0.12 0.41 3.86 -1.36 0.11 115.15 119.07 2aqi h HIS 24 Ca 0.01 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2aqi h HIS 24 Cb 0.17 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 2aqi h HIS 24 CO -0.11 0.99 -0.12 0.82 0.86 0.00 0.00 177.93 180.38 2aqi h ILE 25 N 1.04 0.67 -0.48 2.45 2.04 -1.16 -0.07 117.51 122.00 2aqi h ILE 25 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2aqi h ILE 25 Cb 0.45 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2aqi h ILE 25 CO 0.01 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.42 2aqi h ALA 26 N 0.92 0.62 -0.05 1.87 0.00 -0.57 -0.50 119.26 121.56 2aqi h ALA 26 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2aqi h ALA 26 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2aqi h ALA 26 CO -0.20 0.14 -0.05 -0.09 0.00 0.00 0.00 179.25 179.05 2aqi h ARG 27 N 0.64 -0.06 -0.43 0.00 2.43 -0.62 -1.30 114.38 115.03 2aqi h ARG 27 Ca 0.17 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2aqi h ARG 27 Cb 0.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2aqi h ARG 27 CO -0.03 -0.04 -0.05 0.28 -1.51 0.00 0.00 179.97 178.63 2aqi h VAL 28 N -0.06 1.24 0.05 0.20 2.07 -0.81 -0.81 116.25 118.13 2aqi h VAL 28 Ca 0.04 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2aqi h VAL 28 Cb 0.12 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2aqi h VAL 28 CO -0.09 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 177.84 2aqi h ALA 29 N 1.26 -0.07 -0.45 1.67 0.00 -0.81 -1.09 119.26 119.78 2aqi h ALA 29 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2aqi h ALA 29 Cb 0.49 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2aqi h ALA 29 CO 0.03 -0.42 -0.05 1.96 0.00 0.00 0.00 179.25 180.76 2aqi h GLN 30 N -0.29 0.05 -0.11 0.00 4.20 -1.16 0.16 115.11 117.96 2aqi h GLN 30 Ca -0.01 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.73 2aqi h GLN 30 Cb 0.26 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2aqi h GLN 30 CO 0.01 0.04 0.11 0.93 -0.67 0.00 0.00 178.83 179.25 2aqi h GLU 31 N 0.06 0.00 -0.46 1.46 5.08 -0.95 -1.54 114.58 118.23 2aqi h GLU 31 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2aqi h GLU 31 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2aqi h GLU 31 CO -0.42 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.63 2aqi n GLN 32 N -3.99 2.31 0.00 2.33 1.13 0.50 -4.79 117.38 114.87 2aqi n GLN 32 Ca -0.00 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.05 2aqi n GLN 32 Cb 0.22 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2aqi n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aqi n GLY 33 N 1.41 0.70 3.81 1.08 0.00 -0.58 -0.52 105.19 111.09 2aqi n GLY 33 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2aqi n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqi s ALA 34 N -2.00 2.86 -0.19 4.61 0.00 -0.78 -2.89 121.76 123.37 2aqi s ALA 34 Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 2aqi s ALA 34 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2aqi s ALA 34 CO 0.00 -0.55 0.01 -1.14 0.00 0.00 0.00 175.76 174.08 2aqi s GLN 35 N -3.91 3.72 0.01 0.00 -0.44 0.82 -4.37 119.66 115.49 2aqi s GLN 35 Ca 0.63 -0.48 0.01 0.00 -2.50 0.00 0.00 55.36 53.02 2aqi s GLN 35 Cb -0.14 -3.08 -0.04 0.00 -1.64 0.00 0.00 33.01 28.11 2aqi s GLN 35 CO 0.32 0.13 0.05 -0.51 0.50 0.00 0.00 175.29 175.77 2aqi s LEU 36 N 0.71 3.72 -0.10 3.68 1.43 -1.26 -0.64 118.68 126.22 2aqi s LEU 36 Ca 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2aqi s LEU 36 Cb -0.14 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2aqi s LEU 36 CO 0.02 0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 176.01 2aqi s VAL 37 N -1.18 2.78 0.09 -1.59 1.01 -0.65 -3.92 120.40 116.94 2aqi s VAL 37 Ca 0.22 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2aqi s VAL 37 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2aqi s VAL 37 CO 0.13 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 175.09 2aqi s LEU 38 N 0.05 3.72 0.14 3.92 1.43 0.11 -0.35 118.68 127.71 2aqi s LEU 38 Ca -0.06 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2aqi s LEU 38 Cb -0.15 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2aqi s LEU 38 CO 0.05 0.16 -0.20 0.42 0.23 0.00 0.00 176.35 177.00 2aqi s THR 39 N -1.43 1.86 0.04 5.49 -4.23 -0.41 -0.43 115.64 116.54 2aqi s THR 39 Ca 0.29 -1.79 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 2aqi s THR 39 Cb -0.12 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2aqi s THR 39 CO 0.21 -0.18 0.11 -0.83 -0.54 0.00 0.00 174.62 173.39 2aqi s GLY 40 N -2.37 0.15 0.00 3.99 0.00 -0.70 -3.48 107.32 104.91 2aqi s GLY 40 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2aqi s GLY 40 CO 0.06 -0.67 0.00 0.33 0.00 0.00 0.00 173.10 172.82 2aqi n PHE 41 N 0.71 0.00 0.56 1.90 -0.00 -1.26 -0.78 117.46 118.58 2aqi n PHE 41 Ca -0.19 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.32 2aqi n PHE 41 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.04 2aqi n PHE 41 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2aqi n ASP 42 N -0.84 1.05 -3.22 -2.13 5.75 -1.26 -4.64 116.55 111.25 2aqi n ASP 42 Ca 0.00 -1.02 -0.24 0.00 -0.01 0.00 0.00 54.79 53.52 2aqi n ASP 42 Cb 0.00 0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 40.71 2aqi n ASP 42 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2aqi n ARG 43 N -0.64 1.54 -0.22 0.11 5.12 -1.26 -4.95 116.66 116.36 2aqi n ARG 43 Ca 0.04 -3.83 -0.08 0.00 -1.93 0.00 0.00 57.85 52.05 2aqi n ARG 43 Cb 0.23 -1.70 0.03 0.00 -1.16 0.00 0.00 32.46 29.86 2aqi n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2aqi h LEU 44 N 3.74 0.94 -0.72 0.55 -0.00 -1.93 -0.87 115.31 117.02 2aqi h LEU 44 Ca 0.12 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2aqi h LEU 44 Cb 0.79 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 2aqi h LEU 44 CO 0.61 0.94 0.44 -0.09 -0.00 0.00 0.00 178.44 180.33 2aqi h ARG 45 N 0.90 0.98 -0.16 1.13 9.65 -1.99 -0.70 114.38 124.19 2aqi h ARG 45 Ca 0.19 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2aqi h ARG 45 Cb 0.37 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2aqi h ARG 45 CO 0.00 0.70 0.06 1.25 2.80 0.00 0.00 179.97 184.78 2aqi h LEU 46 N 0.99 0.23 -0.45 3.80 5.85 -1.86 -1.67 115.31 122.19 2aqi h LEU 46 Ca 0.26 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2aqi h LEU 46 Cb -0.03 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2aqi h LEU 46 CO -0.05 0.35 0.14 0.74 -0.34 0.00 0.00 178.44 179.27 2aqi h THR 47 N 0.10 0.82 -0.39 1.05 2.02 -0.80 0.22 112.91 115.93 2aqi h THR 47 Ca 0.05 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2aqi h THR 47 Cb 0.19 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2aqi h THR 47 CO -0.00 0.05 0.22 -0.61 0.37 0.00 0.00 175.52 175.55 2aqi h GLN 48 N 0.29 0.44 -0.64 6.66 5.75 -1.00 0.66 115.11 127.28 2aqi h GLN 48 Ca 0.22 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 2aqi h GLN 48 Cb 0.24 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 2aqi h GLN 48 CO -0.24 0.29 0.12 -0.09 -2.65 0.00 0.00 178.83 176.26 2aqi h ARG 49 N 0.45 1.03 -0.32 1.69 1.12 -0.52 -0.13 114.38 117.70 2aqi h ARG 49 Ca 0.16 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.76 2aqi h ARG 49 Cb 0.02 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.83 2aqi h ARG 49 CO -0.08 0.93 0.13 0.82 -3.11 0.00 0.00 179.97 178.67 2aqi h ILE 50 N 0.97 1.18 0.00 1.20 1.08 0.01 -3.11 117.51 118.83 2aqi h ILE 50 Ca 0.20 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 2aqi h ILE 50 Cb 0.39 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2aqi h ILE 50 CO 0.01 0.19 0.00 0.71 -0.69 0.00 0.00 178.15 178.37 2aqi h THR 51 N 0.37 0.00 -0.21 -0.27 1.35 0.13 -2.35 112.91 111.93 2aqi h THR 51 Ca 0.11 -0.34 0.06 0.00 -0.55 0.00 0.00 66.41 65.69 2aqi h THR 51 Cb 0.18 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2aqi h THR 51 CO -0.01 0.00 0.21 0.44 -0.25 0.00 0.00 175.52 175.91 2aqi h ASP 52 N 0.00 0.00 1.35 5.36 3.32 -0.98 0.32 116.42 125.78 2aqi h ASP 52 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aqi h ASP 52 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2aqi h ASP 52 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 2aqi n ARG 53 N -3.95 0.23 -1.62 3.56 3.00 -0.89 -4.86 116.66 112.13 2aqi n ARG 53 Ca 0.02 0.22 -0.39 0.00 -0.01 0.00 0.00 57.85 57.69 2aqi n ARG 53 Cb 0.34 -1.78 0.04 0.00 0.00 0.00 0.00 32.46 31.05 2aqi n ARG 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2aqi n LEU 54 N -2.19 3.39 0.24 0.55 4.32 0.11 -4.86 117.00 118.57 2aqi n LEU 54 Ca 0.05 0.89 0.14 0.00 -0.02 0.00 0.00 56.01 57.08 2aqi n LEU 54 Cb 0.40 -1.39 0.59 0.00 -1.62 0.00 0.00 43.42 41.41 2aqi n LEU 54 CO 0.29 -1.66 1.12 -0.65 -1.22 0.00 0.00 177.39 175.27 2aqi h PRO 55 N 0.92 0.00 -3.71 3.23 0.11 -1.88 -3.43 132.00 127.24 2aqi h PRO 55 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2aqi h PRO 55 Cb 1.35 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.32 2aqi h PRO 55 CO 0.53 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.03 2aqi s ALA 56 N -4.20 -0.38 0.37 -0.75 0.00 -1.26 -5.09 121.76 110.45 2aqi s ALA 56 Ca -0.03 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 2aqi s ALA 56 Cb 0.08 0.55 -0.10 0.00 0.00 0.00 0.00 23.12 23.66 2aqi s ALA 56 CO 0.28 -0.55 0.89 0.21 0.00 0.00 0.00 175.76 176.59 2aqi s LYS 57 N -3.85 4.26 -0.09 0.00 2.36 -1.26 -4.98 119.74 116.17 2aqi s LYS 57 Ca 0.05 1.05 -0.06 0.00 -2.55 0.00 0.00 55.97 54.47 2aqi s LYS 57 Cb 0.04 -2.42 0.04 0.00 -1.05 0.00 0.00 37.83 34.44 2aqi s LYS 57 CO -0.11 0.11 0.23 0.00 1.55 0.00 0.00 175.35 177.13 2aqi s ALA 58 N -1.97 -0.52 0.30 3.13 0.00 -1.26 -4.80 121.76 116.64 2aqi s ALA 58 Ca 0.56 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2aqi s ALA 58 Cb -0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 23.12 22.34 2aqi s ALA 58 CO 0.17 -0.17 1.49 -0.35 0.00 0.00 0.00 175.76 176.90 2aqi n PRO 59 N 3.90 2.44 -4.59 0.00 -0.04 -1.25 -4.77 135.00 130.69 2aqi n PRO 59 Ca -0.22 0.87 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 2aqi n PRO 59 Cb 0.54 -2.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.29 2aqi n PRO 59 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2aqi s LEU 60 N -0.62 2.90 0.10 1.53 2.96 -1.26 0.04 118.68 124.33 2aqi s LEU 60 Ca 0.62 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 54.36 2aqi s LEU 60 Cb -0.54 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2aqi s LEU 60 CO 0.53 0.15 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.73 2aqi s LEU 61 N 0.44 2.49 0.04 -0.68 1.43 0.43 -4.96 118.68 117.87 2aqi s LEU 61 Ca -0.07 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 2aqi s LEU 61 Cb -0.15 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2aqi s LEU 61 CO 0.04 0.20 0.75 -0.70 0.23 0.00 0.00 176.35 176.87 2aqi s GLU 62 N -1.93 4.48 -0.25 1.70 2.12 -1.26 -1.72 118.70 121.84 2aqi s GLU 62 Ca 0.15 1.03 -0.02 0.00 0.36 0.00 0.00 54.97 56.49 2aqi s GLU 62 Cb -0.10 -3.36 0.13 0.00 0.26 0.00 0.00 34.13 31.05 2aqi s GLU 62 CO 0.07 0.29 0.32 -1.17 -0.54 0.00 0.00 175.26 174.23 2aqi s LEU 63 N -0.05 -0.42 -0.53 2.70 2.96 0.04 -4.89 118.68 118.50 2aqi s LEU 63 Ca 0.38 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 53.94 2aqi s LEU 63 Cb -0.20 0.78 0.10 0.00 0.50 0.00 0.00 46.19 47.37 2aqi s LEU 63 CO 0.22 -0.33 0.52 -0.62 -1.32 0.00 0.00 176.35 174.82 2aqi s ASP 64 N 2.44 6.18 0.65 3.68 2.15 -1.26 -4.05 116.67 126.47 2aqi s ASP 64 Ca 0.10 -1.53 0.20 0.00 0.43 0.00 0.00 52.55 51.75 2aqi s ASP 64 Cb -0.15 -2.23 1.07 0.00 -0.30 0.00 0.00 42.92 41.32 2aqi s ASP 64 CO -0.20 -0.85 1.60 1.62 -0.17 0.00 0.00 175.17 177.17 2aqi h VAL 65 N 5.86 0.03 -0.00 1.11 3.04 -1.97 1.18 116.25 125.50 2aqi h VAL 65 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2aqi h VAL 65 Cb 1.10 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2aqi h VAL 65 CO 1.00 0.00 -0.31 0.00 -1.01 0.00 0.00 177.57 177.26 2aqi n GLN 66 N -2.86 0.46 -3.19 4.17 6.02 -1.26 -4.78 117.38 115.94 2aqi n GLN 66 Ca 0.01 -0.25 -0.43 0.00 -0.01 0.00 0.00 57.00 56.32 2aqi n GLN 66 Cb 0.66 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.35 2aqi n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2aqi s ASN 67 N -2.71 6.28 0.35 1.08 3.84 0.41 -4.93 114.94 119.26 2aqi s ASN 67 Ca 0.20 -0.40 0.06 0.00 0.21 0.00 0.00 52.86 52.93 2aqi s ASN 67 Cb 0.19 -2.28 0.67 0.00 -0.55 0.00 0.00 41.25 39.27 2aqi s ASN 67 CO 0.58 -0.67 1.90 -0.33 -2.79 0.00 0.00 177.10 175.78 2aqi h GLU 68 N 8.77 0.46 -0.48 0.43 4.39 -1.86 -2.30 114.58 123.98 2aqi h GLU 68 Ca -0.26 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.24 2aqi h GLU 68 Cb 1.10 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2aqi h GLU 68 CO 0.85 0.50 -0.12 1.49 -1.16 0.00 0.00 179.01 180.56 2aqi h GLU 69 N 0.44 0.89 -1.01 2.33 4.22 -1.94 -0.47 114.58 119.04 2aqi h GLU 69 Ca 0.10 -0.32 0.04 0.00 0.08 0.00 0.00 59.36 59.26 2aqi h GLU 69 Cb 0.31 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2aqi h GLU 69 CO 0.01 0.96 0.66 0.45 -2.18 0.00 0.00 179.01 178.91 2aqi h HIS 70 N 0.79 1.24 -0.13 0.92 3.86 -1.73 -0.93 115.15 119.17 2aqi h HIS 70 Ca 0.13 0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.14 2aqi h HIS 70 Cb 0.65 -0.41 0.01 0.00 1.06 0.00 0.00 27.41 28.71 2aqi h HIS 70 CO 0.04 0.71 -0.82 -0.07 0.86 0.00 0.00 177.93 178.65 2aqi h LEU 71 N 1.27 0.94 -1.04 2.43 3.38 -1.31 -1.44 115.31 119.54 2aqi h LEU 71 Ca 0.40 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2aqi h LEU 71 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2aqi h LEU 71 CO -0.13 1.44 0.51 0.00 0.09 0.00 0.00 178.44 180.34 2aqi h ALA 72 N 0.54 1.28 0.00 1.53 0.00 -0.82 -2.68 119.26 119.11 2aqi h ALA 72 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2aqi h ALA 72 Cb 1.45 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2aqi h ALA 72 CO 0.17 0.61 -0.58 -1.13 0.00 0.00 0.00 179.25 178.32 2aqi n SER 73 N -4.36 0.55 -0.01 0.00 3.41 -0.38 -4.56 113.62 108.27 2aqi n SER 73 Ca 0.09 -0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.38 2aqi n SER 73 Cb 0.07 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 2aqi n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2aqi h LEU 74 N 0.00 -0.05 -0.87 1.04 5.85 -0.90 -1.33 115.31 119.06 2aqi h LEU 74 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2aqi h LEU 74 Cb 0.55 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2aqi h LEU 74 CO 0.00 -0.00 0.38 0.00 -0.34 0.00 0.00 178.44 178.48 2aqi h ALA 75 N 1.11 1.11 -0.05 1.25 0.00 -1.76 0.11 119.26 121.03 2aqi h ALA 75 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2aqi h ALA 75 Cb 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2aqi h ALA 75 CO -0.10 0.66 0.03 0.78 0.00 0.00 0.00 179.25 180.62 2aqi h GLY 76 N 1.20 0.07 0.79 0.00 0.00 -1.72 0.12 103.07 103.53 2aqi h GLY 76 Ca 0.28 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.65 2aqi h GLY 76 CO -0.03 0.03 0.62 3.21 0.00 0.00 0.00 176.54 180.37 2aqi h ARG 77 N -0.01 1.08 -0.32 4.80 3.08 -0.88 0.11 114.38 122.25 2aqi h ARG 77 Ca 0.02 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2aqi h ARG 77 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2aqi h ARG 77 CO -0.00 0.72 -0.35 0.28 -1.07 0.00 0.00 179.97 179.55 2aqi h VAL 78 N 1.12 1.28 -0.52 2.04 2.07 -0.69 -1.24 116.25 120.31 2aqi h VAL 78 Ca 0.41 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 2aqi h VAL 78 Cb 0.18 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2aqi h VAL 78 CO -0.16 0.49 -0.12 0.74 0.02 0.00 0.00 177.57 178.54 2aqi h THR 79 N 0.59 1.27 -0.38 2.57 2.02 0.30 0.14 112.91 119.42 2aqi h THR 79 Ca 0.06 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.04 2aqi h THR 79 Cb 0.87 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2aqi h THR 79 CO 0.08 0.45 -0.06 -0.08 0.37 0.00 0.00 175.52 176.28 2aqi h GLU 80 N 0.87 0.04 -0.12 6.66 4.81 -0.72 0.53 114.58 126.66 2aqi h GLU 80 Ca 0.13 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2aqi h GLU 80 Cb 0.69 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2aqi h GLU 80 CO 0.05 0.03 -0.36 0.00 -0.73 0.00 0.00 179.01 177.99 2aqi h ALA 81 N 1.36 1.17 -0.01 2.92 0.00 -0.68 -3.08 119.26 120.95 2aqi h ALA 81 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2aqi h ALA 81 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2aqi h ALA 81 CO -0.36 0.55 -0.56 0.44 0.00 0.00 0.00 179.25 179.33 2aqi n ILE 82 N -4.07 0.00 0.00 0.00 -5.35 -0.01 -4.97 119.36 104.96 2aqi n ILE 82 Ca -0.01 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2aqi n ILE 82 Cb 0.44 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 2aqi n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aqi n GLY 83 N 1.33 -0.97 3.52 3.28 0.00 0.18 -4.68 105.19 107.86 2aqi n GLY 83 Ca 0.06 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2aqi n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqi n ALA 84 N 0.21 -0.91 -0.74 4.61 0.00 -1.22 -1.43 120.51 121.03 2aqi n ALA 84 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2aqi n ALA 84 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2aqi n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqi n GLY 85 N 1.50 0.89 3.89 0.00 0.00 -1.26 -5.00 105.19 105.21 2aqi n GLY 85 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2aqi n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqi s ASN 86 N -2.79 6.31 0.30 1.61 0.01 -0.52 -5.12 114.94 114.75 2aqi s ASN 86 Ca 0.00 0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.56 2aqi s ASN 86 Cb 0.00 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.63 2aqi s ASN 86 CO 0.00 0.27 -0.08 -0.54 -1.51 0.00 0.00 177.10 175.23 2aqi s LYS 87 N -1.91 1.65 0.27 -0.60 1.02 -1.26 -4.87 119.74 114.03 2aqi s LYS 87 Ca 0.27 -1.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.13 2aqi s LYS 87 Cb -0.13 -1.39 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 2aqi s LYS 87 CO 0.18 0.09 0.99 -0.51 -0.92 0.00 0.00 175.35 175.18 2aqi s LEU 88 N -3.50 4.57 0.03 3.17 1.43 -0.03 -4.67 118.68 119.67 2aqi s LEU 88 Ca 0.30 2.02 0.22 0.00 -1.03 0.00 0.00 54.13 55.65 2aqi s LEU 88 Cb 0.03 -3.68 -0.16 0.00 0.03 0.00 0.00 46.19 42.40 2aqi s LEU 88 CO 0.14 0.03 0.78 0.47 0.23 0.00 0.00 176.35 178.00 2aqi n ASP 89 N 1.24 0.44 -3.75 2.29 8.00 0.93 -0.82 116.55 124.88 2aqi n ASP 89 Ca -0.01 -0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 2aqi n ASP 89 Cb 0.47 1.28 -0.10 0.00 -0.02 0.00 0.00 41.12 42.74 2aqi n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2aqi s GLY 90 N -4.06 -0.26 -0.05 0.44 0.00 -0.82 -0.84 107.32 101.73 2aqi s GLY 90 Ca -0.01 0.98 0.01 0.00 0.00 0.00 0.00 44.72 45.70 2aqi s GLY 90 CO 0.85 0.84 -0.04 0.14 0.00 0.00 0.00 173.10 174.89 2aqi s VAL 91 N 0.14 0.56 -0.20 1.40 1.01 0.09 -1.10 120.40 122.29 2aqi s VAL 91 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2aqi s VAL 91 Cb -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2aqi s VAL 91 CO 0.01 0.24 -0.10 -0.69 0.00 0.00 0.00 175.10 174.55 2aqi s VAL 92 N 1.04 2.90 -0.31 2.92 1.01 0.80 -0.12 120.40 128.64 2aqi s VAL 92 Ca -0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 2aqi s VAL 92 Cb -0.14 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2aqi s VAL 92 CO -0.01 0.47 0.32 -2.28 0.00 0.00 0.00 175.10 173.60 2aqi s HIS 93 N 1.38 3.22 -0.35 5.22 2.46 0.14 -1.70 115.29 125.66 2aqi s HIS 93 Ca 0.05 0.12 0.15 0.00 0.47 0.00 0.00 55.06 55.85 2aqi s HIS 93 Cb -0.14 -2.56 0.40 0.00 -0.13 0.00 0.00 32.58 30.15 2aqi s HIS 93 CO -0.06 -0.31 0.84 0.45 -2.47 0.00 0.00 174.74 173.18 2aqi n SER 94 N 5.28 1.15 -4.14 9.88 2.88 -1.26 -1.99 113.62 125.42 2aqi n SER 94 Ca -0.10 -2.88 -0.27 0.00 -1.33 0.00 0.00 58.87 54.29 2aqi n SER 94 Cb 0.50 -0.58 -0.16 0.00 -0.75 0.00 0.00 64.21 63.22 2aqi n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2aqi s ILE 95 N -2.78 1.55 -0.21 2.46 1.01 -1.26 -4.10 121.20 117.87 2aqi s ILE 95 Ca 0.34 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 2aqi s ILE 95 Cb 0.40 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.64 2aqi s ILE 95 CO -0.02 0.44 0.93 -0.83 0.00 0.00 0.00 174.94 175.46 2aqi s GLY 96 N 0.18 -0.30 -0.20 6.18 0.00 -1.26 -4.60 107.32 107.32 2aqi s GLY 96 Ca -0.08 2.19 -0.27 0.00 0.00 0.00 0.00 44.72 46.56 2aqi s GLY 96 CO 0.04 1.43 0.76 -0.12 0.00 0.00 0.00 173.10 175.21 2aqi s PHE 97 N -0.40 -0.69 -0.12 1.90 2.19 -1.26 -4.95 117.98 114.65 2aqi s PHE 97 Ca -0.01 1.52 -0.05 0.00 0.33 0.00 0.00 56.93 58.72 2aqi s PHE 97 Cb -0.03 0.33 0.06 0.00 -1.31 0.00 0.00 43.02 42.07 2aqi s PHE 97 CO -0.00 -0.43 0.26 1.41 1.83 0.00 0.00 175.22 178.29 2aqi s MET 98 N -0.20 0.18 0.64 10.12 1.75 -1.26 -4.23 119.30 126.31 2aqi s MET 98 Ca -0.03 0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 54.91 2aqi s MET 98 Cb -0.03 -0.06 -0.06 0.00 2.84 0.00 0.00 34.83 37.51 2aqi s MET 98 CO 0.03 -0.23 0.56 -2.30 -0.65 0.00 0.00 175.02 172.42 2aqi n PRO 99 N 4.89 0.45 -0.09 4.11 -0.02 -1.26 -4.82 135.00 138.25 2aqi n PRO 99 Ca -0.14 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 2aqi n PRO 99 Cb 0.51 -1.79 0.48 0.00 -0.02 0.00 0.00 33.50 32.68 2aqi n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2aqi h GLN 100 N -0.02 0.44 0.00 -0.52 4.20 -1.97 0.22 115.11 117.46 2aqi h GLN 100 Ca -0.46 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 2aqi h GLN 100 Cb 1.37 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 2aqi h GLN 100 CO 0.45 0.29 -0.02 1.79 -0.67 0.00 0.00 178.83 180.67 2aqi h THR 101 N 0.45 0.51 -0.03 -0.54 1.35 -1.96 -1.21 112.91 111.48 2aqi h THR 101 Ca 0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2aqi h THR 101 Cb 0.51 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2aqi h THR 101 CO -0.08 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 2aqi n GLY 102 N -1.21 -0.47 3.25 5.82 0.00 0.78 -3.98 105.19 109.37 2aqi n GLY 102 Ca -0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2aqi n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aqi s MET 103 N -1.97 1.20 6.96 1.61 1.00 -0.46 -1.38 119.30 126.27 2aqi s MET 103 Ca 0.39 -1.61 0.00 0.00 0.00 0.00 0.00 55.69 54.47 2aqi s MET 103 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 34.83 34.93 2aqi s MET 103 CO 0.31 -0.25 0.00 0.41 0.00 0.00 0.00 175.02 175.50 2aqi n GLY 104 N -0.30 3.13 0.22 -0.03 0.00 0.17 -2.79 105.19 105.60 2aqi n GLY 104 Ca -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.83 2aqi n GLY 104 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aqi h ILE 105 N 0.00 0.64 -2.11 -0.61 1.08 -1.32 -3.40 117.51 111.79 2aqi h ILE 105 Ca 0.00 -1.11 -0.59 0.00 -0.39 0.00 0.00 64.86 62.77 2aqi h ILE 105 Cb 0.00 1.73 0.02 0.00 -3.07 0.00 0.00 36.82 35.49 2aqi h ILE 105 CO 0.00 0.24 1.19 -3.20 -0.69 0.00 0.00 178.15 175.68 2aqi n ASN 106 N -3.48 3.66 -4.61 1.72 2.85 -1.12 -4.84 115.26 109.44 2aqi n ASN 106 Ca -0.00 0.88 -0.47 0.00 -0.11 0.00 0.00 54.58 54.88 2aqi n ASN 106 Cb 0.41 -1.43 -0.03 0.00 1.24 0.00 0.00 39.78 39.96 2aqi n ASN 106 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2aqi n PRO 107 N 7.17 1.51 -0.29 1.20 -0.02 -1.26 -4.66 135.00 138.65 2aqi n PRO 107 Ca 0.23 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 62.34 2aqi n PRO 107 Cb 0.34 -2.10 0.26 0.00 -0.02 0.00 0.00 33.50 31.98 2aqi n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2aqi h PHE 108 N 3.68 0.59 0.00 6.00 3.04 -1.89 0.16 116.94 128.52 2aqi h PHE 108 Ca -0.44 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2aqi h PHE 108 Cb 1.32 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2aqi h PHE 108 CO 0.55 -0.00 0.00 0.74 -2.02 0.00 0.00 178.31 177.58 2aqi h PHE 109 N 0.42 0.00 -0.01 0.41 0.04 -1.95 -3.14 116.94 112.71 2aqi h PHE 109 Ca 0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.27 2aqi h PHE 109 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 2aqi h PHE 109 CO -0.16 0.00 -0.45 -0.25 -0.60 0.00 0.00 178.31 176.85 2aqi n ASP 110 N -2.55 1.17 -4.64 2.17 8.00 0.58 -4.85 116.55 116.42 2aqi n ASP 110 Ca 0.00 -0.94 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 2aqi n ASP 110 Cb 0.18 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2aqi n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aqi s ALA 111 N -2.65 3.41 0.42 2.24 0.00 -1.19 -4.97 121.76 119.01 2aqi s ALA 111 Ca 0.18 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.65 2aqi s ALA 111 Cb 0.18 -3.82 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2aqi s ALA 111 CO 0.61 -1.74 1.25 -2.14 0.00 0.00 0.00 175.76 173.74 2aqi s PRO 112 N 4.49 3.92 0.30 0.00 0.02 -1.26 -4.87 135.00 137.60 2aqi s PRO 112 Ca 0.75 2.01 0.06 0.00 0.02 0.00 0.00 61.00 63.85 2aqi s PRO 112 Cb -0.30 -2.66 0.77 0.00 0.02 0.00 0.00 34.50 32.33 2aqi s PRO 112 CO 0.30 -0.49 1.73 -0.92 -0.33 0.00 0.00 177.00 177.30 2aqi h TYR 113 N 2.52 0.88 -0.98 6.54 3.20 -1.98 -0.58 116.97 126.56 2aqi h TYR 113 Ca -0.49 0.04 0.16 0.00 3.14 0.00 0.00 58.73 61.57 2aqi h TYR 113 Cb 1.25 -0.24 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 2aqi h TYR 113 CO 0.53 0.07 0.61 0.00 -1.64 0.00 0.00 178.16 177.74 2aqi h ALA 114 N 1.69 1.68 -0.05 1.82 0.00 -1.98 0.52 119.26 122.94 2aqi h ALA 114 Ca 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 2aqi h ALA 114 Cb 1.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2aqi h ALA 114 CO -0.46 0.02 -0.05 -0.44 0.00 0.00 0.00 179.25 178.32 2aqi h ASP 115 N 0.82 0.13 -0.09 0.00 3.32 -1.49 -1.35 116.42 117.75 2aqi h ASP 115 Ca 0.52 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2aqi h ASP 115 Cb 0.74 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2aqi h ASP 115 CO -0.30 0.58 0.06 0.58 -1.72 0.00 0.00 179.24 178.44 2aqi h VAL 116 N -0.31 1.05 -0.65 -1.35 2.07 -0.99 -1.44 116.25 114.62 2aqi h VAL 116 Ca 0.01 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2aqi h VAL 116 Cb 0.54 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 2aqi h VAL 116 CO 0.01 0.04 0.27 -1.28 0.02 0.00 0.00 177.57 176.63 2aqi h SER 117 N 0.10 0.29 -0.58 0.57 0.87 -0.00 0.25 113.55 115.04 2aqi h SER 117 Ca 0.03 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2aqi h SER 117 Cb 0.02 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2aqi h SER 117 CO -0.01 0.16 0.36 0.50 -0.53 0.00 0.00 176.83 177.31 2aqi h LYS 118 N 0.46 0.78 -0.65 2.24 3.64 -0.93 0.50 116.57 122.60 2aqi h LYS 118 Ca 0.33 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2aqi h LYS 118 Cb 0.41 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2aqi h LYS 118 CO -0.31 0.55 0.20 0.78 -2.27 0.00 0.00 179.45 178.40 2aqi h GLY 119 N 0.78 1.09 1.43 5.01 0.00 -0.12 -2.17 103.07 109.09 2aqi h GLY 119 Ca 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2aqi h GLY 119 CO -0.04 0.60 -0.48 -2.22 0.00 0.00 0.00 176.54 174.40 2aqi h ILE 120 N 0.94 1.31 -0.03 2.60 2.04 -0.39 0.11 117.51 124.08 2aqi h ILE 120 Ca 0.21 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.41 2aqi h ILE 120 Cb 0.29 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 2aqi h ILE 120 CO -0.01 0.53 -0.44 -0.74 0.00 0.00 0.00 178.15 177.50 2aqi h HIS 121 N 0.48 -1.26 -0.07 1.37 2.76 -0.77 1.00 115.15 118.66 2aqi h HIS 121 Ca 0.02 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.06 2aqi h HIS 121 Cb 1.02 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 30.53 2aqi h HIS 121 CO 0.05 -0.51 -0.70 0.82 -1.30 0.00 0.00 177.93 176.28 2aqi h ILE 122 N -0.58 1.40 0.00 6.26 2.04 -1.32 0.89 117.51 126.21 2aqi h ILE 122 Ca 0.05 -2.14 -0.18 0.00 1.00 0.00 0.00 64.86 63.58 2aqi h ILE 122 Cb 0.66 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 2aqi h ILE 122 CO -0.34 0.64 -1.60 -1.20 0.00 0.00 0.00 178.15 175.64 2aqi n SER 123 N -3.83 0.67 0.07 1.72 7.64 0.02 -4.44 113.62 115.46 2aqi n SER 123 Ca -0.03 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2aqi n SER 123 Cb 0.69 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 2aqi n SER 123 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aqi n ALA 124 N -2.43 3.00 -0.32 -0.43 0.00 0.18 -4.76 120.51 115.74 2aqi n ALA 124 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 2aqi n ALA 124 Cb 0.86 0.12 0.16 0.00 0.00 0.00 0.00 19.45 20.58 2aqi n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2aqi h TYR 125 N 0.00 1.03 -0.10 0.00 5.03 -1.05 -1.92 116.97 119.96 2aqi h TYR 125 Ca 0.00 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.37 2aqi h TYR 125 Cb 0.00 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 37.95 2aqi h TYR 125 CO 0.00 0.51 0.12 0.66 -1.32 0.00 0.00 178.16 178.13 2aqi h SER 126 N 1.00 0.00 -0.71 -2.11 4.64 -1.03 0.89 113.55 116.23 2aqi h SER 126 Ca 0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 2aqi h SER 126 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2aqi h SER 126 CO -0.19 0.00 0.37 0.22 -0.87 0.00 0.00 176.83 176.37 2aqi h TYR 127 N 0.00 0.99 -0.22 4.77 3.20 -1.63 0.22 116.97 124.31 2aqi h TYR 127 Ca 0.05 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2aqi h TYR 127 Cb 0.29 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2aqi h TYR 127 CO 0.00 0.71 -0.12 0.00 -1.64 0.00 0.00 178.16 177.11 2aqi h ALA 128 N 1.19 0.31 0.00 1.82 0.00 -0.96 -2.39 119.26 119.22 2aqi h ALA 128 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2aqi h ALA 128 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2aqi h ALA 128 CO -0.04 0.17 -0.06 0.66 0.00 0.00 0.00 179.25 179.97 2aqi h SER 129 N 0.17 0.00 -0.17 0.00 4.64 -1.18 0.24 113.55 117.25 2aqi h SER 129 Ca 0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 2aqi h SER 129 Cb 0.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2aqi h SER 129 CO 0.03 0.06 -0.57 0.24 -0.87 0.00 0.00 176.83 175.73 2aqi h MET 130 N 0.00 0.69 -0.39 4.77 2.07 -0.55 -2.62 114.93 118.90 2aqi h MET 130 Ca -0.00 -0.51 -0.06 0.00 -2.07 0.00 0.00 59.70 57.06 2aqi h MET 130 Cb 0.71 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.51 2aqi h MET 130 CO 0.01 1.13 -0.00 0.00 1.07 0.00 0.00 176.91 179.11 2aqi h ALA 131 N 0.56 1.27 -0.14 6.32 0.00 -0.82 -1.72 119.26 124.72 2aqi h ALA 131 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2aqi h ALA 131 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2aqi h ALA 131 CO 0.12 0.49 0.07 -0.22 0.00 0.00 0.00 179.25 179.72 2aqi h LYS 132 N 0.59 0.20 -0.67 0.00 3.64 -0.53 -1.28 116.57 118.52 2aqi h LYS 132 Ca 0.12 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2aqi h LYS 132 Cb 0.38 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2aqi h LYS 132 CO 0.01 0.23 0.30 0.00 -2.27 0.00 0.00 179.45 177.73 2aqi h ALA 133 N 0.96 1.28 0.00 5.00 0.00 -1.33 -3.36 119.26 121.81 2aqi h ALA 133 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2aqi h ALA 133 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2aqi h ALA 133 CO -0.01 0.55 -1.83 1.28 0.00 0.00 0.00 179.25 179.24 2aqi n LEU 134 N -4.33 0.00 -0.33 0.00 4.77 -0.66 -4.34 117.00 112.11 2aqi n LEU 134 Ca 0.06 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 2aqi n LEU 134 Cb 0.14 0.09 0.18 0.00 -2.33 0.00 0.00 43.42 41.51 2aqi n LEU 134 CO 0.39 0.09 1.20 -0.07 -1.33 0.00 0.00 177.39 177.67 2aqi h LEU 135 N 0.00 0.85 -2.14 2.23 3.38 -1.37 -1.30 115.31 116.96 2aqi h LEU 135 Ca -0.10 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2aqi h LEU 135 Cb 1.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2aqi h LEU 135 CO 0.01 0.50 0.29 -0.65 0.09 0.00 0.00 178.44 178.67 2aqi h PRO 136 N 0.96 0.00 -0.53 1.13 0.11 -1.78 -1.29 132.00 130.60 2aqi h PRO 136 Ca 0.43 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.20 2aqi h PRO 136 Cb 0.32 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.22 2aqi h PRO 136 CO -0.22 0.00 -0.14 0.44 -0.21 0.00 0.00 178.00 177.87 2aqi n ILE 137 N -3.75 2.70 -5.09 4.15 -5.35 -0.51 -4.98 119.36 106.53 2aqi n ILE 137 Ca 0.03 -3.16 -0.31 0.00 -0.27 0.00 0.00 62.75 59.04 2aqi n ILE 137 Cb 0.42 -0.63 -0.15 0.00 -1.74 0.00 0.00 39.64 37.54 2aqi n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2aqi s MET 138 N -3.42 2.21 0.47 6.28 -1.94 -0.49 -0.85 119.30 121.56 2aqi s MET 138 Ca 0.49 -0.87 -0.22 0.00 -1.71 0.00 0.00 55.69 53.38 2aqi s MET 138 Cb 0.42 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 35.03 2aqi s MET 138 CO 0.00 0.58 1.11 -0.80 -0.01 0.00 0.00 175.02 175.90 2aqi s ASN 139 N -0.77 6.20 0.53 3.03 0.01 0.00 -4.92 114.94 119.02 2aqi s ASN 139 Ca 0.11 2.14 -0.20 0.00 -0.71 0.00 0.00 52.86 54.20 2aqi s ASN 139 Cb -0.10 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 2aqi s ASN 139 CO 0.00 -0.89 0.81 -2.65 -1.51 0.00 0.00 177.10 172.86 2aqi n PRO 140 N -0.72 0.87 -0.85 -0.60 -0.02 -1.24 -1.26 135.00 131.18 2aqi n PRO 140 Ca 0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2aqi n PRO 140 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2aqi n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aqi n GLY 141 N 1.45 1.21 3.55 -1.23 0.00 0.22 -4.97 105.19 105.42 2aqi n GLY 141 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2aqi n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqi s GLY 142 N -2.00 1.56 -0.21 -0.02 0.00 -0.39 -4.85 107.32 101.41 2aqi s GLY 142 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 2aqi s GLY 142 CO 0.00 -0.04 0.47 -0.45 0.00 0.00 0.00 173.10 173.08 2aqi s SER 143 N -3.82 -0.50 -0.14 1.64 0.15 -0.02 -1.35 113.70 109.67 2aqi s SER 143 Ca 0.71 1.10 -0.04 0.00 0.70 0.00 0.00 55.95 58.42 2aqi s SER 143 Cb -0.10 1.37 -0.03 0.00 -1.71 0.00 0.00 66.02 65.55 2aqi s SER 143 CO 0.56 -0.22 -0.01 -0.63 1.20 0.00 0.00 173.24 174.14 2aqi s ILE 144 N 2.32 4.18 -0.07 6.45 1.01 0.63 -0.73 121.20 134.99 2aqi s ILE 144 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2aqi s ILE 144 Cb -0.11 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2aqi s ILE 144 CO -0.14 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.52 2aqi s VAL 145 N -0.01 1.04 0.32 2.92 1.01 0.83 -1.25 120.40 125.25 2aqi s VAL 145 Ca 0.02 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.71 2aqi s VAL 145 Cb -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 2aqi s VAL 145 CO 0.02 0.34 -0.03 -0.83 0.00 0.00 0.00 175.10 174.60 2aqi s GLY 146 N 0.90 1.97 -0.18 4.51 0.00 -0.41 0.27 107.32 114.38 2aqi s GLY 146 Ca -0.10 -1.90 -0.09 0.00 0.00 0.00 0.00 44.72 42.63 2aqi s GLY 146 CO 0.01 -1.89 0.12 1.06 0.00 0.00 0.00 173.10 172.40 2aqi s MET 147 N -3.67 4.00 0.16 2.90 -1.94 -0.84 -0.54 119.30 119.37 2aqi s MET 147 Ca 0.33 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 54.17 2aqi s MET 147 Cb -0.02 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 2aqi s MET 147 CO 0.19 0.39 -0.18 0.34 -0.01 0.00 0.00 175.02 175.75 2aqi s ASP 148 N 0.09 2.61 -0.15 3.03 2.15 0.16 -4.90 116.67 119.66 2aqi s ASP 148 Ca 0.09 -0.85 -0.01 0.00 0.43 0.00 0.00 52.55 52.21 2aqi s ASP 148 Cb -0.11 -0.15 0.04 0.00 -0.30 0.00 0.00 42.92 42.40 2aqi s ASP 148 CO -0.01 -0.04 -0.04 0.12 -0.17 0.00 0.00 175.17 175.04 2aqi s PHE 149 N -2.02 1.46 -0.50 -5.34 5.36 -1.26 -1.74 117.98 113.93 2aqi s PHE 149 Ca 0.15 -0.90 -0.40 0.00 -0.96 0.00 0.00 56.93 54.82 2aqi s PHE 149 Cb -0.06 -1.20 -0.17 0.00 -0.34 0.00 0.00 43.02 41.25 2aqi s PHE 149 CO 0.06 -0.57 2.22 -3.47 -1.46 0.00 0.00 175.22 172.00 2aqi n ASP 150 N 4.94 1.16 -1.62 6.13 2.03 -1.26 -4.84 116.55 123.09 2aqi n ASP 150 Ca -0.11 0.52 -0.03 0.00 0.52 0.00 0.00 54.79 55.70 2aqi n ASP 150 Cb 0.48 -1.03 0.28 0.00 -0.72 0.00 0.00 41.12 40.13 2aqi n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2aqi n PRO 151 N 7.84 3.22 0.25 -0.67 -0.04 -1.26 -4.63 135.00 139.72 2aqi n PRO 151 Ca 0.51 -3.05 0.08 0.00 -0.04 0.00 0.00 63.50 61.00 2aqi n PRO 151 Cb 0.06 -2.07 0.61 0.00 -0.04 0.00 0.00 33.50 32.06 2aqi n PRO 151 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2aqi h SER 152 N 2.18 0.00 -4.43 3.54 0.02 -1.94 -3.42 113.55 109.50 2aqi h SER 152 Ca 0.21 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.77 2aqi h SER 152 Cb 2.04 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 64.35 2aqi h SER 152 CO 0.58 0.10 -0.77 -0.13 -1.14 0.00 0.00 176.83 175.46 2aqi s ARG 153 N -4.75 0.77 0.70 3.45 0.52 -1.26 -5.14 118.95 113.24 2aqi s ARG 153 Ca -0.04 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2aqi s ARG 153 Cb 0.16 -0.73 0.01 0.00 0.52 0.00 0.00 34.95 34.92 2aqi s ARG 153 CO 0.66 0.17 1.07 0.00 0.02 0.00 0.00 175.30 177.22 2aqi s ALA 154 N -1.03 2.58 0.08 2.13 0.00 -1.26 -5.06 121.76 119.20 2aqi s ALA 154 Ca -0.02 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 2aqi s ALA 154 Cb -0.08 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.85 2aqi s ALA 154 CO 0.01 -1.31 0.36 0.00 0.00 0.00 0.00 175.76 174.83 2aqi s MET 155 N -4.87 0.95 0.61 0.00 0.23 -1.26 -5.15 119.30 109.82 2aqi s MET 155 Ca 0.60 -0.60 -0.19 0.00 -1.03 0.00 0.00 55.69 54.47 2aqi s MET 155 Cb -0.15 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 2aqi s MET 155 CO 0.53 -0.34 1.23 -1.25 -2.03 0.00 0.00 175.02 173.15 2aqi s PRO 156 N -3.19 2.87 0.00 3.16 0.04 -1.26 -4.05 135.00 132.56 2aqi s PRO 156 Ca -0.01 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2aqi s PRO 156 Cb 0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2aqi s PRO 156 CO -0.08 -1.30 0.00 0.00 0.04 0.00 0.00 177.00 175.66 2aqi n ALA 157 N -1.68 0.00 0.22 8.56 0.00 -1.26 -4.55 120.51 121.80 2aqi n ALA 157 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2aqi n ALA 157 Cb 0.49 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.28 2aqi n ALA 157 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2aqi h TYR 158 N 0.00 0.00 0.00 0.00 -1.99 -1.90 0.49 116.97 113.57 2aqi h TYR 158 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2aqi h TYR 158 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2aqi h TYR 158 CO 0.00 0.16 0.00 0.09 -0.00 0.00 0.00 178.16 178.41 2aqi n ASN 159 N -3.20 0.00 0.24 3.88 3.02 -1.26 -0.36 115.26 117.58 2aqi n ASN 159 Ca 0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.70 2aqi n ASN 159 Cb 0.49 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 40.06 2aqi n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2aqi h TRP 160 N 0.00 0.00 -0.66 3.10 4.06 -1.53 -2.48 115.95 118.43 2aqi h TRP 160 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2aqi h TRP 160 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2aqi h TRP 160 CO 0.00 0.09 0.35 1.98 -3.56 0.00 0.00 178.44 177.29 2aqi h MET 161 N 0.00 0.93 -0.62 0.49 4.05 -0.85 0.11 114.93 119.04 2aqi h MET 161 Ca -0.00 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2aqi h MET 161 Cb 0.81 -0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.36 2aqi h MET 161 CO 0.01 0.71 0.28 1.15 0.23 0.00 0.00 176.91 179.29 2aqi h THR 162 N 0.90 0.85 -0.39 -0.77 2.02 -1.18 0.62 112.91 114.96 2aqi h THR 162 Ca 0.23 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.27 2aqi h THR 162 Cb 0.06 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 2aqi h THR 162 CO -0.03 0.09 0.19 0.58 0.37 0.00 0.00 175.52 176.72 2aqi h VAL 163 N 0.51 0.97 -0.98 3.16 2.07 -1.33 -0.18 116.25 120.46 2aqi h VAL 163 Ca 0.30 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.83 2aqi h VAL 163 Cb 0.31 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 2aqi h VAL 163 CO -0.25 0.07 0.60 0.00 0.02 0.00 0.00 177.57 178.01 2aqi h ALA 164 N 1.21 1.52 -0.22 1.67 0.00 -0.35 -0.64 119.26 122.45 2aqi h ALA 164 Ca 0.17 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 2aqi h ALA 164 Cb 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2aqi h ALA 164 CO -0.12 0.11 -0.67 0.87 0.00 0.00 0.00 179.25 179.44 2aqi h LYS 165 N 0.88 0.84 -0.92 0.00 1.79 -0.18 -0.98 116.57 118.00 2aqi h LYS 165 Ca 0.51 -0.61 0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2aqi h LYS 165 Cb 0.62 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 2aqi h LYS 165 CO -0.31 1.23 0.56 0.77 -1.08 0.00 0.00 179.45 180.62 2aqi h SER 166 N 0.61 0.82 -0.19 0.86 0.02 -0.60 -0.39 113.55 114.68 2aqi h SER 166 Ca -0.02 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2aqi h SER 166 Cb 1.29 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2aqi h SER 166 CO 0.14 0.46 -0.26 0.00 -1.14 0.00 0.00 176.83 176.03 2aqi h ALA 167 N 1.49 0.93 -0.33 3.77 0.00 -0.77 -2.81 119.26 121.54 2aqi h ALA 167 Ca 0.45 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2aqi h ALA 167 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2aqi h ALA 167 CO -0.25 0.61 0.09 1.25 0.00 0.00 0.00 179.25 180.96 2aqi h LEU 168 N 0.57 0.49 -1.00 0.00 6.46 -0.41 0.17 115.31 121.59 2aqi h LEU 168 Ca 0.08 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2aqi h LEU 168 Cb 0.75 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 2aqi h LEU 168 CO 0.06 0.58 0.65 -0.33 -0.62 0.00 0.00 178.44 178.78 2aqi h GLU 169 N 0.38 1.25 -0.15 1.25 5.08 -1.02 0.12 114.58 121.48 2aqi h GLU 169 Ca 0.11 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2aqi h GLU 169 Cb 0.27 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2aqi h GLU 169 CO -0.00 0.82 -0.39 1.03 -1.00 0.00 0.00 179.01 179.47 2aqi h SER 170 N 1.28 0.61 -0.75 1.42 0.87 -1.16 -2.79 113.55 113.03 2aqi h SER 170 Ca 0.39 -0.58 0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2aqi h SER 170 Cb -0.04 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 61.67 2aqi h SER 170 CO -0.11 1.08 0.37 0.58 -0.53 0.00 0.00 176.83 178.21 2aqi h VAL 171 N 0.17 0.81 -1.00 2.23 2.07 -0.30 -2.12 116.25 118.11 2aqi h VAL 171 Ca -0.01 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2aqi h VAL 171 Cb 1.00 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 2aqi h VAL 171 CO 0.08 0.11 0.65 -1.13 0.02 0.00 0.00 177.57 177.31 2aqi h ASN 172 N 0.60 1.07 -0.08 0.57 -1.24 -0.54 0.25 115.58 116.21 2aqi h ASN 172 Ca 0.38 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.33 2aqi h ASN 172 Cb 0.44 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2aqi h ASN 172 CO -0.30 0.72 -0.08 0.03 -1.29 0.00 0.00 177.43 176.51 2aqi h ARG 173 N 1.23 0.37 0.12 6.67 3.08 -1.13 -0.83 114.38 123.89 2aqi h ARG 173 Ca 0.41 -0.08 -0.27 0.00 0.07 0.00 0.00 59.98 60.10 2aqi h ARG 173 Cb 0.06 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.08 2aqi h ARG 173 CO -0.14 0.46 -1.14 0.74 -1.07 0.00 0.00 179.97 178.83 2aqi h PHE 174 N 0.35 0.91 -0.77 3.04 -1.00 -1.07 -3.14 116.94 115.27 2aqi h PHE 174 Ca 0.07 -0.58 0.05 0.00 2.81 0.00 0.00 57.97 60.32 2aqi h PHE 174 Cb 0.37 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.81 2aqi h PHE 174 CO 0.01 1.43 0.47 0.28 -1.61 0.00 0.00 178.31 178.89 2aqi h VAL 175 N 0.14 1.05 -0.89 -0.55 2.07 -0.40 -0.37 116.25 117.30 2aqi h VAL 175 Ca -0.18 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.19 2aqi h VAL 175 Cb 1.83 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 2aqi h VAL 175 CO 0.22 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.55 2aqi h ALA 176 N 1.35 1.88 -0.32 1.67 0.00 -1.19 0.71 119.26 123.36 2aqi h ALA 176 Ca 0.33 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2aqi h ALA 176 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2aqi h ALA 176 CO -0.15 -0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.05 2aqi h ARG 177 N 0.65 0.52 -0.15 0.00 3.08 -1.03 -1.46 114.38 116.00 2aqi h ARG 177 Ca 0.46 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 2aqi h ARG 177 Cb 0.79 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2aqi h ARG 177 CO -0.21 0.58 -0.21 0.93 -1.07 0.00 0.00 179.97 180.00 2aqi h GLU 178 N 0.36 0.41 -0.84 0.04 4.39 -0.65 -3.24 114.58 115.05 2aqi h GLU 178 Ca 0.10 -0.24 0.05 0.00 0.34 0.00 0.00 59.36 59.62 2aqi h GLU 178 Cb 0.30 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2aqi h GLU 178 CO 0.00 0.82 0.55 0.00 -1.16 0.00 0.00 179.01 179.22 2aqi h ALA 179 N 0.59 1.55 -0.57 3.43 0.00 0.42 -2.82 119.26 121.86 2aqi h ALA 179 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2aqi h ALA 179 Cb 0.77 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2aqi h ALA 179 CO 0.05 0.34 0.38 0.78 0.00 0.00 0.00 179.25 180.80 2aqi h GLY 180 N 0.97 0.55 1.19 0.00 0.00 -1.09 0.20 103.07 104.89 2aqi h GLY 180 Ca 0.35 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.63 2aqi h GLY 180 CO -0.12 0.11 0.29 0.50 0.00 0.00 0.00 176.54 177.32 2aqi h LYS 181 N 0.40 0.00 -0.33 4.80 1.57 -1.61 -1.23 116.57 120.17 2aqi h LYS 181 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2aqi h LYS 181 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2aqi h LYS 181 CO -0.07 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.47 2aqi n TYR 182 N -4.35 0.43 -1.26 -1.35 4.02 0.58 -4.90 117.16 110.32 2aqi n TYR 182 Ca 0.07 -0.21 -0.09 0.00 -0.01 0.00 0.00 57.90 57.65 2aqi n TYR 182 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 2aqi n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aqi n GLY 183 N 1.34 1.07 3.73 2.72 0.00 -0.46 -3.72 105.19 109.85 2aqi n GLY 183 Ca 0.18 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2aqi n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqi s VAL 184 N -2.28 4.96 0.25 1.61 1.01 -0.37 -0.61 120.40 124.98 2aqi s VAL 184 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2aqi s VAL 184 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 2aqi s VAL 184 CO 0.00 0.54 0.59 -0.13 0.00 0.00 0.00 175.10 176.10 2aqi s ARG 185 N -0.30 3.84 -0.06 2.72 0.52 -0.45 -2.80 118.95 122.41 2aqi s ARG 185 Ca 0.09 0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.67 2aqi s ARG 185 Cb -0.12 -2.60 0.02 0.00 0.52 0.00 0.00 34.95 32.77 2aqi s ARG 185 CO 0.01 0.27 -0.08 0.45 0.02 0.00 0.00 175.30 175.97 2aqi s SER 186 N -2.38 1.42 0.11 0.23 0.15 -1.26 -0.27 113.70 111.70 2aqi s SER 186 Ca 0.49 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 2aqi s SER 186 Cb -0.11 -0.65 0.04 0.00 -1.71 0.00 0.00 66.02 63.59 2aqi s SER 186 CO 0.21 -0.02 0.41 0.20 1.20 0.00 0.00 173.24 175.24 2aqi s ASN 187 N 0.84 -0.25 0.02 5.45 -0.87 -0.38 0.11 114.94 119.86 2aqi s ASN 187 Ca -0.12 -0.27 0.05 0.00 -1.57 0.00 0.00 52.86 50.96 2aqi s ASN 187 Cb -0.15 0.47 -0.03 0.00 -0.02 0.00 0.00 41.25 41.52 2aqi s ASN 187 CO 0.01 -0.83 -0.13 -0.76 -2.57 0.00 0.00 177.10 172.83 2aqi s LEU 188 N -2.70 2.86 -0.29 0.60 1.02 0.11 -1.29 118.68 119.00 2aqi s LEU 188 Ca 0.02 -0.30 -0.10 0.00 0.02 0.00 0.00 54.13 53.77 2aqi s LEU 188 Cb 0.01 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 2aqi s LEU 188 CO -0.11 0.27 0.16 -0.69 0.02 0.00 0.00 176.35 176.00 2aqi s VAL 189 N -0.95 4.88 -0.58 -1.59 1.01 0.30 -0.45 120.40 123.02 2aqi s VAL 189 Ca 0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2aqi s VAL 189 Cb -0.11 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.95 2aqi s VAL 189 CO 0.06 0.19 0.87 0.00 0.00 0.00 0.00 175.10 176.22 2aqi s ALA 190 N 1.68 3.21 0.37 5.51 0.00 0.12 0.39 121.76 133.04 2aqi s ALA 190 Ca 0.06 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 2aqi s ALA 190 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2aqi s ALA 190 CO 0.08 -2.45 0.68 0.00 0.00 0.00 0.00 175.76 174.07 2aqi s ALA 191 N 3.63 3.49 1.07 0.00 0.00 -0.71 -0.14 121.76 129.09 2aqi s ALA 191 Ca 0.23 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2aqi s ALA 191 Cb -0.16 -2.49 0.22 0.00 0.00 0.00 0.00 23.12 20.69 2aqi s ALA 191 CO 0.13 0.01 1.10 0.20 0.00 0.00 0.00 175.76 177.21 2aqi s GLY 192 N -3.42 1.57 0.20 0.00 0.00 -0.52 -4.60 107.32 100.55 2aqi s GLY 192 Ca 0.47 -0.56 -0.32 0.00 0.00 0.00 0.00 44.72 44.31 2aqi s GLY 192 CO 0.34 0.15 1.68 -4.14 0.00 0.00 0.00 173.10 171.12 2aqi s PRO 193 N -5.10 4.14 -0.09 2.90 0.02 -1.26 -4.99 135.00 130.63 2aqi s PRO 193 Ca 0.67 2.55 0.04 0.00 0.02 0.00 0.00 61.00 64.29 2aqi s PRO 193 Cb -0.16 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 2aqi s PRO 193 CO 0.57 -0.71 -0.23 0.42 -0.33 0.00 0.00 177.00 176.73 2aqi s ILE 194 N 1.08 2.23 -1.07 2.83 -1.09 -1.26 -4.24 121.20 119.69 2aqi s ILE 194 Ca 0.73 -0.98 -0.22 0.00 -2.23 0.00 0.00 60.65 57.95 2aqi s ILE 194 Cb -0.48 -1.85 -0.10 0.00 -1.58 0.00 0.00 42.46 38.45 2aqi s ILE 194 CO 0.33 0.56 1.92 0.54 -1.23 0.00 0.00 174.94 177.06 2aqi n ARG 195 N 3.26 1.74 -2.28 2.79 5.12 0.12 -4.70 116.66 122.70 2aqi n ARG 195 Ca -0.18 -2.34 -0.28 0.00 -1.93 0.00 0.00 57.85 53.12 2aqi n ARG 195 Cb 0.53 -3.43 0.02 0.00 -1.16 0.00 0.00 32.46 28.42 2aqi n ARG 195 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2aqi s THR 196 N 8.30 4.02 0.18 0.55 -1.32 -1.26 -4.76 115.64 121.35 2aqi s THR 196 Ca 0.63 0.25 -0.20 0.00 -1.21 0.00 0.00 61.69 61.16 2aqi s THR 196 Cb 0.05 -3.60 0.11 0.00 -1.51 0.00 0.00 72.50 67.56 2aqi s THR 196 CO 0.12 -0.67 1.61 0.25 -2.21 0.00 0.00 174.62 173.73 2aqi h LEU 197 N -0.20 -0.88 -0.69 9.08 5.85 -1.91 0.11 115.31 126.67 2aqi h LEU 197 Ca -0.45 0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2aqi h LEU 197 Cb 1.24 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 42.65 2aqi h LEU 197 CO 0.62 -0.27 0.34 0.00 -0.34 0.00 0.00 178.44 178.79 2aqi h ALA 198 N 1.07 0.95 -0.50 1.25 0.00 -1.96 0.36 119.26 120.43 2aqi h ALA 198 Ca 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2aqi h ALA 198 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2aqi h ALA 198 CO -0.56 -0.05 0.12 0.52 0.00 0.00 0.00 179.25 179.28 2aqi h MET 199 N 0.59 0.81 -0.30 0.00 2.86 -1.62 0.81 114.93 118.08 2aqi h MET 199 Ca 0.34 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2aqi h MET 199 Cb 0.34 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2aqi h MET 199 CO -0.26 0.78 0.17 0.77 1.06 0.00 0.00 176.91 179.42 2aqi h SER 200 N 0.69 0.27 -1.00 1.22 0.02 -0.36 -0.89 113.55 113.51 2aqi h SER 200 Ca 0.16 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2aqi h SER 200 Cb 0.33 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.75 2aqi h SER 200 CO 0.00 0.20 0.64 0.00 -1.14 0.00 0.00 176.83 176.53 2aqi h ALA 201 N 1.14 1.45 -0.20 3.77 0.00 -0.61 0.09 119.26 124.89 2aqi h ALA 201 Ca 0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2aqi h ALA 201 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2aqi h ALA 201 CO -0.06 0.38 -0.59 0.97 0.00 0.00 0.00 179.25 179.95 2aqi h ILE 202 N 1.12 1.31 -0.77 0.00 -0.00 -0.49 -0.19 117.51 118.49 2aqi h ILE 202 Ca 0.44 -1.83 -0.00 0.00 -0.00 0.00 0.00 64.86 63.47 2aqi h ILE 202 Cb 0.25 1.79 -0.04 0.00 -0.00 0.00 0.00 36.82 38.82 2aqi h ILE 202 CO -0.19 0.58 0.47 0.58 -0.00 0.00 0.00 178.15 179.58 2aqi h VAL 203 N 0.49 1.21 0.00 2.19 2.07 -0.70 -0.33 116.25 121.18 2aqi h VAL 203 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2aqi h VAL 203 Cb 1.16 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2aqi h VAL 203 CO 0.12 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.54 2aqi n GLY 204 N -1.31 -0.88 0.00 2.17 0.00 -0.02 -4.59 105.19 100.55 2aqi n GLY 204 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2aqi n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqi n GLY 205 N 0.58 1.10 0.26 -0.02 0.00 -0.13 -4.98 105.19 101.99 2aqi n GLY 205 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2aqi n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqi h ALA 206 N 0.00 1.51 -0.53 4.61 0.00 -1.18 -0.16 119.26 123.51 2aqi h ALA 206 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2aqi h ALA 206 Cb 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 2aqi h ALA 206 CO 0.00 0.12 0.13 1.28 0.00 0.00 0.00 179.25 180.78 2aqi n LEU 207 N -3.94 5.03 0.00 0.00 4.77 -1.26 -5.01 117.00 116.58 2aqi n LEU 207 Ca -0.02 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 2aqi n LEU 207 Cb 0.19 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2aqi n LEU 207 CO 0.31 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2aqi n GLY 208 N -0.56 2.63 0.22 -0.72 0.00 -0.07 -0.85 105.19 105.84 2aqi n GLY 208 Ca 0.35 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 2aqi n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aqi h GLU 209 N 0.00 0.74 -0.28 1.61 4.57 -1.94 -2.09 114.58 117.19 2aqi h GLU 209 Ca 0.00 -0.46 -0.17 0.00 -1.18 0.00 0.00 59.36 57.55 2aqi h GLU 209 Cb 0.00 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2aqi h GLU 209 CO 0.00 1.08 -0.51 1.49 -1.18 0.00 0.00 179.01 179.89 2aqi h GLU 210 N 0.48 0.79 -0.58 1.92 4.57 -1.95 0.14 114.58 119.94 2aqi h GLU 210 Ca 0.02 -0.48 0.07 0.00 -1.18 0.00 0.00 59.36 57.78 2aqi h GLU 210 Cb 1.04 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 2aqi h GLU 210 CO 0.10 1.11 0.27 0.00 -1.18 0.00 0.00 179.01 179.31 2aqi h ALA 211 N 0.80 0.76 -0.52 2.92 0.00 -1.81 0.30 119.26 121.70 2aqi h ALA 211 Ca 0.02 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2aqi h ALA 211 Cb 1.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2aqi h ALA 211 CO 0.11 -0.10 -0.09 0.78 0.00 0.00 0.00 179.25 179.96 2aqi h GLY 212 N 0.51 1.05 1.29 0.00 0.00 -0.74 -0.76 103.07 104.42 2aqi h GLY 212 Ca 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 2aqi h GLY 212 CO -0.22 0.77 0.09 0.00 0.00 0.00 0.00 176.54 177.19 2aqi h ALA 213 N 0.92 1.12 -0.49 3.60 0.00 -0.31 -0.97 119.26 123.13 2aqi h ALA 213 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2aqi h ALA 213 Cb 0.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2aqi h ALA 213 CO 0.04 0.58 -0.14 1.96 0.00 0.00 0.00 179.25 181.69 2aqi h GLN 214 N 0.84 0.96 -0.03 0.00 4.20 -0.55 -1.09 115.11 119.44 2aqi h GLN 214 Ca 0.17 -0.38 -0.21 0.00 0.06 0.00 0.00 58.65 58.29 2aqi h GLN 214 Cb 0.37 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2aqi h GLN 214 CO 0.01 1.05 -0.87 0.82 -0.67 0.00 0.00 178.83 179.16 2aqi h ILE 215 N 0.81 1.40 -0.63 2.54 1.08 -0.98 0.24 117.51 121.97 2aqi h ILE 215 Ca 0.12 -2.36 -0.02 0.00 -0.39 0.00 0.00 64.86 62.21 2aqi h ILE 215 Cb 0.71 2.32 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2aqi h ILE 215 CO 0.05 0.71 0.33 -0.61 -0.69 0.00 0.00 178.15 177.94 2aqi h GLN 216 N 0.24 0.89 -0.54 2.37 4.15 -1.12 -0.43 115.11 120.67 2aqi h GLN 216 Ca -0.06 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 2aqi h GLN 216 Cb 1.49 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 2aqi h GLN 216 CO 0.15 0.68 0.18 -0.07 -1.93 0.00 0.00 178.83 177.85 2aqi h LEU 217 N 0.86 0.78 -0.37 -2.39 3.38 -0.66 -1.33 115.31 115.57 2aqi h LEU 217 Ca 0.22 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2aqi h LEU 217 Cb 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2aqi h LEU 217 CO -0.03 0.77 -0.17 0.25 0.09 0.00 0.00 178.44 179.34 2aqi h LEU 218 N 0.74 -0.57 -0.34 1.67 7.12 -0.35 0.61 115.31 124.19 2aqi h LEU 218 Ca 0.18 0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.33 2aqi h LEU 218 Cb 0.26 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 2aqi h LEU 218 CO -0.01 -0.20 0.22 -0.33 -0.13 0.00 0.00 178.44 177.99 2aqi h GLU 219 N -0.10 0.46 -0.55 1.25 5.08 -0.90 -0.11 114.58 119.70 2aqi h GLU 219 Ca 0.18 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2aqi h GLU 219 Cb 0.38 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2aqi h GLU 219 CO -0.44 0.31 0.22 0.93 -1.00 0.00 0.00 179.01 179.03 2aqi h GLU 220 N 0.46 0.83 -0.53 2.33 5.08 -0.82 -2.50 114.58 119.42 2aqi h GLU 220 Ca 0.13 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2aqi h GLU 220 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2aqi h GLU 220 CO -0.03 0.72 0.23 0.78 -1.00 0.00 0.00 179.01 179.72 2aqi h GLY 221 N 0.76 0.81 0.84 -3.84 0.00 -0.52 -1.54 103.07 99.59 2aqi h GLY 221 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2aqi h GLY 221 CO -0.01 0.37 -0.16 -0.25 0.00 0.00 0.00 176.54 176.49 2aqi h TRP 222 N 0.76 -0.41 -0.95 5.60 2.91 -0.61 -0.88 115.95 122.37 2aqi h TRP 222 Ca 0.18 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.24 2aqi h TRP 222 Cb 0.12 0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 28.85 2aqi h TRP 222 CO 0.01 -0.15 0.62 0.22 -1.03 0.00 0.00 178.44 178.11 2aqi h ASP 223 N -0.60 1.01 -0.10 2.65 -0.00 -1.38 0.14 116.42 118.15 2aqi h ASP 223 Ca -0.05 -0.01 0.01 0.00 -0.00 0.00 0.00 57.03 56.99 2aqi h ASP 223 Cb 0.44 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 2aqi h ASP 223 CO 0.07 0.68 0.01 1.56 -0.00 0.00 0.00 179.24 181.57 2aqi h GLN 224 N 1.17 0.05 0.00 0.28 4.20 -0.86 -3.21 115.11 116.75 2aqi h GLN 224 Ca 0.39 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2aqi h GLN 224 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2aqi h GLN 224 CO -0.13 0.03 -0.60 0.07 -0.67 0.00 0.00 178.83 177.54 2aqi h ARG 225 N 0.05 0.00 -6.00 1.46 0.11 -0.98 -3.44 114.38 105.59 2aqi h ARG 225 Ca 0.04 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.46 2aqi h ARG 225 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2aqi h ARG 225 CO -0.06 0.00 1.42 0.00 0.10 0.00 0.00 179.97 181.42 2aqi n ALA 226 N -2.08 1.15 0.31 0.08 0.00 0.49 -4.52 120.51 115.93 2aqi n ALA 226 Ca 0.02 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2aqi n ALA 226 Cb 0.52 -2.59 1.02 0.00 0.00 0.00 0.00 19.45 18.40 2aqi n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2aqi h PRO 227 N 12.58 0.00 -0.30 0.00 0.11 -1.78 0.26 132.00 142.87 2aqi h PRO 227 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2aqi h PRO 227 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2aqi h PRO 227 CO 1.01 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.24 2aqi n ILE 228 N -3.54 2.15 -0.36 4.15 -5.35 -1.19 -5.09 119.36 110.14 2aqi n ILE 228 Ca -0.03 -1.72 0.05 0.00 -0.27 0.00 0.00 62.75 60.78 2aqi n ILE 228 Cb 0.11 -0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 37.84 2aqi n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aqi n GLY 229 N -0.26 -2.31 2.83 3.28 0.00 0.08 -4.97 105.19 103.84 2aqi n GLY 229 Ca 0.21 -1.39 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 2aqi n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2aqi s TRP 230 N -2.59 -0.16 -0.45 1.61 -0.11 -1.26 -4.42 118.94 111.57 2aqi s TRP 230 Ca 0.00 0.56 -0.08 0.00 1.22 0.00 0.00 56.10 57.80 2aqi s TRP 230 Cb 0.00 -0.25 0.11 0.00 -1.50 0.00 0.00 33.47 31.83 2aqi s TRP 230 CO 0.00 -0.25 0.30 1.21 -4.62 0.00 0.00 176.95 173.59 2aqi s ASN 231 N 2.11 5.61 0.21 5.86 3.84 -1.26 -4.58 114.94 126.73 2aqi s ASN 231 Ca 0.01 -1.84 0.19 0.00 0.21 0.00 0.00 52.86 51.43 2aqi s ASN 231 Cb -0.12 -1.98 0.87 0.00 -0.55 0.00 0.00 41.25 39.47 2aqi s ASN 231 CO -0.05 -0.64 1.57 1.15 -2.79 0.00 0.00 177.10 176.34 2aqi n MET 232 N 4.86 0.13 0.00 0.43 0.00 -1.26 -1.50 117.12 119.78 2aqi n MET 232 Ca -0.07 0.47 0.13 0.00 0.00 0.00 0.00 57.70 58.22 2aqi n MET 232 Cb 0.41 -1.80 0.32 0.00 0.00 0.00 0.00 33.22 32.15 2aqi n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2aqi n LYS 233 N -2.05 1.20 -3.98 3.17 5.02 -1.26 0.14 118.16 120.39 2aqi n LYS 233 Ca 0.01 -0.79 -0.32 0.00 -2.02 0.00 0.00 58.31 55.19 2aqi n LYS 233 Cb 0.13 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 2aqi n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2aqi s ASP 234 N -2.35 4.82 0.00 4.39 2.15 -0.56 -4.93 116.67 120.18 2aqi s ASP 234 Ca 0.26 -2.19 0.26 0.00 0.43 0.00 0.00 52.55 51.31 2aqi s ASP 234 Cb 0.19 -1.66 1.36 0.00 -0.30 0.00 0.00 42.92 42.52 2aqi s ASP 234 CO 0.47 -0.40 1.87 0.00 -0.17 0.00 0.00 175.17 176.95 2aqi n ALA 235 N 4.24 2.33 -0.10 3.66 0.00 -1.26 -4.27 120.51 125.11 2aqi n ALA 235 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 2aqi n ALA 235 Cb 0.41 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2aqi n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2aqi h THR 236 N 0.00 1.14 -0.17 0.00 2.02 -1.94 -1.06 112.91 112.89 2aqi h THR 236 Ca 0.00 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 66.85 2aqi h THR 236 Cb 0.16 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2aqi h THR 236 CO 0.00 0.14 0.13 -0.65 0.37 0.00 0.00 175.52 175.51 2aqi h PRO 237 N 0.41 0.01 -0.11 6.66 0.11 -1.98 -0.57 132.00 136.53 2aqi h PRO 237 Ca 0.12 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 2aqi h PRO 237 Cb 0.07 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.19 2aqi h PRO 237 CO -0.02 0.00 -0.75 -0.24 -0.21 0.00 0.00 178.00 176.79 2aqi h VAL 238 N 0.01 1.31 -0.76 3.15 3.04 -1.72 -2.81 116.25 118.47 2aqi h VAL 238 Ca 0.08 -1.99 0.02 0.00 -1.01 0.00 0.00 66.70 63.80 2aqi h VAL 238 Cb 0.32 2.14 -0.04 0.00 -2.01 0.00 0.00 31.29 31.71 2aqi h VAL 238 CO -0.00 0.62 0.49 0.00 -1.01 0.00 0.00 177.57 177.67 2aqi h ALA 239 N 0.49 0.97 -0.60 3.17 0.00 -0.61 -1.15 119.26 121.54 2aqi h ALA 239 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2aqi h ALA 239 Cb 1.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2aqi h ALA 239 CO 0.15 0.34 0.29 0.87 0.00 0.00 0.00 179.25 180.90 2aqi h LYS 240 N 0.99 0.86 -0.31 0.00 1.57 -1.21 -0.88 116.57 117.60 2aqi h LYS 240 Ca 0.29 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2aqi h LYS 240 Cb -0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2aqi h LYS 240 CO -0.08 0.69 0.19 1.15 -0.57 0.00 0.00 179.45 180.83 2aqi h THR 241 N 0.82 1.06 -0.23 -0.16 2.02 -1.19 0.50 112.91 115.72 2aqi h THR 241 Ca 0.21 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.28 2aqi h THR 241 Cb 0.11 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2aqi h THR 241 CO -0.03 0.07 0.04 0.58 0.37 0.00 0.00 175.52 176.56 2aqi h VAL 242 N 0.39 0.89 -0.62 3.16 2.07 -1.03 -2.05 116.25 119.06 2aqi h VAL 242 Ca 0.12 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2aqi h VAL 242 Cb -0.03 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2aqi h VAL 242 CO -0.04 0.02 0.30 0.00 0.02 0.00 0.00 177.57 177.88 2aqi h ALA 244 N 1.36 0.92 -0.01 0.00 0.00 0.59 -0.69 119.26 121.43 2aqi h ALA 244 Ca 0.29 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.26 2aqi h ALA 244 Cb 0.25 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2aqi h ALA 244 CO -0.22 -0.38 -0.62 -0.07 0.00 0.00 0.00 179.25 177.97 2aqi h LEU 245 N 0.21 0.02 -1.25 0.00 3.38 -0.63 -2.81 115.31 114.23 2aqi h LEU 245 Ca 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2aqi h LEU 245 Cb 0.74 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2aqi h LEU 245 CO -0.56 0.63 -0.03 -0.07 0.09 0.00 0.00 178.44 178.50 2aqi h LEU 246 N 0.01 0.00 0.00 1.67 3.38 0.26 -3.46 115.31 117.18 2aqi h LEU 246 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2aqi h LEU 246 Cb 1.09 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.92 2aqi h LEU 246 CO 0.08 0.03 0.14 -1.54 0.09 0.00 0.00 178.44 177.25 2aqi n SER 247 N -3.14 0.52 -0.64 -0.43 3.41 -0.38 -4.78 113.62 108.18 2aqi n SER 247 Ca 0.01 -1.54 0.07 0.00 -0.26 0.00 0.00 58.87 57.15 2aqi n SER 247 Cb 0.35 -0.48 0.21 0.00 -0.26 0.00 0.00 64.21 64.03 2aqi n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2aqi n ASP 248 N -3.17 1.88 -0.70 4.04 8.00 -1.26 -4.30 116.55 121.04 2aqi n ASP 248 Ca 0.10 -1.93 0.13 0.00 0.71 0.00 0.00 54.79 53.79 2aqi n ASP 248 Cb 0.36 -0.21 0.27 0.00 -0.02 0.00 0.00 41.12 41.51 2aqi n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2aqi n TRP 249 N 0.51 0.00 -3.14 1.24 7.02 -1.26 -4.06 117.44 117.75 2aqi n TRP 249 Ca 0.13 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.39 2aqi n TRP 249 Cb 0.31 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.15 2aqi n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2aqi n LEU 250 N 0.68 1.93 0.16 -0.99 7.99 -1.26 -4.96 117.00 120.55 2aqi n LEU 250 Ca 0.15 -5.18 0.13 0.00 -0.01 0.00 0.00 56.01 51.11 2aqi n LEU 250 Cb 0.48 0.26 0.38 0.00 -0.11 0.00 0.00 43.42 44.43 2aqi n LEU 250 CO 0.17 2.26 0.87 1.55 -1.51 0.00 0.00 177.39 180.73 2aqi h PRO 251 N 3.23 0.00 -0.44 3.23 0.13 -1.87 -3.08 132.00 133.20 2aqi h PRO 251 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2aqi h PRO 251 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2aqi h PRO 251 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 2aqi n ALA 252 N -1.91 3.16 -4.05 -0.56 0.00 -1.26 -4.94 120.51 110.96 2aqi n ALA 252 Ca 0.04 -1.92 -0.33 0.00 0.00 0.00 0.00 53.44 51.23 2aqi n ALA 252 Cb 0.42 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.86 2aqi n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2aqi s THR 253 N -2.38 2.21 0.07 0.00 -1.32 -1.17 -5.09 115.64 107.96 2aqi s THR 253 Ca 0.45 -1.04 -0.17 0.00 -1.21 0.00 0.00 61.69 59.72 2aqi s THR 253 Cb 0.33 -2.02 0.03 0.00 -1.51 0.00 0.00 72.50 69.34 2aqi s THR 253 CO 0.15 0.41 0.40 0.28 -2.21 0.00 0.00 174.62 173.64 2aqi s THR 254 N 1.27 0.06 -1.03 5.08 -1.32 -1.26 -4.65 115.64 113.79 2aqi s THR 254 Ca 0.02 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2aqi s THR 254 Cb -0.15 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 2aqi s THR 254 CO -0.10 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.63 2aqi n GLY 255 N 0.28 1.11 3.70 6.08 0.00 0.29 -4.94 105.19 111.71 2aqi n GLY 255 Ca -0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 2aqi n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqi s ASP 256 N -2.75 3.81 -0.08 1.61 -1.08 -1.22 -4.42 116.67 112.54 2aqi s ASP 256 Ca 0.00 -1.66 -0.00 0.00 -0.52 0.00 0.00 52.55 50.36 2aqi s ASP 256 Cb 0.00 0.53 0.02 0.00 -1.46 0.00 0.00 42.92 42.01 2aqi s ASP 256 CO 0.00 -0.88 -0.05 -0.63 0.52 0.00 0.00 175.17 174.13 2aqi s ILE 257 N -2.96 0.75 -0.17 4.11 1.01 -1.26 -0.71 121.20 121.98 2aqi s ILE 257 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 2aqi s ILE 257 Cb 0.02 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2aqi s ILE 257 CO 0.06 0.31 0.08 -0.63 0.00 0.00 0.00 174.94 174.76 2aqi s ILE 258 N 1.59 4.94 -0.39 2.92 -1.09 0.41 -4.94 121.20 124.63 2aqi s ILE 258 Ca 0.01 0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.31 2aqi s ILE 258 Cb -0.13 -3.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2aqi s ILE 258 CO -0.05 0.49 0.27 -0.31 -1.23 0.00 0.00 174.94 174.11 2aqi s TYR 259 N 0.05 3.24 -0.93 3.97 1.51 -1.26 0.14 117.35 124.07 2aqi s TYR 259 Ca 0.06 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2aqi s TYR 259 Cb -0.12 -2.53 0.26 0.00 -0.11 0.00 0.00 41.96 39.45 2aqi s TYR 259 CO 0.00 -0.56 1.00 0.00 -1.11 0.00 0.00 175.55 174.89 2aqi n ALA 260 N 5.11 4.27 -1.39 3.71 0.00 0.80 -4.71 120.51 128.30 2aqi n ALA 260 Ca -0.12 -4.70 0.01 0.00 0.00 0.00 0.00 53.44 48.64 2aqi n ALA 260 Cb 0.47 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.11 2aqi n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2aqi n ASP 261 N 1.82 0.31 0.00 0.00 5.75 -1.26 -1.44 116.55 121.73 2aqi n ASP 261 Ca 0.25 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 2aqi n ASP 261 Cb 0.37 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2aqi n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqi n GLY 262 N -0.14 0.75 2.58 6.12 0.00 -1.26 -2.68 105.19 110.56 2aqi n GLY 262 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2aqi n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqi n GLY 263 N -2.46 0.88 0.40 -0.02 0.00 -1.26 -2.81 105.19 99.92 2aqi n GLY 263 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2aqi n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqi h ALA 264 N 0.00 2.18 0.00 4.61 0.00 -1.74 -0.38 119.26 123.93 2aqi h ALA 264 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2aqi h ALA 264 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2aqi h ALA 264 CO 0.00 -0.47 0.00 -2.39 0.00 0.00 0.00 179.25 176.39 2aqi n HIS 265 N -4.52 0.01 0.89 0.00 1.44 -1.26 -2.48 115.22 109.29 2aqi n HIS 265 Ca 0.20 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.03 2aqi n HIS 265 Cb 0.70 -0.50 0.28 0.00 0.12 0.00 0.00 29.99 30.58 2aqi n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2aqi n THR 266 N -1.50 0.24 -4.54 0.61 -2.24 -0.15 -4.90 114.28 101.79 2aqi n THR 266 Ca 0.05 -0.51 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 2aqi n THR 266 Cb 0.24 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.19 2aqi n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2aqi s GLN 267 N -1.76 1.14 -0.22 -0.78 -1.52 -1.03 -5.04 119.66 110.44 2aqi s GLN 267 Ca 0.34 -0.73 -0.17 0.00 -1.95 0.00 0.00 55.36 52.85 2aqi s GLN 267 Cb 0.20 -1.16 -0.18 0.00 -0.22 0.00 0.00 33.01 31.66 2aqi s GLN 267 CO 0.30 0.30 0.05 -0.11 -0.25 0.00 0.00 175.29 175.58 2aqi n LEU 268 N 2.16 2.00 0.00 2.90 7.94 -1.26 -4.99 117.00 125.75 2aqi n LEU 268 Ca -0.17 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2aqi n LEU 268 Cb 0.54 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2aqi n LEU 268 CO 0.23 0.44 0.03 -0.11 -1.11 0.00 0.00 177.39 176.88