#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hna s ALA 2 N 0.00 -0.49 -0.08 -5.12 0.00 -1.26 -4.48 121.76 110.32 2hna s ALA 2 Ca 0.00 0.12 0.21 0.00 0.00 0.00 0.00 51.96 52.29 2hna s ALA 2 Cb 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 23.12 22.83 2hna s ALA 2 CO 0.00 -0.20 0.38 -3.47 0.00 0.00 0.00 175.76 172.46 2hna n ASP 3 N 1.66 0.03 -3.83 0.00 2.03 0.65 -4.89 116.55 112.20 2hna n ASP 3 Ca -0.21 0.01 -0.17 0.00 0.52 0.00 0.00 54.79 54.94 2hna n ASP 3 Cb 0.56 1.65 -0.16 0.00 -0.72 0.00 0.00 41.12 42.45 2hna n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hna s ILE 4 N -3.21 0.22 -0.06 5.18 1.01 -0.98 -3.63 121.20 119.74 2hna s ILE 4 Ca -0.08 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 2hna s ILE 4 Cb 0.12 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2hna s ILE 4 CO 0.88 0.15 0.72 0.28 0.00 0.00 0.00 174.94 176.97 2hna s THR 5 N 0.94 5.02 -0.60 2.92 -1.32 -1.18 -1.52 115.64 119.90 2hna s THR 5 Ca -0.10 1.48 -0.07 0.00 -1.21 0.00 0.00 61.69 61.79 2hna s THR 5 Cb -0.13 -4.06 0.16 0.00 -1.51 0.00 0.00 72.50 66.96 2hna s THR 5 CO -0.01 0.25 0.46 -0.76 -2.21 0.00 0.00 174.62 172.36 2hna s LEU 6 N 0.76 5.73 -0.72 9.08 2.01 -0.50 -1.78 118.68 133.26 2hna s LEU 6 Ca 0.38 -2.45 -0.22 0.00 0.01 0.00 0.00 54.13 51.85 2hna s LEU 6 Cb -0.18 -1.98 0.07 0.00 0.01 0.00 0.00 46.19 44.11 2hna s LEU 6 CO 0.19 -0.53 1.04 -0.63 1.01 0.00 0.00 176.35 177.42 2hna s ILE 7 N 0.54 4.31 -0.56 -0.59 1.01 -0.00 -1.40 121.20 124.51 2hna s ILE 7 Ca 0.13 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2hna s ILE 7 Cb -0.20 -4.74 0.02 0.00 0.01 0.00 0.00 42.46 37.55 2hna s ILE 7 CO -0.04 -1.52 2.85 -1.20 0.00 0.00 0.00 174.94 175.03 2hna n SER 8 N 7.75 6.61 -0.12 3.58 7.64 0.16 -1.06 113.62 138.17 2hna n SER 8 Ca 0.02 -3.07 0.03 0.00 1.01 0.00 0.00 58.87 56.87 2hna n SER 8 Cb 0.46 -1.29 0.15 0.00 -1.01 0.00 0.00 64.21 62.52 2hna n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hna n GLY 9 N 1.34 -0.70 0.33 0.23 0.00 -1.26 -2.03 105.19 103.11 2hna n GLY 9 Ca 0.51 -0.10 0.22 0.00 0.00 0.00 0.00 46.02 46.65 2hna n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hna h SER 10 N 0.40 0.07 -0.71 1.61 0.02 -1.67 -1.52 113.55 111.75 2hna h SER 10 Ca 0.00 0.24 -0.32 0.00 -0.84 0.00 0.00 61.79 60.87 2hna h SER 10 Cb 0.09 0.31 -0.29 0.00 0.14 0.00 0.00 62.40 62.65 2hna h SER 10 CO 0.00 -0.31 -0.82 1.07 -1.14 0.00 0.00 176.83 175.63 2hna n THR 11 N -5.28 0.34 -3.64 -2.27 5.66 -1.26 -3.41 114.28 104.42 2hna n THR 11 Ca 0.30 -2.60 -0.26 0.00 -3.05 0.00 0.00 64.05 58.43 2hna n THR 11 Cb 0.97 0.74 0.04 0.00 -1.55 0.00 0.00 70.33 70.53 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2hna n LEU 12 N -0.11 -2.80 0.00 1.09 7.94 -0.57 -4.89 117.00 117.66 2hna n LEU 12 Ca 0.07 -0.60 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 2hna n LEU 12 Cb 0.79 -2.76 0.00 0.00 0.53 0.00 0.00 43.42 41.98 2hna n LEU 12 CO 0.12 0.48 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 2hna n GLY 13 N -1.75 3.21 0.00 -3.96 0.00 -0.86 -4.87 105.19 96.96 2hna n GLY 13 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2hna n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hna n GLY 14 N -0.93 2.38 2.76 -0.02 0.00 -1.07 -2.54 105.19 105.77 2hna n GLY 14 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2hna n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 15 N -3.00 4.83 -0.28 4.61 0.00 -1.26 -4.79 120.51 120.62 2hna n ALA 15 Ca 0.00 -3.10 0.12 0.00 0.00 0.00 0.00 53.44 50.46 2hna n ALA 15 Cb 0.00 -3.40 0.38 0.00 0.00 0.00 0.00 19.45 16.43 2hna n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hna h GLU 16 N 6.61 0.67 -0.50 0.00 4.39 -1.96 -1.05 114.58 122.74 2hna h GLU 16 Ca 0.54 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.21 2hna h GLU 16 Cb 0.46 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2hna h GLU 16 CO 1.78 0.45 0.32 -0.92 -1.16 0.00 0.00 179.01 179.48 2hna h TYR 17 N 0.69 0.61 0.01 4.33 5.03 -1.99 0.77 116.97 126.42 2hna h TYR 17 Ca 0.46 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.59 2hna h TYR 17 Cb 0.75 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 2hna h TYR 17 CO -0.00 0.38 -0.89 -0.24 -1.32 0.00 0.00 178.16 176.09 2hna h VAL 18 N 0.66 1.50 -0.56 1.81 3.04 -1.63 -1.00 116.25 120.07 2hna h VAL 18 Ca 0.18 -2.65 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 2hna h VAL 18 Cb -0.06 2.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.68 2hna h VAL 18 CO -0.05 0.77 0.17 0.00 -1.01 0.00 0.00 177.57 177.46 2hna h ALA 19 N 0.97 0.73 -0.58 3.17 0.00 -0.97 0.64 119.26 123.23 2hna h ALA 19 Ca -0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2hna h ALA 19 Cb 1.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2hna h ALA 19 CO 0.13 0.39 -0.04 1.49 0.00 0.00 0.00 179.25 181.23 2hna h GLU 20 N 0.78 1.03 -0.29 0.00 4.81 -0.75 -0.55 114.58 119.61 2hna h GLU 20 Ca 0.18 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2hna h GLU 20 Cb 0.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2hna h GLU 20 CO -0.01 1.03 0.13 1.25 -0.73 0.00 0.00 179.01 180.68 2hna h HIS 21 N 0.93 0.43 0.00 0.92 2.76 -0.93 -0.49 115.15 118.78 2hna h HIS 21 Ca 0.16 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 2hna h HIS 21 Cb 0.59 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 2hna h HIS 21 CO 0.04 0.41 -0.18 -0.07 -1.30 0.00 0.00 177.93 176.84 2hna h LEU 22 N 0.32 -0.51 -0.34 0.26 3.38 -0.75 -1.43 115.31 116.24 2hna h LEU 22 Ca 0.10 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2hna h LEU 22 Cb 0.15 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2hna h LEU 22 CO -0.01 -0.24 -0.20 0.00 0.09 0.00 0.00 178.44 178.08 2hna h ALA 23 N 0.63 0.03 0.10 1.53 0.00 -0.95 -0.42 119.26 120.18 2hna h ALA 23 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2hna h ALA 23 Cb 0.36 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2hna h ALA 23 CO -0.16 -0.59 -0.25 1.49 0.00 0.00 0.00 179.25 179.74 2hna h GLU 24 N -0.15 -0.43 -0.90 0.00 4.81 -0.64 -0.53 114.58 116.74 2hna h GLU 24 Ca 0.17 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2hna h GLU 24 Cb 0.42 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2hna h GLU 24 CO -0.44 -0.29 0.59 0.87 -0.73 0.00 0.00 179.01 179.02 2hna h LYS 25 N -0.45 1.17 -0.12 1.92 1.79 -1.00 -0.71 116.57 119.18 2hna h LYS 25 Ca 0.03 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 2hna h LYS 25 Cb 0.48 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2hna h LYS 25 CO -0.16 0.78 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.51 2hna h LEU 26 N 1.21 0.28 -0.42 2.94 4.07 -0.56 0.50 115.31 123.32 2hna h LEU 26 Ca 0.33 -0.12 -0.17 0.00 0.08 0.00 0.00 57.88 58.00 2hna h LEU 26 Cb -0.13 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 2hna h LEU 26 CO -0.07 0.66 -0.58 -0.33 -1.08 0.00 0.00 178.44 177.03 2hna h GLU 27 N 0.22 0.65 0.00 1.13 5.08 -0.44 -2.46 114.58 118.76 2hna h GLU 27 Ca 0.02 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2hna h GLU 27 Cb 0.82 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2hna h GLU 27 CO 0.06 1.04 -0.18 0.93 -1.00 0.00 0.00 179.01 179.87 2hna h GLU 28 N 0.49 0.00 0.00 2.33 4.39 -0.88 -1.73 114.58 119.17 2hna h GLU 28 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2hna h GLU 28 Cb 1.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2hna h GLU 28 CO 0.11 0.18 -0.09 0.00 -1.16 0.00 0.00 179.01 178.05 2hna h ALA 29 N 1.82 1.02 0.00 3.43 0.00 -0.53 -3.47 119.26 121.53 2hna h ALA 29 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hna h ALA 29 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hna h ALA 29 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2hna n GLY 30 N 0.08 0.35 0.00 0.00 0.00 -0.65 -5.08 105.19 99.89 2hna n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hna n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hna n PHE 31 N 0.00 -2.28 -4.19 1.61 3.72 -0.96 -4.99 117.46 110.37 2hna n PHE 31 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 2hna n PHE 31 Cb 0.00 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.42 2hna n PHE 31 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2hna s THR 32 N 0.85 1.18 0.07 4.37 -4.23 -1.26 -4.31 115.64 112.31 2hna s THR 32 Ca 0.00 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2hna s THR 32 Cb 0.00 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 2hna s THR 32 CO 0.00 -0.26 0.09 0.42 -0.54 0.00 0.00 174.62 174.33 2hna s THR 33 N -1.48 0.17 -0.26 3.99 -4.23 -1.26 -0.25 115.64 112.32 2hna s THR 33 Ca 0.01 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2hna s THR 33 Cb -0.09 -1.45 0.07 0.00 1.34 0.00 0.00 72.50 72.38 2hna s THR 33 CO 0.02 -0.79 0.01 -0.70 -0.54 0.00 0.00 174.62 172.63 2hna s GLU 34 N -3.89 1.19 -0.10 3.99 -6.30 -0.57 -4.77 118.70 108.24 2hna s GLU 34 Ca 0.07 -1.01 -0.30 0.00 -2.50 0.00 0.00 54.97 51.24 2hna s GLU 34 Cb 0.06 -2.42 -0.03 0.00 0.00 0.00 0.00 34.13 31.74 2hna s GLU 34 CO -0.10 -0.74 1.40 0.99 0.02 0.00 0.00 175.26 176.83 2hna s THR 35 N 1.48 3.97 0.05 -1.70 2.01 -1.26 -1.41 115.64 118.78 2hna s THR 35 Ca 0.01 1.21 -0.00 0.00 0.31 0.00 0.00 61.69 63.22 2hna s THR 35 Cb -0.18 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2hna s THR 35 CO -0.12 -0.09 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.93 2hna s LEU 36 N 3.43 2.44 -0.21 4.42 1.43 -0.49 -4.97 118.68 124.73 2hna s LEU 36 Ca 0.62 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2hna s LEU 36 Cb -0.27 0.12 0.61 0.00 0.03 0.00 0.00 46.19 46.68 2hna s LEU 36 CO 0.21 -0.51 1.50 1.41 0.23 0.00 0.00 176.35 179.20 2hna n HIS 37 N 0.38 1.75 -3.83 0.29 8.25 -1.26 -0.67 115.22 120.13 2hna n HIS 37 Ca -0.16 -0.74 -0.27 0.00 -0.26 0.00 0.00 57.72 56.29 2hna n HIS 37 Cb 0.60 -0.49 0.03 0.00 1.12 0.00 0.00 29.99 31.25 2hna n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hna n GLY 38 N 0.25 -0.44 0.29 -1.41 0.00 -1.26 -3.41 105.19 99.20 2hna n GLY 38 Ca 0.26 0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.62 2hna n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna h PRO 39 N -2.09 0.00 -0.16 1.61 0.13 -1.92 -1.95 132.00 127.61 2hna h PRO 39 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2hna h PRO 39 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hna h PRO 39 CO 0.63 0.06 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 2hna n LEU 40 N -3.35 2.72 0.00 1.56 4.77 -1.26 -4.97 117.00 116.47 2hna n LEU 40 Ca -0.01 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 2hna n LEU 40 Cb 0.22 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2hna n LEU 40 CO 0.27 0.64 0.00 -0.11 -1.33 0.00 0.00 177.39 176.86 2hna n LEU 41 N -0.32 0.00 -2.85 2.23 7.94 -0.74 -4.55 117.00 118.71 2hna n LEU 41 Ca 0.11 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.00 2hna n LEU 41 Cb 0.49 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.45 2hna n LEU 41 CO 0.06 0.00 0.32 -1.83 -1.11 0.00 0.00 177.39 174.82 2hna s GLU 42 N 0.00 0.51 0.17 1.96 -1.05 -1.26 -4.99 118.70 114.03 2hna s GLU 42 Ca 0.00 -0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 54.37 2hna s GLU 42 Cb 0.00 0.02 0.06 0.00 -0.44 0.00 0.00 34.13 33.77 2hna s GLU 42 CO 0.00 -0.68 1.71 0.22 0.95 0.00 0.00 175.26 177.46 2hna h ASP 43 N 5.44 0.79 -3.42 0.83 3.58 -1.95 -3.41 116.42 118.28 2hna h ASP 43 Ca 0.01 -0.18 -0.54 0.00 0.42 0.00 0.00 57.03 56.74 2hna h ASP 43 Cb 1.18 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2hna h ASP 43 CO -0.02 0.75 -0.11 -0.76 -2.88 0.00 0.00 179.24 176.22 2hna s LEU 44 N -9.73 4.19 0.00 2.28 1.43 -1.26 -5.09 118.68 110.50 2hna s LEU 44 Ca -0.13 0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 53.70 2hna s LEU 44 Cb 0.12 -3.62 0.31 0.00 0.03 0.00 0.00 46.19 43.03 2hna s LEU 44 CO 0.79 -0.05 0.99 -0.81 0.23 0.00 0.00 176.35 177.50 2hna n PRO 45 N -0.01 -3.48 -0.01 1.29 -0.04 -1.26 -4.86 135.00 126.63 2hna n PRO 45 Ca -0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2hna n PRO 45 Cb 0.52 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2hna n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 46 N -5.01 2.02 -3.15 0.55 0.00 -1.26 -4.38 120.51 109.28 2hna n ALA 46 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.29 2hna n ALA 46 Cb 0.56 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 2hna n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hna s SER 47 N 1.04 -1.32 0.00 0.00 1.04 -1.26 -3.88 113.70 109.32 2hna s SER 47 Ca 0.00 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2hna s SER 47 Cb 0.00 2.04 0.00 0.00 0.10 0.00 0.00 66.02 68.16 2hna s SER 47 CO 0.00 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2hna n GLY 48 N 5.42 -0.17 3.07 7.32 0.00 -1.24 -4.97 105.19 114.62 2hna n GLY 48 Ca -0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -4.00 1.27 0.17 -0.61 -1.09 -1.24 -3.53 121.20 112.16 2hna s ILE 49 Ca 0.00 -0.58 0.11 0.00 -2.23 0.00 0.00 60.65 57.95 2hna s ILE 49 Cb 0.00 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 2hna s ILE 49 CO 0.00 0.38 -0.24 0.26 -1.23 0.00 0.00 174.94 174.11 2hna s TRP 50 N 0.45 2.32 -0.04 3.97 0.52 -0.39 -3.10 118.94 122.67 2hna s TRP 50 Ca -0.12 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.60 2hna s TRP 50 Cb -0.14 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.00 2hna s TRP 50 CO 0.04 0.45 0.13 -0.51 0.02 0.00 0.00 176.95 177.07 2hna s LEU 51 N -2.47 1.53 -0.04 2.99 1.43 -0.73 -2.50 118.68 118.90 2hna s LEU 51 Ca 0.19 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 2hna s LEU 51 Cb -0.09 0.45 -0.01 0.00 0.03 0.00 0.00 46.19 46.58 2hna s LEU 51 CO 0.09 -0.08 -0.17 -0.69 0.23 0.00 0.00 176.35 175.73 2hna s VAL 52 N -0.10 1.41 -0.11 -1.59 1.01 -0.08 -0.82 120.40 120.12 2hna s VAL 52 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2hna s VAL 52 Cb -0.02 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2hna s VAL 52 CO 0.00 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.75 2hna s ILE 53 N -0.05 1.34 0.10 2.22 1.09 -0.23 -0.68 121.20 124.99 2hna s ILE 53 Ca -0.02 -0.52 -0.05 0.00 -1.10 0.00 0.00 60.65 58.96 2hna s ILE 53 Cb -0.11 -1.26 0.02 0.00 -1.06 0.00 0.00 42.46 40.05 2hna s ILE 53 CO 0.02 0.41 0.25 -1.20 -0.10 0.00 0.00 174.94 174.32 2hna n SER 54 N 4.48 -0.62 -2.97 3.58 7.64 -0.89 -4.02 113.62 120.82 2hna n SER 54 Ca -0.17 -1.40 -0.16 0.00 1.01 0.00 0.00 58.87 58.14 2hna n SER 54 Cb 0.51 1.03 -0.01 0.00 -1.01 0.00 0.00 64.21 64.72 2hna n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hna n SER 55 N -1.05 -1.35 -0.03 6.43 7.64 -1.26 -1.78 113.62 122.22 2hna n SER 55 Ca -0.02 -3.01 0.24 0.00 1.01 0.00 0.00 58.87 57.09 2hna n SER 55 Cb 0.17 0.60 0.71 0.00 -1.01 0.00 0.00 64.21 64.68 2hna n SER 55 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2hna h THR 56 N 2.49 0.39 0.00 0.44 1.35 -1.89 -0.01 112.91 115.68 2hna h THR 56 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.79 2hna h THR 56 Cb 0.96 0.55 -0.08 0.00 -1.73 0.00 0.00 68.15 67.85 2hna h THR 56 CO 0.39 0.00 -0.46 1.41 -0.25 0.00 0.00 175.52 176.61 2hna n HIS 57 N -3.84 0.00 0.00 4.73 8.25 -1.26 -3.85 115.22 119.25 2hna n HIS 57 Ca 0.13 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 2hna n HIS 57 Cb 0.83 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hna n GLY 58 N -0.70 0.00 1.99 -1.41 0.00 -0.66 -4.82 105.19 99.58 2hna n GLY 58 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 2hna n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 59 N -0.84 2.66 -1.36 4.61 0.00 -0.11 -5.05 120.51 120.42 2hna n ALA 59 Ca 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 53.44 50.68 2hna n ALA 59 Cb 0.09 -0.75 0.13 0.00 0.00 0.00 0.00 19.45 18.91 2hna n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 60 N -0.09 -1.82 3.15 0.00 0.00 -1.15 -4.85 105.19 100.43 2hna n GLY 60 Ca 0.09 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 2hna n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hna s ASP 61 N -3.61 0.06 0.40 1.61 2.15 -1.26 -4.94 116.67 111.08 2hna s ASP 61 Ca 0.43 -0.35 0.14 0.00 0.43 0.00 0.00 52.55 53.19 2hna s ASP 61 Cb -0.02 0.25 0.98 0.00 -0.30 0.00 0.00 42.92 43.83 2hna s ASP 61 CO 0.31 -0.49 1.88 0.16 -0.17 0.00 0.00 175.17 176.86 2hna h ILE 62 N 3.74 0.76 -0.01 4.11 3.07 -1.94 -2.35 117.51 124.89 2hna h ILE 62 Ca -0.32 -0.18 -0.15 0.00 1.55 0.00 0.00 64.86 65.76 2hna h ILE 62 Cb 1.19 0.21 -0.02 0.00 -0.27 0.00 0.00 36.82 37.93 2hna h ILE 62 CO 0.46 0.09 -0.70 1.55 -1.05 0.00 0.00 178.15 178.51 2hna h PRO 63 N 0.51 0.08 0.00 0.16 0.13 -1.90 -3.40 132.00 127.58 2hna h PRO 63 Ca 0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 2hna h PRO 63 Cb 0.92 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2hna h PRO 63 CO -0.18 0.74 0.00 -3.47 -0.23 0.00 0.00 178.00 174.87 2hna n ASP 64 N -3.74 -0.67 0.00 1.44 -0.08 -0.91 -4.87 116.55 107.72 2hna n ASP 64 Ca -0.02 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2hna n ASP 64 Cb 0.68 0.95 0.00 0.00 2.34 0.00 0.00 41.12 45.09 2hna n ASP 64 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2hna n ASN 65 N -2.86 0.00 -4.57 1.67 5.15 -1.08 -0.39 115.26 113.18 2hna n ASN 65 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 2hna n ASN 65 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hna s LEU 66 N 0.00 3.02 0.01 1.20 2.01 -1.22 -4.60 118.68 119.11 2hna s LEU 66 Ca 0.00 -1.14 -0.25 0.00 0.01 0.00 0.00 54.13 52.74 2hna s LEU 66 Cb 0.00 -2.58 -0.17 0.00 0.01 0.00 0.00 46.19 43.46 2hna s LEU 66 CO 0.00 -3.15 1.27 0.77 1.01 0.00 0.00 176.35 176.25 2hna h SER 67 N 10.63 -0.35 0.17 2.29 4.64 -1.85 -1.35 113.55 127.73 2hna h SER 67 Ca 0.14 -0.17 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 2hna h SER 67 Cb 0.97 0.09 0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2hna h SER 67 CO 1.19 -0.00 -1.14 1.55 -0.87 0.00 0.00 176.83 177.55 2hna h PRO 68 N -0.73 0.47 0.07 4.77 0.13 -1.88 -3.37 132.00 131.47 2hna h PRO 68 Ca -0.04 -0.74 -0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2hna h PRO 68 Cb 0.49 0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2hna h PRO 68 CO 0.07 1.34 -0.03 0.74 -0.23 0.00 0.00 178.00 179.89 2hna h PHE 69 N -0.01 -0.09 -0.45 1.56 -1.00 -1.83 -0.27 116.94 114.84 2hna h PHE 69 Ca -0.19 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.57 2hna h PHE 69 Cb 1.88 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 41.44 2hna h PHE 69 CO 0.15 0.20 0.23 -0.92 -1.61 0.00 0.00 178.31 176.36 2hna h TYR 70 N -0.38 0.63 -0.21 -0.55 3.20 -1.45 0.28 116.97 118.50 2hna h TYR 70 Ca -0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2hna h TYR 70 Cb 0.33 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2hna h TYR 70 CO 0.02 0.49 0.05 0.93 -1.64 0.00 0.00 178.16 178.02 2hna h GLU 71 N 0.59 0.33 -0.64 1.82 5.08 -1.71 -2.85 114.58 117.20 2hna h GLU 71 Ca 0.16 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2hna h GLU 71 Cb 0.08 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2hna h GLU 71 CO -0.02 0.44 0.42 0.00 -1.00 0.00 0.00 179.01 178.85 2hna h ALA 72 N 0.87 1.64 0.86 3.43 0.00 -0.66 -0.90 119.26 124.49 2hna h ALA 72 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2hna h ALA 72 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hna h ALA 72 CO -0.00 0.30 -0.48 -0.07 0.00 0.00 0.00 179.25 179.00 2hna h LEU 73 N 0.77 -1.17 -1.11 0.00 3.38 -0.75 -2.99 115.31 113.44 2hna h LEU 73 Ca 0.25 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2hna h LEU 73 Cb 0.05 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2hna h LEU 73 CO -0.07 -0.76 0.00 1.56 0.09 0.00 0.00 178.44 179.26 2hna h GLN 74 N -1.23 0.00 -0.09 1.13 4.20 -1.26 0.13 115.11 117.99 2hna h GLN 74 Ca -0.12 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 2hna h GLN 74 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2hna h GLN 74 CO 0.15 0.00 -0.49 1.49 -0.67 0.00 0.00 178.83 179.31 2hna h GLU 75 N 0.00 0.24 0.00 1.46 4.81 -1.02 -3.38 114.58 116.68 2hna h GLU 75 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2hna h GLU 75 Cb 0.38 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2hna h GLU 75 CO 0.00 0.68 -0.79 0.00 -0.73 0.00 0.00 179.01 178.17 2hna n GLN 76 N -3.96 3.03 -3.36 1.92 10.64 -1.04 -5.07 117.38 119.54 2hna n GLN 76 Ca -0.02 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.00 2hna n GLN 76 Cb 0.54 -0.89 0.00 0.00 -0.86 0.00 0.00 30.24 29.03 2hna n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hna n LYS 77 N -1.65 -0.69 -0.46 2.61 5.02 0.44 -4.93 118.16 118.50 2hna n LYS 77 Ca 0.00 0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 2hna n LYS 77 Cb 0.37 -0.85 0.27 0.00 -0.02 0.00 0.00 35.03 34.80 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -4.28 -1.84 -0.16 1.97 0.04 -1.26 -4.97 135.00 124.50 2hna s PRO 78 Ca 0.08 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 2hna s PRO 78 Cb -0.04 -1.47 -0.02 0.00 0.04 0.00 0.00 34.50 33.01 2hna s PRO 78 CO 0.42 -4.26 0.80 0.34 0.04 0.00 0.00 177.00 174.34 2hna s ASP 79 N -2.73 6.94 -0.05 6.66 2.15 -1.26 -4.62 116.67 123.76 2hna s ASP 79 Ca 0.69 1.15 0.08 0.00 0.43 0.00 0.00 52.55 54.90 2hna s ASP 79 Cb -0.21 -2.44 0.12 0.00 -0.30 0.00 0.00 42.92 40.09 2hna s ASP 79 CO 0.62 -0.35 1.03 0.18 -0.17 0.00 0.00 175.17 176.48 2hna n LEU 80 N 5.03 1.91 0.00 -1.34 7.99 -0.81 -4.80 117.00 124.97 2hna n LEU 80 Ca 0.03 -2.26 0.07 0.00 -0.01 0.00 0.00 56.01 53.84 2hna n LEU 80 Cb 0.49 -0.17 0.37 0.00 -0.11 0.00 0.00 43.42 44.00 2hna n LEU 80 CO 0.48 0.54 0.67 -1.54 -1.51 0.00 0.00 177.39 176.02 2hna n SER 81 N -0.82 0.00 -1.08 -1.43 3.41 -1.25 -1.22 113.62 111.23 2hna n SER 81 Ca 0.06 -0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 2hna n SER 81 Cb 0.45 -0.19 0.19 0.00 -0.26 0.00 0.00 64.21 64.40 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hna n ALA 82 N -1.19 2.41 -2.38 7.33 0.00 -1.26 -4.95 120.51 120.46 2hna n ALA 82 Ca 0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 53.44 52.40 2hna n ALA 82 Cb 0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.62 2hna n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hna s VAL 83 N -1.47 1.22 0.10 0.00 0.11 -0.36 -3.70 120.40 116.30 2hna s VAL 83 Ca 0.36 -1.88 0.07 0.00 -2.93 0.00 0.00 61.98 57.60 2hna s VAL 83 Cb 0.21 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 2hna s VAL 83 CO 0.30 -0.59 -0.11 0.00 -3.33 0.00 0.00 175.10 171.36 2hna s ARG 84 N -3.20 2.10 0.25 1.54 1.70 -1.23 -3.05 118.95 117.06 2hna s ARG 84 Ca 0.12 -1.03 0.05 0.00 -0.47 0.00 0.00 55.73 54.41 2hna s ARG 84 Cb -0.01 -2.29 -0.05 0.00 -0.57 0.00 0.00 34.95 32.03 2hna s ARG 84 CO 0.02 0.51 -0.04 -0.59 -1.08 0.00 0.00 175.30 174.12 2hna s PHE 85 N -1.18 1.77 0.05 5.89 -0.71 -0.34 -1.26 117.98 122.20 2hna s PHE 85 Ca 0.20 -0.78 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 2hna s PHE 85 Cb -0.11 -1.01 -0.03 0.00 -1.21 0.00 0.00 43.02 40.66 2hna s PHE 85 CO 0.13 0.15 -0.06 0.20 -1.34 0.00 0.00 175.22 174.30 2hna s GLY 86 N -3.38 0.52 -0.06 1.99 0.00 -1.04 -2.39 107.32 102.97 2hna s GLY 86 Ca 0.28 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.12 2hna s GLY 86 CO 0.10 -1.01 -0.21 0.00 0.00 0.00 0.00 173.10 171.98 2hna s ALA 87 N -2.27 2.36 -0.02 3.20 0.00 -1.26 -0.90 121.76 122.88 2hna s ALA 87 Ca -0.03 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2hna s ALA 87 Cb -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2hna s ALA 87 CO -0.02 0.45 -0.04 0.42 0.00 0.00 0.00 175.76 176.57 2hna s ILE 88 N -0.32 0.36 0.00 0.00 1.01 0.14 -0.77 121.20 121.62 2hna s ILE 88 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2hna s ILE 88 Cb -0.13 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2hna s ILE 88 CO 0.02 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2hna n GLY 89 N 3.46 2.21 3.59 6.18 0.00 0.23 -2.10 105.19 118.76 2hna n GLY 89 Ca -0.19 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.31 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N -0.49 0.01 0.49 -0.61 5.41 -0.73 -4.33 119.36 119.11 2hna n ILE 90 Ca 0.00 -0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 2hna n ILE 90 Cb 0.00 -0.83 0.27 0.00 -0.71 0.00 0.00 39.64 38.36 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hna n GLY 91 N 2.53 1.32 0.13 7.39 0.00 -1.26 -4.27 105.19 111.04 2hna n GLY 91 Ca 0.18 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.67 2hna n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 92 N 1.04 0.39 -0.22 1.61 7.64 -1.26 -4.21 113.62 118.62 2hna n SER 92 Ca 0.18 -1.68 0.02 0.00 1.01 0.00 0.00 58.87 58.40 2hna n SER 92 Cb 0.47 -0.03 0.13 0.00 -1.01 0.00 0.00 64.21 63.77 2hna n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2hna h ARG 93 N 0.48 0.31 0.00 1.43 2.43 -1.95 -3.41 114.38 113.67 2hna h ARG 93 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2hna h ARG 93 Cb 0.11 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2hna h ARG 93 CO 0.00 0.20 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 2hna n GLU 94 N -5.09 0.00 -0.09 0.20 1.02 -1.26 -4.96 120.64 110.46 2hna n GLU 94 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2hna n GLU 94 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 2hna n GLU 94 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2hna n TYR 95 N -1.01 0.00 -0.17 -0.32 0.18 -1.26 -4.86 117.16 109.72 2hna n TYR 95 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2hna n TYR 95 Cb 0.00 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2hna n ASP 96 N 0.00 4.65 -4.76 9.48 2.03 -1.26 -4.94 116.55 121.74 2hna n ASP 96 Ca 0.00 -2.26 -0.31 0.00 0.52 0.00 0.00 54.79 52.74 2hna n ASP 96 Cb 0.53 -0.95 0.10 0.00 -0.72 0.00 0.00 41.12 40.08 2hna n ASP 96 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2hna s THR 97 N 0.07 3.23 0.18 5.18 -4.23 -1.26 -4.79 115.64 114.03 2hna s THR 97 Ca 0.00 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.87 2hna s THR 97 Cb 0.00 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.01 2hna s THR 97 CO 0.00 -0.52 0.32 0.33 -0.54 0.00 0.00 174.62 174.21 2hna n PHE 98 N -3.58 -1.32 -1.82 3.99 7.35 -1.26 -5.05 117.46 115.76 2hna n PHE 98 Ca 0.09 -1.03 -0.24 0.00 -0.76 0.00 0.00 57.45 55.51 2hna n PHE 98 Cb 0.53 0.37 -0.08 0.00 0.35 0.00 0.00 39.48 40.64 2hna n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hna n GLY 100 N 5.83 3.25 0.23 0.00 0.00 -1.26 -3.76 105.19 109.48 2hna n GLY 100 Ca 0.44 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna h ALA 101 N 2.00 1.66 -6.97 4.61 0.00 -0.86 -3.39 119.26 116.31 2hna h ALA 101 Ca 0.00 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 2hna h ALA 101 Cb 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.54 2hna h ALA 101 CO 0.00 0.26 -0.94 0.44 0.00 0.00 0.00 179.25 179.01 2hna n ILE 102 N -4.32 -1.26 0.00 0.00 -5.35 -1.26 -0.93 119.36 106.23 2hna n ILE 102 Ca -0.02 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2hna n ILE 102 Cb 0.24 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.85 2hna n ILE 102 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2hna n ASP 103 N -2.84 0.00 -0.06 7.28 2.03 -1.26 -4.90 116.55 116.80 2hna n ASP 103 Ca -0.24 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.08 2hna n ASP 103 Cb 0.65 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.38 2hna n ASP 103 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2hna h LYS 104 N 1.44 0.67 0.45 -0.67 1.57 -1.42 -0.42 116.57 118.19 2hna h LYS 104 Ca 0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2hna h LYS 104 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2hna h LYS 104 CO 0.00 0.51 -0.22 1.25 -0.57 0.00 0.00 179.45 180.42 2hna h LEU 105 N 0.68 -0.52 -0.86 2.94 7.12 -1.91 -0.52 115.31 122.24 2hna h LEU 105 Ca 0.17 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 2hna h LEU 105 Cb 0.05 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 2hna h LEU 105 CO -0.03 -0.32 0.42 -0.33 -0.13 0.00 0.00 178.44 178.05 2hna h GLU 106 N -0.67 1.23 -0.31 1.25 5.08 -1.87 -2.85 114.58 116.44 2hna h GLU 106 Ca -0.06 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2hna h GLU 106 Cb 0.50 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2hna h GLU 106 CO 0.10 0.93 0.20 0.00 -1.00 0.00 0.00 179.01 179.25 2hna h ALA 107 N 1.23 0.39 -0.32 3.43 0.00 -0.86 -1.61 119.26 121.52 2hna h ALA 107 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2hna h ALA 107 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2hna h ALA 107 CO -0.04 -0.13 -0.03 0.93 0.00 0.00 0.00 179.25 179.97 2hna h GLU 108 N 0.41 0.50 -0.38 0.00 4.39 -0.90 0.51 114.58 119.11 2hna h GLU 108 Ca 0.11 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2hna h GLU 108 Cb -0.04 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2hna h GLU 108 CO -0.02 0.55 0.00 -0.07 -1.16 0.00 0.00 179.01 178.32 2hna h LEU 109 N 0.48 0.65 -0.90 1.33 3.38 -1.22 0.26 115.31 119.30 2hna h LEU 109 Ca 0.10 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2hna h LEU 109 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2hna h LEU 109 CO 0.01 0.80 0.03 0.11 0.09 0.00 0.00 178.44 179.48 2hna h LYS 110 N 0.49 0.84 -0.29 1.13 1.57 -0.82 -1.71 116.57 117.79 2hna h LYS 110 Ca 0.11 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2hna h LYS 110 Cb 0.46 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2hna h LYS 110 CO 0.02 0.82 -0.22 -0.97 -0.57 0.00 0.00 179.45 178.53 2hna h ASN 111 N 0.79 0.54 0.79 0.86 -1.24 -0.75 -2.78 115.58 113.79 2hna h ASN 111 Ca 0.16 -0.18 -0.09 0.00 0.71 0.00 0.00 56.30 56.89 2hna h ASN 111 Cb 0.43 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2hna h ASN 111 CO 0.02 0.76 -0.45 0.28 -1.29 0.00 0.00 177.43 176.75 2hna h SER 112 N 0.48 0.00 0.00 1.15 0.02 -0.23 -3.48 113.55 111.49 2hna h SER 112 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2hna h SER 112 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2hna h SER 112 CO 0.05 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 2hna n GLY 113 N 0.26 1.19 3.75 -3.77 0.00 -0.71 -1.92 105.19 103.98 2hna n GLY 113 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2hna n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 114 N -0.06 3.59 0.05 4.61 0.00 -1.10 -3.79 121.76 125.07 2hna s ALA 114 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 2hna s ALA 114 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2hna s ALA 114 CO 0.00 -0.70 0.94 -1.59 0.00 0.00 0.00 175.76 174.41 2hna s LYS 115 N -0.52 4.61 -0.71 0.00 -2.85 -1.17 -4.06 119.74 115.04 2hna s LYS 115 Ca 0.57 1.37 -0.27 0.00 -1.00 0.00 0.00 55.97 56.65 2hna s LYS 115 Cb -0.41 -3.41 0.02 0.00 -2.06 0.00 0.00 37.83 31.97 2hna s LYS 115 CO 0.44 0.11 1.40 -1.14 0.10 0.00 0.00 175.35 176.26 2hna s GLN 116 N 0.42 3.07 0.57 1.78 0.74 -1.26 -1.20 119.66 123.78 2hna s GLN 116 Ca 0.48 -0.06 -0.17 0.00 0.05 0.00 0.00 55.36 55.65 2hna s GLN 116 Cb -0.22 -4.22 -0.05 0.00 1.10 0.00 0.00 33.01 29.62 2hna s GLN 116 CO 0.28 -2.27 1.06 0.99 -0.55 0.00 0.00 175.29 174.80 2hna s THR 117 N 6.44 3.73 0.00 -0.34 2.01 -1.01 -4.76 115.64 121.71 2hna s THR 117 Ca 0.42 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2hna s THR 117 Cb -0.09 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2hna s THR 117 CO 0.16 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2hna n GLY 118 N -0.70 3.76 3.76 4.40 0.00 -1.26 -4.78 105.19 110.37 2hna n GLY 118 Ca 0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2hna n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hna s GLU 119 N 0.00 1.96 0.09 1.61 -1.05 -1.26 -5.13 118.70 114.92 2hna s GLU 119 Ca 0.00 -1.31 -0.34 0.00 -0.15 0.00 0.00 54.97 53.17 2hna s GLU 119 Cb 0.00 0.58 -0.14 0.00 -0.44 0.00 0.00 34.13 34.13 2hna s GLU 119 CO 0.00 -0.89 1.61 2.41 0.95 0.00 0.00 175.26 179.34 2hna n THR 120 N -0.49 0.12 -3.88 1.83 -1.04 -1.26 -4.72 114.28 104.83 2hna n THR 120 Ca -0.05 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.68 2hna n THR 120 Cb 0.60 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 2hna n THR 120 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2hna s LEU 121 N 1.54 4.31 0.10 -4.42 0.20 0.05 -4.99 118.68 115.46 2hna s LEU 121 Ca 0.83 0.22 0.10 0.00 0.69 0.00 0.00 54.13 55.96 2hna s LEU 121 Cb -0.72 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2hna s LEU 121 CO 0.42 0.02 -0.26 -0.54 -0.29 0.00 0.00 176.35 175.70 2hna s LYS 122 N -3.32 1.51 0.17 1.98 3.01 -1.26 -0.60 119.74 121.22 2hna s LYS 122 Ca 0.35 -1.23 -0.01 0.00 -1.01 0.00 0.00 55.97 54.07 2hna s LYS 122 Cb -0.11 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.81 2hna s LYS 122 CO 0.29 0.46 0.09 0.96 0.51 0.00 0.00 175.35 177.65 2hna s ILE 123 N -0.97 0.09 -0.10 2.17 -5.25 -0.96 -3.54 121.20 112.64 2hna s ILE 123 Ca 0.12 -1.95 -0.15 0.00 -0.99 0.00 0.00 60.65 57.68 2hna s ILE 123 Cb -0.10 -2.26 0.03 0.00 2.95 0.00 0.00 42.46 43.08 2hna s ILE 123 CO 0.04 -0.25 0.38 0.21 -1.79 0.00 0.00 174.94 173.53 2hna s ASN 124 N -3.11 -0.35 1.01 4.36 3.04 -1.26 -4.34 114.94 114.29 2hna s ASN 124 Ca 0.31 0.57 -0.02 0.00 0.04 0.00 0.00 52.86 53.76 2hna s ASN 124 Cb 0.07 0.64 0.03 0.00 -1.54 0.00 0.00 41.25 40.45 2hna s ASN 124 CO 0.07 -0.25 0.13 2.30 -3.04 0.00 0.00 177.10 176.31 2hna n ILE 125 N 2.30 0.00 0.32 -5.21 -5.35 -1.26 -4.90 119.36 105.26 2hna n ILE 125 Ca -0.16 -0.09 0.02 0.00 -0.27 0.00 0.00 62.75 62.26 2hna n ILE 125 Cb 0.57 -1.65 0.14 0.00 -1.74 0.00 0.00 39.64 36.96 2hna n ILE 125 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2hna n LEU 126 N 0.00 0.00 -3.83 7.28 -0.00 -1.26 -4.62 117.00 114.56 2hna n LEU 126 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.94 2hna n LEU 126 Cb 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.41 2hna n LEU 126 CO 0.04 0.00 -0.06 -0.62 -0.00 0.00 0.00 177.39 176.75 2hna s ASP 127 N -1.98 0.07 0.33 1.45 2.15 -1.26 -5.14 116.67 112.28 2hna s ASP 127 Ca 0.07 -0.62 -0.29 0.00 0.43 0.00 0.00 52.55 52.14 2hna s ASP 127 Cb 0.03 0.36 -0.12 0.00 -0.30 0.00 0.00 42.92 42.89 2hna s ASP 127 CO 0.05 -0.75 1.37 0.00 -0.17 0.00 0.00 175.17 175.67 2hna n HIS 128 N -0.09 2.43 -3.92 -5.34 1.44 -1.26 -4.99 115.22 103.50 2hna n HIS 128 Ca -0.15 0.49 -0.09 0.00 -2.01 0.00 0.00 57.72 55.96 2hna n HIS 128 Cb 0.63 -2.46 -0.05 0.00 0.12 0.00 0.00 29.99 28.23 2hna n HIS 128 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2hna s ASP 129 N -0.10 -0.13 0.00 4.39 1.47 -1.26 -4.97 116.67 116.07 2hna s ASP 129 Ca 0.58 -0.78 0.00 0.00 1.18 0.00 0.00 52.55 53.52 2hna s ASP 129 Cb -0.56 0.57 0.00 0.00 -0.34 0.00 0.00 42.92 42.59 2hna s ASP 129 CO 0.59 -1.10 0.00 -0.38 0.68 0.00 0.00 175.17 174.96 2hna n ILE 130 N -0.35 0.00 0.11 2.11 2.08 -1.26 -0.78 119.36 121.27 2hna n ILE 130 Ca -0.05 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.23 2hna n ILE 130 Cb 0.62 0.00 0.09 0.00 -0.75 0.00 0.00 39.64 39.60 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2hna h PRO 131 N 0.00 0.03 -5.15 0.38 0.13 -1.92 -3.47 132.00 121.99 2hna h PRO 131 Ca 0.00 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.76 2hna h PRO 131 Cb 0.00 0.01 0.12 0.00 0.13 0.00 0.00 31.00 31.26 2hna h PRO 131 CO 0.00 0.74 -0.59 -1.91 -0.23 0.00 0.00 178.00 176.01 2hna n GLU 132 N -3.70 -6.79 -3.40 0.86 2.13 0.04 -5.01 120.64 104.78 2hna n GLU 132 Ca -0.01 0.71 -0.16 0.00 0.66 0.00 0.00 57.16 58.36 2hna n GLU 132 Cb 0.70 -5.40 -0.09 0.00 0.27 0.00 0.00 31.44 26.92 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hna s ASP 133 N -3.33 1.48 0.37 4.31 2.15 -1.26 -5.02 116.67 115.37 2hna s ASP 133 Ca 0.48 -0.65 0.25 0.00 0.43 0.00 0.00 52.55 53.06 2hna s ASP 133 Cb -0.21 0.58 1.36 0.00 -0.30 0.00 0.00 42.92 44.35 2hna s ASP 133 CO 0.62 -0.38 1.77 -0.65 -0.17 0.00 0.00 175.17 176.36 2hna h PRO 134 N 8.25 0.00 -6.75 4.34 0.11 -1.79 -2.55 132.00 133.60 2hna h PRO 134 Ca -0.13 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.46 2hna h PRO 134 Cb 1.09 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 2hna h PRO 134 CO 0.32 0.00 -0.81 0.00 -0.21 0.00 0.00 178.00 177.30 2hna n ALA 135 N -1.82 -1.85 0.18 -0.75 0.00 -1.23 -4.48 120.51 110.55 2hna n ALA 135 Ca -0.02 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 135 Cb 0.04 -0.69 0.72 0.00 0.00 0.00 0.00 19.45 19.52 2hna n ALA 135 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hna h GLU 136 N -1.34 0.00 -0.38 0.00 4.11 -1.91 -1.30 114.58 113.76 2hna h GLU 136 Ca -0.55 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.77 2hna h GLU 136 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2hna h GLU 136 CO 0.59 0.00 -0.18 0.93 0.07 0.00 0.00 179.01 180.42 2hna h GLU 137 N 0.00 0.73 -0.39 1.06 5.08 -1.99 -0.50 114.58 118.57 2hna h GLU 137 Ca 0.09 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2hna h GLU 137 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2hna h GLU 137 CO -0.00 0.86 0.13 -1.49 -1.00 0.00 0.00 179.01 177.51 2hna h TRP 138 N 0.64 0.62 0.16 4.33 -0.00 -1.62 -1.20 115.95 118.88 2hna h TRP 138 Ca 0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.92 2hna h TRP 138 Cb 0.67 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 2hna h TRP 138 CO 0.03 0.58 -0.07 1.25 -0.00 0.00 0.00 178.44 180.23 2hna h LEU 139 N 0.49 -0.18 -0.79 -4.49 5.85 -1.18 -0.27 115.31 114.74 2hna h LEU 139 Ca 0.13 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2hna h LEU 139 Cb 0.25 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2hna h LEU 139 CO -0.01 -0.07 0.52 1.23 -0.34 0.00 0.00 178.44 179.77 2hna h GLY 140 N -0.27 1.12 0.73 3.75 0.00 -1.07 0.22 103.07 107.55 2hna h GLY 140 Ca -0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2hna h GLY 140 CO 0.04 0.41 -0.42 1.76 0.00 0.00 0.00 176.54 178.33 2hna h SER 141 N 1.07 -1.04 -0.54 0.19 0.02 -1.08 -1.95 113.55 110.23 2hna h SER 141 Ca 0.29 0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 2hna h SER 141 Cb -0.12 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 2hna h SER 141 CO -0.06 -0.66 0.22 -0.25 -1.14 0.00 0.00 176.83 174.93 2hna h TRP 142 N -1.07 0.38 0.47 3.45 7.01 -0.79 -0.11 115.95 125.29 2hna h TRP 142 Ca -0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 2hna h TRP 142 Cb 0.84 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2hna h TRP 142 CO -0.04 0.13 -0.23 0.28 -2.79 0.00 0.00 178.44 175.79 2hna h VAL 143 N 0.41 0.54 0.00 2.65 2.07 -0.98 -0.09 116.25 120.85 2hna h VAL 143 Ca 0.26 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2hna h VAL 143 Cb 0.27 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2hna h VAL 143 CO -0.25 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 176.79 2hna h ASN 144 N -0.63 0.00 0.15 0.57 7.08 -0.93 -1.38 115.58 120.44 2hna h ASN 144 Ca -0.06 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 52.95 2hna h ASN 144 Cb 0.49 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.75 2hna h ASN 144 CO 0.11 0.00 -0.93 -0.07 -2.08 0.00 0.00 177.43 174.46 2hna h LEU 145 N 0.00 0.48 -0.55 6.14 4.07 -0.77 -3.36 115.31 121.33 2hna h LEU 145 Ca 0.00 -0.94 -0.15 0.00 0.08 0.00 0.00 57.88 56.87 2hna h LEU 145 Cb 0.51 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2hna h LEU 145 CO 0.00 1.44 -0.45 0.17 -1.08 0.00 0.00 178.44 178.52 2hna h LEU 146 N -0.33 0.71 0.00 1.67 8.10 -0.77 -3.51 115.31 121.18 2hna h LEU 146 Ca -0.17 -0.34 0.00 0.00 0.11 0.00 0.00 57.88 57.48 2hna h LEU 146 Cb 1.69 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.71 2hna h LEU 146 CO 0.15 1.06 0.00 0.29 -4.11 0.00 0.00 178.44 175.83