#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 -0.76 -0.09 -5.12 0.00 -1.26 -4.61 121.76 109.91 2hna s ALA 2 Ca 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 51.96 51.84 2hna s ALA 2 Cb 0.00 0.84 -0.28 0.00 0.00 0.00 0.00 23.12 23.68 2hna s ALA 2 CO 0.00 -0.76 0.45 -3.47 0.00 0.00 0.00 175.76 171.98 2hna n ASP 3 N -0.30 0.13 -3.91 0.00 2.03 0.35 -4.90 116.55 109.94 2hna n ASP 3 Ca -0.10 0.05 -0.23 0.00 0.52 0.00 0.00 54.79 55.03 2hna n ASP 3 Cb 0.63 1.50 -0.17 0.00 -0.72 0.00 0.00 41.12 42.36 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 -3.22 0.78 -0.14 5.18 1.01 -0.92 -3.01 121.20 120.89 2hna s ILE 4 Ca -0.08 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2hna s ILE 4 Cb 0.11 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2hna s ILE 4 CO 0.87 0.30 0.52 0.28 0.00 0.00 0.00 174.94 176.91 2hna s THR 5 N 1.17 5.14 -0.52 2.92 -1.32 -1.11 -0.75 115.64 121.18 2hna s THR 5 Ca -0.06 1.03 -0.18 0.00 -1.21 0.00 0.00 61.69 61.27 2hna s THR 5 Cb -0.14 -3.86 0.07 0.00 -1.51 0.00 0.00 72.50 67.07 2hna s THR 5 CO -0.02 0.27 0.59 -0.76 -2.21 0.00 0.00 174.62 172.50 2hna s LEU 6 N 0.95 5.25 -0.95 9.08 2.01 -0.50 -1.61 118.68 132.91 2hna s LEU 6 Ca 0.27 -1.15 -0.14 0.00 0.01 0.00 0.00 54.13 53.12 2hna s LEU 6 Cb -0.16 -2.35 0.21 0.00 0.01 0.00 0.00 46.19 43.90 2hna s LEU 6 CO 0.11 -0.89 1.00 -0.63 1.01 0.00 0.00 176.35 176.95 2hna s ILE 7 N 2.40 5.43 0.24 -0.59 1.01 0.28 -3.23 121.20 126.73 2hna s ILE 7 Ca 0.11 -2.49 0.07 0.00 0.00 0.00 0.00 60.65 58.34 2hna s ILE 7 Cb -0.22 -4.62 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 2hna s ILE 7 CO 0.09 -1.24 0.18 -0.44 0.00 0.00 0.00 174.94 173.53 2hna s SER 8 N 2.39 5.49 0.00 3.58 0.01 -1.21 -1.00 113.70 122.97 2hna s SER 8 Ca 0.27 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2hna s SER 8 Cb -0.08 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2hna s SER 8 CO -0.08 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2hna n GLY 9 N -1.03 -0.48 0.31 3.44 0.00 -0.70 -3.23 105.19 103.49 2hna n GLY 9 Ca -0.08 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.12 -1.72 1.61 0.02 -1.84 -0.37 113.55 111.12 2hna h SER 10 Ca 0.00 0.22 -0.52 0.00 -0.84 0.00 0.00 61.79 60.65 2hna h SER 10 Cb 0.04 0.32 -0.41 0.00 0.14 0.00 0.00 62.40 62.49 2hna h SER 10 CO 0.00 -0.22 -0.89 0.41 -1.14 0.00 0.00 176.83 174.99 2hna n THR 11 N -5.30 1.82 -3.49 -2.27 -1.04 -1.26 -3.30 114.28 99.44 2hna n THR 11 Ca 0.22 -4.67 -0.26 0.00 -2.04 0.00 0.00 64.05 57.31 2hna n THR 11 Cb 0.71 -0.72 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2hna n THR 11 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hna n LEU 12 N -0.19 -2.13 -0.04 -4.42 4.77 -0.15 -4.88 117.00 109.96 2hna n LEU 12 Ca 0.28 -0.50 0.09 0.00 -0.03 0.00 0.00 56.01 55.84 2hna n LEU 12 Cb 0.62 -2.45 0.51 0.00 -2.33 0.00 0.00 43.42 39.77 2hna n LEU 12 CO 0.30 0.28 0.83 0.61 -1.33 0.00 0.00 177.39 178.08 2hna n GLY 13 N -1.43 -0.90 5.48 -0.72 0.00 -1.23 -4.97 105.19 101.43 2hna n GLY 13 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.80 2.39 1.99 -0.02 0.00 -1.26 -4.81 105.19 104.29 2hna n GLY 14 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.14 0.24 4.61 0.00 -1.26 -2.85 120.51 121.11 2hna n ALA 15 Ca 0.00 0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2hna n ALA 15 Cb 0.00 -1.14 0.60 0.00 0.00 0.00 0.00 19.45 18.90 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 0.00 0.00 -0.24 0.00 5.08 -1.87 -2.09 114.58 115.46 2hna h GLU 16 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2hna h GLU 16 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2hna h GLU 16 CO 0.27 0.19 0.16 -0.92 -1.00 0.00 0.00 179.01 177.71 2hna h TYR 17 N 0.00 0.30 -0.18 4.33 5.03 -1.98 1.00 116.97 125.46 2hna h TYR 17 Ca -0.00 0.01 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 2hna h TYR 17 Cb 0.46 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.65 2hna h TYR 17 CO 0.00 0.19 -0.69 0.28 -1.32 0.00 0.00 178.16 176.62 2hna h VAL 18 N 0.32 1.30 -0.57 1.81 2.07 -1.79 -2.79 116.25 116.60 2hna h VAL 18 Ca 0.09 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 2hna h VAL 18 Cb -0.04 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2hna h VAL 18 CO -0.02 0.61 0.28 0.00 0.02 0.00 0.00 177.57 178.46 2hna h ALA 19 N 0.69 1.42 -0.38 1.67 0.00 -1.14 -0.51 119.26 121.02 2hna h ALA 19 Ca -0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2hna h ALA 19 Cb 1.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2hna h ALA 19 CO 0.14 0.46 -0.35 1.49 0.00 0.00 0.00 179.25 180.99 2hna h GLU 20 N 0.80 0.91 -0.20 0.00 4.81 -0.72 0.64 114.58 120.82 2hna h GLU 20 Ca 0.20 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2hna h GLU 20 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2hna h GLU 20 CO -0.03 1.12 0.09 0.45 -0.73 0.00 0.00 179.01 179.92 2hna h HIS 21 N 0.73 0.29 -0.05 0.92 3.86 -1.17 -0.62 115.15 119.09 2hna h HIS 21 Ca 0.07 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2hna h HIS 21 Cb 0.94 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2hna h HIS 21 CO 0.06 0.30 -0.12 -0.07 0.86 0.00 0.00 177.93 178.96 2hna h LEU 22 N 0.19 -0.37 -0.93 2.43 3.38 -1.05 -2.30 115.31 116.65 2hna h LEU 22 Ca 0.07 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2hna h LEU 22 Cb 0.13 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 2hna h LEU 22 CO -0.01 -0.17 0.55 0.00 0.09 0.00 0.00 178.44 178.90 2hna h ALA 23 N 0.83 1.42 -0.30 1.53 0.00 -0.69 -1.58 119.26 120.47 2hna h ALA 23 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2hna h ALA 23 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2hna h ALA 23 CO -0.16 0.08 0.13 1.49 0.00 0.00 0.00 179.25 180.79 2hna h GLU 24 N 0.83 0.27 -0.62 0.00 4.81 -0.55 0.12 114.58 119.44 2hna h GLU 24 Ca 0.49 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 2hna h GLU 24 Cb 0.57 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2hna h GLU 24 CO -0.30 0.18 0.36 0.87 -0.73 0.00 0.00 179.01 179.38 2hna h LYS 25 N 0.28 0.68 -0.18 1.92 1.79 -1.07 -2.11 116.57 117.86 2hna h LYS 25 Ca 0.13 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 2hna h LYS 25 Cb 0.07 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2hna h LYS 25 CO -0.11 0.45 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.42 2hna h LEU 26 N 0.70 0.32 -0.26 2.94 -0.00 -0.59 -1.24 115.31 117.18 2hna h LEU 26 Ca 0.26 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2hna h LEU 26 Cb 0.07 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2hna h LEU 26 CO -0.13 0.56 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.52 2hna h GLU 27 N 0.30 0.48 0.00 1.13 5.08 -0.24 -2.40 114.58 118.93 2hna h GLU 27 Ca 0.05 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2hna h GLU 27 Cb 0.56 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2hna h GLU 27 CO 0.04 0.66 0.00 1.05 -1.00 0.00 0.00 179.01 179.76 2hna h GLU 28 N 0.25 0.00 0.00 2.33 4.11 -1.26 -1.69 114.58 118.32 2hna h GLU 28 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2hna h GLU 28 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2hna h GLU 28 CO 0.02 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.10 2hna h ALA 29 N 2.15 1.00 0.00 1.06 0.00 -0.72 -3.47 119.26 119.28 2hna h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hna h ALA 29 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hna h ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2hna n GLY 30 N 0.27 1.70 3.45 0.00 0.00 -0.63 -5.08 105.19 104.90 2hna n GLY 30 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2hna n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hna s PHE 31 N -2.00 1.88 0.16 1.61 0.08 -1.15 -5.06 117.98 113.49 2hna s PHE 31 Ca 0.00 -1.05 0.05 0.00 0.12 0.00 0.00 56.93 56.05 2hna s PHE 31 Cb 0.00 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2hna s PHE 31 CO 0.00 -0.09 0.13 0.95 -0.10 0.00 0.00 175.22 176.11 2hna s THR 32 N -3.32 4.48 0.04 0.64 -4.23 -1.26 -4.12 115.64 107.87 2hna s THR 32 Ca 0.33 -1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2hna s THR 32 Cb 0.07 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 2hna s THR 32 CO 0.15 -0.09 0.02 0.42 -0.54 0.00 0.00 174.62 174.58 2hna s THR 33 N -1.72 0.15 -0.47 3.99 -4.23 -1.26 -0.50 115.64 111.60 2hna s THR 33 Ca 0.31 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 2hna s THR 33 Cb -0.10 -0.93 0.12 0.00 1.34 0.00 0.00 72.50 72.94 2hna s THR 33 CO 0.23 -0.70 0.22 -0.70 -0.54 0.00 0.00 174.62 173.13 2hna s GLU 34 N -2.73 1.91 -0.08 3.99 2.56 0.07 -4.76 118.70 119.66 2hna s GLU 34 Ca -0.04 -2.36 -0.30 0.00 0.00 0.00 0.00 54.97 52.28 2hna s GLU 34 Cb -0.01 -3.35 -0.04 0.00 2.00 0.00 0.00 34.13 32.73 2hna s GLU 34 CO -0.05 -1.07 1.47 0.99 -0.56 0.00 0.00 175.26 176.04 2hna s THR 35 N 0.16 3.85 0.24 -1.70 2.01 -1.26 -1.41 115.64 117.52 2hna s THR 35 Ca 0.15 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 2hna s THR 35 Cb -0.23 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2hna s THR 35 CO -0.03 -0.08 0.38 -0.76 -0.69 0.00 0.00 174.62 173.45 2hna s LEU 36 N 3.55 0.56 -0.44 4.42 1.43 -1.20 -4.98 118.68 122.01 2hna s LEU 36 Ca 0.65 -1.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2hna s LEU 36 Cb -0.29 1.38 0.47 0.00 0.03 0.00 0.00 46.19 47.79 2hna s LEU 36 CO 0.24 -1.06 1.60 0.00 0.23 0.00 0.00 176.35 177.35 2hna n HIS 37 N -0.35 2.66 -4.01 0.29 1.44 -1.26 -3.32 115.22 110.67 2hna n HIS 37 Ca -0.01 -2.41 -0.27 0.00 -2.01 0.00 0.00 57.72 53.02 2hna n HIS 37 Cb 0.63 -0.82 -0.03 0.00 0.12 0.00 0.00 29.99 29.89 2hna n HIS 37 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hna n GLY 38 N -0.88 -0.24 0.31 -1.39 0.00 -1.20 -4.68 105.19 97.11 2hna n GLY 38 Ca 0.50 0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.80 0.00 0.00 1.61 0.13 -1.93 -1.37 132.00 128.65 2hna h PRO 39 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2hna h PRO 39 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2hna h PRO 39 CO 0.65 0.01 -0.02 1.28 -0.23 0.00 0.00 178.00 179.68 2hna n LEU 40 N -3.15 1.80 0.00 1.56 4.77 -1.26 -4.99 117.00 115.73 2hna n LEU 40 Ca -0.02 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2hna n LEU 40 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2hna n LEU 40 CO 0.23 0.50 0.00 -0.11 -1.33 0.00 0.00 177.39 176.68 2hna n LEU 41 N -0.69 0.00 -3.12 2.23 0.00 -0.52 -4.62 117.00 110.28 2hna n LEU 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.06 2hna n LEU 41 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.82 2hna n LEU 41 CO 0.00 0.00 0.10 -1.83 0.00 0.00 0.00 177.39 175.67 2hna s GLU 42 N 0.00 0.85 0.12 1.96 -1.05 -1.26 -4.94 118.70 114.38 2hna s GLU 42 Ca 0.00 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.28 2hna s GLU 42 Cb 0.00 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2hna s GLU 42 CO 0.00 -1.19 1.52 0.22 0.95 0.00 0.00 175.26 176.76 2hna h ASP 43 N 6.61 0.71 -3.98 0.83 3.58 -1.96 -3.43 116.42 118.80 2hna h ASP 43 Ca 0.05 -0.36 -0.48 0.00 0.42 0.00 0.00 57.03 56.66 2hna h ASP 43 Cb 1.17 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 42.03 2hna h ASP 43 CO 0.08 0.91 0.26 -0.76 -2.88 0.00 0.00 179.24 176.85 2hna s LEU 44 N -9.28 3.74 0.00 2.28 1.43 -1.26 -5.08 118.68 110.51 2hna s LEU 44 Ca -0.13 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 2hna s LEU 44 Cb 0.10 -4.30 0.18 0.00 0.03 0.00 0.00 46.19 42.20 2hna s LEU 44 CO 0.80 -0.48 0.59 -0.81 0.23 0.00 0.00 176.35 176.68 2hna n PRO 45 N -1.36 -2.55 -0.10 1.29 -0.04 -1.26 -4.86 135.00 126.13 2hna n PRO 45 Ca 0.05 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2hna n PRO 45 Cb 0.54 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -4.18 2.33 -3.60 0.55 0.00 -1.26 -4.62 120.51 109.73 2hna n ALA 46 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.33 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 2hna n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hna s SER 47 N 1.36 -0.75 0.00 0.00 0.01 -1.26 -4.17 113.70 108.88 2hna s SER 47 Ca 0.00 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2hna s SER 47 Cb 0.00 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.53 2hna s SER 47 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2hna n GLY 48 N 3.37 0.16 3.19 3.44 0.00 -1.13 -4.91 105.19 109.32 2hna n GLY 48 Ca -0.17 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.30 1.75 -0.08 -0.61 -1.09 -1.16 -2.77 121.20 115.94 2hna s ILE 49 Ca 0.00 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 57.58 2hna s ILE 49 Cb 0.00 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.37 2hna s ILE 49 CO 0.00 0.49 -0.23 0.26 -1.23 0.00 0.00 174.94 174.24 2hna s TRP 50 N 0.04 2.54 -0.03 3.97 0.52 -0.22 -2.73 118.94 123.02 2hna s TRP 50 Ca -0.06 -0.79 0.06 0.00 0.02 0.00 0.00 56.10 55.33 2hna s TRP 50 Cb -0.14 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2hna s TRP 50 CO 0.04 -0.26 -0.22 -0.51 0.02 0.00 0.00 176.95 176.02 2hna s LEU 51 N 0.02 2.02 -0.12 2.99 1.43 -0.64 -1.93 118.68 122.46 2hna s LEU 51 Ca -0.09 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2hna s LEU 51 Cb -0.15 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2hna s LEU 51 CO 0.05 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.99 2hna s VAL 52 N -0.32 1.83 -0.52 -1.59 1.01 -0.57 -0.55 120.40 119.70 2hna s VAL 52 Ca 0.03 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2hna s VAL 52 Cb -0.10 -1.63 0.28 0.00 0.00 0.00 0.00 36.38 34.92 2hna s VAL 52 CO 0.01 0.51 0.71 -0.38 0.00 0.00 0.00 175.10 175.94 2hna n ILE 53 N 4.01 1.17 -2.62 2.22 -0.00 -0.17 -0.64 119.36 123.33 2hna n ILE 53 Ca -0.20 -4.81 -0.12 0.00 -0.00 0.00 0.00 62.75 57.62 2hna n ILE 53 Cb 0.52 -1.70 0.03 0.00 -0.00 0.00 0.00 39.64 38.48 2hna n ILE 53 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2hna n SER 54 N 0.77 2.23 -2.43 4.38 7.64 -1.25 -1.72 113.62 123.24 2hna n SER 54 Ca 0.27 -2.87 -0.20 0.00 1.01 0.00 0.00 58.87 57.08 2hna n SER 54 Cb 0.48 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.23 -0.02 -0.29 6.43 7.64 -1.26 -4.71 113.62 121.19 2hna n SER 55 Ca 0.16 0.03 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 2hna n SER 55 Cb 0.79 -0.46 0.12 0.00 -1.01 0.00 0.00 64.21 63.66 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 4.22 1.04 -1.62 0.44 1.35 -1.89 -3.46 112.91 112.98 2hna h THR 56 Ca -0.02 -0.31 0.17 0.00 -0.55 0.00 0.00 66.41 65.69 2hna h THR 56 Cb 0.69 0.05 -0.05 0.00 -1.73 0.00 0.00 68.15 67.11 2hna h THR 56 CO 0.77 0.17 -0.29 0.00 -0.25 0.00 0.00 175.52 175.92 2hna n HIS 57 N -4.65 -1.58 -0.16 4.73 1.44 -1.26 -2.40 115.22 111.34 2hna n HIS 57 Ca 0.11 0.80 0.00 0.00 -2.01 0.00 0.00 57.72 56.62 2hna n HIS 57 Cb 0.16 -1.43 0.00 0.00 0.12 0.00 0.00 29.99 28.84 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hna n GLY 58 N -2.43 1.90 0.00 -1.39 0.00 -0.80 -2.73 105.19 99.74 2hna n GLY 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.44 0.53 -0.88 4.61 0.00 -1.26 -4.81 120.51 120.14 2hna n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hna n ALA 59 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.23 0.94 3.42 0.00 0.00 -1.01 -4.94 105.19 103.37 2hna n GLY 60 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.00 0.18 0.20 1.61 2.15 -0.43 -4.80 116.67 111.58 2hna s ASP 61 Ca 0.00 -1.20 -0.18 0.00 0.43 0.00 0.00 52.55 51.60 2hna s ASP 61 Cb 0.00 0.52 0.18 0.00 -0.30 0.00 0.00 42.92 43.32 2hna s ASP 61 CO 0.00 -1.04 1.60 0.40 -0.17 0.00 0.00 175.17 175.95 2hna h ILE 62 N 2.37 0.22 -0.22 4.11 2.04 -1.94 -1.90 117.51 122.19 2hna h ILE 62 Ca -0.30 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 2hna h ILE 62 Cb 1.25 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2hna h ILE 62 CO 0.42 0.00 -0.30 1.55 0.00 0.00 0.00 178.15 179.82 2hna h PRO 63 N -0.10 0.59 0.00 2.37 0.13 -1.99 -3.47 132.00 129.53 2hna h PRO 63 Ca 0.27 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2hna h PRO 63 Cb 0.54 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2hna h PRO 63 CO -0.70 0.95 0.00 -3.47 -0.23 0.00 0.00 178.00 174.55 2hna n ASP 64 N -4.32 -1.17 0.00 1.44 2.03 -0.71 -5.01 116.55 108.80 2hna n ASP 64 Ca -0.05 0.59 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2hna n ASP 64 Cb 0.48 1.43 0.00 0.00 -0.72 0.00 0.00 41.12 42.31 2hna n ASP 64 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hna n ASN 65 N -3.06 0.00 -4.77 1.67 2.85 -1.25 -1.32 115.26 109.38 2hna n ASN 65 Ca 0.00 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.10 2hna n ASN 65 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2hna s LEU 66 N 0.00 4.03 0.05 1.20 1.02 -1.26 -4.57 118.68 119.15 2hna s LEU 66 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 54.13 56.48 2hna s LEU 66 Cb 0.00 -4.22 0.00 0.00 0.02 0.00 0.00 46.19 41.99 2hna s LEU 66 CO 0.00 -0.91 0.00 -1.20 0.02 0.00 0.00 176.35 174.26 2hna n SER 67 N -0.44 0.43 -0.14 2.29 7.64 -1.21 -4.44 113.62 117.75 2hna n SER 67 Ca 0.07 0.08 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 2hna n SER 67 Cb 0.48 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 2hna n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2hna h PRO 68 N 0.00 0.87 -0.14 1.43 0.13 -1.95 -1.80 132.00 130.54 2hna h PRO 68 Ca 0.00 -0.38 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2hna h PRO 68 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 2hna h PRO 68 CO 0.00 1.02 0.08 0.74 -0.23 0.00 0.00 178.00 179.61 2hna h PHE 69 N 0.69 0.19 -0.04 1.56 -1.00 -1.89 -1.23 116.94 115.21 2hna h PHE 69 Ca 0.09 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2hna h PHE 69 Cb 0.75 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 2hna h PHE 69 CO 0.06 0.17 0.02 -0.92 -1.61 0.00 0.00 178.31 176.03 2hna h TYR 70 N 0.15 0.06 -0.54 -0.55 3.20 -1.71 0.92 116.97 118.49 2hna h TYR 70 Ca 0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2hna h TYR 70 Cb 0.04 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2hna h TYR 70 CO -0.05 0.14 0.27 0.93 -1.64 0.00 0.00 178.16 177.81 2hna h GLU 71 N -0.04 0.77 0.00 1.82 5.08 -1.31 -2.48 114.58 118.42 2hna h GLU 71 Ca 0.01 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2hna h GLU 71 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2hna h GLU 71 CO -0.00 0.63 -0.34 0.00 -1.00 0.00 0.00 179.01 178.30 2hna h ALA 72 N 1.11 1.40 0.69 3.43 0.00 -0.95 -1.04 119.26 123.90 2hna h ALA 72 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2hna h ALA 72 Cb 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2hna h ALA 72 CO -0.03 0.42 -0.33 -0.07 0.00 0.00 0.00 179.25 179.24 2hna h LEU 73 N 0.00 -0.78 -2.04 0.00 3.38 -0.46 -3.13 115.31 112.28 2hna h LEU 73 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2hna h LEU 73 Cb 0.61 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2hna h LEU 73 CO 0.04 -0.50 -0.09 1.56 0.09 0.00 0.00 178.44 179.54 2hna h GLN 74 N -1.02 0.00 -0.10 1.13 4.20 -1.14 0.21 115.11 118.40 2hna h GLN 74 Ca -0.09 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2hna h GLN 74 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2hna h GLN 74 CO 0.16 0.09 -0.26 1.49 -0.67 0.00 0.00 178.83 179.64 2hna h GLU 75 N 0.00 0.17 0.00 1.46 4.81 -1.14 -3.35 114.58 116.53 2hna h GLU 75 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2hna h GLU 75 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2hna h GLU 75 CO 0.01 0.42 -0.85 0.00 -0.73 0.00 0.00 179.01 177.86 2hna n GLN 76 N -4.18 2.59 -3.74 1.92 10.64 -1.01 -5.07 117.38 118.54 2hna n GLN 76 Ca -0.01 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.92 2hna n GLN 76 Cb 0.35 -0.93 0.01 0.00 -0.86 0.00 0.00 30.24 28.81 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 -1.61 -0.66 -0.76 2.61 5.02 0.72 -4.84 118.16 118.64 2hna n LYS 77 Ca 0.00 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2hna n LYS 77 Cb 0.29 -1.07 0.17 0.00 -0.02 0.00 0.00 35.03 34.40 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 -5.63 0.75 -1.41 1.97 0.04 -1.26 -4.82 135.00 124.63 2hna s PRO 78 Ca 0.20 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 2hna s PRO 78 Cb -0.11 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 2hna s PRO 78 CO 0.55 -2.74 2.36 -3.47 0.04 0.00 0.00 177.00 173.74 2hna n ASP 79 N -4.29 4.86 -0.26 6.66 2.03 -1.26 -4.30 116.55 119.99 2hna n ASP 79 Ca 0.09 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.66 2hna n ASP 79 Cb 0.53 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 2hna n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hna n LEU 80 N 5.61 0.33 0.00 -2.67 4.32 -1.23 -4.14 117.00 119.22 2hna n LEU 80 Ca 0.57 -0.16 0.03 0.00 -0.02 0.00 0.00 56.01 56.43 2hna n LEU 80 Cb 0.35 -0.16 0.16 0.00 -1.62 0.00 0.00 43.42 42.14 2hna n LEU 80 CO 0.90 0.08 0.52 -1.54 -1.22 0.00 0.00 177.39 176.13 2hna n SER 81 N -0.15 0.00 -0.24 -1.43 3.41 -1.25 -1.23 113.62 112.73 2hna n SER 81 Ca 0.00 0.17 0.02 0.00 -0.26 0.00 0.00 58.87 58.81 2hna n SER 81 Cb 0.08 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.27 2.09 -2.70 7.33 0.00 -1.26 -4.99 120.51 119.72 2hna n ALA 82 Ca 0.03 -1.13 -0.19 0.00 0.00 0.00 0.00 53.44 52.15 2hna n ALA 82 Cb 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.10 1.13 0.08 0.00 0.11 -0.37 -2.82 120.40 117.43 2hna s VAL 83 Ca 0.10 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.87 2hna s VAL 83 Cb 0.06 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2hna s VAL 83 CO 0.06 -0.20 0.21 0.00 -3.33 0.00 0.00 175.10 171.84 2hna s ARG 84 N -1.69 3.38 0.01 1.54 1.70 -1.12 -2.60 118.95 120.17 2hna s ARG 84 Ca -0.02 -0.51 0.07 0.00 -0.47 0.00 0.00 55.73 54.81 2hna s ARG 84 Cb -0.10 -2.99 -0.02 0.00 -0.57 0.00 0.00 34.95 31.27 2hna s ARG 84 CO 0.02 0.58 -0.22 0.12 -1.08 0.00 0.00 175.30 174.73 2hna s PHE 85 N -1.56 1.93 -0.19 5.89 5.36 -0.09 -1.06 117.98 128.27 2hna s PHE 85 Ca 0.34 -0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 55.91 2hna s PHE 85 Cb -0.12 -1.20 0.06 0.00 -0.34 0.00 0.00 43.02 41.41 2hna s PHE 85 CO 0.28 0.02 0.04 0.20 -1.46 0.00 0.00 175.22 174.30 2hna s GLY 86 N -0.80 0.64 0.21 13.12 0.00 -0.82 -1.67 107.32 118.01 2hna s GLY 86 Ca 0.08 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 2hna s GLY 86 CO 0.00 1.47 1.16 0.00 0.00 0.00 0.00 173.10 175.73 2hna s ALA 87 N 1.91 3.42 -0.03 3.20 0.00 -1.26 -1.51 121.76 127.49 2hna s ALA 87 Ca -0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2hna s ALA 87 Cb -0.17 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.60 2hna s ALA 87 CO -0.08 -0.30 0.01 0.42 0.00 0.00 0.00 175.76 175.81 2hna s ILE 88 N -0.41 0.14 0.00 0.00 1.01 0.19 -0.83 121.20 121.30 2hna s ILE 88 Ca 0.50 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2hna s ILE 88 Cb -0.32 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2hna s ILE 88 CO 0.38 0.14 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2hna n GLY 89 N 4.16 2.60 3.58 6.18 0.00 0.21 -3.82 105.19 118.10 2hna n GLY 89 Ca -0.26 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.86 0.96 -0.00 -0.61 2.08 -1.26 -4.40 119.36 115.26 2hna n ILE 90 Ca 0.00 -0.24 0.01 0.00 0.56 0.00 0.00 62.75 63.08 2hna n ILE 90 Cb 0.00 -0.86 -0.03 0.00 -0.75 0.00 0.00 39.64 38.00 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hna n GLY 91 N 1.97 -0.16 0.51 7.39 0.00 -1.26 -4.71 105.19 108.93 2hna n GLY 91 Ca 0.15 -0.08 0.32 0.00 0.00 0.00 0.00 46.02 46.41 2hna n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hna h SER 92 N 0.00 0.00 -0.63 1.61 4.64 -1.85 -1.44 113.55 115.87 2hna h SER 92 Ca -0.02 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 2hna h SER 92 Cb 0.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 2hna h SER 92 CO 0.00 0.00 0.28 -0.09 -0.87 0.00 0.00 176.83 176.15 2hna h ARG 93 N 0.00 0.47 0.00 4.77 9.65 -1.91 -3.42 114.38 123.94 2hna h ARG 93 Ca 0.50 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 2hna h ARG 93 Cb 2.12 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 2hna h ARG 93 CO -0.01 0.31 0.00 0.39 2.80 0.00 0.00 179.97 183.47 2hna n GLU 94 N -4.93 0.00 0.10 0.20 1.02 -0.90 -5.00 120.64 111.12 2hna n GLU 94 Ca 0.09 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.38 2hna n GLU 94 Cb 0.25 0.00 0.66 0.00 -0.02 0.00 0.00 31.44 32.34 2hna n GLU 94 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2hna h TYR 95 N 0.00 0.02 -0.59 -0.32 0.05 -1.86 -2.86 116.97 111.41 2hna h TYR 95 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 2hna h TYR 95 Cb 0.00 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 37.44 2hna h TYR 95 CO 0.00 0.01 -0.83 -3.47 -1.05 0.00 0.00 178.16 172.82 2hna n ASP 96 N -4.44 -0.04 -4.12 3.88 2.03 -0.63 -4.93 116.55 108.29 2hna n ASP 96 Ca 0.05 -2.63 -0.30 0.00 0.52 0.00 0.00 54.79 52.43 2hna n ASP 96 Cb 0.40 0.16 0.19 0.00 -0.72 0.00 0.00 41.12 41.16 2hna n ASP 96 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2hna s THR 97 N -1.65 1.88 -0.51 5.18 -1.32 -0.71 -1.90 115.64 116.60 2hna s THR 97 Ca 0.25 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.78 2hna s THR 97 Cb 0.43 -2.82 0.20 0.00 -1.51 0.00 0.00 72.50 68.79 2hna s THR 97 CO -0.02 0.00 0.47 0.33 -2.21 0.00 0.00 174.62 173.19 2hna n PHE 98 N -4.05 0.88 -2.20 9.09 7.35 -1.26 -4.39 117.46 122.87 2hna n PHE 98 Ca 0.14 -3.73 -0.11 0.00 -0.76 0.00 0.00 57.45 52.98 2hna n PHE 98 Cb 0.59 -0.20 -0.01 0.00 0.35 0.00 0.00 39.48 40.21 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 -0.65 0.68 0.00 0.00 0.00 -1.26 -4.86 105.19 99.10 2hna n GLY 100 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 101 N 0.94 1.98 -0.31 4.61 0.00 -0.45 -2.39 120.51 124.89 2hna n ALA 101 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2hna n ALA 101 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2hna n ALA 101 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2hna n ILE 102 N -1.08 0.64 0.20 0.00 -5.35 -1.26 -4.64 119.36 107.87 2hna n ILE 102 Ca 0.10 -0.66 0.03 0.00 -0.27 0.00 0.00 62.75 61.94 2hna n ILE 102 Cb 0.07 0.71 0.12 0.00 -1.74 0.00 0.00 39.64 38.79 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 -0.32 0.00 -0.24 7.28 2.03 -1.01 -4.06 116.55 120.24 2hna n ASP 103 Ca 0.00 0.46 0.02 0.00 0.52 0.00 0.00 54.79 55.79 2hna n ASP 103 Cb 0.31 -0.47 0.15 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 0.48 0.54 -0.67 1.57 -1.83 -0.17 116.57 116.48 2hna h LYS 104 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2hna h LYS 104 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2hna h LYS 104 CO 0.00 0.31 -0.38 1.25 -0.57 0.00 0.00 179.45 180.07 2hna h LEU 105 N 0.49 -0.98 -0.83 2.94 7.12 -1.98 -0.34 115.31 121.73 2hna h LEU 105 Ca 0.36 0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.38 2hna h LEU 105 Cb 0.47 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 40.87 2hna h LEU 105 CO -0.33 -0.57 0.21 -0.33 -0.13 0.00 0.00 178.44 177.29 2hna h GLU 106 N -0.89 1.08 -0.00 1.25 5.08 -1.70 -2.18 114.58 117.22 2hna h GLU 106 Ca -0.06 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2hna h GLU 106 Cb 0.74 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2hna h GLU 106 CO 0.03 0.92 -0.02 0.00 -1.00 0.00 0.00 179.01 178.94 2hna h ALA 107 N 1.19 -0.02 -0.50 3.43 0.00 -0.91 -1.91 119.26 120.54 2hna h ALA 107 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2hna h ALA 107 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2hna h ALA 107 CO -0.01 -0.52 0.12 0.93 0.00 0.00 0.00 179.25 179.77 2hna h GLU 108 N -0.04 0.77 -0.34 0.00 4.39 -0.62 0.24 114.58 118.98 2hna h GLU 108 Ca 0.01 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2hna h GLU 108 Cb 0.06 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2hna h GLU 108 CO -0.03 0.70 0.05 -0.07 -1.16 0.00 0.00 179.01 178.50 2hna h LEU 109 N 0.74 0.54 -0.73 1.33 3.38 -1.16 0.89 115.31 120.30 2hna h LEU 109 Ca 0.16 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2hna h LEU 109 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2hna h LEU 109 CO -0.00 0.67 -0.32 0.11 0.09 0.00 0.00 178.44 178.98 2hna h LYS 110 N 0.39 0.60 -0.50 1.13 1.57 -0.97 -0.92 116.57 117.87 2hna h LYS 110 Ca 0.10 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 2hna h LYS 110 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2hna h LYS 110 CO 0.01 0.85 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.74 2hna h ASN 111 N 0.51 0.84 -0.50 0.86 -1.24 -0.82 -2.94 115.58 112.29 2hna h ASN 111 Ca 0.06 -0.22 -0.13 0.00 0.71 0.00 0.00 56.30 56.72 2hna h ASN 111 Cb 0.81 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2hna h ASN 111 CO 0.07 0.92 -0.18 0.28 -1.29 0.00 0.00 177.43 177.23 2hna h SER 112 N 0.79 1.03 0.00 1.15 0.02 -0.30 -3.47 113.55 112.76 2hna h SER 112 Ca 0.15 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2hna h SER 112 Cb 0.51 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2hna h SER 112 CO 0.03 1.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.50 2hna n GLY 113 N -0.17 0.30 3.75 -3.77 0.00 -0.41 -3.51 105.19 101.38 2hna n GLY 113 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.50 -0.47 4.61 0.00 -0.86 -3.84 121.76 124.70 2hna s ALA 114 Ca 0.00 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 2hna s ALA 114 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.69 2hna s ALA 114 CO 0.00 -0.53 1.04 -1.59 0.00 0.00 0.00 175.76 174.68 2hna s LYS 115 N -0.89 3.64 -0.24 0.00 -2.85 -1.07 -4.13 119.74 114.20 2hna s LYS 115 Ca 0.52 0.39 -0.29 0.00 -1.00 0.00 0.00 55.97 55.60 2hna s LYS 115 Cb -0.37 -3.91 -0.03 0.00 -2.06 0.00 0.00 37.83 31.45 2hna s LYS 115 CO 0.44 -1.30 1.88 -1.14 0.10 0.00 0.00 175.35 175.32 2hna s GLN 116 N 4.12 3.46 0.32 1.78 0.74 -1.26 -0.91 119.66 127.91 2hna s GLN 116 Ca 0.43 1.74 -0.10 0.00 0.05 0.00 0.00 55.36 57.48 2hna s GLN 116 Cb -0.09 -4.20 -0.07 0.00 1.10 0.00 0.00 33.01 29.76 2hna s GLN 116 CO 0.29 -1.71 0.67 0.99 -0.55 0.00 0.00 175.29 174.98 2hna s THR 117 N 6.64 4.84 0.00 -0.34 2.01 -0.67 -4.89 115.64 123.23 2hna s THR 117 Ca 0.84 0.55 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2hna s THR 117 Cb -0.27 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2hna s THR 117 CO 0.34 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2hna n GLY 118 N -0.74 3.87 3.25 4.40 0.00 -1.26 -4.66 105.19 110.06 2hna n GLY 118 Ca 0.01 0.07 -0.10 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 0.88 -0.02 1.61 -1.05 -1.26 -5.13 118.70 113.73 2hna s GLU 119 Ca 0.00 -0.68 -0.38 0.00 -0.15 0.00 0.00 54.97 53.75 2hna s GLU 119 Cb 0.00 0.38 -0.17 0.00 -0.44 0.00 0.00 34.13 33.89 2hna s GLU 119 CO 0.00 -0.30 1.37 2.41 0.95 0.00 0.00 175.26 179.69 2hna n THR 120 N 0.20 0.05 -2.39 1.83 -1.04 -1.26 -4.94 114.28 106.73 2hna n THR 120 Ca -0.17 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.55 2hna n THR 120 Cb 0.61 -0.72 0.01 0.00 -1.82 0.00 0.00 70.33 68.41 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 1.05 3.44 0.03 -4.42 0.20 -0.01 -4.96 118.68 114.02 2hna s LEU 121 Ca 0.89 1.02 0.03 0.00 0.69 0.00 0.00 54.13 56.76 2hna s LEU 121 Cb -1.06 -3.98 -0.02 0.00 -0.43 0.00 0.00 46.19 40.70 2hna s LEU 121 CO 0.54 -0.75 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.22 2hna s LYS 122 N -4.91 0.59 0.22 1.98 1.02 -1.26 -0.62 119.74 116.77 2hna s LYS 122 Ca 0.51 -0.63 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 2hna s LYS 122 Cb -0.11 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 2hna s LYS 122 CO 0.47 0.11 0.25 0.96 -0.92 0.00 0.00 175.35 176.22 2hna s ILE 123 N -0.98 0.00 0.25 2.17 -5.25 -1.26 -4.59 121.20 111.54 2hna s ILE 123 Ca -0.05 -1.80 0.01 0.00 -0.99 0.00 0.00 60.65 57.82 2hna s ILE 123 Cb -0.08 -2.40 -0.05 0.00 2.95 0.00 0.00 42.46 42.88 2hna s ILE 123 CO 0.01 0.00 0.10 0.20 -1.79 0.00 0.00 174.94 173.46 2hna s ASN 124 N -3.11 0.99 0.00 4.36 0.02 -1.26 -4.48 114.94 111.46 2hna s ASN 124 Ca 0.33 -1.39 0.14 0.00 -1.02 0.00 0.00 52.86 50.92 2hna s ASN 124 Cb 0.04 0.21 0.25 0.00 0.02 0.00 0.00 41.25 41.77 2hna s ASN 124 CO 0.11 -0.76 1.13 0.00 0.02 0.00 0.00 177.10 177.60 2hna n ILE 125 N -0.43 0.49 0.00 0.60 3.06 -0.80 -4.91 119.36 117.37 2hna n ILE 125 Ca 0.00 -0.74 0.00 0.00 -2.50 0.00 0.00 62.75 59.51 2hna n ILE 125 Cb 0.66 0.90 0.00 0.00 0.54 0.00 0.00 39.64 41.75 2hna n ILE 125 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2hna n LEU 126 N 0.78 0.00 0.25 9.51 4.77 -1.26 -4.39 117.00 126.67 2hna n LEU 126 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2hna n LEU 126 Cb 0.41 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.15 2hna n LEU 126 CO 0.09 0.00 0.92 -0.78 -1.33 0.00 0.00 177.39 176.29 2hna h ASP 127 N 0.00 0.00 -5.18 -1.43 3.58 -2.06 -3.45 116.42 107.88 2hna h ASP 127 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2hna h ASP 127 Cb 0.00 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.98 2hna h ASP 127 CO 0.00 0.15 0.02 -2.28 -2.88 0.00 0.00 179.24 174.25 2hna s HIS 128 N -4.00 0.26 0.03 0.28 2.46 -1.26 -5.19 115.29 107.87 2hna s HIS 128 Ca -0.02 -0.68 -0.01 0.00 0.47 0.00 0.00 55.06 54.82 2hna s HIS 128 Cb 0.12 0.39 -0.02 0.00 -0.13 0.00 0.00 32.58 32.93 2hna s HIS 128 CO 0.60 -1.15 -0.00 0.16 -2.47 0.00 0.00 174.74 171.87 2hna s ASP 129 N -3.02 0.28 0.00 9.88 -4.77 -1.26 -1.90 116.67 115.88 2hna s ASP 129 Ca 0.19 -0.61 0.00 0.00 -3.30 0.00 0.00 52.55 48.83 2hna s ASP 129 Cb -0.03 0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 2hna s ASP 129 CO 0.10 -0.41 0.00 -0.38 0.70 0.00 0.00 175.17 175.18 2hna n ILE 130 N 1.11 0.00 0.04 2.11 2.08 -1.26 -4.98 119.36 118.46 2hna n ILE 130 Ca -0.21 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.02 2hna n ILE 130 Cb 0.57 -0.49 -0.06 0.00 -0.75 0.00 0.00 39.64 38.91 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 -0.20 0.00 0.38 0.13 -1.87 -3.48 132.00 126.96 2hna h PRO 131 Ca 0.00 0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.33 2hna h PRO 131 Cb 0.00 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.14 2hna h PRO 131 CO 0.00 0.15 0.53 -0.85 -0.23 0.00 0.00 178.00 177.60 2hna n GLU 132 N -4.90 0.21 -2.09 0.86 0.28 -1.26 -4.83 120.64 108.91 2hna n GLU 132 Ca -0.06 -0.64 -0.43 0.00 -0.16 0.00 0.00 57.16 55.88 2hna n GLU 132 Cb 0.22 0.97 -0.03 0.00 1.43 0.00 0.00 31.44 34.04 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2hna s ASP 133 N -2.77 6.57 0.97 -1.84 2.15 -1.26 -4.79 116.67 115.70 2hna s ASP 133 Ca 0.18 1.94 -0.15 0.00 0.43 0.00 0.00 52.55 54.95 2hna s ASP 133 Cb -0.01 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 2hna s ASP 133 CO 0.01 -1.05 1.22 -2.16 -0.17 0.00 0.00 175.17 173.03 2hna s PRO 134 N 4.25 0.63 -0.05 4.34 0.04 -1.26 -5.06 135.00 137.88 2hna s PRO 134 Ca 0.71 -0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 2hna s PRO 134 Cb -0.29 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2hna s PRO 134 CO 0.28 -2.47 0.14 0.00 0.04 0.00 0.00 177.00 174.99 2hna s ALA 135 N -3.56 -0.35 -0.19 8.56 0.00 -1.26 -5.04 121.76 119.92 2hna s ALA 135 Ca 0.69 0.41 0.27 0.00 0.00 0.00 0.00 51.96 53.33 2hna s ALA 135 Cb -0.08 -0.24 1.24 0.00 0.00 0.00 0.00 23.12 24.04 2hna s ALA 135 CO 0.53 -0.07 1.81 1.05 0.00 0.00 0.00 175.76 179.08 2hna h GLU 136 N 5.96 0.00 -0.23 0.00 4.11 -1.99 -3.05 114.58 119.38 2hna h GLU 136 Ca -0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.24 2hna h GLU 136 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2hna h GLU 136 CO 0.42 0.00 0.16 0.93 0.07 0.00 0.00 179.01 180.59 2hna h GLU 137 N 0.00 0.02 -0.54 1.06 5.08 -1.99 -0.91 114.58 117.31 2hna h GLU 137 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2hna h GLU 137 Cb 0.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2hna h GLU 137 CO 0.00 0.02 0.18 2.35 -1.00 0.00 0.00 179.01 180.56 2hna h TRP 138 N 0.02 0.86 0.18 4.33 2.91 -1.96 -0.05 115.95 122.24 2hna h TRP 138 Ca 0.11 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2hna h TRP 138 Cb 0.40 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 2hna h TRP 138 CO -0.00 0.73 -0.09 1.25 -1.03 0.00 0.00 178.44 179.30 2hna h LEU 139 N 0.75 -0.20 -0.71 0.65 7.12 -1.42 -0.99 115.31 120.51 2hna h LEU 139 Ca 0.18 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.15 2hna h LEU 139 Cb 0.26 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.40 2hna h LEU 139 CO -0.01 -0.06 0.44 1.23 -0.13 0.00 0.00 178.44 179.91 2hna h GLY 140 N -0.34 1.03 0.91 3.75 0.00 -1.23 0.19 103.07 107.38 2hna h GLY 140 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2hna h GLY 140 CO 0.04 0.26 -0.46 1.76 0.00 0.00 0.00 176.54 178.14 2hna h SER 141 N 0.85 -1.11 -0.67 0.19 0.02 -0.89 -1.56 113.55 110.38 2hna h SER 141 Ca 0.29 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.33 2hna h SER 141 Cb 0.05 0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2hna h SER 141 CO -0.12 -0.77 0.39 -0.25 -1.14 0.00 0.00 176.83 174.94 2hna h TRP 142 N -1.26 0.72 0.27 3.45 7.01 -0.97 -1.03 115.95 124.14 2hna h TRP 142 Ca -0.13 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 2hna h TRP 142 Cb 0.97 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2hna h TRP 142 CO -0.01 0.37 -0.13 0.28 -2.79 0.00 0.00 178.44 176.16 2hna h VAL 143 N 0.73 0.75 0.00 2.65 2.07 -0.97 0.13 116.25 121.61 2hna h VAL 143 Ca 0.29 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2hna h VAL 143 Cb 0.13 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2hna h VAL 143 CO -0.16 0.03 0.00 -0.55 0.02 0.00 0.00 177.57 176.91 2hna h ASN 144 N -0.44 0.00 0.10 0.57 7.08 -0.91 -0.44 115.58 121.54 2hna h ASN 144 Ca -0.04 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.02 2hna h ASN 144 Cb 0.33 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.59 2hna h ASN 144 CO 0.06 0.00 -0.72 -0.07 -2.08 0.00 0.00 177.43 174.62 2hna h LEU 145 N 0.00 0.45 -0.56 6.14 4.07 -0.88 -3.36 115.31 121.16 2hna h LEU 145 Ca 0.00 -0.92 -0.15 0.00 0.08 0.00 0.00 57.88 56.89 2hna h LEU 145 Cb 0.41 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2hna h LEU 145 CO 0.00 1.33 -0.49 0.17 -1.08 0.00 0.00 178.44 178.37 2hna h LEU 146 N -0.36 0.64 0.00 1.67 8.10 -0.44 -3.51 115.31 121.40 2hna h LEU 146 Ca -0.12 -0.32 0.00 0.00 0.11 0.00 0.00 57.88 57.55 2hna h LEU 146 Cb 1.53 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.57 2hna h LEU 146 CO 0.14 1.02 0.00 0.29 -4.11 0.00 0.00 178.44 175.78