#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 2.38 -0.04 3.04 0.00 -1.26 -4.77 121.76 121.11 2hna s ALA 2 Ca 0.00 0.30 0.12 0.00 0.00 0.00 0.00 51.96 52.37 2hna s ALA 2 Cb 0.00 -3.26 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 2hna s ALA 2 CO 0.00 -1.54 0.21 -3.47 0.00 0.00 0.00 175.76 170.96 2hna n ASP 3 N -3.18 2.27 -3.88 0.00 2.03 0.76 -4.91 116.55 109.65 2hna n ASP 3 Ca 0.09 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.20 2hna n ASP 3 Cb 0.53 1.37 -0.16 0.00 -0.72 0.00 0.00 41.12 42.14 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 -2.70 0.49 -0.06 5.18 1.01 -0.89 -3.54 121.20 120.69 2hna s ILE 4 Ca -0.05 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 2hna s ILE 4 Cb 0.07 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2hna s ILE 4 CO 0.49 0.22 0.59 0.28 0.00 0.00 0.00 174.94 176.52 2hna s THR 5 N 1.00 5.04 -0.56 2.92 -1.32 -1.17 -2.08 115.64 119.46 2hna s THR 5 Ca -0.10 1.22 -0.06 0.00 -1.21 0.00 0.00 61.69 61.55 2hna s THR 5 Cb -0.14 -3.93 0.15 0.00 -1.51 0.00 0.00 72.50 67.06 2hna s THR 5 CO -0.00 0.34 0.40 -0.76 -2.21 0.00 0.00 174.62 172.38 2hna s LEU 6 N 0.37 5.54 -0.44 9.08 2.01 -0.58 -1.88 118.68 132.79 2hna s LEU 6 Ca 0.32 -2.40 -0.22 0.00 0.01 0.00 0.00 54.13 51.83 2hna s LEU 6 Cb -0.17 -1.93 0.02 0.00 0.01 0.00 0.00 46.19 44.12 2hna s LEU 6 CO 0.15 -0.52 0.72 -0.63 1.01 0.00 0.00 176.35 177.08 2hna s ILE 7 N 0.61 4.74 0.01 -0.59 1.01 -0.29 -1.16 121.20 125.51 2hna s ILE 7 Ca 0.12 0.32 0.05 0.00 0.00 0.00 0.00 60.65 61.13 2hna s ILE 7 Cb -0.21 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2hna s ILE 7 CO -0.03 -0.64 -0.12 -0.44 0.00 0.00 0.00 174.94 173.70 2hna s SER 8 N 2.05 4.22 0.00 3.58 0.01 0.15 -0.99 113.70 122.72 2hna s SER 8 Ca 0.27 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2hna s SER 8 Cb -0.13 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.23 2hna s SER 8 CO 0.21 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2hna n GLY 9 N 1.71 3.07 0.01 3.44 0.00 -0.10 -4.17 105.19 109.15 2hna n GLY 9 Ca -0.16 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 43.98 2hna n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hna n SER 10 N 0.00 0.24 0.07 1.61 3.41 -0.58 -3.90 113.62 114.47 2hna n SER 10 Ca 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 2hna n SER 10 Cb 0.00 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2hna n SER 10 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2hna n THR 11 N -0.91 0.00 -1.85 6.66 5.66 -1.26 -0.72 114.28 121.86 2hna n THR 11 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2hna n THR 11 Cb 0.04 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 -2.94 0.00 0.00 1.09 7.94 -1.26 -3.81 117.00 118.01 2hna n LEU 12 Ca 0.00 -0.78 0.00 0.00 -1.11 0.00 0.00 56.01 54.12 2hna n LEU 12 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2hna n LEU 12 CO 0.00 0.50 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 2hna n GLY 13 N 0.00 1.29 0.00 -3.96 0.00 -1.26 -4.91 105.19 96.36 2hna n GLY 13 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.90 0.67 0.00 -0.02 0.00 -1.26 -1.53 105.19 102.14 2hna n GLY 14 Ca 0.00 0.00 0.00 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 0.29 -0.01 4.61 0.00 -1.26 -4.78 120.51 119.35 2hna n ALA 15 Ca 0.00 -0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.47 2hna n ALA 15 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 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 0.16 0.23 0.00 3.07 -1.90 -2.23 114.58 113.91 2hna h GLU 16 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2hna h GLU 16 Cb 0.64 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2hna h GLU 16 CO 0.00 0.11 -0.19 -0.92 -1.40 0.00 0.00 179.01 176.61 2hna h TYR 17 N 0.17 -0.50 0.01 4.33 3.20 -2.00 0.52 116.97 122.70 2hna h TYR 17 Ca 0.24 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.90 2hna h TYR 17 Cb 0.73 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2hna h TYR 17 CO -0.00 -0.29 -0.98 -0.24 -1.64 0.00 0.00 178.16 175.01 2hna h VAL 18 N -0.43 1.67 -0.59 1.81 3.04 -1.92 -3.16 116.25 116.66 2hna h VAL 18 Ca -0.01 -3.24 -0.00 0.00 -1.01 0.00 0.00 66.70 62.44 2hna h VAL 18 Cb 0.39 2.77 -0.03 0.00 -2.01 0.00 0.00 31.29 32.41 2hna h VAL 18 CO -0.02 0.93 0.37 0.00 -1.01 0.00 0.00 177.57 177.83 2hna h ALA 19 N 1.00 1.53 -0.53 3.17 0.00 -1.19 -0.65 119.26 122.58 2hna h ALA 19 Ca -0.02 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2hna h ALA 19 Cb 1.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2hna h ALA 19 CO 0.13 0.42 -0.01 1.49 0.00 0.00 0.00 179.25 181.27 2hna h GLU 20 N 0.81 0.95 -0.25 0.00 4.81 -0.86 0.84 114.58 120.87 2hna h GLU 20 Ca 0.21 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2hna h GLU 20 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2hna h GLU 20 CO -0.04 0.97 0.10 1.25 -0.73 0.00 0.00 179.01 180.56 2hna h HIS 21 N 0.82 0.38 -0.04 0.92 2.76 -1.38 -0.94 115.15 117.67 2hna h HIS 21 Ca 0.15 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2hna h HIS 21 Cb 0.55 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 2hna h HIS 21 CO 0.04 0.39 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.90 2hna h LEU 22 N 0.26 -0.27 -0.50 0.26 3.38 -1.02 -1.80 115.31 115.62 2hna h LEU 22 Ca 0.08 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2hna h LEU 22 Cb 0.17 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2hna h LEU 22 CO -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.40 2hna h ALA 23 N 0.88 0.48 0.38 1.53 0.00 -0.67 -0.32 119.26 121.53 2hna h ALA 23 Ca 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2hna h ALA 23 Cb 0.21 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hna h ALA 23 CO -0.12 -0.38 -0.19 1.49 0.00 0.00 0.00 179.25 180.04 2hna h GLU 24 N 0.12 -0.51 -0.86 0.00 4.81 -0.81 -1.98 114.58 115.36 2hna h GLU 24 Ca 0.25 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2hna h GLU 24 Cb 0.38 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2hna h GLU 24 CO -0.42 -0.34 0.56 0.87 -0.73 0.00 0.00 179.01 178.96 2hna h LYS 25 N -0.53 0.97 -0.24 1.92 1.79 -1.01 -0.52 116.57 118.96 2hna h LYS 25 Ca -0.05 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2hna h LYS 25 Cb 0.41 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2hna h LYS 25 CO 0.07 0.64 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.96 2hna h LEU 26 N 1.00 0.35 -0.48 2.94 3.38 -0.78 -0.51 115.31 121.19 2hna h LEU 26 Ca 0.36 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 2hna h LEU 26 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2hna h LEU 26 CO -0.12 0.45 -0.43 -0.33 0.09 0.00 0.00 178.44 178.10 2hna h GLU 27 N 0.35 0.77 0.00 1.13 5.08 -0.36 -2.77 114.58 118.78 2hna h GLU 27 Ca 0.08 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2hna h GLU 27 Cb 0.33 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2hna h GLU 27 CO 0.01 1.05 -0.16 0.93 -1.00 0.00 0.00 179.01 179.84 2hna h GLU 28 N 0.62 0.00 0.00 2.33 5.08 -0.70 -1.47 114.58 120.44 2hna h GLU 28 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2hna h GLU 28 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2hna h GLU 28 CO 0.09 0.16 -0.11 0.00 -1.00 0.00 0.00 179.01 178.15 2hna h ALA 29 N 1.84 1.05 0.00 3.43 0.00 -0.85 -3.47 119.26 121.27 2hna h ALA 29 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hna h ALA 29 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2hna h ALA 29 CO 0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2hna n GLY 30 N -0.04 0.50 0.00 0.00 0.00 -0.56 -5.10 105.19 99.99 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 -1.82 -4.14 1.61 3.72 -1.08 -5.00 117.46 110.74 2hna n PHE 31 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 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 0.75 0.94 0.08 4.37 -4.23 -1.26 -4.30 115.64 111.98 2hna s THR 32 Ca 0.00 -1.31 -0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2hna s THR 32 Cb 0.00 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.82 2hna s THR 32 CO 0.00 -0.32 0.12 0.42 -0.54 0.00 0.00 174.62 174.31 2hna s THR 33 N -1.49 0.17 -0.14 3.99 -4.23 -1.26 -0.17 115.64 112.51 2hna s THR 33 Ca -0.03 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2hna s THR 33 Cb -0.09 -1.40 0.04 0.00 1.34 0.00 0.00 72.50 72.39 2hna s THR 33 CO 0.01 -0.75 -0.01 -0.70 -0.54 0.00 0.00 174.62 172.64 2hna s GLU 34 N -3.88 0.91 -0.13 3.99 -6.30 -0.88 -4.81 118.70 107.60 2hna s GLU 34 Ca 0.06 -0.25 -0.29 0.00 -2.50 0.00 0.00 54.97 51.98 2hna s GLU 34 Cb 0.06 -1.65 -0.01 0.00 0.00 0.00 0.00 34.13 32.53 2hna s GLU 34 CO -0.11 -0.44 1.06 0.99 0.02 0.00 0.00 175.26 176.79 2hna s THR 35 N 1.83 4.64 0.04 -1.70 2.01 -1.26 -1.53 115.64 119.67 2hna s THR 35 Ca 0.02 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.94 2hna s THR 35 Cb -0.15 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2hna s THR 35 CO -0.07 -0.05 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.04 2hna s LEU 36 N 2.41 2.33 -0.50 4.42 1.43 -0.31 -4.97 118.68 123.49 2hna s LEU 36 Ca 0.49 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2hna s LEU 36 Cb -0.19 0.23 0.52 0.00 0.03 0.00 0.00 46.19 46.78 2hna s LEU 36 CO 0.16 -0.51 1.79 0.00 0.23 0.00 0.00 176.35 178.02 2hna n HIS 37 N 0.57 2.78 -3.98 0.29 1.44 -1.26 -0.67 115.22 114.39 2hna n HIS 37 Ca -0.17 -2.38 -0.27 0.00 -2.01 0.00 0.00 57.72 52.89 2hna n HIS 37 Cb 0.59 -1.01 -0.02 0.00 0.12 0.00 0.00 29.99 29.68 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 -0.98 -0.27 0.30 -1.39 0.00 -1.26 -4.67 105.19 96.92 2hna n GLY 38 Ca 0.55 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.90 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 -1.96 -1.86 132.00 128.12 2hna h PRO 39 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.02 -0.03 1.28 -0.23 0.00 0.00 178.00 179.68 2hna n LEU 40 N -3.15 1.92 0.00 1.56 4.77 -1.26 -4.99 117.00 115.85 2hna n LEU 40 Ca -0.01 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 2hna n LEU 40 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2hna n LEU 40 CO 0.25 0.55 0.00 -0.11 -1.33 0.00 0.00 177.39 176.74 2hna n LEU 41 N -0.85 0.00 -2.95 2.23 7.94 -0.70 -4.54 117.00 118.13 2hna n LEU 41 Ca 0.07 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2hna n LEU 41 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 2hna n LEU 41 CO 0.00 0.00 0.22 -1.83 -1.11 0.00 0.00 177.39 174.68 2hna s GLU 42 N 0.00 0.67 0.19 1.96 -1.05 -1.26 -4.92 118.70 114.28 2hna s GLU 42 Ca 0.00 -0.40 -0.10 0.00 -0.15 0.00 0.00 54.97 54.32 2hna s GLU 42 Cb 0.00 0.04 0.12 0.00 -0.44 0.00 0.00 34.13 33.84 2hna s GLU 42 CO 0.00 -0.91 1.77 0.22 0.95 0.00 0.00 175.26 177.29 2hna h ASP 43 N 5.87 0.93 -3.11 0.83 3.58 -1.96 -3.41 116.42 119.15 2hna h ASP 43 Ca 0.03 -0.15 -0.59 0.00 0.42 0.00 0.00 57.03 56.74 2hna h ASP 43 Cb 1.17 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.95 2hna h ASP 43 CO 0.02 0.82 -0.35 -0.76 -2.88 0.00 0.00 179.24 176.08 2hna s LEU 44 N -9.81 4.28 0.00 2.28 1.43 -1.26 -5.10 118.68 110.51 2hna s LEU 44 Ca -0.13 0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 2hna s LEU 44 Cb 0.14 -3.24 0.30 0.00 0.03 0.00 0.00 46.19 43.42 2hna s LEU 44 CO 0.81 0.07 0.93 -0.81 0.23 0.00 0.00 176.35 177.58 2hna n PRO 45 N 0.11 -3.52 -0.06 1.29 -0.04 -1.26 -4.86 135.00 126.66 2hna n PRO 45 Ca -0.03 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2hna n PRO 45 Cb 0.52 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.99 2.20 -3.66 0.55 0.00 -1.26 -4.52 120.51 108.84 2hna n ALA 46 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2hna n ALA 46 Cb 0.54 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 1.26 -0.83 0.00 0.00 0.01 -1.26 -4.05 113.70 108.82 2hna s SER 47 Ca 0.00 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2hna s SER 47 Cb 0.00 1.57 0.00 0.00 0.21 0.00 0.00 66.02 67.80 2hna s SER 47 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2hna n GLY 48 N 4.83 0.47 3.13 3.44 0.00 -1.15 -4.93 105.19 110.97 2hna n GLY 48 Ca -0.16 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.17 1.60 0.04 -0.61 -1.09 -1.23 -3.19 121.20 113.54 2hna s ILE 49 Ca 0.00 -0.76 0.09 0.00 -2.23 0.00 0.00 60.65 57.75 2hna s ILE 49 Cb 0.00 -1.40 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 2hna s ILE 49 CO 0.00 0.46 -0.24 0.26 -1.23 0.00 0.00 174.94 174.19 2hna s TRP 50 N 0.41 2.39 -0.01 3.97 0.52 -0.25 -3.05 118.94 122.91 2hna s TRP 50 Ca -0.14 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.62 2hna s TRP 50 Cb -0.16 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2hna s TRP 50 CO 0.06 0.17 -0.03 -0.51 0.02 0.00 0.00 176.95 176.66 2hna s LEU 51 N -1.30 1.67 -0.02 2.99 1.43 -0.79 -1.87 118.68 120.79 2hna s LEU 51 Ca 0.13 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2hna s LEU 51 Cb -0.10 -0.22 -0.00 0.00 0.03 0.00 0.00 46.19 45.90 2hna s LEU 51 CO 0.03 -0.01 -0.09 -0.69 0.23 0.00 0.00 176.35 175.82 2hna s VAL 52 N 0.36 0.75 -0.36 -1.59 1.01 -0.64 -1.14 120.40 118.79 2hna s VAL 52 Ca -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2hna s VAL 52 Cb -0.07 -0.65 0.11 0.00 0.00 0.00 0.00 36.38 35.77 2hna s VAL 52 CO -0.01 0.23 0.13 -0.63 0.00 0.00 0.00 175.10 174.82 2hna s ILE 53 N 0.03 1.42 0.00 2.22 1.09 -0.17 -1.20 121.20 124.59 2hna s ILE 53 Ca -0.00 -2.03 0.00 0.00 -1.10 0.00 0.00 60.65 57.52 2hna s ILE 53 Cb -0.06 -2.04 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 2hna s ILE 53 CO 0.00 -0.73 0.00 -1.54 -0.10 0.00 0.00 174.94 172.57 2hna n SER 54 N 4.27 0.00 -4.03 3.58 3.41 -1.23 -0.93 113.62 118.70 2hna n SER 54 Ca 0.03 -0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 2hna n SER 54 Cb 0.39 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2hna n SER 54 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hna n SER 55 N 0.00 -3.74 -0.32 4.04 7.64 -1.26 -4.56 113.62 115.43 2hna n SER 55 Ca 0.00 -1.16 0.21 0.00 1.01 0.00 0.00 58.87 58.93 2hna n SER 55 Cb 0.09 -1.42 0.48 0.00 -1.01 0.00 0.00 64.21 62.35 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 -1.93 0.57 -1.51 0.44 1.35 -1.78 0.24 112.91 110.30 2hna h THR 56 Ca -0.64 -0.16 0.44 0.00 -0.55 0.00 0.00 66.41 65.50 2hna h THR 56 Cb 1.27 0.08 -0.06 0.00 -1.73 0.00 0.00 68.15 67.71 2hna h THR 56 CO 0.45 0.08 1.13 -0.74 -0.25 0.00 0.00 175.52 176.19 2hna h HIS 57 N 0.45 0.00 0.00 4.73 6.17 -1.76 -3.30 115.15 121.44 2hna h HIS 57 Ca 0.58 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.66 2hna h HIS 57 Cb 1.36 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.29 2hna h HIS 57 CO -0.00 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.05 2hna n GLY 58 N -1.83 0.95 2.71 5.26 0.00 -0.51 -4.98 105.19 106.78 2hna n GLY 58 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 2.49 -0.80 4.61 0.00 0.73 -5.08 120.51 122.46 2hna n ALA 59 Ca 0.00 -2.11 -0.18 0.00 0.00 0.00 0.00 53.44 51.15 2hna n ALA 59 Cb 0.47 -0.93 0.25 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.59 -3.16 3.26 0.00 0.00 -1.25 -4.46 105.19 98.99 2hna n GLY 60 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.84 1.33 0.11 1.61 2.15 -0.43 -4.84 116.67 112.76 2hna s ASP 61 Ca 0.65 -1.18 -0.20 0.00 0.43 0.00 0.00 52.55 52.25 2hna s ASP 61 Cb -0.08 0.10 -0.08 0.00 -0.30 0.00 0.00 42.92 42.56 2hna s ASP 61 CO 0.51 -0.55 1.72 0.40 -0.17 0.00 0.00 175.17 177.08 2hna h ILE 62 N 2.65 1.10 -0.01 4.11 1.08 -1.99 -2.64 117.51 121.81 2hna h ILE 62 Ca -0.37 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2hna h ILE 62 Cb 1.21 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2hna h ILE 62 CO 0.63 0.09 0.00 -0.65 -0.69 0.00 0.00 178.15 177.54 2hna h PRO 63 N 0.23 0.02 0.00 2.37 0.11 -1.98 -3.47 132.00 129.28 2hna h PRO 63 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2hna h PRO 63 Cb 0.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2hna h PRO 63 CO -0.01 0.20 0.00 -3.47 -0.21 0.00 0.00 178.00 174.50 2hna n ASP 64 N -4.99 -3.73 0.00 -2.05 2.03 -0.99 -4.98 116.55 101.84 2hna n ASP 64 Ca -0.07 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2hna n ASP 64 Cb 0.11 3.52 0.00 0.00 -0.72 0.00 0.00 41.12 44.03 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 -3.39 0.00 -4.06 1.67 2.85 -1.25 -1.31 115.26 109.76 2hna n ASN 65 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 2hna n ASN 65 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2hna n ASN 65 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2hna n LEU 66 N 0.00 -0.17 -0.04 1.20 4.77 0.10 -4.59 117.00 118.27 2hna n LEU 66 Ca 0.00 -1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 54.71 2hna n LEU 66 Cb 0.00 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 39.64 2hna n LEU 66 CO 0.00 0.70 0.83 0.28 -1.33 0.00 0.00 177.39 177.87 2hna h SER 67 N -1.95 0.22 -0.24 -1.43 0.02 -1.81 0.13 113.55 108.49 2hna h SER 67 Ca -0.63 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.10 2hna h SER 67 Cb 1.24 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2hna h SER 67 CO 0.48 0.34 0.04 1.55 -1.14 0.00 0.00 176.83 178.10 2hna h PRO 68 N 0.08 0.49 -0.16 3.45 0.13 -1.90 -1.46 132.00 132.63 2hna h PRO 68 Ca 0.05 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.95 2hna h PRO 68 Cb 0.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2hna h PRO 68 CO -0.00 0.49 -0.47 0.74 -0.23 0.00 0.00 178.00 178.52 2hna h PHE 69 N 0.48 0.79 -0.22 1.56 0.04 -1.76 -0.37 116.94 117.46 2hna h PHE 69 Ca 0.11 -0.31 0.05 0.00 2.80 0.00 0.00 57.97 60.62 2hna h PHE 69 Cb 0.25 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 2hna h PHE 69 CO 0.01 1.09 -0.15 -0.92 -0.60 0.00 0.00 178.31 177.74 2hna h TYR 70 N 0.27 -0.38 -0.67 -0.55 3.20 -0.47 0.85 116.97 119.22 2hna h TYR 70 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2hna h TYR 70 Cb 1.09 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.53 2hna h TYR 70 CO 0.10 -0.22 0.36 0.93 -1.64 0.00 0.00 178.16 177.68 2hna h GLU 71 N -0.14 0.94 -0.65 1.82 5.08 -1.20 -2.64 114.58 117.79 2hna h GLU 71 Ca 0.12 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2hna h GLU 71 Cb 0.33 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2hna h GLU 71 CO -0.30 0.72 0.29 0.00 -1.00 0.00 0.00 179.01 178.71 2hna h ALA 72 N 1.17 1.28 0.44 3.43 0.00 -0.55 -2.10 119.26 122.93 2hna h ALA 72 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hna h ALA 72 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hna h ALA 72 CO -0.04 0.55 -0.33 -0.07 0.00 0.00 0.00 179.25 179.36 2hna h LEU 73 N 0.93 -0.86 -2.53 0.00 3.38 -0.48 -1.91 115.31 113.84 2hna h LEU 73 Ca 0.22 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2hna h LEU 73 Cb 0.14 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2hna h LEU 73 CO -0.02 -0.49 -0.00 0.06 0.09 0.00 0.00 178.44 178.07 2hna h GLN 74 N -0.76 0.00 -0.01 1.13 3.07 -1.38 0.20 115.11 117.36 2hna h GLN 74 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.54 2hna h GLN 74 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.19 2hna h GLN 74 CO 0.01 0.00 -0.71 1.49 0.09 0.00 0.00 178.83 179.71 2hna h GLU 75 N 0.00 0.08 0.00 0.06 4.81 -0.64 -3.39 114.58 115.51 2hna h GLU 75 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2hna h GLU 75 Cb 0.15 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2hna h GLU 75 CO 0.00 0.75 -0.94 0.00 -0.73 0.00 0.00 179.01 178.09 2hna n GLN 76 N -3.74 3.28 -2.63 1.92 10.64 -0.89 -5.08 117.38 120.89 2hna n GLN 76 Ca -0.02 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.10 2hna n GLN 76 Cb 0.69 -0.97 0.00 0.00 -0.86 0.00 0.00 30.24 29.10 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 -1.84 -0.30 -0.36 2.61 5.02 0.67 -4.94 118.16 119.01 2hna n LYS 77 Ca 0.00 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 2hna n LYS 77 Cb 0.40 -0.41 0.27 0.00 -0.02 0.00 0.00 35.03 35.27 2hna n LYS 77 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2hna n PRO 78 N -0.82 -3.71 -2.91 1.97 -0.04 -1.26 -4.92 135.00 123.30 2hna n PRO 78 Ca -0.06 -1.09 -0.44 0.00 -0.04 0.00 0.00 63.50 61.88 2hna n PRO 78 Cb 0.13 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 2hna n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hna n ASP 79 N -5.02 5.23 0.00 3.54 2.03 -1.26 -4.68 116.55 116.38 2hna n ASP 79 Ca 0.08 -2.99 0.08 0.00 0.52 0.00 0.00 54.79 52.48 2hna n ASP 79 Cb 0.56 -1.56 0.50 0.00 -0.72 0.00 0.00 41.12 39.91 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 5.39 0.00 0.00 -2.67 7.99 -0.54 -3.87 117.00 123.30 2hna n LEU 80 Ca 0.37 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.40 2hna n LEU 80 Cb 0.42 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.87 2hna n LEU 80 CO 0.64 0.00 0.53 -1.20 -1.51 0.00 0.00 177.39 175.85 2hna n SER 81 N -0.84 0.00 -1.03 -1.43 7.64 -1.24 -0.70 113.62 116.03 2hna n SER 81 Ca 0.13 0.28 0.10 0.00 1.01 0.00 0.00 58.87 60.38 2hna n SER 81 Cb 0.06 -0.34 0.20 0.00 -1.01 0.00 0.00 64.21 63.13 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna n ALA 82 N -1.34 2.38 -2.62 -0.43 0.00 -1.25 -4.93 120.51 112.31 2hna n ALA 82 Ca 0.02 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.22 2hna n ALA 82 Cb 0.05 -0.75 -0.13 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 -1.26 1.19 0.06 0.00 0.11 0.13 -2.96 120.40 117.67 2hna s VAL 83 Ca 0.35 -1.03 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 2hna s VAL 83 Cb 0.20 -1.07 -0.06 0.00 -1.53 0.00 0.00 36.38 33.92 2hna s VAL 83 CO 0.27 0.03 0.38 0.00 -3.33 0.00 0.00 175.10 172.45 2hna s ARG 84 N -1.15 3.74 0.05 1.54 1.70 -1.19 -2.31 118.95 121.33 2hna s ARG 84 Ca 0.02 0.15 0.06 0.00 -0.47 0.00 0.00 55.73 55.49 2hna s ARG 84 Cb -0.08 -3.03 -0.04 0.00 -0.57 0.00 0.00 34.95 31.23 2hna s ARG 84 CO 0.01 0.59 -0.11 0.12 -1.08 0.00 0.00 175.30 174.83 2hna s PHE 85 N -1.35 2.74 -0.11 5.89 5.36 -0.20 -1.09 117.98 129.23 2hna s PHE 85 Ca 0.31 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2hna s PHE 85 Cb -0.14 -1.51 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2hna s PHE 85 CO 0.17 0.36 -0.09 0.20 -1.46 0.00 0.00 175.22 174.40 2hna s GLY 86 N -1.70 0.84 0.13 13.12 0.00 -0.78 -1.65 107.32 117.27 2hna s GLY 86 Ca 0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 2hna s GLY 86 CO 0.09 0.67 1.25 0.00 0.00 0.00 0.00 173.10 175.11 2hna s ALA 87 N 1.51 3.46 -0.24 3.20 0.00 -1.26 -1.62 121.76 126.80 2hna s ALA 87 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2hna s ALA 87 Cb -0.13 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2hna s ALA 87 CO -0.06 -0.46 -0.02 0.42 0.00 0.00 0.00 175.76 175.64 2hna s ILE 88 N 0.59 1.37 0.00 0.00 1.01 -0.34 -0.60 121.20 123.23 2hna s ILE 88 Ca 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2hna s ILE 88 Cb -0.33 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2hna s ILE 88 CO 0.33 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2hna n GLY 89 N 4.72 1.27 3.68 6.18 0.00 0.19 -3.50 105.19 117.73 2hna n GLY 89 Ca -0.09 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.32 -2.66 -0.61 5.41 -1.26 -4.18 119.36 116.37 2hna n ILE 90 Ca 0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.65 2hna n ILE 90 Cb 0.00 -1.45 0.09 0.00 -0.71 0.00 0.00 39.64 37.56 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 3.92 0.97 0.37 7.39 0.00 -1.26 -4.87 105.19 111.70 2hna n GLY 91 Ca 0.22 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2hna n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hna h SER 92 N 1.32 0.76 0.00 1.61 0.02 -1.85 -3.35 113.55 112.07 2hna h SER 92 Ca -0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2hna h SER 92 Cb 1.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2hna h SER 92 CO -0.13 0.43 0.00 -1.14 -1.14 0.00 0.00 176.83 174.86 2hna n ARG 93 N -4.54 0.00 0.20 3.45 3.00 -1.26 -0.26 116.66 117.25 2hna n ARG 93 Ca 0.16 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.16 2hna n ARG 93 Cb 0.35 0.00 0.80 0.00 0.00 0.00 0.00 32.46 33.60 2hna n ARG 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2hna h GLU 94 N 0.00 0.00 0.00 -0.14 4.39 -2.04 -1.88 114.58 114.92 2hna h GLU 94 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hna h GLU 94 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2hna h GLU 94 CO 0.00 0.00 -0.00 0.66 -1.16 0.00 0.00 179.01 178.51 2hna n TYR 95 N -3.99 0.00 -1.44 4.33 4.01 0.64 -4.81 117.16 115.91 2hna n TYR 95 Ca 0.01 -0.50 -0.40 0.00 -0.16 0.00 0.00 57.90 56.86 2hna n TYR 95 Cb 0.29 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2hna n ASP 96 N -0.51 7.50 -3.20 7.72 2.03 -0.71 -3.84 116.55 125.54 2hna n ASP 96 Ca 0.01 -2.65 -0.11 0.00 0.52 0.00 0.00 54.79 52.55 2hna n ASP 96 Cb 0.27 -1.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.08 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 2.36 0.00 0.54 5.18 -1.32 -1.26 -4.87 115.64 116.28 2hna s THR 97 Ca 0.64 -1.28 0.37 0.00 -1.21 0.00 0.00 61.69 60.20 2hna s THR 97 Cb 0.17 -2.67 0.37 0.00 -1.51 0.00 0.00 72.50 68.86 2hna s THR 97 CO -0.07 0.00 2.13 -0.26 -2.21 0.00 0.00 174.62 174.22 2hna h PHE 98 N 2.07 0.00 -0.10 9.09 0.04 -2.00 -1.71 116.94 124.33 2hna h PHE 98 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 2hna h PHE 98 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2hna h PHE 98 CO 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.99 2hna s GLY 100 N -2.19 1.61 0.00 0.00 0.00 -0.65 -5.02 107.32 101.07 2hna s GLY 100 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2hna s GLY 100 CO 0.05 0.22 0.54 0.00 0.00 0.00 0.00 173.10 173.91 2hna n ALA 101 N -3.67 1.40 -2.10 3.20 0.00 -1.26 -4.87 120.51 113.20 2hna n ALA 101 Ca 0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 2hna n ALA 101 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 2hna n ALA 101 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2hna n ILE 102 N 0.00 0.00 -0.53 0.00 3.06 -1.26 -4.86 119.36 115.77 2hna n ILE 102 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 2hna n ILE 102 Cb 0.55 0.46 0.00 0.00 0.54 0.00 0.00 39.64 41.19 2hna n ILE 102 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2hna n ASP 103 N 0.10 0.17 0.27 9.51 5.75 -1.26 -4.74 116.55 126.35 2hna n ASP 103 Ca -0.04 -0.74 0.13 0.00 -0.01 0.00 0.00 54.79 54.14 2hna n ASP 103 Cb 0.73 0.07 0.76 0.00 -1.03 0.00 0.00 41.12 41.66 2hna n ASP 103 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2hna h LYS 104 N 0.00 0.00 0.32 0.11 1.57 -1.92 -0.41 116.57 116.23 2hna h LYS 104 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hna h LYS 104 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2hna h LYS 104 CO 0.00 0.09 -0.35 1.25 -0.57 0.00 0.00 179.45 179.87 2hna h LEU 105 N 0.00 -0.96 -0.77 2.94 7.12 -1.90 -0.14 115.31 121.60 2hna h LEU 105 Ca -0.00 0.09 -0.08 0.00 0.13 0.00 0.00 57.88 58.02 2hna h LEU 105 Cb 0.23 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2hna h LEU 105 CO 0.01 -0.48 0.07 -0.33 -0.13 0.00 0.00 178.44 177.58 2hna h GLU 106 N -0.70 1.00 -0.05 1.25 5.08 -1.57 -2.09 114.58 117.50 2hna h GLU 106 Ca -0.02 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2hna h GLU 106 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2hna h GLU 106 CO -0.08 0.94 -0.06 0.00 -1.00 0.00 0.00 179.01 178.81 2hna h ALA 107 N 1.13 -0.01 -0.63 3.43 0.00 -0.94 -0.88 119.26 121.36 2hna h ALA 107 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2hna h ALA 107 Cb 0.44 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2hna h ALA 107 CO 0.01 -0.53 0.25 0.93 0.00 0.00 0.00 179.25 179.91 2hna h GLU 108 N -0.08 0.95 -0.35 0.00 4.39 -0.86 -0.06 114.58 118.58 2hna h GLU 108 Ca 0.04 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.61 2hna h GLU 108 Cb 0.14 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2hna h GLU 108 CO -0.10 0.80 0.13 -0.07 -1.16 0.00 0.00 179.01 178.62 2hna h LEU 109 N 0.89 0.16 -0.35 1.33 3.38 -0.92 0.71 115.31 120.50 2hna h LEU 109 Ca 0.21 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 2hna h LEU 109 Cb 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hna h LEU 109 CO -0.02 0.13 -0.74 0.11 0.09 0.00 0.00 178.44 178.01 2hna h LYS 110 N 0.29 0.48 -0.31 1.13 1.57 -0.89 -2.64 116.57 116.21 2hna h LYS 110 Ca 0.15 -0.40 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2hna h LYS 110 Cb 0.12 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2hna h LYS 110 CO -0.15 1.03 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.72 2hna h ASN 111 N 0.33 0.48 1.21 0.86 -1.24 -0.78 -2.33 115.58 114.10 2hna h ASN 111 Ca -0.04 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2hna h ASN 111 Cb 1.33 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2hna h ASN 111 CO 0.13 0.60 0.00 0.28 -1.29 0.00 0.00 177.43 177.15 2hna h SER 112 N 0.47 0.00 0.00 1.15 0.02 -0.53 -3.47 113.55 111.19 2hna h SER 112 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2hna h SER 112 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2hna h SER 112 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2hna n GLY 113 N 0.44 1.45 3.72 -3.77 0.00 -0.88 -1.47 105.19 104.69 2hna n GLY 113 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.97 3.73 -0.43 4.61 0.00 -1.02 -3.58 121.76 124.08 2hna s ALA 114 Ca 0.00 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 53.05 2hna s ALA 114 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2hna s ALA 114 CO 0.00 -0.75 0.86 -1.59 0.00 0.00 0.00 175.76 174.28 2hna s LYS 115 N 0.91 3.55 -0.03 0.00 -2.85 -0.98 -4.36 119.74 115.99 2hna s LYS 115 Ca 0.68 0.14 -0.30 0.00 -1.00 0.00 0.00 55.97 55.49 2hna s LYS 115 Cb -0.42 -3.90 -0.08 0.00 -2.06 0.00 0.00 37.83 31.36 2hna s LYS 115 CO 0.33 -1.11 2.04 -1.14 0.10 0.00 0.00 175.35 175.57 2hna s GLN 116 N 3.49 3.88 0.02 1.78 0.74 -1.26 -1.03 119.66 127.28 2hna s GLN 116 Ca 0.34 2.48 0.05 0.00 0.05 0.00 0.00 55.36 58.28 2hna s GLN 116 Cb -0.11 -4.22 -0.02 0.00 1.10 0.00 0.00 33.01 29.76 2hna s GLN 116 CO 0.23 -1.25 -0.14 0.99 -0.55 0.00 0.00 175.29 174.57 2hna s THR 117 N 5.45 1.14 0.00 -0.34 2.01 -0.66 -4.92 115.64 118.32 2hna s THR 117 Ca 0.92 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2hna s THR 117 Cb -0.40 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.11 2hna s THR 117 CO 0.40 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2hna n GLY 118 N 2.27 1.47 2.27 4.40 0.00 -1.26 -4.71 105.19 109.63 2hna n GLY 118 Ca -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2hna n GLY 118 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hna n GLU 119 N 0.00 0.51 -1.77 1.61 0.28 -1.26 -5.11 120.64 114.90 2hna n GLU 119 Ca 0.00 -1.06 -0.43 0.00 -0.16 0.00 0.00 57.16 55.51 2hna n GLU 119 Cb 0.00 1.38 -0.03 0.00 1.43 0.00 0.00 31.44 34.23 2hna n GLU 119 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2hna s THR 120 N -2.35 3.21 0.61 3.84 2.01 -1.26 -4.56 115.64 117.13 2hna s THR 120 Ca 0.12 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 2hna s THR 120 Cb -0.02 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2hna s THR 120 CO 0.05 -0.11 1.09 -0.22 -0.69 0.00 0.00 174.62 174.74 2hna s LEU 121 N 6.52 3.52 0.01 4.42 0.20 0.23 -4.93 118.68 128.66 2hna s LEU 121 Ca 0.89 1.98 0.04 0.00 0.69 0.00 0.00 54.13 57.73 2hna s LEU 121 Cb -0.33 -4.55 -0.02 0.00 -0.43 0.00 0.00 46.19 40.87 2hna s LEU 121 CO 0.35 -1.36 -0.13 -0.54 -0.29 0.00 0.00 176.35 174.39 2hna s LYS 122 N -3.88 0.92 0.18 1.98 1.02 -1.26 -0.64 119.74 118.07 2hna s LYS 122 Ca 0.67 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 56.16 2hna s LYS 122 Cb -0.20 -0.90 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2hna s LYS 122 CO 0.36 0.23 -0.18 0.96 -0.92 0.00 0.00 175.35 175.81 2hna s ILE 123 N -0.58 1.83 0.00 2.17 -4.36 -1.26 -4.29 121.20 114.71 2hna s ILE 123 Ca 0.03 -1.99 0.11 0.00 -0.26 0.00 0.00 60.65 58.54 2hna s ILE 123 Cb -0.06 -1.90 0.18 0.00 1.25 0.00 0.00 42.46 41.94 2hna s ILE 123 CO 0.00 -0.37 1.03 -3.20 0.24 0.00 0.00 174.94 172.65 2hna n ASN 124 N 0.14 0.03 -4.71 4.36 4.05 -1.25 -4.38 115.26 113.49 2hna n ASN 124 Ca -0.12 -1.92 -0.32 0.00 0.45 0.00 0.00 54.58 52.67 2hna n ASN 124 Cb 0.58 -0.03 0.12 0.00 1.23 0.00 0.00 39.78 41.68 2hna n ASN 124 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2hna s ILE 125 N 0.00 2.41 0.37 -1.44 -0.00 -1.26 -4.64 121.20 116.64 2hna s ILE 125 Ca 0.15 0.16 0.12 0.00 -0.00 0.00 0.00 60.65 61.08 2hna s ILE 125 Cb 0.17 -2.50 0.35 0.00 -0.00 0.00 0.00 42.46 40.47 2hna s ILE 125 CO -0.07 -0.14 1.83 0.25 -0.00 0.00 0.00 174.94 176.80 2hna h LEU 126 N -1.03 0.58 -1.24 0.37 5.85 -2.01 -0.23 115.31 117.60 2hna h LEU 126 Ca -0.45 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2hna h LEU 126 Cb 1.27 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2hna h LEU 126 CO 0.47 0.23 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.88 2hna h ASP 127 N 0.58 0.00 -1.97 1.25 3.58 -2.02 -3.34 116.42 114.50 2hna h ASP 127 Ca 0.51 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.48 2hna h ASP 127 Cb 1.03 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.68 2hna h ASP 127 CO -0.25 0.14 -1.18 1.41 -2.88 0.00 0.00 179.24 176.48 2hna n HIS 128 N -3.29 0.09 0.30 0.28 8.25 -0.12 -4.89 115.22 115.84 2hna n HIS 128 Ca 0.00 -3.77 0.18 0.00 -0.26 0.00 0.00 57.72 53.87 2hna n HIS 128 Cb 0.38 -0.38 0.85 0.00 1.12 0.00 0.00 29.99 31.96 2hna n HIS 128 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2hna h ASP 129 N 3.06 0.00 0.00 0.41 3.32 -1.63 -3.33 116.42 118.25 2hna h ASP 129 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2hna h ASP 129 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2hna h ASP 129 CO 0.49 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.63 2hna n ILE 130 N -2.91 0.00 0.00 0.35 5.41 -1.26 -3.60 119.36 117.35 2hna n ILE 130 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2hna n ILE 130 Cb 0.19 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 2hna n ILE 130 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2hna n PRO 131 N -0.20 0.00 -3.63 0.38 -0.04 -1.26 -5.03 135.00 125.23 2hna n PRO 131 Ca 0.00 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2hna n PRO 131 Cb 0.00 -0.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 2hna n PRO 131 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2hna s GLU 132 N -0.17 0.14 0.20 0.54 2.56 -1.24 -5.11 118.70 115.62 2hna s GLU 132 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.97 54.82 2hna s GLU 132 Cb 0.00 0.06 0.23 0.00 2.00 0.00 0.00 34.13 36.42 2hna s GLU 132 CO 0.00 -0.06 1.76 0.22 -0.56 0.00 0.00 175.26 176.62 2hna h ASP 133 N 2.02 0.27 -4.32 -1.70 3.58 -1.89 -3.42 116.42 110.95 2hna h ASP 133 Ca -0.05 0.06 -0.51 0.00 0.42 0.00 0.00 57.03 56.95 2hna h ASP 133 Cb 1.15 0.03 0.10 0.00 1.72 0.00 0.00 39.33 42.32 2hna h ASP 133 CO 0.21 0.17 0.36 -2.16 -2.88 0.00 0.00 179.24 174.94 2hna s PRO 134 N -6.11 2.71 0.00 0.28 0.04 -1.26 -4.62 135.00 126.04 2hna s PRO 134 Ca -0.13 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2hna s PRO 134 Cb 0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2hna s PRO 134 CO 0.74 -1.26 0.00 0.00 0.04 0.00 0.00 177.00 176.53 2hna n ALA 135 N -3.23 1.35 0.27 8.56 0.00 -1.26 -4.50 120.51 121.69 2hna n ALA 135 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.65 2hna n ALA 135 Cb 0.54 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.74 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 0.00 0.00 -0.31 0.00 4.11 -1.93 -2.10 114.58 114.35 2hna h GLU 136 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2hna h GLU 136 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2hna h GLU 136 CO 0.00 0.10 -0.04 0.93 0.07 0.00 0.00 179.01 180.08 2hna h GLU 137 N 0.00 0.49 0.43 1.06 5.08 -1.99 -1.04 114.58 118.61 2hna h GLU 137 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2hna h GLU 137 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2hna h GLU 137 CO 0.01 0.55 -0.25 2.35 -1.00 0.00 0.00 179.01 180.67 2hna h TRP 138 N 0.47 -0.65 0.04 4.33 7.01 -1.77 -1.20 115.95 124.18 2hna h TRP 138 Ca 0.10 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2hna h TRP 138 Cb 0.36 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 2hna h TRP 138 CO 0.01 -0.39 -0.35 1.25 -2.79 0.00 0.00 178.44 176.18 2hna h LEU 139 N -0.64 -1.03 -0.56 0.65 7.12 -1.50 0.97 115.31 120.32 2hna h LEU 139 Ca -0.05 0.13 -0.05 0.00 0.13 0.00 0.00 57.88 58.04 2hna h LEU 139 Cb 0.52 0.40 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 2hna h LEU 139 CO 0.06 -0.41 0.17 1.23 -0.13 0.00 0.00 178.44 179.36 2hna h GLY 140 N -0.53 0.93 0.98 3.75 0.00 -1.21 -1.00 103.07 105.99 2hna h GLY 140 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 2hna h GLY 140 CO -0.25 0.52 -0.47 0.23 0.00 0.00 0.00 176.54 176.57 2hna h SER 141 N 0.78 -1.11 -0.45 0.19 0.87 -0.86 -1.67 113.55 111.29 2hna h SER 141 Ca 0.18 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 2hna h SER 141 Cb 0.29 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2hna h SER 141 CO -0.00 -0.79 0.20 -0.25 -0.53 0.00 0.00 176.83 175.45 2hna h TRP 142 N -1.32 0.36 0.59 2.24 7.01 -0.75 -0.48 115.95 123.60 2hna h TRP 142 Ca -0.13 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.86 2hna h TRP 142 Cb 1.00 -0.10 0.01 0.00 -2.10 0.00 0.00 29.16 27.97 2hna h TRP 142 CO 0.01 0.16 -0.28 0.28 -2.79 0.00 0.00 178.44 175.82 2hna h VAL 143 N 0.40 0.42 0.00 2.65 2.07 -1.20 -0.81 116.25 119.78 2hna h VAL 143 Ca 0.20 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2hna h VAL 143 Cb 0.15 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2hna h VAL 143 CO -0.17 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 176.87 2hna h ASN 144 N -0.79 0.00 0.04 0.57 7.08 -0.94 -1.08 115.58 120.45 2hna h ASN 144 Ca -0.08 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.09 2hna h ASN 144 Cb 0.61 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.85 2hna h ASN 144 CO 0.13 0.00 -0.22 -0.07 -2.08 0.00 0.00 177.43 175.19 2hna h LEU 145 N 0.00 0.13 -0.59 6.14 4.07 -0.84 -3.36 115.31 120.86 2hna h LEU 145 Ca 0.00 -0.97 -0.15 0.00 0.08 0.00 0.00 57.88 56.84 2hna h LEU 145 Cb 0.45 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2hna h LEU 145 CO 0.00 1.09 -0.65 0.17 -1.08 0.00 0.00 178.44 177.97 2hna h LEU 146 N -0.80 0.25 0.00 1.67 8.10 -0.92 -3.51 115.31 120.10 2hna h LEU 146 Ca -0.04 -0.15 0.00 0.00 0.11 0.00 0.00 57.88 57.80 2hna h LEU 146 Cb 1.16 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 2hna h LEU 146 CO 0.04 0.83 0.00 0.29 -4.11 0.00 0.00 178.44 175.50