#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 -0.64 -0.13 3.04 0.00 -1.26 -4.78 121.76 117.98 2hna s ALA 2 Ca 0.00 -0.65 0.20 0.00 0.00 0.00 0.00 51.96 51.51 2hna s ALA 2 Cb 0.00 0.98 -0.18 0.00 0.00 0.00 0.00 23.12 23.91 2hna s ALA 2 CO 0.00 -0.93 0.65 -3.47 0.00 0.00 0.00 175.76 172.01 2hna n ASP 3 N -0.42 0.46 -3.91 0.00 2.03 0.46 -4.93 116.55 110.25 2hna n ASP 3 Ca -0.03 0.19 -0.22 0.00 0.52 0.00 0.00 54.79 55.26 2hna n ASP 3 Cb 0.61 0.92 -0.17 0.00 -0.72 0.00 0.00 41.12 41.76 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 -3.14 0.68 -0.13 5.18 1.01 -0.74 -2.92 121.20 121.14 2hna s ILE 4 Ca -0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 2hna s ILE 4 Cb 0.10 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 2hna s ILE 4 CO 0.84 0.27 0.46 0.28 0.00 0.00 0.00 174.94 176.79 2hna s THR 5 N 1.05 5.19 -0.50 2.92 -1.32 -1.03 -1.28 115.64 120.67 2hna s THR 5 Ca -0.09 0.91 -0.09 0.00 -1.21 0.00 0.00 61.69 61.21 2hna s THR 5 Cb -0.14 -3.80 0.13 0.00 -1.51 0.00 0.00 72.50 67.18 2hna s THR 5 CO -0.01 0.32 0.38 -0.76 -2.21 0.00 0.00 174.62 172.34 2hna s LEU 6 N 0.73 5.72 -1.01 9.08 1.02 -0.52 -1.50 118.68 132.20 2hna s LEU 6 Ca 0.25 -2.04 -0.23 0.00 0.02 0.00 0.00 54.13 52.12 2hna s LEU 6 Cb -0.15 -2.01 0.03 0.00 0.02 0.00 0.00 46.19 44.08 2hna s LEU 6 CO 0.09 -0.66 1.57 -0.63 0.02 0.00 0.00 176.35 176.75 2hna s ILE 7 N 1.17 3.83 -0.50 -0.59 1.01 0.24 -1.90 121.20 124.46 2hna s ILE 7 Ca 0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 2hna s ILE 7 Cb -0.25 -4.85 0.12 0.00 0.01 0.00 0.00 42.46 37.49 2hna s ILE 7 CO -0.02 -1.74 2.60 -1.20 0.00 0.00 0.00 174.94 174.59 2hna n SER 8 N 9.95 6.65 -3.72 3.58 7.64 0.95 -1.40 113.62 137.27 2hna n SER 8 Ca 0.35 -3.30 0.03 0.00 1.01 0.00 0.00 58.87 56.97 2hna n SER 8 Cb 0.50 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 2hna n SER 8 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hna s GLY 9 N 0.09 -0.33 0.00 0.23 0.00 -1.17 -2.43 107.32 103.71 2hna s GLY 9 Ca 0.56 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2hna s GLY 9 CO -0.23 2.79 0.00 -1.14 0.00 0.00 0.00 173.10 174.52 2hna n SER 10 N -0.74 0.38 0.00 1.64 3.41 -1.12 -4.76 113.62 112.43 2hna n SER 10 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2hna n SER 10 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2hna n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2hna n THR 11 N -2.64 0.00 -2.02 6.66 -2.24 -1.26 -3.65 114.28 109.14 2hna n THR 11 Ca 0.00 0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 62.15 2hna n THR 11 Cb 0.27 -1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hna n LEU 12 N -1.87 -0.24 -3.63 3.22 7.94 -1.26 -4.40 117.00 116.77 2hna n LEU 12 Ca 0.00 -1.34 0.01 0.00 -1.11 0.00 0.00 56.01 53.57 2hna n LEU 12 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2hna n LEU 12 CO 0.00 1.05 1.04 -0.83 -1.11 0.00 0.00 177.39 177.53 2hna s GLY 13 N -0.48 -0.40 0.02 -3.96 0.00 -1.26 -4.92 107.32 96.32 2hna s GLY 13 Ca 0.02 0.72 -0.28 0.00 0.00 0.00 0.00 44.72 45.17 2hna s GLY 13 CO -0.01 0.14 1.24 -0.32 0.00 0.00 0.00 173.10 174.15 2hna s GLY 14 N -2.92 -0.24 -0.47 0.20 0.00 -1.02 -2.81 107.32 100.06 2hna s GLY 14 Ca 0.14 0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.90 2hna s GLY 14 CO -0.04 2.29 2.17 0.00 0.00 0.00 0.00 173.10 177.52 2hna s ALA 15 N -2.31 2.07 0.26 3.20 0.00 -1.26 -4.85 121.76 118.87 2hna s ALA 15 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 2hna s ALA 15 Cb 0.02 -4.26 0.32 0.00 0.00 0.00 0.00 23.12 19.20 2hna s ALA 15 CO -0.01 -3.87 1.87 0.93 0.00 0.00 0.00 175.76 174.68 2hna h GLU 16 N 16.96 1.08 -0.76 0.00 3.07 -1.99 -2.01 114.58 130.94 2hna h GLU 16 Ca -0.28 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.46 2hna h GLU 16 Cb 1.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.89 2hna h GLU 16 CO 1.13 0.82 0.49 -0.92 -1.40 0.00 0.00 179.01 179.14 2hna h TYR 17 N 1.08 0.93 -0.03 4.33 5.03 -1.99 0.88 116.97 127.20 2hna h TYR 17 Ca 0.27 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 2hna h TYR 17 Cb 0.08 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.05 2hna h TYR 17 CO 0.01 0.56 -0.02 0.28 -1.32 0.00 0.00 178.16 177.67 2hna h VAL 18 N 0.98 1.36 -0.60 1.81 2.07 -1.87 -2.32 116.25 117.68 2hna h VAL 18 Ca 0.29 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 2hna h VAL 18 Cb -0.05 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2hna h VAL 18 CO -0.08 0.29 0.08 0.00 0.02 0.00 0.00 177.57 177.88 2hna h ALA 19 N 0.56 0.80 -0.55 1.67 0.00 -1.02 -0.29 119.26 120.44 2hna h ALA 19 Ca 0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2hna h ALA 19 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2hna h ALA 19 CO 0.01 0.58 0.03 1.49 0.00 0.00 0.00 179.25 181.35 2hna h GLU 20 N 0.91 0.95 -0.20 0.00 4.81 -0.90 -0.38 114.58 119.78 2hna h GLU 20 Ca 0.18 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2hna h GLU 20 Cb 0.46 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2hna h GLU 20 CO 0.02 0.95 0.10 1.25 -0.73 0.00 0.00 179.01 180.59 2hna h HIS 21 N 0.83 0.28 0.11 0.92 2.76 -1.00 -0.80 115.15 118.25 2hna h HIS 21 Ca 0.16 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 2hna h HIS 21 Cb 0.50 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2hna h HIS 21 CO 0.04 0.27 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.67 2hna h LEU 22 N 0.20 -0.57 -0.41 0.26 3.38 -0.96 -1.80 115.31 115.41 2hna h LEU 22 Ca 0.07 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2hna h LEU 22 Cb 0.09 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 2hna h LEU 22 CO -0.01 -0.29 -0.12 0.00 0.09 0.00 0.00 178.44 178.11 2hna h ALA 23 N 0.42 0.24 0.40 1.53 0.00 -0.92 -0.96 119.26 119.96 2hna h ALA 23 Ca 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2hna h ALA 23 Cb 0.41 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2hna h ALA 23 CO -0.11 -0.47 -0.23 1.49 0.00 0.00 0.00 179.25 179.92 2hna h GLU 24 N -0.03 -0.57 -0.78 0.00 4.81 -0.86 -1.46 114.58 115.69 2hna h GLU 24 Ca 0.20 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2hna h GLU 24 Cb 0.33 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 2hna h GLU 24 CO -0.44 -0.38 0.51 0.87 -0.73 0.00 0.00 179.01 178.85 2hna h LYS 25 N -0.59 0.89 0.00 1.92 1.79 -1.10 -0.86 116.57 118.62 2hna h LYS 25 Ca -0.05 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.28 2hna h LYS 25 Cb 0.48 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2hna h LYS 25 CO 0.06 0.59 -0.44 -0.07 -1.08 0.00 0.00 179.45 178.51 2hna h LEU 26 N 0.92 0.00 -0.35 2.94 4.07 -0.87 0.01 115.31 122.03 2hna h LEU 26 Ca 0.32 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.11 2hna h LEU 26 Cb 0.12 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 2hna h LEU 26 CO -0.10 0.44 -0.49 -0.33 -1.08 0.00 0.00 178.44 176.88 2hna h GLU 27 N 0.00 0.88 0.00 1.13 5.08 -0.12 -2.86 114.58 118.68 2hna h GLU 27 Ca -0.00 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2hna h GLU 27 Cb 0.88 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2hna h GLU 27 CO 0.06 1.16 -0.11 0.93 -1.00 0.00 0.00 179.01 180.05 2hna h GLU 28 N 0.69 0.00 0.00 2.33 4.39 -0.87 -0.97 114.58 120.16 2hna h GLU 28 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2hna h GLU 28 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2hna h GLU 28 CO 0.11 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 2hna n ALA 29 N -2.44 1.69 0.00 3.43 0.00 -0.04 -4.87 120.51 118.28 2hna n ALA 29 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2hna n ALA 29 Cb 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2hna n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 30 N 0.05 1.51 0.00 0.00 0.00 -0.37 -5.08 105.19 101.30 2hna n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.79 -0.27 -4.17 1.61 3.72 -1.16 -5.05 117.46 111.35 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 -0.38 1.10 0.04 4.37 -4.23 -1.26 -4.34 115.64 110.95 2hna s THR 32 Ca 0.00 -1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2hna s THR 32 Cb 0.00 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 2hna s THR 32 CO 0.00 -0.24 -0.00 0.42 -0.54 0.00 0.00 174.62 174.25 2hna s THR 33 N -1.34 0.18 -0.25 3.99 -4.23 -1.26 -0.40 115.64 112.33 2hna s THR 33 Ca -0.02 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2hna s THR 33 Cb -0.10 -1.13 0.08 0.00 1.34 0.00 0.00 72.50 72.69 2hna s THR 33 CO 0.02 -0.81 0.06 -0.70 -0.54 0.00 0.00 174.62 172.65 2hna s GLU 34 N -3.17 0.73 -0.07 3.99 2.12 -0.41 -4.84 118.70 117.05 2hna s GLU 34 Ca -0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 2hna s GLU 34 Cb 0.02 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.33 2hna s GLU 34 CO -0.07 -0.80 1.37 0.99 -0.54 0.00 0.00 175.26 176.21 2hna s THR 35 N 1.74 3.94 -0.13 -1.70 2.01 -1.26 -1.43 115.64 118.80 2hna s THR 35 Ca 0.03 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 2hna s THR 35 Cb -0.17 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.58 2hna s THR 35 CO -0.16 -0.05 0.35 -0.76 -0.69 0.00 0.00 174.62 173.31 2hna s LEU 36 N 2.97 0.58 -0.20 4.42 1.43 -0.80 -4.97 118.68 122.11 2hna s LEU 36 Ca 0.62 0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2hna s LEU 36 Cb -0.28 1.19 0.04 0.00 0.03 0.00 0.00 46.19 47.17 2hna s LEU 36 CO 0.23 -0.13 2.47 1.41 0.23 0.00 0.00 176.35 180.55 2hna n HIS 37 N 3.08 0.86 -4.01 0.29 8.25 -1.26 -0.03 115.22 122.39 2hna n HIS 37 Ca -0.15 -1.62 -0.34 0.00 -0.26 0.00 0.00 57.72 55.35 2hna n HIS 37 Cb 0.57 -1.04 -0.02 0.00 1.12 0.00 0.00 29.99 30.62 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 1.16 -0.46 0.35 -1.41 0.00 -1.26 -4.65 105.19 98.91 2hna n GLY 38 Ca 0.28 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.71 2hna n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hna h PRO 39 N -1.49 0.00 -0.05 1.61 0.11 -1.98 -1.06 132.00 129.14 2hna h PRO 39 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2hna h PRO 39 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hna h PRO 39 CO 0.48 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.55 2hna n LEU 40 N -3.65 2.41 0.00 2.35 4.77 -1.26 -4.98 117.00 116.64 2hna n LEU 40 Ca 0.02 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 2hna n LEU 40 Cb 0.39 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2hna n LEU 40 CO 0.26 0.63 0.00 -0.11 -1.33 0.00 0.00 177.39 176.84 2hna n LEU 41 N -0.86 0.00 -3.06 2.23 7.94 -0.40 -4.56 117.00 118.29 2hna n LEU 41 Ca 0.10 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.03 2hna n LEU 41 Cb 0.51 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.45 2hna n LEU 41 CO 0.03 0.00 0.30 -1.83 -1.11 0.00 0.00 177.39 174.78 2hna s GLU 42 N 0.00 0.42 0.11 1.96 -1.05 -1.26 -4.89 118.70 113.98 2hna s GLU 42 Ca 0.00 0.06 -0.16 0.00 -0.15 0.00 0.00 54.97 54.72 2hna s GLU 42 Cb 0.00 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.75 2hna s GLU 42 CO 0.00 -0.67 1.55 0.22 0.95 0.00 0.00 175.26 177.31 2hna h ASP 43 N 6.81 0.60 -4.01 0.83 3.58 -1.95 -3.43 116.42 118.86 2hna h ASP 43 Ca -0.02 -0.31 -0.47 0.00 0.42 0.00 0.00 57.03 56.64 2hna h ASP 43 Cb 1.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2hna h ASP 43 CO 0.01 0.77 0.28 -0.76 -2.88 0.00 0.00 179.24 176.66 2hna s LEU 44 N -9.43 3.79 0.00 2.28 1.43 -1.26 -5.08 118.68 110.40 2hna s LEU 44 Ca -0.13 1.47 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2hna s LEU 44 Cb 0.09 -4.36 0.05 0.00 0.03 0.00 0.00 46.19 41.99 2hna s LEU 44 CO 0.78 -0.45 0.16 -0.81 0.23 0.00 0.00 176.35 176.26 2hna n PRO 45 N -1.17 -1.48 0.00 1.29 -0.04 -1.26 -4.87 135.00 127.47 2hna n PRO 45 Ca 0.05 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2hna n PRO 45 Cb 0.54 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 -3.31 1.96 -3.53 0.55 0.00 -1.26 -4.61 120.51 110.31 2hna n ALA 46 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2hna n ALA 46 Cb 0.09 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 0.65 -0.65 0.00 0.00 1.04 -1.26 -3.83 113.70 109.64 2hna s SER 47 Ca 0.00 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2hna s SER 47 Cb 0.00 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2hna s SER 47 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2hna n GLY 48 N 3.07 0.26 3.07 7.32 0.00 -1.23 -4.92 105.19 112.75 2hna n GLY 48 Ca -0.15 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.08 1.17 -0.07 -0.61 -1.09 -1.15 -3.47 121.20 113.90 2hna s ILE 49 Ca 0.00 -0.55 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 2hna s ILE 49 Cb 0.00 -1.03 -0.01 0.00 -1.58 0.00 0.00 42.46 39.83 2hna s ILE 49 CO 0.00 0.35 -0.21 0.26 -1.23 0.00 0.00 174.94 174.11 2hna s TRP 50 N 0.27 2.56 0.01 3.97 0.52 -0.27 -2.45 118.94 123.54 2hna s TRP 50 Ca -0.07 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 55.51 2hna s TRP 50 Cb -0.12 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2hna s TRP 50 CO 0.02 -0.13 -0.15 -0.51 0.02 0.00 0.00 176.95 176.20 2hna s LEU 51 N -0.19 2.09 -0.05 2.99 1.43 -0.56 -1.86 118.68 122.53 2hna s LEU 51 Ca -0.02 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2hna s LEU 51 Cb -0.13 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2hna s LEU 51 CO 0.03 0.13 -0.14 -0.69 0.23 0.00 0.00 176.35 175.91 2hna s VAL 52 N -0.55 1.23 -0.26 -1.59 1.01 -0.66 -0.59 120.40 118.99 2hna s VAL 52 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2hna s VAL 52 Cb -0.07 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.31 2hna s VAL 52 CO 0.00 0.37 0.07 -0.63 0.00 0.00 0.00 175.10 174.91 2hna s ILE 53 N 0.32 0.70 -0.29 2.22 1.09 -0.49 -1.11 121.20 123.63 2hna s ILE 53 Ca -0.09 -1.00 -0.17 0.00 -1.10 0.00 0.00 60.65 58.29 2hna s ILE 53 Cb -0.13 -1.37 0.16 0.00 -1.06 0.00 0.00 42.46 40.06 2hna s ILE 53 CO 0.03 -0.46 1.06 -0.44 -0.10 0.00 0.00 174.94 175.02 2hna s SER 54 N 1.74 -0.39 -0.58 3.58 0.01 -1.17 -3.03 113.70 113.86 2hna s SER 54 Ca 0.04 0.64 -0.27 0.00 1.31 0.00 0.00 55.95 57.67 2hna s SER 54 Cb -0.17 1.10 -0.01 0.00 0.21 0.00 0.00 66.02 67.16 2hna s SER 54 CO -0.18 -0.10 1.68 -0.44 0.41 0.00 0.00 173.24 174.60 2hna s SER 55 N 1.15 5.66 0.45 2.44 0.01 -1.25 -3.31 113.70 118.84 2hna s SER 55 Ca -0.07 0.35 0.25 0.00 1.31 0.00 0.00 55.95 57.78 2hna s SER 55 Cb -0.03 -2.54 1.35 0.00 0.21 0.00 0.00 66.02 65.01 2hna s SER 55 CO -0.13 -2.07 1.73 0.71 0.41 0.00 0.00 173.24 173.88 2hna h THR 56 N 6.65 0.00 0.00 1.44 1.35 -1.86 0.14 112.91 120.64 2hna h THR 56 Ca -0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 2hna h THR 56 Cb 1.13 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2hna h THR 56 CO 1.19 0.00 -0.82 1.57 -0.25 0.00 0.00 175.52 177.21 2hna n HIS 57 N -2.47 0.00 0.30 4.73 -0.00 -1.26 -0.79 115.22 115.73 2hna n HIS 57 Ca -0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.86 2hna n HIS 57 Cb 0.20 -0.14 0.94 0.00 -0.00 0.00 0.00 29.99 30.99 2hna n HIS 57 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2hna h GLY 58 N -0.18 0.00 -4.89 1.57 0.00 -1.80 -1.57 103.07 96.19 2hna h GLY 58 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.98 2hna h GLY 58 CO -0.05 0.00 -1.06 0.00 0.00 0.00 0.00 176.54 175.44 2hna n ALA 59 N -2.30 2.96 -2.27 3.60 0.00 0.01 -5.02 120.51 117.50 2hna n ALA 59 Ca -0.03 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.52 2hna n ALA 59 Cb 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.54 3.83 4.46 0.00 0.00 -0.59 -4.62 105.19 107.74 2hna n GLY 60 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2hna n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hna n ASP 61 N 0.00 0.00 -0.13 1.61 2.03 0.03 -4.42 116.55 115.66 2hna n ASP 61 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2hna n ASP 61 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2hna n ASP 61 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2hna h ILE 62 N 0.00 0.58 -0.19 5.18 1.08 -1.89 -1.39 117.51 120.87 2hna h ILE 62 Ca 0.00 -0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.31 2hna h ILE 62 Cb 0.00 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 2hna h ILE 62 CO 0.00 0.00 0.04 -0.81 -0.69 0.00 0.00 178.15 176.69 2hna n PRO 63 N -5.31 1.51 -2.75 2.37 -0.04 -1.26 -4.63 135.00 124.89 2hna n PRO 63 Ca 0.03 -0.76 -0.17 0.00 -0.04 0.00 0.00 63.50 62.57 2hna n PRO 63 Cb 0.23 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2hna n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hna n ASP 64 N 1.42 -4.20 0.00 3.54 2.03 -0.62 -3.31 116.55 115.41 2hna n ASP 64 Ca 0.20 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2hna n ASP 64 Cb 0.61 -3.52 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 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 -2.02 0.00 -4.09 1.67 4.05 -0.65 -4.73 115.26 109.49 2hna n ASN 65 Ca -0.11 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 54.75 2hna n ASN 65 Cb 0.60 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.48 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2hna s LEU 66 N 0.00 2.21 -0.02 1.20 1.02 -1.21 -4.14 118.68 117.74 2hna s LEU 66 Ca 0.00 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.59 2hna s LEU 66 Cb 0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 46.19 45.82 2hna s LEU 66 CO 0.00 -0.08 -0.14 -1.54 0.02 0.00 0.00 176.35 174.61 2hna n SER 67 N 1.71 1.30 0.03 2.29 3.41 -1.24 -4.70 113.62 116.42 2hna n SER 67 Ca -0.20 0.20 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2hna n SER 67 Cb 0.55 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 2hna n SER 67 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2hna h PRO 68 N -0.40 0.32 0.24 4.33 0.13 -1.83 -3.39 132.00 131.41 2hna h PRO 68 Ca 0.00 -0.55 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2hna h PRO 68 Cb 0.40 0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2hna h PRO 68 CO 0.00 1.26 -0.13 0.74 -0.23 0.00 0.00 178.00 179.64 2hna h PHE 69 N 0.05 -0.35 -0.50 1.56 0.04 -1.83 -0.11 116.94 115.80 2hna h PHE 69 Ca -0.38 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.36 2hna h PHE 69 Cb 2.04 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 40.29 2hna h PHE 69 CO 0.09 -0.21 0.21 -0.92 -0.60 0.00 0.00 178.31 176.88 2hna h TYR 70 N -0.36 0.75 -0.24 -0.55 3.20 -1.84 -0.16 116.97 117.77 2hna h TYR 70 Ca -0.03 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 2hna h TYR 70 Cb 0.29 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2hna h TYR 70 CO -0.08 0.62 0.09 0.93 -1.64 0.00 0.00 178.16 178.08 2hna h GLU 71 N 0.66 0.37 -0.06 1.82 5.08 -1.72 -2.71 114.58 118.02 2hna h GLU 71 Ca 0.17 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2hna h GLU 71 Cb 0.17 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2hna h GLU 71 CO -0.02 0.43 -0.11 0.00 -1.00 0.00 0.00 179.01 178.31 2hna h ALA 72 N 0.93 1.70 0.76 3.43 0.00 -0.70 -0.40 119.26 124.99 2hna h ALA 72 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2hna h ALA 72 Cb 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hna h ALA 72 CO -0.01 0.22 -0.37 -0.07 0.00 0.00 0.00 179.25 179.03 2hna h LEU 73 N 0.09 -0.87 -2.05 0.00 3.38 -0.78 -3.11 115.31 111.97 2hna h LEU 73 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2hna h LEU 73 Cb 0.26 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2hna h LEU 73 CO 0.02 -0.58 -0.08 1.56 0.09 0.00 0.00 178.44 179.44 2hna h GLN 74 N -1.09 0.00 -0.05 1.13 4.20 -1.13 0.23 115.11 118.40 2hna h GLN 74 Ca -0.10 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2hna h GLN 74 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hna h GLN 74 CO 0.17 0.08 -0.27 1.49 -0.67 0.00 0.00 178.83 179.63 2hna h GLU 75 N 0.00 0.08 0.00 1.46 4.81 -1.01 -3.34 114.58 116.58 2hna h GLU 75 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2hna h GLU 75 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2hna h GLU 75 CO 0.01 0.36 -0.75 0.00 -0.73 0.00 0.00 179.01 177.89 2hna n GLN 76 N -4.19 2.06 -3.47 1.92 10.64 -1.02 -5.07 117.38 118.25 2hna n GLN 76 Ca -0.02 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.97 2hna n GLN 76 Cb 0.34 -0.88 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 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 -1.32 -0.75 -0.69 2.61 5.02 0.78 -4.83 118.16 118.98 2hna n LYS 77 Ca 0.00 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 2hna n LYS 77 Cb 0.14 -1.08 0.16 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.21 -0.52 -1.35 1.97 -0.04 -1.26 -4.76 135.00 126.82 2hna n PRO 78 Ca -0.14 -0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 62.84 2hna n PRO 78 Cb 0.35 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 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 -3.49 8.20 -0.02 3.54 2.03 -1.26 -4.10 116.55 121.44 2hna n ASP 79 Ca 0.10 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 52.81 2hna n ASP 79 Cb 0.53 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 3.87 0.03 0.00 -2.67 4.77 -1.23 -4.02 117.00 117.74 2hna n LEU 80 Ca 0.76 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.74 2hna n LEU 80 Cb 0.25 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 2hna n LEU 80 CO 0.86 0.01 0.50 -1.20 -1.33 0.00 0.00 177.39 176.23 2hna n SER 81 N -0.47 0.00 -0.45 -1.43 7.64 -1.24 -1.05 113.62 116.62 2hna n SER 81 Ca 0.00 0.34 0.04 0.00 1.01 0.00 0.00 58.87 60.26 2hna n SER 81 Cb 0.01 -0.37 0.12 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.37 2.20 -2.69 -0.43 0.00 -1.25 -4.95 120.51 112.02 2hna n ALA 82 Ca 0.01 -1.27 -0.19 0.00 0.00 0.00 0.00 53.44 52.00 2hna n ALA 82 Cb 0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.24 1.15 0.17 0.00 0.11 -0.22 -3.47 120.40 116.90 2hna s VAL 83 Ca 0.19 -1.30 -0.05 0.00 -2.93 0.00 0.00 61.98 57.89 2hna s VAL 83 Cb 0.11 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2hna s VAL 83 CO 0.10 -0.20 0.41 0.00 -3.33 0.00 0.00 175.10 172.08 2hna s ARG 84 N -1.70 3.62 0.06 1.54 1.70 -1.23 -2.37 118.95 120.57 2hna s ARG 84 Ca -0.01 -0.08 0.09 0.00 -0.47 0.00 0.00 55.73 55.25 2hna s ARG 84 Cb -0.10 -2.81 -0.03 0.00 -0.57 0.00 0.00 34.95 31.44 2hna s ARG 84 CO 0.02 0.42 -0.24 0.12 -1.08 0.00 0.00 175.30 174.55 2hna s PHE 85 N -1.74 2.39 -0.13 5.89 5.36 -0.08 -1.12 117.98 128.56 2hna s PHE 85 Ca 0.41 -0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 56.00 2hna s PHE 85 Cb -0.12 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.22 2hna s PHE 85 CO 0.25 0.20 0.02 0.20 -1.46 0.00 0.00 175.22 174.43 2hna s GLY 86 N -1.43 0.56 0.29 13.12 0.00 -0.77 -1.60 107.32 117.48 2hna s GLY 86 Ca 0.13 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 2hna s GLY 86 CO 0.04 1.30 1.14 0.00 0.00 0.00 0.00 173.10 175.58 2hna s ALA 87 N 1.94 3.43 -0.04 3.20 0.00 -1.26 -1.65 121.76 127.38 2hna s ALA 87 Ca 0.02 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2hna s ALA 87 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2hna s ALA 87 CO -0.07 -0.26 -0.00 0.42 0.00 0.00 0.00 175.76 175.86 2hna s ILE 88 N -1.16 0.22 0.00 0.00 1.01 -0.27 -0.67 121.20 120.33 2hna s ILE 88 Ca 0.45 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2hna s ILE 88 Cb -0.34 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2hna s ILE 88 CO 0.43 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2hna n GLY 89 N 4.28 1.50 3.59 6.18 0.00 0.29 -3.02 105.19 118.03 2hna n GLY 89 Ca -0.23 0.00 -0.52 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 -1.95 0.00 0.21 -0.61 5.41 -1.21 -3.81 119.36 117.40 2hna n ILE 90 Ca 0.00 -0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 2hna n ILE 90 Cb 0.00 -0.86 0.15 0.00 -0.71 0.00 0.00 39.64 38.22 2hna n ILE 90 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2hna h GLY 91 N 4.64 0.00 1.30 7.39 0.00 -1.79 -3.35 103.07 111.26 2hna h GLY 91 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2hna h GLY 91 CO 0.78 0.00 0.06 1.44 0.00 0.00 0.00 176.54 178.82 2hna n SER 92 N -3.08 0.00 0.18 0.19 7.64 -1.26 -1.28 113.62 116.01 2hna n SER 92 Ca 0.04 0.25 0.13 0.00 1.01 0.00 0.00 58.87 60.29 2hna n SER 92 Cb 0.55 -0.25 0.64 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.00 0.00 0.00 1.43 2.43 -1.82 -3.43 114.38 112.98 2hna h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hna h ARG 93 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2hna h ARG 93 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 2hna n GLU 94 N -2.39 0.00 0.15 0.20 1.02 -0.41 -4.90 120.64 114.31 2hna n GLU 94 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2hna n GLU 94 Cb 0.10 0.00 0.55 0.00 -0.02 0.00 0.00 31.44 32.07 2hna n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2hna n TYR 95 N -1.20 0.77 -3.40 -0.32 4.02 -1.25 -3.72 117.16 112.06 2hna n TYR 95 Ca 0.00 0.36 -0.25 0.00 -0.01 0.00 0.00 57.90 57.99 2hna n TYR 95 Cb 0.00 -1.07 -0.10 0.00 -0.02 0.00 0.00 39.34 38.15 2hna n TYR 95 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2hna s ASP 96 N -4.13 2.01 0.26 7.72 2.15 -1.09 -4.98 116.67 118.61 2hna s ASP 96 Ca 0.00 -2.35 -0.21 0.00 0.43 0.00 0.00 52.55 50.42 2hna s ASP 96 Cb 0.07 -0.16 0.03 0.00 -0.30 0.00 0.00 42.92 42.56 2hna s ASP 96 CO 0.28 -0.25 0.69 0.28 -0.17 0.00 0.00 175.17 176.01 2hna s THR 97 N 0.81 0.00 0.00 1.71 -1.32 -1.24 -4.09 115.64 111.51 2hna s THR 97 Ca 0.23 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2hna s THR 97 Cb -0.12 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 2hna s THR 97 CO -0.06 -0.00 0.43 0.33 -2.21 0.00 0.00 174.62 173.10 2hna n PHE 98 N -0.45 0.00 -2.11 9.09 7.35 -1.26 -4.94 117.46 125.14 2hna n PHE 98 Ca -0.06 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.67 2hna n PHE 98 Cb 0.60 0.04 0.05 0.00 0.35 0.00 0.00 39.48 40.52 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 -0.03 -2.42 0.27 0.00 0.00 -1.26 -4.61 105.19 97.14 2hna n GLY 100 Ca 0.07 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.69 -5.55 4.61 0.00 -1.99 -3.46 119.26 114.55 2hna h ALA 101 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2hna h ALA 101 Cb 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2hna h ALA 101 CO 0.00 0.03 -0.41 0.44 0.00 0.00 0.00 179.25 179.32 2hna n ILE 102 N -4.12 -0.34 1.76 0.00 -5.35 -1.26 -4.38 119.36 105.67 2hna n ILE 102 Ca -0.03 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 2hna n ILE 102 Cb 0.11 -0.80 0.63 0.00 -1.74 0.00 0.00 39.64 37.84 2hna n ILE 102 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2hna n ASP 103 N -1.98 0.60 -0.28 7.28 5.75 -1.26 -4.41 116.55 122.24 2hna n ASP 103 Ca 0.01 -1.37 0.10 0.00 -0.01 0.00 0.00 54.79 53.52 2hna n ASP 103 Cb 0.51 -0.02 0.33 0.00 -1.03 0.00 0.00 41.12 40.91 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 0.86 0.77 0.39 0.11 1.57 -1.98 0.01 116.57 118.30 2hna h LYS 104 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2hna h LYS 104 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2hna h LYS 104 CO 0.00 0.51 -0.19 1.25 -0.57 0.00 0.00 179.45 180.45 2hna h LEU 105 N 0.79 -0.45 -0.79 2.94 7.12 -2.01 -0.84 115.31 122.08 2hna h LEU 105 Ca 0.44 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.42 2hna h LEU 105 Cb 0.58 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.78 2hna h LEU 105 CO -0.20 -0.26 0.49 -0.33 -0.13 0.00 0.00 178.44 178.01 2hna h GLU 106 N -0.61 1.07 -0.06 1.25 5.08 -1.72 -2.61 114.58 116.98 2hna h GLU 106 Ca -0.05 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2hna h GLU 106 Cb 0.45 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2hna h GLU 106 CO 0.09 0.74 -0.00 0.00 -1.00 0.00 0.00 179.01 178.84 2hna h ALA 107 N 1.26 0.05 -0.05 3.43 0.00 -0.79 -1.65 119.26 121.52 2hna h ALA 107 Ca 0.28 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2hna h ALA 107 Cb -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hna h ALA 107 CO -0.06 -0.48 -0.37 0.93 0.00 0.00 0.00 179.25 179.28 2hna h GLU 108 N 0.02 0.09 -0.42 0.00 4.39 -0.96 0.64 114.58 118.35 2hna h GLU 108 Ca 0.03 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2hna h GLU 108 Cb 0.03 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2hna h GLU 108 CO -0.05 0.45 0.09 -0.07 -1.16 0.00 0.00 179.01 178.27 2hna h LEU 109 N 0.08 0.64 -0.68 1.33 3.38 -1.08 0.93 115.31 119.91 2hna h LEU 109 Ca 0.01 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 2hna h LEU 109 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2hna h LEU 109 CO 0.05 0.72 -0.46 0.11 0.09 0.00 0.00 178.44 178.96 2hna h LYS 110 N 0.54 0.47 -0.09 1.13 1.57 -0.77 -0.86 116.57 118.55 2hna h LYS 110 Ca 0.13 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 2hna h LYS 110 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2hna h LYS 110 CO 0.00 0.84 -0.43 -0.97 -0.57 0.00 0.00 179.45 178.33 2hna h ASN 111 N 0.38 0.23 -0.12 0.86 -1.24 -0.78 -2.54 115.58 112.37 2hna h ASN 111 Ca 0.02 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 2hna h ASN 111 Cb 0.95 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.94 2hna h ASN 111 CO 0.08 0.63 0.03 0.28 -1.29 0.00 0.00 177.43 177.16 2hna h SER 112 N 0.18 0.18 0.00 1.15 0.02 -0.44 -3.48 113.55 111.16 2hna h SER 112 Ca 0.01 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2hna h SER 112 Cb 0.83 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2hna h SER 112 CO 0.07 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.74 2hna n GLY 113 N -0.48 0.13 3.76 -3.77 0.00 -0.38 -3.55 105.19 100.91 2hna n GLY 113 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 3.56 -0.43 4.61 0.00 -0.90 -3.69 121.76 124.90 2hna s ALA 114 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 2hna s ALA 114 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2hna s ALA 114 CO 0.00 -0.76 0.96 -1.59 0.00 0.00 0.00 175.76 174.36 2hna s LYS 115 N -1.42 3.66 -0.23 0.00 -2.85 -1.00 -4.21 119.74 113.69 2hna s LYS 115 Ca 0.53 0.36 -0.29 0.00 -1.00 0.00 0.00 55.97 55.58 2hna s LYS 115 Cb -0.42 -3.88 -0.04 0.00 -2.06 0.00 0.00 37.83 31.43 2hna s LYS 115 CO 0.52 -1.15 1.94 -1.14 0.10 0.00 0.00 175.35 175.62 2hna s GLN 116 N 3.76 3.41 0.40 1.78 0.74 -1.26 -0.90 119.66 127.59 2hna s GLN 116 Ca 0.39 1.80 -0.14 0.00 0.05 0.00 0.00 55.36 57.46 2hna s GLN 116 Cb -0.10 -4.23 -0.08 0.00 1.10 0.00 0.00 33.01 29.69 2hna s GLN 116 CO 0.24 -1.77 0.82 0.99 -0.55 0.00 0.00 175.29 175.03 2hna s THR 117 N 6.90 4.66 0.00 -0.34 2.01 -0.63 -4.86 115.64 123.37 2hna s THR 117 Ca 0.87 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.82 2hna s THR 117 Cb -0.29 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2hna s THR 117 CO 0.34 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 2hna n GLY 118 N -0.95 4.31 2.26 4.40 0.00 -1.26 -4.74 105.19 109.21 2hna n GLY 118 Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 14.00 0.51 -1.34 1.61 0.28 -1.26 -5.11 120.64 129.33 2hna n GLU 119 Ca 0.00 -1.79 -0.60 0.00 -0.16 0.00 0.00 57.16 54.61 2hna n GLU 119 Cb 0.00 1.79 -0.11 0.00 1.43 0.00 0.00 31.44 34.54 2hna n GLU 119 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2hna n THR 120 N -0.38 0.03 -1.63 3.84 -1.04 -1.26 -4.73 114.28 109.10 2hna n THR 120 Ca -0.00 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.67 2hna n THR 120 Cb 0.39 -0.64 0.05 0.00 -1.82 0.00 0.00 70.33 68.31 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 5.72 2.99 0.05 -4.42 2.96 0.16 -4.92 118.68 121.22 2hna s LEU 121 Ca 1.17 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 56.58 2hna s LEU 121 Cb -1.42 -4.30 -0.02 0.00 0.50 0.00 0.00 46.19 40.94 2hna s LEU 121 CO 0.66 -1.49 -0.10 -0.54 -1.32 0.00 0.00 176.35 173.56 2hna s LYS 122 N -5.12 0.65 0.18 1.98 1.02 -1.26 -0.54 119.74 116.65 2hna s LYS 122 Ca 0.58 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.86 2hna s LYS 122 Cb -0.13 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 2hna s LYS 122 CO 0.54 0.11 -0.18 0.96 -0.92 0.00 0.00 175.35 175.86 2hna s ILE 123 N -1.26 1.90 -0.41 2.17 -0.00 -1.26 -4.30 121.20 118.04 2hna s ILE 123 Ca -0.06 -1.99 0.08 0.00 -0.00 0.00 0.00 60.65 58.68 2hna s ILE 123 Cb -0.10 -1.92 0.36 0.00 -0.00 0.00 0.00 42.46 40.81 2hna s ILE 123 CO 0.01 -0.33 1.30 -3.20 -0.00 0.00 0.00 174.94 172.72 2hna n ASN 124 N 0.16 -1.96 -4.12 4.36 2.85 -1.24 -4.44 115.26 110.87 2hna n ASN 124 Ca -0.12 -2.67 -0.17 0.00 -0.11 0.00 0.00 54.58 51.51 2hna n ASN 124 Cb 0.57 1.20 -0.12 0.00 1.24 0.00 0.00 39.78 42.67 2hna n ASN 124 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2hna s ILE 125 N 0.21 0.91 0.00 -1.44 2.07 -1.26 -4.83 121.20 116.85 2hna s ILE 125 Ca 0.21 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 2hna s ILE 125 Cb 0.37 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2hna s ILE 125 CO -0.08 -0.17 0.00 -0.11 -1.91 0.00 0.00 174.94 172.67 2hna n LEU 126 N 1.65 0.00 0.00 8.50 7.94 -1.26 -1.41 117.00 132.41 2hna n LEU 126 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 2hna n LEU 126 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 2hna n LEU 126 CO 0.22 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.83 2hna n ASP 127 N 0.13 0.00 -2.13 1.96 2.03 -1.26 -4.99 116.55 112.28 2hna n ASP 127 Ca 0.00 -0.44 -0.19 0.00 0.52 0.00 0.00 54.79 54.68 2hna n ASP 127 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2hna n ASP 127 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2hna n HIS 128 N 0.00 1.23 0.36 -0.67 8.25 -0.50 -4.58 115.22 119.31 2hna n HIS 128 Ca 0.00 -1.82 0.14 0.00 -0.26 0.00 0.00 57.72 55.78 2hna n HIS 128 Cb 0.11 -1.20 0.56 0.00 1.12 0.00 0.00 29.99 30.58 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 2.31 0.00 0.00 0.41 3.32 -1.82 -3.29 116.42 117.35 2hna h ASP 129 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2hna h ASP 129 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2hna h ASP 129 CO 0.68 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 177.82 2hna n ILE 130 N -2.61 0.00 0.00 0.35 5.41 -1.26 -3.51 119.36 117.73 2hna n ILE 130 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 2hna n ILE 130 Cb 0.28 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 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 -2.21 0.00 -3.60 0.38 -0.04 -1.26 -4.94 135.00 123.33 2hna n PRO 131 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2hna n PRO 131 Cb 0.00 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.13 0.32 0.37 0.54 2.12 -1.23 -5.07 118.70 115.62 2hna s GLU 132 Ca 0.00 -0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.36 2hna s GLU 132 Cb 0.00 0.15 0.78 0.00 0.26 0.00 0.00 34.13 35.31 2hna s GLU 132 CO 0.00 -0.12 1.98 0.22 -0.54 0.00 0.00 175.26 176.80 2hna h ASP 133 N 2.13 0.62 0.00 -1.70 3.58 -1.91 -3.37 116.42 115.77 2hna h ASP 133 Ca -0.11 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2hna h ASP 133 Cb 1.17 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2hna h ASP 133 CO 0.25 0.41 0.00 -2.65 -2.88 0.00 0.00 179.24 174.36 2hna n PRO 134 N -4.47 0.00 -0.19 0.28 -0.02 -1.26 -4.42 135.00 124.91 2hna n PRO 134 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 2hna n PRO 134 Cb 0.21 -1.17 0.07 0.00 -0.02 0.00 0.00 33.50 32.58 2hna n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hna h ALA 135 N 1.34 0.45 -0.36 3.55 0.00 -1.75 -1.23 119.26 121.27 2hna h ALA 135 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2hna h ALA 135 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2hna h ALA 135 CO 0.00 -0.42 -0.23 1.49 0.00 0.00 0.00 179.25 180.08 2hna h GLU 136 N 0.03 0.71 -0.59 0.00 4.81 -1.85 -1.59 114.58 116.10 2hna h GLU 136 Ca 0.29 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2hna h GLU 136 Cb 0.46 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2hna h GLU 136 CO -0.57 0.88 0.07 0.93 -0.73 0.00 0.00 179.01 179.59 2hna h GLU 137 N 0.62 1.00 -0.60 1.92 4.39 -1.72 -0.88 114.58 119.30 2hna h GLU 137 Ca 0.09 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 2hna h GLU 137 Cb 0.73 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2hna h GLU 137 CO 0.06 0.95 0.22 -1.49 -1.16 0.00 0.00 179.01 177.59 2hna h TRP 138 N 0.90 0.95 0.20 4.33 6.55 -1.00 -0.77 115.95 127.11 2hna h TRP 138 Ca 0.18 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.94 2hna h TRP 138 Cb 0.45 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2hna h TRP 138 CO 0.03 0.77 -0.18 1.25 -1.05 0.00 0.00 178.44 179.26 2hna h LEU 139 N 0.85 -0.48 -0.74 -4.49 5.85 -0.97 0.11 115.31 115.44 2hna h LEU 139 Ca 0.20 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2hna h LEU 139 Cb 0.25 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2hna h LEU 139 CO -0.01 -0.28 0.49 1.23 -0.34 0.00 0.00 178.44 179.53 2hna h GLY 140 N -0.41 1.05 0.72 3.75 0.00 -1.05 0.36 103.07 107.49 2hna h GLY 140 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2hna h GLY 140 CO -0.03 0.37 -0.39 1.76 0.00 0.00 0.00 176.54 178.25 2hna h SER 141 N 0.99 -0.94 -0.63 0.19 0.02 -0.99 -1.75 113.55 110.44 2hna h SER 141 Ca 0.28 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 2hna h SER 141 Cb -0.09 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2hna h SER 141 CO -0.07 -0.62 0.35 -0.25 -1.14 0.00 0.00 176.83 175.10 2hna h TRP 142 N -1.02 0.65 0.39 3.45 7.01 -0.78 -0.54 115.95 125.11 2hna h TRP 142 Ca -0.10 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2hna h TRP 142 Cb 0.79 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 2hna h TRP 142 CO -0.00 0.32 -0.19 0.28 -2.79 0.00 0.00 178.44 176.06 2hna h VAL 143 N 0.66 0.62 0.00 2.65 2.07 -0.95 0.11 116.25 121.41 2hna h VAL 143 Ca 0.28 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2hna h VAL 143 Cb 0.15 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2hna h VAL 143 CO -0.16 0.01 0.00 -0.55 0.02 0.00 0.00 177.57 176.88 2hna h ASN 144 N -0.55 0.00 0.15 0.57 7.08 -0.93 -1.05 115.58 120.85 2hna h ASN 144 Ca -0.05 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.93 2hna h ASN 144 Cb 0.42 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.68 2hna h ASN 144 CO 0.09 0.00 -1.00 -0.07 -2.08 0.00 0.00 177.43 174.37 2hna h LEU 145 N 0.00 0.62 -0.51 6.14 4.07 -0.83 -3.35 115.31 121.45 2hna h LEU 145 Ca 0.00 -0.91 -0.15 0.00 0.08 0.00 0.00 57.88 56.90 2hna h LEU 145 Cb 0.49 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2hna h LEU 145 CO 0.00 1.48 -0.45 0.17 -1.08 0.00 0.00 178.44 178.56 2hna h LEU 146 N -0.13 0.76 0.00 1.67 8.10 -0.59 -3.51 115.31 121.61 2hna h LEU 146 Ca -0.17 -0.37 0.00 0.00 0.11 0.00 0.00 57.88 57.46 2hna h LEU 146 Cb 1.76 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.77 2hna h LEU 146 CO 0.19 1.10 0.00 0.29 -4.11 0.00 0.00 178.44 175.91