#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 -0.87 -0.09 3.17 0.00 -1.26 -4.79 121.76 117.92 2hna s ALA 2 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 51.96 51.71 2hna s ALA 2 Cb 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 23.12 23.84 2hna s ALA 2 CO 0.00 -0.89 0.70 -3.47 0.00 0.00 0.00 175.76 172.10 2hna n ASP 3 N -0.39 0.79 -3.95 0.00 2.03 0.40 -4.92 116.55 110.50 2hna n ASP 3 Ca -0.06 0.36 -0.21 0.00 0.52 0.00 0.00 54.79 55.40 2hna n ASP 3 Cb 0.61 0.17 -0.16 0.00 -0.72 0.00 0.00 41.12 41.02 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 -2.78 0.72 -0.10 5.18 1.01 -0.72 -3.84 121.20 120.67 2hna s ILE 4 Ca -0.04 -0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 2hna s ILE 4 Cb 0.08 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 2hna s ILE 4 CO 0.82 0.25 0.58 0.28 0.00 0.00 0.00 174.94 176.87 2hna s THR 5 N 0.59 5.12 -0.62 2.92 -1.32 -1.16 -1.84 115.64 119.34 2hna s THR 5 Ca -0.09 1.17 -0.11 0.00 -1.21 0.00 0.00 61.69 61.46 2hna s THR 5 Cb -0.12 -3.92 0.16 0.00 -1.51 0.00 0.00 72.50 67.11 2hna s THR 5 CO 0.01 0.29 0.52 -0.76 -2.21 0.00 0.00 174.62 172.47 2hna s LEU 6 N 0.73 6.03 -1.24 9.08 2.01 -0.77 -1.78 118.68 132.74 2hna s LEU 6 Ca 0.31 -2.31 -0.13 0.00 0.01 0.00 0.00 54.13 52.01 2hna s LEU 6 Cb -0.16 -2.08 0.16 0.00 0.01 0.00 0.00 46.19 44.11 2hna s LEU 6 CO 0.14 -0.62 1.59 -0.38 1.01 0.00 0.00 176.35 178.09 2hna n ILE 7 N 4.41 4.22 -2.14 -0.59 5.41 0.13 -1.96 119.36 128.83 2hna n ILE 7 Ca 0.01 -4.54 -0.33 0.00 1.00 0.00 0.00 62.75 58.89 2hna n ILE 7 Cb 0.42 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 2hna n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2hna s SER 8 N 2.55 5.89 0.00 4.38 0.15 -0.61 -1.27 113.70 124.79 2hna s SER 8 Ca 0.43 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.93 2hna s SER 8 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2hna s SER 8 CO 0.01 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 173.96 2hna n GLY 9 N -0.83 -3.01 2.00 9.45 0.00 -0.26 -2.82 105.19 109.71 2hna n GLY 9 Ca 0.09 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.03 -0.02 -2.90 1.61 3.41 -0.99 -3.73 113.62 110.98 2hna n SER 10 Ca 0.00 0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2hna n SER 10 Cb 0.00 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hna n THR 11 N -2.51 2.77 -3.96 6.66 -1.04 -1.26 -3.42 114.28 111.52 2hna n THR 11 Ca 0.00 -5.42 -0.27 0.00 -2.04 0.00 0.00 64.05 56.32 2hna n THR 11 Cb 0.00 -1.29 -0.01 0.00 -1.82 0.00 0.00 70.33 67.21 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hna n LEU 12 N -0.24 -2.26 0.00 -4.42 7.94 -1.26 -4.93 117.00 111.83 2hna n LEU 12 Ca 0.31 -0.98 0.00 0.00 -1.11 0.00 0.00 56.01 54.24 2hna n LEU 12 Cb 0.45 -2.27 0.00 0.00 0.53 0.00 0.00 43.42 42.13 2hna n LEU 12 CO 0.33 0.41 0.00 0.61 -1.11 0.00 0.00 177.39 177.63 2hna n GLY 13 N -1.85 1.14 1.79 -3.96 0.00 -1.26 -5.09 105.19 95.96 2hna n GLY 13 Ca -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2hna n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hna n GLY 14 N -0.11 0.62 2.43 -0.02 0.00 -1.26 -2.35 105.19 104.49 2hna n GLY 14 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.04 6.24 0.16 4.61 0.00 -1.26 -4.72 120.51 123.50 2hna n ALA 15 Ca -0.05 -2.77 0.17 0.00 0.00 0.00 0.00 53.44 50.78 2hna n ALA 15 Cb 0.26 -3.16 0.76 0.00 0.00 0.00 0.00 19.45 17.32 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 5.49 0.00 -0.55 0.00 5.08 -1.96 -0.14 114.58 122.50 2hna h GLU 16 Ca 0.68 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 59.06 2hna h GLU 16 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2hna h GLU 16 CO 1.57 0.00 0.34 -0.92 -1.00 0.00 0.00 179.01 179.00 2hna h TYR 17 N 0.00 0.63 -0.31 4.33 3.20 -1.99 0.76 116.97 123.58 2hna h TYR 17 Ca 0.12 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2hna h TYR 17 Cb 0.56 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2hna h TYR 17 CO 0.00 0.37 -0.19 0.28 -1.64 0.00 0.00 178.16 176.98 2hna h VAL 18 N 0.67 1.29 -0.94 1.81 2.07 -1.45 -1.57 116.25 118.13 2hna h VAL 18 Ca 0.22 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2hna h VAL 18 Cb 0.00 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2hna h VAL 18 CO -0.09 0.42 0.59 0.00 0.02 0.00 0.00 177.57 178.51 2hna h ALA 19 N 0.75 1.20 -0.34 1.67 0.00 -1.07 0.04 119.26 121.51 2hna h ALA 19 Ca 0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2hna h ALA 19 Cb 0.73 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2hna h ALA 19 CO 0.05 0.63 -0.32 1.49 0.00 0.00 0.00 179.25 181.11 2hna h GLU 20 N 1.29 0.82 -0.41 0.00 4.81 -0.75 -0.41 114.58 119.91 2hna h GLU 20 Ca 0.34 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2hna h GLU 20 Cb -0.09 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2hna h GLU 20 CO -0.07 1.06 0.24 1.25 -0.73 0.00 0.00 179.01 180.76 2hna h HIS 21 N 0.60 0.56 0.14 0.92 2.76 -0.89 -1.07 115.15 118.17 2hna h HIS 21 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2hna h HIS 21 Cb 0.90 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 2hna h HIS 21 CO 0.07 0.41 -0.15 -0.07 -1.30 0.00 0.00 177.93 176.89 2hna h LEU 22 N 0.54 -0.39 -0.67 0.26 3.38 -0.94 -2.46 115.31 115.03 2hna h LEU 22 Ca 0.15 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.29 2hna h LEU 22 Cb 0.03 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 2hna h LEU 22 CO -0.03 -0.22 0.15 0.00 0.09 0.00 0.00 178.44 178.44 2hna h ALA 23 N 0.51 0.83 0.19 1.53 0.00 -0.86 0.22 119.26 121.68 2hna h ALA 23 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2hna h ALA 23 Cb 0.31 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hna h ALA 23 CO -0.04 -0.31 -0.24 1.49 0.00 0.00 0.00 179.25 180.15 2hna h GLU 24 N 0.27 -0.47 -0.86 0.00 4.81 -0.85 -0.09 114.58 117.40 2hna h GLU 24 Ca 0.37 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 2hna h GLU 24 Cb 0.58 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2hna h GLU 24 CO -0.46 -0.31 0.46 0.87 -0.73 0.00 0.00 179.01 178.84 2hna h LYS 25 N -0.48 1.20 -0.44 1.92 1.79 -0.96 -1.06 116.57 118.54 2hna h LYS 25 Ca 0.01 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.23 2hna h LYS 25 Cb 0.47 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2hna h LYS 25 CO -0.08 0.88 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.96 2hna h LEU 26 N 1.20 0.80 -0.65 2.94 3.38 -0.69 -0.35 115.31 121.94 2hna h LEU 26 Ca 0.30 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2hna h LEU 26 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2hna h LEU 26 CO -0.05 0.95 -0.04 -0.33 0.09 0.00 0.00 178.44 179.07 2hna h GLU 27 N 0.72 1.02 -0.00 1.13 5.08 -0.59 -1.97 114.58 119.96 2hna h GLU 27 Ca 0.12 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2hna h GLU 27 Cb 0.64 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2hna h GLU 27 CO 0.04 1.02 -0.16 0.93 -1.00 0.00 0.00 179.01 179.84 2hna h GLU 28 N 0.92 0.00 0.00 2.33 4.39 -0.89 -2.09 114.58 119.24 2hna h GLU 28 Ca 0.16 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2hna h GLU 28 Cb 0.58 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2hna h GLU 28 CO 0.03 0.16 -0.04 0.00 -1.16 0.00 0.00 179.01 178.00 2hna h ALA 29 N 1.84 0.99 0.00 3.43 0.00 -0.35 -3.47 119.26 121.70 2hna h ALA 29 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hna h ALA 29 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hna h ALA 29 CO 0.02 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2hna n GLY 30 N 0.49 1.66 3.16 0.00 0.00 -0.79 -5.08 105.19 104.63 2hna n GLY 30 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 1.42 0.41 1.61 0.08 -1.03 -5.03 117.98 113.44 2hna s PHE 31 Ca 0.00 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 2hna s PHE 31 Cb 0.00 -0.88 -0.09 0.00 -0.57 0.00 0.00 43.02 41.48 2hna s PHE 31 CO 0.00 0.02 0.85 0.95 -0.10 0.00 0.00 175.22 176.94 2hna s THR 32 N -0.59 4.59 0.06 0.64 -4.23 -1.26 -3.24 115.64 111.62 2hna s THR 32 Ca 0.05 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2hna s THR 32 Cb -0.07 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2hna s THR 32 CO 0.00 -0.39 -0.05 0.42 -0.54 0.00 0.00 174.62 174.07 2hna s THR 33 N -2.24 0.39 -0.28 3.99 -4.23 -1.26 -0.45 115.64 111.56 2hna s THR 33 Ca 0.57 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2hna s THR 33 Cb -0.10 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.40 2hna s THR 33 CO 0.22 -0.88 0.03 -0.70 -0.54 0.00 0.00 174.62 172.75 2hna s GLU 34 N -3.56 1.14 -0.02 3.99 2.12 -0.76 -4.84 118.70 116.78 2hna s GLU 34 Ca 0.06 -1.12 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 2hna s GLU 34 Cb 0.05 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 2hna s GLU 34 CO -0.07 -0.81 1.51 0.99 -0.54 0.00 0.00 175.26 176.34 2hna s THR 35 N 1.44 3.59 0.17 -1.70 2.01 -1.26 -1.85 115.64 118.04 2hna s THR 35 Ca 0.04 0.90 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 2hna s THR 35 Cb -0.18 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2hna s THR 35 CO -0.14 -0.03 0.24 -0.76 -0.69 0.00 0.00 174.62 173.24 2hna s LEU 36 N 3.01 1.09 -0.46 4.42 1.43 -0.83 -4.98 118.68 122.37 2hna s LEU 36 Ca 0.68 -1.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2hna s LEU 36 Cb -0.33 0.96 0.46 0.00 0.03 0.00 0.00 46.19 47.31 2hna s LEU 36 CO 0.27 -0.88 1.60 0.00 0.23 0.00 0.00 176.35 177.57 2hna n HIS 37 N -0.21 2.89 -4.00 0.29 1.44 -1.26 -1.57 115.22 112.80 2hna n HIS 37 Ca -0.05 -2.55 -0.27 0.00 -2.01 0.00 0.00 57.72 52.83 2hna n HIS 37 Cb 0.63 -0.86 -0.03 0.00 0.12 0.00 0.00 29.99 29.85 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 -0.83 -0.27 0.29 -1.39 0.00 -1.13 -4.46 105.19 97.41 2hna n GLY 38 Ca 0.52 0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.86 0.00 0.00 1.61 0.13 -1.92 -1.69 132.00 128.27 2hna h PRO 39 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.62 0.04 -0.04 1.28 -0.23 0.00 0.00 178.00 179.68 2hna n LEU 40 N -3.29 1.70 0.00 1.56 4.77 -1.26 -5.00 117.00 115.48 2hna n LEU 40 Ca -0.01 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 2hna n LEU 40 Cb 0.21 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2hna n LEU 40 CO 0.26 0.48 0.00 -0.11 -1.33 0.00 0.00 177.39 176.69 2hna n LEU 41 N -0.69 0.00 -3.02 2.23 7.94 -0.64 -4.61 117.00 118.21 2hna n LEU 41 Ca 0.05 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.94 2hna n LEU 41 Cb 0.44 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.39 2hna n LEU 41 CO 0.00 0.00 0.13 -1.83 -1.11 0.00 0.00 177.39 174.58 2hna s GLU 42 N 0.00 0.85 0.11 1.96 -1.05 -1.26 -4.91 118.70 114.41 2hna s GLU 42 Ca 0.00 -0.51 -0.17 0.00 -0.15 0.00 0.00 54.97 54.14 2hna s GLU 42 Cb 0.00 0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.70 2hna s GLU 42 CO 0.00 -1.16 1.61 0.22 0.95 0.00 0.00 175.26 176.88 2hna h ASP 43 N 6.18 0.52 -3.83 0.83 3.58 -1.97 -3.42 116.42 118.30 2hna h ASP 43 Ca 0.05 -0.23 -0.48 0.00 0.42 0.00 0.00 57.03 56.79 2hna h ASP 43 Cb 1.16 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2hna h ASP 43 CO 0.06 0.61 0.18 -0.76 -2.88 0.00 0.00 179.24 176.45 2hna s LEU 44 N -9.65 3.95 0.00 2.28 1.43 -1.26 -5.07 118.68 110.36 2hna s LEU 44 Ca -0.13 1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 54.13 2hna s LEU 44 Cb 0.09 -4.20 0.30 0.00 0.03 0.00 0.00 46.19 42.41 2hna s LEU 44 CO 0.75 -0.31 0.92 -0.81 0.23 0.00 0.00 176.35 177.13 2hna n PRO 45 N -0.72 -3.53 -0.16 1.29 -0.04 -1.26 -4.85 135.00 125.73 2hna n PRO 45 Ca 0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2hna n PRO 45 Cb 0.54 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2hna n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 46 N -5.00 2.49 -3.65 0.55 0.00 -1.26 -4.50 120.51 109.14 2hna n ALA 46 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.54 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 1.59 -0.94 0.00 0.00 0.01 -1.26 -4.11 113.70 109.00 2hna s SER 47 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2hna s SER 47 Cb 0.00 1.79 0.00 0.00 0.21 0.00 0.00 66.02 68.02 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 4.99 0.57 3.13 3.44 0.00 -1.16 -4.93 105.19 111.23 2hna n GLY 48 Ca -0.15 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.10 1.69 0.16 -0.61 -1.09 -1.25 -3.15 121.20 113.86 2hna s ILE 49 Ca 0.00 -0.79 0.11 0.00 -2.23 0.00 0.00 60.65 57.74 2hna s ILE 49 Cb 0.00 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.35 2hna s ILE 49 CO 0.00 0.48 -0.25 0.26 -1.23 0.00 0.00 174.94 174.20 2hna s TRP 50 N 0.58 2.32 -0.01 3.97 0.52 -0.41 -3.00 118.94 122.91 2hna s TRP 50 Ca -0.15 -0.36 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 2hna s TRP 50 Cb -0.17 -1.20 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2hna s TRP 50 CO 0.05 0.43 0.02 -0.51 0.02 0.00 0.00 176.95 176.96 2hna s LEU 51 N -2.39 1.77 -0.02 2.99 1.43 -0.73 -2.41 118.68 119.32 2hna s LEU 51 Ca 0.18 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2hna s LEU 51 Cb -0.09 0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.19 2hna s LEU 51 CO 0.08 -0.03 -0.01 0.54 0.23 0.00 0.00 176.35 177.17 2hna s VAL 52 N 0.21 0.19 -0.57 -1.59 0.11 -0.33 -0.69 120.40 117.73 2hna s VAL 52 Ca -0.02 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 2hna s VAL 52 Cb -0.02 -0.25 0.26 0.00 -1.53 0.00 0.00 36.38 34.84 2hna s VAL 52 CO -0.01 0.12 0.72 -0.38 -3.33 0.00 0.00 175.10 172.23 2hna n ILE 53 N 3.86 1.70 -0.70 7.04 -0.00 -0.39 -1.08 119.36 129.78 2hna n ILE 53 Ca -0.24 -4.98 0.08 0.00 -0.00 0.00 0.00 62.75 57.61 2hna n ILE 53 Cb 0.52 -1.92 0.33 0.00 -0.00 0.00 0.00 39.64 38.58 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 0.81 4.67 -0.09 4.38 7.64 -1.24 -1.10 113.62 128.68 2hna n SER 54 Ca 0.28 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2hna n SER 54 Cb 0.44 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.70 0.00 -0.03 6.43 7.64 -1.25 -4.82 113.62 122.29 2hna n SER 55 Ca 0.24 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 2hna n SER 55 Cb 0.92 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.04 1.20 -0.37 0.44 1.35 -1.89 -2.37 112.91 111.32 2hna h THR 56 Ca 0.00 -0.64 -0.70 0.00 -0.55 0.00 0.00 66.41 64.52 2hna h THR 56 Cb 0.00 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 2hna h THR 56 CO 0.00 0.19 3.31 1.57 -0.25 0.00 0.00 175.52 180.33 2hna n HIS 57 N -4.85 2.64 -2.71 4.73 -0.00 -1.26 -2.83 115.22 110.94 2hna n HIS 57 Ca -0.06 -3.00 -0.07 0.00 -0.00 0.00 0.00 57.72 54.60 2hna n HIS 57 Cb 0.16 -2.31 0.10 0.00 -0.00 0.00 0.00 29.99 27.94 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hna n GLY 58 N 3.14 -0.17 3.95 1.57 0.00 -0.89 -4.07 105.19 108.72 2hna n GLY 58 Ca 0.69 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.73 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 0.49 -1.30 -1.36 4.61 0.00 -1.26 -4.89 120.51 116.80 2hna n ALA 59 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2hna n ALA 59 Cb 0.72 -4.33 0.00 0.00 0.00 0.00 0.00 19.45 15.84 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 -1.66 1.16 4.49 0.00 0.00 -1.13 -4.83 105.19 103.22 2hna n GLY 60 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.05 1.61 2.03 -1.26 -4.52 116.55 114.47 2hna n ASP 61 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2hna n ASP 61 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 0.51 -0.21 5.18 2.04 -1.89 -0.67 117.51 122.47 2hna h ILE 62 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.62 2hna h ILE 62 Cb 0.00 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 2hna h ILE 62 CO 0.00 0.00 -0.20 -0.81 0.00 0.00 0.00 178.15 177.14 2hna n PRO 63 N -5.33 2.01 -4.17 2.37 -0.04 -1.26 -4.57 135.00 124.00 2hna n PRO 63 Ca -0.05 -1.20 -0.34 0.00 -0.04 0.00 0.00 63.50 61.87 2hna n PRO 63 Cb 0.25 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.08 -3.03 0.00 3.54 2.03 -0.86 -2.36 116.55 117.95 2hna n ASP 64 Ca 0.41 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2hna n ASP 64 Cb 0.81 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.33 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 -2.71 0.00 -3.37 1.67 5.15 -0.31 -4.52 115.26 111.16 2hna n ASN 65 Ca 0.02 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.89 2hna n ASN 65 Cb 0.52 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.68 2hna n ASN 65 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2hna s LEU 66 N 0.00 -0.54 -0.08 1.20 2.34 -0.99 -4.42 118.68 116.19 2hna s LEU 66 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 54.13 54.18 2hna s LEU 66 Cb 0.00 0.95 -0.01 0.00 -0.56 0.00 0.00 46.19 46.58 2hna s LEU 66 CO 0.00 -0.32 -0.03 0.28 -1.06 0.00 0.00 176.35 175.22 2hna h SER 67 N 8.21 0.00 -0.60 1.48 0.02 -1.51 -3.22 113.55 117.92 2hna h SER 67 Ca -0.17 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 2hna h SER 67 Cb 1.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 2hna h SER 67 CO 0.28 0.39 0.03 1.55 -1.14 0.00 0.00 176.83 177.95 2hna h PRO 68 N -0.70 1.04 -0.01 3.45 0.13 -1.91 -3.03 132.00 130.97 2hna h PRO 68 Ca 0.00 -0.31 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2hna h PRO 68 Cb 0.09 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2hna h PRO 68 CO 0.00 1.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.52 2hna h PHE 69 N 0.94 0.02 -0.33 1.56 -1.00 -1.76 -0.53 116.94 115.83 2hna h PHE 69 Ca 0.17 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 2hna h PHE 69 Cb 0.51 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2hna h PHE 69 CO 0.04 0.18 0.12 -0.92 -1.61 0.00 0.00 178.31 176.12 2hna h TYR 70 N -0.16 0.51 -0.34 -0.55 3.20 -1.56 -0.65 116.97 117.42 2hna h TYR 70 Ca 0.00 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2hna h TYR 70 Cb 0.17 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2hna h TYR 70 CO -0.02 0.49 0.20 0.93 -1.64 0.00 0.00 178.16 178.12 2hna h GLU 71 N 0.38 0.46 0.00 1.82 5.08 -1.48 -2.49 114.58 118.35 2hna h GLU 71 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2hna h GLU 71 Cb 0.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2hna h GLU 71 CO -0.01 0.36 -0.11 0.00 -1.00 0.00 0.00 179.01 178.25 2hna h ALA 72 N 1.07 1.22 0.55 3.43 0.00 -0.77 0.11 119.26 124.88 2hna h ALA 72 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2hna h ALA 72 Cb 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hna h ALA 72 CO -0.02 0.14 -0.26 -0.07 0.00 0.00 0.00 179.25 179.03 2hna h LEU 73 N 0.00 -0.62 -0.30 0.00 3.38 -0.79 -3.35 115.31 113.63 2hna h LEU 73 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hna h LEU 73 Cb 0.35 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2hna h LEU 73 CO 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.27 2hna n GLN 74 N -4.92 0.15 -0.08 1.13 6.02 -0.92 -0.52 117.38 118.24 2hna n GLN 74 Ca -0.09 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.16 2hna n GLN 74 Cb 0.29 -1.73 0.22 0.00 1.02 0.00 0.00 30.24 30.04 2hna n GLN 74 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2hna h GLU 75 N 0.00 0.71 0.00 -1.09 4.81 -0.92 -3.37 114.58 114.72 2hna h GLU 75 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2hna h GLU 75 Cb 0.45 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2hna h GLU 75 CO 0.00 0.69 -0.96 0.00 -0.73 0.00 0.00 179.01 178.01 2hna n GLN 76 N -4.26 3.81 -2.99 1.92 10.64 -0.85 -5.07 117.38 120.58 2hna n GLN 76 Ca 0.03 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.12 2hna n GLN 76 Cb 0.25 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 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 -1.95 -0.49 -0.37 2.61 5.02 0.32 -4.91 118.16 118.39 2hna n LYS 77 Ca 0.00 0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 2hna n LYS 77 Cb 0.48 -0.54 0.27 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.24 -3.52 -2.60 1.97 -0.04 -1.26 -4.91 135.00 123.40 2hna n PRO 78 Ca -0.08 -1.02 -0.41 0.00 -0.04 0.00 0.00 63.50 61.94 2hna n PRO 78 Cb 0.19 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 2hna n PRO 78 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2hna s ASP 79 N -2.62 6.32 0.00 3.54 2.15 -1.26 -4.72 116.67 120.07 2hna s ASP 79 Ca 0.67 -0.97 0.17 0.00 0.43 0.00 0.00 52.55 52.86 2hna s ASP 79 Cb -0.20 -2.54 0.62 0.00 -0.30 0.00 0.00 42.92 40.50 2hna s ASP 79 CO 0.62 -1.64 1.45 0.18 -0.17 0.00 0.00 175.17 175.61 2hna n LEU 80 N 8.91 1.53 0.00 -1.34 7.99 -0.84 -4.33 117.00 128.91 2hna n LEU 80 Ca 0.15 -0.69 0.06 0.00 -0.01 0.00 0.00 56.01 55.53 2hna n LEU 80 Cb 0.49 -0.13 0.31 0.00 -0.11 0.00 0.00 43.42 43.99 2hna n LEU 80 CO 0.67 0.34 0.64 -1.54 -1.51 0.00 0.00 177.39 176.00 2hna n SER 81 N 0.26 0.00 -1.12 -1.43 3.41 -1.25 -0.99 113.62 112.51 2hna n SER 81 Ca 0.14 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 2hna n SER 81 Cb 0.29 -0.26 0.20 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.26 2.42 -2.45 7.33 0.00 -1.26 -4.96 120.51 120.32 2hna n ALA 82 Ca 0.06 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.36 2hna n ALA 82 Cb 0.09 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.51 1.32 0.07 0.00 0.11 -0.16 -2.97 120.40 117.27 2hna s VAL 83 Ca 0.37 -1.79 0.07 0.00 -2.93 0.00 0.00 61.98 57.70 2hna s VAL 83 Cb 0.22 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2hna s VAL 83 CO 0.31 -0.48 -0.15 0.00 -3.33 0.00 0.00 175.10 171.45 2hna s ARG 84 N -2.88 2.05 0.18 1.54 1.70 -1.19 -2.92 118.95 117.44 2hna s ARG 84 Ca 0.11 -1.02 0.08 0.00 -0.47 0.00 0.00 55.73 54.43 2hna s ARG 84 Cb -0.04 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 32.08 2hna s ARG 84 CO 0.03 0.52 -0.17 -0.59 -1.08 0.00 0.00 175.30 174.01 2hna s PHE 85 N -1.06 1.78 -0.15 5.89 -0.71 -0.12 -1.28 117.98 122.32 2hna s PHE 85 Ca 0.17 -0.50 -0.01 0.00 -1.04 0.00 0.00 56.93 55.56 2hna s PHE 85 Cb -0.11 -0.86 0.04 0.00 -1.21 0.00 0.00 43.02 40.88 2hna s PHE 85 CO 0.09 0.34 -0.06 0.20 -1.34 0.00 0.00 175.22 174.46 2hna s GLY 86 N -2.90 0.91 0.42 1.99 0.00 -1.01 -2.72 107.32 104.01 2hna s GLY 86 Ca 0.18 -0.74 -0.23 0.00 0.00 0.00 0.00 44.72 43.93 2hna s GLY 86 CO 0.07 0.92 1.08 0.00 0.00 0.00 0.00 173.10 175.17 2hna s ALA 87 N 1.66 3.04 -0.02 3.20 0.00 -1.26 -1.19 121.76 127.19 2hna s ALA 87 Ca 0.02 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 2hna s ALA 87 Cb -0.15 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2hna s ALA 87 CO -0.08 -0.35 0.03 0.42 0.00 0.00 0.00 175.76 175.78 2hna s ILE 88 N -1.65 -0.06 0.00 0.00 1.01 -0.24 -0.78 121.20 119.48 2hna s ILE 88 Ca 0.60 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2hna s ILE 88 Cb -0.24 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.15 2hna s ILE 88 CO 0.29 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2hna n GLY 89 N 4.25 1.28 3.72 6.18 0.00 0.48 -3.74 105.19 117.37 2hna n GLY 89 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 1.23 -0.71 -0.61 5.41 -1.26 -4.17 119.36 117.25 2hna n ILE 90 Ca 0.00 -0.31 0.03 0.00 1.00 0.00 0.00 62.75 63.47 2hna n ILE 90 Cb 0.00 -1.78 0.04 0.00 -0.71 0.00 0.00 39.64 37.19 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 1.80 2.37 0.00 7.39 0.00 -1.26 -4.78 105.19 110.71 2hna n GLY 91 Ca 0.08 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2hna n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 92 N -0.66 0.00 -3.36 1.61 7.64 -1.26 -4.06 113.62 113.54 2hna n SER 92 Ca 0.05 0.50 -0.09 0.00 1.01 0.00 0.00 58.87 60.34 2hna n SER 92 Cb 0.46 -0.50 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 2hna n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna s ARG 93 N -3.00 1.99 0.00 1.43 1.70 -1.25 -3.40 118.95 116.42 2hna s ARG 93 Ca 0.06 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 2hna s ARG 93 Cb 0.08 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.05 2hna s ARG 93 CO 0.23 -0.90 0.00 0.39 -1.08 0.00 0.00 175.30 173.94 2hna n GLU 94 N -0.50 0.00 0.00 3.89 1.02 -1.26 -4.05 120.64 119.74 2hna n GLU 94 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2hna n GLU 94 Cb 0.60 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 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 -0.76 0.00 -3.28 -0.32 4.01 -1.26 -4.99 117.16 110.56 2hna n TYR 95 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2hna n TYR 95 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2hna n TYR 95 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2hna s ASP 96 N -0.98 0.67 0.00 7.72 -1.08 -1.26 -5.01 116.67 116.73 2hna s ASP 96 Ca 0.00 -1.77 0.14 0.00 -0.52 0.00 0.00 52.55 50.41 2hna s ASP 96 Cb 0.00 0.69 0.85 0.00 -1.46 0.00 0.00 42.92 43.00 2hna s ASP 96 CO 0.00 -0.21 1.40 0.35 0.52 0.00 0.00 175.17 177.22 2hna n THR 97 N 3.88 0.00 0.31 1.71 -2.24 -1.26 -1.85 114.28 114.82 2hna n THR 97 Ca 0.15 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 2hna n THR 97 Cb 0.48 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.41 2hna n THR 97 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2hna h PHE 98 N 0.00 0.00 0.00 4.78 0.04 -1.94 -3.28 116.94 116.54 2hna h PHE 98 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2hna h PHE 98 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2hna h PHE 98 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2hna h GLY 100 N 4.25 0.00 1.86 0.00 0.00 -1.62 -1.42 103.07 106.14 2hna h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hna h GLY 100 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.60 2hna h ALA 101 N 1.76 1.05 0.00 3.60 0.00 -1.91 -1.85 119.26 121.91 2hna h ALA 101 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hna h ALA 101 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2hna h ALA 101 CO -0.00 -0.05 -0.13 0.44 0.00 0.00 0.00 179.25 179.51 2hna n ILE 102 N -2.50 1.33 1.73 0.00 -5.35 -0.54 -4.65 119.36 109.37 2hna n ILE 102 Ca -0.02 -1.58 0.14 0.00 -0.27 0.00 0.00 62.75 61.02 2hna n ILE 102 Cb 0.10 0.01 0.82 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.00 0.00 -0.33 7.28 5.75 -0.69 -4.43 116.55 123.12 2hna n ASP 103 Ca 0.11 -0.86 0.12 0.00 -0.01 0.00 0.00 54.79 54.14 2hna n ASP 103 Cb 0.63 -0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.02 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 0.67 0.75 0.11 1.57 -1.83 -0.80 116.57 117.04 2hna h LYS 104 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2hna h LYS 104 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2hna h LYS 104 CO 0.00 0.44 -0.39 1.25 -0.57 0.00 0.00 179.45 180.19 2hna h LEU 105 N 0.69 -0.93 -0.85 2.94 7.12 -1.98 -1.40 115.31 120.90 2hna h LEU 105 Ca 0.55 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.57 2hna h LEU 105 Cb 0.86 0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 41.20 2hna h LEU 105 CO -0.39 -0.64 0.43 -0.33 -0.13 0.00 0.00 178.44 177.37 2hna h GLU 106 N -1.04 1.21 0.06 1.25 5.08 -1.59 -1.79 114.58 117.76 2hna h GLU 106 Ca -0.10 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2hna h GLU 106 Cb 0.81 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2hna h GLU 106 CO 0.15 0.92 -0.11 0.00 -1.00 0.00 0.00 179.01 178.96 2hna h ALA 107 N 1.23 -0.17 -0.09 3.43 0.00 -1.10 -2.05 119.26 120.51 2hna h ALA 107 Ca 0.29 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2hna h ALA 107 Cb 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2hna h ALA 107 CO -0.04 -0.62 -0.49 0.93 0.00 0.00 0.00 179.25 179.03 2hna h GLU 108 N -0.22 0.23 -0.41 0.00 4.39 -0.94 -1.62 114.58 116.02 2hna h GLU 108 Ca 0.02 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2hna h GLU 108 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2hna h GLU 108 CO -0.07 0.68 0.17 -0.07 -1.16 0.00 0.00 179.01 178.56 2hna h LEU 109 N 0.19 0.56 -0.68 1.33 3.38 -1.05 0.12 115.31 119.15 2hna h LEU 109 Ca 0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2hna h LEU 109 Cb 0.94 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2hna h LEU 109 CO 0.08 0.56 0.02 0.11 0.09 0.00 0.00 178.44 179.30 2hna h LYS 110 N 0.52 1.04 -0.04 1.13 1.57 -1.19 -1.66 116.57 117.94 2hna h LYS 110 Ca 0.14 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 2hna h LYS 110 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2hna h LYS 110 CO -0.01 1.01 -0.33 -0.97 -0.57 0.00 0.00 179.45 178.58 2hna h ASN 111 N 0.96 0.08 1.81 0.86 -1.24 -1.06 -2.41 115.58 114.59 2hna h ASN 111 Ca 0.18 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2hna h ASN 111 Cb 0.52 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2hna h ASN 111 CO 0.03 0.40 -0.05 0.28 -1.29 0.00 0.00 177.43 176.80 2hna h SER 112 N 0.07 0.00 0.00 1.15 0.02 -0.27 -3.48 113.55 111.04 2hna h SER 112 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hna h SER 112 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2hna h SER 112 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2hna n GLY 113 N 1.16 1.43 3.75 -3.77 0.00 -0.70 -1.99 105.19 105.07 2hna n GLY 113 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.75 3.54 -0.01 4.61 0.00 -0.79 -3.78 121.76 124.58 2hna s ALA 114 Ca 0.00 1.22 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 2hna s ALA 114 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2hna s ALA 114 CO 0.00 -0.62 0.71 -1.59 0.00 0.00 0.00 175.76 174.25 2hna s LYS 115 N -0.87 4.44 -0.61 0.00 -2.85 -1.15 -4.01 119.74 114.69 2hna s LYS 115 Ca 0.54 0.93 -0.24 0.00 -1.00 0.00 0.00 55.97 56.20 2hna s LYS 115 Cb -0.39 -3.39 0.05 0.00 -2.06 0.00 0.00 37.83 32.03 2hna s LYS 115 CO 0.45 0.21 1.01 -1.14 0.10 0.00 0.00 175.35 175.98 2hna s GLN 116 N 0.27 3.25 0.47 1.78 0.74 -1.26 -0.95 119.66 123.96 2hna s GLN 116 Ca 0.37 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 55.17 2hna s GLN 116 Cb -0.19 -4.12 -0.09 0.00 1.10 0.00 0.00 33.01 29.71 2hna s GLN 116 CO 0.20 -1.69 1.00 0.99 -0.55 0.00 0.00 175.29 175.24 2hna s THR 117 N 4.29 4.05 0.00 -0.34 2.01 -1.10 -4.74 115.64 119.80 2hna s THR 117 Ca 0.29 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.55 2hna s THR 117 Cb -0.13 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2hna s THR 117 CO 0.16 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2hna n GLY 118 N -0.46 1.08 3.85 4.40 0.00 -1.26 -4.71 105.19 108.09 2hna n GLY 118 Ca 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 2hna n GLY 118 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hna s GLU 119 N 0.00 1.36 0.19 1.61 -1.05 -1.26 -5.13 118.70 114.41 2hna s GLU 119 Ca 0.00 -0.85 -0.31 0.00 -0.15 0.00 0.00 54.97 53.65 2hna s GLU 119 Cb 0.00 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.98 2hna s GLU 119 CO 0.00 -0.63 1.57 0.99 0.95 0.00 0.00 175.26 178.14 2hna s THR 120 N -2.41 2.52 0.28 1.83 2.01 -1.26 -4.72 115.64 113.89 2hna s THR 120 Ca 0.19 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 2hna s THR 120 Cb -0.02 -3.25 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 2hna s THR 120 CO 0.05 0.04 1.11 -0.22 -0.69 0.00 0.00 174.62 174.91 2hna s LEU 121 N 0.83 4.54 -0.01 4.42 0.20 0.04 -4.95 118.68 123.75 2hna s LEU 121 Ca 0.69 2.30 0.04 0.00 0.69 0.00 0.00 54.13 57.85 2hna s LEU 121 Cb -0.44 -3.63 -0.01 0.00 -0.43 0.00 0.00 46.19 41.68 2hna s LEU 121 CO 0.34 -0.17 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.55 2hna s LYS 122 N -1.46 1.12 0.20 1.98 1.02 -1.26 -0.38 119.74 120.95 2hna s LYS 122 Ca 0.45 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 2hna s LYS 122 Cb -0.33 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 2hna s LYS 122 CO 0.42 0.29 0.11 0.96 -0.92 0.00 0.00 175.35 176.21 2hna s ILE 123 N -0.30 0.11 0.05 2.17 -0.00 -1.26 -0.71 121.20 121.27 2hna s ILE 123 Ca 0.05 -1.99 -0.02 0.00 -0.00 0.00 0.00 60.65 58.69 2hna s ILE 123 Cb -0.05 -2.44 -0.03 0.00 -0.00 0.00 0.00 42.46 39.93 2hna s ILE 123 CO -0.00 -0.08 0.01 0.20 -0.00 0.00 0.00 174.94 175.07 2hna s ASN 124 N -3.17 0.37 0.19 4.36 0.02 -1.26 -4.13 114.94 111.32 2hna s ASN 124 Ca 0.36 -0.83 0.02 0.00 -1.02 0.00 0.00 52.86 51.39 2hna s ASN 124 Cb 0.07 0.21 -0.05 0.00 0.02 0.00 0.00 41.25 41.50 2hna s ASN 124 CO 0.11 -0.56 0.02 0.27 0.02 0.00 0.00 177.10 176.95 2hna s ILE 125 N -3.41 0.68 0.38 0.60 -4.36 -1.14 -5.01 121.20 108.94 2hna s ILE 125 Ca 0.02 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.47 2hna s ILE 125 Cb 0.04 -2.22 0.26 0.00 1.25 0.00 0.00 42.46 41.80 2hna s ILE 125 CO -0.08 -0.39 2.03 0.25 0.24 0.00 0.00 174.94 177.00 2hna h LEU 126 N 2.63 0.60 -0.35 0.37 5.85 -2.03 -3.00 115.31 119.38 2hna h LEU 126 Ca -0.37 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 2hna h LEU 126 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2hna h LEU 126 CO 0.62 0.44 0.07 -0.78 -0.34 0.00 0.00 178.44 178.45 2hna h ASP 127 N 0.71 0.55 -4.50 1.25 3.58 -2.07 -3.47 116.42 112.48 2hna h ASP 127 Ca 0.19 -0.25 0.11 0.00 0.42 0.00 0.00 57.03 57.51 2hna h ASP 127 Cb -0.08 -0.15 -0.17 0.00 1.72 0.00 0.00 39.33 40.65 2hna h ASP 127 CO -0.04 0.66 0.53 -2.28 -2.88 0.00 0.00 179.24 175.23 2hna s HIS 128 N -5.23 -0.33 0.56 0.28 2.46 -1.13 -5.16 115.29 106.73 2hna s HIS 128 Ca -0.13 0.30 -0.18 0.00 0.47 0.00 0.00 55.06 55.52 2hna s HIS 128 Cb 0.09 0.52 -0.05 0.00 -0.13 0.00 0.00 32.58 33.01 2hna s HIS 128 CO 0.76 -0.47 1.07 0.16 -2.47 0.00 0.00 174.74 173.80 2hna s ASP 129 N -2.15 5.84 0.00 9.88 -4.77 -1.26 -2.88 116.67 121.33 2hna s ASP 129 Ca 0.04 1.95 0.00 0.00 -3.30 0.00 0.00 52.55 51.24 2hna s ASP 129 Cb -0.01 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 2hna s ASP 129 CO -0.06 -1.13 0.00 -0.38 0.70 0.00 0.00 175.17 174.30 2hna n ILE 130 N -1.61 0.00 0.08 2.11 2.08 -1.26 -4.92 119.36 115.85 2hna n ILE 130 Ca 0.10 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.29 2hna n ILE 130 Cb 0.52 -0.26 -0.08 0.00 -0.75 0.00 0.00 39.64 39.07 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 -0.25 0.00 0.38 0.13 -1.74 -3.43 132.00 127.09 2hna h PRO 131 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2hna h PRO 131 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2hna h PRO 131 CO 0.00 0.15 0.00 -1.91 -0.23 0.00 0.00 178.00 176.01 2hna n GLU 132 N -4.99 0.00 -3.71 0.86 4.07 -1.26 -4.92 120.64 110.70 2hna n GLU 132 Ca -0.08 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.88 2hna n GLU 132 Cb 0.26 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.55 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2hna s ASP 133 N -2.00 -0.44 0.78 4.31 2.15 -1.26 -4.95 116.67 115.26 2hna s ASP 133 Ca 0.00 0.75 -0.11 0.00 0.43 0.00 0.00 52.55 53.62 2hna s ASP 133 Cb 0.00 0.79 0.06 0.00 -0.30 0.00 0.00 42.92 43.47 2hna s ASP 133 CO 0.00 -0.25 1.08 -2.16 -0.17 0.00 0.00 175.17 173.67 2hna s PRO 134 N -0.18 2.25 -0.34 4.34 0.04 -1.26 -4.47 135.00 135.39 2hna s PRO 134 Ca -0.04 0.86 0.15 0.00 0.04 0.00 0.00 61.00 62.02 2hna s PRO 134 Cb -0.03 -1.92 0.44 0.00 0.04 0.00 0.00 34.50 33.03 2hna s PRO 134 CO 0.02 -1.56 1.19 0.00 0.04 0.00 0.00 177.00 176.69 2hna n ALA 135 N -3.43 2.52 0.31 8.56 0.00 0.11 -4.89 120.51 123.69 2hna n ALA 135 Ca 0.08 -2.19 0.17 0.00 0.00 0.00 0.00 53.44 51.49 2hna n ALA 135 Cb 0.55 -0.93 0.91 0.00 0.00 0.00 0.00 19.45 19.98 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 2.34 0.00 -0.16 0.00 4.11 -1.96 -1.19 114.58 117.72 2hna h GLU 136 Ca -0.21 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.26 2hna h GLU 136 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2hna h GLU 136 CO 0.17 0.00 0.27 0.93 0.07 0.00 0.00 179.01 180.45 2hna h GLU 137 N 0.00 0.00 -0.65 1.06 3.07 -1.94 -2.35 114.58 113.77 2hna h GLU 137 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 2hna h GLU 137 Cb 0.34 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.13 2hna h GLU 137 CO 0.00 0.00 -0.45 2.35 -1.40 0.00 0.00 179.01 179.51 2hna h TRP 138 N 0.00 -1.32 0.27 4.33 7.01 -1.62 -0.69 115.95 123.93 2hna h TRP 138 Ca 0.07 0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.17 2hna h TRP 138 Cb 0.61 0.67 -0.04 0.00 -2.10 0.00 0.00 29.16 28.30 2hna h TRP 138 CO 0.00 -0.42 -0.49 1.25 -2.79 0.00 0.00 178.44 175.99 2hna h LEU 139 N -0.19 -1.41 -0.01 0.65 7.12 -1.67 0.18 115.31 119.98 2hna h LEU 139 Ca 0.19 0.14 0.02 0.00 0.13 0.00 0.00 57.88 58.35 2hna h LEU 139 Cb 0.55 0.50 -0.02 0.00 -0.53 0.00 0.00 40.66 41.17 2hna h LEU 139 CO -0.74 -0.58 -0.08 1.23 -0.13 0.00 0.00 178.44 178.14 2hna h GLY 140 N -0.82 -0.08 0.81 3.75 0.00 -1.65 -0.72 103.07 104.36 2hna h GLY 140 Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2hna h GLY 140 CO -0.19 -0.09 0.02 0.23 0.00 0.00 0.00 176.54 176.52 2hna h SER 141 N -0.13 0.23 -0.81 0.19 0.87 -0.85 -0.37 113.55 112.68 2hna h SER 141 Ca 0.04 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2hna h SER 141 Cb 0.18 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2hna h SER 141 CO -0.09 0.44 0.50 -0.25 -0.53 0.00 0.00 176.83 176.90 2hna h TRP 142 N 0.02 1.05 -0.04 2.24 7.01 -0.57 0.21 115.95 125.88 2hna h TRP 142 Ca 0.04 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2hna h TRP 142 Cb 0.30 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 2hna h TRP 142 CO 0.02 0.69 -0.00 0.28 -2.79 0.00 0.00 178.44 176.64 2hna h VAL 143 N 1.10 0.97 -0.03 2.65 2.07 -0.94 -0.65 116.25 121.43 2hna h VAL 143 Ca 0.29 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 2hna h VAL 143 Cb -0.06 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2hna h VAL 143 CO -0.06 0.00 -0.04 0.78 0.02 0.00 0.00 177.57 178.27 2hna h ASN 144 N 0.01 0.04 0.01 0.57 2.35 -0.22 -0.70 115.58 117.63 2hna h ASN 144 Ca 0.02 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2hna h ASN 144 Cb 0.02 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.39 2hna h ASN 144 CO -0.03 0.09 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.43 2hna h LEU 145 N 0.04 0.29 -0.49 1.61 4.07 -0.55 -3.33 115.31 116.95 2hna h LEU 145 Ca 0.01 -0.79 -0.17 0.00 0.08 0.00 0.00 57.88 57.01 2hna h LEU 145 Cb 0.11 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2hna h LEU 145 CO 0.01 1.05 -0.74 0.17 -1.08 0.00 0.00 178.44 177.84 2hna h LEU 146 N -0.43 0.19 0.00 1.67 8.10 -0.88 -3.51 115.31 120.44 2hna h LEU 146 Ca -0.04 -0.13 0.00 0.00 0.11 0.00 0.00 57.88 57.81 2hna h LEU 146 Cb 1.11 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2hna h LEU 146 CO 0.07 0.86 0.00 0.29 -4.11 0.00 0.00 178.44 175.55