#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 -0.48 -0.03 3.04 0.00 -1.26 -4.54 121.76 118.49 2hna s ALA 2 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2hna s ALA 2 Cb 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 23.12 23.53 2hna s ALA 2 CO 0.00 -0.54 0.14 -3.47 0.00 0.00 0.00 175.76 171.89 2hna n ASP 3 N -0.06 2.96 -3.83 0.00 2.03 0.64 -4.92 116.55 113.36 2hna n ASP 3 Ca -0.16 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.93 2hna n ASP 3 Cb 0.63 1.19 -0.17 0.00 -0.72 0.00 0.00 41.12 42.04 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 -2.49 0.55 -0.08 5.18 1.01 -1.13 -2.85 121.20 121.39 2hna s ILE 4 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 2hna s ILE 4 Cb 0.05 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 2hna s ILE 4 CO 0.36 0.27 0.77 0.28 0.00 0.00 0.00 174.94 176.63 2hna s THR 5 N 1.61 4.98 -0.63 2.92 -1.32 -1.12 -2.07 115.64 120.01 2hna s THR 5 Ca 0.00 1.58 -0.12 0.00 -1.21 0.00 0.00 61.69 61.95 2hna s THR 5 Cb -0.13 -4.11 0.16 0.00 -1.51 0.00 0.00 72.50 66.92 2hna s THR 5 CO -0.04 0.19 0.55 -0.76 -2.21 0.00 0.00 174.62 172.34 2hna s LEU 6 N 1.13 6.14 -1.19 9.08 2.01 -0.44 -1.69 118.68 133.72 2hna s LEU 6 Ca 0.40 -2.27 -0.18 0.00 0.01 0.00 0.00 54.13 52.08 2hna s LEU 6 Cb -0.18 -2.11 0.09 0.00 0.01 0.00 0.00 46.19 44.00 2hna s LEU 6 CO 0.19 -0.66 1.56 -0.63 1.01 0.00 0.00 176.35 177.82 2hna s ILE 7 N 0.83 4.31 -0.09 -0.59 1.01 0.46 -1.75 121.20 125.37 2hna s ILE 7 Ca 0.11 -1.77 0.01 0.00 0.00 0.00 0.00 60.65 59.00 2hna s ILE 7 Cb -0.21 -5.07 0.12 0.00 0.01 0.00 0.00 42.46 37.30 2hna s ILE 7 CO -0.03 -1.88 1.34 -1.20 0.00 0.00 0.00 174.94 173.16 2hna n SER 8 N 7.81 3.66 -3.86 3.58 7.64 0.13 -0.96 113.62 131.62 2hna n SER 8 Ca 0.41 -2.37 -0.10 0.00 1.01 0.00 0.00 58.87 57.81 2hna n SER 8 Cb 0.47 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.71 0.06 0.00 0.23 0.00 -1.12 -3.18 107.32 104.01 2hna s GLY 9 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2hna s GLY 9 CO 0.02 -0.54 0.00 -1.14 0.00 0.00 0.00 173.10 171.44 2hna n SER 10 N 0.58 1.62 -2.57 1.64 3.41 0.15 -4.75 113.62 113.70 2hna n SER 10 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.26 2hna n SER 10 Cb 0.59 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.71 1.65 -3.92 6.66 -2.24 -1.26 -3.19 114.28 110.27 2hna n THR 11 Ca 0.00 -3.92 -0.29 0.00 -2.27 0.00 0.00 64.05 57.57 2hna n THR 11 Cb 0.19 -0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.27 -2.51 0.00 3.22 7.94 -1.26 -4.91 117.00 119.20 2hna n LEU 12 Ca 0.23 -0.83 0.00 0.00 -1.11 0.00 0.00 56.01 54.30 2hna n LEU 12 Cb 0.75 -2.49 0.00 0.00 0.53 0.00 0.00 43.42 42.21 2hna n LEU 12 CO 0.29 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 177.62 2hna n GLY 13 N -1.66 1.77 0.00 -3.96 0.00 -1.26 -5.07 105.19 95.02 2hna n GLY 13 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.44 -0.56 1.93 -0.02 0.00 -1.19 -0.67 105.19 104.23 2hna n GLY 14 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 4.51 -0.22 4.61 0.00 -1.19 -4.67 120.51 123.54 2hna n ALA 15 Ca 0.00 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.71 2hna n ALA 15 Cb 0.00 -1.90 0.47 0.00 0.00 0.00 0.00 19.45 18.02 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 2.94 0.47 -0.40 0.00 5.08 -1.88 -0.53 114.58 120.25 2hna h GLU 16 Ca 0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2hna h GLU 16 Cb 1.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2hna h GLU 16 CO 0.18 0.31 0.24 -0.92 -1.00 0.00 0.00 179.01 177.82 2hna h TYR 17 N 0.48 0.53 -0.16 4.33 3.20 -1.95 0.85 116.97 124.25 2hna h TYR 17 Ca 0.42 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 62.09 2hna h TYR 17 Cb 0.92 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.02 2hna h TYR 17 CO -0.00 0.39 -0.67 0.28 -1.64 0.00 0.00 178.16 176.51 2hna h VAL 18 N 0.53 1.30 -0.60 1.81 2.07 -1.74 -3.05 116.25 116.57 2hna h VAL 18 Ca 0.14 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2hna h VAL 18 Cb 0.01 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2hna h VAL 18 CO -0.03 0.60 0.32 0.00 0.02 0.00 0.00 177.57 178.47 2hna h ALA 19 N 0.55 1.43 -0.58 1.67 0.00 -0.88 -0.40 119.26 121.06 2hna h ALA 19 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2hna h ALA 19 Cb 1.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2hna h ALA 19 CO 0.14 0.46 0.10 1.49 0.00 0.00 0.00 179.25 181.44 2hna h GLU 20 N 0.83 0.96 -0.32 0.00 4.81 -0.81 0.10 114.58 120.15 2hna h GLU 20 Ca 0.21 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2hna h GLU 20 Cb 0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2hna h GLU 20 CO -0.03 0.91 0.07 1.25 -0.73 0.00 0.00 179.01 180.47 2hna h HIS 21 N 0.86 0.54 -0.09 0.92 2.76 -1.29 -1.31 115.15 117.55 2hna h HIS 21 Ca 0.18 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2hna h HIS 21 Cb 0.41 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2hna h HIS 21 CO 0.03 0.57 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.06 2hna h LEU 22 N 0.35 -0.32 -0.44 0.26 3.38 -0.95 -1.78 115.31 115.81 2hna h LEU 22 Ca 0.10 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.22 2hna h LEU 22 Cb 0.31 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 2hna h LEU 22 CO 0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 178.44 178.29 2hna h ALA 23 N 0.91 0.31 0.23 1.53 0.00 -0.67 -0.73 119.26 120.84 2hna h ALA 23 Ca 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hna h ALA 23 Cb 0.24 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2hna h ALA 23 CO -0.17 -0.44 -0.19 1.49 0.00 0.00 0.00 179.25 179.94 2hna h GLU 24 N 0.01 -0.42 -0.83 0.00 4.57 -0.81 -1.02 114.58 116.09 2hna h GLU 24 Ca 0.21 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2hna h GLU 24 Cb 0.33 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 2hna h GLU 24 CO -0.44 -0.28 0.55 0.87 -1.18 0.00 0.00 179.01 178.52 2hna h LYS 25 N -0.43 0.99 0.00 1.92 1.79 -1.05 -0.92 116.57 118.86 2hna h LYS 25 Ca -0.01 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 2hna h LYS 25 Cb 0.39 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2hna h LYS 25 CO -0.02 0.65 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.62 2hna h LEU 26 N 1.02 0.00 -0.23 2.94 4.07 -0.69 -0.44 115.31 121.98 2hna h LEU 26 Ca 0.33 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.19 2hna h LEU 26 Cb 0.05 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2hna h LEU 26 CO -0.10 0.32 -0.26 -0.33 -1.08 0.00 0.00 178.44 176.99 2hna h GLU 27 N 0.00 0.58 0.00 1.13 5.08 0.10 -3.03 114.58 118.44 2hna h GLU 27 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2hna h GLU 27 Cb 0.73 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2hna h GLU 27 CO 0.04 0.91 -0.03 0.93 -1.00 0.00 0.00 179.01 179.86 2hna h GLU 28 N 0.28 0.00 0.00 2.33 4.39 -0.90 -0.32 114.58 120.36 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 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2hna h GLU 28 CO 0.06 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 2hna h ALA 29 N 1.97 1.00 0.00 3.43 0.00 -0.96 -3.46 119.26 121.24 2hna h ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hna h ALA 29 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2hna h ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2hna n GLY 30 N -0.08 0.78 0.00 0.00 0.00 -0.16 -5.06 105.19 100.67 2hna n GLY 30 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -4.18 1.61 3.72 -1.01 -5.06 117.46 112.55 2hna n PHE 31 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 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 -0.91 1.09 0.07 4.37 -4.23 -1.26 -4.35 115.64 110.42 2hna s THR 32 Ca 0.00 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 2hna s THR 32 Cb 0.00 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 2hna s THR 32 CO 0.00 -0.32 0.10 0.42 -0.54 0.00 0.00 174.62 174.28 2hna s THR 33 N -1.62 0.17 -0.23 3.99 -4.23 -1.26 -0.26 115.64 112.20 2hna s THR 33 Ca 0.01 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2hna s THR 33 Cb -0.08 -1.39 0.07 0.00 1.34 0.00 0.00 72.50 72.44 2hna s THR 33 CO 0.02 -0.79 0.05 -0.70 -0.54 0.00 0.00 174.62 172.67 2hna s GLU 34 N -3.83 0.67 -0.20 3.99 -6.30 -0.88 -4.86 118.70 107.29 2hna s GLU 34 Ca 0.05 -0.59 -0.29 0.00 -2.50 0.00 0.00 54.97 51.65 2hna s GLU 34 Cb 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 34.13 32.15 2hna s GLU 34 CO -0.10 -0.74 1.12 0.99 0.02 0.00 0.00 175.26 176.55 2hna s THR 35 N 1.81 4.53 -0.10 -1.70 2.01 -1.26 -1.33 115.64 119.59 2hna s THR 35 Ca 0.02 1.84 -0.08 0.00 0.31 0.00 0.00 61.69 63.78 2hna s THR 35 Cb -0.17 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.18 2hna s THR 35 CO -0.14 -0.16 0.26 -0.76 -0.69 0.00 0.00 174.62 173.13 2hna s LEU 36 N 3.28 0.86 -0.08 4.42 1.43 -0.72 -4.99 118.68 122.88 2hna s LEU 36 Ca 0.48 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 2hna s LEU 36 Cb -0.18 0.85 0.02 0.00 0.03 0.00 0.00 46.19 46.92 2hna s LEU 36 CO 0.10 -0.11 2.22 0.00 0.23 0.00 0.00 176.35 178.78 2hna n HIS 37 N 3.27 0.38 -4.14 0.29 1.44 -1.26 0.17 115.22 115.38 2hna n HIS 37 Ca -0.16 -1.30 -0.37 0.00 -2.01 0.00 0.00 57.72 53.88 2hna n HIS 37 Cb 0.57 -0.75 -0.04 0.00 0.12 0.00 0.00 29.99 29.89 2hna n HIS 37 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hna n GLY 38 N 1.35 -0.45 0.30 -1.39 0.00 -1.26 -4.51 105.19 99.22 2hna n GLY 38 Ca 0.13 0.24 0.19 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.97 0.00 -0.06 1.61 0.13 -1.99 -1.27 132.00 128.44 2hna h PRO 39 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2hna h PRO 39 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2hna h PRO 39 CO 0.57 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 2hna n LEU 40 N -3.12 2.45 0.00 1.56 4.77 -1.26 -4.99 117.00 116.41 2hna n LEU 40 Ca -0.01 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 2hna n LEU 40 Cb 0.22 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2hna n LEU 40 CO 0.25 0.63 0.00 -0.11 -1.33 0.00 0.00 177.39 176.83 2hna n LEU 41 N -0.78 0.00 -3.10 2.23 7.94 -0.48 -4.60 117.00 118.21 2hna n LEU 41 Ca 0.10 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.02 2hna n LEU 41 Cb 0.50 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.44 2hna n LEU 41 CO 0.03 0.00 0.22 -1.83 -1.11 0.00 0.00 177.39 174.70 2hna s GLU 42 N 0.00 0.55 0.10 1.96 -1.05 -1.26 -4.88 118.70 114.11 2hna s GLU 42 Ca 0.00 0.01 -0.16 0.00 -0.15 0.00 0.00 54.97 54.68 2hna s GLU 42 Cb 0.00 0.11 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 2hna s GLU 42 CO 0.00 -0.86 1.48 0.22 0.95 0.00 0.00 175.26 177.05 2hna h ASP 43 N 6.93 0.65 -4.17 0.83 3.58 -1.96 -3.43 116.42 118.85 2hna h ASP 43 Ca 0.00 -0.40 -0.47 0.00 0.42 0.00 0.00 57.03 56.58 2hna h ASP 43 Cb 1.19 -0.18 0.02 0.00 1.72 0.00 0.00 39.33 42.08 2hna h ASP 43 CO 0.05 0.90 0.36 -0.76 -2.88 0.00 0.00 179.24 176.91 2hna s LEU 44 N -9.21 3.63 0.00 2.28 1.43 -1.26 -5.08 118.68 110.47 2hna s LEU 44 Ca -0.13 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2hna s LEU 44 Cb 0.09 -4.48 0.12 0.00 0.03 0.00 0.00 46.19 41.95 2hna s LEU 44 CO 0.80 -0.58 0.38 -0.81 0.23 0.00 0.00 176.35 176.37 2hna n PRO 45 N -1.57 -2.25 0.00 1.29 -0.04 -1.26 -4.86 135.00 126.32 2hna n PRO 45 Ca 0.06 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2hna n PRO 45 Cb 0.54 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -3.82 2.05 -3.45 0.55 0.00 -1.26 -4.62 120.51 109.95 2hna n ALA 46 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 2hna n ALA 46 Cb 0.22 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 0.99 -0.49 0.00 0.00 0.01 -1.26 -3.84 113.70 109.11 2hna s SER 47 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2hna s SER 47 Cb 0.00 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.11 2hna s SER 47 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 2hna n GLY 48 N 3.28 0.24 3.23 3.44 0.00 -1.18 -4.91 105.19 109.28 2hna n GLY 48 Ca -0.16 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -1.63 1.66 -0.05 -0.61 -1.09 -1.13 -3.21 121.20 115.14 2hna s ILE 49 Ca 0.00 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 57.58 2hna s ILE 49 Cb 0.00 -1.38 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 2hna s ILE 49 CO 0.00 0.47 -0.22 0.26 -1.23 0.00 0.00 174.94 174.22 2hna s TRP 50 N -0.48 2.19 -0.00 3.97 0.52 -0.20 -2.79 118.94 122.15 2hna s TRP 50 Ca 0.08 -0.66 0.05 0.00 0.02 0.00 0.00 56.10 55.59 2hna s TRP 50 Cb -0.08 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2hna s TRP 50 CO -0.01 -0.21 -0.15 -0.51 0.02 0.00 0.00 176.95 176.10 2hna s LEU 51 N -0.08 2.05 -0.07 2.99 1.43 -0.68 -1.93 118.68 122.39 2hna s LEU 51 Ca -0.04 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2hna s LEU 51 Cb -0.13 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 2hna s LEU 51 CO 0.03 0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 175.85 2hna s VAL 52 N -0.40 2.13 -0.13 -1.59 1.01 -0.11 -0.41 120.40 120.89 2hna s VAL 52 Ca 0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2hna s VAL 52 Cb -0.06 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.59 2hna s VAL 52 CO -0.00 0.57 0.05 -0.63 0.00 0.00 0.00 175.10 175.09 2hna s ILE 53 N -0.08 0.16 0.00 2.22 1.09 -0.14 -0.62 121.20 123.83 2hna s ILE 53 Ca -0.06 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 2hna s ILE 53 Cb -0.14 -0.61 0.00 0.00 -1.06 0.00 0.00 42.46 40.65 2hna s ILE 53 CO 0.04 -0.07 0.00 -1.20 -0.10 0.00 0.00 174.94 173.61 2hna n SER 54 N 5.20 0.00 -3.77 3.58 7.64 -1.05 -2.81 113.62 122.40 2hna n SER 54 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.69 2hna n SER 54 Cb 0.49 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 2hna n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hna s SER 55 N 2.00 -0.29 0.00 6.43 0.01 -1.26 -2.11 113.70 118.48 2hna s SER 55 Ca 0.00 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2hna s SER 55 Cb 0.00 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2hna s SER 55 CO 0.00 -0.10 0.02 0.35 0.41 0.00 0.00 173.24 173.91 2hna n THR 56 N 3.09 0.00 -1.67 1.44 -2.24 -1.25 -4.88 114.28 108.76 2hna n THR 56 Ca -0.14 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2hna n THR 56 Cb 0.58 1.32 0.03 0.00 -2.10 0.00 0.00 70.33 70.15 2hna n THR 56 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2hna n HIS 57 N -0.06 1.67 0.00 4.78 -0.00 -1.24 -3.78 115.22 116.58 2hna n HIS 57 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 2hna n HIS 57 Cb 0.08 -2.29 0.00 0.00 -0.00 0.00 0.00 29.99 27.78 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 0.99 -0.98 0.31 1.57 0.00 -1.26 -4.61 105.19 101.20 2hna n GLY 58 Ca 0.10 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.17 2hna n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna h ALA 59 N 0.00 1.93 -0.65 4.61 0.00 -1.97 -3.48 119.26 119.70 2hna h ALA 59 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hna h ALA 59 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hna h ALA 59 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2hna n GLY 60 N -1.52 2.26 3.28 0.00 0.00 -1.26 -4.81 105.19 103.15 2hna n GLY 60 Ca 0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 2hna n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hna s ASP 61 N -4.00 0.13 0.24 1.61 2.15 -0.75 -4.83 116.67 111.22 2hna s ASP 61 Ca 0.00 -1.10 -0.05 0.00 0.43 0.00 0.00 52.55 51.83 2hna s ASP 61 Cb 0.00 0.40 0.45 0.00 -0.30 0.00 0.00 42.92 43.48 2hna s ASP 61 CO 0.00 -0.87 1.68 0.40 -0.17 0.00 0.00 175.17 176.21 2hna h ILE 62 N 2.62 0.49 0.00 4.11 1.08 -1.95 0.25 117.51 124.10 2hna h ILE 62 Ca -0.33 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2hna h ILE 62 Cb 1.23 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2hna h ILE 62 CO 0.51 0.04 0.00 -0.81 -0.69 0.00 0.00 178.15 177.20 2hna n PRO 63 N -5.19 0.27 0.00 2.37 -0.04 -1.26 -4.83 135.00 126.32 2hna n PRO 63 Ca 0.14 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2hna n PRO 63 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.25 0.00 0.00 3.54 -0.08 0.07 -4.38 116.55 114.45 2hna n ASP 64 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2hna n ASP 64 Cb 0.12 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.58 2hna n ASP 64 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2hna n ASN 65 N 0.00 0.00 -4.76 1.67 2.85 -1.21 -1.81 115.26 112.00 2hna n ASN 65 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 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 -0.76 -2.11 0.00 0.00 177.26 174.39 2hna s LEU 66 N 0.00 3.95 0.08 1.20 1.02 -1.26 -4.66 118.68 119.00 2hna s LEU 66 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 54.13 56.69 2hna s LEU 66 Cb 0.00 -4.24 0.00 0.00 0.02 0.00 0.00 46.19 41.97 2hna s LEU 66 CO 0.00 -1.21 0.00 -1.20 0.02 0.00 0.00 176.35 173.96 2hna n SER 67 N -0.70 0.62 -0.17 2.29 7.64 -1.19 -4.51 113.62 117.59 2hna n SER 67 Ca 0.08 0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.99 2hna n SER 67 Cb 0.46 -0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.55 2hna n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2hna h PRO 68 N 0.00 0.99 0.04 1.43 0.13 -1.94 -1.79 132.00 130.85 2hna h PRO 68 Ca 0.00 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2hna h PRO 68 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2hna h PRO 68 CO 0.00 1.02 -0.02 0.74 -0.23 0.00 0.00 178.00 179.51 2hna h PHE 69 N 0.89 -0.04 -0.10 1.56 0.04 -1.89 -1.83 116.94 115.56 2hna h PHE 69 Ca 0.15 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 2hna h PHE 69 Cb 0.63 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 2hna h PHE 69 CO 0.04 -0.01 0.05 -0.92 -0.60 0.00 0.00 178.31 176.87 2hna h TYR 70 N -0.06 0.13 -0.40 -0.55 3.20 -1.69 0.45 116.97 118.05 2hna h TYR 70 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2hna h TYR 70 Cb 0.05 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2hna h TYR 70 CO -0.07 0.14 0.24 0.93 -1.64 0.00 0.00 178.16 177.76 2hna h GLU 71 N 0.08 0.54 -0.10 1.82 5.08 -1.34 -2.20 114.58 118.46 2hna h GLU 71 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2hna h GLU 71 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2hna h GLU 71 CO -0.01 0.41 -0.18 0.00 -1.00 0.00 0.00 179.01 178.23 2hna h ALA 72 N 1.10 1.52 0.68 3.43 0.00 -1.03 -1.12 119.26 123.85 2hna h ALA 72 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2hna h ALA 72 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2hna h ALA 72 CO -0.03 0.35 -0.33 -0.07 0.00 0.00 0.00 179.25 179.18 2hna h LEU 73 N 0.15 -0.77 -2.08 0.00 3.38 -0.46 -3.16 115.31 112.37 2hna h LEU 73 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2hna h LEU 73 Cb 0.41 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2hna h LEU 73 CO 0.03 -0.45 -0.08 1.56 0.09 0.00 0.00 178.44 179.58 2hna h GLN 74 N -1.08 0.00 -0.24 1.13 4.20 -1.18 0.27 115.11 118.21 2hna h GLN 74 Ca -0.09 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2hna h GLN 74 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2hna h GLN 74 CO 0.15 0.08 -0.15 1.49 -0.67 0.00 0.00 178.83 179.74 2hna h GLU 75 N 0.00 0.41 0.00 1.46 4.81 -1.17 -3.36 114.58 116.73 2hna h GLU 75 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2hna h GLU 75 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2hna h GLU 75 CO 0.01 0.56 -0.83 0.00 -0.73 0.00 0.00 179.01 178.02 2hna n GLN 76 N -4.20 1.89 -3.41 1.92 10.64 -0.96 -5.07 117.38 118.18 2hna n GLN 76 Ca 0.00 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 2hna n GLN 76 Cb 0.32 -0.91 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 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 -1.43 -0.72 -0.70 2.61 5.02 0.91 -4.84 118.16 119.01 2hna n LYS 77 Ca 0.00 0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 2hna n LYS 77 Cb 0.16 -0.97 0.19 0.00 -0.02 0.00 0.00 35.03 34.39 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -4.44 0.34 -1.53 1.97 0.04 -1.26 -4.84 135.00 125.28 2hna s PRO 78 Ca 0.09 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 2hna s PRO 78 Cb -0.05 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 2hna s PRO 78 CO 0.46 -2.99 2.88 -3.47 0.04 0.00 0.00 177.00 173.92 2hna n ASP 79 N -4.45 8.30 0.00 6.66 2.03 -1.26 -4.41 116.55 123.42 2hna n ASP 79 Ca 0.08 -2.54 0.03 0.00 0.52 0.00 0.00 54.79 52.88 2hna n ASP 79 Cb 0.53 -1.50 0.17 0.00 -0.72 0.00 0.00 41.12 39.60 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 3.64 0.00 0.00 -2.67 4.32 -1.24 -3.74 117.00 117.30 2hna n LEU 80 Ca 0.75 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.76 2hna n LEU 80 Cb 0.23 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.17 2hna n LEU 80 CO 0.83 0.00 0.47 -1.54 -1.22 0.00 0.00 177.39 175.94 2hna n SER 81 N -0.64 0.00 -0.69 -1.43 3.41 -1.25 -0.95 113.62 112.07 2hna n SER 81 Ca 0.04 0.10 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 2hna n SER 81 Cb 0.02 -0.20 0.14 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.20 2.30 -2.29 7.33 0.00 -1.25 -4.96 120.51 120.44 2hna n ALA 82 Ca 0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 53.44 52.33 2hna n ALA 82 Cb 0.04 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.04 1.20 0.16 0.00 0.11 -0.12 -3.13 120.40 117.58 2hna s VAL 83 Ca 0.24 -2.07 0.10 0.00 -2.93 0.00 0.00 61.98 57.32 2hna s VAL 83 Cb 0.13 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 2hna s VAL 83 CO 0.18 -0.57 -0.20 0.00 -3.33 0.00 0.00 175.10 171.18 2hna s ARG 84 N -3.78 1.67 0.15 1.54 1.70 -1.20 -3.59 118.95 115.45 2hna s ARG 84 Ca 0.22 -1.37 0.11 0.00 -0.47 0.00 0.00 55.73 54.22 2hna s ARG 84 Cb 0.03 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 2hna s ARG 84 CO 0.04 0.43 -0.26 0.12 -1.08 0.00 0.00 175.30 174.56 2hna s PHE 85 N -1.48 2.31 0.00 5.89 5.36 0.06 -1.04 117.98 129.09 2hna s PHE 85 Ca 0.20 -0.37 -0.11 0.00 -0.96 0.00 0.00 56.93 55.69 2hna s PHE 85 Cb -0.09 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.39 2hna s PHE 85 CO 0.10 0.40 0.23 0.20 -1.46 0.00 0.00 175.22 174.69 2hna s GLY 86 N -2.29 -0.05 -0.02 13.12 0.00 -0.81 -1.37 107.32 115.90 2hna s GLY 86 Ca 0.17 0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.00 2hna s GLY 86 CO 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 173.10 172.87 2hna s ALA 87 N -1.57 1.53 -0.05 3.20 0.00 -1.26 -0.93 121.76 122.67 2hna s ALA 87 Ca -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2hna s ALA 87 Cb -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2hna s ALA 87 CO 0.02 0.35 0.01 0.42 0.00 0.00 0.00 175.76 176.56 2hna s ILE 88 N -0.33 0.23 0.00 0.00 1.01 0.21 -0.80 121.20 121.52 2hna s ILE 88 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2hna s ILE 88 Cb -0.08 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.03 2hna s ILE 88 CO -0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2hna n GLY 89 N 4.66 2.00 3.50 6.18 0.00 0.07 -2.52 105.19 119.08 2hna n GLY 89 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 1.95 -1.76 -0.61 2.08 -0.90 -3.93 119.36 116.19 2hna n ILE 90 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2hna n ILE 90 Cb 0.00 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hna n GLY 91 N 1.59 0.84 0.17 7.39 0.00 -1.26 -4.77 105.19 109.14 2hna n GLY 91 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2hna n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hna h SER 92 N 0.00 0.00 0.14 1.61 4.64 -1.91 -0.07 113.55 117.96 2hna h SER 92 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2hna h SER 92 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2hna h SER 92 CO 0.00 0.00 -0.08 0.08 -0.87 0.00 0.00 176.83 175.96 2hna h ARG 93 N 0.00 0.00 0.00 4.77 0.11 -1.91 0.14 114.38 117.49 2hna h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2hna h ARG 93 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 2hna h ARG 93 CO 0.00 0.08 0.00 0.39 0.10 0.00 0.00 179.97 180.54 2hna n GLU 94 N -4.02 0.00 0.09 0.08 -0.58 -0.04 -3.62 120.64 112.55 2hna n GLU 94 Ca -0.03 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.75 2hna n GLU 94 Cb 0.16 -3.01 0.21 0.00 -0.57 0.00 0.00 31.44 28.23 2hna n GLU 94 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2hna n TYR 95 N -1.81 0.26 0.69 -0.32 9.36 -1.26 -1.06 117.16 123.02 2hna n TYR 95 Ca 0.00 0.13 0.06 0.00 3.32 0.00 0.00 57.90 61.42 2hna n TYR 95 Cb 0.00 -0.53 0.34 0.00 -0.63 0.00 0.00 39.34 38.52 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2hna n ASP 96 N -1.73 0.00 -1.54 2.98 2.03 -1.26 -4.73 116.55 112.30 2hna n ASP 96 Ca -0.01 -0.15 -0.04 0.00 0.52 0.00 0.00 54.79 55.12 2hna n ASP 96 Cb 0.24 -0.14 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2hna n ASP 96 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2hna n THR 97 N -1.14 0.00 0.37 5.18 5.66 -0.22 -5.06 114.28 119.07 2hna n THR 97 Ca 0.08 -0.43 0.14 0.00 -3.05 0.00 0.00 64.05 60.79 2hna n THR 97 Cb 0.07 0.30 0.44 0.00 -1.55 0.00 0.00 70.33 69.58 2hna n THR 97 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 2hna h PHE 98 N 1.28 0.00 -4.17 1.09 0.04 -1.85 -3.47 116.94 109.86 2hna h PHE 98 Ca -0.08 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.16 2hna h PHE 98 Cb 0.34 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.63 2hna h PHE 98 CO 0.00 0.00 0.41 0.00 -0.60 0.00 0.00 178.31 178.12 2hna s GLY 100 N -2.00 2.05 0.59 0.00 0.00 -1.26 -4.04 107.32 102.67 2hna s GLY 100 Ca 0.74 -0.01 -0.17 0.00 0.00 0.00 0.00 44.72 45.29 2hna s GLY 100 CO 0.44 0.22 1.09 0.00 0.00 0.00 0.00 173.10 174.84 2hna s ALA 101 N -2.41 2.66 -0.01 3.20 0.00 -1.24 -4.71 121.76 119.25 2hna s ALA 101 Ca 0.55 0.57 0.14 0.00 0.00 0.00 0.00 51.96 53.22 2hna s ALA 101 Cb -0.10 -3.29 0.25 0.00 0.00 0.00 0.00 23.12 19.97 2hna s ALA 101 CO 0.29 -0.89 1.10 0.44 0.00 0.00 0.00 175.76 176.70 2hna n ILE 102 N -1.85 0.14 0.35 0.00 -5.35 0.45 -5.00 119.36 108.10 2hna n ILE 102 Ca 0.10 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2hna n ILE 102 Cb 0.52 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 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 0.17 1.37 0.03 7.28 5.75 -1.05 -4.31 116.55 125.79 2hna n ASP 103 Ca 0.04 -0.92 0.18 0.00 -0.01 0.00 0.00 54.79 54.08 2hna n ASP 103 Cb 0.93 -0.24 0.67 0.00 -1.03 0.00 0.00 41.12 41.45 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 1.35 0.03 0.76 0.11 1.57 -1.90 -0.27 116.57 118.21 2hna h LYS 104 Ca 0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2hna h LYS 104 Cb 0.42 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2hna h LYS 104 CO 0.00 0.02 -0.36 1.25 -0.57 0.00 0.00 179.45 179.79 2hna h LEU 105 N 0.03 -0.86 -1.13 2.94 7.12 -1.81 -1.13 115.31 120.48 2hna h LEU 105 Ca 0.22 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.22 2hna h LEU 105 Cb 0.84 0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 2hna h LEU 105 CO -0.01 -0.53 0.37 -0.33 -0.13 0.00 0.00 178.44 177.81 2hna h GLU 106 N -1.18 0.97 0.17 1.25 5.08 -1.71 -2.10 114.58 117.07 2hna h GLU 106 Ca -0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2hna h GLU 106 Cb 0.80 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2hna h GLU 106 CO 0.17 0.73 -0.08 0.00 -1.00 0.00 0.00 179.01 178.83 2hna h ALA 107 N 1.42 -0.23 -0.34 3.43 0.00 -1.07 -1.93 119.26 120.55 2hna h ALA 107 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2hna h ALA 107 Cb 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2hna h ALA 107 CO -0.04 -0.60 -0.11 0.93 0.00 0.00 0.00 179.25 179.44 2hna h GLU 108 N -0.29 0.58 0.01 0.00 4.39 -0.83 -0.44 114.58 118.00 2hna h GLU 108 Ca -0.02 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2hna h GLU 108 Cb 0.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2hna h GLU 108 CO 0.04 0.68 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.49 2hna h LEU 109 N 0.53 -0.01 -0.90 1.33 3.38 -1.23 0.34 115.31 118.76 2hna h LEU 109 Ca 0.10 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2hna h LEU 109 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2hna h LEU 109 CO 0.03 0.12 -0.48 0.07 0.09 0.00 0.00 178.44 178.28 2hna h LYS 110 N -0.14 0.00 -0.40 1.13 2.10 -1.14 -2.07 116.57 116.05 2hna h LYS 110 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2hna h LYS 110 Cb 0.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 2hna h LYS 110 CO 0.00 0.48 -0.09 -0.97 -2.00 0.00 0.00 179.45 176.87 2hna h ASN 111 N 0.00 0.66 0.09 7.07 -1.24 -0.95 -3.15 115.58 118.07 2hna h ASN 111 Ca -0.00 -0.18 -0.11 0.00 0.71 0.00 0.00 56.30 56.72 2hna h ASN 111 Cb 0.96 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 2hna h ASN 111 CO 0.06 0.79 -0.36 0.28 -1.29 0.00 0.00 177.43 176.91 2hna h SER 112 N 0.63 0.38 0.00 1.15 0.02 -0.21 -3.47 113.55 112.05 2hna h SER 112 Ca 0.11 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2hna h SER 112 Cb 0.52 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2hna h SER 112 CO 0.03 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 2hna n GLY 113 N -0.22 0.46 3.77 -3.77 0.00 -1.08 -3.65 105.19 100.70 2hna n GLY 113 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 3.39 -0.03 4.61 0.00 -1.13 -3.81 121.76 124.79 2hna s ALA 114 Ca 0.00 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 2hna s ALA 114 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2hna s ALA 114 CO 0.00 -0.65 0.96 -1.59 0.00 0.00 0.00 175.76 174.48 2hna s LYS 115 N -1.95 4.52 -0.66 0.00 -2.85 -1.24 -4.26 119.74 113.30 2hna s LYS 115 Ca 0.52 1.36 -0.27 0.00 -1.00 0.00 0.00 55.97 56.58 2hna s LYS 115 Cb -0.38 -3.47 0.01 0.00 -2.06 0.00 0.00 37.83 31.93 2hna s LYS 115 CO 0.49 -0.09 1.52 -1.14 0.10 0.00 0.00 175.35 176.23 2hna s GLN 116 N 1.17 3.01 0.50 1.78 0.74 -1.26 -0.76 119.66 124.83 2hna s GLN 116 Ca 0.50 0.20 -0.20 0.00 0.05 0.00 0.00 55.36 55.90 2hna s GLN 116 Cb -0.20 -4.25 -0.08 0.00 1.10 0.00 0.00 33.01 29.59 2hna s GLN 116 CO 0.25 -2.32 1.07 0.99 -0.55 0.00 0.00 175.29 174.73 2hna s THR 117 N 7.01 3.59 0.00 -0.34 2.01 -0.47 -4.74 115.64 122.69 2hna s THR 117 Ca 0.50 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.50 2hna s THR 117 Cb -0.10 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2hna s THR 117 CO 0.19 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2hna n GLY 118 N -0.10 3.92 3.48 4.40 0.00 -1.26 -4.73 105.19 110.89 2hna n GLY 118 Ca 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 1.34 0.13 1.61 -1.05 -1.26 -5.14 118.70 114.34 2hna s GLU 119 Ca 0.00 -1.05 -0.35 0.00 -0.15 0.00 0.00 54.97 53.42 2hna s GLU 119 Cb 0.00 0.46 -0.15 0.00 -0.44 0.00 0.00 34.13 34.00 2hna s GLU 119 CO 0.00 -0.54 1.40 2.41 0.95 0.00 0.00 175.26 179.48 2hna n THR 120 N -0.31 0.18 -3.17 1.83 -1.04 -1.26 -4.82 114.28 105.69 2hna n THR 120 Ca -0.07 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 2hna n THR 120 Cb 0.62 -1.10 -0.01 0.00 -1.82 0.00 0.00 70.33 68.02 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 0.61 3.89 0.02 -4.42 0.20 0.02 -5.00 118.68 114.00 2hna s LEU 121 Ca 0.80 0.54 0.04 0.00 0.69 0.00 0.00 54.13 56.20 2hna s LEU 121 Cb -0.83 -3.43 -0.02 0.00 -0.43 0.00 0.00 46.19 41.49 2hna s LEU 121 CO 0.45 -0.40 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.44 2hna s LYS 122 N -4.44 0.86 0.09 1.98 1.02 -1.26 -0.75 119.74 117.24 2hna s LYS 122 Ca 0.42 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2hna s LYS 122 Cb -0.10 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.34 2hna s LYS 122 CO 0.38 0.21 0.02 0.96 -0.92 0.00 0.00 175.35 176.00 2hna s ILE 123 N -0.68 0.16 0.07 2.17 -5.25 -1.26 -0.80 121.20 115.61 2hna s ILE 123 Ca 0.01 -1.85 -0.23 0.00 -0.99 0.00 0.00 60.65 57.60 2hna s ILE 123 Cb -0.07 -1.78 0.06 0.00 2.95 0.00 0.00 42.46 43.62 2hna s ILE 123 CO 0.01 -0.72 0.54 0.21 -1.79 0.00 0.00 174.94 173.19 2hna s ASN 124 N -2.98 -0.47 0.19 4.36 3.04 -1.26 -4.58 114.94 113.23 2hna s ASN 124 Ca 0.16 0.15 -0.03 0.00 0.04 0.00 0.00 52.86 53.18 2hna s ASN 124 Cb 0.08 0.52 -0.03 0.00 -1.54 0.00 0.00 41.25 40.27 2hna s ASN 124 CO -0.04 -0.77 0.16 0.27 -3.04 0.00 0.00 177.10 173.68 2hna s ILE 125 N -2.72 0.02 0.00 -5.21 -4.36 -1.26 -4.96 121.20 102.72 2hna s ILE 125 Ca -0.04 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2hna s ILE 125 Cb -0.00 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.36 2hna s ILE 125 CO -0.04 -0.11 0.00 0.18 0.24 0.00 0.00 174.94 175.21 2hna n LEU 126 N -0.24 0.00 -0.18 0.37 4.77 -1.26 -4.02 117.00 116.44 2hna n LEU 126 Ca -0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.92 2hna n LEU 126 Cb 0.65 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.85 2hna n LEU 126 CO 0.31 -1.02 0.93 -0.78 -1.33 0.00 0.00 177.39 175.50 2hna h ASP 127 N 0.00 0.91 -5.25 -1.43 3.58 -2.05 -3.47 116.42 108.72 2hna h ASP 127 Ca 0.00 -0.20 0.12 0.00 0.42 0.00 0.00 57.03 57.37 2hna h ASP 127 Cb 0.00 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.76 2hna h ASP 127 CO 0.00 0.91 0.44 -1.38 -2.88 0.00 0.00 179.24 176.33 2hna s HIS 128 N -5.18 -0.03 0.00 0.28 -3.43 -1.26 -5.02 115.29 100.66 2hna s HIS 128 Ca -0.11 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2hna s HIS 128 Cb 0.15 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 32.01 2hna s HIS 128 CO 0.83 -1.06 0.00 -3.47 -2.00 0.00 0.00 174.74 169.04 2hna n ASP 129 N -0.88 0.00 0.09 7.38 -0.08 -1.26 -4.88 116.55 116.92 2hna n ASP 129 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2hna n ASP 129 Cb 0.60 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.31 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2hna n ILE 130 N -2.25 0.02 -0.01 5.18 5.41 -1.26 -4.97 119.36 121.49 2hna n ILE 130 Ca 0.00 0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.59 2hna n ILE 130 Cb 0.00 -0.35 -0.09 0.00 -0.71 0.00 0.00 39.64 38.49 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2hna h PRO 131 N 0.00 0.58 -1.82 0.38 0.13 -1.88 -3.47 132.00 125.92 2hna h PRO 131 Ca 0.00 -0.52 -0.40 0.00 -0.87 0.00 0.00 66.00 64.21 2hna h PRO 131 Cb 0.00 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 31.15 2hna h PRO 131 CO 0.00 1.14 -0.41 -1.91 -0.23 0.00 0.00 178.00 176.59 2hna n GLU 132 N -4.12 -1.55 -3.00 0.86 2.13 -1.26 -4.91 120.64 108.79 2hna n GLU 132 Ca -0.09 1.08 -0.14 0.00 0.66 0.00 0.00 57.16 58.67 2hna n GLU 132 Cb 0.68 -5.55 -0.03 0.00 0.27 0.00 0.00 31.44 26.82 2hna n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2hna n ASP 133 N -1.49 -2.07 -4.54 4.31 2.03 -1.26 -5.07 116.55 108.46 2hna n ASP 133 Ca -0.21 -2.79 -0.39 0.00 0.52 0.00 0.00 54.79 51.92 2hna n ASP 133 Cb 0.65 0.80 0.03 0.00 -0.72 0.00 0.00 41.12 41.89 2hna n ASP 133 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2hna n PRO 134 N 2.52 0.79 -2.64 -0.67 -0.02 -1.26 -4.48 135.00 129.23 2hna n PRO 134 Ca 0.20 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2hna n PRO 134 Cb 0.54 -1.90 0.05 0.00 -0.02 0.00 0.00 33.50 32.18 2hna n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hna n ALA 135 N -1.41 2.61 0.21 3.55 0.00 0.02 -4.92 120.51 120.57 2hna n ALA 135 Ca 0.12 -2.47 0.14 0.00 0.00 0.00 0.00 53.44 51.23 2hna n ALA 135 Cb 0.45 -0.85 0.76 0.00 0.00 0.00 0.00 19.45 19.81 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 2.20 0.00 -0.22 0.00 9.09 -1.94 -0.79 114.58 122.92 2hna h GLU 136 Ca -0.19 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.28 2hna h GLU 136 Cb 1.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.44 2hna h GLU 136 CO 0.12 0.00 0.19 0.93 0.05 0.00 0.00 179.01 180.30 2hna h GLU 137 N 0.00 0.00 -0.29 1.06 4.39 -1.94 -0.56 114.58 117.24 2hna h GLU 137 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2hna h GLU 137 Cb 0.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2hna h GLU 137 CO 0.00 0.00 0.07 -1.49 -1.16 0.00 0.00 179.01 176.43 2hna h TRP 138 N 0.00 0.11 -0.08 4.33 -0.00 -1.55 -0.88 115.95 117.88 2hna h TRP 138 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.01 2hna h TRP 138 Cb 0.49 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.63 2hna h TRP 138 CO 0.00 0.03 0.04 1.25 -0.00 0.00 0.00 178.44 179.77 2hna h LEU 139 N 0.18 0.10 -0.06 -4.49 5.85 -1.30 0.15 115.31 115.73 2hna h LEU 139 Ca 0.13 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2hna h LEU 139 Cb 0.13 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2hna h LEU 139 CO -0.17 0.15 -0.18 1.23 -0.34 0.00 0.00 178.44 179.14 2hna h GLY 140 N 0.04 -0.19 0.95 3.75 0.00 -1.40 0.49 103.07 106.71 2hna h GLY 140 Ca 0.03 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2hna h GLY 140 CO -0.00 -0.17 0.17 0.23 0.00 0.00 0.00 176.54 176.77 2hna h SER 141 N -0.26 0.58 -0.80 0.19 0.87 -0.92 -1.17 113.55 112.04 2hna h SER 141 Ca 0.07 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2hna h SER 141 Cb 0.36 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2hna h SER 141 CO -0.21 0.59 0.51 -0.25 -0.53 0.00 0.00 176.83 176.95 2hna h TRP 142 N 0.54 1.03 -0.19 2.24 7.01 -0.43 0.90 115.95 127.05 2hna h TRP 142 Ca 0.14 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 2hna h TRP 142 Cb 0.19 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 2hna h TRP 142 CO 0.00 0.67 0.12 0.28 -2.79 0.00 0.00 178.44 176.72 2hna h VAL 143 N 1.10 1.08 0.00 2.65 2.07 -0.68 -0.87 116.25 121.59 2hna h VAL 143 Ca 0.29 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2hna h VAL 143 Cb -0.09 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2hna h VAL 143 CO -0.06 0.07 -0.11 0.78 0.02 0.00 0.00 177.57 178.27 2hna h ASN 144 N 0.23 0.00 0.01 0.57 2.35 -0.26 -0.74 115.58 117.73 2hna h ASN 144 Ca 0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2hna h ASN 144 Cb 0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 2hna h ASN 144 CO -0.01 0.11 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.49 2hna h LEU 145 N 0.00 0.28 -0.60 1.61 4.07 -0.45 -3.32 115.31 116.89 2hna h LEU 145 Ca -0.00 -0.79 -0.15 0.00 0.08 0.00 0.00 57.88 57.02 2hna h LEU 145 Cb 0.21 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2hna h LEU 145 CO 0.01 1.03 -0.69 0.17 -1.08 0.00 0.00 178.44 177.88 2hna h LEU 146 N -0.45 0.00 0.00 1.67 8.10 -0.99 -3.51 115.31 120.13 2hna h LEU 146 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 2hna h LEU 146 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 2hna h LEU 146 CO 0.06 0.69 0.00 0.29 -4.11 0.00 0.00 178.44 175.38