#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hna n ALA 2 N 0.00 -3.84 0.09 3.04 0.00 -1.26 -4.98 120.51 113.56 2hna n ALA 2 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 53.44 51.97 2hna n ALA 2 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 2hna n ALA 2 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hna h ASP 3 N -3.07 0.00 -3.42 0.00 3.58 -1.19 -3.47 116.42 108.86 2hna h ASP 3 Ca -0.56 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.53 2hna h ASP 3 Cb 1.34 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 42.03 2hna h ASP 3 CO 0.42 0.49 -0.74 -0.63 -2.88 0.00 0.00 179.24 175.89 2hna s ILE 4 N -2.98 0.08 0.00 2.25 1.01 -1.06 -3.61 121.20 116.90 2hna s ILE 4 Ca 0.01 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 2hna s ILE 4 Cb 0.08 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 2hna s ILE 4 CO 0.78 0.16 0.73 0.28 0.00 0.00 0.00 174.94 176.89 2hna s THR 5 N 1.48 4.86 -0.42 2.92 -1.32 -1.13 -0.77 115.64 121.24 2hna s THR 5 Ca -0.04 1.54 -0.04 0.00 -1.21 0.00 0.00 61.69 61.94 2hna s THR 5 Cb -0.13 -4.08 0.11 0.00 -1.51 0.00 0.00 72.50 66.90 2hna s THR 5 CO -0.03 0.33 0.23 -0.76 -2.21 0.00 0.00 174.62 172.18 2hna s LEU 6 N 0.23 5.33 -0.73 9.08 1.02 -0.01 -1.09 118.68 132.51 2hna s LEU 6 Ca 0.38 -1.98 -0.26 0.00 0.02 0.00 0.00 54.13 52.29 2hna s LEU 6 Cb -0.19 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 2hna s LEU 6 CO 0.21 -0.57 1.78 -0.63 0.02 0.00 0.00 176.35 177.16 2hna s ILE 7 N 1.20 3.46 -0.60 -0.59 1.01 -0.11 -2.01 121.20 123.56 2hna s ILE 7 Ca 0.07 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2hna s ILE 7 Cb -0.23 -4.16 0.34 0.00 0.01 0.00 0.00 42.46 38.42 2hna s ILE 7 CO -0.03 -1.11 1.09 -1.20 0.00 0.00 0.00 174.94 173.68 2hna n SER 8 N 12.37 3.07 -3.30 3.58 7.64 0.94 -1.05 113.62 136.89 2hna n SER 8 Ca 0.24 -2.44 -0.04 0.00 1.01 0.00 0.00 58.87 57.64 2hna n SER 8 Cb 0.50 -0.59 0.02 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.28 0.16 0.00 0.23 0.00 -1.19 -3.26 107.32 102.99 2hna s GLY 9 Ca 0.23 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2hna s GLY 9 CO 0.06 2.24 0.00 -1.14 0.00 0.00 0.00 173.10 174.27 2hna n SER 10 N -1.28 0.42 -2.20 1.64 3.41 -0.34 -4.72 113.62 110.55 2hna n SER 10 Ca -0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.35 2hna n SER 10 Cb 0.59 0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.49 2.38 -3.42 6.66 -2.24 -1.26 -2.67 114.28 113.24 2hna n THR 11 Ca 0.00 -4.30 -0.25 0.00 -2.27 0.00 0.00 64.05 57.23 2hna n THR 11 Cb 0.03 -0.99 0.03 0.00 -2.10 0.00 0.00 70.33 67.31 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 -0.63 -2.56 0.00 3.22 7.94 -1.26 -4.92 117.00 118.79 2hna n LEU 12 Ca 0.40 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2hna n LEU 12 Cb 0.88 -2.71 0.00 0.00 0.53 0.00 0.00 43.42 42.11 2hna n LEU 12 CO 0.36 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.61 2hna n GLY 13 N -1.59 1.19 0.00 -3.96 0.00 -1.26 -4.98 105.19 94.59 2hna n GLY 13 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.30 -0.65 2.49 -0.02 0.00 -1.25 -1.20 105.19 104.26 2hna n GLY 14 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 5.85 -0.00 4.61 0.00 -1.20 -4.73 120.51 125.03 2hna n ALA 15 Ca 0.00 -2.61 0.16 0.00 0.00 0.00 0.00 53.44 50.99 2hna n ALA 15 Cb 0.00 -3.15 0.61 0.00 0.00 0.00 0.00 19.45 16.91 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 5.80 0.15 -0.74 0.00 5.08 -1.97 -0.68 114.58 122.22 2hna h GLU 16 Ca 0.65 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.99 2hna h GLU 16 Cb 0.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2hna h GLU 16 CO 1.58 0.10 0.43 -0.92 -1.00 0.00 0.00 179.01 179.21 2hna h TYR 17 N 0.16 1.00 -0.33 4.33 5.03 -1.93 0.12 116.97 125.35 2hna h TYR 17 Ca 0.24 -0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.37 2hna h TYR 17 Cb 0.73 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.68 2hna h TYR 17 CO -0.00 0.68 -0.46 0.28 -1.32 0.00 0.00 178.16 177.34 2hna h VAL 18 N 1.02 1.28 -0.66 1.81 2.07 -1.55 -1.18 116.25 119.04 2hna h VAL 18 Ca 0.26 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 2hna h VAL 18 Cb -0.00 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2hna h VAL 18 CO -0.05 0.54 0.24 0.00 0.02 0.00 0.00 177.57 178.32 2hna h ALA 19 N 0.78 1.17 -0.64 1.67 0.00 -1.09 -0.27 119.26 120.88 2hna h ALA 19 Ca 0.04 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2hna h ALA 19 Cb 1.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2hna h ALA 19 CO 0.11 0.59 0.06 1.49 0.00 0.00 0.00 179.25 181.50 2hna h GLU 20 N 0.97 1.09 -0.58 0.00 4.81 -0.50 0.47 114.58 120.83 2hna h GLU 20 Ca 0.22 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 2hna h GLU 20 Cb 0.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2hna h GLU 20 CO -0.01 1.02 0.06 1.25 -0.73 0.00 0.00 179.01 180.59 2hna h HIS 21 N 1.01 1.02 -0.02 0.92 2.76 -0.77 -0.88 115.15 119.20 2hna h HIS 21 Ca 0.19 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2hna h HIS 21 Cb 0.49 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 2hna h HIS 21 CO 0.04 0.89 0.00 -0.07 -1.30 0.00 0.00 177.93 177.49 2hna h LEU 22 N 0.90 0.02 -0.87 0.26 3.38 -0.80 -2.78 115.31 115.43 2hna h LEU 22 Ca 0.18 -0.20 0.18 0.00 0.09 0.00 0.00 57.88 58.13 2hna h LEU 22 Cb 0.45 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2hna h LEU 22 CO 0.02 0.21 0.42 0.00 0.09 0.00 0.00 178.44 179.18 2hna h ALA 23 N 0.81 1.34 0.07 1.53 0.00 -0.75 -0.71 119.26 121.55 2hna h ALA 23 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2hna h ALA 23 Cb 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2hna h ALA 23 CO -0.00 -0.20 -0.26 1.49 0.00 0.00 0.00 179.25 180.28 2hna h GLU 24 N 0.53 -0.43 -0.73 0.00 4.57 -0.89 0.16 114.58 117.79 2hna h GLU 24 Ca 0.50 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.71 2hna h GLU 24 Cb 0.82 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 2hna h GLU 24 CO -0.43 -0.28 0.44 0.87 -1.18 0.00 0.00 179.01 178.42 2hna h LYS 25 N -0.44 0.99 -0.74 1.92 1.79 -1.18 -0.52 116.57 118.40 2hna h LYS 25 Ca 0.04 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 2hna h LYS 25 Cb 0.49 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2hna h LYS 25 CO -0.18 0.71 0.21 -0.07 -1.08 0.00 0.00 179.45 179.04 2hna h LEU 26 N 1.00 1.09 -0.37 2.94 3.38 -0.78 -0.30 115.31 122.26 2hna h LEU 26 Ca 0.26 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2hna h LEU 26 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2hna h LEU 26 CO -0.05 1.02 -0.81 -0.33 0.09 0.00 0.00 178.44 178.37 2hna h GLU 27 N 1.11 0.24 -0.19 1.13 5.08 -0.70 -2.63 114.58 118.62 2hna h GLU 27 Ca 0.24 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2hna h GLU 27 Cb 0.33 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2hna h GLU 27 CO -0.00 0.92 -0.01 0.93 -1.00 0.00 0.00 179.01 179.85 2hna h GLU 28 N 0.15 0.27 0.00 2.33 4.39 -0.85 -1.66 114.58 119.20 2hna h GLU 28 Ca -0.04 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2hna h GLU 28 Cb 1.40 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2hna h GLU 28 CO 0.13 0.30 -0.03 0.00 -1.16 0.00 0.00 179.01 178.25 2hna h ALA 29 N 1.74 1.01 0.00 3.43 0.00 -0.69 -3.46 119.26 121.28 2hna h ALA 29 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hna h ALA 29 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2hna h ALA 29 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2hna n GLY 30 N -0.04 0.62 0.31 0.00 0.00 -0.63 -5.09 105.19 100.37 2hna n GLY 30 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.51 -4.29 1.61 3.72 -1.08 -4.99 117.46 108.92 2hna n PHE 31 Ca 0.00 -0.13 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 2hna n PHE 31 Cb 0.00 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.35 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 -0.33 1.24 0.02 4.37 -4.23 -1.26 -4.36 115.64 111.10 2hna s THR 32 Ca 0.06 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2hna s THR 32 Cb -0.00 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 2hna s THR 32 CO 0.04 -0.08 -0.03 0.42 -0.54 0.00 0.00 174.62 174.42 2hna s THR 33 N -1.06 0.15 -0.60 3.99 -4.23 -1.26 -0.54 115.64 112.08 2hna s THR 33 Ca 0.01 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2hna s THR 33 Cb -0.09 -0.38 0.16 0.00 1.34 0.00 0.00 72.50 73.53 2hna s THR 33 CO 0.02 -0.53 0.41 -0.70 -0.54 0.00 0.00 174.62 173.28 2hna s GLU 34 N -1.65 2.47 -0.10 3.99 2.56 0.05 -4.85 118.70 121.16 2hna s GLU 34 Ca -0.14 -2.53 -0.29 0.00 0.00 0.00 0.00 54.97 52.01 2hna s GLU 34 Cb -0.09 -3.67 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 2hna s GLU 34 CO -0.02 -1.16 1.48 0.99 -0.56 0.00 0.00 175.26 175.99 2hna s THR 35 N -0.07 3.89 -0.11 -1.70 2.01 -1.26 -0.83 115.64 117.57 2hna s THR 35 Ca 0.17 1.08 -0.09 0.00 0.31 0.00 0.00 61.69 63.15 2hna s THR 35 Cb -0.21 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.64 2hna s THR 35 CO -0.03 -0.09 0.29 -0.76 -0.69 0.00 0.00 174.62 173.34 2hna s LEU 36 N 3.78 0.76 -0.00 4.42 1.43 -0.85 -4.97 118.68 123.24 2hna s LEU 36 Ca 0.65 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2hna s LEU 36 Cb -0.28 0.98 0.00 0.00 0.03 0.00 0.00 46.19 46.92 2hna s LEU 36 CO 0.23 -0.12 1.69 0.00 0.23 0.00 0.00 176.35 178.39 2hna n HIS 37 N 3.20 0.01 -3.90 0.29 1.44 -1.26 -0.04 115.22 114.96 2hna n HIS 37 Ca -0.15 -0.85 -0.25 0.00 -2.01 0.00 0.00 57.72 54.46 2hna n HIS 37 Cb 0.57 -0.42 -0.01 0.00 0.12 0.00 0.00 29.99 30.25 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 1.19 -0.25 0.30 -1.39 0.00 -1.26 -4.16 105.19 99.61 2hna n GLY 38 Ca 0.00 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.84 0.00 0.00 1.61 0.13 -1.97 -2.25 132.00 127.68 2hna h PRO 39 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2hna h PRO 39 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hna h PRO 39 CO 0.62 0.04 -0.04 1.28 -0.23 0.00 0.00 178.00 179.66 2hna n LEU 40 N -3.35 1.17 0.00 1.56 4.77 -1.26 -5.00 117.00 114.89 2hna n LEU 40 Ca -0.02 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2hna n LEU 40 Cb 0.18 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2hna n LEU 40 CO 0.26 0.33 0.00 -0.11 -1.33 0.00 0.00 177.39 176.53 2hna n LEU 41 N -0.39 0.00 -2.76 2.23 7.94 -0.85 -4.59 117.00 118.58 2hna n LEU 41 Ca 0.02 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.87 2hna n LEU 41 Cb 0.42 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.39 2hna n LEU 41 CO 0.00 0.00 0.14 -1.84 -1.11 0.00 0.00 177.39 174.58 2hna n GLU 42 N -0.55 0.57 -0.10 1.96 0.28 -1.26 -4.96 120.64 116.58 2hna n GLU 42 Ca 0.00 -1.96 -0.10 0.00 -0.16 0.00 0.00 57.16 54.93 2hna n GLU 42 Cb 0.00 -1.43 -0.03 0.00 1.43 0.00 0.00 31.44 31.41 2hna n GLU 42 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2hna h ASP 43 N 4.83 0.43 -4.07 -1.84 3.58 -1.98 -3.42 116.42 113.95 2hna h ASP 43 Ca 0.03 -0.21 -0.48 0.00 0.42 0.00 0.00 57.03 56.79 2hna h ASP 43 Cb 1.10 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.05 2hna h ASP 43 CO 0.06 0.53 0.31 -0.76 -2.88 0.00 0.00 179.24 176.50 2hna s LEU 44 N -9.70 3.69 1.37 2.28 1.43 -1.26 -5.07 118.68 111.42 2hna s LEU 44 Ca -0.13 1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 54.21 2hna s LEU 44 Cb 0.08 -4.39 0.35 0.00 0.03 0.00 0.00 46.19 42.26 2hna s LEU 44 CO 0.74 -0.53 0.99 -2.16 0.23 0.00 0.00 176.35 175.62 2hna s PRO 45 N -3.97 -2.57 0.00 1.29 0.04 -1.26 -4.86 135.00 123.68 2hna s PRO 45 Ca 0.57 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2hna s PRO 45 Cb -0.10 -1.43 0.00 0.00 0.04 0.00 0.00 34.50 33.01 2hna s PRO 45 CO 0.30 -4.61 0.66 0.00 0.04 0.00 0.00 177.00 173.40 2hna n ALA 46 N -5.41 2.23 -3.57 8.56 0.00 -1.26 -4.63 120.51 116.42 2hna n ALA 46 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 2hna n ALA 46 Cb 0.60 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 1.23 -0.59 0.00 0.00 0.01 -1.26 -3.94 113.70 109.14 2hna s SER 47 Ca 0.00 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2hna s SER 47 Cb 0.00 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.20 2hna s SER 47 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2hna n GLY 48 N 3.72 0.10 3.24 3.44 0.00 -0.92 -4.89 105.19 109.89 2hna n GLY 48 Ca -0.19 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.69 1.93 -0.02 -0.61 -1.09 -1.24 -2.77 121.20 116.71 2hna s ILE 49 Ca 0.00 -1.00 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 2hna s ILE 49 Cb 0.00 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 2hna s ILE 49 CO 0.00 0.54 -0.18 0.26 -1.23 0.00 0.00 174.94 174.32 2hna s TRP 50 N -0.14 1.69 0.05 3.97 0.52 -0.44 -2.85 118.94 121.74 2hna s TRP 50 Ca -0.03 -0.36 0.06 0.00 0.02 0.00 0.00 56.10 55.79 2hna s TRP 50 Cb -0.13 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.06 2hna s TRP 50 CO 0.03 -0.06 -0.16 -0.51 0.02 0.00 0.00 176.95 176.27 2hna s LEU 51 N -0.33 2.20 -0.03 2.99 1.43 -0.25 -1.91 118.68 122.79 2hna s LEU 51 Ca 0.05 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2hna s LEU 51 Cb -0.08 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.44 2hna s LEU 51 CO -0.00 0.05 -0.06 0.54 0.23 0.00 0.00 176.35 177.11 2hna s VAL 52 N -0.94 0.57 -0.25 -1.59 0.11 -0.72 -0.93 120.40 116.65 2hna s VAL 52 Ca 0.03 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2hna s VAL 52 Cb -0.09 -0.54 0.07 0.00 -1.53 0.00 0.00 36.38 34.29 2hna s VAL 52 CO 0.02 0.20 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.33 2hna s ILE 53 N 0.47 1.51 0.00 7.04 1.09 -0.21 -0.72 121.20 130.38 2hna s ILE 53 Ca -0.06 -1.30 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 2hna s ILE 53 Cb -0.10 -1.83 0.00 0.00 -1.06 0.00 0.00 42.46 39.47 2hna s ILE 53 CO 0.00 -0.18 0.00 -1.20 -0.10 0.00 0.00 174.94 173.46 2hna n SER 54 N 4.66 0.00 -3.75 3.58 7.64 -0.84 -3.15 113.62 121.76 2hna n SER 54 Ca -0.10 -0.31 -0.13 0.00 1.01 0.00 0.00 58.87 59.34 2hna n SER 54 Cb 0.44 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.96 -0.31 0.00 6.43 0.01 -1.26 -1.71 113.70 117.82 2hna s SER 55 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2hna s SER 55 Cb 0.00 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2hna s SER 55 CO 0.00 -0.26 0.00 0.35 0.41 0.00 0.00 173.24 173.74 2hna n THR 56 N 2.23 0.00 -1.67 1.44 -2.24 -1.26 -4.66 114.28 108.11 2hna n THR 56 Ca -0.16 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 2hna n THR 56 Cb 0.57 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 2hna n THR 56 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hna n HIS 57 N -0.84 2.50 -0.17 4.78 8.25 -1.26 -1.29 115.22 127.18 2hna n HIS 57 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2hna n HIS 57 Cb 0.00 -2.74 0.00 0.00 1.12 0.00 0.00 29.99 28.37 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hna n GLY 58 N 4.38 1.62 1.52 -1.41 0.00 -1.26 -4.73 105.19 105.31 2hna n GLY 58 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.55 2.64 -1.94 4.61 0.00 -0.41 -5.08 120.51 119.78 2hna n ALA 59 Ca 0.00 -2.05 -0.07 0.00 0.00 0.00 0.00 53.44 51.32 2hna n ALA 59 Cb 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 18.82 2hna n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 60 N 0.30 -0.03 3.32 0.00 0.00 -0.41 -4.55 105.19 103.82 2hna n GLY 60 Ca -0.01 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.34 1.71 0.15 1.61 -1.08 -0.11 -4.86 116.67 111.74 2hna s ASP 61 Ca 0.21 -1.69 -0.22 0.00 -0.52 0.00 0.00 52.55 50.34 2hna s ASP 61 Cb -0.01 0.52 0.02 0.00 -1.46 0.00 0.00 42.92 41.99 2hna s ASP 61 CO 0.15 -1.00 1.65 0.40 0.52 0.00 0.00 175.17 176.88 2hna h ILE 62 N 2.13 0.47 0.19 4.11 5.03 -1.95 -2.88 117.51 124.61 2hna h ILE 62 Ca -0.29 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.44 2hna h ILE 62 Cb 1.24 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 2hna h ILE 62 CO 0.43 0.00 -0.09 1.55 -0.68 0.00 0.00 178.15 179.36 2hna h PRO 63 N -0.21 -0.25 0.00 2.37 0.13 -1.98 -3.48 132.00 128.58 2hna h PRO 63 Ca 0.13 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2hna h PRO 63 Cb 0.40 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2hna h PRO 63 CO -0.34 0.12 0.00 -3.47 -0.23 0.00 0.00 178.00 174.08 2hna n ASP 64 N -5.02 -2.73 0.02 1.44 2.03 -1.09 -4.98 116.55 106.22 2hna n ASP 64 Ca -0.09 0.75 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2hna n ASP 64 Cb 0.25 2.70 0.00 0.00 -0.72 0.00 0.00 41.12 43.35 2hna n ASP 64 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hna n ASN 65 N -3.25 -0.35 -4.75 1.67 2.85 -1.26 -0.94 115.26 109.22 2hna n ASN 65 Ca 0.00 0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 54.18 2hna n ASN 65 Cb 0.00 0.56 -0.01 0.00 1.24 0.00 0.00 39.78 41.56 2hna n ASN 65 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2hna n LEU 66 N -2.40 4.42 0.04 1.20 4.32 -1.26 -4.67 117.00 118.64 2hna n LEU 66 Ca 0.00 1.16 0.00 0.00 -0.02 0.00 0.00 56.01 57.15 2hna n LEU 66 Cb 0.00 -1.60 0.00 0.00 -1.62 0.00 0.00 43.42 40.20 2hna n LEU 66 CO 0.00 0.15 0.00 -1.20 -1.22 0.00 0.00 177.39 175.12 2hna n SER 67 N 1.89 0.53 -0.13 -1.43 7.64 -1.09 -4.34 113.62 116.69 2hna n SER 67 Ca 0.07 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.95 2hna n SER 67 Cb 0.37 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.93 -0.33 1.43 0.13 -1.93 -2.26 132.00 129.97 2hna h PRO 68 Ca 0.00 -0.42 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2hna h PRO 68 Cb 0.00 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 2hna h PRO 68 CO 0.00 1.08 0.19 0.74 -0.23 0.00 0.00 178.00 179.78 2hna h PHE 69 N 0.79 0.45 -0.06 1.56 0.04 -1.89 -0.79 116.94 117.04 2hna h PHE 69 Ca 0.09 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2hna h PHE 69 Cb 0.84 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.82 2hna h PHE 69 CO 0.05 0.34 -0.10 -0.92 -0.60 0.00 0.00 178.31 177.08 2hna h TYR 70 N 0.42 -0.25 -0.37 -0.55 5.03 -1.70 0.63 116.97 120.19 2hna h TYR 70 Ca 0.12 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2hna h TYR 70 Cb 0.03 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 2hna h TYR 70 CO -0.03 -0.15 0.13 0.93 -1.32 0.00 0.00 178.16 177.72 2hna h GLU 71 N -0.14 0.56 -0.89 1.82 5.08 -1.30 -2.94 114.58 116.77 2hna h GLU 71 Ca 0.06 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2hna h GLU 71 Cb 0.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2hna h GLU 71 CO -0.15 0.55 0.59 0.00 -1.00 0.00 0.00 179.01 179.00 2hna h ALA 72 N 0.98 1.38 0.38 3.43 0.00 -0.78 -2.17 119.26 122.47 2hna h ALA 72 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hna h ALA 72 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2hna h ALA 72 CO -0.01 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.45 2hna h LEU 73 N 1.19 -0.76 -1.57 0.00 3.38 -0.70 -2.33 115.31 114.51 2hna h LEU 73 Ca 0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2hna h LEU 73 Cb -0.12 0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2hna h LEU 73 CO -0.07 -0.44 0.00 1.56 0.09 0.00 0.00 178.44 179.58 2hna h GLN 74 N -0.67 0.00 -0.06 1.13 4.20 -1.41 0.15 115.11 118.45 2hna h GLN 74 Ca -0.03 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2hna h GLN 74 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2hna h GLN 74 CO -0.00 0.00 -0.64 1.49 -0.67 0.00 0.00 178.83 179.01 2hna h GLU 75 N 0.00 0.25 0.00 1.46 4.81 -0.84 -3.38 114.58 116.87 2hna h GLU 75 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2hna h GLU 75 Cb 0.40 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2hna h GLU 75 CO 0.00 0.80 -0.97 0.00 -0.73 0.00 0.00 179.01 178.11 2hna n GLN 76 N -3.85 2.14 -3.76 1.92 10.64 -1.04 -5.07 117.38 118.36 2hna n GLN 76 Ca -0.03 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.89 2hna n GLN 76 Cb 0.64 -0.99 0.01 0.00 -0.86 0.00 0.00 30.24 29.05 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 -1.72 -0.65 -0.78 2.61 5.02 0.50 -4.87 118.16 118.28 2hna n LYS 77 Ca 0.00 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 2hna n LYS 77 Cb 0.26 -1.22 0.21 0.00 -0.02 0.00 0.00 35.03 34.26 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -5.75 -0.13 -1.49 1.97 0.04 -1.26 -4.86 135.00 123.53 2hna s PRO 78 Ca 0.22 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 2hna s PRO 78 Cb -0.12 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2hna s PRO 78 CO 0.59 -3.20 2.62 -3.47 0.04 0.00 0.00 177.00 173.58 2hna n ASP 79 N -4.55 6.61 0.00 6.66 2.03 -1.26 -4.37 116.55 121.67 2hna n ASP 79 Ca 0.05 -2.65 0.01 0.00 0.52 0.00 0.00 54.79 52.72 2hna n ASP 79 Cb 0.55 -1.54 0.05 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.62 0.00 0.00 -2.67 7.99 -1.24 -3.94 117.00 121.76 2hna n LEU 80 Ca 0.66 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.68 2hna n LEU 80 Cb 0.28 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.68 2hna n LEU 80 CO 0.87 0.00 0.49 -1.20 -1.51 0.00 0.00 177.39 176.04 2hna n SER 81 N -0.56 0.00 -0.50 -1.43 7.64 -1.24 -0.93 113.62 116.60 2hna n SER 81 Ca 0.01 0.31 0.04 0.00 1.01 0.00 0.00 58.87 60.24 2hna n SER 81 Cb 0.01 -0.34 0.12 0.00 -1.01 0.00 0.00 64.21 62.98 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna n ALA 82 N -1.34 2.16 -2.51 -0.43 0.00 -1.25 -4.94 120.51 112.20 2hna n ALA 82 Ca 0.01 -1.08 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 2hna n ALA 82 Cb 0.03 -0.35 -0.11 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 -0.98 1.12 0.08 0.00 0.11 -0.11 -2.16 120.40 118.46 2hna s VAL 83 Ca 0.18 -1.65 0.05 0.00 -2.93 0.00 0.00 61.98 57.63 2hna s VAL 83 Cb 0.09 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 2hna s VAL 83 CO 0.13 -0.47 -0.01 0.00 -3.33 0.00 0.00 175.10 171.41 2hna s ARG 84 N -2.66 2.52 0.16 1.54 1.70 -1.11 -3.79 118.95 117.31 2hna s ARG 84 Ca 0.06 -0.84 0.07 0.00 -0.47 0.00 0.00 55.73 54.55 2hna s ARG 84 Cb -0.04 -2.52 -0.04 0.00 -0.57 0.00 0.00 34.95 31.77 2hna s ARG 84 CO 0.01 0.55 0.02 -0.06 -1.08 0.00 0.00 175.30 174.74 2hna s PHE 85 N -1.27 2.90 -0.22 5.89 0.40 -0.14 -1.33 117.98 124.21 2hna s PHE 85 Ca 0.25 -0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2hna s PHE 85 Cb -0.12 -1.42 0.09 0.00 0.51 0.00 0.00 43.02 42.08 2hna s PHE 85 CO 0.17 0.51 0.16 0.20 0.70 0.00 0.00 175.22 176.95 2hna s GLY 86 N -2.85 0.24 0.19 4.36 0.00 -0.80 -1.47 107.32 106.99 2hna s GLY 86 Ca 0.27 -0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.44 2hna s GLY 86 CO 0.19 2.02 0.74 0.00 0.00 0.00 0.00 173.10 176.05 2hna s ALA 87 N 2.20 3.44 -0.02 3.20 0.00 -1.26 -1.75 121.76 127.57 2hna s ALA 87 Ca 0.06 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 2hna s ALA 87 Cb -0.16 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2hna s ALA 87 CO -0.19 0.31 0.02 0.42 0.00 0.00 0.00 175.76 176.33 2hna s ILE 88 N -1.32 -0.04 0.00 0.00 1.01 0.10 -0.81 121.20 120.13 2hna s ILE 88 Ca 0.39 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2hna s ILE 88 Cb -0.20 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2hna s ILE 88 CO 0.23 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2hna n GLY 89 N 3.89 2.18 3.55 6.18 0.00 0.00 -1.99 105.19 119.00 2hna n GLY 89 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.29 2.05 0.02 -0.61 5.41 -0.69 -4.40 119.36 120.85 2hna n ILE 90 Ca 0.00 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 63.08 2hna n ILE 90 Cb 0.00 -0.85 -0.14 0.00 -0.71 0.00 0.00 39.64 37.94 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 1.55 0.24 -4.30 7.39 0.00 -1.88 -3.46 103.07 102.62 2hna h GLY 91 Ca -0.40 -0.63 -0.59 0.00 0.00 0.00 0.00 47.33 45.71 2hna h GLY 91 CO 0.57 0.55 0.19 1.44 0.00 0.00 0.00 176.54 179.29 2hna n SER 92 N -3.39 1.50 -3.67 0.19 7.64 -1.26 -4.84 113.62 109.80 2hna n SER 92 Ca -0.24 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.72 2hna n SER 92 Cb 1.05 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 2hna n SER 92 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2hna s ARG 93 N -1.69 1.86 0.59 1.43 3.52 -1.26 -4.73 118.95 118.67 2hna s ARG 93 Ca 0.59 -1.13 0.29 0.00 -0.13 0.00 0.00 55.73 55.34 2hna s ARG 93 Cb -0.65 0.59 1.70 0.00 -1.56 0.00 0.00 34.95 35.03 2hna s ARG 93 CO 0.60 -0.85 2.15 0.93 -0.81 0.00 0.00 175.30 177.32 2hna h GLU 94 N 2.03 0.00 -2.45 5.12 4.39 -1.98 -3.34 114.58 118.35 2hna h GLU 94 Ca -0.23 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.11 2hna h GLU 94 Cb 1.25 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.54 2hna h GLU 94 CO 0.29 0.00 -0.66 -0.47 -1.16 0.00 0.00 179.01 177.01 2hna s TYR 95 N -4.65 -0.24 0.00 4.33 5.04 -1.26 -4.95 117.35 115.63 2hna s TYR 95 Ca -0.05 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 2hna s TYR 95 Cb 0.15 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.97 2hna s TYR 95 CO 0.55 -0.74 0.76 -3.47 -1.34 0.00 0.00 175.55 171.31 2hna n ASP 96 N 5.30 0.00 -3.75 4.32 2.03 -1.26 -5.10 116.55 118.10 2hna n ASP 96 Ca -0.04 -1.54 -0.07 0.00 0.52 0.00 0.00 54.79 53.65 2hna n ASP 96 Cb 0.47 -0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 2hna n ASP 96 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2hna s THR 97 N 0.00 0.00 0.00 5.18 -1.32 -1.26 -4.98 115.64 113.26 2hna s THR 97 Ca 0.00 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.76 2hna s THR 97 Cb 0.00 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 2hna s THR 97 CO 0.00 0.00 0.00 0.33 -2.21 0.00 0.00 174.62 172.74 2hna n PHE 98 N -0.44 -0.50 -2.71 9.09 7.35 -1.26 -4.96 117.46 124.04 2hna n PHE 98 Ca -0.07 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.56 2hna n PHE 98 Cb 0.61 0.12 0.04 0.00 0.35 0.00 0.00 39.48 40.59 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 -0.45 5.03 3.61 0.00 0.00 -1.26 -5.15 105.19 106.97 2hna n GLY 100 Ca 0.12 -1.45 -0.33 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 n ALA 101 N -3.00 -1.01 -2.29 4.61 0.00 -1.26 -5.06 120.51 112.50 2hna n ALA 101 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 2hna n ALA 101 Cb 0.00 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 2hna n ALA 101 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2hna s ILE 102 N -2.37 0.66 0.00 0.00 -4.36 -1.26 -4.77 121.20 109.10 2hna s ILE 102 Ca 0.67 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 2hna s ILE 102 Cb -0.25 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2hna s ILE 102 CO 0.58 -0.23 1.40 -0.90 0.24 0.00 0.00 174.94 176.03 2hna n ASP 103 N -0.37 3.77 -0.29 4.36 5.75 -1.26 -4.68 116.55 123.83 2hna n ASP 103 Ca -0.03 -1.98 0.11 0.00 -0.01 0.00 0.00 54.79 52.87 2hna n ASP 103 Cb 0.65 -0.79 0.26 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.67 0.26 0.27 0.11 1.57 -1.97 0.12 116.57 118.61 2hna h LYS 104 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2hna h LYS 104 Cb 0.74 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2hna h LYS 104 CO 0.00 0.17 -0.16 1.25 -0.57 0.00 0.00 179.45 180.15 2hna h LEU 105 N 0.27 -0.39 -0.69 2.94 7.12 -1.94 -2.44 115.31 120.18 2hna h LEU 105 Ca 0.52 0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.47 2hna h LEU 105 Cb 0.99 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.20 2hna h LEU 105 CO -0.59 -0.26 0.08 -0.33 -0.13 0.00 0.00 178.44 177.22 2hna h GLU 106 N -0.40 1.09 -0.85 1.25 5.08 -1.53 -2.98 114.58 116.23 2hna h GLU 106 Ca -0.03 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2hna h GLU 106 Cb 0.33 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2hna h GLU 106 CO 0.03 1.01 0.51 0.00 -1.00 0.00 0.00 179.01 179.57 2hna h ALA 107 N 1.06 1.20 -0.75 3.43 0.00 -0.61 0.17 119.26 123.76 2hna h ALA 107 Ca 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2hna h ALA 107 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2hna h ALA 107 CO 0.02 0.19 0.29 0.93 0.00 0.00 0.00 179.25 180.68 2hna h GLU 108 N 0.89 1.13 -0.30 0.00 4.39 -1.29 -0.67 114.58 118.74 2hna h GLU 108 Ca 0.39 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 2hna h GLU 108 Cb 0.28 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2hna h GLU 108 CO -0.21 0.92 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.14 2hna h LEU 109 N 1.10 0.82 -1.12 1.33 3.38 -0.98 0.14 115.31 119.98 2hna h LEU 109 Ca 0.25 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2hna h LEU 109 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2hna h LEU 109 CO -0.02 1.14 0.36 0.11 0.09 0.00 0.00 178.44 180.12 2hna h LYS 110 N 0.51 0.97 -0.23 1.13 1.57 -0.63 -1.66 116.57 118.24 2hna h LYS 110 Ca 0.04 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2hna h LYS 110 Cb 0.93 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2hna h LYS 110 CO 0.08 0.73 -0.51 -0.97 -0.57 0.00 0.00 179.45 178.22 2hna h ASN 111 N 0.98 0.71 -0.18 0.86 -1.24 -0.93 -3.26 115.58 112.52 2hna h ASN 111 Ca 0.24 -0.36 -0.10 0.00 0.71 0.00 0.00 56.30 56.79 2hna h ASN 111 Cb 0.06 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2hna h ASN 111 CO -0.04 1.09 -0.21 0.28 -1.29 0.00 0.00 177.43 177.26 2hna h SER 112 N 0.51 0.62 0.00 1.15 0.02 0.06 -3.47 113.55 112.43 2hna h SER 112 Ca 0.02 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2hna h SER 112 Cb 1.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2hna h SER 112 CO 0.10 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 2hna n GLY 113 N -0.35 0.43 3.63 -3.77 0.00 -0.70 -3.71 105.19 100.72 2hna n GLY 113 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.57 -0.02 4.61 0.00 -1.09 -3.72 121.76 122.11 2hna s ALA 114 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2hna s ALA 114 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2hna s ALA 114 CO 0.00 -3.14 -0.12 -1.59 0.00 0.00 0.00 175.76 170.91 2hna s LYS 115 N -4.89 1.13 -0.03 0.00 -2.85 -1.25 -4.22 119.74 107.64 2hna s LYS 115 Ca 0.66 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.92 2hna s LYS 115 Cb -0.19 -1.05 -0.05 0.00 -2.06 0.00 0.00 37.83 34.48 2hna s LYS 115 CO 0.59 0.20 1.35 -1.14 0.10 0.00 0.00 175.35 176.45 2hna s GLN 116 N -0.02 4.29 0.39 1.78 0.74 -1.26 -0.97 119.66 124.61 2hna s GLN 116 Ca -0.00 1.88 -0.10 0.00 0.05 0.00 0.00 55.36 57.19 2hna s GLN 116 Cb -0.08 -3.60 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 2hna s GLN 116 CO 0.00 -0.56 0.74 0.99 -0.55 0.00 0.00 175.29 175.91 2hna s THR 117 N 2.50 4.80 0.00 -0.34 2.01 -0.54 -4.88 115.64 119.19 2hna s THR 117 Ca 0.62 0.58 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2hna s THR 117 Cb -0.29 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2hna s THR 117 CO 0.25 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2hna n GLY 118 N -1.20 3.29 3.60 4.40 0.00 -1.26 -4.71 105.19 109.32 2hna n GLY 118 Ca 0.02 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 1.88 0.18 1.61 -1.05 -1.26 -5.09 118.70 114.97 2hna s GLU 119 Ca 0.00 -1.52 -0.32 0.00 -0.15 0.00 0.00 54.97 52.99 2hna s GLU 119 Cb 0.00 0.50 -0.11 0.00 -0.44 0.00 0.00 34.13 34.07 2hna s GLU 119 CO 0.00 -0.81 1.77 0.99 0.95 0.00 0.00 175.26 178.16 2hna s THR 120 N -3.18 2.18 0.55 1.83 2.01 -1.26 -4.78 115.64 113.00 2hna s THR 120 Ca 0.24 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 2hna s THR 120 Cb -0.02 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 2hna s THR 120 CO 0.15 0.00 1.00 -0.22 -0.69 0.00 0.00 174.62 174.86 2hna s LEU 121 N 1.77 3.48 -0.01 4.42 0.20 0.01 -4.94 118.68 123.60 2hna s LEU 121 Ca 0.77 1.52 0.05 0.00 0.69 0.00 0.00 54.13 57.17 2hna s LEU 121 Cb -0.49 -4.50 -0.01 0.00 -0.43 0.00 0.00 46.19 40.76 2hna s LEU 121 CO 0.34 -0.70 -0.17 -0.54 -0.29 0.00 0.00 176.35 174.98 2hna s LYS 122 N -4.48 1.38 0.04 1.98 3.01 -1.26 -0.82 119.74 119.59 2hna s LYS 122 Ca 0.58 -0.61 0.01 0.00 -1.01 0.00 0.00 55.97 54.93 2hna s LYS 122 Cb -0.10 -1.33 -0.03 0.00 -1.01 0.00 0.00 37.83 35.35 2hna s LYS 122 CO 0.40 0.37 -0.05 0.96 0.51 0.00 0.00 175.35 177.53 2hna s ILE 123 N -0.41 0.33 0.00 2.17 -5.25 -1.26 -1.11 121.20 115.67 2hna s ILE 123 Ca 0.07 -1.30 0.00 0.00 -0.99 0.00 0.00 60.65 58.42 2hna s ILE 123 Cb -0.07 -0.83 0.00 0.00 2.95 0.00 0.00 42.46 44.51 2hna s ILE 123 CO -0.01 -0.63 0.34 -3.20 -1.79 0.00 0.00 174.94 169.65 2hna n ASN 124 N 1.00 0.00 -0.74 4.36 2.85 -1.26 -4.55 115.26 116.92 2hna n ASN 124 Ca -0.20 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.38 2hna n ASN 124 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2hna n ASN 124 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2hna n ILE 125 N 0.00 0.34 0.13 -1.44 -6.64 -1.26 -3.57 119.36 106.92 2hna n ILE 125 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2hna n ILE 125 Cb 0.45 -0.59 0.00 0.00 -1.44 0.00 0.00 39.64 38.05 2hna n ILE 125 CO 0.00 0.00 0.00 -0.11 -1.77 0.00 0.00 176.55 174.67 2hna n LEU 126 N 0.38 -0.70 -3.61 7.28 7.94 -1.26 -5.03 117.00 121.99 2hna n LEU 126 Ca 0.00 0.46 -0.09 0.00 -1.11 0.00 0.00 56.01 55.27 2hna n LEU 126 Cb 0.26 0.83 -0.02 0.00 0.53 0.00 0.00 43.42 45.03 2hna n LEU 126 CO 0.00 -0.59 0.51 -0.62 -1.11 0.00 0.00 177.39 175.58 2hna s ASP 127 N -4.51 -0.39 0.93 1.96 2.15 -1.23 -5.17 116.67 110.41 2hna s ASP 127 Ca 0.00 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.64 2hna s ASP 127 Cb 0.00 0.59 0.16 0.00 -0.30 0.00 0.00 42.92 43.37 2hna s ASP 127 CO 0.00 -1.03 1.14 -1.38 -0.17 0.00 0.00 175.17 173.73 2hna s HIS 128 N -3.65 1.56 0.01 -5.34 -3.43 -1.26 -4.73 115.29 98.45 2hna s HIS 128 Ca 0.06 1.77 0.00 0.00 -0.80 0.00 0.00 55.06 56.09 2hna s HIS 128 Cb -0.03 -3.34 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 2hna s HIS 128 CO -0.04 -2.92 0.00 -3.47 -2.00 0.00 0.00 174.74 166.31 2hna n ASP 129 N -4.31 -0.08 0.10 7.38 -0.08 -1.26 -5.04 116.55 113.27 2hna n ASP 129 Ca 0.11 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2hna n ASP 129 Cb 0.52 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.44 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 -2.52 0.00 -0.04 5.18 2.08 -1.26 -4.94 119.36 117.85 2hna n ILE 130 Ca 0.00 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.17 2hna n ILE 130 Cb 0.00 -0.44 -0.03 0.00 -0.75 0.00 0.00 39.64 38.42 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 0.77 -0.57 0.38 0.13 -1.86 -3.47 132.00 127.39 2hna h PRO 131 Ca 0.00 -0.53 -0.24 0.00 -0.87 0.00 0.00 66.00 64.35 2hna h PRO 131 Cb 0.00 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 31.11 2hna h PRO 131 CO 0.00 1.16 -0.22 -1.91 -0.23 0.00 0.00 178.00 176.80 2hna n GLU 132 N -3.97 -1.17 -3.46 0.86 2.13 -1.26 -4.96 120.64 108.81 2hna n GLU 132 Ca -0.05 0.89 -0.05 0.00 0.66 0.00 0.00 57.16 58.61 2hna n GLU 132 Cb 0.66 -5.04 -0.06 0.00 0.27 0.00 0.00 31.44 27.27 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hna s ASP 133 N -2.64 -0.47 0.77 4.31 2.15 -1.26 -5.01 116.67 114.52 2hna s ASP 133 Ca 0.00 0.83 -0.14 0.00 0.43 0.00 0.00 52.55 53.67 2hna s ASP 133 Cb 0.00 1.59 0.06 0.00 -0.30 0.00 0.00 42.92 44.27 2hna s ASP 133 CO 0.00 -0.26 1.21 -2.65 -0.17 0.00 0.00 175.17 173.31 2hna n PRO 134 N 5.40 0.39 -2.71 4.34 -0.02 -1.26 -4.10 135.00 137.03 2hna n PRO 134 Ca -0.06 0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2hna n PRO 134 Cb 0.50 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.98 3.05 0.21 3.55 0.00 -0.27 -4.90 120.51 119.17 2hna n ALA 135 Ca 0.14 -2.86 0.11 0.00 0.00 0.00 0.00 53.44 50.83 2hna n ALA 135 Cb 0.50 -0.92 0.56 0.00 0.00 0.00 0.00 19.45 19.58 2hna n ALA 135 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2hna n GLU 136 N -0.28 0.15 0.28 0.00 0.28 -1.26 -1.11 120.64 118.69 2hna n GLU 136 Ca 0.07 0.59 0.12 0.00 -0.16 0.00 0.00 57.16 57.78 2hna n GLU 136 Cb 0.82 -1.93 0.81 0.00 1.43 0.00 0.00 31.44 32.56 2hna n GLU 136 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2hna h GLU 137 N 0.00 0.00 0.09 3.44 4.39 -1.97 -1.95 114.58 118.58 2hna h GLU 137 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2hna h GLU 137 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2hna h GLU 137 CO 0.00 0.00 -0.14 2.35 -1.16 0.00 0.00 179.01 180.06 2hna h TRP 138 N 0.00 -0.37 -0.15 4.33 7.01 -1.54 -0.61 115.95 124.62 2hna h TRP 138 Ca 0.00 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.06 2hna h TRP 138 Cb 0.01 0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 2hna h TRP 138 CO 0.00 -0.21 -0.38 1.25 -2.79 0.00 0.00 178.44 176.31 2hna h LEU 139 N -0.28 -1.19 -0.51 0.65 7.12 -1.52 0.19 115.31 119.77 2hna h LEU 139 Ca 0.02 0.17 0.03 0.00 0.13 0.00 0.00 57.88 58.23 2hna h LEU 139 Cb 0.30 0.50 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 2hna h LEU 139 CO -0.08 -0.40 0.29 1.23 -0.13 0.00 0.00 178.44 179.36 2hna h GLY 140 N -0.44 0.72 0.87 3.75 0.00 -1.36 -0.64 103.07 105.97 2hna h GLY 140 Ca 0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 2hna h GLY 140 CO -0.40 0.18 -0.42 1.76 0.00 0.00 0.00 176.54 177.66 2hna h SER 141 N 0.58 -0.99 -0.90 0.19 0.02 -0.58 -2.05 113.55 109.83 2hna h SER 141 Ca 0.21 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 2hna h SER 141 Cb 0.05 0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.75 2hna h SER 141 CO -0.11 -0.65 0.51 -0.25 -1.14 0.00 0.00 176.83 175.19 2hna h TRP 142 N -1.27 0.90 0.52 3.45 7.01 -0.58 -0.11 115.95 125.88 2hna h TRP 142 Ca -0.12 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 2hna h TRP 142 Cb 0.89 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 2hna h TRP 142 CO 0.01 0.26 -0.39 0.28 -2.79 0.00 0.00 178.44 175.81 2hna h VAL 143 N 0.74 0.20 0.00 2.65 2.07 -1.08 -0.18 116.25 120.65 2hna h VAL 143 Ca 0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2hna h VAL 143 Cb 0.62 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2hna h VAL 143 CO -0.33 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 176.80 2hna n ASN 144 N -5.51 0.65 -0.05 0.57 0.23 -0.57 -1.37 115.26 109.21 2hna n ASN 144 Ca -0.12 0.65 -0.15 0.00 -0.53 0.00 0.00 54.58 54.43 2hna n ASN 144 Cb 0.41 -0.79 -0.13 0.00 -2.08 0.00 0.00 39.78 37.18 2hna n ASN 144 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2hna h LEU 145 N 0.00 0.07 -0.67 -4.53 4.07 -0.80 -3.37 115.31 110.08 2hna h LEU 145 Ca 0.00 -0.96 -0.14 0.00 0.08 0.00 0.00 57.88 56.86 2hna h LEU 145 Cb 0.38 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2hna h LEU 145 CO 0.00 1.10 -0.55 0.17 -1.08 0.00 0.00 178.44 178.08 2hna h LEU 146 N -0.90 0.36 0.00 1.67 8.10 -0.72 -3.51 115.31 120.31 2hna h LEU 146 Ca -0.05 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.75 2hna h LEU 146 Cb 1.12 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.24 2hna h LEU 146 CO 0.01 0.84 0.00 0.29 -4.11 0.00 0.00 178.44 175.47