#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 -0.81 -0.14 -5.12 0.00 -1.26 -4.82 121.76 109.61 2hna s ALA 2 Ca 0.00 -0.42 0.17 0.00 0.00 0.00 0.00 51.96 51.71 2hna s ALA 2 Cb 0.00 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 2hna s ALA 2 CO 0.00 -0.87 1.07 0.22 0.00 0.00 0.00 175.76 176.18 2hna h ASP 3 N 2.17 0.00 -3.45 0.00 3.58 -1.20 -3.47 116.42 114.05 2hna h ASP 3 Ca -0.26 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.84 2hna h ASP 3 Cb 1.26 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.96 2hna h ASP 3 CO 0.34 0.51 -0.74 -0.63 -2.88 0.00 0.00 179.24 175.83 2hna s ILE 4 N -2.97 0.11 0.02 2.25 1.01 -1.14 -3.87 121.20 116.62 2hna s ILE 4 Ca -0.00 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.59 2hna s ILE 4 Cb 0.08 -0.24 -0.06 0.00 0.01 0.00 0.00 42.46 42.25 2hna s ILE 4 CO 0.79 0.15 0.66 0.28 0.00 0.00 0.00 174.94 176.82 2hna s THR 5 N 1.27 4.82 -0.39 2.92 -1.32 -1.21 -1.60 115.64 120.13 2hna s THR 5 Ca -0.06 1.40 -0.06 0.00 -1.21 0.00 0.00 61.69 61.76 2hna s THR 5 Cb -0.13 -4.01 0.08 0.00 -1.51 0.00 0.00 72.50 66.93 2hna s THR 5 CO -0.02 0.41 0.18 -0.76 -2.21 0.00 0.00 174.62 172.22 2hna s LEU 6 N -0.21 4.89 -0.57 9.08 1.02 -0.36 -1.38 118.68 131.15 2hna s LEU 6 Ca 0.34 -1.60 -0.18 0.00 0.02 0.00 0.00 54.13 52.71 2hna s LEU 6 Cb -0.19 -1.88 0.11 0.00 0.02 0.00 0.00 46.19 44.25 2hna s LEU 6 CO 0.20 -0.47 0.63 -0.63 0.02 0.00 0.00 176.35 176.09 2hna s ILE 7 N 1.30 4.95 -0.23 -0.59 1.01 0.01 -1.44 121.20 126.21 2hna s ILE 7 Ca 0.03 -1.11 0.15 0.00 0.00 0.00 0.00 60.65 59.71 2hna s ILE 7 Cb -0.22 -4.42 0.76 0.00 0.01 0.00 0.00 42.46 38.59 2hna s ILE 7 CO -0.00 -1.01 1.68 -1.20 0.00 0.00 0.00 174.94 174.41 2hna n SER 8 N 5.96 5.31 -1.34 3.58 7.64 0.03 -1.41 113.62 133.40 2hna n SER 8 Ca -0.11 -2.97 -0.00 0.00 1.01 0.00 0.00 58.87 56.80 2hna n SER 8 Cb 0.42 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2hna n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hna n GLY 9 N 0.34 2.36 0.26 0.23 0.00 -1.22 -3.01 105.19 104.14 2hna n GLY 9 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 2hna n GLY 9 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hna h SER 10 N 0.66 -0.68 -1.40 1.61 0.02 -1.76 -1.18 113.55 110.83 2hna h SER 10 Ca 0.01 0.19 -0.51 0.00 -0.84 0.00 0.00 61.79 60.64 2hna h SER 10 Cb 1.01 0.41 -0.41 0.00 0.14 0.00 0.00 62.40 63.54 2hna h SER 10 CO 0.01 -0.23 -0.90 0.35 -1.14 0.00 0.00 176.83 174.93 2hna n THR 11 N -5.42 1.87 -1.51 -2.27 -2.24 -1.26 -2.66 114.28 100.78 2hna n THR 11 Ca 0.06 -4.32 -0.18 0.00 -2.27 0.00 0.00 64.05 57.34 2hna n THR 11 Cb 0.32 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 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 -0.31 -1.28 0.00 3.22 7.94 -0.44 -4.83 117.00 121.30 2hna n LEU 12 Ca 0.28 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 2hna n LEU 12 Cb 0.70 -2.49 0.00 0.00 0.53 0.00 0.00 43.42 42.16 2hna n LEU 12 CO 0.31 -0.92 0.00 0.61 -1.11 0.00 0.00 177.39 176.28 2hna n GLY 13 N -0.82 -0.45 0.00 -3.96 0.00 -1.24 -4.80 105.19 93.92 2hna n GLY 13 Ca -0.18 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.84 -0.42 0.00 -0.02 0.00 -1.16 -2.73 105.19 100.01 2hna n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hna n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 15 N 0.00 0.21 -0.25 4.61 0.00 -1.26 -4.95 120.51 118.87 2hna n ALA 15 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2hna n ALA 15 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 2hna n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hna h GLU 16 N 0.00 0.57 -0.54 0.00 3.07 -1.92 0.37 114.58 116.12 2hna h GLU 16 Ca 0.00 -0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.97 2hna h GLU 16 Cb 0.61 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2hna h GLU 16 CO 0.00 0.37 0.38 -0.92 -1.40 0.00 0.00 179.01 177.45 2hna h TYR 17 N 0.58 0.09 0.00 4.33 3.20 -2.01 -0.59 116.97 122.57 2hna h TYR 17 Ca 0.45 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.20 2hna h TYR 17 Cb 0.88 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 2hna h TYR 17 CO -0.00 0.04 -1.69 0.28 -1.64 0.00 0.00 178.16 175.15 2hna n VAL 18 N -4.40 0.48 0.05 1.81 0.31 -0.38 -4.40 118.33 111.80 2hna n VAL 18 Ca 0.10 -0.40 0.04 0.00 -0.01 0.00 0.00 64.34 64.07 2hna n VAL 18 Cb 0.56 -0.36 0.44 0.00 -0.91 0.00 0.00 33.84 33.57 2hna n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hna h ALA 19 N 0.75 1.71 -0.65 3.52 0.00 -0.50 -0.28 119.26 123.81 2hna h ALA 19 Ca -0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2hna h ALA 19 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2hna h ALA 19 CO 0.01 0.25 0.12 0.93 0.00 0.00 0.00 179.25 180.56 2hna h GLU 20 N 0.45 1.06 -0.23 0.00 5.08 -1.33 0.34 114.58 119.94 2hna h GLU 20 Ca 0.12 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2hna h GLU 20 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2hna h GLU 20 CO -0.02 0.96 -0.09 1.25 -1.00 0.00 0.00 179.01 180.12 2hna h HIS 21 N 1.00 0.53 -0.23 4.33 2.76 -1.52 -1.57 115.15 120.45 2hna h HIS 21 Ca 0.20 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2hna h HIS 21 Cb 0.41 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 2hna h HIS 21 CO 0.03 0.72 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.20 2hna h LEU 22 N 0.19 -0.37 -0.36 0.26 3.38 -0.97 -1.61 115.31 115.83 2hna h LEU 22 Ca 0.05 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2hna h LEU 22 Cb 0.57 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2hna h LEU 22 CO 0.03 -0.14 0.03 0.00 0.09 0.00 0.00 178.44 178.44 2hna h ALA 23 N 1.12 0.35 0.21 1.53 0.00 -0.85 -0.49 119.26 121.13 2hna h ALA 23 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2hna h ALA 23 Cb 0.27 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2hna h ALA 23 CO -0.29 -0.37 -0.20 1.49 0.00 0.00 0.00 179.25 179.88 2hna h GLU 24 N 0.13 -0.42 -0.82 0.00 4.81 -0.72 0.40 114.58 117.96 2hna h GLU 24 Ca 0.17 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 2hna h GLU 24 Cb 0.23 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 2hna h GLU 24 CO -0.27 -0.28 0.46 0.87 -0.73 0.00 0.00 179.01 179.07 2hna h LYS 25 N -0.43 0.74 -0.06 1.92 1.79 -1.16 -2.26 116.57 117.11 2hna h LYS 25 Ca -0.00 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 2hna h LYS 25 Cb 0.40 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2hna h LYS 25 CO -0.04 0.49 -0.58 1.25 -1.08 0.00 0.00 179.45 179.50 2hna h LEU 26 N 0.77 0.22 -0.19 2.94 5.85 -0.48 -2.45 115.31 121.95 2hna h LEU 26 Ca 0.40 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 2hna h LEU 26 Cb 0.39 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2hna h LEU 26 CO -0.26 0.75 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.23 2hna h GLU 27 N 0.15 0.35 0.00 1.25 5.08 -0.43 -2.78 114.58 118.20 2hna h GLU 27 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2hna h GLU 27 Cb 1.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2hna h GLU 27 CO 0.09 0.59 0.00 -0.85 -1.00 0.00 0.00 179.01 177.83 2hna n GLU 28 N -4.67 0.16 0.25 2.33 0.28 -0.90 -0.96 120.64 117.14 2hna n GLU 28 Ca -0.05 0.46 0.17 0.00 -0.16 0.00 0.00 57.16 57.58 2hna n GLU 28 Cb 0.25 -1.85 0.66 0.00 1.43 0.00 0.00 31.44 31.93 2hna n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hna h ALA 29 N 2.22 1.00 0.00 -1.84 0.00 -1.14 -3.46 119.26 116.04 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 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 0.03 0.13 0.48 0.00 0.00 -0.13 -5.11 105.19 100.58 2hna n GLY 30 Ca 0.01 0.00 -0.03 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 -0.11 -4.46 1.61 3.72 -0.84 -5.08 117.46 112.31 2hna n PHE 31 Ca 0.00 -0.41 -0.25 0.00 -0.05 0.00 0.00 57.45 56.74 2hna n PHE 31 Cb 0.00 0.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.45 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 -2.16 1.71 0.05 4.37 -4.23 -1.26 -4.39 115.64 109.73 2hna s THR 32 Ca 0.06 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2hna s THR 32 Cb 0.00 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 2hna s THR 32 CO 0.04 0.07 -0.01 0.42 -0.54 0.00 0.00 174.62 174.60 2hna s THR 33 N -0.99 0.19 -0.33 3.99 -4.23 -1.26 -0.59 115.64 112.43 2hna s THR 33 Ca 0.07 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2hna s THR 33 Cb -0.09 -1.24 0.10 0.00 1.34 0.00 0.00 72.50 72.61 2hna s THR 33 CO 0.03 -0.86 0.11 -0.70 -0.54 0.00 0.00 174.62 172.65 2hna s GLU 34 N -3.39 0.87 0.03 3.99 2.12 -0.62 -4.88 118.70 116.82 2hna s GLU 34 Ca 0.02 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 53.77 2hna s GLU 34 Cb 0.04 -2.18 -0.07 0.00 0.26 0.00 0.00 34.13 32.17 2hna s GLU 34 CO -0.08 -1.00 1.64 0.99 -0.54 0.00 0.00 175.26 176.27 2hna s THR 35 N 1.39 3.26 0.03 -1.70 2.01 -1.26 -1.22 115.64 118.15 2hna s THR 35 Ca 0.11 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2hna s THR 35 Cb -0.18 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2hna s THR 35 CO -0.20 -0.02 0.05 -0.76 -0.69 0.00 0.00 174.62 173.00 2hna s LEU 36 N 3.09 2.00 -0.24 4.42 1.43 -0.52 -4.96 118.68 123.91 2hna s LEU 36 Ca 0.73 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2hna s LEU 36 Cb -0.37 0.41 0.31 0.00 0.03 0.00 0.00 46.19 46.57 2hna s LEU 36 CO 0.31 -0.46 1.54 0.00 0.23 0.00 0.00 176.35 177.98 2hna n HIS 37 N 0.94 1.52 -3.89 0.29 1.44 -1.26 -0.79 115.22 113.46 2hna n HIS 37 Ca -0.20 -1.30 -0.25 0.00 -2.01 0.00 0.00 57.72 53.96 2hna n HIS 37 Cb 0.58 -0.65 -0.00 0.00 0.12 0.00 0.00 29.99 30.03 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 -0.20 -0.27 0.30 -1.39 0.00 -1.26 -3.46 105.19 98.90 2hna n GLY 38 Ca 0.30 0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.90 -2.29 132.00 127.71 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 0.03 -0.00 1.28 -0.23 0.00 0.00 178.00 179.70 2hna n LEU 40 N -3.26 1.57 0.00 1.56 4.77 -1.26 -5.00 117.00 115.39 2hna n LEU 40 Ca -0.02 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 2hna n LEU 40 Cb 0.19 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2hna n LEU 40 CO 0.25 0.40 0.00 -0.11 -1.33 0.00 0.00 177.39 176.60 2hna n LEU 41 N -0.40 0.00 -2.94 2.23 7.94 -0.86 -4.63 117.00 118.33 2hna n LEU 41 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hna n LEU 41 Cb 0.31 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.22 2hna n LEU 41 CO 0.00 0.00 0.25 -1.83 -1.11 0.00 0.00 177.39 174.70 2hna s GLU 42 N 0.00 0.61 0.09 1.96 -1.05 -1.26 -4.98 118.70 114.06 2hna s GLU 42 Ca 0.00 -0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 54.31 2hna s GLU 42 Cb 0.00 0.04 -0.08 0.00 -0.44 0.00 0.00 34.13 33.65 2hna s GLU 42 CO 0.00 -0.83 1.47 0.22 0.95 0.00 0.00 175.26 177.07 2hna h ASP 43 N 5.86 0.54 -4.09 0.83 3.58 -1.98 -3.42 116.42 117.74 2hna h ASP 43 Ca 0.02 -0.38 -0.45 0.00 0.42 0.00 0.00 57.03 56.64 2hna h ASP 43 Cb 1.18 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2hna h ASP 43 CO 0.01 0.80 0.34 -0.76 -2.88 0.00 0.00 179.24 176.75 2hna s LEU 44 N -9.29 3.83 0.00 2.28 1.43 -1.26 -5.07 118.68 110.61 2hna s LEU 44 Ca -0.13 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 2hna s LEU 44 Cb 0.08 -4.51 0.18 0.00 0.03 0.00 0.00 46.19 41.96 2hna s LEU 44 CO 0.77 -0.43 0.56 -0.81 0.23 0.00 0.00 176.35 176.67 2hna n PRO 45 N -0.96 -2.52 -0.13 1.29 -0.04 -1.26 -4.86 135.00 126.52 2hna n PRO 45 Ca 0.07 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 2hna n PRO 45 Cb 0.54 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 2hna n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hna n ALA 46 N -4.14 2.48 -3.63 0.55 0.00 -1.26 -4.58 120.51 109.92 2hna n ALA 46 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2hna n ALA 46 Cb 0.32 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 1.44 -0.84 0.00 0.00 0.01 -1.26 -4.09 113.70 108.96 2hna s SER 47 Ca 0.00 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2hna s SER 47 Cb 0.00 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.54 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 3.97 0.36 3.17 3.44 0.00 -1.23 -4.95 105.19 109.96 2hna n GLY 48 Ca -0.19 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -2.36 1.39 0.16 -0.61 -1.09 -1.25 -3.53 121.20 113.90 2hna s ILE 49 Ca 0.00 -0.77 0.10 0.00 -2.23 0.00 0.00 60.65 57.75 2hna s ILE 49 Cb 0.00 -1.16 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 2hna s ILE 49 CO 0.00 0.37 -0.23 0.26 -1.23 0.00 0.00 174.94 174.11 2hna s TRP 50 N -0.44 2.13 0.01 3.97 0.52 -0.28 -3.36 118.94 121.49 2hna s TRP 50 Ca 0.07 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.80 2hna s TRP 50 Cb -0.07 -1.10 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 2hna s TRP 50 CO -0.01 0.38 -0.02 -0.51 0.02 0.00 0.00 176.95 176.81 2hna s LEU 51 N -2.37 2.07 -0.09 2.99 1.43 -0.48 -2.48 118.68 119.74 2hna s LEU 51 Ca 0.16 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2hna s LEU 51 Cb -0.08 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.10 2hna s LEU 51 CO 0.07 -0.06 -0.11 -0.69 0.23 0.00 0.00 176.35 175.79 2hna s VAL 52 N -0.43 1.15 -0.29 -1.59 1.01 -0.43 -0.81 120.40 119.01 2hna s VAL 52 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2hna s VAL 52 Cb -0.03 -1.09 0.09 0.00 0.00 0.00 0.00 36.38 35.34 2hna s VAL 52 CO -0.00 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 174.88 2hna s ILE 53 N 1.11 1.41 0.27 2.22 1.09 -0.50 -0.39 121.20 126.40 2hna s ILE 53 Ca -0.06 -1.56 -0.02 0.00 -1.10 0.00 0.00 60.65 57.91 2hna s ILE 53 Cb -0.14 -1.94 0.01 0.00 -1.06 0.00 0.00 42.46 39.32 2hna s ILE 53 CO -0.02 -0.48 0.38 -1.20 -0.10 0.00 0.00 174.94 173.52 2hna n SER 54 N 4.65 -1.05 -2.95 3.58 7.64 -0.85 -4.36 113.62 120.28 2hna n SER 54 Ca -0.03 -2.44 -0.14 0.00 1.01 0.00 0.00 58.87 57.27 2hna n SER 54 Cb 0.43 1.95 0.01 0.00 -1.01 0.00 0.00 64.21 65.59 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 -1.74 -1.20 -0.33 6.43 7.64 -1.26 -1.79 113.62 121.36 2hna n SER 55 Ca 0.00 -3.18 0.31 0.00 1.01 0.00 0.00 58.87 57.02 2hna n SER 55 Cb 0.45 0.71 0.66 0.00 -1.01 0.00 0.00 64.21 65.02 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 2.32 0.42 -3.40 0.44 1.35 -1.87 -1.43 112.91 110.75 2hna h THR 56 Ca -0.03 -0.05 -0.48 0.00 -0.55 0.00 0.00 66.41 65.31 2hna h THR 56 Cb 1.00 0.27 -0.34 0.00 -1.73 0.00 0.00 68.15 67.35 2hna h THR 56 CO 0.35 0.03 -0.80 -2.28 -0.25 0.00 0.00 175.52 172.57 2hna s HIS 57 N -5.15 1.20 0.00 4.73 5.65 -1.26 -0.59 115.29 119.86 2hna s HIS 57 Ca -0.06 -0.44 0.00 0.00 0.25 0.00 0.00 55.06 54.81 2hna s HIS 57 Cb 0.24 -0.94 0.00 0.00 -1.18 0.00 0.00 32.58 30.70 2hna s HIS 57 CO 0.81 -0.28 0.00 0.41 -0.65 0.00 0.00 174.74 175.03 2hna n GLY 58 N 4.07 3.04 2.28 1.59 0.00 -1.25 -3.72 105.19 111.21 2hna n GLY 58 Ca -0.22 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 2hna n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna n ALA 59 N 0.00 2.85 -2.92 4.61 0.00 -0.55 -4.95 120.51 119.55 2hna n ALA 59 Ca 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.65 2hna n ALA 59 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.35 2.10 1.39 0.00 0.00 -1.18 -4.81 105.19 102.35 2hna n GLY 60 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.92 1.61 2.03 0.24 -4.71 116.55 111.81 2hna n ASP 61 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2hna n ASP 61 Cb 0.00 0.15 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 2hna n ASP 61 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2hna s ILE 62 N -1.70 0.00 0.45 5.18 -4.36 -1.09 -4.42 121.20 115.27 2hna s ILE 62 Ca 0.00 -1.51 0.26 0.00 -0.26 0.00 0.00 60.65 59.14 2hna s ILE 62 Cb 0.00 -2.31 0.46 0.00 1.25 0.00 0.00 42.46 41.86 2hna s ILE 62 CO 0.00 0.00 1.75 -0.65 0.24 0.00 0.00 174.94 176.28 2hna h PRO 63 N 2.29 0.21 0.00 0.37 0.11 -1.81 0.14 132.00 133.31 2hna h PRO 63 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2hna h PRO 63 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hna h PRO 63 CO 0.38 0.14 0.00 -3.47 -0.21 0.00 0.00 178.00 174.84 2hna n ASP 64 N -4.50 0.17 -0.36 -2.05 2.03 -1.26 -1.63 116.55 108.96 2hna n ASP 64 Ca 0.28 0.58 0.11 0.00 0.52 0.00 0.00 54.79 56.28 2hna n ASP 64 Cb 1.12 -0.60 0.30 0.00 -0.72 0.00 0.00 41.12 41.21 2hna n ASP 64 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2hna h ASN 65 N 0.00 0.83 -3.08 1.67 -1.24 -1.25 -3.39 115.58 109.11 2hna h ASN 65 Ca 0.00 0.08 -0.58 0.00 0.71 0.00 0.00 56.30 56.52 2hna h ASN 65 Cb 0.02 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 38.95 2hna h ASN 65 CO 0.00 0.33 0.78 -0.76 -1.29 0.00 0.00 177.43 176.50 2hna s LEU 66 N -10.28 4.13 -0.12 0.34 1.02 -0.64 -4.86 118.68 108.27 2hna s LEU 66 Ca -0.11 1.44 -0.06 0.00 0.02 0.00 0.00 54.13 55.41 2hna s LEU 66 Cb 0.24 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.87 2hna s LEU 66 CO 0.80 -0.65 0.05 0.77 0.02 0.00 0.00 176.35 177.34 2hna h SER 67 N 7.49 0.00 0.17 2.29 4.64 -1.72 -3.34 113.55 123.08 2hna h SER 67 Ca -0.21 -0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 60.73 2hna h SER 67 Cb 1.08 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2hna h SER 67 CO 0.96 0.65 -1.08 1.55 -0.87 0.00 0.00 176.83 178.04 2hna h PRO 68 N -1.00 0.44 0.53 4.77 0.13 -1.86 -3.37 132.00 131.65 2hna h PRO 68 Ca -0.01 -0.70 -0.02 0.00 -0.87 0.00 0.00 66.00 64.39 2hna h PRO 68 Cb 0.27 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2hna h PRO 68 CO -0.01 1.32 -0.30 0.35 -0.23 0.00 0.00 178.00 179.13 2hna h PHE 69 N -0.08 -0.79 -0.80 1.56 3.04 -1.77 -0.57 116.94 117.53 2hna h PHE 69 Ca -0.18 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.76 2hna h PHE 69 Cb 1.83 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 40.58 2hna h PHE 69 CO 0.16 -0.46 0.50 -0.92 -2.02 0.00 0.00 178.31 175.57 2hna h TYR 70 N -0.77 1.04 -0.12 0.41 3.20 -1.78 -0.86 116.97 118.09 2hna h TYR 70 Ca -0.07 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 2hna h TYR 70 Cb 0.60 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2hna h TYR 70 CO 0.02 0.68 -0.22 0.93 -1.64 0.00 0.00 178.16 177.93 2hna h GLU 71 N 1.09 0.36 -0.49 1.82 5.08 -1.72 -3.24 114.58 117.48 2hna h GLU 71 Ca 0.29 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2hna h GLU 71 Cb -0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2hna h GLU 71 CO -0.06 0.82 0.20 0.00 -1.00 0.00 0.00 179.01 178.97 2hna h ALA 72 N 0.54 1.44 0.32 3.43 0.00 -0.68 -1.23 119.26 123.08 2hna h ALA 72 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hna h ALA 72 Cb 0.79 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2hna h ALA 72 CO 0.05 0.43 -0.39 -0.07 0.00 0.00 0.00 179.25 179.27 2hna h LEU 73 N 0.69 -1.09 -0.50 0.00 3.38 -1.20 -2.39 115.31 114.21 2hna h LEU 73 Ca 0.17 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2hna h LEU 73 Cb 0.13 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2hna h LEU 73 CO -0.02 -0.52 0.00 0.06 0.09 0.00 0.00 178.44 178.05 2hna h GLN 74 N -0.76 0.00 -0.13 1.13 3.07 -1.54 0.82 115.11 117.71 2hna h GLN 74 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.51 2hna h GLN 74 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2hna h GLN 74 CO -0.11 0.00 -0.76 1.49 0.09 0.00 0.00 178.83 179.54 2hna h GLU 75 N 0.00 0.66 0.00 0.06 4.81 -0.74 -3.39 114.58 115.98 2hna h GLU 75 Ca 0.00 -0.54 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 2hna h GLU 75 Cb 0.55 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2hna h GLU 75 CO 0.00 1.16 -1.35 0.00 -0.73 0.00 0.00 179.01 178.09 2hna n GLN 76 N -3.90 2.06 -3.94 1.92 10.64 -0.98 -5.06 117.38 118.12 2hna n GLN 76 Ca -0.06 -0.02 -0.30 0.00 -1.83 0.00 0.00 57.00 54.78 2hna n GLN 76 Cb 0.73 -1.15 0.01 0.00 -0.86 0.00 0.00 30.24 28.98 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 -2.03 -0.52 -0.90 2.61 5.02 0.27 -4.86 118.16 117.75 2hna n LYS 77 Ca -0.06 -0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 55.80 2hna n LYS 77 Cb 0.50 -1.23 0.18 0.00 -0.02 0.00 0.00 35.03 34.46 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 -6.51 0.51 -1.38 1.97 0.04 -1.26 -4.83 135.00 123.54 2hna s PRO 78 Ca 0.31 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 2hna s PRO 78 Cb -0.17 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2hna s PRO 78 CO 0.63 -2.80 2.53 -3.47 0.04 0.00 0.00 177.00 173.93 2hna n ASP 79 N -4.29 6.29 0.00 6.66 2.03 -1.26 -4.27 116.55 121.71 2hna n ASP 79 Ca 0.07 -2.60 0.01 0.00 0.52 0.00 0.00 54.79 52.79 2hna n ASP 79 Cb 0.54 -1.46 0.05 0.00 -0.72 0.00 0.00 41.12 39.54 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 4.67 0.00 0.00 -2.67 4.32 -1.24 -4.01 117.00 118.06 2hna n LEU 80 Ca 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.63 2hna n LEU 80 Cb 0.27 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.11 2hna n LEU 80 CO 0.86 0.00 0.46 -1.20 -1.22 0.00 0.00 177.39 176.29 2hna n SER 81 N -0.54 0.00 -0.40 -1.43 7.64 -1.25 -0.68 113.62 116.97 2hna n SER 81 Ca 0.01 0.34 0.03 0.00 1.01 0.00 0.00 58.87 60.27 2hna n SER 81 Cb 0.01 -0.35 0.10 0.00 -1.01 0.00 0.00 64.21 62.95 2hna n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hna n ALA 82 N -1.35 2.11 -2.29 -0.43 0.00 -1.26 -4.97 120.51 112.31 2hna n ALA 82 Ca 0.01 -1.09 -0.16 0.00 0.00 0.00 0.00 53.44 52.20 2hna n ALA 82 Cb 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.00 1.03 0.12 0.00 0.11 0.14 -3.50 120.40 117.29 2hna s VAL 83 Ca 0.14 -2.04 0.10 0.00 -2.93 0.00 0.00 61.98 57.26 2hna s VAL 83 Cb 0.08 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.73 2hna s VAL 83 CO 0.10 -0.48 -0.24 0.00 -3.33 0.00 0.00 175.10 171.15 2hna s ARG 84 N -3.83 1.30 0.33 1.54 1.70 -1.23 -2.97 118.95 115.78 2hna s ARG 84 Ca 0.24 -1.27 0.07 0.00 -0.47 0.00 0.00 55.73 54.30 2hna s ARG 84 Cb 0.05 -1.69 -0.07 0.00 -0.57 0.00 0.00 34.95 32.67 2hna s ARG 84 CO 0.05 0.40 -0.03 -0.59 -1.08 0.00 0.00 175.30 174.05 2hna s PHE 85 N -1.09 2.18 -0.11 5.89 -0.71 -0.24 -1.13 117.98 122.77 2hna s PHE 85 Ca 0.11 -0.69 -0.04 0.00 -1.04 0.00 0.00 56.93 55.27 2hna s PHE 85 Cb -0.10 -1.35 0.05 0.00 -1.21 0.00 0.00 43.02 40.41 2hna s PHE 85 CO 0.05 0.34 0.10 0.20 -1.34 0.00 0.00 175.22 174.57 2hna s GLY 86 N -3.55 0.21 0.36 1.99 0.00 -1.04 -2.76 107.32 102.54 2hna s GLY 86 Ca 0.33 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.87 2hna s GLY 86 CO 0.15 1.64 1.07 0.00 0.00 0.00 0.00 173.10 175.95 2hna s ALA 87 N 2.20 3.20 -0.02 3.20 0.00 -1.26 -1.31 121.76 127.77 2hna s ALA 87 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2hna s ALA 87 Cb -0.14 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2hna s ALA 87 CO -0.07 -0.20 0.02 0.42 0.00 0.00 0.00 175.76 175.93 2hna s ILE 88 N -1.47 0.01 0.00 0.00 1.01 0.47 -0.71 121.20 120.51 2hna s ILE 88 Ca 0.53 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.33 2hna s ILE 88 Cb -0.26 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2hna s ILE 88 CO 0.33 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2hna n GLY 89 N 4.02 2.11 3.63 6.18 0.00 0.12 -2.01 105.19 119.23 2hna n GLY 89 Ca -0.26 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.25 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N -1.12 0.06 -0.07 -0.61 5.41 -0.74 -4.37 119.36 117.92 2hna n ILE 90 Ca 0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 2hna n ILE 90 Cb 0.00 -1.08 -0.14 0.00 -0.71 0.00 0.00 39.64 37.71 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hna n GLY 91 N 3.00 -0.85 3.59 7.39 0.00 -1.24 -4.84 105.19 112.24 2hna n GLY 91 Ca 0.19 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2hna n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna s SER 92 N -4.88 5.24 0.08 1.61 0.01 -1.26 -4.78 113.70 109.72 2hna s SER 92 Ca -0.08 1.57 -0.09 0.00 1.31 0.00 0.00 55.95 58.66 2hna s SER 92 Cb 0.07 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 2hna s SER 92 CO 0.72 -2.18 0.19 -0.13 0.41 0.00 0.00 173.24 172.25 2hna s ARG 93 N 6.78 0.82 0.63 12.44 0.52 -1.08 -4.23 118.95 134.83 2hna s ARG 93 Ca 0.96 -0.89 0.36 0.00 -0.52 0.00 0.00 55.73 55.65 2hna s ARG 93 Cb -0.27 0.33 2.06 0.00 0.52 0.00 0.00 34.95 37.59 2hna s ARG 93 CO 0.32 -0.26 2.26 0.93 0.02 0.00 0.00 175.30 178.58 2hna h GLU 94 N 2.88 0.00 -0.08 3.54 5.08 -1.90 -1.83 114.58 122.27 2hna h GLU 94 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2hna h GLU 94 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hna h GLU 94 CO 0.55 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.22 2hna n TYR 95 N -3.44 0.17 -1.88 4.33 4.01 -1.26 -4.59 117.16 114.50 2hna n TYR 95 Ca -0.02 -0.70 0.03 0.00 -0.16 0.00 0.00 57.90 57.05 2hna n TYR 95 Cb 0.13 -0.11 0.05 0.00 -0.31 0.00 0.00 39.34 39.10 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2hna n ASP 96 N -0.66 0.82 -0.22 7.72 2.03 -0.69 -4.92 116.55 120.63 2hna n ASP 96 Ca 0.09 -2.37 0.00 0.00 0.52 0.00 0.00 54.79 53.03 2hna n ASP 96 Cb 0.47 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2hna n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2hna n THR 97 N -0.29 0.00 0.31 5.18 -2.24 -1.22 -4.38 114.28 111.64 2hna n THR 97 Ca 0.06 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.01 2hna n THR 97 Cb 0.78 -0.24 0.99 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.13 0.00 -0.18 4.78 0.04 -1.91 -0.78 116.94 119.03 2hna h PHE 98 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2hna h PHE 98 Cb 0.15 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2hna h PHE 98 CO 0.00 0.01 -0.10 0.00 -0.60 0.00 0.00 178.31 177.62 2hna n GLY 100 N -1.03 0.83 2.23 0.00 0.00 -0.30 -4.80 105.19 102.13 2hna n GLY 100 Ca 0.23 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 0.89 6.10 -1.73 4.61 0.00 -1.24 -4.89 120.51 124.24 2hna n ALA 101 Ca -0.07 -2.26 -0.40 0.00 0.00 0.00 0.00 53.44 50.71 2hna n ALA 101 Cb 0.26 -2.76 0.02 0.00 0.00 0.00 0.00 19.45 16.97 2hna n ALA 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hna n ILE 102 N 3.15 2.93 0.35 0.00 2.08 -1.26 -2.63 119.36 123.97 2hna n ILE 102 Ca 0.51 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2hna n ILE 102 Cb 0.51 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 2hna n ILE 102 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2hna n ASP 103 N -0.21 0.77 0.21 4.38 5.75 -1.26 -4.54 116.55 121.64 2hna n ASP 103 Ca 0.07 -0.69 0.15 0.00 -0.01 0.00 0.00 54.79 54.31 2hna n ASP 103 Cb 0.41 -0.17 0.80 0.00 -1.03 0.00 0.00 41.12 41.13 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 1.05 0.00 0.51 0.11 1.57 -1.89 -0.13 116.57 117.80 2hna h LYS 104 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2hna h LYS 104 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 2hna h LYS 104 CO 0.00 0.00 -0.25 1.25 -0.57 0.00 0.00 179.45 179.88 2hna h LEU 105 N 0.00 -0.58 -1.02 2.94 7.12 -1.93 -0.74 115.31 121.09 2hna h LEU 105 Ca 0.07 -0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 2hna h LEU 105 Cb 0.35 0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.59 2hna h LEU 105 CO -0.00 -0.30 0.57 -0.33 -0.13 0.00 0.00 178.44 178.25 2hna h GLU 106 N -0.86 1.24 -0.32 1.25 5.08 -1.72 -2.89 114.58 116.37 2hna h GLU 106 Ca -0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2hna h GLU 106 Cb 0.60 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2hna h GLU 106 CO 0.12 0.85 0.18 0.00 -1.00 0.00 0.00 179.01 179.16 2hna h ALA 107 N 1.37 0.40 -0.66 3.43 0.00 -0.87 -1.44 119.26 121.48 2hna h ALA 107 Ca 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2hna h ALA 107 Cb -0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2hna h ALA 107 CO -0.07 -0.08 0.29 0.93 0.00 0.00 0.00 179.25 180.32 2hna h GLU 108 N 0.40 0.96 -0.13 0.00 4.39 -0.96 -0.09 114.58 119.14 2hna h GLU 108 Ca 0.11 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2hna h GLU 108 Cb 0.04 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2hna h GLU 108 CO -0.02 0.76 0.04 -0.07 -1.16 0.00 0.00 179.01 178.56 2hna h LEU 109 N 0.95 0.19 -0.89 1.33 3.38 -1.23 0.48 115.31 119.52 2hna h LEU 109 Ca 0.23 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2hna h LEU 109 Cb 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hna h LEU 109 CO -0.02 0.35 -0.49 0.07 0.09 0.00 0.00 178.44 178.43 2hna h LYS 110 N 0.03 0.00 -0.48 1.13 2.10 -1.08 -1.82 116.57 116.45 2hna h LYS 110 Ca 0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 2hna h LYS 110 Cb 0.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 2hna h LYS 110 CO -0.00 0.49 -0.07 -0.97 -2.00 0.00 0.00 179.45 176.90 2hna h ASN 111 N 0.00 0.82 -0.51 7.07 -1.24 -0.88 -3.08 115.58 117.76 2hna h ASN 111 Ca -0.00 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 56.67 2hna h ASN 111 Cb 0.97 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2hna h ASN 111 CO 0.06 0.93 -0.08 0.28 -1.29 0.00 0.00 177.43 177.34 2hna h SER 112 N 0.77 0.95 0.00 1.15 0.02 -0.30 -3.47 113.55 112.67 2hna h SER 112 Ca 0.14 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2hna h SER 112 Cb 0.56 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2hna h SER 112 CO 0.03 1.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 2hna n GLY 113 N -0.28 0.35 3.76 -3.77 0.00 -0.74 -3.71 105.19 100.80 2hna n GLY 113 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 3.53 0.08 4.61 0.00 -1.11 -3.75 121.76 125.13 2hna s ALA 114 Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 2hna s ALA 114 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2hna s ALA 114 CO 0.00 -0.65 0.92 -1.59 0.00 0.00 0.00 175.76 174.44 2hna s LYS 115 N -1.19 4.64 -0.75 0.00 -2.85 -1.16 -4.03 119.74 114.41 2hna s LYS 115 Ca 0.53 1.37 -0.26 0.00 -1.00 0.00 0.00 55.97 56.60 2hna s LYS 115 Cb -0.40 -3.38 0.03 0.00 -2.06 0.00 0.00 37.83 32.02 2hna s LYS 115 CO 0.48 0.20 1.27 -1.14 0.10 0.00 0.00 175.35 176.25 2hna s GLN 116 N 0.11 3.21 0.41 1.78 0.74 -1.26 -1.08 119.66 123.56 2hna s GLN 116 Ca 0.46 -0.33 -0.24 0.00 0.05 0.00 0.00 55.36 55.30 2hna s GLN 116 Cb -0.22 -4.24 -0.09 0.00 1.10 0.00 0.00 33.01 29.55 2hna s GLN 116 CO 0.28 -2.13 1.09 0.99 -0.55 0.00 0.00 175.29 174.97 2hna s THR 117 N 5.57 3.52 0.00 -0.34 2.01 -1.11 -4.74 115.64 120.56 2hna s THR 117 Ca 0.35 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.53 2hna s THR 117 Cb -0.08 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2hna s THR 117 CO 0.13 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2hna n GLY 118 N 0.43 3.70 3.63 4.40 0.00 -1.26 -4.83 105.19 111.26 2hna n GLY 118 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 1.92 -0.18 1.61 -1.05 -1.26 -5.12 118.70 114.61 2hna s GLU 119 Ca 0.00 -1.50 -0.38 0.00 -0.15 0.00 0.00 54.97 52.93 2hna s GLU 119 Cb 0.00 0.51 -0.15 0.00 -0.44 0.00 0.00 34.13 34.05 2hna s GLU 119 CO 0.00 -0.84 1.72 2.41 0.95 0.00 0.00 175.26 179.50 2hna n THR 120 N -0.51 0.32 -2.65 1.83 -1.04 -1.26 -4.78 114.28 106.18 2hna n THR 120 Ca -0.03 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 2hna n THR 120 Cb 0.61 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 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 3.18 3.77 0.03 -4.42 0.20 0.11 -4.95 118.68 116.60 2hna s LEU 121 Ca 0.95 1.45 0.06 0.00 0.69 0.00 0.00 54.13 57.28 2hna s LEU 121 Cb -0.96 -4.35 -0.02 0.00 -0.43 0.00 0.00 46.19 40.43 2hna s LEU 121 CO 0.59 -0.46 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.48 2hna s LYS 122 N -3.76 1.17 0.12 1.98 1.02 -1.26 -0.71 119.74 118.30 2hna s LYS 122 Ca 0.57 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.69 2hna s LYS 122 Cb -0.10 -1.21 -0.00 0.00 -0.52 0.00 0.00 37.83 36.00 2hna s LYS 122 CO 0.27 0.31 0.23 0.96 -0.92 0.00 0.00 175.35 176.20 2hna s ILE 123 N -0.73 0.11 0.19 2.17 -0.00 -1.26 -3.81 121.20 117.87 2hna s ILE 123 Ca 0.05 -1.25 -0.23 0.00 -0.00 0.00 0.00 60.65 59.22 2hna s ILE 123 Cb -0.08 -1.53 0.07 0.00 -0.00 0.00 0.00 42.46 40.92 2hna s ILE 123 CO 0.01 -0.51 0.99 0.21 -0.00 0.00 0.00 174.94 175.64 2hna s ASN 124 N -2.90 -0.06 -0.10 4.36 3.84 -1.26 -4.43 114.94 114.39 2hna s ASN 124 Ca 0.10 -0.61 -0.21 0.00 0.21 0.00 0.00 52.86 52.35 2hna s ASN 124 Cb 0.04 0.52 0.05 0.00 -0.55 0.00 0.00 41.25 41.31 2hna s ASN 124 CO -0.07 -1.01 0.51 -0.51 -2.79 0.00 0.00 177.10 173.22 2hna s ILE 125 N -2.59 0.02 0.00 -5.21 2.07 -1.26 -4.96 121.20 109.27 2hna s ILE 125 Ca 0.18 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2hna s ILE 125 Cb -0.02 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.80 2hna s ILE 125 CO 0.05 -0.08 0.00 -0.11 -1.91 0.00 0.00 174.94 172.89 2hna n LEU 126 N 1.84 0.00 0.00 8.50 7.94 -1.26 -4.71 117.00 129.31 2hna n LEU 126 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.73 2hna n LEU 126 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2hna n LEU 126 CO 0.17 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.78 2hna n ASP 127 N 0.03 0.00 -4.32 1.96 2.03 -1.26 -5.19 116.55 109.80 2hna n ASP 127 Ca 0.00 -0.93 -0.21 0.00 0.52 0.00 0.00 54.79 54.17 2hna n ASP 127 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2hna n ASP 127 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2hna s HIS 128 N -5.82 1.75 0.25 -0.67 3.76 -1.26 -4.82 115.29 108.49 2hna s HIS 128 Ca 0.00 -0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 54.37 2hna s HIS 128 Cb 0.00 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.84 2hna s HIS 128 CO 0.00 0.31 0.42 -3.47 -0.85 0.00 0.00 174.74 171.15 2hna n ASP 129 N 0.22 -1.21 -0.21 1.40 2.03 -1.15 -5.05 116.55 112.59 2hna n ASP 129 Ca -0.13 -2.22 0.00 0.00 0.52 0.00 0.00 54.79 52.97 2hna n ASP 129 Cb 0.58 2.12 0.03 0.00 -0.72 0.00 0.00 41.12 43.13 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hna n ILE 130 N -0.39 -0.29 0.20 5.18 2.08 -1.26 -1.06 119.36 123.83 2hna n ILE 130 Ca -0.02 1.31 -0.15 0.00 0.56 0.00 0.00 62.75 64.45 2hna n ILE 130 Cb 0.41 -1.75 -0.08 0.00 -0.75 0.00 0.00 39.64 37.47 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 -0.44 0.00 0.38 0.13 -1.86 -3.49 132.00 126.72 2hna h PRO 131 Ca 0.21 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2hna h PRO 131 Cb 0.35 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2hna h PRO 131 CO -0.56 -0.29 0.00 -1.91 -0.23 0.00 0.00 178.00 175.00 2hna n GLU 132 N -5.29 0.00 0.00 0.86 2.13 -0.22 -4.92 120.64 113.20 2hna n GLU 132 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2hna n GLU 132 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.91 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 0.00 0.00 -4.68 4.31 2.03 -1.26 -2.92 116.55 114.03 2hna n ASP 133 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 2hna n ASP 133 Cb 0.00 0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.58 2.21 0.00 -0.67 -0.02 -1.26 -4.02 135.00 129.66 2hna n PRO 134 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2hna n PRO 134 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 3.05 2.35 -0.03 3.55 0.00 -1.25 -4.06 120.51 124.13 2hna n ALA 135 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2hna n ALA 135 Cb 0.30 0.11 0.26 0.00 0.00 0.00 0.00 19.45 20.12 2hna n ALA 135 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hna h GLU 136 N 0.00 0.59 -0.45 0.00 4.81 -1.90 -0.36 114.58 117.28 2hna h GLU 136 Ca 0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2hna h GLU 136 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2hna h GLU 136 CO 0.00 0.62 0.12 0.93 -0.73 0.00 0.00 179.01 179.95 2hna h GLU 137 N 0.56 0.71 0.05 1.92 3.07 -1.99 0.45 114.58 119.34 2hna h GLU 137 Ca 0.12 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2hna h GLU 137 Cb 0.38 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2hna h GLU 137 CO 0.01 0.70 -0.02 -1.49 -1.40 0.00 0.00 179.01 176.82 2hna h TRP 138 N 0.59 -0.06 -0.15 4.33 6.55 -1.74 -1.23 115.95 124.25 2hna h TRP 138 Ca 0.14 -0.00 0.04 0.00 0.95 0.00 0.00 58.89 60.02 2hna h TRP 138 Cb 0.31 0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.58 2hna h TRP 138 CO 0.02 0.22 -0.12 -0.07 -1.05 0.00 0.00 178.44 177.44 2hna h LEU 139 N -0.34 -0.38 0.03 -4.49 3.38 -0.99 0.26 115.31 112.77 2hna h LEU 139 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2hna h LEU 139 Cb 0.31 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2hna h LEU 139 CO 0.01 -0.16 -0.13 1.23 0.09 0.00 0.00 178.44 179.48 2hna h GLY 140 N -0.13 -0.18 0.89 0.83 0.00 -0.89 -0.13 103.07 103.46 2hna h GLY 140 Ca 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2hna h GLY 140 CO -0.23 -0.13 0.08 0.23 0.00 0.00 0.00 176.54 176.50 2hna h SER 141 N -0.23 0.41 -0.82 0.19 0.87 -0.93 0.12 113.55 113.17 2hna h SER 141 Ca 0.04 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2hna h SER 141 Cb 0.27 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2hna h SER 141 CO -0.11 0.51 0.45 -0.25 -0.53 0.00 0.00 176.83 176.90 2hna h TRP 142 N 0.29 1.13 -0.17 2.24 7.01 -0.80 -1.23 115.95 124.41 2hna h TRP 142 Ca 0.09 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2hna h TRP 142 Cb 0.25 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 2hna h TRP 142 CO 0.01 0.79 0.04 0.28 -2.79 0.00 0.00 178.44 176.76 2hna h VAL 143 N 1.15 1.21 0.00 2.65 2.07 -0.80 -3.01 116.25 119.53 2hna h VAL 143 Ca 0.29 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2hna h VAL 143 Cb 0.03 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2hna h VAL 143 CO -0.05 0.21 -0.01 0.78 0.02 0.00 0.00 177.57 178.52 2hna h ASN 144 N 0.08 0.00 1.08 0.57 2.35 0.15 0.42 115.58 120.23 2hna h ASN 144 Ca 0.05 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 2hna h ASN 144 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2hna h ASN 144 CO 0.00 0.01 -0.82 -0.07 -1.65 0.00 0.00 177.43 174.90 2hna h LEU 145 N 0.00 0.00 0.12 1.61 4.07 -1.15 -3.33 115.31 116.63 2hna h LEU 145 Ca -0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 2hna h LEU 145 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2hna h LEU 145 CO 0.00 0.82 -1.67 0.17 -1.08 0.00 0.00 178.44 176.68 2hna h LEU 146 N 0.00 0.38 0.00 1.67 8.10 -0.92 -3.52 115.31 121.03 2hna h LEU 146 Ca -0.01 -0.61 0.00 0.00 0.11 0.00 0.00 57.88 57.37 2hna h LEU 146 Cb 1.59 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.68 2hna h LEU 146 CO 0.11 1.52 0.00 0.29 -4.11 0.00 0.00 178.44 176.25