#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 2.44 -0.09 -5.12 0.00 -1.26 -4.76 121.76 112.96 2hna s ALA 2 Ca 0.00 0.81 0.21 0.00 0.00 0.00 0.00 51.96 52.97 2hna s ALA 2 Cb 0.00 -3.40 -0.28 0.00 0.00 0.00 0.00 23.12 19.44 2hna s ALA 2 CO 0.00 -1.32 0.47 -3.47 0.00 0.00 0.00 175.76 171.44 2hna n ASP 3 N -2.08 0.14 -3.90 0.00 2.03 0.59 -4.91 116.55 108.42 2hna n ASP 3 Ca 0.12 0.06 -0.20 0.00 0.52 0.00 0.00 54.79 55.29 2hna n ASP 3 Cb 0.51 1.52 -0.16 0.00 -0.72 0.00 0.00 41.12 42.27 2hna n ASP 3 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hna s ILE 4 N -3.25 0.55 -0.14 5.18 1.01 -1.08 -3.25 121.20 120.23 2hna s ILE 4 Ca -0.07 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 2hna s ILE 4 Cb 0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2hna s ILE 4 CO 0.88 0.23 0.55 0.28 0.00 0.00 0.00 174.94 176.87 2hna s THR 5 N 0.92 5.12 -0.53 2.92 -1.32 -1.04 -1.17 115.64 120.54 2hna s THR 5 Ca -0.11 1.08 -0.05 0.00 -1.21 0.00 0.00 61.69 61.40 2hna s THR 5 Cb -0.14 -3.88 0.14 0.00 -1.51 0.00 0.00 72.50 67.10 2hna s THR 5 CO 0.00 0.25 0.36 -0.76 -2.21 0.00 0.00 174.62 172.26 2hna s LEU 6 N 1.03 5.42 -0.02 9.08 2.01 -0.19 -1.53 118.68 134.49 2hna s LEU 6 Ca 0.28 -2.38 -0.25 0.00 0.01 0.00 0.00 54.13 51.79 2hna s LEU 6 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 2hna s LEU 6 CO 0.12 -0.50 0.78 -0.63 1.01 0.00 0.00 176.35 177.12 2hna s ILE 7 N 0.64 4.90 0.16 -0.59 -1.09 0.01 -1.18 121.20 124.06 2hna s ILE 7 Ca 0.12 1.63 0.03 0.00 -2.23 0.00 0.00 60.65 60.20 2hna s ILE 7 Cb -0.22 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 2hna s ILE 7 CO -0.03 0.27 0.11 -1.20 -1.23 0.00 0.00 174.94 172.85 2hna n SER 8 N 3.47 0.15 -2.49 3.58 7.64 -0.27 -0.69 113.62 125.01 2hna n SER 8 Ca -0.00 -1.98 -0.14 0.00 1.01 0.00 0.00 58.87 57.75 2hna n SER 8 Cb 0.51 0.66 0.05 0.00 -1.01 0.00 0.00 64.21 64.42 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 0.12 -0.02 0.31 0.23 0.00 -1.26 -3.87 105.19 100.70 2hna n GLY 9 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.60 -0.03 -0.08 1.61 0.02 -1.85 -0.59 113.55 111.02 2hna h SER 10 Ca -0.37 0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2hna h SER 10 Cb 1.23 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 2hna h SER 10 CO 0.35 -0.18 0.02 0.35 -1.14 0.00 0.00 176.83 176.23 2hna n THR 11 N -5.25 0.57 -3.40 -2.27 -2.24 -1.12 -3.15 114.28 97.43 2hna n THR 11 Ca 0.22 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.65 2hna n THR 11 Cb 0.71 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.14 -4.52 0.00 3.22 0.00 -0.33 -4.88 117.00 110.63 2hna n LEU 12 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 56.01 55.36 2hna n LEU 12 Cb 0.43 -3.09 0.00 0.00 0.00 0.00 0.00 43.42 40.76 2hna n LEU 12 CO 0.05 0.28 0.00 0.61 0.00 0.00 0.00 177.39 178.33 2hna n GLY 13 N -1.23 5.39 3.21 -3.96 0.00 -0.60 -5.12 105.19 102.87 2hna n GLY 13 Ca -0.20 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2hna n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hna s GLY 14 N 0.00 -0.12 0.00 -0.02 0.00 -1.26 -4.51 107.32 101.41 2hna s GLY 14 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2hna s GLY 14 CO 0.00 0.07 0.43 0.00 0.00 0.00 0.00 173.10 173.61 2hna n ALA 15 N 1.42 1.63 0.24 3.20 0.00 -1.26 -4.54 120.51 121.19 2hna n ALA 15 Ca -0.21 -0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.19 2hna n ALA 15 Cb 0.56 -0.08 0.84 0.00 0.00 0.00 0.00 19.45 20.78 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 0.00 -0.49 0.00 3.07 -1.94 -3.21 114.58 112.00 2hna h GLU 16 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 2hna h GLU 16 Cb 1.06 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.90 2hna h GLU 16 CO 0.00 0.00 0.04 -0.92 -1.40 0.00 0.00 179.01 176.73 2hna h TYR 17 N 0.00 0.05 0.04 4.33 3.20 -2.00 0.22 116.97 122.82 2hna h TYR 17 Ca 0.00 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.66 2hna h TYR 17 Cb 0.01 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2hna h TYR 17 CO 0.00 -0.06 -1.16 -0.24 -1.64 0.00 0.00 178.16 175.06 2hna h VAL 18 N 0.17 1.56 -0.35 1.81 3.04 -1.98 -3.21 116.25 117.28 2hna h VAL 18 Ca 0.25 -3.23 -0.05 0.00 -1.01 0.00 0.00 66.70 62.66 2hna h VAL 18 Cb 0.36 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 2hna h VAL 18 CO -0.37 0.91 0.02 0.00 -1.01 0.00 0.00 177.57 177.12 2hna h ALA 19 N 0.85 1.39 -0.36 3.17 0.00 -1.53 -2.32 119.26 120.46 2hna h ALA 19 Ca -0.08 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2hna h ALA 19 Cb 1.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2hna h ALA 19 CO 0.15 0.43 -0.28 1.49 0.00 0.00 0.00 179.25 181.04 2hna h GLU 20 N 0.52 0.75 -0.51 0.00 4.81 -0.62 0.67 114.58 120.20 2hna h GLU 20 Ca 0.11 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 2hna h GLU 20 Cb 0.30 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2hna h GLU 20 CO 0.01 0.94 0.08 1.25 -0.73 0.00 0.00 179.01 180.55 2hna h HIS 21 N 0.64 0.91 0.16 0.92 2.76 -1.47 0.09 115.15 119.17 2hna h HIS 21 Ca 0.08 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2hna h HIS 21 Cb 0.79 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2hna h HIS 21 CO 0.04 0.82 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.34 2hna h LEU 22 N 0.73 -0.19 -0.64 0.26 3.38 -1.24 -2.88 115.31 114.73 2hna h LEU 22 Ca 0.15 -0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.19 2hna h LEU 22 Cb 0.41 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2hna h LEU 22 CO 0.01 -0.07 0.19 0.00 0.09 0.00 0.00 178.44 178.67 2hna h ALA 23 N 0.53 0.82 0.15 1.53 0.00 -0.73 -0.23 119.26 121.33 2hna h ALA 23 Ca -0.02 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2hna h ALA 23 Cb 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2hna h ALA 23 CO 0.04 -0.26 -0.27 1.49 0.00 0.00 0.00 179.25 180.25 2hna h GLU 24 N 0.34 -0.49 -0.74 0.00 4.81 -0.86 -0.26 114.58 117.38 2hna h GLU 24 Ca 0.34 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 2hna h GLU 24 Cb 0.50 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2hna h GLU 24 CO -0.39 -0.32 0.33 0.87 -0.73 0.00 0.00 179.01 178.77 2hna h LYS 25 N -0.50 1.07 -0.93 1.92 1.79 -1.25 -0.66 116.57 118.00 2hna h LYS 25 Ca 0.02 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2hna h LYS 25 Cb 0.52 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 2hna h LYS 25 CO -0.14 0.85 0.56 -0.07 -1.08 0.00 0.00 179.45 179.57 2hna h LEU 26 N 1.06 1.13 -0.40 2.94 3.38 -0.61 -0.27 115.31 122.54 2hna h LEU 26 Ca 0.25 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2hna h LEU 26 Cb 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hna h LEU 26 CO -0.03 0.87 -0.67 -0.33 0.09 0.00 0.00 178.44 178.37 2hna h GLU 27 N 1.29 0.55 -0.12 1.13 5.08 -0.47 -2.68 114.58 119.37 2hna h GLU 27 Ca 0.33 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2hna h GLU 27 Cb -0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2hna h GLU 27 CO -0.06 1.03 -0.02 0.93 -1.00 0.00 0.00 179.01 179.89 2hna h GLU 28 N 0.39 0.16 0.00 2.33 4.39 -0.83 -1.66 114.58 119.37 2hna h GLU 28 Ca -0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2hna h GLU 28 Cb 1.24 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2hna h GLU 28 CO 0.12 0.20 -0.08 0.00 -1.16 0.00 0.00 179.01 178.10 2hna h ALA 29 N 1.83 1.02 0.00 3.43 0.00 -0.72 -3.46 119.26 121.35 2hna h ALA 29 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hna h ALA 29 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hna h ALA 29 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2hna n GLY 30 N 0.05 0.36 0.00 0.00 0.00 -0.63 -5.10 105.19 99.88 2hna n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.88 -4.22 1.61 3.72 -1.10 -4.99 117.46 109.60 2hna n PHE 31 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 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 0.61 1.30 0.04 4.37 -4.23 -1.26 -4.34 115.64 112.13 2hna s THR 32 Ca 0.00 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2hna s THR 32 Cb 0.00 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 2hna s THR 32 CO 0.00 -0.16 0.06 0.42 -0.54 0.00 0.00 174.62 174.40 2hna s THR 33 N -1.21 0.15 -0.49 3.99 -4.23 -1.26 -0.30 115.64 112.29 2hna s THR 33 Ca 0.01 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2hna s THR 33 Cb -0.10 -0.97 0.13 0.00 1.34 0.00 0.00 72.50 72.90 2hna s THR 33 CO 0.03 -0.68 0.24 -0.70 -0.54 0.00 0.00 174.62 172.97 2hna s GLU 34 N -2.82 1.82 -0.05 3.99 2.56 -0.32 -4.79 118.70 119.10 2hna s GLU 34 Ca -0.03 -2.47 -0.30 0.00 0.00 0.00 0.00 54.97 52.17 2hna s GLU 34 Cb 0.00 -3.14 -0.05 0.00 2.00 0.00 0.00 34.13 32.94 2hna s GLU 34 CO -0.06 -1.11 1.61 0.99 -0.56 0.00 0.00 175.26 176.14 2hna s THR 35 N -0.10 3.60 0.20 -1.70 2.01 -1.26 -1.03 115.64 117.36 2hna s THR 35 Ca 0.17 0.76 -0.08 0.00 0.31 0.00 0.00 61.69 62.85 2hna s THR 35 Cb -0.25 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 2hna s THR 35 CO -0.01 -0.06 0.31 -0.76 -0.69 0.00 0.00 174.62 173.41 2hna s LEU 36 N 3.81 0.79 -0.36 4.42 1.43 -0.33 -4.97 118.68 123.47 2hna s LEU 36 Ca 0.72 -1.05 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2hna s LEU 36 Cb -0.33 1.16 0.53 0.00 0.03 0.00 0.00 46.19 47.58 2hna s LEU 36 CO 0.29 -0.97 1.60 0.00 0.23 0.00 0.00 176.35 177.49 2hna n HIS 37 N -0.29 1.88 -3.80 0.29 1.44 -1.26 -1.12 115.22 112.36 2hna n HIS 37 Ca -0.02 -1.87 -0.23 0.00 -2.01 0.00 0.00 57.72 53.59 2hna n HIS 37 Cb 0.63 -0.68 0.01 0.00 0.12 0.00 0.00 29.99 30.08 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 -1.08 -0.27 0.30 -1.39 0.00 -1.25 -4.73 105.19 96.78 2hna n GLY 38 Ca 0.43 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.77 2hna n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hna h PRO 39 N -1.86 0.00 0.00 1.61 0.13 -1.94 -2.16 132.00 127.78 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 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2hna h PRO 39 CO 0.59 0.02 -0.00 1.28 -0.23 0.00 0.00 178.00 179.66 2hna n LEU 40 N -3.20 2.09 0.00 1.56 4.77 -1.26 -4.99 117.00 115.97 2hna n LEU 40 Ca -0.01 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 2hna n LEU 40 Cb 0.19 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2hna n LEU 40 CO 0.25 0.56 0.00 -0.11 -1.33 0.00 0.00 177.39 176.75 2hna n LEU 41 N -0.76 0.00 -2.80 2.23 7.94 -0.81 -4.53 117.00 118.27 2hna n LEU 41 Ca 0.04 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2hna n LEU 41 Cb 0.36 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.32 2hna n LEU 41 CO 0.00 0.00 0.27 -1.83 -1.11 0.00 0.00 177.39 174.72 2hna s GLU 42 N 0.00 0.67 0.15 1.96 -1.05 -1.26 -4.98 118.70 114.20 2hna s GLU 42 Ca 0.00 -0.57 -0.14 0.00 -0.15 0.00 0.00 54.97 54.12 2hna s GLU 42 Cb 0.00 -0.01 0.04 0.00 -0.44 0.00 0.00 34.13 33.72 2hna s GLU 42 CO 0.00 -0.86 1.72 0.22 0.95 0.00 0.00 175.26 177.29 2hna h ASP 43 N 5.11 0.68 -3.43 0.83 3.58 -1.96 -3.41 116.42 117.82 2hna h ASP 43 Ca 0.03 -0.16 -0.53 0.00 0.42 0.00 0.00 57.03 56.79 2hna h ASP 43 Cb 1.15 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2hna h ASP 43 CO -0.02 0.65 -0.09 -0.76 -2.88 0.00 0.00 179.24 176.14 2hna s LEU 44 N -9.80 4.11 0.00 2.28 1.43 -1.26 -5.09 118.68 110.35 2hna s LEU 44 Ca -0.13 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2hna s LEU 44 Cb 0.12 -3.70 0.17 0.00 0.03 0.00 0.00 46.19 42.80 2hna s LEU 44 CO 0.77 -0.13 0.54 -0.81 0.23 0.00 0.00 176.35 176.95 2hna n PRO 45 N -0.40 -2.52 0.00 1.29 -0.04 -1.26 -4.85 135.00 127.22 2hna n PRO 45 Ca 0.00 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 2hna n PRO 45 Cb 0.53 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 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 -4.12 2.00 -3.68 0.55 0.00 -1.26 -4.54 120.51 109.45 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 0.31 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 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 0.97 -0.49 0.00 0.00 0.01 -1.26 -3.70 113.70 109.22 2hna s SER 47 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2hna s SER 47 Cb 0.00 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.23 2hna s SER 47 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2hna n GLY 48 N 4.59 0.36 3.09 3.44 0.00 -1.16 -4.91 105.19 110.60 2hna n GLY 48 Ca -0.19 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.82 1.23 -0.10 -0.61 -1.09 -1.20 -2.95 121.20 113.65 2hna s ILE 49 Ca 0.00 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 2hna s ILE 49 Cb 0.00 -1.06 -0.00 0.00 -1.58 0.00 0.00 42.46 39.82 2hna s ILE 49 CO 0.00 0.36 -0.23 0.26 -1.23 0.00 0.00 174.94 174.10 2hna s TRP 50 N 0.08 2.58 -0.05 3.97 0.52 -0.06 -2.48 118.94 123.49 2hna s TRP 50 Ca -0.03 -1.02 0.04 0.00 0.02 0.00 0.00 56.10 55.11 2hna s TRP 50 Cb -0.10 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 2hna s TRP 50 CO 0.02 -0.40 -0.15 -0.51 0.02 0.00 0.00 176.95 175.92 2hna s LEU 51 N 0.34 1.84 -0.29 2.99 1.43 -0.58 -1.42 118.68 122.99 2hna s LEU 51 Ca -0.18 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2hna s LEU 51 Cb -0.18 -0.92 0.09 0.00 0.03 0.00 0.00 46.19 45.21 2hna s LEU 51 CO 0.09 0.11 0.04 -0.69 0.23 0.00 0.00 176.35 176.13 2hna s VAL 52 N 0.24 1.39 -0.08 -1.59 1.01 -0.28 -0.81 120.40 120.28 2hna s VAL 52 Ca -0.08 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 2hna s VAL 52 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2hna s VAL 52 CO 0.03 -0.46 1.06 -0.63 0.00 0.00 0.00 175.10 175.09 2hna s ILE 53 N 1.39 4.64 0.36 2.22 1.09 0.13 -1.16 121.20 129.87 2hna s ILE 53 Ca 0.05 1.92 -0.16 0.00 -1.10 0.00 0.00 60.65 61.35 2hna s ILE 53 Cb -0.18 -4.23 0.05 0.00 -1.06 0.00 0.00 42.46 37.03 2hna s ILE 53 CO -0.14 0.02 0.76 -0.44 -0.10 0.00 0.00 174.94 175.04 2hna s SER 54 N 1.18 -0.02 -0.43 3.58 0.01 -0.71 -4.39 113.70 112.92 2hna s SER 54 Ca 0.51 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.80 2hna s SER 54 Cb -0.20 0.82 0.28 0.00 0.21 0.00 0.00 66.02 67.13 2hna s SER 54 CO 0.20 -1.61 0.80 -1.20 0.41 0.00 0.00 173.24 171.84 2hna n SER 55 N -1.21 -1.10 0.03 2.44 7.64 -1.26 -2.71 113.62 117.45 2hna n SER 55 Ca -0.07 -3.15 0.22 0.00 1.01 0.00 0.00 58.87 56.88 2hna n SER 55 Cb 0.60 0.62 0.72 0.00 -1.01 0.00 0.00 64.21 65.13 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 2.29 0.37 -0.82 0.44 1.35 -1.87 -0.08 112.91 114.59 2hna h THR 56 Ca -0.02 0.00 -0.39 0.00 -0.55 0.00 0.00 66.41 65.45 2hna h THR 56 Cb 0.99 0.59 -0.41 0.00 -1.73 0.00 0.00 68.15 67.59 2hna h THR 56 CO 0.36 0.00 -1.03 1.41 -0.25 0.00 0.00 175.52 176.02 2hna n HIS 57 N -3.75 1.84 0.00 4.73 8.25 -1.26 -3.89 115.22 121.14 2hna n HIS 57 Ca 0.10 -2.49 0.00 0.00 -0.26 0.00 0.00 57.72 55.07 2hna n HIS 57 Cb 0.73 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.45 0.18 2.62 -1.41 0.00 -0.38 -4.86 105.19 100.89 2hna n GLY 58 Ca 0.20 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.19 0.15 -3.77 4.61 0.00 -0.18 -5.08 120.51 115.05 2hna n ALA 59 Ca 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 53.44 51.48 2hna n ALA 59 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 2hna n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hna s GLY 60 N -1.55 -0.16 -1.15 0.00 0.00 -1.08 -4.48 107.32 98.90 2hna s GLY 60 Ca 0.26 -0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.57 2hna s GLY 60 CO -0.06 -0.07 1.58 -0.35 0.00 0.00 0.00 173.10 174.20 2hna s ASP 61 N -2.90 6.66 0.37 1.64 2.15 -1.26 -4.85 116.67 118.48 2hna s ASP 61 Ca 0.10 -1.92 0.23 0.00 0.43 0.00 0.00 52.55 51.39 2hna s ASP 61 Cb -0.05 -2.57 1.32 0.00 -0.30 0.00 0.00 42.92 41.32 2hna s ASP 61 CO 0.04 -1.35 1.50 2.30 -0.17 0.00 0.00 175.17 177.49 2hna n ILE 62 N 6.64 -0.35 1.17 4.11 -5.35 -1.25 -0.28 119.36 124.05 2hna n ILE 62 Ca 0.40 1.87 0.14 0.00 -0.27 0.00 0.00 62.75 64.89 2hna n ILE 62 Cb 0.49 -3.04 0.64 0.00 -1.74 0.00 0.00 39.64 35.98 2hna n ILE 62 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2hna n PRO 63 N -4.99 0.20 0.00 6.28 -0.04 -1.26 -4.34 135.00 130.84 2hna n PRO 63 Ca 0.37 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2hna n PRO 63 Cb 1.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 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 -1.38 0.00 0.00 3.54 2.03 -0.41 -4.78 116.55 115.55 2hna n ASP 64 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2hna n ASP 64 Cb 0.30 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.61 0.00 -3.98 1.67 5.15 0.62 -4.16 115.26 112.95 2hna n ASN 65 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2hna n ASN 65 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2hna n ASN 65 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2hna n LEU 66 N 0.00 6.34 0.04 1.20 7.99 -1.26 -2.78 117.00 128.53 2hna n LEU 66 Ca 0.00 -4.32 -0.13 0.00 -0.01 0.00 0.00 56.01 51.55 2hna n LEU 66 Cb 0.00 -1.61 -0.09 0.00 -0.11 0.00 0.00 43.42 41.62 2hna n LEU 66 CO 0.00 1.02 0.65 0.28 -1.51 0.00 0.00 177.39 177.83 2hna h SER 67 N 6.26 -0.10 -0.04 -1.43 0.02 -1.70 -0.03 113.55 116.53 2hna h SER 67 Ca 0.47 -0.31 -0.22 0.00 -0.84 0.00 0.00 61.79 60.89 2hna h SER 67 Cb 0.69 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2hna h SER 67 CO 1.67 0.27 -0.78 1.55 -1.14 0.00 0.00 176.83 178.39 2hna h PRO 68 N -0.47 0.70 0.17 3.45 0.13 -1.89 -3.32 132.00 130.77 2hna h PRO 68 Ca -0.01 -0.58 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2hna h PRO 68 Cb 0.40 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2hna h PRO 68 CO 0.02 1.19 -0.08 0.74 -0.23 0.00 0.00 178.00 179.64 2hna h PHE 69 N 0.47 -0.22 -0.40 1.56 -1.00 -1.84 -1.38 116.94 114.14 2hna h PHE 69 Ca -0.05 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.74 2hna h PHE 69 Cb 1.40 0.07 -0.02 0.00 3.61 0.00 0.00 35.95 41.01 2hna h PHE 69 CO 0.08 0.07 0.24 -0.92 -1.61 0.00 0.00 178.31 176.17 2hna h TYR 70 N -0.50 0.46 -0.04 -0.55 3.20 -1.14 0.18 116.97 118.58 2hna h TYR 70 Ca -0.02 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2hna h TYR 70 Cb 0.38 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2hna h TYR 70 CO 0.01 0.28 0.01 0.93 -1.64 0.00 0.00 178.16 177.75 2hna h GLU 71 N 0.50 0.05 -0.45 1.82 5.08 -1.65 -2.67 114.58 117.26 2hna h GLU 71 Ca 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2hna h GLU 71 Cb -0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2hna h GLU 71 CO -0.06 0.21 0.16 0.00 -1.00 0.00 0.00 179.01 178.33 2hna h ALA 72 N 0.84 1.44 0.62 3.43 0.00 -0.90 -2.19 119.26 122.51 2hna h ALA 72 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2hna h ALA 72 Cb 0.18 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hna h ALA 72 CO -0.00 0.42 -0.30 -0.07 0.00 0.00 0.00 179.25 179.30 2hna h LEU 73 N 0.65 -0.71 -1.93 0.00 3.38 -0.47 -2.68 115.31 113.55 2hna h LEU 73 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2hna h LEU 73 Cb 0.16 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2hna h LEU 73 CO -0.01 -0.49 -0.10 1.56 0.09 0.00 0.00 178.44 179.49 2hna h GLN 74 N -0.86 0.00 -0.15 1.13 4.20 -1.36 0.25 115.11 118.31 2hna h GLN 74 Ca -0.09 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2hna h GLN 74 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2hna h GLN 74 CO 0.14 0.10 -0.43 1.49 -0.67 0.00 0.00 178.83 179.46 2hna h GLU 75 N 0.00 0.35 0.00 1.46 4.81 -1.06 -3.38 114.58 116.77 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 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2hna h GLU 75 CO 0.01 0.72 -0.77 0.00 -0.73 0.00 0.00 179.01 178.25 2hna n GLN 76 N -4.01 1.69 -3.58 1.92 10.64 -1.04 -5.07 117.38 117.93 2hna n GLN 76 Ca -0.02 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.96 2hna n GLN 76 Cb 0.51 -0.89 0.01 0.00 -0.86 0.00 0.00 30.24 29.01 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 -1.25 -0.70 -0.80 2.61 5.02 0.85 -4.85 118.16 119.04 2hna n LYS 77 Ca 0.00 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2hna n LYS 77 Cb 0.07 -0.94 0.19 0.00 -0.02 0.00 0.00 35.03 34.33 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 -5.04 0.33 -1.55 1.97 0.04 -1.26 -4.86 135.00 124.62 2hna s PRO 78 Ca 0.14 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2hna s PRO 78 Cb -0.08 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2hna s PRO 78 CO 0.48 -2.94 2.66 -3.47 0.04 0.00 0.00 177.00 173.77 2hna n ASP 79 N -4.39 6.85 0.00 6.66 2.03 -1.26 -4.34 116.55 122.10 2hna n ASP 79 Ca 0.07 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.69 2hna n ASP 79 Cb 0.54 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 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 4.51 0.00 0.00 -2.67 7.99 -1.25 -4.07 117.00 121.51 2hna n LEU 80 Ca 0.68 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.71 2hna n LEU 80 Cb 0.29 0.00 0.18 0.00 -0.11 0.00 0.00 43.42 43.78 2hna n LEU 80 CO 0.87 0.00 0.46 -1.20 -1.51 0.00 0.00 177.39 176.02 2hna n SER 81 N -0.50 0.00 -0.01 -1.43 7.64 -1.25 -0.94 113.62 117.13 2hna n SER 81 Ca 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2hna n SER 81 Cb 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.12 2.05 -2.50 -0.43 0.00 -1.25 -4.98 120.51 112.28 2hna n ALA 82 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 53.44 52.33 2hna n ALA 82 Cb 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.91 1.42 -0.05 0.00 0.11 -0.12 -3.00 120.40 117.86 2hna s VAL 83 Ca 0.00 -1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 57.32 2hna s VAL 83 Cb 0.00 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2hna s VAL 83 CO 0.00 -0.37 0.09 0.00 -3.33 0.00 0.00 175.10 171.50 2hna s ARG 84 N -2.58 3.18 0.15 1.54 1.04 -1.15 -3.24 118.95 117.88 2hna s ARG 84 Ca 0.09 -0.37 0.04 0.00 -1.04 0.00 0.00 55.73 54.45 2hna s ARG 84 Cb -0.06 -2.95 -0.04 0.00 -2.04 0.00 0.00 34.95 29.87 2hna s ARG 84 CO 0.04 0.69 0.20 0.12 -0.04 0.00 0.00 175.30 176.31 2hna s PHE 85 N -1.11 3.31 -0.15 5.89 5.36 0.36 -0.88 117.98 130.75 2hna s PHE 85 Ca 0.20 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 56.18 2hna s PHE 85 Cb -0.12 -1.59 0.07 0.00 -0.34 0.00 0.00 43.02 41.04 2hna s PHE 85 CO 0.10 0.52 0.21 0.20 -1.46 0.00 0.00 175.22 174.79 2hna s GLY 86 N -3.12 -0.01 0.18 13.12 0.00 -0.51 -3.27 107.32 113.72 2hna s GLY 86 Ca 0.33 0.50 -0.30 0.00 0.00 0.00 0.00 44.72 45.25 2hna s GLY 86 CO 0.26 1.96 1.30 0.00 0.00 0.00 0.00 173.10 176.62 2hna s ALA 87 N 2.34 3.51 -0.14 3.20 0.00 -1.26 -1.12 121.76 128.28 2hna s ALA 87 Ca 0.04 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 2hna s ALA 87 Cb -0.14 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.54 2hna s ALA 87 CO -0.09 -0.52 -0.05 0.42 0.00 0.00 0.00 175.76 175.52 2hna s ILE 88 N 0.21 0.96 0.00 0.00 1.01 -0.31 -0.83 121.20 122.25 2hna s ILE 88 Ca 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2hna s ILE 88 Cb -0.36 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2hna s ILE 88 CO 0.37 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2hna n GLY 89 N 4.94 2.62 3.67 6.18 0.00 0.26 -1.73 105.19 121.12 2hna n GLY 89 Ca -0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.98 0.10 -0.11 -0.61 5.41 -1.10 -4.29 119.36 116.77 2hna n ILE 90 Ca 0.00 -0.03 -0.17 0.00 1.00 0.00 0.00 62.75 63.55 2hna n ILE 90 Cb 0.00 -1.56 -0.13 0.00 -0.71 0.00 0.00 39.64 37.24 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 3.31 -0.45 0.40 7.39 0.00 -1.26 -4.04 105.19 110.54 2hna n GLY 91 Ca 0.16 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2hna n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hna h SER 92 N 0.01 0.30 0.51 1.61 0.02 -1.89 -1.37 113.55 112.74 2hna h SER 92 Ca -0.56 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 2hna h SER 92 Cb 1.95 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 2hna h SER 92 CO -0.06 0.14 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.50 2hna h ARG 93 N 0.31 0.00 0.00 3.45 9.65 -1.93 -3.41 114.38 122.45 2hna h ARG 93 Ca 0.40 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.28 2hna h ARG 93 Cb 1.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2hna h ARG 93 CO -0.11 0.18 0.00 0.39 2.80 0.00 0.00 179.97 183.23 2hna n GLU 94 N -3.63 0.00 0.00 0.20 -0.58 -0.53 -5.05 120.64 111.05 2hna n GLU 94 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2hna n GLU 94 Cb 0.31 -0.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 2hna n GLU 94 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 2hna n TYR 95 N -2.09 0.00 -0.25 -0.32 4.11 -1.15 -4.96 117.16 112.50 2hna n TYR 95 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.79 2hna n TYR 95 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.40 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2hna n ASP 96 N -0.29 4.45 -4.70 9.48 2.03 -1.21 -4.94 116.55 121.38 2hna n ASP 96 Ca 0.00 -2.76 -0.54 0.00 0.52 0.00 0.00 54.79 52.01 2hna n ASP 96 Cb 0.00 -0.80 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 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 0.12 0.41 -0.72 5.18 -2.24 -1.26 -4.72 114.28 111.04 2hna n THR 97 Ca 0.24 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.65 2hna n THR 97 Cb 0.81 -1.47 0.21 0.00 -2.10 0.00 0.00 70.33 67.78 2hna n THR 97 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2hna s PHE 98 N 3.83 1.61 0.00 4.78 5.36 -1.26 -4.88 117.98 127.43 2hna s PHE 98 Ca 0.97 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 58.30 2hna s PHE 98 Cb -0.94 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 2hna s PHE 98 CO 0.61 -3.29 1.07 0.00 -1.46 0.00 0.00 175.22 172.14 2hna n GLY 100 N 1.62 0.00 3.68 0.00 0.00 -1.26 -5.17 105.19 104.06 2hna n GLY 100 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna s ALA 101 N 0.00 1.58 -0.20 4.61 0.00 -1.03 -4.62 121.76 122.10 2hna s ALA 101 Ca 0.00 0.67 0.15 0.00 0.00 0.00 0.00 51.96 52.78 2hna s ALA 101 Cb 0.00 -3.46 0.50 0.00 0.00 0.00 0.00 23.12 20.16 2hna s ALA 101 CO 0.00 -2.62 1.41 1.51 0.00 0.00 0.00 175.76 176.05 2hna n ILE 102 N -3.96 2.31 0.20 0.00 0.13 -1.26 -4.64 119.36 112.14 2hna n ILE 102 Ca 0.12 -2.10 0.12 0.00 -1.10 0.00 0.00 62.75 59.79 2hna n ILE 102 Cb 0.52 -0.27 0.66 0.00 -0.84 0.00 0.00 39.64 39.70 2hna n ILE 102 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2hna h ASP 103 N 1.44 0.00 -0.21 9.51 2.03 -1.93 -0.58 116.42 126.68 2hna h ASP 103 Ca 0.05 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.41 2hna h ASP 103 Cb 1.46 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.95 2hna h ASP 103 CO 0.24 0.00 0.23 0.11 -1.03 0.00 0.00 179.24 178.79 2hna h LYS 104 N 0.00 0.00 0.86 4.15 1.57 -1.97 -2.31 116.57 118.87 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2hna h LYS 104 CO 0.00 0.00 -0.45 1.25 -0.57 0.00 0.00 179.45 179.68 2hna h LEU 105 N 0.00 -1.08 -1.15 2.94 7.12 -1.50 -0.12 115.31 121.52 2hna h LEU 105 Ca 0.10 0.05 0.03 0.00 0.13 0.00 0.00 57.88 58.18 2hna h LEU 105 Cb 0.55 0.29 -0.05 0.00 -0.53 0.00 0.00 40.66 40.92 2hna h LEU 105 CO -0.00 -0.73 0.58 -0.33 -0.13 0.00 0.00 178.44 177.83 2hna h GLU 106 N -1.20 1.09 -0.31 1.25 3.07 -1.73 -2.89 114.58 113.86 2hna h GLU 106 Ca -0.12 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2hna h GLU 106 Cb 0.93 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 2hna h GLU 106 CO 0.17 0.72 0.20 0.00 -1.40 0.00 0.00 179.01 178.71 2hna h ALA 107 N 1.48 0.39 -0.46 3.43 0.00 -1.08 -1.35 119.26 121.66 2hna h ALA 107 Ca 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2hna h ALA 107 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2hna h ALA 107 CO -0.10 -0.14 0.01 0.93 0.00 0.00 0.00 179.25 179.96 2hna h GLU 108 N 0.42 0.75 -0.25 0.00 4.39 -0.83 0.45 114.58 119.51 2hna h GLU 108 Ca 0.11 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2hna h GLU 108 Cb -0.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2hna h GLU 108 CO -0.02 0.75 0.13 -0.07 -1.16 0.00 0.00 179.01 178.64 2hna h LEU 109 N 0.71 0.31 -0.70 1.33 3.38 -1.26 0.72 115.31 119.80 2hna h LEU 109 Ca 0.14 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2hna h LEU 109 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2hna h LEU 109 CO 0.02 0.31 -0.41 0.11 0.09 0.00 0.00 178.44 178.56 2hna h LYS 110 N 0.29 0.53 -0.44 1.13 1.57 -0.87 -2.21 116.57 116.57 2hna h LYS 110 Ca 0.09 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 2hna h LYS 110 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2hna h LYS 110 CO -0.01 0.84 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.71 2hna h ASN 111 N 0.43 0.70 -0.20 0.86 -1.24 -0.78 -2.98 115.58 112.37 2hna h ASN 111 Ca 0.04 -0.17 -0.10 0.00 0.71 0.00 0.00 56.30 56.77 2hna h ASN 111 Cb 0.90 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.75 2hna h ASN 111 CO 0.08 0.79 -0.20 0.28 -1.29 0.00 0.00 177.43 177.08 2hna h SER 112 N 0.68 0.65 0.00 1.15 0.02 -0.27 -3.47 113.55 112.30 2hna h SER 112 Ca 0.13 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2hna h SER 112 Cb 0.47 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2hna h SER 112 CO 0.02 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2hna n GLY 113 N -0.36 0.26 3.77 -3.77 0.00 -0.92 -3.74 105.19 100.43 2hna n GLY 113 Ca 0.00 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 3.48 0.29 4.61 0.00 -1.16 -3.84 121.76 125.14 2hna s ALA 114 Ca 0.00 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.95 2hna s ALA 114 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 2hna s ALA 114 CO 0.00 -0.55 0.80 -1.59 0.00 0.00 0.00 175.76 174.43 2hna s LYS 115 N -1.72 4.28 -0.66 0.00 -2.85 -1.20 -4.29 119.74 113.30 2hna s LYS 115 Ca 0.48 0.97 -0.20 0.00 -1.00 0.00 0.00 55.97 56.22 2hna s LYS 115 Cb -0.38 -2.70 0.10 0.00 -2.06 0.00 0.00 37.83 32.79 2hna s LYS 115 CO 0.51 0.27 0.83 -1.14 0.10 0.00 0.00 175.35 175.92 2hna s GLN 116 N -2.32 3.15 0.52 1.78 0.74 -1.26 -0.49 119.66 121.78 2hna s GLN 116 Ca 0.49 -1.30 -0.19 0.00 0.05 0.00 0.00 55.36 54.42 2hna s GLN 116 Cb -0.15 -4.34 -0.07 0.00 1.10 0.00 0.00 33.01 29.55 2hna s GLN 116 CO 0.20 -1.63 1.04 0.99 -0.55 0.00 0.00 175.29 175.33 2hna s THR 117 N 2.94 3.87 0.00 -0.34 2.01 -1.20 -4.74 115.64 118.18 2hna s THR 117 Ca 0.17 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.23 2hna s THR 117 Cb -0.19 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2hna s THR 117 CO 0.05 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.23 2hna n GLY 118 N -0.58 2.98 3.46 4.40 0.00 -1.26 -4.75 105.19 109.44 2hna n GLY 118 Ca 0.09 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 1.91 -0.12 1.61 -1.05 -1.26 -5.11 118.70 114.68 2hna s GLU 119 Ca 0.00 -1.82 -0.35 0.00 -0.15 0.00 0.00 54.97 52.66 2hna s GLU 119 Cb 0.00 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 34.00 2hna s GLU 119 CO 0.00 -0.78 1.89 2.41 0.95 0.00 0.00 175.26 179.73 2hna n THR 120 N -0.58 0.55 -2.48 1.83 -1.04 -1.26 -4.81 114.28 106.49 2hna n THR 120 Ca 0.02 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 2hna n THR 120 Cb 0.62 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 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 4.24 3.77 0.00 -4.42 0.20 -0.01 -4.93 118.68 117.53 2hna s LEU 121 Ca 0.94 1.83 0.00 0.00 0.69 0.00 0.00 54.13 57.60 2hna s LEU 121 Cb -0.72 -4.55 -0.00 0.00 -0.43 0.00 0.00 46.19 40.48 2hna s LEU 121 CO 0.53 -0.77 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.26 2hna s LYS 122 N -3.47 0.17 0.11 1.98 1.02 -1.26 -0.58 119.74 117.70 2hna s LYS 122 Ca 0.65 -0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.36 2hna s LYS 122 Cb -0.14 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2hna s LYS 122 CO 0.23 0.02 0.28 0.96 -0.92 0.00 0.00 175.35 175.92 2hna s ILE 123 N -0.29 0.11 0.38 2.17 -5.25 -1.14 -4.24 121.20 112.94 2hna s ILE 123 Ca -0.02 -0.93 -0.14 0.00 -0.99 0.00 0.00 60.65 58.56 2hna s ILE 123 Cb -0.02 -1.28 0.06 0.00 2.95 0.00 0.00 42.46 44.17 2hna s ILE 123 CO -0.00 -0.51 0.76 -3.20 -1.79 0.00 0.00 174.94 170.20 2hna n ASN 124 N -0.13 -2.21 0.00 4.36 2.85 -1.11 -4.27 115.26 114.75 2hna n ASN 124 Ca -0.15 -2.53 0.00 0.00 -0.11 0.00 0.00 54.58 51.79 2hna n ASN 124 Cb 0.63 3.68 0.00 0.00 1.24 0.00 0.00 39.78 45.33 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 -0.51 0.21 -3.87 -1.44 -5.35 -1.26 -4.95 119.36 102.19 2hna n ILE 125 Ca -0.08 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.79 2hna n ILE 125 Cb 0.57 1.06 -0.12 0.00 -1.74 0.00 0.00 39.64 39.41 2hna n ILE 125 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2hna s LEU 126 N -0.21 1.72 0.18 7.28 1.98 -1.26 -5.13 118.68 123.24 2hna s LEU 126 Ca 0.00 -0.03 -0.33 0.00 -2.89 0.00 0.00 54.13 50.88 2hna s LEU 126 Cb 0.00 0.37 -0.14 0.00 0.66 0.00 0.00 46.19 47.09 2hna s LEU 126 CO 0.00 -0.16 1.52 -0.67 -1.89 0.00 0.00 176.35 175.15 2hna n ASP 127 N 2.39 2.95 -2.07 3.68 2.03 -1.26 -4.39 116.55 119.88 2hna n ASP 127 Ca -0.17 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.24 2hna n ASP 127 Cb 0.58 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 2hna n ASP 127 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2hna n HIS 128 N 2.96 0.00 -3.07 -0.67 -0.00 -1.26 -4.99 115.22 108.19 2hna n HIS 128 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2hna n HIS 128 Cb 0.29 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.64 2hna n HIS 128 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2hna n ASP 129 N 1.73 1.23 -0.25 0.26 8.00 -1.26 -5.00 116.55 121.26 2hna n ASP 129 Ca 0.00 -0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.42 2hna n ASP 129 Cb 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 2hna n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2hna h ILE 130 N 0.07 0.18 0.00 0.53 1.08 -1.96 -3.33 117.51 114.07 2hna h ILE 130 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2hna h ILE 130 Cb 0.00 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 2hna h ILE 130 CO 0.00 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.65 2hna n PRO 131 N -5.47 0.00 -3.52 2.37 -0.04 -1.26 -5.05 135.00 122.03 2hna n PRO 131 Ca 0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2hna n PRO 131 Cb 0.37 -0.02 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 2hna n PRO 131 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hna s GLU 132 N 0.00 0.75 -0.10 0.54 0.41 -1.25 -4.96 118.70 114.09 2hna s GLU 132 Ca 0.00 -0.22 -0.18 0.00 -0.41 0.00 0.00 54.97 54.16 2hna s GLU 132 Cb 0.00 0.35 -0.16 0.00 -1.78 0.00 0.00 34.13 32.54 2hna s GLU 132 CO 0.00 -0.31 0.60 0.22 -0.49 0.00 0.00 175.26 175.27 2hna h ASP 133 N 2.09 -0.06 -4.14 -0.19 3.58 -1.86 -2.91 116.42 112.94 2hna h ASP 133 Ca -0.20 -0.52 -0.49 0.00 0.42 0.00 0.00 57.03 56.24 2hna h ASP 133 Cb 1.22 0.01 0.05 0.00 1.72 0.00 0.00 39.33 42.34 2hna h ASP 133 CO 0.30 0.66 0.39 -2.16 -2.88 0.00 0.00 179.24 175.55 2hna s PRO 134 N -2.44 3.47 0.00 0.28 0.04 -1.26 -3.88 135.00 131.21 2hna s PRO 134 Ca -0.12 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2hna s PRO 134 Cb -0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2hna s PRO 134 CO 0.43 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 176.77 2hna n ALA 135 N -1.57 0.08 0.28 8.56 0.00 -1.26 -4.59 120.51 122.02 2hna n ALA 135 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.67 2hna n ALA 135 Cb 0.52 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.80 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 0.00 0.00 -0.53 0.00 4.11 -1.93 -1.87 114.58 114.37 2hna h GLU 136 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2hna h GLU 136 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2hna h GLU 136 CO 0.00 0.06 0.15 0.93 0.07 0.00 0.00 179.01 180.22 2hna h GLU 137 N 0.00 0.83 0.11 1.06 4.39 -1.99 0.33 114.58 119.32 2hna h GLU 137 Ca -0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2hna h GLU 137 Cb 0.17 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2hna h GLU 137 CO 0.01 0.78 -0.05 -1.49 -1.16 0.00 0.00 179.01 177.09 2hna h TRP 138 N 0.73 -0.14 0.47 4.33 6.55 -1.71 -1.39 115.95 124.79 2hna h TRP 138 Ca 0.17 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.99 2hna h TRP 138 Cb 0.31 0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 2hna h TRP 138 CO 0.02 0.05 -0.29 -0.07 -1.05 0.00 0.00 178.44 177.10 2hna h LEU 139 N -0.31 -0.73 -0.20 -4.49 3.38 -1.39 -0.75 115.31 110.83 2hna h LEU 139 Ca -0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2hna h LEU 139 Cb 0.25 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2hna h LEU 139 CO 0.02 -0.46 0.03 1.23 0.09 0.00 0.00 178.44 179.35 2hna h GLY 140 N -0.73 0.21 0.85 0.83 0.00 -0.96 -0.24 103.07 103.03 2hna h GLY 140 Ca -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2hna h GLY 140 CO 0.05 -0.01 0.04 0.23 0.00 0.00 0.00 176.54 176.86 2hna h SER 141 N 0.10 0.22 -0.70 0.19 0.87 -1.17 -0.22 113.55 112.84 2hna h SER 141 Ca 0.09 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2hna h SER 141 Cb 0.09 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2hna h SER 141 CO -0.13 0.37 0.46 -0.25 -0.53 0.00 0.00 176.83 176.74 2hna h TRP 142 N 0.06 0.89 -0.10 2.24 7.01 -0.93 -0.97 115.95 124.15 2hna h TRP 142 Ca 0.05 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.09 2hna h TRP 142 Cb 0.23 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2hna h TRP 142 CO 0.00 0.57 -0.05 0.28 -2.79 0.00 0.00 178.44 176.45 2hna h VAL 143 N 0.95 0.84 0.00 2.65 2.07 -0.86 -0.84 116.25 121.07 2hna h VAL 143 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 2hna h VAL 143 Cb -0.10 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2hna h VAL 143 CO -0.05 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.26 2hna h ASN 144 N -0.04 0.00 0.10 0.57 2.35 -0.33 -0.94 115.58 117.29 2hna h ASN 144 Ca 0.06 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2hna h ASN 144 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2hna h ASN 144 CO -0.13 0.06 -0.68 -0.07 -1.65 0.00 0.00 177.43 174.97 2hna h LEU 145 N 0.00 0.33 -0.54 1.61 4.07 -0.58 -3.35 115.31 116.86 2hna h LEU 145 Ca -0.00 -0.95 -0.16 0.00 0.08 0.00 0.00 57.88 56.85 2hna h LEU 145 Cb 0.13 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2hna h LEU 145 CO 0.01 1.32 -0.62 0.17 -1.08 0.00 0.00 178.44 178.24 2hna h LEU 146 N -0.54 0.46 0.00 1.67 8.10 -0.97 -3.51 115.31 120.51 2hna h LEU 146 Ca -0.13 -0.27 0.00 0.00 0.11 0.00 0.00 57.88 57.60 2hna h LEU 146 Cb 1.48 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.57 2hna h LEU 146 CO 0.10 0.96 0.00 0.29 -4.11 0.00 0.00 178.44 175.68