#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 -0.30 -0.09 -5.12 0.00 -1.26 -4.66 121.76 110.33 2hna s ALA 2 Ca 0.00 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.36 2hna s ALA 2 Cb 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 23.12 23.85 2hna s ALA 2 CO 0.00 -0.82 0.30 -3.47 0.00 0.00 0.00 175.76 171.77 2hna n ASP 3 N -0.36 0.34 -3.91 0.00 2.03 0.61 -4.92 116.55 110.34 2hna n ASP 3 Ca -0.03 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.02 2hna n ASP 3 Cb 0.62 1.57 -0.17 0.00 -0.72 0.00 0.00 41.12 42.42 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 -3.05 0.97 0.03 5.18 1.01 -0.97 -3.34 121.20 121.02 2hna s ILE 4 Ca -0.08 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 2hna s ILE 4 Cb 0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 2hna s ILE 4 CO 0.82 0.35 0.75 0.28 0.00 0.00 0.00 174.94 177.14 2hna s THR 5 N 1.54 4.79 -0.50 2.92 -1.32 -1.19 -1.19 115.64 120.69 2hna s THR 5 Ca 0.01 1.59 -0.04 0.00 -1.21 0.00 0.00 61.69 62.05 2hna s THR 5 Cb -0.13 -4.10 0.13 0.00 -1.51 0.00 0.00 72.50 66.89 2hna s THR 5 CO -0.06 0.35 0.32 -0.76 -2.21 0.00 0.00 174.62 172.26 2hna s LEU 6 N 0.07 5.35 -0.48 9.08 1.02 -0.09 -1.25 118.68 132.38 2hna s LEU 6 Ca 0.38 -2.31 -0.20 0.00 0.02 0.00 0.00 54.13 52.02 2hna s LEU 6 Cb -0.20 -1.87 0.04 0.00 0.02 0.00 0.00 46.19 44.18 2hna s LEU 6 CO 0.22 -0.51 0.64 -0.63 0.02 0.00 0.00 176.35 176.10 2hna s ILE 7 N 0.74 4.83 -0.75 -0.59 1.01 -0.28 -1.51 121.20 124.64 2hna s ILE 7 Ca 0.11 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 2hna s ILE 7 Cb -0.22 -4.27 0.12 0.00 0.01 0.00 0.00 42.46 38.10 2hna s ILE 7 CO -0.04 -0.73 0.92 -0.44 0.00 0.00 0.00 174.94 174.65 2hna s SER 8 N 2.40 6.41 0.00 3.58 0.01 -0.52 -0.79 113.70 124.80 2hna s SER 8 Ca 0.19 -1.71 0.07 0.00 1.31 0.00 0.00 55.95 55.81 2hna s SER 8 Cb -0.17 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.77 2hna s SER 8 CO 0.15 -1.10 0.73 0.61 0.41 0.00 0.00 173.24 174.04 2hna n GLY 9 N 5.21 -0.70 3.56 3.44 0.00 -1.04 -2.15 105.19 113.51 2hna n GLY 9 Ca 0.06 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2hna n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hna n SER 10 N 0.38 2.65 -4.13 1.61 3.41 -0.20 -1.35 113.62 116.00 2hna n SER 10 Ca 0.04 -0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 2hna n SER 10 Cb 0.18 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 62.60 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hna n THR 11 N 7.77 -1.77 -3.70 6.66 -1.04 0.54 -1.61 114.28 121.13 2hna n THR 11 Ca 0.36 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.92 2hna n THR 11 Cb 0.44 -1.99 0.04 0.00 -1.82 0.00 0.00 70.33 66.99 2hna n THR 11 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2hna n LEU 12 N -4.41 -3.15 0.00 -4.42 7.94 -0.46 -4.94 117.00 107.57 2hna n LEU 12 Ca -0.10 -0.77 0.01 0.00 -1.11 0.00 0.00 56.01 54.04 2hna n LEU 12 Cb 0.58 -2.72 0.00 0.00 0.53 0.00 0.00 43.42 41.81 2hna n LEU 12 CO 0.82 0.43 0.34 0.61 -1.11 0.00 0.00 177.39 178.47 2hna n GLY 13 N -1.56 0.62 0.00 -3.96 0.00 -0.63 -4.90 105.19 94.76 2hna n GLY 13 Ca -0.23 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.28 -0.99 2.33 -0.02 0.00 -1.26 -1.03 105.19 103.94 2hna n GLY 14 Ca 0.01 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 5.44 -0.07 4.61 0.00 -1.26 -4.71 120.51 124.52 2hna n ALA 15 Ca 0.00 -2.04 0.19 0.00 0.00 0.00 0.00 53.44 51.60 2hna n ALA 15 Cb 0.00 -2.77 0.63 0.00 0.00 0.00 0.00 19.45 17.31 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 4.91 0.14 -0.95 0.00 5.08 -1.94 -1.02 114.58 120.80 2hna h GLU 16 Ca 0.42 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.87 2hna h GLU 16 Cb 0.61 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2hna h GLU 16 CO 1.01 0.09 0.59 -0.92 -1.00 0.00 0.00 179.01 178.78 2hna h TYR 17 N 0.14 1.08 0.00 4.33 3.20 -2.01 0.20 116.97 123.91 2hna h TYR 17 Ca 0.31 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.91 2hna h TYR 17 Cb 1.02 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 2hna h TYR 17 CO -0.00 0.48 -1.80 0.28 -1.64 0.00 0.00 178.16 175.48 2hna n VAL 18 N -4.62 1.57 -0.22 1.81 0.31 -0.49 -3.75 118.33 112.95 2hna n VAL 18 Ca 0.16 -0.80 0.04 0.00 -0.01 0.00 0.00 64.34 63.73 2hna n VAL 18 Cb 0.27 -0.95 0.30 0.00 -0.91 0.00 0.00 33.84 32.55 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 1.01 1.59 -0.72 3.52 0.00 -0.91 -0.73 119.26 123.00 2hna h ALA 19 Ca -0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2hna h ALA 19 Cb 2.04 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2hna h ALA 19 CO 0.07 0.31 0.28 1.49 0.00 0.00 0.00 179.25 181.40 2hna h GLU 20 N 0.89 1.08 -0.41 0.00 4.81 -1.07 0.13 114.58 120.01 2hna h GLU 20 Ca 0.32 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2hna h GLU 20 Cb 0.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2hna h GLU 20 CO -0.10 0.88 -0.07 1.25 -0.73 0.00 0.00 179.01 180.24 2hna h HIS 21 N 1.05 0.87 0.22 0.92 2.76 -1.34 -0.62 115.15 119.00 2hna h HIS 21 Ca 0.24 -0.18 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2hna h HIS 21 Cb 0.21 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2hna h HIS 21 CO 0.02 0.89 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.33 2hna h LEU 22 N 0.60 -0.33 -0.43 0.26 3.38 -0.91 -2.27 115.31 115.61 2hna h LEU 22 Ca 0.11 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2hna h LEU 22 Cb 0.59 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 2hna h LEU 22 CO 0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 178.44 178.28 2hna h ALA 23 N 0.44 0.33 0.31 1.53 0.00 -0.91 -1.33 119.26 119.63 2hna h ALA 23 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2hna h ALA 23 Cb 0.28 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2hna h ALA 23 CO 0.02 -0.43 -0.23 1.49 0.00 0.00 0.00 179.25 180.10 2hna h GLU 24 N 0.04 -0.52 -0.95 0.00 4.81 -0.93 -1.74 114.58 115.28 2hna h GLU 24 Ca 0.21 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.56 2hna h GLU 24 Cb 0.32 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 2hna h GLU 24 CO -0.41 -0.35 0.61 0.87 -0.73 0.00 0.00 179.01 179.00 2hna h LYS 25 N -0.54 1.00 0.00 1.92 1.79 -1.23 -0.65 116.57 118.86 2hna h LYS 25 Ca -0.02 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 2hna h LYS 25 Cb 0.47 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2hna h LYS 25 CO 0.00 0.66 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.79 2hna h LEU 26 N 1.03 0.00 -0.35 2.94 3.38 -0.72 -1.13 115.31 120.47 2hna h LEU 26 Ca 0.43 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 2hna h LEU 26 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2hna h LEU 26 CO -0.18 0.18 -0.10 -0.33 0.09 0.00 0.00 178.44 178.09 2hna h GLU 27 N 0.00 0.68 0.00 1.13 5.08 -0.24 -2.85 114.58 118.38 2hna h GLU 27 Ca -0.00 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2hna h GLU 27 Cb 0.50 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2hna h GLU 27 CO 0.02 0.86 -0.09 0.93 -1.00 0.00 0.00 179.01 179.73 2hna h GLU 28 N 0.47 0.00 0.00 2.33 5.08 -1.08 -1.28 114.58 120.10 2hna h GLU 28 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hna h GLU 28 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2hna h GLU 28 CO 0.04 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 2hna n ALA 29 N -2.35 1.67 0.00 3.43 0.00 -0.49 -4.85 120.51 117.91 2hna n ALA 29 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2hna n ALA 29 Cb 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2hna n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 30 N 0.01 1.61 0.00 0.00 0.00 -0.50 -5.09 105.19 101.22 2hna n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hna n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hna n PHE 31 N 0.00 0.00 -4.15 1.61 3.72 -1.10 -5.06 117.46 112.47 2hna n PHE 31 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2hna n PHE 31 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 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 -0.97 0.96 0.04 4.37 -4.23 -1.26 -4.35 115.64 110.20 2hna s THR 32 Ca 0.00 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2hna s THR 32 Cb 0.00 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 2hna s THR 32 CO 0.00 -0.36 0.03 0.42 -0.54 0.00 0.00 174.62 174.17 2hna s THR 33 N -1.67 0.15 -0.39 3.99 -4.23 -1.26 -0.29 115.64 111.94 2hna s THR 33 Ca -0.01 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 2hna s THR 33 Cb -0.08 -0.89 0.11 0.00 1.34 0.00 0.00 72.50 72.99 2hna s THR 33 CO 0.01 -0.68 0.15 -0.70 -0.54 0.00 0.00 174.62 172.86 2hna s GLU 34 N -2.65 1.31 -0.07 3.99 2.56 -0.33 -4.83 118.70 118.68 2hna s GLU 34 Ca -0.05 -1.82 -0.30 0.00 0.00 0.00 0.00 54.97 52.80 2hna s GLU 34 Cb -0.01 -2.67 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 2hna s GLU 34 CO -0.05 -1.04 1.48 0.99 -0.56 0.00 0.00 175.26 176.08 2hna s THR 35 N 0.75 3.80 0.15 -1.70 2.01 -1.26 -0.92 115.64 118.47 2hna s THR 35 Ca 0.13 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 63.10 2hna s THR 35 Cb -0.21 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2hna s THR 35 CO -0.09 -0.07 0.22 -0.76 -0.69 0.00 0.00 174.62 173.23 2hna s LEU 36 N 3.43 1.21 -0.38 4.42 1.43 -0.57 -4.97 118.68 123.25 2hna s LEU 36 Ca 0.66 -0.95 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2hna s LEU 36 Cb -0.30 0.94 0.56 0.00 0.03 0.00 0.00 46.19 47.43 2hna s LEU 36 CO 0.25 -0.84 1.67 0.00 0.23 0.00 0.00 176.35 177.65 2hna n HIS 37 N -0.17 2.06 -3.79 0.29 1.44 -1.26 -1.43 115.22 112.35 2hna n HIS 37 Ca -0.07 -1.83 -0.25 0.00 -2.01 0.00 0.00 57.72 53.55 2hna n HIS 37 Cb 0.63 -0.73 0.03 0.00 0.12 0.00 0.00 29.99 30.04 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 -1.11 -0.39 0.30 -1.39 0.00 -1.24 -4.29 105.19 97.08 2hna n GLY 38 Ca 0.46 0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.00 0.00 -0.13 1.61 0.13 -1.93 -1.93 132.00 127.75 2hna h PRO 39 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.61 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 2hna n LEU 40 N -3.25 2.46 0.00 1.56 4.77 -1.26 -4.98 117.00 116.30 2hna n LEU 40 Ca -0.02 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 2hna n LEU 40 Cb 0.19 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2hna n LEU 40 CO 0.25 0.61 0.00 -0.11 -1.33 0.00 0.00 177.39 176.81 2hna n LEU 41 N -0.28 0.00 -2.77 2.23 7.94 -0.73 -4.53 117.00 118.87 2hna n LEU 41 Ca 0.07 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.95 2hna n LEU 41 Cb 0.39 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.36 2hna n LEU 41 CO 0.04 0.00 0.34 -1.83 -1.11 0.00 0.00 177.39 174.82 2hna s GLU 42 N 0.00 0.51 0.15 1.96 -1.05 -1.26 -5.00 118.70 114.01 2hna s GLU 42 Ca 0.00 -0.44 -0.14 0.00 -0.15 0.00 0.00 54.97 54.24 2hna s GLU 42 Cb 0.00 -0.01 0.03 0.00 -0.44 0.00 0.00 34.13 33.71 2hna s GLU 42 CO 0.00 -0.66 1.69 0.22 0.95 0.00 0.00 175.26 177.47 2hna h ASP 43 N 4.91 0.69 -3.10 0.83 3.58 -1.95 -3.41 116.42 117.97 2hna h ASP 43 Ca 0.01 -0.18 -0.58 0.00 0.42 0.00 0.00 57.03 56.71 2hna h ASP 43 Cb 1.16 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2hna h ASP 43 CO -0.05 0.68 -0.33 -0.76 -2.88 0.00 0.00 179.24 175.90 2hna s LEU 44 N -9.75 4.26 0.00 2.28 1.43 -1.26 -5.10 118.68 110.54 2hna s LEU 44 Ca -0.13 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.34 2hna s LEU 44 Cb 0.11 -3.26 0.25 0.00 0.03 0.00 0.00 46.19 43.32 2hna s LEU 44 CO 0.77 0.04 0.80 -0.81 0.23 0.00 0.00 176.35 177.39 2hna n PRO 45 N -0.04 -3.08 -0.16 1.29 -0.04 -1.26 -4.86 135.00 126.86 2hna n PRO 45 Ca -0.03 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2hna n PRO 45 Cb 0.52 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -4.64 2.54 -3.64 0.55 0.00 -1.26 -4.57 120.51 109.48 2hna n ALA 46 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 2hna n ALA 46 Cb 0.46 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 1.57 -0.92 0.00 0.00 0.01 -1.26 -4.14 113.70 108.96 2hna s SER 47 Ca 0.00 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2hna s SER 47 Cb 0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.61 2hna s SER 47 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2hna n GLY 48 N 4.25 0.31 3.16 3.44 0.00 -1.17 -4.93 105.19 110.24 2hna n GLY 48 Ca -0.20 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -1.86 1.31 0.05 -0.61 -1.09 -1.21 -3.41 121.20 114.38 2hna s ILE 49 Ca 0.00 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 2hna s ILE 49 Cb 0.00 -1.11 -0.02 0.00 -1.58 0.00 0.00 42.46 39.75 2hna s ILE 49 CO 0.00 0.31 -0.16 0.26 -1.23 0.00 0.00 174.94 174.13 2hna s TRP 50 N -0.47 1.36 -0.01 3.97 0.52 -0.60 -3.18 118.94 120.53 2hna s TRP 50 Ca 0.06 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.83 2hna s TRP 50 Cb -0.07 -0.79 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2hna s TRP 50 CO -0.00 0.06 -0.10 -0.51 0.02 0.00 0.00 176.95 176.43 2hna s LEU 51 N -1.34 2.02 -0.12 2.99 1.43 -0.38 -2.17 118.68 121.12 2hna s LEU 51 Ca 0.02 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2hna s LEU 51 Cb -0.09 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.66 2hna s LEU 51 CO 0.02 0.12 -0.11 -0.69 0.23 0.00 0.00 176.35 175.91 2hna s VAL 52 N -0.24 1.28 -0.53 -1.59 1.01 -0.57 -1.12 120.40 118.63 2hna s VAL 52 Ca 0.04 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2hna s VAL 52 Cb -0.04 -1.23 0.34 0.00 0.00 0.00 0.00 36.38 35.46 2hna s VAL 52 CO -0.00 0.41 0.89 -0.38 0.00 0.00 0.00 175.10 176.02 2hna n ILE 53 N 4.65 2.28 -2.11 2.22 -0.00 0.03 -1.06 119.36 125.37 2hna n ILE 53 Ca -0.16 -5.34 -0.24 0.00 -0.00 0.00 0.00 62.75 57.01 2hna n ILE 53 Cb 0.50 -1.12 0.02 0.00 -0.00 0.00 0.00 39.64 39.04 2hna n ILE 53 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2hna n SER 54 N -0.11 4.77 -1.41 4.38 7.64 -1.25 -4.03 113.62 123.62 2hna n SER 54 Ca 0.30 -3.68 -0.18 0.00 1.01 0.00 0.00 58.87 56.31 2hna n SER 54 Cb 0.46 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 2hna n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hna n SER 55 N -0.67 0.21 0.22 6.43 7.64 -1.26 -4.46 113.62 121.73 2hna n SER 55 Ca 0.42 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.60 2hna n SER 55 Cb 0.92 -0.30 0.17 0.00 -1.01 0.00 0.00 64.21 64.00 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 2.36 0.01 -2.12 0.44 1.35 -1.89 -3.43 112.91 109.63 2hna h THR 56 Ca -0.03 -1.01 -0.24 0.00 -0.55 0.00 0.00 66.41 64.59 2hna h THR 56 Cb 0.46 2.00 -0.07 0.00 -1.73 0.00 0.00 68.15 68.80 2hna h THR 56 CO 0.38 0.00 -0.24 1.41 -0.25 0.00 0.00 175.52 176.82 2hna n HIS 57 N -3.10 -0.72 0.00 4.73 8.25 -1.26 -0.15 115.22 122.97 2hna n HIS 57 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2hna n HIS 57 Cb 0.53 -2.45 0.00 0.00 1.12 0.00 0.00 29.99 29.19 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 -0.37 1.61 0.14 -1.41 0.00 -1.26 -4.39 105.19 99.50 2hna n GLY 58 Ca -0.12 -0.02 0.13 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 0.00 3.29 0.00 4.61 0.00 -1.21 -1.28 120.51 125.92 2hna n ALA 59 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2hna n ALA 59 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2hna n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hna n GLY 60 N 1.41 -2.02 0.20 0.00 0.00 0.78 -4.63 105.19 100.93 2hna n GLY 60 Ca 0.09 -1.32 0.06 0.00 0.00 0.00 0.00 46.02 44.85 2hna n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hna h ASP 61 N 0.00 0.00 -4.71 1.61 3.58 -1.84 -3.44 116.42 111.62 2hna h ASP 61 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2hna h ASP 61 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2hna h ASP 61 CO 0.00 0.32 -0.70 0.27 -2.88 0.00 0.00 179.24 176.25 2hna s ILE 62 N -3.97 0.61 0.33 2.25 -4.36 -1.26 -5.06 121.20 109.74 2hna s ILE 62 Ca -0.02 -1.88 0.28 0.00 -0.26 0.00 0.00 60.65 58.78 2hna s ILE 62 Cb 0.13 -1.61 0.28 0.00 1.25 0.00 0.00 42.46 42.51 2hna s ILE 62 CO 0.68 -0.88 1.85 -0.65 0.24 0.00 0.00 174.94 176.19 2hna h PRO 63 N 3.05 0.00 -2.09 0.37 0.11 -1.85 -2.88 132.00 128.72 2hna h PRO 63 Ca -0.35 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.24 2hna h PRO 63 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 2hna h PRO 63 CO 0.64 0.00 -1.01 -3.47 -0.21 0.00 0.00 178.00 173.95 2hna n ASP 64 N -2.62 1.94 0.19 -2.05 2.03 -1.26 -4.98 116.55 109.80 2hna n ASP 64 Ca -0.02 -3.20 0.18 0.00 0.52 0.00 0.00 54.79 52.28 2hna n ASP 64 Cb 0.21 -0.61 0.75 0.00 -0.72 0.00 0.00 41.12 40.75 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 3.13 0.00 -2.30 1.67 -1.24 -1.89 -2.49 115.58 112.46 2hna h ASN 65 Ca 0.11 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.53 2hna h ASN 65 Cb 0.82 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.46 2hna h ASN 65 CO 0.60 0.00 -0.76 0.18 -1.29 0.00 0.00 177.43 176.16 2hna n LEU 66 N -3.35 2.29 0.09 0.34 4.32 -1.26 -0.34 117.00 119.09 2hna n LEU 66 Ca 0.04 -5.11 -0.13 0.00 -0.02 0.00 0.00 56.01 50.79 2hna n LEU 66 Cb 0.56 -0.22 -0.08 0.00 -1.62 0.00 0.00 43.42 42.06 2hna n LEU 66 CO 0.21 2.00 0.70 0.28 -1.22 0.00 0.00 177.39 179.36 2hna h SER 67 N 4.45 -0.17 0.03 -1.43 0.02 -1.72 0.04 113.55 114.77 2hna h SER 67 Ca 0.16 -0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 2hna h SER 67 Cb 0.76 0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.36 2hna h SER 67 CO 0.67 0.07 -1.03 1.55 -1.14 0.00 0.00 176.83 176.96 2hna h PRO 68 N -0.43 0.68 0.11 3.45 0.13 -1.91 -3.32 132.00 130.71 2hna h PRO 68 Ca -0.02 -0.73 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 2hna h PRO 68 Cb 0.34 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2hna h PRO 68 CO 0.03 1.31 -0.05 0.74 -0.23 0.00 0.00 178.00 179.80 2hna h PHE 69 N 0.39 -0.13 -0.02 1.56 -1.00 -1.85 -1.41 116.94 114.48 2hna h PHE 69 Ca -0.12 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.65 2hna h PHE 69 Cb 1.68 0.04 -0.00 0.00 3.61 0.00 0.00 35.95 41.28 2hna h PHE 69 CO 0.10 0.15 0.01 -0.92 -1.61 0.00 0.00 178.31 176.04 2hna h TYR 70 N -0.41 0.02 -0.45 -0.55 3.20 -1.15 0.87 116.97 118.49 2hna h TYR 70 Ca -0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2hna h TYR 70 Cb 0.34 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2hna h TYR 70 CO 0.01 0.02 0.22 0.93 -1.64 0.00 0.00 178.16 177.70 2hna h GLU 71 N 0.02 0.65 -0.78 1.82 5.08 -1.65 -1.92 114.58 117.79 2hna h GLU 71 Ca 0.01 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2hna h GLU 71 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2hna h GLU 71 CO -0.00 0.56 0.37 0.00 -1.00 0.00 0.00 179.01 178.94 2hna h ALA 72 N 1.06 1.18 0.48 3.43 0.00 -1.02 -2.18 119.26 122.21 2hna h ALA 72 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2hna h ALA 72 Cb 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2hna h ALA 72 CO -0.02 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.49 2hna h LEU 73 N 1.11 -0.72 -2.16 0.00 3.38 -0.24 -2.31 115.31 114.37 2hna h LEU 73 Ca 0.27 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2hna h LEU 73 Cb 0.12 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2hna h LEU 73 CO -0.03 -0.46 -0.00 1.56 0.09 0.00 0.00 178.44 179.60 2hna h GLN 74 N -0.73 0.00 -0.07 1.13 4.20 -1.28 0.17 115.11 118.53 2hna h GLN 74 Ca -0.06 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2hna h GLN 74 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2hna h GLN 74 CO 0.06 0.00 -0.70 1.49 -0.67 0.00 0.00 178.83 179.01 2hna h GLU 75 N 0.00 0.33 0.00 1.46 4.81 -0.83 -3.39 114.58 116.96 2hna h GLU 75 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2hna h GLU 75 Cb 0.28 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2hna h GLU 75 CO 0.00 0.91 -0.86 0.00 -0.73 0.00 0.00 179.01 178.33 2hna n GLN 76 N -3.83 1.21 -3.43 1.92 10.64 -0.98 -5.07 117.38 117.83 2hna n GLN 76 Ca -0.04 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.98 2hna n GLN 76 Cb 0.69 -0.93 0.00 0.00 -0.86 0.00 0.00 30.24 29.14 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 -1.35 -0.69 -0.68 2.61 5.02 0.58 -4.85 118.16 118.79 2hna n LYS 77 Ca 0.00 0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 2hna n LYS 77 Cb 0.06 -0.86 0.21 0.00 -0.02 0.00 0.00 35.03 34.42 2hna n LYS 77 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2hna s PRO 78 N -4.51 0.05 -1.54 1.97 0.04 -1.26 -4.85 135.00 124.89 2hna s PRO 78 Ca 0.09 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2hna s PRO 78 Cb -0.05 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2hna s PRO 78 CO 0.43 -3.15 2.64 -3.47 0.04 0.00 0.00 177.00 173.49 2hna n ASP 79 N -4.55 6.86 0.00 6.66 2.03 -1.26 -4.41 116.55 121.88 2hna n ASP 79 Ca 0.07 -2.71 0.04 0.00 0.52 0.00 0.00 54.79 52.70 2hna n ASP 79 Cb 0.53 -1.58 0.22 0.00 -0.72 0.00 0.00 41.12 39.57 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 4.42 0.00 0.00 -2.67 7.99 -1.25 -3.78 117.00 121.71 2hna n LEU 80 Ca 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.69 2hna n LEU 80 Cb 0.29 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.67 2hna n LEU 80 CO 0.87 0.00 0.51 -1.20 -1.51 0.00 0.00 177.39 176.05 2hna n SER 81 N -0.77 0.00 -0.52 -1.43 7.64 -1.25 -0.93 113.62 116.35 2hna n SER 81 Ca 0.05 0.38 0.05 0.00 1.01 0.00 0.00 58.87 60.36 2hna n SER 81 Cb 0.03 -0.40 0.13 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 -1.40 2.17 -2.59 -0.43 0.00 -1.25 -4.90 120.51 112.10 2hna n ALA 82 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 53.44 52.13 2hna n ALA 82 Cb 0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.07 0.99 0.13 0.00 0.11 -0.11 -3.06 120.40 117.38 2hna s VAL 83 Ca 0.20 -1.49 0.05 0.00 -2.93 0.00 0.00 61.98 57.81 2hna s VAL 83 Cb 0.11 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2hna s VAL 83 CO 0.12 -0.42 0.06 0.00 -3.33 0.00 0.00 175.10 171.53 2hna s ARG 84 N -2.33 2.72 0.23 1.54 1.70 -1.22 -4.22 118.95 117.36 2hna s ARG 84 Ca 0.02 -0.86 0.12 0.00 -0.47 0.00 0.00 55.73 54.53 2hna s ARG 84 Cb -0.06 -2.59 -0.05 0.00 -0.57 0.00 0.00 34.95 31.69 2hna s ARG 84 CO 0.01 0.51 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.46 2hna s PHE 85 N -1.55 2.29 -0.04 5.89 0.40 -0.64 -1.56 117.98 122.77 2hna s PHE 85 Ca 0.29 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2hna s PHE 85 Cb -0.11 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.37 2hna s PHE 85 CO 0.21 0.58 0.00 0.20 0.70 0.00 0.00 175.22 176.91 2hna s GLY 86 N -2.99 0.32 -0.03 4.36 0.00 -0.92 -1.16 107.32 106.89 2hna s GLY 86 Ca 0.24 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 2hna s GLY 86 CO 0.12 0.78 0.37 0.00 0.00 0.00 0.00 173.10 174.37 2hna s ALA 87 N 1.34 3.70 -0.04 3.20 0.00 -1.26 -1.52 121.76 127.19 2hna s ALA 87 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2hna s ALA 87 Cb -0.13 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.67 2hna s ALA 87 CO -0.02 0.45 0.04 0.42 0.00 0.00 0.00 175.76 176.65 2hna s ILE 88 N -0.90 -0.01 0.00 0.00 1.01 -0.22 -0.85 121.20 120.23 2hna s ILE 88 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2hna s ILE 88 Cb -0.16 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2hna s ILE 88 CO 0.12 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2hna n GLY 89 N 4.78 1.76 3.67 6.18 0.00 0.11 -3.74 105.19 117.95 2hna n GLY 89 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N -1.92 0.76 -0.00 -0.61 2.08 -1.26 -4.05 119.36 114.36 2hna n ILE 90 Ca 0.00 -0.19 0.08 0.00 0.56 0.00 0.00 62.75 63.19 2hna n ILE 90 Cb 0.00 -1.51 -0.14 0.00 -0.75 0.00 0.00 39.64 37.24 2hna n ILE 90 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hna n GLY 91 N 2.41 -1.08 0.29 7.39 0.00 -1.26 -4.62 105.19 108.32 2hna n GLY 91 Ca 0.12 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 0.99 1.61 0.02 -1.90 0.94 113.55 115.22 2hna h SER 92 Ca -0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2hna h SER 92 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2hna h SER 92 CO 0.01 0.00 -0.12 -0.09 -1.14 0.00 0.00 176.83 175.49 2hna h ARG 93 N 0.00 0.00 0.00 3.45 1.12 -1.87 -2.95 114.38 114.13 2hna h ARG 93 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2hna h ARG 93 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2hna h ARG 93 CO -0.00 0.12 0.00 -0.85 -3.11 0.00 0.00 179.97 176.13 2hna n GLU 94 N -3.26 0.00 -0.34 0.20 0.28 -0.43 -4.66 120.64 112.43 2hna n GLU 94 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.11 2hna n GLU 94 Cb 0.38 0.00 0.30 0.00 1.43 0.00 0.00 31.44 33.54 2hna n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2hna h TYR 95 N 0.00 1.05 0.00 -1.84 3.20 -1.16 -2.93 116.97 115.29 2hna h TYR 95 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hna h TYR 95 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2hna h TYR 95 CO 0.00 0.35 -0.19 -3.47 -1.64 0.00 0.00 178.16 173.21 2hna n ASP 96 N -4.65 0.68 -1.44 -2.11 2.03 -1.22 -5.00 116.55 104.84 2hna n ASP 96 Ca 0.20 -1.88 0.17 0.00 0.52 0.00 0.00 54.79 53.80 2hna n ASP 96 Cb 0.46 -0.15 -0.09 0.00 -0.72 0.00 0.00 41.12 40.61 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 -0.32 -0.91 0.32 5.18 -2.24 -1.11 -1.83 114.28 113.37 2hna n THR 97 Ca 0.03 0.94 0.21 0.00 -2.27 0.00 0.00 64.05 62.95 2hna n THR 97 Cb 0.57 -1.42 1.11 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.42 0.00 -0.16 4.78 0.04 -1.78 -0.94 116.94 117.46 2hna h PHE 98 Ca -0.20 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 2hna h PHE 98 Cb 1.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 2hna h PHE 98 CO 0.05 0.00 -0.09 0.00 -0.60 0.00 0.00 178.31 177.67 2hna n GLY 100 N -1.04 0.04 3.58 0.00 0.00 -1.00 -5.13 105.19 101.64 2hna n GLY 100 Ca 0.22 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.21 0.30 0.00 4.61 0.00 -0.39 -4.88 121.76 120.18 2hna s ALA 101 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2hna s ALA 101 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2hna s ALA 101 CO 0.00 -3.40 1.06 0.44 0.00 0.00 0.00 175.76 173.87 2hna n ILE 102 N -4.60 1.06 0.22 0.00 -5.35 -0.40 -4.57 119.36 105.73 2hna n ILE 102 Ca 0.06 -0.21 0.15 0.00 -0.27 0.00 0.00 62.75 62.48 2hna n ILE 102 Cb 0.57 -1.14 0.78 0.00 -1.74 0.00 0.00 39.64 38.11 2hna n ILE 102 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2hna h ASP 103 N 1.55 0.00 -0.51 7.28 3.58 -1.85 -2.82 116.42 123.64 2hna h ASP 103 Ca 0.00 0.00 0.15 0.00 0.42 0.00 0.00 57.03 57.60 2hna h ASP 103 Cb 0.65 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2hna h ASP 103 CO 0.00 0.00 0.46 0.11 -2.88 0.00 0.00 179.24 176.93 2hna h LYS 104 N 0.00 0.00 0.72 0.28 1.57 -1.89 0.15 116.57 117.39 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 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2hna h LYS 104 CO 0.00 0.00 -0.35 1.25 -0.57 0.00 0.00 179.45 179.78 2hna h LEU 105 N 0.00 -0.82 -1.21 2.94 7.12 -1.91 -0.77 115.31 120.66 2hna h LEU 105 Ca 0.24 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.24 2hna h LEU 105 Cb 1.16 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.47 2hna h LEU 105 CO -0.00 -0.56 0.20 -0.33 -0.13 0.00 0.00 178.44 177.62 2hna h GLU 106 N -1.01 0.75 0.03 1.25 4.39 -1.51 -2.41 114.58 116.07 2hna h GLU 106 Ca -0.10 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 2hna h GLU 106 Cb 0.75 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2hna h GLU 106 CO 0.16 0.62 -0.02 0.00 -1.16 0.00 0.00 179.01 178.61 2hna h ALA 107 N 1.48 -0.05 -0.78 3.43 0.00 -0.82 -0.48 119.26 122.05 2hna h ALA 107 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2hna h ALA 107 Cb 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2hna h ALA 107 CO -0.02 -0.53 0.51 0.93 0.00 0.00 0.00 179.25 180.14 2hna h GLU 108 N -0.06 1.01 -0.18 0.00 4.39 -0.97 -0.78 114.58 117.98 2hna h GLU 108 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2hna h GLU 108 Cb 0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2hna h GLU 108 CO -0.00 0.67 0.12 -0.07 -1.16 0.00 0.00 179.01 178.57 2hna h LEU 109 N 1.04 0.21 -0.77 1.33 3.38 -0.92 0.14 115.31 119.72 2hna h LEU 109 Ca 0.29 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 2hna h LEU 109 Cb -0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2hna h LEU 109 CO -0.07 0.16 -0.27 0.11 0.09 0.00 0.00 178.44 178.46 2hna h LYS 110 N 0.24 0.63 -0.11 1.13 1.57 -0.85 -2.18 116.57 117.00 2hna h LYS 110 Ca 0.07 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 2hna h LYS 110 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2hna h LYS 110 CO -0.01 0.84 -0.29 -0.97 -0.57 0.00 0.00 179.45 178.44 2hna h ASN 111 N 0.55 0.20 0.17 0.86 -1.24 -0.87 -3.06 115.58 112.18 2hna h ASN 111 Ca 0.07 -0.06 -0.12 0.00 0.71 0.00 0.00 56.30 56.90 2hna h ASN 111 Cb 0.75 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 2hna h ASN 111 CO 0.06 0.49 -0.44 0.28 -1.29 0.00 0.00 177.43 176.54 2hna h SER 112 N 0.18 0.35 0.00 1.15 0.02 -0.09 -3.47 113.55 111.70 2hna h SER 112 Ca 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2hna h SER 112 Cb 0.61 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2hna h SER 112 CO 0.04 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2hna n GLY 113 N -0.07 1.41 3.66 -3.77 0.00 -1.10 -3.80 105.19 101.52 2hna n GLY 113 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 0.92 0.03 4.61 0.00 -1.13 -3.92 121.76 122.28 2hna s ALA 114 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2hna s ALA 114 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 2hna s ALA 114 CO 0.00 -3.14 -0.12 -1.59 0.00 0.00 0.00 175.76 170.92 2hna s LYS 115 N -5.26 0.78 -0.02 0.00 -2.85 -1.26 -4.36 119.74 106.76 2hna s LYS 115 Ca 0.68 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 2hna s LYS 115 Cb -0.13 -0.73 -0.04 0.00 -2.06 0.00 0.00 37.83 34.87 2hna s LYS 115 CO 0.56 0.18 1.24 -1.14 0.10 0.00 0.00 175.35 176.29 2hna s GLN 116 N -1.10 4.35 0.41 1.78 0.74 -1.26 -1.62 119.66 122.96 2hna s GLN 116 Ca -0.01 1.75 -0.06 0.00 0.05 0.00 0.00 55.36 57.10 2hna s GLN 116 Cb -0.08 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2hna s GLN 116 CO 0.01 -0.44 0.71 0.99 -0.55 0.00 0.00 175.29 176.01 2hna s THR 117 N 2.05 4.93 0.00 -0.34 2.01 -0.31 -4.95 115.64 119.02 2hna s THR 117 Ca 0.58 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.76 2hna s THR 117 Cb -0.27 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2hna s THR 117 CO 0.24 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 2hna n GLY 118 N -1.76 2.27 3.19 4.40 0.00 -1.26 -4.75 105.19 107.28 2hna n GLY 118 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.85 0.06 1.61 -1.05 -1.26 -5.12 118.70 113.78 2hna s GLU 119 Ca 0.00 -1.13 -0.33 0.00 -0.15 0.00 0.00 54.97 53.36 2hna s GLU 119 Cb 0.00 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 33.88 2hna s GLU 119 CO 0.00 -0.25 1.82 2.41 0.95 0.00 0.00 175.26 180.18 2hna n THR 120 N -0.05 0.41 -1.77 1.83 -1.04 -1.26 -4.85 114.28 107.55 2hna n THR 120 Ca -0.12 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 2hna n THR 120 Cb 0.62 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 67.29 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 3.00 2.33 0.06 -4.42 0.20 -0.03 -4.92 118.68 114.91 2hna s LEU 121 Ca 0.85 0.77 0.01 0.00 0.69 0.00 0.00 54.13 56.45 2hna s LEU 121 Cb -0.58 -3.14 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 2hna s LEU 121 CO 0.42 -2.26 -0.05 -0.54 -0.29 0.00 0.00 176.35 173.64 2hna s LYS 122 N -5.52 0.62 -0.01 1.98 3.01 -1.26 -0.72 119.74 117.85 2hna s LYS 122 Ca 0.64 -1.09 0.01 0.00 -1.01 0.00 0.00 55.97 54.53 2hna s LYS 122 Cb -0.11 -0.03 -0.00 0.00 -1.01 0.00 0.00 37.83 36.68 2hna s LYS 122 CO 0.51 -0.04 -0.04 0.96 0.51 0.00 0.00 175.35 177.24 2hna s ILE 123 N -3.02 0.34 0.07 2.17 -0.00 -1.26 -4.61 121.20 114.88 2hna s ILE 123 Ca 0.02 -0.17 -0.27 0.00 -0.00 0.00 0.00 60.65 60.24 2hna s ILE 123 Cb 0.01 -0.30 0.09 0.00 -0.00 0.00 0.00 42.46 42.26 2hna s ILE 123 CO -0.05 0.11 1.16 0.21 -0.00 0.00 0.00 174.94 176.36 2hna s ASN 124 N 0.01 -0.06 0.06 4.36 3.84 -1.26 -4.86 114.94 117.03 2hna s ASN 124 Ca 0.00 -0.32 -0.04 0.00 0.21 0.00 0.00 52.86 52.71 2hna s ASN 124 Cb -0.03 0.31 -0.02 0.00 -0.55 0.00 0.00 41.25 40.96 2hna s ASN 124 CO -0.00 -0.59 0.06 0.27 -2.79 0.00 0.00 177.10 174.05 2hna s ILE 125 N -2.52 0.18 0.00 -5.21 -4.36 -1.26 -4.92 121.20 103.11 2hna s ILE 125 Ca 0.18 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.07 2hna s ILE 125 Cb 0.01 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 42.34 2hna s ILE 125 CO 0.00 -0.83 0.00 -0.11 0.24 0.00 0.00 174.94 174.24 2hna n LEU 126 N 0.13 0.00 -3.92 0.37 7.94 -1.26 -4.79 117.00 115.48 2hna n LEU 126 Ca -0.15 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.67 2hna n LEU 126 Cb 0.61 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.53 2hna n LEU 126 CO 0.25 0.00 0.34 -0.62 -1.11 0.00 0.00 177.39 176.26 2hna s ASP 127 N 0.00 -0.11 0.92 1.96 2.15 -1.26 -5.17 116.67 115.17 2hna s ASP 127 Ca 0.00 -0.84 -0.11 0.00 0.43 0.00 0.00 52.55 52.04 2hna s ASP 127 Cb 0.00 0.68 0.13 0.00 -0.30 0.00 0.00 42.92 43.43 2hna s ASP 127 CO 0.00 -1.30 1.02 1.57 -0.17 0.00 0.00 175.17 176.30 2hna n HIS 128 N -0.44 0.48 0.00 -5.34 -0.00 -1.26 -4.99 115.22 103.67 2hna n HIS 128 Ca -0.03 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2hna n HIS 128 Cb 0.60 -1.97 0.00 0.00 -0.00 0.00 0.00 29.99 28.63 2hna n HIS 128 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hna n ASP 129 N -3.71 0.00 0.00 0.26 2.03 -1.26 -5.04 116.55 108.83 2hna n ASP 129 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2hna n ASP 129 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 0.00 -0.43 5.18 2.08 -1.26 -5.10 119.36 119.83 2hna n ILE 130 Ca 0.00 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.16 2hna n ILE 130 Cb 0.00 -0.83 0.15 0.00 -0.75 0.00 0.00 39.64 38.21 2hna n ILE 130 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2hna n PRO 131 N -2.60 -1.65 -4.46 0.38 -0.02 -1.26 -5.08 135.00 120.32 2hna n PRO 131 Ca 0.00 -0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 60.52 2hna n PRO 131 Cb 0.23 -1.39 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 2hna n PRO 131 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2hna s GLU 132 N -3.53 1.62 -0.12 -0.52 -1.05 -1.26 -4.96 118.70 108.89 2hna s GLU 132 Ca 0.34 -1.82 -0.32 0.00 -0.15 0.00 0.00 54.97 53.02 2hna s GLU 132 Cb -0.06 -1.29 -0.10 0.00 -0.44 0.00 0.00 34.13 32.25 2hna s GLU 132 CO 0.28 0.06 2.02 -3.47 0.95 0.00 0.00 175.26 175.11 2hna n ASP 133 N -0.63 3.44 -4.55 0.83 2.03 -1.26 -4.75 116.55 111.65 2hna n ASP 133 Ca -0.05 0.72 -0.32 0.00 0.52 0.00 0.00 54.79 55.66 2hna n ASP 133 Cb 0.63 -1.44 0.15 0.00 -0.72 0.00 0.00 41.12 39.75 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 7.53 -0.47 -3.75 -0.67 -0.02 -1.26 -5.00 135.00 131.36 2hna n PRO 134 Ca 0.26 -0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 2hna n PRO 134 Cb 0.35 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2hna n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hna s ALA 135 N -2.53 -0.89 0.47 3.55 0.00 -1.26 -5.03 121.76 116.08 2hna s ALA 135 Ca 0.63 0.77 0.26 0.00 0.00 0.00 0.00 51.96 53.61 2hna s ALA 135 Cb -0.22 -0.32 1.49 0.00 0.00 0.00 0.00 23.12 24.07 2hna s ALA 135 CO 0.62 -0.21 2.12 1.49 0.00 0.00 0.00 175.76 179.78 2hna h GLU 136 N 4.82 0.00 -0.58 0.00 4.81 -2.01 -2.92 114.58 118.70 2hna h GLU 136 Ca -0.28 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.08 2hna h GLU 136 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2hna h GLU 136 CO 0.33 0.09 0.40 0.93 -0.73 0.00 0.00 179.01 180.02 2hna h GLU 137 N 0.00 0.22 0.06 1.92 5.08 -1.98 -0.42 114.58 119.46 2hna h GLU 137 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2hna h GLU 137 Cb 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2hna h GLU 137 CO 0.01 0.15 -0.04 -1.49 -1.00 0.00 0.00 179.01 176.64 2hna h TRP 138 N 0.23 -0.11 0.18 4.33 6.55 -1.95 -0.57 115.95 124.61 2hna h TRP 138 Ca 0.27 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.10 2hna h TRP 138 Cb 0.76 0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.11 2hna h TRP 138 CO -0.00 -0.07 -0.08 -0.07 -1.05 0.00 0.00 178.44 177.17 2hna h LEU 139 N -0.11 -0.20 -0.51 -4.49 3.38 -1.32 -0.34 115.31 111.72 2hna h LEU 139 Ca -0.00 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.92 2hna h LEU 139 Cb 0.09 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2hna h LEU 139 CO 0.00 0.02 0.10 1.23 0.09 0.00 0.00 178.44 179.88 2hna h GLY 140 N -0.41 0.63 0.93 0.83 0.00 -1.18 0.13 103.07 103.99 2hna h GLY 140 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2hna h GLY 140 CO 0.04 -0.08 -0.34 0.23 0.00 0.00 0.00 176.54 176.40 2hna h SER 141 N 0.24 -0.79 -0.72 0.19 0.87 -1.01 -1.61 113.55 110.71 2hna h SER 141 Ca 0.26 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 2hna h SER 141 Cb 0.35 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 2hna h SER 141 CO -0.34 -0.51 0.43 -0.25 -0.53 0.00 0.00 176.83 175.62 2hna h TRP 142 N -1.03 0.79 0.55 2.24 7.01 -0.61 -0.94 115.95 123.95 2hna h TRP 142 Ca -0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2hna h TRP 142 Cb 0.74 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2hna h TRP 142 CO -0.01 0.40 -0.30 0.28 -2.79 0.00 0.00 178.44 176.02 2hna h VAL 143 N 0.79 0.39 0.00 2.65 2.07 -0.76 -0.59 116.25 120.80 2hna h VAL 143 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 2hna h VAL 143 Cb 0.15 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2hna h VAL 143 CO -0.16 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 176.97 2hna n ASN 144 N -5.44 0.53 -0.03 0.57 0.23 -0.61 -0.85 115.26 109.67 2hna n ASN 144 Ca -0.12 0.64 -0.16 0.00 -0.53 0.00 0.00 54.58 54.41 2hna n ASN 144 Cb 0.33 -0.75 -0.14 0.00 -2.08 0.00 0.00 39.78 37.15 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 0.16 -0.65 -4.53 4.07 -0.93 -3.37 115.31 110.06 2hna h LEU 145 Ca 0.00 -0.98 -0.15 0.00 0.08 0.00 0.00 57.88 56.83 2hna h LEU 145 Cb 0.31 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 2hna h LEU 145 CO 0.00 1.13 -0.58 0.17 -1.08 0.00 0.00 178.44 178.09 2hna h LEU 146 N -0.78 0.34 0.00 1.67 8.10 -0.39 -3.51 115.31 120.73 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 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.34 2hna h LEU 146 CO 0.05 0.84 0.00 0.29 -4.11 0.00 0.00 178.44 175.52