#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 -0.80 -0.27 -5.12 0.00 -1.26 -4.56 121.76 109.76 2hna s ALA 2 Ca 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 51.96 51.97 2hna s ALA 2 Cb 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.77 2hna s ALA 2 CO 0.00 -0.68 0.87 -3.47 0.00 0.00 0.00 175.76 172.47 2hna n ASP 3 N -0.25 0.53 -3.82 0.00 2.03 0.14 -4.93 116.55 110.25 2hna n ASP 3 Ca -0.13 0.09 -0.18 0.00 0.52 0.00 0.00 54.79 55.09 2hna n ASP 3 Cb 0.63 1.01 -0.16 0.00 -0.72 0.00 0.00 41.12 41.88 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 -3.37 0.23 -0.00 5.18 1.01 -1.00 -3.29 121.20 119.96 2hna s ILE 4 Ca -0.02 0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.52 2hna s ILE 4 Cb 0.12 -0.32 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 2hna s ILE 4 CO 0.83 0.16 0.49 0.28 0.00 0.00 0.00 174.94 176.70 2hna s THR 5 N 1.07 4.96 -0.60 2.92 -1.32 -1.14 -1.68 115.64 119.85 2hna s THR 5 Ca -0.09 1.01 -0.03 0.00 -1.21 0.00 0.00 61.69 61.37 2hna s THR 5 Cb -0.14 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.20 2hna s THR 5 CO -0.02 0.51 0.41 -0.76 -2.21 0.00 0.00 174.62 172.56 2hna s LEU 6 N -0.68 5.26 -0.58 9.08 2.01 -0.52 -1.28 118.68 131.96 2hna s LEU 6 Ca 0.26 -2.74 -0.23 0.00 0.01 0.00 0.00 54.13 51.43 2hna s LEU 6 Cb -0.17 -1.86 0.05 0.00 0.01 0.00 0.00 46.19 44.22 2hna s LEU 6 CO 0.15 -0.39 0.93 -0.63 1.01 0.00 0.00 176.35 177.41 2hna s ILE 7 N 0.10 4.40 -0.34 -0.59 1.01 -0.12 -1.75 121.20 123.90 2hna s ILE 7 Ca 0.16 0.04 0.12 0.00 0.00 0.00 0.00 60.65 60.97 2hna s ILE 7 Cb -0.20 -4.56 0.45 0.00 0.01 0.00 0.00 42.46 38.16 2hna s ILE 7 CO -0.03 -1.19 1.09 -1.20 0.00 0.00 0.00 174.94 173.60 2hna n SER 8 N 7.45 3.36 -2.82 3.58 7.64 0.39 -0.69 113.62 132.52 2hna n SER 8 Ca -0.01 -3.17 -0.11 0.00 1.01 0.00 0.00 58.87 56.60 2hna n SER 8 Cb 0.47 -0.46 0.06 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.44 1.62 0.25 0.23 0.00 -1.25 -3.47 105.19 102.13 2hna n GLY 9 Ca 0.27 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.69 2hna n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hna n SER 10 N 0.06 -0.38 -2.16 1.61 7.64 -0.82 -1.42 113.62 118.16 2hna n SER 10 Ca 0.09 1.16 -0.26 0.00 1.01 0.00 0.00 58.87 60.88 2hna n SER 10 Cb 0.74 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2hna n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hna n THR 11 N -5.02 2.59 -2.31 0.44 -1.04 -1.26 -3.57 114.28 104.10 2hna n THR 11 Ca 0.08 -4.29 -0.18 0.00 -2.04 0.00 0.00 64.05 57.62 2hna n THR 11 Cb 0.29 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.67 -1.61 -3.63 -4.42 7.94 -0.51 -4.92 117.00 109.18 2hna n LEU 12 Ca 0.44 0.11 -0.03 0.00 -1.11 0.00 0.00 56.01 55.42 2hna n LEU 12 Cb 0.87 -2.64 -0.03 0.00 0.53 0.00 0.00 43.42 42.15 2hna n LEU 12 CO 0.41 -0.28 1.10 -0.83 -1.11 0.00 0.00 177.39 176.68 2hna s GLY 13 N -2.10 -0.11 0.00 -3.96 0.00 -1.20 -5.00 107.32 94.95 2hna s GLY 13 Ca 0.00 2.21 0.00 0.00 0.00 0.00 0.00 44.72 46.93 2hna s GLY 13 CO 0.00 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.54 2hna n GLY 14 N 0.24 -0.89 2.19 0.20 0.00 -1.23 -1.95 105.19 103.75 2hna n GLY 14 Ca 0.01 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 5.37 -0.01 4.61 0.00 -1.24 -4.68 120.51 124.55 2hna n ALA 15 Ca 0.00 -1.71 0.16 0.00 0.00 0.00 0.00 53.44 51.89 2hna n ALA 15 Cb 0.00 -2.50 0.60 0.00 0.00 0.00 0.00 19.45 17.55 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 4.13 0.17 0.01 0.00 5.08 -1.94 -0.45 114.58 121.57 2hna h GLU 16 Ca 0.27 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2hna h GLU 16 Cb 0.96 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2hna h GLU 16 CO 0.59 0.11 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.79 2hna h TYR 17 N 0.18 -0.01 -0.60 4.33 5.03 -1.96 0.20 116.97 124.14 2hna h TYR 17 Ca 0.24 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 2hna h TYR 17 Cb 0.73 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 2hna h TYR 17 CO -0.00 0.04 -0.03 0.28 -1.32 0.00 0.00 178.16 177.13 2hna h VAL 18 N -0.06 1.27 -0.64 1.81 2.07 -1.71 -2.36 116.25 116.63 2hna h VAL 18 Ca -0.00 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2hna h VAL 18 Cb 0.05 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2hna h VAL 18 CO 0.00 0.43 0.29 0.00 0.02 0.00 0.00 177.57 178.32 2hna h ALA 19 N 0.98 1.32 -0.51 1.67 0.00 -0.91 -0.10 119.26 121.70 2hna h ALA 19 Ca 0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2hna h ALA 19 Cb 0.60 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2hna h ALA 19 CO 0.04 0.53 -0.14 1.49 0.00 0.00 0.00 179.25 181.16 2hna h GLU 20 N 0.91 0.99 -0.25 0.00 4.81 -0.69 0.10 114.58 120.45 2hna h GLU 20 Ca 0.22 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2hna h GLU 20 Cb 0.11 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2hna h GLU 20 CO -0.03 1.05 0.09 1.25 -0.73 0.00 0.00 179.01 180.64 2hna h HIS 21 N 0.87 0.39 -0.35 0.92 2.76 -0.91 -1.13 115.15 117.71 2hna h HIS 21 Ca 0.13 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2hna h HIS 21 Cb 0.70 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 2hna h HIS 21 CO 0.05 0.42 0.16 -0.07 -1.30 0.00 0.00 177.93 177.19 2hna h LEU 22 N 0.24 0.22 -0.47 0.26 3.38 -0.90 -1.94 115.31 116.11 2hna h LEU 22 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2hna h LEU 22 Cb 0.21 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2hna h LEU 22 CO -0.00 0.17 0.23 0.00 0.09 0.00 0.00 178.44 178.92 2hna h ALA 23 N 1.19 0.59 -0.27 1.53 0.00 -0.60 -0.16 119.26 121.54 2hna h ALA 23 Ca 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2hna h ALA 23 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hna h ALA 23 CO -0.12 -0.12 0.15 1.49 0.00 0.00 0.00 179.25 180.65 2hna h GLU 24 N 0.45 0.37 -0.43 0.00 4.81 -0.89 -0.53 114.58 118.37 2hna h GLU 24 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2hna h GLU 24 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2hna h GLU 24 CO -0.15 0.33 0.19 0.87 -0.73 0.00 0.00 179.01 179.52 2hna h LYS 25 N 0.32 0.60 -0.07 1.92 1.79 -0.93 -0.70 116.57 119.50 2hna h LYS 25 Ca 0.09 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 2hna h LYS 25 Cb 0.06 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2hna h LYS 25 CO -0.02 0.48 -0.62 -0.07 -1.08 0.00 0.00 179.45 178.14 2hna h LEU 26 N 0.60 0.28 -0.39 2.94 3.38 -0.52 -0.77 115.31 120.84 2hna h LEU 26 Ca 0.15 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2hna h LEU 26 Cb 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hna h LEU 26 CO -0.02 0.83 -0.50 -0.33 0.09 0.00 0.00 178.44 178.51 2hna h GLU 27 N 0.18 0.81 -0.24 1.13 5.08 -0.49 -2.84 114.58 118.22 2hna h GLU 27 Ca -0.01 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2hna h GLU 27 Cb 1.13 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2hna h GLU 27 CO 0.10 1.12 0.12 0.93 -1.00 0.00 0.00 179.01 180.28 2hna h GLU 28 N 0.64 0.32 0.00 2.33 4.39 -0.98 -0.84 114.58 120.44 2hna h GLU 28 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hna h GLU 28 Cb 1.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2hna h GLU 28 CO 0.11 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.21 2hna h ALA 29 N 1.81 1.00 0.00 3.43 0.00 -0.91 -3.46 119.26 121.13 2hna h ALA 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hna h ALA 29 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hna h ALA 29 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2hna n GLY 30 N -0.33 1.92 0.33 0.00 0.00 -0.33 -5.09 105.19 101.69 2hna n GLY 30 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 0.10 -4.30 1.61 3.72 -1.12 -5.04 117.46 112.37 2hna n PHE 31 Ca 0.00 -0.23 -0.19 0.00 -0.05 0.00 0.00 57.45 56.98 2hna n PHE 31 Cb 0.00 -0.03 -0.13 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.21 0.93 0.08 4.37 -4.23 -1.26 -4.30 115.64 110.03 2hna s THR 32 Ca 0.00 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2hna s THR 32 Cb 0.00 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 2hna s THR 32 CO 0.00 -0.02 -0.06 0.42 -0.54 0.00 0.00 174.62 174.42 2hna s THR 33 N -0.80 0.58 -0.39 3.99 -4.23 -1.26 -0.69 115.64 112.84 2hna s THR 33 Ca 0.00 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2hna s THR 33 Cb -0.07 -1.53 0.13 0.00 1.34 0.00 0.00 72.50 72.37 2hna s THR 33 CO 0.01 -0.84 0.20 -0.70 -0.54 0.00 0.00 174.62 172.74 2hna s GLU 34 N -3.59 1.01 -0.03 3.99 2.56 -0.67 -4.76 118.70 117.20 2hna s GLU 34 Ca 0.08 -1.64 -0.30 0.00 0.00 0.00 0.00 54.97 53.11 2hna s GLU 34 Cb 0.04 -2.07 -0.06 0.00 2.00 0.00 0.00 34.13 34.04 2hna s GLU 34 CO -0.05 -1.12 1.74 0.99 -0.56 0.00 0.00 175.26 176.26 2hna s THR 35 N 0.81 3.43 -0.02 -1.70 2.01 -1.26 -1.44 115.64 117.47 2hna s THR 35 Ca 0.16 0.52 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 2hna s THR 35 Cb -0.22 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 68.96 2hna s THR 35 CO -0.06 -0.05 0.27 -0.76 -0.69 0.00 0.00 174.62 173.33 2hna s LEU 36 N 4.20 1.01 -0.30 4.42 1.43 -0.72 -4.97 118.68 123.75 2hna s LEU 36 Ca 0.78 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2hna s LEU 36 Cb -0.36 1.12 0.29 0.00 0.03 0.00 0.00 46.19 47.27 2hna s LEU 36 CO 0.33 -0.40 1.78 0.00 0.23 0.00 0.00 176.35 178.28 2hna n HIS 37 N 1.47 1.66 -3.93 0.29 1.44 -1.26 -0.46 115.22 114.42 2hna n HIS 37 Ca -0.21 -1.68 -0.26 0.00 -2.01 0.00 0.00 57.72 53.56 2hna n HIS 37 Cb 0.56 -0.83 -0.02 0.00 0.12 0.00 0.00 29.99 29.83 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 -0.04 -0.30 0.17 -1.39 0.00 -1.26 -4.52 105.19 97.85 2hna n GLY 38 Ca 0.32 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.99 -1.80 132.00 128.09 2hna h PRO 39 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 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 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 179.65 2hna n LEU 40 N -2.40 2.01 0.00 1.56 4.77 -1.26 -5.01 117.00 116.67 2hna n LEU 40 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 2hna n LEU 40 Cb 0.16 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2hna n LEU 40 CO 0.17 0.55 0.00 -0.11 -1.33 0.00 0.00 177.39 176.67 2hna n LEU 41 N -0.79 0.00 -3.09 2.23 7.94 -0.68 -4.48 117.00 118.12 2hna n LEU 41 Ca 0.05 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.79 2hna n LEU 41 Cb 0.40 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.31 2hna n LEU 41 CO 0.00 0.00 -0.12 -1.84 -1.11 0.00 0.00 177.39 174.33 2hna n GLU 42 N 0.00 0.41 -0.23 1.96 0.28 -1.26 -4.88 120.64 116.92 2hna n GLU 42 Ca 0.00 -2.65 -0.06 0.00 -0.16 0.00 0.00 57.16 54.29 2hna n GLU 42 Cb 0.00 -1.53 0.04 0.00 1.43 0.00 0.00 31.44 31.38 2hna n GLU 42 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2hna h ASP 43 N 5.10 0.81 -3.72 -1.84 3.58 -1.96 -3.40 116.42 114.99 2hna h ASP 43 Ca 0.14 -0.10 -0.49 0.00 0.42 0.00 0.00 57.03 57.00 2hna h ASP 43 Cb 0.99 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.81 2hna h ASP 43 CO 0.25 0.67 0.15 -0.76 -2.88 0.00 0.00 179.24 176.68 2hna s LEU 44 N -9.95 4.18 0.00 2.28 1.43 -1.26 -5.09 118.68 110.28 2hna s LEU 44 Ca -0.13 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 2hna s LEU 44 Cb 0.14 -3.95 0.17 0.00 0.03 0.00 0.00 46.19 42.58 2hna s LEU 44 CO 0.78 -0.12 0.60 -0.81 0.23 0.00 0.00 176.35 177.03 2hna n PRO 45 N 0.09 -2.22 0.00 1.29 -0.04 -1.26 -4.86 135.00 128.01 2hna n PRO 45 Ca 0.02 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2hna n PRO 45 Cb 0.52 -0.90 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 -4.04 1.63 -3.27 0.55 0.00 -1.26 -4.60 120.51 109.52 2hna n ALA 46 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2hna n ALA 46 Cb 0.32 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.30 -0.07 0.00 0.00 0.01 -1.26 -3.61 113.70 108.46 2hna s SER 47 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2hna s SER 47 Cb 0.00 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2hna s SER 47 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2hna n GLY 48 N 3.49 0.15 3.05 3.44 0.00 -1.17 -4.93 105.19 109.22 2hna n GLY 48 Ca -0.18 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 2hna n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hna s ILE 49 N -0.69 0.98 0.24 -0.61 -1.09 -1.21 -3.50 121.20 115.32 2hna s ILE 49 Ca 0.00 -0.48 0.11 0.00 -2.23 0.00 0.00 60.65 58.05 2hna s ILE 49 Cb 0.00 -0.85 -0.05 0.00 -1.58 0.00 0.00 42.46 39.98 2hna s ILE 49 CO 0.00 0.29 -0.16 0.26 -1.23 0.00 0.00 174.94 174.10 2hna s TRP 50 N 0.08 2.42 -0.00 3.97 0.52 -0.61 -2.88 118.94 122.44 2hna s TRP 50 Ca -0.02 -0.30 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 2hna s TRP 50 Cb -0.09 -1.11 -0.00 0.00 -1.15 0.00 0.00 33.47 31.11 2hna s TRP 50 CO 0.01 0.61 0.04 -0.51 0.02 0.00 0.00 176.95 177.12 2hna s LEU 51 N -3.20 1.90 -0.08 2.99 1.43 -0.41 -2.85 118.68 118.46 2hna s LEU 51 Ca 0.27 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2hna s LEU 51 Cb -0.07 0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.44 2hna s LEU 51 CO 0.14 -0.20 -0.07 -0.69 0.23 0.00 0.00 176.35 175.76 2hna s VAL 52 N -0.83 0.89 -0.37 -1.59 1.01 -0.63 -0.94 120.40 117.95 2hna s VAL 52 Ca -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2hna s VAL 52 Cb -0.06 -0.90 0.11 0.00 0.00 0.00 0.00 36.38 35.54 2hna s VAL 52 CO 0.00 0.33 0.12 -0.63 0.00 0.00 0.00 175.10 174.91 2hna s ILE 53 N 1.32 1.72 0.29 2.22 1.09 0.13 -0.41 121.20 127.56 2hna s ILE 53 Ca -0.03 -2.18 -0.07 0.00 -1.10 0.00 0.00 60.65 57.27 2hna s ILE 53 Cb -0.14 -2.26 -0.00 0.00 -1.06 0.00 0.00 42.46 39.00 2hna s ILE 53 CO -0.03 -0.69 0.44 -0.44 -0.10 0.00 0.00 174.94 174.11 2hna s SER 54 N 0.92 0.41 -0.42 3.58 0.01 -0.91 -3.88 113.70 113.40 2hna s SER 54 Ca 0.12 -1.25 0.08 0.00 1.31 0.00 0.00 55.95 56.21 2hna s SER 54 Cb -0.20 0.60 0.25 0.00 0.21 0.00 0.00 66.02 66.88 2hna s SER 54 CO -0.12 -1.19 0.54 -1.20 0.41 0.00 0.00 173.24 171.69 2hna n SER 55 N -0.87 0.59 0.16 2.44 7.64 -1.26 -1.20 113.62 121.12 2hna n SER 55 Ca -0.00 -2.77 0.13 0.00 1.01 0.00 0.00 58.87 57.24 2hna n SER 55 Cb 0.62 -0.64 0.54 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.26 0.00 0.00 0.44 1.35 -1.89 -3.09 112.91 111.97 2hna h THR 56 Ca 0.09 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2hna h THR 56 Cb 0.85 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2hna h THR 56 CO 0.50 0.00 0.00 1.57 -0.25 0.00 0.00 175.52 177.34 2hna n HIS 57 N -2.41 0.00 1.57 4.73 -0.00 -1.26 -3.25 115.22 114.60 2hna n HIS 57 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.81 2hna n HIS 57 Cb 0.24 0.00 0.46 0.00 -0.00 0.00 0.00 29.99 30.68 2hna n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hna n GLY 58 N 4.50 -0.79 0.15 1.57 0.00 -1.26 -1.45 105.19 107.91 2hna n GLY 58 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.81 1.66 -2.06 4.61 0.00 -1.26 -5.05 120.51 117.60 2hna n ALA 59 Ca 0.12 -1.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.08 2hna n ALA 59 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.89 1.01 0.77 0.00 0.00 -0.53 -4.85 107.32 102.83 2hna s GLY 60 Ca 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.98 2hna s GLY 60 CO 0.00 3.13 1.16 -0.35 0.00 0.00 0.00 173.10 177.04 2hna s ASP 61 N 5.12 4.05 0.05 1.64 2.15 -1.26 -4.81 116.67 123.61 2hna s ASP 61 Ca 0.75 2.18 -0.10 0.00 0.43 0.00 0.00 52.55 55.81 2hna s ASP 61 Cb -0.23 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.80 2hna s ASP 61 CO 0.32 -2.35 0.51 -0.38 -0.17 0.00 0.00 175.17 173.10 2hna n ILE 62 N -3.18 -0.22 0.08 4.11 2.08 -1.26 -2.17 119.36 118.80 2hna n ILE 62 Ca 0.12 0.80 -0.07 0.00 0.56 0.00 0.00 62.75 64.16 2hna n ILE 62 Cb 0.51 -0.99 0.06 0.00 -0.75 0.00 0.00 39.64 38.47 2hna n ILE 62 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2hna h PRO 63 N 0.00 0.24 0.00 0.38 0.13 -2.03 -3.45 132.00 127.27 2hna h PRO 63 Ca 0.05 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2hna h PRO 63 Cb 0.13 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2hna h PRO 63 CO -0.31 0.86 0.00 -3.47 -0.23 0.00 0.00 178.00 174.86 2hna n ASP 64 N -3.78 0.00 0.00 1.44 2.03 -0.92 -5.03 116.55 110.28 2hna n ASP 64 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2hna n ASP 64 Cb 0.70 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 0.00 0.00 -3.49 1.67 5.15 -1.08 -4.62 115.26 112.89 2hna n ASN 65 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 2hna n ASN 65 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 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 7.47 -0.18 1.20 4.32 -1.26 -4.35 117.00 124.21 2hna n LEU 66 Ca 0.00 -5.21 -0.08 0.00 -0.02 0.00 0.00 56.01 50.70 2hna n LEU 66 Cb 0.00 -1.19 -0.03 0.00 -1.62 0.00 0.00 43.42 40.58 2hna n LEU 66 CO 0.00 2.01 0.58 0.28 -1.22 0.00 0.00 177.39 179.04 2hna h SER 67 N 4.09 -1.40 -0.01 -1.43 0.02 -1.95 0.12 113.55 112.98 2hna h SER 67 Ca 0.57 0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 61.60 2hna h SER 67 Cb 0.29 0.64 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2hna h SER 67 CO 1.25 -0.34 -0.57 1.55 -1.14 0.00 0.00 176.83 177.58 2hna h PRO 68 N -0.25 0.41 -0.44 3.45 0.13 -1.91 -3.33 132.00 130.06 2hna h PRO 68 Ca 0.17 -0.42 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 2hna h PRO 68 Cb 0.57 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2hna h PRO 68 CO -0.64 1.09 0.06 0.74 -0.23 0.00 0.00 178.00 179.01 2hna h PHE 69 N -0.10 0.80 -0.30 1.56 0.04 -1.70 -1.34 116.94 115.89 2hna h PHE 69 Ca -0.07 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 2hna h PHE 69 Cb 1.28 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2hna h PHE 69 CO 0.14 0.76 0.04 -0.92 -0.60 0.00 0.00 178.31 177.74 2hna h TYR 70 N 0.60 0.54 -0.58 -0.55 3.20 -0.95 0.74 116.97 119.97 2hna h TYR 70 Ca 0.13 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2hna h TYR 70 Cb 0.41 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2hna h TYR 70 CO 0.03 0.60 0.24 0.93 -1.64 0.00 0.00 178.16 178.32 2hna h GLU 71 N 0.32 0.87 -0.83 1.82 5.08 -1.64 -1.54 114.58 118.66 2hna h GLU 71 Ca 0.09 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2hna h GLU 71 Cb 0.36 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2hna h GLU 71 CO 0.01 0.74 0.38 0.00 -1.00 0.00 0.00 179.01 179.14 2hna h ALA 72 N 1.08 1.07 0.14 3.43 0.00 -0.99 -0.67 119.26 123.32 2hna h ALA 72 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2hna h ALA 72 Cb 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2hna h ALA 72 CO -0.02 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.74 2hna h LEU 73 N 1.19 -0.20 -1.47 0.00 3.38 -0.48 -2.78 115.31 114.94 2hna h LEU 73 Ca 0.28 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2hna h LEU 73 Cb 0.15 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2hna h LEU 73 CO -0.03 -0.13 -0.16 1.56 0.09 0.00 0.00 178.44 179.77 2hna h GLN 74 N -0.21 0.15 -0.06 1.13 4.20 -1.00 0.90 115.11 120.22 2hna h GLN 74 Ca -0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2hna h GLN 74 Cb 0.17 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2hna h GLN 74 CO 0.02 0.31 -0.26 1.49 -0.67 0.00 0.00 178.83 179.72 2hna h GLU 75 N 0.14 0.10 0.00 1.46 4.81 -0.85 -3.37 114.58 116.88 2hna h GLU 75 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hna h GLU 75 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2hna h GLU 75 CO 0.02 0.37 -0.79 0.00 -0.73 0.00 0.00 179.01 177.88 2hna n GLN 76 N -4.19 2.65 -3.85 1.92 10.64 -1.10 -5.07 117.38 118.39 2hna n GLN 76 Ca -0.02 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.88 2hna n GLN 76 Cb 0.34 -0.89 0.01 0.00 -0.86 0.00 0.00 30.24 28.83 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 -1.55 -0.60 -0.93 2.61 5.02 0.29 -4.87 118.16 118.13 2hna n LYS 77 Ca 0.00 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 2hna n LYS 77 Cb 0.29 -1.19 0.14 0.00 -0.02 0.00 0.00 35.03 34.24 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 -6.09 1.49 -1.14 1.97 0.04 -1.26 -4.85 135.00 125.16 2hna s PRO 78 Ca 0.26 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 2hna s PRO 78 Cb -0.14 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2hna s PRO 78 CO 0.60 -2.24 1.92 -3.47 0.04 0.00 0.00 177.00 173.85 2hna n ASP 79 N -3.95 3.43 0.00 6.66 2.03 -1.26 -4.48 116.55 118.98 2hna n ASP 79 Ca 0.10 -2.76 0.01 0.00 0.52 0.00 0.00 54.79 52.67 2hna n ASP 79 Cb 0.53 -1.58 0.05 0.00 -0.72 0.00 0.00 41.12 39.40 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 10.56 0.00 0.25 -2.67 4.32 -1.02 -4.15 117.00 124.29 2hna n LEU 80 Ca 0.48 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.64 2hna n LEU 80 Cb 0.44 0.00 0.90 0.00 -1.62 0.00 0.00 43.42 43.14 2hna n LEU 80 CO 0.81 0.00 1.01 0.28 -1.22 0.00 0.00 177.39 178.27 2hna h SER 81 N 0.00 0.00 -0.68 -1.43 0.02 -1.73 -1.70 113.55 108.03 2hna h SER 81 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hna h SER 81 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hna h SER 81 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2hna n ALA 82 N -1.94 2.51 -2.23 3.77 0.00 -1.25 -4.94 120.51 116.43 2hna n ALA 82 Ca -0.02 -1.26 -0.13 0.00 0.00 0.00 0.00 53.44 52.03 2hna n ALA 82 Cb 0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.21 0.99 0.12 0.00 0.11 -0.65 -3.03 120.40 116.73 2hna s VAL 83 Ca 0.46 -2.02 0.09 0.00 -2.93 0.00 0.00 61.98 57.58 2hna s VAL 83 Cb 0.25 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 2hna s VAL 83 CO 0.30 -0.73 -0.22 0.00 -3.33 0.00 0.00 175.10 171.12 2hna s ARG 84 N -3.79 1.21 0.22 1.54 1.70 -1.23 -3.48 118.95 115.12 2hna s ARG 84 Ca 0.17 -1.25 0.05 0.00 -0.47 0.00 0.00 55.73 54.23 2hna s ARG 84 Cb 0.04 -1.51 -0.05 0.00 -0.57 0.00 0.00 34.95 32.86 2hna s ARG 84 CO 0.00 0.35 -0.05 -0.59 -1.08 0.00 0.00 175.30 173.92 2hna s PHE 85 N -1.27 1.59 -0.12 5.89 -0.71 -0.16 -1.57 117.98 121.63 2hna s PHE 85 Ca 0.10 -0.80 -0.02 0.00 -1.04 0.00 0.00 56.93 55.17 2hna s PHE 85 Cb -0.09 -0.87 0.04 0.00 -1.21 0.00 0.00 43.02 40.88 2hna s PHE 85 CO 0.05 0.10 -0.00 0.20 -1.34 0.00 0.00 175.22 174.23 2hna s GLY 86 N -3.30 0.62 0.44 1.99 0.00 -1.13 -2.28 107.32 103.65 2hna s GLY 86 Ca 0.25 -0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.33 2hna s GLY 86 CO 0.07 1.17 1.25 0.00 0.00 0.00 0.00 173.10 175.59 2hna s ALA 87 N 1.88 3.11 -0.04 3.20 0.00 -1.26 -1.60 121.76 127.06 2hna s ALA 87 Ca 0.03 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 2hna s ALA 87 Cb -0.14 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.56 2hna s ALA 87 CO -0.07 -0.79 0.07 0.42 0.00 0.00 0.00 175.76 175.39 2hna s ILE 88 N -1.37 -0.05 0.00 0.00 1.01 0.45 -1.07 121.20 120.18 2hna s ILE 88 Ca 0.60 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2hna s ILE 88 Cb -0.34 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2hna s ILE 88 CO 0.43 0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2hna n GLY 89 N 4.06 2.24 3.60 6.18 0.00 -0.07 -2.15 105.19 119.05 2hna n GLY 89 Ca -0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 2hna n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hna n ILE 90 N -0.46 1.86 -0.23 -0.61 5.41 -0.34 -4.44 119.36 120.55 2hna n ILE 90 Ca 0.00 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2hna n ILE 90 Cb 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 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 1.31 -0.74 0.25 7.39 0.00 -1.26 -4.79 105.19 107.34 2hna n GLY 91 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.65 0.00 1.61 0.02 -1.87 -2.89 113.55 109.77 2hna h SER 92 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2hna h SER 92 Cb 0.15 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2hna h SER 92 CO 0.00 -0.27 0.00 0.54 -1.14 0.00 0.00 176.83 175.96 2hna n ARG 93 N -5.34 0.00 0.00 3.45 5.12 -1.26 -3.37 116.66 115.25 2hna n ARG 93 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2hna n ARG 93 Cb 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 2hna n ARG 93 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2hna n GLU 94 N 0.00 0.00 0.00 5.56 1.02 -1.26 -4.87 120.64 121.08 2hna n GLU 94 Ca 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2hna n GLU 94 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 2hna n GLU 94 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2hna n TYR 95 N 0.00 0.00 -1.80 -0.32 9.36 -1.23 -4.69 117.16 118.48 2hna n TYR 95 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 2hna n TYR 95 Cb 0.38 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.20 2hna n TYR 95 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2hna n ASP 96 N -0.38 3.32 -1.43 2.98 2.03 -1.09 -4.81 116.55 117.17 2hna n ASP 96 Ca 0.00 -3.83 0.00 0.00 0.52 0.00 0.00 54.79 51.48 2hna n ASP 96 Cb 0.00 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 -0.92 0.81 -0.09 5.18 -2.24 -1.22 -4.51 114.28 111.29 2hna n THR 97 Ca 0.32 -0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2hna n THR 97 Cb 0.83 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 2hna n THR 97 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2hna n PHE 98 N 1.33 0.00 -0.03 4.78 7.35 -1.26 -4.36 117.46 125.26 2hna n PHE 98 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 2hna n PHE 98 Cb 0.26 -0.74 0.06 0.00 0.35 0.00 0.00 39.48 39.40 2hna n PHE 98 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hna n GLY 100 N 0.03 -0.81 2.47 0.00 0.00 -1.26 -5.06 105.19 100.56 2hna n GLY 100 Ca 0.05 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 3.06 0.04 4.61 0.00 -1.26 -4.49 120.51 122.47 2hna n ALA 101 Ca 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.62 2hna n ALA 101 Cb 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.62 2hna n ALA 101 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2hna n ILE 102 N 0.06 0.81 0.26 0.00 -5.35 -1.26 -1.45 119.36 112.43 2hna n ILE 102 Ca 0.26 0.20 0.07 0.00 -0.27 0.00 0.00 62.75 63.02 2hna n ILE 102 Cb 0.59 -1.19 0.40 0.00 -1.74 0.00 0.00 39.64 37.70 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 0.00 0.00 -0.73 7.28 3.58 -1.90 -2.61 116.42 122.03 2hna h ASP 103 Ca 0.00 0.00 0.25 0.00 0.42 0.00 0.00 57.03 57.70 2hna h ASP 103 Cb 0.01 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 2hna h ASP 103 CO 0.00 0.00 0.20 0.29 -2.88 0.00 0.00 179.24 176.85 2hna n LYS 104 N -2.41 -0.05 0.16 0.28 5.02 -0.53 -0.74 118.16 119.88 2hna n LYS 104 Ca -0.01 1.05 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 2hna n LYS 104 Cb 0.55 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 2hna n LYS 104 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2hna h LEU 105 N 0.00 -0.29 -0.57 -0.35 7.12 -1.78 -0.13 115.31 119.31 2hna h LEU 105 Ca 0.53 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.47 2hna h LEU 105 Cb 1.26 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.44 2hna h LEU 105 CO -0.63 -0.13 0.32 -0.33 -0.13 0.00 0.00 178.44 177.54 2hna h GLU 106 N -0.44 0.79 -0.49 1.25 5.08 -1.40 -2.95 114.58 116.42 2hna h GLU 106 Ca -0.04 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2hna h GLU 106 Cb 0.33 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2hna h GLU 106 CO 0.06 0.60 0.33 0.00 -1.00 0.00 0.00 179.01 179.00 2hna h ALA 107 N 1.14 0.63 -0.34 3.43 0.00 -0.73 -1.56 119.26 121.83 2hna h ALA 107 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2hna h ALA 107 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2hna h ALA 107 CO -0.03 0.07 -0.26 0.93 0.00 0.00 0.00 179.25 179.96 2hna h GLU 108 N 0.67 0.69 -0.43 0.00 4.39 -0.93 0.11 114.58 119.09 2hna h GLU 108 Ca 0.18 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2hna h GLU 108 Cb -0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2hna h GLU 108 CO -0.04 0.88 0.22 -0.07 -1.16 0.00 0.00 179.01 178.84 2hna h LEU 109 N 0.60 0.55 -0.70 1.33 3.38 -1.32 -0.61 115.31 118.54 2hna h LEU 109 Ca 0.08 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2hna h LEU 109 Cb 0.75 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2hna h LEU 109 CO 0.06 0.50 0.01 0.11 0.09 0.00 0.00 178.44 179.21 2hna h LYS 110 N 0.55 1.01 -0.78 1.13 1.57 -0.93 -0.89 116.57 118.23 2hna h LYS 110 Ca 0.15 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2hna h LYS 110 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2hna h LYS 110 CO -0.02 0.99 0.45 -0.97 -0.57 0.00 0.00 179.45 179.32 2hna h ASN 111 N 0.93 0.96 0.68 0.86 -1.24 -0.60 -2.85 115.58 114.32 2hna h ASN 111 Ca 0.17 -0.08 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 2hna h ASN 111 Cb 0.53 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2hna h ASN 111 CO 0.03 0.76 -0.57 0.28 -1.29 0.00 0.00 177.43 176.65 2hna h SER 112 N 1.08 0.00 0.00 1.15 0.02 -0.62 -3.47 113.55 111.70 2hna h SER 112 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2hna h SER 112 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hna h SER 112 CO -0.05 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 2hna n GLY 113 N 0.26 0.43 3.64 -3.77 0.00 -0.40 -2.42 105.19 102.93 2hna n GLY 113 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 3.38 0.35 4.61 0.00 -0.84 -3.84 121.76 125.42 2hna s ALA 114 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 2hna s ALA 114 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 23.12 19.20 2hna s ALA 114 CO 0.00 -1.76 1.47 -1.59 0.00 0.00 0.00 175.76 173.88 2hna s LYS 115 N 4.46 4.16 -0.04 0.00 -2.85 -1.23 -3.86 119.74 120.38 2hna s LYS 115 Ca 0.71 2.51 -0.29 0.00 -1.00 0.00 0.00 55.97 57.90 2hna s LYS 115 Cb -0.27 -3.00 -0.03 0.00 -2.06 0.00 0.00 37.83 32.47 2hna s LYS 115 CO 0.28 -0.49 0.95 -1.14 0.10 0.00 0.00 175.35 175.06 2hna s GLN 116 N -1.73 4.51 0.05 1.78 0.74 -1.26 -0.98 119.66 122.77 2hna s GLN 116 Ca 0.54 1.34 0.02 0.00 0.05 0.00 0.00 55.36 57.31 2hna s GLN 116 Cb -0.45 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 2hna s GLN 116 CO 0.58 -0.11 0.08 0.99 -0.55 0.00 0.00 175.29 176.29 2hna s THR 117 N 1.25 4.60 0.00 -0.34 2.01 -0.96 -4.93 115.64 117.26 2hna s THR 117 Ca 0.49 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2hna s THR 117 Cb -0.20 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2hna s THR 117 CO 0.24 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2hna n GLY 118 N 0.70 3.11 3.24 4.40 0.00 -1.26 -4.79 105.19 110.59 2hna n GLY 118 Ca -0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.98 -0.15 1.61 -1.05 -1.26 -5.12 118.70 113.72 2hna s GLU 119 Ca 0.00 -1.19 -0.39 0.00 -0.15 0.00 0.00 54.97 53.24 2hna s GLU 119 Cb 0.00 0.32 -0.16 0.00 -0.44 0.00 0.00 34.13 33.85 2hna s GLU 119 CO 0.00 -0.32 1.63 2.41 0.95 0.00 0.00 175.26 179.93 2hna n THR 120 N -0.12 0.22 -2.34 1.83 -1.04 -1.26 -4.90 114.28 106.67 2hna n THR 120 Ca -0.09 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.05 61.52 2hna n THR 120 Cb 0.63 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.98 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 2.60 3.97 -0.05 -4.42 0.20 -0.23 -4.92 118.68 115.82 2hna s LEU 121 Ca 0.93 2.19 0.06 0.00 0.69 0.00 0.00 54.13 58.00 2hna s LEU 121 Cb -1.01 -4.33 -0.02 0.00 -0.43 0.00 0.00 46.19 40.41 2hna s LEU 121 CO 0.59 -0.88 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.00 2hna s LYS 122 N -2.82 2.50 -0.00 1.98 1.02 -1.26 -0.89 119.74 120.26 2hna s LYS 122 Ca 0.65 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.82 2hna s LYS 122 Cb -0.25 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 2hna s LYS 122 CO 0.30 0.45 -0.13 0.96 -0.92 0.00 0.00 175.35 176.01 2hna s ILE 123 N -0.32 1.06 0.12 2.17 -5.25 -1.25 -1.71 121.20 116.02 2hna s ILE 123 Ca 0.01 -0.62 -0.24 0.00 -0.99 0.00 0.00 60.65 58.81 2hna s ILE 123 Cb -0.13 -0.89 0.07 0.00 2.95 0.00 0.00 42.46 44.46 2hna s ILE 123 CO 0.02 0.26 0.62 0.21 -1.79 0.00 0.00 174.94 174.26 2hna s ASN 124 N -0.42 -0.58 0.00 4.36 3.84 -1.26 -4.62 114.94 116.27 2hna s ASN 124 Ca 0.05 0.12 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2hna s ASN 124 Cb -0.05 0.59 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 2hna s ASN 124 CO -0.00 -0.90 0.00 2.30 -2.79 0.00 0.00 177.10 175.70 2hna n ILE 125 N -0.16 0.00 0.00 -5.21 -5.35 -1.26 -4.48 119.36 102.90 2hna n ILE 125 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2hna n ILE 125 Cb 0.64 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 2hna n ILE 125 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2hna n LEU 126 N 0.00 0.00 -4.33 7.28 7.94 -1.26 -4.21 117.00 122.42 2hna n LEU 126 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 2hna n LEU 126 Cb 0.00 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 2hna n LEU 126 CO 0.00 0.00 -0.55 -0.62 -1.11 0.00 0.00 177.39 175.11 2hna s ASP 127 N 0.00 3.21 0.62 1.96 2.15 -1.26 -5.12 116.67 118.22 2hna s ASP 127 Ca 0.00 -0.44 -0.18 0.00 0.43 0.00 0.00 52.55 52.37 2hna s ASP 127 Cb 0.00 -0.52 -0.05 0.00 -0.30 0.00 0.00 42.92 42.05 2hna s ASP 127 CO 0.00 0.31 0.83 0.00 -0.17 0.00 0.00 175.17 176.14 2hna n HIS 128 N 2.52 0.34 0.00 -5.34 1.44 -1.26 -4.97 115.22 107.95 2hna n HIS 128 Ca -0.16 0.42 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 2hna n HIS 128 Cb 0.51 -2.07 0.00 0.00 0.12 0.00 0.00 29.99 28.55 2hna n HIS 128 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2hna n ASP 129 N -0.57 0.00 0.08 4.39 2.03 -1.26 -5.05 116.55 116.17 2hna n ASP 129 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2hna n ASP 129 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.18 0.46 1.33 5.18 2.08 -1.26 -4.80 119.36 122.19 2hna n ILE 130 Ca 0.00 0.15 0.14 0.00 0.56 0.00 0.00 62.75 63.61 2hna n ILE 130 Cb 0.00 -1.00 0.66 0.00 -0.75 0.00 0.00 39.64 38.55 2hna n ILE 130 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2hna n PRO 131 N -3.35 0.42 0.00 0.38 -0.04 -1.26 -4.92 135.00 126.22 2hna n PRO 131 Ca 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2hna n PRO 131 Cb 0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2hna n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2hna n GLU 132 N -1.22 0.00 -3.80 0.54 2.13 -1.26 -4.89 120.64 112.13 2hna n GLU 132 Ca 0.13 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.80 2hna n GLU 132 Cb 0.27 -0.20 -0.16 0.00 0.27 0.00 0.00 31.44 31.63 2hna n GLU 132 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2hna s ASP 133 N 0.00 0.07 0.82 4.31 2.15 -1.26 -4.79 116.67 117.98 2hna s ASP 133 Ca 0.00 0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.90 2hna s ASP 133 Cb 0.00 -0.06 0.09 0.00 -0.30 0.00 0.00 42.92 42.65 2hna s ASP 133 CO 0.00 -0.10 1.12 -2.16 -0.17 0.00 0.00 175.17 173.86 2hna s PRO 134 N 0.85 1.77 -0.34 4.34 0.04 -1.26 -3.93 135.00 136.46 2hna s PRO 134 Ca -0.07 1.36 0.15 0.00 0.04 0.00 0.00 61.00 62.48 2hna s PRO 134 Cb -0.10 -1.83 0.42 0.00 0.04 0.00 0.00 34.50 33.03 2hna s PRO 134 CO -0.02 -2.04 0.95 0.00 0.04 0.00 0.00 177.00 175.93 2hna n ALA 135 N -3.73 2.73 0.30 8.56 0.00 -0.69 -4.87 120.51 122.81 2hna n ALA 135 Ca 0.10 -2.94 0.18 0.00 0.00 0.00 0.00 53.44 50.78 2hna n ALA 135 Cb 0.52 -0.95 0.99 0.00 0.00 0.00 0.00 19.45 20.01 2hna n ALA 135 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2hna h GLU 136 N 2.90 0.00 -0.34 0.00 4.11 -1.96 -1.28 114.58 118.01 2hna h GLU 136 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 2hna h GLU 136 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2hna h GLU 136 CO 0.43 0.00 -0.21 0.93 0.07 0.00 0.00 179.01 180.23 2hna h GLU 137 N 0.00 0.65 -0.52 1.06 5.08 -1.98 -1.01 114.58 117.86 2hna h GLU 137 Ca 0.01 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2hna h GLU 137 Cb 0.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2hna h GLU 137 CO -0.00 0.81 0.34 -1.49 -1.00 0.00 0.00 179.01 177.67 2hna h TRP 138 N 0.57 0.64 -0.36 4.33 6.55 -1.63 -0.62 115.95 125.43 2hna h TRP 138 Ca 0.09 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.94 2hna h TRP 138 Cb 0.67 -0.22 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 2hna h TRP 138 CO 0.03 0.40 0.20 1.25 -1.05 0.00 0.00 178.44 179.27 2hna h LEU 139 N 0.69 0.45 -0.56 -4.49 5.85 -1.17 0.15 115.31 116.23 2hna h LEU 139 Ca 0.19 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2hna h LEU 139 Cb -0.07 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2hna h LEU 139 CO -0.05 0.40 0.37 1.23 -0.34 0.00 0.00 178.44 180.05 2hna h GLY 140 N 0.46 0.79 0.93 3.75 0.00 -1.04 -0.81 103.07 107.16 2hna h GLY 140 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2hna h GLY 140 CO -0.02 0.29 -0.31 1.76 0.00 0.00 0.00 176.54 178.26 2hna h SER 141 N 0.76 -0.73 -0.94 0.19 0.02 -0.65 -1.54 113.55 110.66 2hna h SER 141 Ca 0.21 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2hna h SER 141 Cb -0.08 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2hna h SER 141 CO -0.04 -0.47 0.62 -0.25 -1.14 0.00 0.00 176.83 175.55 2hna h TRP 142 N -0.94 1.17 0.53 3.45 7.01 -0.64 0.40 115.95 126.93 2hna h TRP 142 Ca -0.09 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 2hna h TRP 142 Cb 0.68 -0.39 0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2hna h TRP 142 CO -0.02 0.72 -0.25 0.28 -2.79 0.00 0.00 178.44 176.38 2hna h VAL 143 N 1.24 0.43 0.00 2.65 2.07 -1.16 -1.53 116.25 119.96 2hna h VAL 143 Ca 0.36 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2hna h VAL 143 Cb -0.09 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2hna h VAL 143 CO -0.09 0.04 -0.09 -0.55 0.02 0.00 0.00 177.57 176.90 2hna h ASN 144 N -0.87 0.00 -0.26 0.57 7.08 -0.77 -0.40 115.58 120.93 2hna h ASN 144 Ca -0.07 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.09 2hna h ASN 144 Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2hna h ASN 144 CO 0.12 0.09 -0.06 -0.07 -2.08 0.00 0.00 177.43 175.42 2hna h LEU 145 N 0.00 0.50 -0.65 6.14 4.07 -0.91 -3.27 115.31 121.19 2hna h LEU 145 Ca -0.00 -0.37 -0.04 0.00 0.08 0.00 0.00 57.88 57.55 2hna h LEU 145 Cb 0.55 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2hna h LEU 145 CO 0.01 0.75 -0.19 0.17 -1.08 0.00 0.00 178.44 178.11 2hna h LEU 146 N 0.24 0.00 0.00 1.67 8.10 -0.15 -3.51 115.31 121.66 2hna h LEU 146 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 2hna h LEU 146 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2hna h LEU 146 CO 0.03 0.19 0.00 0.29 -4.11 0.00 0.00 178.44 174.83