#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 -0.41 -0.09 -5.12 0.00 -1.26 -4.63 121.76 110.25 2hna s ALA 2 Ca 0.00 -0.61 0.21 0.00 0.00 0.00 0.00 51.96 51.55 2hna s ALA 2 Cb 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 23.12 23.71 2hna s ALA 2 CO 0.00 -0.74 0.40 -3.47 0.00 0.00 0.00 175.76 171.96 2hna n ASP 3 N -0.29 0.07 -3.88 0.00 2.03 0.62 -4.92 116.55 110.18 2hna n ASP 3 Ca -0.08 0.03 -0.22 0.00 0.52 0.00 0.00 54.79 55.05 2hna n ASP 3 Cb 0.63 1.57 -0.17 0.00 -0.72 0.00 0.00 41.12 42.43 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 -3.20 0.60 -0.08 5.18 1.01 -1.05 -3.22 121.20 120.45 2hna s ILE 4 Ca -0.08 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 2hna s ILE 4 Cb 0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 2hna s ILE 4 CO 0.88 0.26 0.74 0.28 0.00 0.00 0.00 174.94 177.10 2hna s THR 5 N 1.19 5.01 -0.74 2.92 -1.32 -1.11 -1.23 115.64 120.36 2hna s THR 5 Ca -0.06 1.52 -0.06 0.00 -1.21 0.00 0.00 61.69 61.88 2hna s THR 5 Cb -0.14 -4.08 0.19 0.00 -1.51 0.00 0.00 72.50 66.96 2hna s THR 5 CO -0.02 0.21 0.60 -0.76 -2.21 0.00 0.00 174.62 172.44 2hna s LEU 6 N 1.04 5.70 -0.95 9.08 2.01 -0.22 -1.49 118.68 133.84 2hna s LEU 6 Ca 0.39 -2.99 -0.24 0.00 0.01 0.00 0.00 54.13 51.30 2hna s LEU 6 Cb -0.18 -1.96 0.03 0.00 0.01 0.00 0.00 46.19 44.09 2hna s LEU 6 CO 0.18 -0.38 1.54 -0.63 1.01 0.00 0.00 176.35 178.07 2hna s ILE 7 N -0.27 3.79 -0.94 -0.59 1.01 0.07 -1.67 121.20 122.61 2hna s ILE 7 Ca 0.19 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.42 2hna s ILE 7 Cb -0.15 -4.81 0.51 0.00 0.01 0.00 0.00 42.46 38.01 2hna s ILE 7 CO -0.06 -1.71 1.33 -1.20 0.00 0.00 0.00 174.94 173.30 2hna n SER 8 N 10.03 3.68 -2.72 3.58 7.64 0.11 -0.70 113.62 135.24 2hna n SER 8 Ca 0.31 -2.43 -0.04 0.00 1.01 0.00 0.00 58.87 57.71 2hna n SER 8 Cb 0.50 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.66 -1.05 0.15 0.23 0.00 -1.21 -1.37 105.19 102.60 2hna n GLY 9 Ca 0.18 0.80 0.08 0.00 0.00 0.00 0.00 46.02 47.08 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 2.51 0.42 -1.18 1.61 7.64 -1.26 -1.44 113.62 121.93 2hna n SER 10 Ca 0.13 0.65 -0.04 0.00 1.01 0.00 0.00 58.87 60.62 2hna n SER 10 Cb 0.62 -0.66 0.13 0.00 -1.01 0.00 0.00 64.21 63.29 2hna n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2hna n THR 11 N -2.10 2.12 -1.89 0.44 -2.24 -1.26 -3.39 114.28 105.96 2hna n THR 11 Ca -0.01 -3.38 -0.19 0.00 -2.27 0.00 0.00 64.05 58.20 2hna n THR 11 Cb 0.15 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 2hna n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2hna n LEU 12 N -0.87 -1.54 0.00 3.22 4.77 -0.52 -4.85 117.00 117.22 2hna n LEU 12 Ca 0.25 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2hna n LEU 12 Cb 0.81 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 2hna n LEU 12 CO 0.10 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 2hna n GLY 13 N -0.60 2.23 0.00 -0.72 0.00 -1.23 -4.90 105.19 99.97 2hna n GLY 13 Ca -0.20 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.70 1.18 0.32 -0.02 0.00 -1.15 -4.09 105.19 100.73 2hna n GLY 14 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.64 -0.24 4.61 0.00 -0.47 -4.94 120.51 121.11 2hna n ALA 15 Ca 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.11 2hna n ALA 15 Cb 0.00 -0.18 0.40 0.00 0.00 0.00 0.00 19.45 19.68 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 0.62 0.06 0.00 3.07 -1.90 -0.28 114.58 116.14 2hna h GLU 16 Ca 0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2hna h GLU 16 Cb 1.14 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 2hna h GLU 16 CO 0.00 0.41 -0.03 -0.92 -1.40 0.00 0.00 179.01 177.07 2hna h TYR 17 N 0.63 -0.07 0.06 4.33 3.20 -1.93 0.32 116.97 123.51 2hna h TYR 17 Ca 0.43 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 62.06 2hna h TYR 17 Cb 0.73 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2hna h TYR 17 CO -0.00 -0.01 -1.10 -0.24 -1.64 0.00 0.00 178.16 175.17 2hna h VAL 18 N -0.11 1.62 -0.63 1.81 3.04 -1.89 -3.22 116.25 116.87 2hna h VAL 18 Ca -0.01 -3.23 -0.04 0.00 -1.01 0.00 0.00 66.70 62.41 2hna h VAL 18 Cb 0.09 2.87 -0.03 0.00 -2.01 0.00 0.00 31.29 32.21 2hna h VAL 18 CO 0.01 0.93 0.23 0.00 -1.01 0.00 0.00 177.57 177.74 2hna h ALA 19 N 0.82 1.23 -0.87 3.17 0.00 -0.93 -1.41 119.26 121.28 2hna h ALA 19 Ca -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2hna h ALA 19 Cb 1.84 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2hna h ALA 19 CO 0.16 0.56 0.43 1.49 0.00 0.00 0.00 179.25 181.89 2hna h GLU 20 N 0.91 1.24 -0.17 0.00 4.81 -0.95 0.99 114.58 121.41 2hna h GLU 20 Ca 0.21 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2hna h GLU 20 Cb 0.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2hna h GLU 20 CO -0.02 0.94 0.03 1.25 -0.73 0.00 0.00 179.01 180.48 2hna h HIS 21 N 1.23 0.29 -0.27 0.92 2.76 -1.44 -0.87 115.15 117.77 2hna h HIS 21 Ca 0.30 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.48 2hna h HIS 21 Cb 0.09 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 2hna h HIS 21 CO 0.01 0.43 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.98 2hna h LEU 22 N 0.07 -0.16 -0.40 0.26 3.38 -1.06 -1.63 115.31 115.76 2hna h LEU 22 Ca 0.05 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.15 2hna h LEU 22 Cb 0.29 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2hna h LEU 22 CO 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 178.44 178.54 2hna h ALA 23 N 1.24 0.42 0.07 1.53 0.00 -0.68 -0.91 119.26 120.94 2hna h ALA 23 Ca 0.13 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hna h ALA 23 Cb 0.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hna h ALA 23 CO -0.24 -0.34 -0.04 1.49 0.00 0.00 0.00 179.25 180.12 2hna h GLU 24 N 0.18 -0.10 -0.88 0.00 4.81 -0.69 -1.03 114.58 116.87 2hna h GLU 24 Ca 0.20 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 2hna h GLU 24 Cb 0.25 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2hna h GLU 24 CO -0.28 -0.04 0.57 0.87 -0.73 0.00 0.00 179.01 179.41 2hna h LYS 25 N -0.13 0.92 0.00 1.92 1.79 -1.10 -0.26 116.57 119.72 2hna h LYS 25 Ca -0.01 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 2hna h LYS 25 Cb 0.10 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2hna h LYS 25 CO 0.02 0.61 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.78 2hna h LEU 26 N 0.95 0.00 -0.17 2.94 3.38 -0.61 -0.56 115.31 121.25 2hna h LEU 26 Ca 0.39 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.18 2hna h LEU 26 Cb 0.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2hna h LEU 26 CO -0.15 0.15 -0.61 -0.33 0.09 0.00 0.00 178.44 177.59 2hna h GLU 27 N 0.00 0.71 0.00 1.13 5.08 0.23 -3.06 114.58 118.67 2hna h GLU 27 Ca -0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2hna h GLU 27 Cb 0.67 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2hna h GLU 27 CO 0.02 1.15 -0.07 0.93 -1.00 0.00 0.00 179.01 180.04 2hna h GLU 28 N 0.41 0.00 0.00 2.33 4.39 -0.90 -0.36 114.58 120.44 2hna h GLU 28 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2hna h GLU 28 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2hna h GLU 28 CO 0.13 0.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 2hna n ALA 29 N -2.30 1.54 0.00 3.43 0.00 -0.25 -4.86 120.51 118.07 2hna n ALA 29 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hna n ALA 29 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.26 1.60 0.00 0.00 0.00 -0.15 -5.08 105.19 101.29 2hna n GLY 30 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.79 0.00 -4.15 1.61 3.72 -1.15 -5.06 117.46 111.63 2hna n PHE 31 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 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 -0.64 0.97 0.03 4.37 -4.23 -1.26 -4.36 115.64 110.52 2hna s THR 32 Ca 0.00 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2hna s THR 32 Cb 0.00 -1.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 2hna s THR 32 CO 0.00 -0.30 0.03 0.42 -0.54 0.00 0.00 174.62 174.22 2hna s THR 33 N -1.45 0.14 -0.49 3.99 -4.23 -1.26 -0.28 115.64 112.06 2hna s THR 33 Ca -0.03 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 2hna s THR 33 Cb -0.09 -0.77 0.13 0.00 1.34 0.00 0.00 72.50 73.11 2hna s THR 33 CO 0.02 -0.63 0.24 -0.70 -0.54 0.00 0.00 174.62 173.00 2hna s GLU 34 N -2.40 1.73 -0.08 3.99 2.56 -0.37 -4.84 118.70 119.30 2hna s GLU 34 Ca -0.07 -2.39 -0.30 0.00 0.00 0.00 0.00 54.97 52.22 2hna s GLU 34 Cb -0.03 -3.00 -0.05 0.00 2.00 0.00 0.00 34.13 33.05 2hna s GLU 34 CO -0.04 -1.12 1.69 0.99 -0.56 0.00 0.00 175.26 176.22 2hna s THR 35 N -0.03 3.54 -0.08 -1.70 2.01 -1.26 -1.06 115.64 117.06 2hna s THR 35 Ca 0.17 0.64 -0.06 0.00 0.31 0.00 0.00 61.69 62.74 2hna s THR 35 Cb -0.25 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 68.84 2hna s THR 35 CO -0.00 -0.09 0.20 -0.76 -0.69 0.00 0.00 174.62 173.28 2hna s LEU 36 N 4.39 1.09 -0.13 4.42 1.43 -0.67 -4.97 118.68 124.25 2hna s LEU 36 Ca 0.75 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2hna s LEU 36 Cb -0.33 0.68 0.06 0.00 0.03 0.00 0.00 46.19 46.63 2hna s LEU 36 CO 0.31 -0.09 2.12 0.00 0.23 0.00 0.00 176.35 178.92 2hna n HIS 37 N 3.21 0.59 -4.01 0.29 1.44 -1.26 0.05 115.22 115.53 2hna n HIS 37 Ca -0.15 -1.40 -0.29 0.00 -2.01 0.00 0.00 57.72 53.87 2hna n HIS 37 Cb 0.57 -0.75 -0.01 0.00 0.12 0.00 0.00 29.99 29.92 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 1.13 -0.35 0.28 -1.39 0.00 -1.26 -4.15 105.19 99.45 2hna n GLY 38 Ca 0.15 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.78 0.00 -0.02 1.61 0.13 -1.92 -2.72 132.00 127.29 2hna h PRO 39 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2hna h PRO 39 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2hna h PRO 39 CO 0.68 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 2hna n LEU 40 N -3.18 2.20 0.00 1.56 4.77 -1.26 -4.98 117.00 116.10 2hna n LEU 40 Ca -0.00 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 2hna n LEU 40 Cb 0.29 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2hna n LEU 40 CO 0.27 0.58 0.00 -0.11 -1.33 0.00 0.00 177.39 176.81 2hna n LEU 41 N -0.75 0.00 -2.79 2.23 7.94 -1.03 -4.51 117.00 118.10 2hna n LEU 41 Ca 0.06 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.97 2hna n LEU 41 Cb 0.40 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.36 2hna n LEU 41 CO 0.01 0.00 0.43 -1.83 -1.11 0.00 0.00 177.39 174.89 2hna s GLU 42 N 0.00 0.26 0.14 1.96 -1.05 -1.26 -4.99 118.70 113.75 2hna s GLU 42 Ca 0.00 -0.13 -0.14 0.00 -0.15 0.00 0.00 54.97 54.55 2hna s GLU 42 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 2hna s GLU 42 CO 0.00 -0.36 1.61 0.22 0.95 0.00 0.00 175.26 177.68 2hna h ASP 43 N 5.30 0.72 -3.60 0.83 3.58 -1.97 -3.42 116.42 117.87 2hna h ASP 43 Ca -0.02 -0.27 -0.51 0.00 0.42 0.00 0.00 57.03 56.65 2hna h ASP 43 Cb 1.21 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 2hna h ASP 43 CO -0.06 0.81 0.02 -0.76 -2.88 0.00 0.00 179.24 176.37 2hna s LEU 44 N -9.51 4.05 0.00 2.28 1.43 -1.26 -5.09 118.68 110.58 2hna s LEU 44 Ca -0.13 1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.99 2hna s LEU 44 Cb 0.11 -3.91 0.14 0.00 0.03 0.00 0.00 46.19 42.56 2hna s LEU 44 CO 0.79 -0.20 0.46 -0.81 0.23 0.00 0.00 176.35 176.83 2hna n PRO 45 N -0.49 -2.25 0.00 1.29 -0.04 -1.26 -4.86 135.00 127.39 2hna n PRO 45 Ca 0.02 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 2hna n PRO 45 Cb 0.53 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 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 -3.92 2.00 -3.62 0.55 0.00 -1.26 -4.59 120.51 109.67 2hna n ALA 46 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2hna n ALA 46 Cb 0.26 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 0.86 -0.54 0.00 0.00 0.01 -1.26 -3.77 113.70 109.00 2hna s SER 47 Ca 0.00 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2hna s SER 47 Cb 0.00 0.84 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2hna s SER 47 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2hna n GLY 48 N 3.99 0.25 3.13 3.44 0.00 -1.14 -4.91 105.19 109.96 2hna n GLY 48 Ca -0.21 -1.55 -0.25 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 -2.02 1.34 -0.06 -0.61 -1.09 -1.20 -3.24 121.20 114.32 2hna s ILE 49 Ca 0.00 -0.69 0.05 0.00 -2.23 0.00 0.00 60.65 57.78 2hna s ILE 49 Cb 0.00 -1.14 -0.01 0.00 -1.58 0.00 0.00 42.46 39.73 2hna s ILE 49 CO 0.00 0.39 -0.22 0.26 -1.23 0.00 0.00 174.94 174.13 2hna s TRP 50 N -0.11 2.25 -0.02 3.97 0.52 -0.31 -2.75 118.94 122.50 2hna s TRP 50 Ca 0.00 -0.73 0.04 0.00 0.02 0.00 0.00 56.10 55.43 2hna s TRP 50 Cb -0.09 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 2hna s TRP 50 CO 0.01 -0.25 -0.16 -0.51 0.02 0.00 0.00 176.95 176.06 2hna s LEU 51 N 0.03 1.97 -0.06 2.99 1.43 -0.56 -1.71 118.68 122.76 2hna s LEU 51 Ca -0.07 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2hna s LEU 51 Cb -0.14 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 2hna s LEU 51 CO 0.04 0.17 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 2hna s VAL 52 N -0.19 1.72 -0.23 -1.59 1.01 -0.41 -0.75 120.40 119.96 2hna s VAL 52 Ca 0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2hna s VAL 52 Cb -0.08 -1.48 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2hna s VAL 52 CO 0.00 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 175.00 2hna s ILE 53 N 0.10 0.72 0.00 2.22 1.09 0.12 -1.06 121.20 124.39 2hna s ILE 53 Ca -0.08 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 2hna s ILE 53 Cb -0.14 -1.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.99 2hna s ILE 53 CO 0.04 -0.31 0.00 -1.20 -0.10 0.00 0.00 174.94 173.37 2hna n SER 54 N 4.96 0.00 -3.81 3.58 7.64 -1.07 -3.32 113.62 121.60 2hna n SER 54 Ca -0.08 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.64 2hna n SER 54 Cb 0.45 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 2hna n SER 54 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hna s SER 55 N 1.85 -0.03 0.00 6.43 0.01 -1.26 -2.89 113.70 117.81 2hna s SER 55 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2hna s SER 55 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2hna s SER 55 CO 0.00 -0.59 0.00 0.35 0.41 0.00 0.00 173.24 173.41 2hna n THR 56 N 0.60 0.00 0.23 1.44 -2.24 -1.26 -4.42 114.28 108.63 2hna n THR 56 Ca -0.19 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.68 2hna n THR 56 Cb 0.59 -0.28 0.56 0.00 -2.10 0.00 0.00 70.33 69.10 2hna n THR 56 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2hna h HIS 57 N 0.00 0.00 -2.51 4.78 6.17 -1.86 -3.44 115.15 118.29 2hna h HIS 57 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.13 2hna h HIS 57 Cb 0.38 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.30 2hna h HIS 57 CO 0.00 0.21 0.32 0.41 0.71 0.00 0.00 177.93 179.59 2hna n GLY 58 N -0.51 1.01 4.17 5.26 0.00 -1.26 -4.97 105.19 108.89 2hna n GLY 58 Ca -0.02 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.28 -1.62 -2.89 4.61 0.00 -1.26 -4.48 120.51 113.59 2hna n ALA 59 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2hna n ALA 59 Cb 0.43 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.74 2.89 4.39 0.00 0.00 -1.26 -4.55 105.19 104.92 2hna n GLY 60 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2hna n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hna n ASP 61 N 0.00 0.00 0.08 1.61 2.03 -1.26 -4.46 116.55 114.55 2hna n ASP 61 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2hna n ASP 61 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2hna n ASP 61 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2hna h ILE 62 N 0.00 0.64 -0.05 5.18 2.04 -1.96 -1.64 117.51 121.71 2hna h ILE 62 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2hna h ILE 62 Cb 0.00 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2hna h ILE 62 CO 0.00 0.00 0.04 -0.81 0.00 0.00 0.00 178.15 177.38 2hna n PRO 63 N -5.28 1.09 -2.47 2.37 -0.04 -1.26 -4.67 135.00 124.73 2hna n PRO 63 Ca -0.06 -0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 2hna n PRO 63 Cb 0.20 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.40 -4.06 0.00 3.54 2.03 -0.63 -2.26 116.55 116.57 2hna n ASP 64 Ca 0.03 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2hna n ASP 64 Cb 0.51 -3.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 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 -1.84 0.00 -3.67 1.67 5.15 -1.14 -4.76 115.26 110.67 2hna n ASN 65 Ca -0.15 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.71 2hna n ASN 65 Cb 0.61 -0.57 -0.12 0.00 -0.53 0.00 0.00 39.78 39.17 2hna n ASN 65 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hna s LEU 66 N 0.00 -0.33 -0.14 1.20 1.02 -0.96 -4.67 118.68 114.80 2hna s LEU 66 Ca 0.00 0.69 -0.15 0.00 0.02 0.00 0.00 54.13 54.69 2hna s LEU 66 Cb 0.00 0.88 -0.13 0.00 0.02 0.00 0.00 46.19 46.96 2hna s LEU 66 CO 0.00 -0.23 0.29 0.77 0.02 0.00 0.00 176.35 177.20 2hna h SER 67 N 8.16 0.00 0.02 2.29 4.64 -1.56 -3.40 113.55 123.70 2hna h SER 67 Ca -0.17 -0.44 -0.38 0.00 -0.47 0.00 0.00 61.79 60.33 2hna h SER 67 Cb 1.12 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.14 2hna h SER 67 CO 0.15 0.86 -2.39 -0.81 -0.87 0.00 0.00 176.83 173.76 2hna n PRO 68 N -4.65 0.67 0.24 4.77 -0.04 -1.26 -4.61 135.00 130.12 2hna n PRO 68 Ca -0.09 0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 2hna n PRO 68 Cb 0.31 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 2hna n PRO 68 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2hna h PHE 69 N 0.00 -0.62 -0.65 0.54 0.04 -1.81 -0.65 116.94 113.80 2hna h PHE 69 Ca -0.55 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.13 2hna h PHE 69 Cb 2.08 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 40.42 2hna h PHE 69 CO 0.02 -0.37 0.08 -0.92 -0.60 0.00 0.00 178.31 176.52 2hna h TYR 70 N -0.61 1.16 -0.04 -0.55 3.20 -1.85 0.94 116.97 119.23 2hna h TYR 70 Ca -0.04 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 2hna h TYR 70 Cb 0.50 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 2hna h TYR 70 CO -0.09 0.99 0.02 0.93 -1.64 0.00 0.00 178.16 178.37 2hna h GLU 71 N 1.00 0.05 -0.76 1.82 5.08 -1.78 -2.78 114.58 117.21 2hna h GLU 71 Ca 0.19 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2hna h GLU 71 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2hna h GLU 71 CO 0.02 0.11 0.33 0.00 -1.00 0.00 0.00 179.01 178.46 2hna h ALA 72 N 0.94 1.14 0.18 3.43 0.00 -0.82 -2.44 119.26 121.69 2hna h ALA 72 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2hna h ALA 72 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2hna h ALA 72 CO -0.00 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.59 2hna h LEU 73 N 1.10 -0.58 -0.96 0.00 3.38 -0.61 -1.88 115.31 115.77 2hna h LEU 73 Ca 0.26 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2hna h LEU 73 Cb 0.17 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2hna h LEU 73 CO -0.03 -0.31 0.00 1.56 0.09 0.00 0.00 178.44 179.76 2hna h GLN 74 N -0.44 0.00 -0.01 1.13 4.20 -1.45 0.18 115.11 118.73 2hna h GLN 74 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2hna h GLN 74 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2hna h GLN 74 CO -0.08 0.00 -0.00 1.49 -0.67 0.00 0.00 178.83 179.57 2hna h GLU 75 N 0.00 0.02 0.00 1.46 4.57 -0.89 -3.38 114.58 116.35 2hna h GLU 75 Ca 0.00 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2hna h GLU 75 Cb 0.61 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 2hna h GLU 75 CO 0.00 0.44 -2.20 0.00 -1.18 0.00 0.00 179.01 176.07 2hna n GLN 76 N -4.87 0.76 -3.54 1.92 10.64 -0.77 -5.03 117.38 116.49 2hna n GLN 76 Ca -0.08 -0.07 -0.17 0.00 -1.83 0.00 0.00 57.00 54.84 2hna n GLN 76 Cb 0.23 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.11 2hna n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hna n LYS 77 N -2.55 -0.69 -0.80 2.61 5.02 0.63 -4.87 118.16 117.51 2hna n LYS 77 Ca -0.22 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.80 2hna n LYS 77 Cb 0.93 -0.82 0.19 0.00 -0.02 0.00 0.00 35.03 35.31 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 -4.89 0.41 -1.47 1.97 0.04 -1.26 -4.87 135.00 124.93 2hna s PRO 78 Ca 0.13 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 2hna s PRO 78 Cb -0.07 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.81 2hna s PRO 78 CO 0.44 -2.89 2.41 -3.47 0.04 0.00 0.00 177.00 173.52 2hna n ASP 79 N -4.37 5.87 0.00 6.66 2.03 -1.26 -4.48 116.55 121.00 2hna n ASP 79 Ca 0.07 -2.83 0.02 0.00 0.52 0.00 0.00 54.79 52.57 2hna n ASP 79 Cb 0.54 -1.58 0.10 0.00 -0.72 0.00 0.00 41.12 39.46 2hna n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hna n LEU 80 N 4.62 0.00 0.00 -2.67 7.99 -1.22 -3.88 117.00 121.84 2hna n LEU 80 Ca 0.59 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.61 2hna n LEU 80 Cb 0.33 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.74 2hna n LEU 80 CO 0.86 0.00 0.49 -1.20 -1.51 0.00 0.00 177.39 176.03 2hna n SER 81 N -0.62 0.00 -0.52 -1.43 7.64 -1.25 -0.90 113.62 116.54 2hna n SER 81 Ca 0.03 0.25 0.05 0.00 1.01 0.00 0.00 58.87 60.20 2hna n SER 81 Cb 0.01 -0.31 0.12 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.31 2.19 -2.73 -0.43 0.00 -1.25 -4.93 120.51 112.05 2hna n ALA 82 Ca 0.02 -1.05 -0.17 0.00 0.00 0.00 0.00 53.44 52.23 2hna n ALA 82 Cb 0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.97 0.88 0.17 0.00 0.11 -0.08 -2.89 120.40 117.63 2hna s VAL 83 Ca 0.18 -1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2hna s VAL 83 Cb 0.10 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2hna s VAL 83 CO 0.13 -0.14 0.35 0.00 -3.33 0.00 0.00 175.10 172.11 2hna s ARG 84 N -1.28 3.50 0.16 1.54 1.70 -1.20 -4.20 118.95 119.17 2hna s ARG 84 Ca -0.02 -0.40 0.11 0.00 -0.47 0.00 0.00 55.73 54.95 2hna s ARG 84 Cb -0.08 -2.88 -0.04 0.00 -0.57 0.00 0.00 34.95 31.37 2hna s ARG 84 CO 0.01 0.45 -0.24 0.12 -1.08 0.00 0.00 175.30 174.56 2hna s PHE 85 N -1.80 2.33 -0.02 5.89 5.36 -0.46 -1.16 117.98 128.13 2hna s PHE 85 Ca 0.37 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.92 2hna s PHE 85 Cb -0.11 -1.21 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 2hna s PHE 85 CO 0.29 0.42 0.14 0.20 -1.46 0.00 0.00 175.22 174.81 2hna s GLY 86 N -2.38 -0.00 -0.05 13.12 0.00 -0.70 -1.55 107.32 115.76 2hna s GLY 86 Ca 0.18 0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.00 2hna s GLY 86 CO 0.08 -0.07 -0.20 0.00 0.00 0.00 0.00 173.10 172.92 2hna s ALA 87 N -0.92 1.76 -0.04 3.20 0.00 -1.26 -1.29 121.76 123.21 2hna s ALA 87 Ca -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2hna s ALA 87 Cb -0.06 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2hna s ALA 87 CO 0.01 0.34 -0.01 0.42 0.00 0.00 0.00 175.76 176.52 2hna s ILE 88 N -0.08 0.30 0.00 0.00 1.01 -0.23 -0.93 121.20 121.27 2hna s ILE 88 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2hna s ILE 88 Cb -0.12 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2hna s ILE 88 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2hna n GLY 89 N 4.31 2.62 3.60 6.18 0.00 0.11 -2.59 105.19 119.42 2hna n GLY 89 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.87 2.48 0.00 -0.61 2.08 -1.14 -4.31 119.36 115.99 2hna n ILE 90 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 2hna n ILE 90 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 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 1.21 0.04 0.38 7.39 0.00 -1.26 -4.74 105.19 108.21 2hna n GLY 91 Ca 0.10 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.32 2hna n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hna h SER 92 N 0.00 0.00 0.98 1.61 4.64 -1.91 0.28 113.55 119.16 2hna h SER 92 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2hna h SER 92 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2hna h SER 92 CO 0.00 0.00 -0.49 0.03 -0.87 0.00 0.00 176.83 175.50 2hna h ARG 93 N 0.00 0.00 0.00 4.77 2.47 -1.95 -3.41 114.38 116.26 2hna h ARG 93 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2hna h ARG 93 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2hna h ARG 93 CO -0.00 0.49 0.00 0.39 0.56 0.00 0.00 179.97 181.40 2hna n GLU 94 N -3.47 2.96 0.00 0.04 1.02 -0.90 -5.01 120.64 115.29 2hna n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hna n GLU 94 Cb 0.61 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.13 0.00 1.32 -0.32 9.36 -0.04 -4.71 117.16 122.65 2hna n TYR 95 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 2hna n TYR 95 Cb 0.00 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 38.79 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 -1.86 1.10 0.00 2.98 2.03 -0.42 -4.47 116.55 115.90 2hna n ASP 96 Ca 0.00 -2.03 0.02 0.00 0.52 0.00 0.00 54.79 53.30 2hna n ASP 96 Cb 0.33 -0.18 0.11 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.03 0.00 0.09 5.18 -2.24 -1.26 -0.98 114.28 115.10 2hna n THR 97 Ca 0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 2hna n THR 97 Cb 0.19 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 67.85 2hna n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2hna h PHE 98 N 0.00 0.96 0.00 4.78 3.57 -1.97 -3.42 116.94 120.86 2hna h PHE 98 Ca 0.00 -0.60 0.00 0.00 3.53 0.00 0.00 57.97 60.90 2hna h PHE 98 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2hna h PHE 98 CO 0.00 1.44 -0.15 0.00 -2.23 0.00 0.00 178.31 177.36 2hna n GLY 100 N 0.00 3.97 0.34 0.00 0.00 -0.15 -4.70 105.19 104.65 2hna n GLY 100 Ca 0.00 -1.40 0.18 0.00 0.00 0.00 0.00 46.02 44.81 2hna n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hna h ALA 101 N 4.88 1.47 0.00 4.61 0.00 -1.96 -1.09 119.26 127.17 2hna h ALA 101 Ca 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2hna h ALA 101 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hna h ALA 101 CO 1.56 -0.24 0.00 0.44 0.00 0.00 0.00 179.25 181.01 2hna n ILE 102 N -3.35 1.57 -0.33 0.00 -0.00 -1.26 -2.46 119.36 113.52 2hna n ILE 102 Ca -0.00 0.55 0.36 0.00 -0.00 0.00 0.00 62.75 63.66 2hna n ILE 102 Cb 0.28 -1.53 0.70 0.00 -0.00 0.00 0.00 39.64 39.09 2hna n ILE 102 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2hna h ASP 103 N 0.00 0.00 -0.10 7.28 3.58 -1.51 -0.59 116.42 125.07 2hna h ASP 103 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 2hna h ASP 103 Cb 0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2hna h ASP 103 CO 0.00 0.00 0.19 0.11 -2.88 0.00 0.00 179.24 176.66 2hna h LYS 104 N 0.00 0.00 0.86 0.28 1.57 -1.76 -1.61 116.57 115.92 2hna h LYS 104 Ca 0.58 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.32 2hna h LYS 104 Cb 2.61 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.93 2hna h LYS 104 CO -0.01 0.00 -0.41 1.25 -0.57 0.00 0.00 179.45 179.71 2hna h LEU 105 N 0.00 -0.98 -1.06 2.94 7.12 -1.39 -0.40 115.31 121.54 2hna h LEU 105 Ca 0.05 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.12 2hna h LEU 105 Cb 0.42 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.75 2hna h LEU 105 CO -0.00 -0.66 0.63 -0.33 -0.13 0.00 0.00 178.44 177.95 2hna h GLU 106 N -1.23 1.20 -0.24 1.25 3.07 -1.64 -1.83 114.58 115.15 2hna h GLU 106 Ca -0.12 -0.07 0.02 0.00 -0.50 0.00 0.00 59.36 58.69 2hna h GLU 106 Cb 0.90 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2hna h GLU 106 CO 0.19 0.79 0.10 0.00 -1.40 0.00 0.00 179.01 178.70 2hna h ALA 107 N 1.43 0.28 -0.59 3.43 0.00 -1.20 -0.73 119.26 121.89 2hna h ALA 107 Ca 0.38 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 2hna h ALA 107 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2hna h ALA 107 CO -0.11 -0.31 0.10 0.93 0.00 0.00 0.00 179.25 179.87 2hna h GLU 108 N 0.23 0.94 -0.29 0.00 4.39 -0.65 -0.60 114.58 118.59 2hna h GLU 108 Ca 0.10 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2hna h GLU 108 Cb 0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2hna h GLU 108 CO -0.09 0.87 0.17 -0.07 -1.16 0.00 0.00 179.01 178.73 2hna h LEU 109 N 0.89 0.35 -0.78 1.33 3.38 -0.82 0.61 115.31 120.28 2hna h LEU 109 Ca 0.18 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2hna h LEU 109 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hna h LEU 109 CO 0.01 0.31 -0.00 0.11 0.09 0.00 0.00 178.44 178.95 2hna h LYS 110 N 0.37 0.92 -0.29 1.13 1.57 -0.90 -2.23 116.57 117.14 2hna h LYS 110 Ca 0.10 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2hna h LYS 110 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2hna h LYS 110 CO -0.02 0.92 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.71 2hna h ASN 111 N 0.85 0.46 0.48 0.86 -1.24 -0.84 -3.10 115.58 113.05 2hna h ASN 111 Ca 0.16 -0.11 -0.13 0.00 0.71 0.00 0.00 56.30 56.93 2hna h ASN 111 Cb 0.51 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 2hna h ASN 111 CO 0.02 0.60 -0.58 0.28 -1.29 0.00 0.00 177.43 176.46 2hna h SER 112 N 0.45 0.12 0.00 1.15 0.02 -0.26 -3.47 113.55 111.56 2hna h SER 112 Ca 0.09 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2hna h SER 112 Cb 0.44 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2hna h SER 112 CO 0.02 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 2hna n GLY 113 N 0.18 1.23 3.62 -3.77 0.00 -1.10 -3.40 105.19 101.96 2hna n GLY 113 Ca -0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 0.60 0.01 4.61 0.00 -1.12 -3.85 121.76 122.01 2hna s ALA 114 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2hna s ALA 114 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2hna s ALA 114 CO 0.00 -3.22 -0.10 -1.59 0.00 0.00 0.00 175.76 170.85 2hna s LYS 115 N -5.01 0.76 -0.40 0.00 -2.85 -1.26 -4.27 119.74 106.71 2hna s LYS 115 Ca 0.67 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.97 54.91 2hna s LYS 115 Cb -0.17 -0.72 0.01 0.00 -2.06 0.00 0.00 37.83 34.89 2hna s LYS 115 CO 0.58 0.19 1.36 -1.14 0.10 0.00 0.00 175.35 176.44 2hna s GLN 116 N -0.50 3.66 0.55 1.78 0.74 -1.26 -1.36 119.66 123.27 2hna s GLN 116 Ca 0.02 0.96 -0.18 0.00 0.05 0.00 0.00 55.36 56.21 2hna s GLN 116 Cb -0.05 -3.98 -0.06 0.00 1.10 0.00 0.00 33.01 30.02 2hna s GLN 116 CO 0.00 -1.45 1.05 0.99 -0.55 0.00 0.00 175.29 175.33 2hna s THR 117 N 5.09 3.81 0.00 -0.34 2.01 -0.60 -4.75 115.64 120.85 2hna s THR 117 Ca 0.59 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.55 2hna s THR 117 Cb -0.13 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2hna s THR 117 CO 0.30 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 2hna n GLY 118 N -0.68 1.63 2.81 4.40 0.00 -1.26 -4.79 105.19 107.30 2hna n GLY 118 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2hna n GLY 118 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hna n GLU 119 N 0.00 0.77 -2.87 1.61 0.28 -1.26 -5.14 120.64 114.03 2hna n GLU 119 Ca 0.00 -1.54 -0.41 0.00 -0.16 0.00 0.00 57.16 55.05 2hna n GLU 119 Cb 0.00 1.94 -0.04 0.00 1.43 0.00 0.00 31.44 34.78 2hna n GLU 119 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2hna s THR 120 N -2.30 4.89 0.45 3.84 2.01 -1.26 -4.60 115.64 118.66 2hna s THR 120 Ca 0.13 1.69 -0.20 0.00 0.31 0.00 0.00 61.69 63.62 2hna s THR 120 Cb -0.03 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 2hna s THR 120 CO 0.08 0.06 0.96 -0.22 -0.69 0.00 0.00 174.62 174.81 2hna s LEU 121 N 1.91 3.86 0.05 4.42 0.20 -0.11 -4.95 118.68 124.05 2hna s LEU 121 Ca 0.40 1.68 0.05 0.00 0.69 0.00 0.00 54.13 56.95 2hna s LEU 121 Cb -0.17 -4.53 -0.02 0.00 -0.43 0.00 0.00 46.19 41.03 2hna s LEU 121 CO 0.15 -0.44 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.08 2hna s LYS 122 N -3.39 0.93 0.22 1.98 -0.14 -1.26 -0.72 119.74 117.36 2hna s LYS 122 Ca 0.62 -0.81 -0.00 0.00 -1.36 0.00 0.00 55.97 54.41 2hna s LYS 122 Cb -0.10 -0.95 -0.04 0.00 -1.68 0.00 0.00 37.83 35.06 2hna s LYS 122 CO 0.18 0.23 0.12 0.96 -0.76 0.00 0.00 175.35 176.08 2hna s ILE 123 N -0.94 0.13 0.00 2.17 -5.25 -1.26 -0.76 121.20 115.28 2hna s ILE 123 Ca 0.01 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.67 2hna s ILE 123 Cb -0.08 -2.53 0.00 0.00 2.95 0.00 0.00 42.46 42.79 2hna s ILE 123 CO 0.02 0.00 0.00 -0.46 -1.79 0.00 0.00 174.94 172.71 2hna n ASN 124 N -0.34 0.00 0.00 4.36 0.23 -1.26 -4.74 115.26 113.51 2hna n ASN 124 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 2hna n ASN 124 Cb 0.66 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 2hna n ASN 124 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2hna n ILE 125 N 1.03 0.03 -0.07 1.53 -0.00 -1.26 -4.23 119.36 116.39 2hna n ILE 125 Ca 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 62.75 62.61 2hna n ILE 125 Cb 0.00 1.39 -0.03 0.00 -0.00 0.00 0.00 39.64 41.00 2hna n ILE 125 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2hna h LEU 126 N 0.00 0.31 -1.82 7.28 7.12 -1.99 -3.33 115.31 122.88 2hna h LEU 126 Ca 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.93 2hna h LEU 126 Cb 0.76 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 2hna h LEU 126 CO 0.00 0.30 -0.41 -0.67 -0.13 0.00 0.00 178.44 177.52 2hna n ASP 127 N -4.86 0.00 -3.87 1.25 2.03 -1.26 -5.01 116.55 104.82 2hna n ASP 127 Ca -0.03 -1.83 -0.31 0.00 0.52 0.00 0.00 54.79 53.15 2hna n ASP 127 Cb 0.07 -0.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 2hna n ASP 127 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2hna n HIS 128 N 0.00 -1.70 -0.68 -0.67 8.25 -1.25 -4.99 115.22 114.18 2hna n HIS 128 Ca 0.00 0.52 -0.27 0.00 -0.26 0.00 0.00 57.72 57.71 2hna n HIS 128 Cb 0.67 -3.44 0.24 0.00 1.12 0.00 0.00 29.99 28.57 2hna n HIS 128 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hna n ASP 129 N -2.74 -2.79 0.00 0.41 8.00 -1.26 -4.38 116.55 113.79 2hna n ASP 129 Ca -0.19 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2hna n ASP 129 Cb 0.63 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2hna n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2hna n ILE 130 N -5.01 0.00 0.13 0.53 5.41 -1.26 -0.58 119.36 118.59 2hna n ILE 130 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.87 2hna n ILE 130 Cb 0.53 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.70 2hna n ILE 130 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2hna h PRO 131 N 0.00 0.09 0.00 0.38 0.13 -1.88 -3.47 132.00 127.25 2hna h PRO 131 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2hna h PRO 131 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hna h PRO 131 CO 0.00 0.56 0.00 -1.91 -0.23 0.00 0.00 178.00 176.42 2hna n GLU 132 N -3.96 0.00 -3.68 0.86 2.13 0.25 -4.94 120.64 111.30 2hna n GLU 132 Ca -0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.66 2hna n GLU 132 Cb 0.52 -0.80 -0.14 0.00 0.27 0.00 0.00 31.44 31.28 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 -1.92 0.31 0.86 4.31 2.15 -1.26 -4.84 116.67 116.28 2hna s ASP 133 Ca 0.00 0.50 -0.12 0.00 0.43 0.00 0.00 52.55 53.37 2hna s ASP 133 Cb 0.00 0.52 0.11 0.00 -0.30 0.00 0.00 42.92 43.24 2hna s ASP 133 CO 0.00 -0.22 1.10 -2.16 -0.17 0.00 0.00 175.17 173.72 2hna s PRO 134 N 2.11 1.57 -0.34 4.34 0.04 -1.26 -4.64 135.00 136.83 2hna s PRO 134 Ca -0.01 0.64 0.16 0.00 0.04 0.00 0.00 61.00 61.84 2hna s PRO 134 Cb -0.12 -1.86 0.46 0.00 0.04 0.00 0.00 34.50 33.02 2hna s PRO 134 CO -0.08 -1.98 0.98 0.00 0.04 0.00 0.00 177.00 175.97 2hna n ALA 135 N -3.68 3.65 0.31 8.56 0.00 0.06 -4.94 120.51 124.47 2hna n ALA 135 Ca 0.07 -3.31 0.20 0.00 0.00 0.00 0.00 53.44 50.40 2hna n ALA 135 Cb 0.56 -0.87 1.06 0.00 0.00 0.00 0.00 19.45 20.21 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 2.91 0.00 0.00 0.00 4.11 -1.96 -1.46 114.58 118.18 2hna h GLU 136 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2hna h GLU 136 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2hna h GLU 136 CO 0.54 0.00 -0.04 0.93 0.07 0.00 0.00 179.01 180.51 2hna h GLU 137 N 0.00 0.00 -0.39 1.06 5.08 -1.97 -2.35 114.58 116.01 2hna h GLU 137 Ca 0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2hna h GLU 137 Cb 0.15 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 2hna h GLU 137 CO -0.00 0.04 -0.12 2.35 -1.00 0.00 0.00 179.01 180.29 2hna h TRP 138 N 0.00 -0.26 0.19 4.33 7.01 -1.69 -1.05 115.95 124.48 2hna h TRP 138 Ca -0.00 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2hna h TRP 138 Cb 0.13 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2hna h TRP 138 CO 0.00 -0.19 -0.33 1.25 -2.79 0.00 0.00 178.44 176.38 2hna h LEU 139 N -0.03 -0.95 -0.71 0.65 5.85 -1.61 0.19 115.31 118.71 2hna h LEU 139 Ca 0.19 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2hna h LEU 139 Cb 0.31 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2hna h LEU 139 CO -0.41 -0.44 0.40 1.23 -0.34 0.00 0.00 178.44 178.88 2hna h GLY 140 N -0.61 1.04 0.67 3.75 0.00 -1.60 -0.41 103.07 105.91 2hna h GLY 140 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2hna h GLY 140 CO -0.15 0.44 -0.32 1.76 0.00 0.00 0.00 176.54 178.27 2hna h SER 141 N 0.97 -0.76 -0.53 0.19 0.02 -0.85 -1.68 113.55 110.91 2hna h SER 141 Ca 0.25 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2hna h SER 141 Cb 0.01 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.68 2hna h SER 141 CO -0.04 -0.54 0.16 -0.25 -1.14 0.00 0.00 176.83 175.01 2hna h TRP 142 N -0.91 0.26 0.58 3.45 7.01 -0.57 0.17 115.95 125.95 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 0.69 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.71 2hna h TRP 142 CO 0.08 0.05 -0.29 0.28 -2.79 0.00 0.00 178.44 175.76 2hna h VAL 143 N 0.31 0.41 0.00 2.65 2.07 -1.11 -0.11 116.25 120.47 2hna h VAL 143 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2hna h VAL 143 Cb 0.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2hna h VAL 143 CO -0.30 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 176.74 2hna h ASN 144 N -0.80 0.00 0.02 0.57 7.08 -0.85 -0.84 115.58 120.77 2hna h ASN 144 Ca -0.08 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.06 2hna h ASN 144 Cb 0.62 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.87 2hna h ASN 144 CO 0.12 0.00 -0.35 -0.07 -2.08 0.00 0.00 177.43 175.06 2hna h LEU 145 N 0.00 0.26 -0.55 6.14 4.07 -0.71 -3.35 115.31 121.17 2hna h LEU 145 Ca 0.00 -0.84 -0.15 0.00 0.08 0.00 0.00 57.88 56.96 2hna h LEU 145 Cb 0.45 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2hna h LEU 145 CO 0.00 1.08 -0.72 0.17 -1.08 0.00 0.00 178.44 177.89 2hna h LEU 146 N -0.52 0.07 0.00 1.67 8.10 -0.69 -3.51 115.31 120.43 2hna h LEU 146 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.89 2hna h LEU 146 Cb 1.15 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.35 2hna h LEU 146 CO 0.07 0.76 0.00 0.29 -4.11 0.00 0.00 178.44 175.45