#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9a n ALA 2 N 0.00 0.00 -2.60 3.04 0.00 -1.26 -4.73 120.51 114.96 1x9a n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1x9a n ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1x9a n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x9a s LEU 3 N 0.00 4.63 -0.20 0.00 2.96 -1.26 0.07 118.68 124.88 1x9a s LEU 3 Ca 0.00 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1x9a s LEU 3 Cb 0.00 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1x9a s LEU 3 CO 0.00 -0.30 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.87 1x9a s VAL 4 N 1.68 2.02 -0.12 1.68 1.01 0.56 -4.94 120.40 122.29 1x9a s VAL 4 Ca 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1x9a s VAL 4 Cb -0.18 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1x9a s VAL 4 CO 0.09 0.37 -0.03 -0.76 0.00 0.00 0.00 175.10 174.77 1x9a s LEU 5 N 1.27 3.33 -0.15 3.92 1.43 -1.26 -0.71 118.68 126.51 1x9a s LEU 5 Ca 0.01 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1x9a s LEU 5 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1x9a s LEU 5 CO -0.11 0.27 -0.08 -0.69 0.23 0.00 0.00 176.35 175.98 1x9a s VAL 6 N -0.27 1.19 -0.49 -1.59 1.01 0.73 -4.91 120.40 116.07 1x9a s VAL 6 Ca 0.05 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1x9a s VAL 6 Cb -0.13 -1.27 0.35 0.00 0.00 0.00 0.00 36.38 35.34 1x9a s VAL 6 CO 0.02 0.26 0.87 2.29 0.00 0.00 0.00 175.10 178.54 1x9a n LYS 7 N 4.87 2.31 -3.60 2.72 2.85 -1.25 -0.98 118.16 125.08 1x9a n LYS 7 Ca -0.13 -4.24 -0.12 0.00 -1.05 0.00 0.00 58.31 52.77 1x9a n LYS 7 Cb 0.49 -2.01 -0.06 0.00 -0.65 0.00 0.00 35.03 32.80 1x9a n LYS 7 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1x9a s TYR 8 N -3.06 -0.52 0.00 5.58 2.02 -1.26 -4.34 117.35 115.77 1x9a s TYR 8 Ca 0.45 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 58.24 1x9a s TYR 8 Cb 0.31 0.39 0.00 0.00 -0.40 0.00 0.00 41.96 42.26 1x9a s TYR 8 CO -0.11 -0.36 0.00 0.41 -1.57 0.00 0.00 175.55 173.92 1x9a n GLY 9 N 1.56 2.74 0.00 0.71 0.00 -1.07 -3.87 105.19 105.26 1x9a n GLY 9 Ca -0.13 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.06 1x9a n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x9a n THR 10 N 0.00 1.13 0.62 2.61 -2.24 -1.26 -0.88 114.28 114.26 1x9a n THR 10 Ca 0.00 0.28 0.10 0.00 -2.27 0.00 0.00 64.05 62.16 1x9a n THR 10 Cb 0.00 -1.08 0.42 0.00 -2.10 0.00 0.00 70.33 67.57 1x9a n THR 10 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x9a n ASP 11 N -1.47 0.16 -3.99 3.42 5.75 -1.26 -4.65 116.55 114.52 1x9a n ASP 11 Ca 0.03 0.53 -0.25 0.00 -0.01 0.00 0.00 54.79 55.09 1x9a n ASP 11 Cb 0.13 -0.57 -0.17 0.00 -1.03 0.00 0.00 41.12 39.48 1x9a n ASP 11 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1x9a s HIS 12 N -3.06 1.43 -0.15 2.11 3.76 -0.06 -5.03 115.29 114.29 1x9a s HIS 12 Ca 0.09 -0.57 0.16 0.00 -0.15 0.00 0.00 55.06 54.59 1x9a s HIS 12 Cb 0.12 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.70 1x9a s HIS 12 CO 0.37 -0.33 1.16 -1.00 -0.85 0.00 0.00 174.74 174.10 1x9a h PRO 13 N 7.27 0.00 0.00 8.40 0.13 -1.82 -3.35 132.00 142.62 1x9a h PRO 13 Ca -0.31 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1x9a h PRO 13 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1x9a h PRO 13 CO 0.46 0.38 -0.49 -0.24 -0.23 0.00 0.00 178.00 177.88 1x9a h VAL 14 N 0.00 1.29 -0.39 1.56 3.04 -1.96 -2.15 116.25 117.64 1x9a h VAL 14 Ca -0.07 -1.73 0.04 0.00 -1.01 0.00 0.00 66.70 63.93 1x9a h VAL 14 Cb 1.45 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 32.65 1x9a h VAL 14 CO 0.05 0.48 0.26 -0.33 -1.01 0.00 0.00 177.57 177.03 1x9a h GLU 15 N 0.00 0.35 0.17 4.17 3.07 -1.91 -2.55 114.58 117.88 1x9a h GLU 15 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1x9a h GLU 15 Cb 0.91 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.71 1x9a h GLU 15 CO 0.06 0.23 -0.24 -0.22 -1.40 0.00 0.00 179.01 177.45 1x9a h LYS 16 N 0.36 -0.45 0.00 2.33 1.63 -1.59 -0.92 116.57 117.93 1x9a h LYS 16 Ca 0.16 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1x9a h LYS 16 Cb 0.21 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1x9a h LYS 16 CO -0.04 -0.30 0.00 1.37 -3.45 0.00 0.00 179.45 177.03 1x9a h LEU 17 N -0.47 0.00 -0.58 5.20 -0.00 -1.65 -1.97 115.31 115.84 1x9a h LEU 17 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.75 1x9a h LEU 17 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1x9a h LEU 17 CO -0.10 0.00 -0.47 0.11 -0.00 0.00 0.00 178.44 177.98 1x9a h LYS 18 N 0.00 0.59 -0.14 0.17 1.57 -1.03 0.22 116.57 117.94 1x9a h LYS 18 Ca 0.00 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 1x9a h LYS 18 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1x9a h LYS 18 CO 0.00 0.93 -0.55 0.82 -0.57 0.00 0.00 179.45 180.08 1x9a h ILE 19 N 0.47 1.34 -0.56 1.86 2.04 -0.96 -3.03 117.51 118.67 1x9a h ILE 19 Ca 0.03 -1.82 -0.10 0.00 1.00 0.00 0.00 64.86 63.96 1x9a h ILE 19 Cb 1.00 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1x9a h ILE 19 CO 0.09 0.55 -0.06 0.03 0.00 0.00 0.00 178.15 178.77 1x9a h ARG 20 N 0.32 1.02 -0.02 2.37 3.08 -1.14 -3.09 114.38 116.92 1x9a h ARG 20 Ca 0.01 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1x9a h ARG 20 Cb 1.06 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1x9a h ARG 20 CO 0.10 1.03 0.00 0.45 -1.07 0.00 0.00 179.97 180.48 1x9a n SER 21 N -4.16 0.66 -4.76 7.04 2.88 0.05 -4.84 113.62 110.48 1x9a n SER 21 Ca 0.02 -1.29 -0.39 0.00 -1.33 0.00 0.00 58.87 55.88 1x9a n SER 21 Cb 0.37 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 1x9a n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x9a s ALA 22 N -1.98 3.35 0.45 -1.46 0.00 -1.15 -5.07 121.76 115.90 1x9a s ALA 22 Ca 0.40 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1x9a s ALA 22 Cb 0.20 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1x9a s ALA 22 CO 0.33 0.23 0.38 0.15 0.00 0.00 0.00 175.76 176.85 1x9a s LYS 23 N -1.30 2.44 0.62 0.00 1.02 -1.26 -4.12 119.74 117.13 1x9a s LYS 23 Ca 0.41 -1.67 0.34 0.00 0.02 0.00 0.00 55.97 55.07 1x9a s LYS 23 Cb -0.24 -2.29 1.92 0.00 -0.52 0.00 0.00 37.83 36.70 1x9a s LYS 23 CO 0.29 -0.30 2.20 0.00 -0.92 0.00 0.00 175.35 176.63 1x9a h ALA 24 N 0.98 1.45 -0.37 5.17 0.00 -1.88 0.89 119.26 125.50 1x9a h ALA 24 Ca -0.40 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1x9a h ALA 24 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1x9a h ALA 24 CO 0.58 -0.13 -0.02 0.93 0.00 0.00 0.00 179.25 180.60 1x9a h GLU 25 N 0.00 0.60 -6.88 0.00 5.08 -1.94 -3.41 114.58 108.03 1x9a h GLU 25 Ca 0.03 -0.14 -0.48 0.00 -1.00 0.00 0.00 59.36 57.77 1x9a h GLU 25 Cb 0.23 -0.08 0.04 0.00 0.50 0.00 0.00 28.75 29.44 1x9a h GLU 25 CO -0.00 0.64 0.04 -0.51 -1.00 0.00 0.00 179.01 178.18 1x9a s ASP 26 N -6.71 5.97 -0.07 1.42 1.01 0.31 -4.58 116.67 114.02 1x9a s ASP 26 Ca -0.08 0.65 0.05 0.00 0.71 0.00 0.00 52.55 53.88 1x9a s ASP 26 Cb 0.15 -1.89 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 1x9a s ASP 26 CO 0.78 -0.71 -0.24 -0.54 0.21 0.00 0.00 175.17 174.67 1x9a s LYS 27 N -4.72 2.65 -0.23 8.23 3.01 0.11 -2.31 119.74 126.49 1x9a s LYS 27 Ca 0.49 -0.86 -0.04 0.00 -1.01 0.00 0.00 55.97 54.54 1x9a s LYS 27 Cb -0.10 -2.14 -0.01 0.00 -1.01 0.00 0.00 37.83 34.57 1x9a s LYS 27 CO 0.42 0.29 -0.03 0.42 0.51 0.00 0.00 175.35 176.96 1x9a s ILE 28 N 0.06 3.43 -0.25 2.17 1.01 0.81 -0.32 121.20 128.10 1x9a s ILE 28 Ca -0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1x9a s ILE 28 Cb -0.15 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1x9a s ILE 28 CO 0.05 0.38 0.08 -0.69 0.00 0.00 0.00 174.94 174.77 1x9a s VAL 29 N 1.48 4.46 -0.34 2.92 1.01 0.12 -0.71 120.40 129.33 1x9a s VAL 29 Ca 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1x9a s VAL 29 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1x9a s VAL 29 CO -0.03 0.34 0.31 -0.76 0.00 0.00 0.00 175.10 174.96 1x9a s LEU 30 N 1.56 4.44 0.01 3.92 2.01 -0.05 -0.19 118.68 130.37 1x9a s LEU 30 Ca 0.06 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 53.94 1x9a s LEU 30 Cb -0.15 -2.26 -0.01 0.00 0.01 0.00 0.00 46.19 43.78 1x9a s LEU 30 CO 0.04 -0.28 -0.05 -0.51 1.01 0.00 0.00 176.35 176.56 1x9a s ILE 31 N 1.90 0.41 0.00 -0.59 1.10 -0.15 -1.13 121.20 122.74 1x9a s ILE 31 Ca 0.10 -0.40 0.00 0.00 -0.51 0.00 0.00 60.65 59.84 1x9a s ILE 31 Cb -0.17 -0.38 0.00 0.00 0.15 0.00 0.00 42.46 42.06 1x9a s ILE 31 CO 0.11 -0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.94 1x9a n GLN 32 N 2.63 0.00 0.18 3.50 6.02 -1.26 -0.86 117.38 127.59 1x9a n GLN 32 Ca -0.15 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.98 1x9a n GLN 32 Cb 0.57 0.00 0.55 0.00 1.02 0.00 0.00 30.24 32.39 1x9a n GLN 32 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1x9a h ASN 33 N 0.00 0.00 0.65 1.08 4.21 -1.89 -2.80 115.58 116.83 1x9a h ASN 33 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1x9a h ASN 33 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1x9a h ASN 33 CO 0.00 0.00 0.00 1.23 -1.29 0.00 0.00 177.43 177.37 1x9a h GLY 34 N 2.23 0.00 2.00 2.83 0.00 -1.11 -2.69 103.07 106.32 1x9a h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x9a h GLY 34 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.15 1x9a h VAL 35 N 0.00 0.00 0.00 4.60 -1.51 -1.69 -0.46 116.25 117.19 1x9a h VAL 35 Ca 0.00 -0.17 -0.04 0.00 -1.23 0.00 0.00 66.70 65.27 1x9a h VAL 35 Cb 0.32 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1x9a h VAL 35 CO 0.00 0.00 -0.17 -0.26 -1.23 0.00 0.00 177.57 175.91 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.74 -1.94 116.94 118.49 1x9a h PHE 36 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1x9a h PHE 36 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1x9a h PHE 36 CO 0.00 0.17 -0.23 -1.49 -0.60 0.00 0.00 178.31 176.16 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.29 -2.38 115.95 115.78 1x9a h TRP 37 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x9a h TRP 37 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1x9a h TRP 37 CO 0.00 0.23 0.00 0.00 -3.56 0.00 0.00 178.44 175.11 1x9a n ALA 38 N -2.19 1.76 -0.42 1.49 0.00 -0.73 -1.75 120.51 118.68 1x9a n ALA 38 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1x9a n ALA 38 Cb 0.52 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.86 1x9a n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x9a n LEU 39 N -1.81 3.46 -4.47 0.00 4.77 -0.90 -0.46 117.00 117.59 1x9a n LEU 39 Ca 0.03 -2.27 -0.27 0.00 -0.03 0.00 0.00 56.01 53.47 1x9a n LEU 39 Cb 0.22 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1x9a n LEU 39 CO 0.18 0.75 -0.50 -0.70 -1.33 0.00 0.00 177.39 175.80 1x9a s GLU 40 N -1.49 1.68 0.00 3.23 2.12 -0.72 -4.85 118.70 118.67 1x9a s GLU 40 Ca 0.33 -1.42 -0.02 0.00 0.36 0.00 0.00 54.97 54.21 1x9a s GLU 40 Cb 0.21 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 1x9a s GLU 40 CO 0.17 0.42 0.85 1.49 -0.54 0.00 0.00 175.26 177.65 1x9a h GLU 41 N 3.19 -0.08 -4.05 4.30 4.22 -1.93 -3.44 114.58 116.78 1x9a h GLU 41 Ca -0.47 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1x9a h GLU 41 Cb 1.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1x9a h GLU 41 CO 0.49 -0.06 -0.35 1.47 -2.18 0.00 0.00 179.01 178.38 1x9a n LEU 42 N -2.27 -2.32 -4.49 1.64 -0.00 -1.26 -4.82 117.00 103.48 1x9a n LEU 42 Ca -0.01 1.72 -0.43 0.00 -0.00 0.00 0.00 56.01 57.29 1x9a n LEU 42 Cb 0.03 -2.13 -0.03 0.00 -0.00 0.00 0.00 43.42 41.30 1x9a n LEU 42 CO 0.03 -1.72 1.16 -1.61 -0.00 0.00 0.00 177.39 175.24 1x9a s GLU 43 N -0.21 3.60 -0.08 1.47 2.02 -1.26 -4.98 118.70 119.27 1x9a s GLU 43 Ca 0.00 -1.56 0.04 0.00 0.02 0.00 0.00 54.97 53.47 1x9a s GLU 43 Cb 0.00 -5.07 -0.01 0.00 0.10 0.00 0.00 34.13 29.15 1x9a s GLU 43 CO 0.00 -1.92 -0.20 -0.08 0.02 0.00 0.00 175.26 173.08 1x9a s THR 44 N 3.45 2.51 -1.80 3.63 -1.32 -1.26 -4.88 115.64 115.96 1x9a s THR 44 Ca 0.37 -0.89 0.30 0.00 -1.21 0.00 0.00 61.69 60.26 1x9a s THR 44 Cb -0.03 -1.97 0.64 0.00 -1.51 0.00 0.00 72.50 69.62 1x9a s THR 44 CO -0.10 0.56 2.02 -0.81 -2.21 0.00 0.00 174.62 174.08 1x9a n PRO 45 N 3.06 0.83 -1.93 7.08 -0.04 -1.26 -4.88 135.00 137.86 1x9a n PRO 45 Ca -0.18 -0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 62.81 1x9a n PRO 45 Cb 0.52 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 1x9a n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9a s ALA 46 N -2.29 2.13 -0.55 0.55 0.00 -1.24 -3.13 121.76 117.23 1x9a s ALA 46 Ca 0.36 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 1x9a s ALA 46 Cb 0.21 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.68 1x9a s ALA 46 CO 0.42 -2.63 0.66 0.15 0.00 0.00 0.00 175.76 174.37 1x9a s LYS 47 N -5.96 3.08 -0.29 0.00 -0.14 -0.98 -4.88 119.74 110.57 1x9a s LYS 47 Ca 0.77 -1.13 -0.13 0.00 -1.36 0.00 0.00 55.97 54.12 1x9a s LYS 47 Cb -0.02 -4.19 -0.04 0.00 -1.68 0.00 0.00 37.83 31.90 1x9a s LYS 47 CO 0.54 -1.38 0.26 0.54 -0.76 0.00 0.00 175.35 174.55 1x9a s VAL 48 N 2.63 5.26 -0.01 3.17 0.11 -1.26 -0.13 120.40 130.16 1x9a s VAL 48 Ca 0.13 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1x9a s VAL 48 Cb -0.22 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1x9a s VAL 48 CO 0.09 0.16 -0.02 -0.31 -3.33 0.00 0.00 175.10 171.69 1x9a s TYR 49 N 1.87 0.28 0.09 1.54 2.02 0.11 -4.26 117.35 118.99 1x9a s TYR 49 Ca 0.10 -0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 1x9a s TYR 49 Cb -0.16 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 1x9a s TYR 49 CO 0.11 -0.04 -0.06 0.00 -1.57 0.00 0.00 175.55 173.99 1x9a s ALA 50 N 0.26 3.10 -0.17 3.71 0.00 -1.04 -0.87 121.76 126.75 1x9a s ALA 50 Ca -0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 1x9a s ALA 50 Cb -0.05 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1x9a s ALA 50 CO -0.01 0.66 1.84 0.42 0.00 0.00 0.00 175.76 178.67 1x9a s ILE 51 N -1.23 3.39 0.04 0.00 -1.09 -0.29 -1.19 121.20 120.83 1x9a s ILE 51 Ca 0.23 0.43 -0.25 0.00 -2.23 0.00 0.00 60.65 58.83 1x9a s ILE 51 Cb -0.11 -3.40 -0.17 0.00 -1.58 0.00 0.00 42.46 37.20 1x9a s ILE 51 CO 0.15 -0.17 1.50 0.50 -1.23 0.00 0.00 174.94 175.69 1x9a h LYS 52 N 11.76 -0.07 -0.74 2.79 3.64 0.08 0.14 116.57 134.16 1x9a h LYS 52 Ca -0.39 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.08 1x9a h LYS 52 Cb 1.19 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1x9a h LYS 52 CO 0.98 0.16 0.41 -0.44 -2.27 0.00 0.00 179.45 178.30 1x9a h ASP 53 N -0.30 0.59 -0.15 4.20 5.19 -1.90 0.18 116.42 124.23 1x9a h ASP 53 Ca -0.01 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.25 1x9a h ASP 53 Cb 0.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1x9a h ASP 53 CO 0.01 0.36 -0.62 -0.78 -3.12 0.00 0.00 179.24 175.09 1x9a h ASP 54 N 0.72 0.86 -0.15 6.45 3.58 -1.89 -1.53 116.42 124.47 1x9a h ASP 54 Ca 0.35 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 1x9a h ASP 54 Cb 0.28 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1x9a h ASP 54 CO -0.22 1.28 -0.13 0.15 -2.88 0.00 0.00 179.24 177.44 1x9a h PHE 55 N 0.56 0.41 0.00 0.28 3.57 -0.21 -2.93 116.94 118.62 1x9a h PHE 55 Ca -0.01 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1x9a h PHE 55 Cb 1.22 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1x9a h PHE 55 CO 0.07 0.72 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.73 1x9a h LEU 56 N -0.02 0.00 -1.94 0.59 -0.00 -0.67 -2.26 115.31 111.01 1x9a h LEU 56 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1x9a h LEU 56 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1x9a h LEU 56 CO 0.03 0.07 -0.12 0.00 -0.00 0.00 0.00 178.44 178.43 1x9a h ALA 57 N 1.93 1.44 -0.00 1.53 0.00 -1.08 -0.54 119.26 122.54 1x9a h ALA 57 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x9a h ALA 57 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x9a h ALA 57 CO 0.01 0.14 -0.01 0.54 0.00 0.00 0.00 179.25 179.93 1x9a n ARG 58 N -3.86 1.05 -1.46 0.00 3.00 -0.85 -4.88 116.66 109.66 1x9a n ARG 58 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 57.85 57.61 1x9a n ARG 58 Cb 0.21 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1x9a n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x9a n GLY 59 N 1.08 0.38 4.01 -0.13 0.00 -0.21 -5.05 105.19 105.27 1x9a n GLY 59 Ca 0.21 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1x9a n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x9a s TYR 60 N -2.00 1.60 -0.01 1.61 2.02 -1.25 -5.07 117.35 114.24 1x9a s TYR 60 Ca 0.00 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1x9a s TYR 60 Cb 0.00 -2.61 -0.01 0.00 -0.40 0.00 0.00 41.96 38.94 1x9a s TYR 60 CO 0.00 -1.38 -0.14 -1.12 -1.57 0.00 0.00 175.55 171.33 1x9a s SER 61 N -4.68 1.67 0.61 2.29 0.01 -1.26 -4.64 113.70 107.70 1x9a s SER 61 Ca 0.64 -0.26 0.36 0.00 1.31 0.00 0.00 55.95 57.99 1x9a s SER 61 Cb -0.06 -0.19 2.00 0.00 0.21 0.00 0.00 66.02 67.98 1x9a s SER 61 CO 0.41 0.17 2.27 -0.33 0.41 0.00 0.00 173.24 176.18 1x9a h GLU 62 N 5.81 0.00 -0.42 12.44 3.07 -1.97 -1.26 114.58 132.25 1x9a h GLU 62 Ca -0.34 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.64 1x9a h GLU 62 Cb 1.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1x9a h GLU 62 CO 0.49 0.02 0.33 1.49 -1.40 0.00 0.00 179.01 179.94 1x9a h GLU 63 N 0.00 0.00 0.00 2.33 4.57 -1.99 -0.72 114.58 118.77 1x9a h GLU 63 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x9a h GLU 63 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1x9a h GLU 63 CO 0.00 0.00 -0.73 0.22 -1.18 0.00 0.00 179.01 177.33 1x9a h ASP 64 N 0.00 0.00 -3.96 1.04 3.58 -1.64 -3.47 116.42 111.97 1x9a h ASP 64 Ca 0.20 -0.10 -0.48 0.00 0.42 0.00 0.00 57.03 57.07 1x9a h ASP 64 Cb 0.86 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.92 1x9a h ASP 64 CO -0.00 0.05 0.40 -0.44 -2.88 0.00 0.00 179.24 176.36 1x9a s SER 65 N -4.92 6.83 -0.03 2.28 0.01 -0.28 -4.83 113.70 112.76 1x9a s SER 65 Ca 0.03 1.99 0.14 0.00 1.31 0.00 0.00 55.95 59.42 1x9a s SER 65 Cb 0.11 -2.58 -0.21 0.00 0.21 0.00 0.00 66.02 63.55 1x9a s SER 65 CO 0.75 -0.44 0.64 1.17 0.41 0.00 0.00 173.24 175.77 1x9a n LYS 66 N -0.06 0.63 -3.93 12.44 0.00 0.39 -4.94 118.16 122.70 1x9a n LYS 66 Ca 0.05 0.24 -0.21 0.00 0.00 0.00 0.00 58.31 58.39 1x9a n LYS 66 Cb 0.50 -1.77 -0.04 0.00 0.00 0.00 0.00 35.03 33.73 1x9a n LYS 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x9a s VAL 67 N -2.68 3.89 0.56 3.15 -7.23 -1.21 -5.09 120.40 111.79 1x9a s VAL 67 Ca -0.05 -1.38 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1x9a s VAL 67 Cb 0.08 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 1x9a s VAL 67 CO 0.82 -0.24 1.07 -2.16 -0.31 0.00 0.00 175.10 174.28 1x9a s PRO 68 N -3.94 3.41 -0.07 4.82 0.04 -1.26 -4.93 135.00 133.06 1x9a s PRO 68 Ca 0.38 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1x9a s PRO 68 Cb -0.07 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1x9a s PRO 68 CO 0.26 -0.75 -0.15 -0.51 0.04 0.00 0.00 177.00 175.89 1x9a s LEU 69 N -4.12 2.67 0.16 -3.56 2.01 -1.26 -2.48 118.68 112.10 1x9a s LEU 69 Ca 0.67 -0.26 0.10 0.00 0.01 0.00 0.00 54.13 54.64 1x9a s LEU 69 Cb -0.18 -1.56 -0.04 0.00 0.01 0.00 0.00 46.19 44.42 1x9a s LEU 69 CO 0.31 0.28 -0.17 0.27 1.01 0.00 0.00 176.35 178.05 1x9a s ILE 70 N -0.35 2.79 0.39 -0.59 -0.00 -0.33 -4.80 121.20 118.30 1x9a s ILE 70 Ca 0.03 -1.74 0.06 0.00 -0.00 0.00 0.00 60.65 59.01 1x9a s ILE 70 Cb -0.12 -2.34 0.00 0.00 -0.00 0.00 0.00 42.46 40.00 1x9a s ILE 70 CO 0.02 -0.04 0.54 -0.89 -0.00 0.00 0.00 174.94 174.57 1x9a s THR 71 N -1.51 3.60 0.45 8.37 2.01 -1.26 0.80 115.64 128.10 1x9a s THR 71 Ca 0.21 -0.94 0.22 0.00 0.31 0.00 0.00 61.69 61.49 1x9a s THR 71 Cb -0.09 -3.25 0.41 0.00 0.01 0.00 0.00 72.50 69.58 1x9a s THR 71 CO 0.12 -0.11 1.87 0.10 -0.69 0.00 0.00 174.62 175.91 1x9a h TYR 72 N 0.71 0.38 -0.32 4.92 -0.00 -1.98 0.38 116.97 121.05 1x9a h TYR 72 Ca -0.44 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.22 1x9a h TYR 72 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.87 1x9a h TYR 72 CO 0.41 0.09 -0.13 0.66 -0.00 0.00 0.00 178.16 179.20 1x9a h SER 73 N 0.28 0.67 0.26 0.10 4.64 -2.00 -2.66 113.55 114.84 1x9a h SER 73 Ca 0.46 -0.39 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 1x9a h SER 73 Cb 1.33 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1x9a h SER 73 CO -0.13 0.91 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.83 1x9a h GLU 74 N 0.42 0.33 -0.73 4.77 4.39 -1.17 -2.72 114.58 119.87 1x9a h GLU 74 Ca 0.08 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1x9a h GLU 74 Cb 0.64 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1x9a h GLU 74 CO 0.04 0.81 0.31 0.35 -1.16 0.00 0.00 179.01 179.36 1x9a h PHE 75 N 0.25 1.09 -0.13 4.33 3.57 -0.33 0.12 116.94 125.84 1x9a h PHE 75 Ca -0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1x9a h PHE 75 Cb 1.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1x9a h PHE 75 CO 0.03 0.82 0.08 0.82 -2.23 0.00 0.00 178.31 177.83 1x9a h ILE 76 N 1.03 1.05 -0.91 1.41 5.03 -1.34 -2.61 117.51 121.17 1x9a h ILE 76 Ca 0.24 -0.12 0.03 0.00 -0.12 0.00 0.00 64.86 64.89 1x9a h ILE 76 Cb 0.18 0.90 -0.05 0.00 -3.03 0.00 0.00 36.82 34.82 1x9a h ILE 76 CO -0.02 0.05 0.60 0.44 -0.68 0.00 0.00 178.15 178.53 1x9a h ASP 77 N 0.15 1.01 -0.28 1.72 3.32 -1.11 -2.25 116.42 118.99 1x9a h ASP 77 Ca 0.05 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1x9a h ASP 77 Cb 0.01 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1x9a h ASP 77 CO -0.01 0.71 0.04 0.17 -1.72 0.00 0.00 179.24 178.43 1x9a h LEU 78 N 1.18 -0.02 -1.20 1.55 8.10 -0.48 0.14 115.31 124.57 1x9a h LEU 78 Ca 0.35 0.05 -0.06 0.00 0.11 0.00 0.00 57.88 58.33 1x9a h LEU 78 Cb -0.05 0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1x9a h LEU 78 CO -0.10 0.02 -0.27 0.25 -4.11 0.00 0.00 178.44 174.24 1x9a h LEU 79 N 0.13 0.00 -1.09 0.17 5.85 -1.05 0.45 115.31 119.77 1x9a h LEU 79 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1x9a h LEU 79 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1x9a h LEU 79 CO -0.18 0.27 0.00 1.21 -0.34 0.00 0.00 178.44 179.40 1x9a n GLU 80 N -3.53 1.50 -1.07 1.25 0.00 -0.99 -4.83 120.64 112.97 1x9a n GLU 80 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 57.16 56.67 1x9a n GLU 80 Cb 0.42 -1.45 -0.01 0.00 0.00 0.00 0.00 31.44 30.40 1x9a n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x9a n GLY 81 N 0.28 0.56 4.44 8.31 0.00 0.15 -2.29 105.19 116.63 1x9a n GLY 81 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1x9a n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9a n GLU 82 N -2.40 0.00 0.22 1.61 2.13 0.45 -4.46 120.64 118.20 1x9a n GLU 82 Ca -0.02 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.91 1x9a n GLU 82 Cb 0.14 -0.15 0.20 0.00 0.27 0.00 0.00 31.44 31.90 1x9a n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x9a h GLU 83 N 0.00 0.00 -4.03 5.31 4.81 -1.82 -3.48 114.58 115.37 1x9a h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x9a h GLU 83 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1x9a h GLU 83 CO 0.00 0.04 -0.35 0.36 -0.73 0.00 0.00 179.01 178.32 1x9a n LYS 84 N -3.11 -1.94 -0.62 1.92 2.85 -0.97 -4.91 118.16 111.38 1x9a n LYS 84 Ca 0.04 1.39 0.08 0.00 -1.05 0.00 0.00 58.31 58.77 1x9a n LYS 84 Cb 0.53 -1.99 0.33 0.00 -0.65 0.00 0.00 35.03 33.25 1x9a n LYS 84 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1x9a n PHE 85 N 1.86 1.43 -0.20 5.58 3.01 -1.26 -4.58 117.46 123.30 1x9a n PHE 85 Ca 0.00 -0.72 -0.06 0.00 1.01 0.00 0.00 57.45 57.67 1x9a n PHE 85 Cb 0.00 -0.34 0.03 0.00 -0.01 0.00 0.00 39.48 39.16 1x9a n PHE 85 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1x9a h ILE 86 N 3.17 1.16 0.00 4.37 1.08 -1.93 -3.55 117.51 121.81 1x9a h ILE 86 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1x9a h ILE 86 Cb 1.57 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1x9a h ILE 86 CO 0.30 0.16 0.00 0.61 -0.69 0.00 0.00 178.15 178.53