#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 -3.17 3.17 0.00 -1.26 -4.66 120.51 114.58 1x9a n ALA 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1x9a n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 4.38 -0.23 0.00 2.96 -1.26 -0.13 118.68 124.40 1x9a s LEU 3 Ca 0.00 -1.12 -0.01 0.00 -0.22 0.00 0.00 54.13 52.77 1x9a s LEU 3 Cb 0.00 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1x9a s LEU 3 CO 0.00 -0.34 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.92 1x9a s VAL 4 N 1.42 2.79 -0.22 1.68 1.01 0.99 -4.97 120.40 123.10 1x9a s VAL 4 Ca -0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1x9a s VAL 4 Cb -0.19 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1x9a s VAL 4 CO 0.03 0.27 0.01 -0.76 0.00 0.00 0.00 175.10 174.65 1x9a s LEU 5 N 1.33 3.18 -0.25 3.92 1.43 -1.26 -0.40 118.68 126.63 1x9a s LEU 5 Ca 0.01 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1x9a s LEU 5 Cb -0.16 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1x9a s LEU 5 CO -0.06 -0.00 0.01 -0.69 0.23 0.00 0.00 176.35 175.84 1x9a s VAL 6 N 1.38 3.61 -0.44 -1.59 1.01 0.35 -4.94 120.40 119.79 1x9a s VAL 6 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1x9a s VAL 6 Cb -0.15 -2.75 0.30 0.00 0.00 0.00 0.00 36.38 33.78 1x9a s VAL 6 CO 0.01 0.27 0.90 2.29 0.00 0.00 0.00 175.10 178.57 1x9a n LYS 7 N 4.82 0.91 -3.99 2.72 2.85 -1.26 -2.01 118.16 122.20 1x9a n LYS 7 Ca -0.17 -2.35 0.02 0.00 -1.05 0.00 0.00 58.31 54.76 1x9a n LYS 7 Cb 0.49 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 33.58 1x9a n LYS 7 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1x9a s TYR 8 N -0.38 0.04 0.83 5.58 -0.85 -1.26 -4.78 117.35 116.52 1x9a s TYR 8 Ca 0.30 -0.21 -0.14 0.00 -0.52 0.00 0.00 57.07 56.50 1x9a s TYR 8 Cb 0.27 0.59 0.04 0.00 0.38 0.00 0.00 41.96 43.24 1x9a s TYR 8 CO -0.12 -0.39 0.80 0.41 -1.52 0.00 0.00 175.55 174.73 1x9a n GLY 9 N -0.89 -0.99 0.00 5.49 0.00 -1.26 -3.48 105.19 104.06 1x9a n GLY 9 Ca 0.03 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.61 1x9a n GLY 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x9a n THR 10 N -3.15 0.05 0.27 2.61 -1.04 -1.26 -3.08 114.28 108.67 1x9a n THR 10 Ca 0.11 0.01 0.13 0.00 -2.04 0.00 0.00 64.05 62.26 1x9a n THR 10 Cb 0.51 -0.73 0.75 0.00 -1.82 0.00 0.00 70.33 69.04 1x9a n THR 10 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1x9a h ASP 11 N 0.00 0.00 -3.78 8.00 3.58 -1.98 -3.37 116.42 118.87 1x9a h ASP 11 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.78 1x9a h ASP 11 Cb 0.01 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 40.69 1x9a h ASP 11 CO 0.00 0.10 -0.75 -1.00 -2.88 0.00 0.00 179.24 174.71 1x9a s HIS 12 N -4.21 3.47 -1.42 0.28 3.76 -1.18 -4.98 115.29 111.01 1x9a s HIS 12 Ca -0.03 -2.54 0.09 0.00 -0.15 0.00 0.00 55.06 52.43 1x9a s HIS 12 Cb 0.13 -2.38 0.46 0.00 1.11 0.00 0.00 32.58 31.90 1x9a s HIS 12 CO 0.58 -0.90 1.17 -2.30 -0.85 0.00 0.00 174.74 172.43 1x9a n PRO 13 N 4.39 0.13 -0.03 8.40 -0.02 -1.26 -2.91 135.00 143.69 1x9a n PRO 13 Ca -0.07 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1x9a n PRO 13 Cb 0.42 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.86 1x9a n PRO 13 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1x9a h VAL 14 N 0.00 1.01 -1.00 -1.45 3.04 -1.95 -0.59 116.25 115.32 1x9a h VAL 14 Ca 0.00 -0.17 0.08 0.00 -1.01 0.00 0.00 66.70 65.60 1x9a h VAL 14 Cb 0.09 0.49 -0.07 0.00 -2.01 0.00 0.00 31.29 29.78 1x9a h VAL 14 CO 0.00 0.09 0.64 -0.33 -1.01 0.00 0.00 177.57 176.96 1x9a h GLU 15 N 0.49 1.10 -0.05 4.17 4.39 -1.91 -1.68 114.58 121.08 1x9a h GLU 15 Ca 0.20 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.68 1x9a h GLU 15 Cb 0.19 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1x9a h GLU 15 CO -0.05 0.73 -0.66 -0.22 -1.16 0.00 0.00 179.01 177.65 1x9a h LYS 16 N 1.13 0.21 0.00 2.33 3.64 -1.36 -2.62 116.57 119.90 1x9a h LYS 16 Ca 0.45 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1x9a h LYS 16 Cb 0.24 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1x9a h LYS 16 CO -0.19 0.79 -0.01 1.37 -2.27 0.00 0.00 179.45 179.14 1x9a h LEU 17 N 0.15 0.00 -0.38 5.20 8.10 -1.01 -1.52 115.31 125.85 1x9a h LEU 17 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.81 1x9a h LEU 17 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.40 1x9a h LEU 17 CO 0.10 0.01 -0.46 0.11 -4.11 0.00 0.00 178.44 174.10 1x9a h LYS 18 N 0.00 0.88 -0.47 0.17 1.57 -1.02 0.72 116.57 118.42 1x9a h LYS 18 Ca -0.00 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1x9a h LYS 18 Cb 0.82 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1x9a h LYS 18 CO 0.00 1.14 0.23 0.82 -0.57 0.00 0.00 179.45 181.07 1x9a h ILE 19 N 0.70 1.16 -0.21 1.86 2.04 -1.08 -2.57 117.51 119.40 1x9a h ILE 19 Ca 0.04 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.32 1x9a h ILE 19 Cb 1.05 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1x9a h ILE 19 CO 0.11 0.18 -0.39 0.03 0.00 0.00 0.00 178.15 178.08 1x9a h ARG 20 N 0.66 0.64 -3.22 2.37 3.08 -1.04 -3.36 114.38 113.51 1x9a h ARG 20 Ca 0.17 -0.41 -0.72 0.00 0.07 0.00 0.00 59.98 59.09 1x9a h ARG 20 Cb 0.07 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1x9a h ARG 20 CO -0.02 1.02 2.94 0.43 -1.07 0.00 0.00 179.97 183.27 1x9a n SER 21 N -4.24 6.76 -4.08 7.04 7.64 0.22 -4.86 113.62 122.10 1x9a n SER 21 Ca -0.06 -2.89 -0.09 0.00 1.01 0.00 0.00 58.87 56.84 1x9a n SER 21 Cb 0.53 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1x9a n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x9a s ALA 22 N 1.13 0.53 0.43 -0.43 0.00 -1.26 -4.65 121.76 117.51 1x9a s ALA 22 Ca 0.54 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1x9a s ALA 22 Cb 0.16 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.53 1x9a s ALA 22 CO -0.06 -0.26 0.51 1.63 0.00 0.00 0.00 175.76 177.58 1x9a n LYS 23 N 0.55 0.76 0.00 0.00 5.02 -1.26 -4.76 118.16 118.47 1x9a n LYS 23 Ca -0.17 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.73 1x9a n LYS 23 Cb 0.59 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1x9a n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x9a n ALA 24 N -2.40 2.40 -0.03 7.82 0.00 -1.26 -2.47 120.51 124.57 1x9a n ALA 24 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1x9a n ALA 24 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1x9a n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x9a n GLU 25 N -0.23 4.21 -2.36 0.00 1.02 -1.26 -4.86 120.64 117.16 1x9a n GLU 25 Ca 0.00 -0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 1x9a n GLU 25 Cb 0.11 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1x9a n GLU 25 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x9a s ASP 26 N -0.64 6.26 -0.06 1.62 1.11 -1.03 -4.66 116.67 119.26 1x9a s ASP 26 Ca 0.00 1.12 0.04 0.00 0.18 0.00 0.00 52.55 53.90 1x9a s ASP 26 Cb 0.00 -2.33 -0.00 0.00 1.07 0.00 0.00 42.92 41.65 1x9a s ASP 26 CO 0.00 -0.68 -0.20 -0.54 1.18 0.00 0.00 175.17 174.93 1x9a s LYS 27 N -4.87 2.26 -0.17 8.23 3.01 0.82 -0.72 119.74 128.31 1x9a s LYS 27 Ca 0.50 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.76 1x9a s LYS 27 Cb -0.11 -1.86 0.02 0.00 -1.01 0.00 0.00 37.83 34.87 1x9a s LYS 27 CO 0.48 0.23 -0.19 0.42 0.51 0.00 0.00 175.35 176.80 1x9a s ILE 28 N 0.15 1.97 -0.18 2.17 1.01 0.10 -0.01 121.20 126.42 1x9a s ILE 28 Ca -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 1x9a s ILE 28 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1x9a s ILE 28 CO 0.04 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.83 1x9a s VAL 29 N 1.26 4.21 -0.29 2.92 1.01 0.47 -0.14 120.40 129.85 1x9a s VAL 29 Ca 0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1x9a s VAL 29 Cb -0.13 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1x9a s VAL 29 CO -0.11 0.46 0.19 -0.76 0.00 0.00 0.00 175.10 174.88 1x9a s LEU 30 N 0.58 4.07 -0.04 3.92 2.01 0.57 -0.50 118.68 129.29 1x9a s LEU 30 Ca -0.00 -0.06 -0.06 0.00 0.01 0.00 0.00 54.13 54.02 1x9a s LEU 30 Cb -0.14 -2.12 0.01 0.00 0.01 0.00 0.00 46.19 43.96 1x9a s LEU 30 CO 0.02 -0.07 0.16 -0.51 1.01 0.00 0.00 176.35 176.96 1x9a s ILE 31 N 1.75 0.02 0.00 -0.59 1.10 -0.85 -2.44 121.20 120.19 1x9a s ILE 31 Ca 0.07 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.02 1x9a s ILE 31 Cb -0.16 -0.29 0.00 0.00 0.15 0.00 0.00 42.46 42.16 1x9a s ILE 31 CO 0.11 -0.10 0.00 0.00 -2.11 0.00 0.00 174.94 172.83 1x9a n GLN 32 N 2.57 0.00 0.00 3.50 6.02 -1.26 -1.71 117.38 126.50 1x9a n GLN 32 Ca -0.15 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1x9a n GLN 32 Cb 0.58 0.00 0.52 0.00 1.02 0.00 0.00 30.24 32.35 1x9a n GLN 32 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x9a n ASN 33 N 5.73 0.00 0.18 1.08 3.02 -1.26 -2.48 115.26 121.54 1x9a n ASN 33 Ca 0.00 -0.05 0.14 0.00 -0.03 0.00 0.00 54.58 54.64 1x9a n ASN 33 Cb 0.00 -0.27 0.59 0.00 -0.61 0.00 0.00 39.78 39.50 1x9a n ASN 33 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x9a h GLY 34 N 3.33 0.00 2.00 7.41 0.00 -1.36 -2.78 103.07 111.67 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 -1.66 -2.21 116.25 115.47 1x9a h VAL 35 Ca 0.00 -0.27 -0.08 0.00 -1.23 0.00 0.00 66.70 65.12 1x9a h VAL 35 Cb 0.33 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1x9a h VAL 35 CO 0.00 0.00 -0.39 -0.26 -1.23 0.00 0.00 177.57 175.69 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.75 -2.12 116.94 118.30 1x9a h PHE 36 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1x9a h PHE 36 Cb 0.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 1x9a h PHE 36 CO 0.00 0.39 -0.10 -1.49 -0.60 0.00 0.00 178.31 176.52 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.61 -2.51 115.95 115.33 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 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 1x9a h TRP 37 CO 0.00 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 174.98 1x9a n ALA 38 N -2.15 1.98 -0.55 1.49 0.00 -0.80 -2.64 120.51 117.84 1x9a n ALA 38 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1x9a n ALA 38 Cb 0.36 -1.36 0.35 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.66 4.57 0.00 0.00 4.77 -0.95 -2.08 117.00 121.66 1x9a n LEU 39 Ca 0.05 -2.31 -0.15 0.00 -0.03 0.00 0.00 56.01 53.57 1x9a n LEU 39 Cb 0.27 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1x9a n LEU 39 CO 0.21 0.87 0.25 -0.62 -1.33 0.00 0.00 177.39 176.77 1x9a n GLU 40 N 1.32 0.73 -0.02 3.23 1.02 -1.08 -4.85 120.64 120.99 1x9a n GLU 40 Ca 0.26 -2.33 0.13 0.00 -0.02 0.00 0.00 57.16 55.20 1x9a n GLU 40 Cb 0.82 -0.13 0.49 0.00 -0.02 0.00 0.00 31.44 32.60 1x9a n GLU 40 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1x9a n GLU 41 N -1.89 1.68 -1.74 3.49 4.07 -1.26 -4.62 120.64 120.37 1x9a n GLU 41 Ca 0.11 -0.99 -0.42 0.00 -0.06 0.00 0.00 57.16 55.80 1x9a n GLU 41 Cb 0.45 -1.46 -0.02 0.00 -0.06 0.00 0.00 31.44 30.34 1x9a n GLU 41 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1x9a n LEU 42 N 0.21 4.28 -4.12 4.31 -0.00 -1.26 -5.01 117.00 115.40 1x9a n LEU 42 Ca 0.18 1.12 -0.27 0.00 -0.00 0.00 0.00 56.01 57.03 1x9a n LEU 42 Cb 0.35 -1.59 -0.17 0.00 -0.00 0.00 0.00 43.42 42.01 1x9a n LEU 42 CO 0.16 0.19 -0.51 -1.61 -0.00 0.00 0.00 177.39 175.62 1x9a s GLU 43 N 0.10 2.15 0.02 1.47 2.02 -1.26 -4.97 118.70 118.24 1x9a s GLU 43 Ca 0.68 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1x9a s GLU 43 Cb -0.49 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1x9a s GLU 43 CO 0.42 0.15 -0.09 -0.08 0.02 0.00 0.00 175.26 175.69 1x9a s THR 44 N 0.35 0.67 0.15 3.63 -1.32 -1.26 -4.96 115.64 112.90 1x9a s THR 44 Ca -0.12 -0.67 0.34 0.00 -1.21 0.00 0.00 61.69 60.03 1x9a s THR 44 Cb -0.15 -0.62 0.39 0.00 -1.51 0.00 0.00 72.50 70.61 1x9a s THR 44 CO 0.05 -0.03 2.02 -0.65 -2.21 0.00 0.00 174.62 173.79 1x9a h PRO 45 N 5.33 0.00 -7.36 7.08 0.11 -1.87 -3.45 132.00 131.84 1x9a h PRO 45 Ca -0.33 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.27 1x9a h PRO 45 Cb 1.19 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.40 1x9a h PRO 45 CO 0.46 0.01 0.36 0.00 -0.21 0.00 0.00 178.00 178.62 1x9a s ALA 46 N -3.71 2.60 -0.46 -0.75 0.00 -1.22 -4.64 121.76 113.58 1x9a s ALA 46 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1x9a s ALA 46 Cb 0.09 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1x9a s ALA 46 CO 0.53 -1.33 1.58 0.15 0.00 0.00 0.00 175.76 176.70 1x9a s LYS 47 N -5.08 3.30 -0.26 0.00 -0.14 0.11 -4.86 119.74 112.81 1x9a s LYS 47 Ca 0.59 0.89 -0.13 0.00 -1.36 0.00 0.00 55.97 55.96 1x9a s LYS 47 Cb -0.14 -4.15 -0.04 0.00 -1.68 0.00 0.00 37.83 31.82 1x9a s LYS 47 CO 0.55 -1.91 0.29 0.54 -0.76 0.00 0.00 175.35 174.06 1x9a s VAL 48 N 6.50 5.25 -0.02 3.17 0.11 -1.26 0.03 120.40 134.18 1x9a s VAL 48 Ca 0.65 0.41 0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1x9a s VAL 48 Cb -0.15 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1x9a s VAL 48 CO 0.29 0.23 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.86 1x9a s TYR 49 N 1.73 1.08 -0.04 1.54 2.02 0.81 -4.15 117.35 120.34 1x9a s TYR 49 Ca 0.12 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 1x9a s TYR 49 Cb -0.15 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 1x9a s TYR 49 CO 0.09 -0.06 -0.16 0.00 -1.57 0.00 0.00 175.55 173.85 1x9a s ALA 50 N -0.09 1.44 -0.15 3.71 0.00 -1.20 -0.32 121.76 125.14 1x9a s ALA 50 Ca 0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1x9a s ALA 50 Cb -0.07 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1x9a s ALA 50 CO 0.00 0.27 1.90 0.42 0.00 0.00 0.00 175.76 178.35 1x9a s ILE 51 N 0.02 3.30 0.18 0.00 -1.09 -1.02 -2.49 121.20 120.09 1x9a s ILE 51 Ca -0.03 0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.61 1x9a s ILE 51 Cb -0.11 -3.30 0.09 0.00 -1.58 0.00 0.00 42.46 37.56 1x9a s ILE 51 CO 0.02 -0.13 1.74 0.11 -1.23 0.00 0.00 174.94 175.45 1x9a h LYS 52 N 12.10 0.92 -0.39 2.79 1.57 -1.39 -0.07 116.57 132.10 1x9a h LYS 52 Ca -0.40 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1x9a h LYS 52 Cb 1.20 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1x9a h LYS 52 CO 0.97 0.77 0.13 -0.44 -0.57 0.00 0.00 179.45 180.31 1x9a h ASP 53 N 0.87 0.12 -0.31 0.86 5.19 -1.90 0.29 116.42 121.54 1x9a h ASP 53 Ca 0.21 0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.49 1x9a h ASP 53 Cb 0.18 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1x9a h ASP 53 CO -0.02 0.11 -0.49 -0.78 -3.12 0.00 0.00 179.24 174.94 1x9a h ASP 54 N 0.28 0.97 -0.04 6.45 3.58 -1.92 -2.41 116.42 123.33 1x9a h ASP 54 Ca 0.18 -0.49 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 1x9a h ASP 54 Cb 0.17 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1x9a h ASP 54 CO -0.20 1.29 -0.22 0.15 -2.88 0.00 0.00 179.24 177.38 1x9a h PHE 55 N 0.70 0.31 0.00 0.28 3.57 -0.66 -3.24 116.94 117.90 1x9a h PHE 55 Ca 0.03 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1x9a h PHE 55 Cb 1.09 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1x9a h PHE 55 CO 0.07 0.86 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.53 1x9a h LEU 56 N -0.32 0.00 -1.47 0.59 -0.00 -0.50 -2.08 115.31 111.53 1x9a h LEU 56 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1x9a h LEU 56 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1x9a h LEU 56 CO 0.05 0.40 0.00 0.00 -0.00 0.00 0.00 178.44 178.89 1x9a h ALA 57 N 1.60 1.00 0.00 1.53 0.00 -1.45 -1.87 119.26 120.06 1x9a h ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9a h ALA 57 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x9a h ALA 57 CO 0.05 0.00 -0.09 0.54 0.00 0.00 0.00 179.25 179.76 1x9a n ARG 58 N -2.71 0.02 -0.85 0.00 5.12 -0.78 -4.91 116.66 112.56 1x9a n ARG 58 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1x9a n ARG 58 Cb 0.21 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1x9a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x9a n GLY 59 N 1.49 1.18 3.70 -0.13 0.00 -0.70 -5.10 105.19 105.62 1x9a n GLY 59 Ca 0.07 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.19 1.82 0.04 1.61 2.02 -1.25 -5.09 117.35 114.31 1x9a s TYR 60 Ca 0.00 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1x9a s TYR 60 Cb 0.00 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1x9a s TYR 60 CO 0.00 0.08 -0.04 -1.12 -1.57 0.00 0.00 175.55 172.90 1x9a s SER 61 N -3.82 0.49 0.59 2.29 0.01 -1.26 -4.58 113.70 107.43 1x9a s SER 61 Ca 0.09 -0.73 0.30 0.00 1.31 0.00 0.00 55.95 56.92 1x9a s SER 61 Cb 0.01 0.13 1.80 0.00 0.21 0.00 0.00 66.02 68.17 1x9a s SER 61 CO 0.05 -0.41 2.22 -0.33 0.41 0.00 0.00 173.24 175.19 1x9a h GLU 62 N 3.95 0.00 -0.10 12.44 5.08 -1.98 -2.18 114.58 131.80 1x9a h GLU 62 Ca -0.33 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1x9a h GLU 62 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1x9a h GLU 62 CO 0.52 0.00 0.08 0.93 -1.00 0.00 0.00 179.01 179.54 1x9a h GLU 63 N 0.00 0.00 0.00 2.33 4.39 -1.99 -1.68 114.58 117.63 1x9a h GLU 63 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x9a h GLU 63 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1x9a h GLU 63 CO -0.00 0.00 -0.96 -3.47 -1.16 0.00 0.00 179.01 173.42 1x9a n ASP 64 N -4.14 0.65 -4.86 1.42 2.03 -0.82 -4.93 116.55 105.90 1x9a n ASP 64 Ca -0.01 -0.37 -0.31 0.00 0.52 0.00 0.00 54.79 54.62 1x9a n ASP 64 Cb 0.19 0.78 -0.04 0.00 -0.72 0.00 0.00 41.12 41.34 1x9a n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x9a s SER 65 N -3.60 6.59 -0.03 1.67 0.01 -0.63 -4.81 113.70 112.89 1x9a s SER 65 Ca 0.05 1.31 0.21 0.00 1.31 0.00 0.00 55.95 58.83 1x9a s SER 65 Cb 0.15 -2.40 -0.31 0.00 0.21 0.00 0.00 66.02 63.67 1x9a s SER 65 CO 0.80 -0.45 0.51 1.17 0.41 0.00 0.00 173.24 175.68 1x9a n LYS 66 N -1.30 0.59 -3.97 12.44 4.81 -0.88 -4.98 118.16 124.86 1x9a n LYS 66 Ca 0.04 -0.17 -0.24 0.00 -0.87 0.00 0.00 58.31 57.07 1x9a n LYS 66 Cb 0.54 -1.49 -0.03 0.00 0.02 0.00 0.00 35.03 34.07 1x9a n LYS 66 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x9a s VAL 67 N -3.38 5.19 0.07 3.15 -7.23 -1.24 -5.06 120.40 111.89 1x9a s VAL 67 Ca -0.06 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.95 1x9a s VAL 67 Cb 0.14 -3.73 -0.07 0.00 0.56 0.00 0.00 36.38 33.27 1x9a s VAL 67 CO 0.86 -0.19 1.48 -2.84 -0.31 0.00 0.00 175.10 174.11 1x9a s PRO 68 N -3.50 4.26 -0.08 4.82 0.02 -1.26 -4.96 135.00 134.30 1x9a s PRO 68 Ca 0.34 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 63.35 1x9a s PRO 68 Cb -0.10 -3.43 -0.05 0.00 0.02 0.00 0.00 34.50 30.94 1x9a s PRO 68 CO 0.28 -0.58 0.39 -0.51 -0.33 0.00 0.00 177.00 176.25 1x9a s LEU 69 N 1.92 4.36 0.33 -5.54 2.01 -1.26 -3.26 118.68 117.23 1x9a s LEU 69 Ca 0.67 0.79 0.05 0.00 0.01 0.00 0.00 54.13 55.65 1x9a s LEU 69 Cb -0.37 -2.54 -0.06 0.00 0.01 0.00 0.00 46.19 43.23 1x9a s LEU 69 CO 0.30 0.18 0.01 0.27 1.01 0.00 0.00 176.35 178.12 1x9a s ILE 70 N -0.21 1.48 0.38 -0.59 -0.00 -1.04 -4.95 121.20 116.27 1x9a s ILE 70 Ca 0.22 -2.04 0.06 0.00 -0.00 0.00 0.00 60.65 58.89 1x9a s ILE 70 Cb -0.15 -2.72 -0.00 0.00 -0.00 0.00 0.00 42.46 39.58 1x9a s ILE 70 CO 0.10 -0.10 0.53 0.42 -0.00 0.00 0.00 174.94 175.89 1x9a s THR 71 N -3.10 3.79 0.52 8.37 -4.23 -1.26 -0.97 115.64 118.76 1x9a s THR 71 Ca 0.34 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 60.13 1x9a s THR 71 Cb 0.07 -3.32 0.32 0.00 1.34 0.00 0.00 72.50 70.92 1x9a s THR 71 CO 0.15 -0.14 2.09 0.10 -0.54 0.00 0.00 174.62 176.27 1x9a h TYR 72 N 0.74 0.01 -0.64 3.99 -0.00 -1.97 0.35 116.97 119.45 1x9a h TYR 72 Ca -0.44 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.30 1x9a h TYR 72 Cb 1.26 -0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.95 1x9a h TYR 72 CO 0.42 0.01 0.41 0.77 -0.00 0.00 0.00 178.16 179.76 1x9a h SER 73 N 0.01 0.68 1.46 0.10 0.02 -2.00 -2.20 113.55 111.62 1x9a h SER 73 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1x9a h SER 73 Cb 0.41 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1x9a h SER 73 CO -0.00 0.48 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.29 1x9a h GLU 74 N 0.81 0.00 -0.45 3.45 5.08 -1.38 -2.13 114.58 119.96 1x9a h GLU 74 Ca 0.25 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1x9a h GLU 74 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1x9a h GLU 74 CO -0.08 0.35 0.07 0.35 -1.00 0.00 0.00 179.01 178.70 1x9a h PHE 75 N 0.00 0.80 -0.64 4.33 3.57 -0.79 0.16 116.94 124.37 1x9a h PHE 75 Ca -0.02 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.30 1x9a h PHE 75 Cb 1.31 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1x9a h PHE 75 CO 0.00 0.75 0.14 0.82 -2.23 0.00 0.00 178.31 177.79 1x9a h ILE 76 N 0.61 1.26 -0.88 1.41 5.03 -1.40 -2.63 117.51 120.91 1x9a h ILE 76 Ca 0.14 -0.96 0.02 0.00 -0.12 0.00 0.00 64.86 63.93 1x9a h ILE 76 Cb 0.39 0.64 -0.05 0.00 -3.03 0.00 0.00 36.82 34.77 1x9a h ILE 76 CO 0.01 0.36 0.58 -0.78 -0.68 0.00 0.00 178.15 177.64 1x9a h ASP 77 N 0.96 0.99 0.07 1.72 3.58 -0.88 -0.93 116.42 121.92 1x9a h ASP 77 Ca 0.20 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1x9a h ASP 77 Cb 0.38 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1x9a h ASP 77 CO 0.01 0.70 -0.08 0.25 -2.88 0.00 0.00 179.24 177.24 1x9a h LEU 78 N 1.16 -0.21 -1.93 2.28 5.85 -0.55 -2.85 115.31 119.05 1x9a h LEU 78 Ca 0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1x9a h LEU 78 Cb -0.08 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1x9a h LEU 78 CO -0.08 -0.12 0.00 -0.07 -0.34 0.00 0.00 178.44 177.82 1x9a h LEU 79 N -0.17 0.00 -0.24 2.25 4.07 -0.88 0.14 115.31 120.48 1x9a h LEU 79 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1x9a h LEU 79 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1x9a h LEU 79 CO -0.03 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.71 1x9a n GLU 80 N -2.88 0.77 0.00 1.13 1.02 -0.47 -4.75 120.64 115.47 1x9a n GLU 80 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1x9a n GLU 80 Cb 0.18 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1x9a n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x9a n GLY 81 N 0.24 0.61 4.44 0.62 0.00 -0.10 -3.53 105.19 107.47 1x9a n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.27 0.00 0.16 1.61 2.13 0.28 -4.46 120.64 119.09 1x9a n GLU 82 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1x9a n GLU 82 Cb 0.00 -1.16 0.34 0.00 0.27 0.00 0.00 31.44 30.89 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 0.13 0.00 0.00 5.31 4.81 -1.85 -3.48 114.58 119.50 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 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.45 1x9a n LYS 84 N -2.60 0.00 -2.72 1.92 0.00 -1.23 -5.03 118.16 108.50 1x9a n LYS 84 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.30 1x9a n LYS 84 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.49 1x9a n LYS 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1x9a n PHE 85 N 0.00 -3.42 0.67 5.64 7.35 -1.26 -4.80 117.46 121.64 1x9a n PHE 85 Ca 0.00 1.43 0.08 0.00 -0.76 0.00 0.00 57.45 58.19 1x9a n PHE 85 Cb 0.00 -3.91 0.01 0.00 0.35 0.00 0.00 39.48 35.94 1x9a n PHE 85 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1x9a n ILE 86 N -0.00 0.00 0.00 -2.13 0.13 -1.26 -5.02 119.36 111.08 1x9a n ILE 86 Ca 0.08 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.35 1x9a n ILE 86 Cb 0.29 1.21 0.00 0.00 -0.84 0.00 0.00 39.64 40.30 1x9a n ILE 86 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96