#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9a s ALA 2 N 0.00 3.50 -0.42 3.04 0.00 -1.26 -4.97 121.76 121.64 1x9a s ALA 2 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1x9a s ALA 2 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.35 1x9a s ALA 2 CO 0.00 0.27 0.52 -1.17 0.00 0.00 0.00 175.76 175.38 1x9a s LEU 3 N -0.74 4.69 -0.28 0.00 2.96 -1.26 -2.54 118.68 121.51 1x9a s LEU 3 Ca 0.33 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1x9a s LEU 3 Cb -0.20 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 43.97 1x9a s LEU 3 CO 0.21 -0.65 0.06 -0.69 -1.32 0.00 0.00 176.35 173.96 1x9a s VAL 4 N 2.41 3.86 -0.10 1.68 1.01 -0.19 -5.03 120.40 124.04 1x9a s VAL 4 Ca 0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1x9a s VAL 4 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1x9a s VAL 4 CO 0.16 0.13 -0.06 -0.76 0.00 0.00 0.00 175.10 174.56 1x9a s LEU 5 N 1.49 3.17 -0.17 3.92 1.43 -1.26 -1.09 118.68 126.17 1x9a s LEU 5 Ca 0.03 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1x9a s LEU 5 Cb -0.17 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1x9a s LEU 5 CO 0.02 0.29 -0.12 -0.69 0.23 0.00 0.00 176.35 176.08 1x9a s VAL 6 N -0.38 1.57 -0.43 -1.59 1.01 -0.55 -4.96 120.40 115.07 1x9a s VAL 6 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1x9a s VAL 6 Cb -0.12 -1.58 0.31 0.00 0.00 0.00 0.00 36.38 34.98 1x9a s VAL 6 CO 0.02 0.29 0.89 2.29 0.00 0.00 0.00 175.10 178.59 1x9a n LYS 7 N 4.74 0.92 -2.73 2.72 2.85 -1.26 -1.85 118.16 123.55 1x9a n LYS 7 Ca -0.15 -2.49 -0.01 0.00 -1.05 0.00 0.00 58.31 54.61 1x9a n LYS 7 Cb 0.48 -1.33 0.08 0.00 -0.65 0.00 0.00 35.03 33.61 1x9a n LYS 7 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x9a n TYR 8 N 0.69 -0.19 -1.97 5.58 4.01 -1.26 -4.84 117.16 119.18 1x9a n TYR 8 Ca 0.14 -1.92 0.00 0.00 -0.16 0.00 0.00 57.90 55.96 1x9a n TYR 8 Cb 0.65 0.55 0.00 0.00 -0.31 0.00 0.00 39.34 40.23 1x9a n TYR 8 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x9a n GLY 9 N -0.99 2.13 0.62 2.72 0.00 -1.24 -2.62 105.19 105.81 1x9a n GLY 9 Ca -0.04 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 0.97 1.01 2.61 -2.24 -1.26 -4.42 114.28 110.94 1x9a n THR 10 Ca 0.00 -0.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.94 1x9a n THR 10 Cb 0.00 0.52 0.61 0.00 -2.10 0.00 0.00 70.33 69.37 1x9a n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x9a n ASP 11 N 0.50 0.01 -4.26 3.42 2.03 -1.08 -4.59 116.55 112.60 1x9a n ASP 11 Ca 0.11 0.46 -0.40 0.00 0.52 0.00 0.00 54.79 55.49 1x9a n ASP 11 Cb 0.42 -0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 1x9a n ASP 11 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1x9a s HIS 12 N -2.99 3.35 0.45 -0.67 2.46 -1.20 -4.97 115.29 111.72 1x9a s HIS 12 Ca 0.14 -1.60 0.17 0.00 0.47 0.00 0.00 55.06 54.24 1x9a s HIS 12 Cb 0.19 -2.94 1.12 0.00 -0.13 0.00 0.00 32.58 30.82 1x9a s HIS 12 CO 0.53 -0.85 2.02 -1.00 -2.47 0.00 0.00 174.74 172.97 1x9a h PRO 13 N 8.36 0.00 0.00 2.88 0.13 -1.95 -2.76 132.00 138.67 1x9a h PRO 13 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1x9a h PRO 13 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x9a h PRO 13 CO 0.74 0.16 0.00 -0.24 -0.23 0.00 0.00 178.00 178.44 1x9a h VAL 14 N 0.00 0.00 -0.72 1.56 3.04 -1.98 -2.90 116.25 115.26 1x9a h VAL 14 Ca -0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 65.27 1x9a h VAL 14 Cb 0.31 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.83 1x9a h VAL 14 CO 0.02 0.00 0.34 -0.33 -1.01 0.00 0.00 177.57 176.59 1x9a h GLU 15 N 0.00 1.03 0.51 4.17 4.39 -1.89 -2.50 114.58 120.29 1x9a h GLU 15 Ca 0.00 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1x9a h GLU 15 Cb 0.45 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1x9a h GLU 15 CO 0.00 0.80 -0.35 -0.22 -1.16 0.00 0.00 179.01 178.08 1x9a h LYS 16 N 1.02 -0.80 0.00 2.33 1.63 -1.71 -2.66 116.57 116.37 1x9a h LYS 16 Ca 0.25 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1x9a h LYS 16 Cb 0.12 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1x9a h LYS 16 CO -0.03 -0.53 0.00 1.37 -3.45 0.00 0.00 179.45 176.81 1x9a h LEU 17 N -0.83 0.00 -0.64 5.20 -0.00 -1.72 0.14 115.31 117.46 1x9a h LEU 17 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 1x9a h LEU 17 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.33 1x9a h LEU 17 CO 0.03 0.00 0.23 0.11 -0.00 0.00 0.00 178.44 178.82 1x9a h LYS 18 N 0.00 0.98 -0.06 0.17 1.57 -1.21 0.18 116.57 118.20 1x9a h LYS 18 Ca 0.00 -0.19 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 1x9a h LYS 18 Cb 0.68 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1x9a h LYS 18 CO 0.00 0.84 -0.57 0.82 -0.57 0.00 0.00 179.45 179.97 1x9a h ILE 19 N 0.91 1.39 -0.46 1.86 2.04 -1.10 -3.22 117.51 118.93 1x9a h ILE 19 Ca 0.21 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1x9a h ILE 19 Cb 0.25 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1x9a h ILE 19 CO -0.01 0.58 0.16 -0.09 0.00 0.00 0.00 178.15 178.79 1x9a h ARG 20 N 0.04 0.70 -0.57 2.37 2.43 -0.61 -2.94 114.38 115.80 1x9a h ARG 20 Ca -0.06 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1x9a h ARG 20 Cb 1.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1x9a h ARG 20 CO 0.11 0.66 0.00 0.43 -1.51 0.00 0.00 179.97 179.66 1x9a n SER 21 N -4.56 5.35 -4.78 -3.80 7.64 0.04 -4.90 113.62 108.61 1x9a n SER 21 Ca 0.01 -2.81 -0.31 0.00 1.01 0.00 0.00 58.87 56.76 1x9a n SER 21 Cb 0.17 -0.65 0.07 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.53 2.42 0.36 -0.43 0.00 -1.11 -5.03 121.76 115.44 1x9a s ALA 22 Ca 0.53 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 1x9a s ALA 22 Cb 0.39 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1x9a s ALA 22 CO 0.18 -1.50 0.61 0.15 0.00 0.00 0.00 175.76 175.19 1x9a s LYS 23 N -4.76 3.56 0.00 0.00 -0.14 -1.26 -4.66 119.74 112.47 1x9a s LYS 23 Ca 0.61 -0.06 0.09 0.00 -1.36 0.00 0.00 55.97 55.25 1x9a s LYS 23 Cb -0.17 -2.58 0.54 0.00 -1.68 0.00 0.00 37.83 33.94 1x9a s LYS 23 CO 0.52 0.09 1.03 0.00 -0.76 0.00 0.00 175.35 176.23 1x9a n ALA 24 N -1.56 2.12 0.05 5.17 0.00 -1.26 -2.02 120.51 123.02 1x9a n ALA 24 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1x9a n ALA 24 Cb 0.55 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.75 1.67 -3.69 0.00 -0.58 -1.26 -4.69 120.64 111.33 1x9a n GLU 25 Ca 0.07 -1.44 -0.24 0.00 -0.42 0.00 0.00 57.16 55.13 1x9a n GLU 25 Cb 0.03 -1.14 -0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1x9a n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x9a s ASP 26 N -0.81 4.79 -0.05 1.62 1.01 -0.86 -0.34 116.67 122.03 1x9a s ASP 26 Ca 0.11 -1.07 0.05 0.00 0.71 0.00 0.00 52.55 52.35 1x9a s ASP 26 Cb 0.06 0.15 -0.00 0.00 1.01 0.00 0.00 42.92 44.14 1x9a s ASP 26 CO 0.09 -1.02 -0.19 -0.54 0.21 0.00 0.00 175.17 173.72 1x9a s LYS 27 N -4.29 2.00 -0.10 8.23 1.02 -1.05 -1.55 119.74 123.99 1x9a s LYS 27 Ca 0.42 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.75 1x9a s LYS 27 Cb -0.03 -1.70 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1x9a s LYS 27 CO 0.25 0.25 -0.12 0.42 -0.92 0.00 0.00 175.35 175.23 1x9a s ILE 28 N 0.05 1.27 -0.11 2.17 1.01 0.50 -1.02 121.20 125.08 1x9a s ILE 28 Ca -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1x9a s ILE 28 Cb -0.13 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1x9a s ILE 28 CO 0.03 0.40 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 1x9a s VAL 29 N 1.10 2.30 -0.27 2.92 1.01 -0.25 -0.69 120.40 126.53 1x9a s VAL 29 Ca -0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1x9a s VAL 29 Cb -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1x9a s VAL 29 CO -0.02 0.55 0.19 -0.76 0.00 0.00 0.00 175.10 175.06 1x9a s LEU 30 N 0.34 4.05 0.01 3.92 2.01 0.40 -1.48 118.68 127.93 1x9a s LEU 30 Ca -0.17 0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.03 1x9a s LEU 30 Cb -0.17 -2.13 -0.01 0.00 0.01 0.00 0.00 46.19 43.88 1x9a s LEU 30 CO 0.08 -0.02 -0.06 -0.51 1.01 0.00 0.00 176.35 176.85 1x9a s ILE 31 N 1.57 0.43 0.00 -0.59 1.10 -0.77 -2.19 121.20 120.75 1x9a s ILE 31 Ca 0.08 -0.42 0.00 0.00 -0.51 0.00 0.00 60.65 59.80 1x9a s ILE 31 Cb -0.15 -0.40 0.00 0.00 0.15 0.00 0.00 42.46 42.05 1x9a s ILE 31 CO 0.09 -0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.92 1x9a n GLN 32 N 2.61 0.00 0.00 3.50 6.02 -1.26 -1.10 117.38 127.14 1x9a n GLN 32 Ca -0.15 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.94 1x9a n GLN 32 Cb 0.57 0.00 0.54 0.00 1.02 0.00 0.00 30.24 32.38 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 7.09 0.00 0.18 1.08 3.02 -1.26 -2.51 115.26 122.85 1x9a n ASN 33 Ca 0.00 -0.01 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 1x9a n ASN 33 Cb 0.00 -0.29 0.59 0.00 -0.61 0.00 0.00 39.78 39.47 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 3.57 0.00 2.00 7.41 0.00 -1.31 -2.81 103.07 111.93 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 -1.73 116.25 115.95 1x9a h VAL 35 Ca 0.00 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.36 1x9a h VAL 35 Cb 0.33 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1x9a h VAL 35 CO 0.00 0.00 -0.07 -0.26 -1.23 0.00 0.00 177.57 176.01 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.77 -0.53 116.94 119.87 1x9a h PHE 36 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1x9a h PHE 36 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1x9a h PHE 36 CO 0.00 0.07 -0.04 -1.49 -0.60 0.00 0.00 178.31 176.25 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.56 -3.03 115.95 114.87 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 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1x9a h TRP 37 CO 0.00 0.04 0.00 0.00 -3.56 0.00 0.00 178.44 174.92 1x9a n ALA 38 N -2.11 2.03 0.28 1.49 0.00 -0.21 -3.02 120.51 118.96 1x9a n ALA 38 Ca 0.03 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1x9a n ALA 38 Cb 0.46 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.60 0.28 0.00 0.00 4.77 -1.14 -1.19 117.00 118.12 1x9a n LEU 39 Ca 0.05 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1x9a n LEU 39 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1x9a n LEU 39 CO 0.21 0.07 0.00 -1.84 -1.33 0.00 0.00 177.39 174.51 1x9a n GLU 40 N -2.03 2.11 -1.05 3.23 0.28 -1.17 -4.78 120.64 117.24 1x9a n GLU 40 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.83 1x9a n GLU 40 Cb 0.49 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.56 1x9a n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1x9a n GLU 41 N -0.04 2.17 -1.67 3.44 4.07 -1.26 -4.91 120.64 122.43 1x9a n GLU 41 Ca 0.00 -3.09 -0.45 0.00 -0.06 0.00 0.00 57.16 53.56 1x9a n GLU 41 Cb 0.00 -2.04 -0.04 0.00 -0.06 0.00 0.00 31.44 29.31 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 -1.08 3.17 -3.97 4.31 -0.00 -1.26 -4.98 117.00 113.18 1x9a n LEU 42 Ca 0.48 1.10 -0.31 0.00 -0.00 0.00 0.00 56.01 57.29 1x9a n LEU 42 Cb 1.40 -1.44 -0.15 0.00 -0.00 0.00 0.00 43.42 43.23 1x9a n LEU 42 CO 0.43 -0.32 -0.43 -1.61 -0.00 0.00 0.00 177.39 175.45 1x9a s GLU 43 N 0.43 1.80 0.02 1.47 2.02 -1.26 -5.11 118.70 118.06 1x9a s GLU 43 Ca 0.75 -1.06 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1x9a s GLU 43 Cb -0.66 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1x9a s GLU 43 CO 0.42 -0.58 -0.06 -0.08 0.02 0.00 0.00 175.26 174.99 1x9a s THR 44 N 1.33 0.42 -1.57 3.63 -1.32 -1.26 -4.70 115.64 112.17 1x9a s THR 44 Ca -0.06 -0.64 0.29 0.00 -1.21 0.00 0.00 61.69 60.06 1x9a s THR 44 Cb -0.19 -0.44 0.44 0.00 -1.51 0.00 0.00 72.50 70.81 1x9a s THR 44 CO -0.06 -0.16 1.88 -0.81 -2.21 0.00 0.00 174.62 173.25 1x9a n PRO 45 N 2.19 0.61 -2.14 7.08 -0.04 -1.26 -4.90 135.00 136.53 1x9a n PRO 45 Ca -0.18 -0.18 -0.27 0.00 -0.04 0.00 0.00 63.50 62.83 1x9a n PRO 45 Cb 0.56 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -2.52 2.99 -0.66 0.55 0.00 -1.23 -4.19 121.76 116.69 1x9a s ALA 46 Ca 0.28 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 1x9a s ALA 46 Cb 0.20 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.71 1x9a s ALA 46 CO 0.48 -1.53 1.21 0.15 0.00 0.00 0.00 175.76 176.07 1x9a s LYS 47 N -5.38 3.31 -0.25 0.00 -0.14 -0.60 -4.91 119.74 111.77 1x9a s LYS 47 Ca 0.63 -0.10 -0.12 0.00 -1.36 0.00 0.00 55.97 55.02 1x9a s LYS 47 Cb -0.09 -4.11 -0.05 0.00 -1.68 0.00 0.00 37.83 31.89 1x9a s LYS 47 CO 0.47 -1.91 0.22 0.54 -0.76 0.00 0.00 175.35 173.90 1x9a s VAL 48 N 5.23 5.31 -0.01 3.17 0.11 -1.26 -0.37 120.40 132.58 1x9a s VAL 48 Ca 0.37 0.29 0.02 0.00 -2.93 0.00 0.00 61.98 59.73 1x9a s VAL 48 Cb -0.09 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1x9a s VAL 48 CO 0.19 0.30 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.87 1x9a s TYR 49 N 1.33 0.73 -0.04 1.54 2.02 0.14 -4.34 117.35 118.73 1x9a s TYR 49 Ca 0.10 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1x9a s TYR 49 Cb -0.14 -0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1x9a s TYR 49 CO 0.07 -0.04 -0.09 0.00 -1.57 0.00 0.00 175.55 173.93 1x9a s ALA 50 N -0.05 2.92 -0.16 3.71 0.00 -0.60 -0.45 121.76 127.12 1x9a s ALA 50 Ca 0.01 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1x9a s ALA 50 Cb -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1x9a s ALA 50 CO -0.00 0.58 1.50 0.42 0.00 0.00 0.00 175.76 178.26 1x9a s ILE 51 N -0.86 3.87 0.03 0.00 1.01 -0.93 -1.13 121.20 123.19 1x9a s ILE 51 Ca 0.14 1.03 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 1x9a s ILE 51 Cb -0.11 -3.76 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1x9a s ILE 51 CO 0.03 -0.20 1.43 0.50 0.00 0.00 0.00 174.94 176.71 1x9a h LYS 52 N 9.51 -0.22 -0.65 2.79 3.64 0.05 0.26 116.57 131.94 1x9a h LYS 52 Ca -0.33 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1x9a h LYS 52 Cb 1.14 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1x9a h LYS 52 CO 0.98 0.05 0.32 -0.44 -2.27 0.00 0.00 179.45 178.08 1x9a h ASP 53 N -0.48 0.41 0.17 4.20 3.32 -1.92 0.10 116.42 122.24 1x9a h ASP 53 Ca -0.02 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 1x9a h ASP 53 Cb 0.37 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1x9a h ASP 53 CO 0.04 0.25 -0.68 -0.78 -1.72 0.00 0.00 179.24 176.35 1x9a h ASP 54 N 0.56 0.54 -0.30 6.45 3.58 -1.89 -2.07 116.42 123.29 1x9a h ASP 54 Ca 0.32 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.35 1x9a h ASP 54 Cb 0.31 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1x9a h ASP 54 CO -0.25 1.07 -0.13 0.15 -2.88 0.00 0.00 179.24 177.20 1x9a h PHE 55 N 0.33 0.71 0.00 0.28 3.57 0.39 -2.42 116.94 119.80 1x9a h PHE 55 Ca -0.02 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.23 1x9a h PHE 55 Cb 1.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1x9a h PHE 55 CO 0.05 0.84 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.55 1x9a h LEU 56 N 0.38 0.00 -1.66 0.59 -0.00 -0.85 -2.43 115.31 111.34 1x9a h LEU 56 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1x9a h LEU 56 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1x9a h LEU 56 CO 0.04 0.34 -0.13 0.00 -0.00 0.00 0.00 178.44 178.69 1x9a h ALA 57 N 1.66 1.14 0.00 1.53 0.00 -0.89 -1.89 119.26 120.80 1x9a h ALA 57 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x9a h ALA 57 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x9a h ALA 57 CO 0.04 0.16 0.00 0.54 0.00 0.00 0.00 179.25 180.00 1x9a n ARG 58 N -3.44 0.21 0.00 0.00 5.12 -0.92 -4.85 116.66 112.78 1x9a n ARG 58 Ca -0.01 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1x9a n ARG 58 Cb 0.30 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 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 0.11 1.02 3.96 -0.13 0.00 -0.71 -5.10 105.19 104.35 1x9a n GLY 59 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 2.65 0.24 1.61 1.51 -1.25 -5.08 117.35 115.04 1x9a s TYR 60 Ca 0.00 -0.47 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1x9a s TYR 60 Cb 0.00 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1x9a s TYR 60 CO 0.00 -0.37 0.10 -1.12 -1.11 0.00 0.00 175.55 173.05 1x9a s SER 61 N -4.29 5.10 0.37 2.29 0.01 -1.26 -4.44 113.70 111.47 1x9a s SER 61 Ca 0.53 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.46 1x9a s SER 61 Cb -0.07 -1.17 0.81 0.00 0.21 0.00 0.00 66.02 65.80 1x9a s SER 61 CO 0.31 -0.01 1.94 -0.33 0.41 0.00 0.00 173.24 175.57 1x9a h GLU 62 N 1.80 0.66 0.00 12.44 5.08 -1.97 -0.22 114.58 132.38 1x9a h GLU 62 Ca -0.47 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1x9a h GLU 62 Cb 1.24 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x9a h GLU 62 CO 0.60 0.44 -0.13 1.49 -1.00 0.00 0.00 179.01 180.41 1x9a h GLU 63 N 0.68 0.00 -0.31 2.33 4.81 -2.00 -2.64 114.58 117.45 1x9a h GLU 63 Ca 0.34 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1x9a h GLU 63 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1x9a h GLU 63 CO -0.12 0.13 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.81 1x9a h ASP 64 N 0.00 0.46 -3.94 1.04 3.32 -1.42 -3.44 116.42 112.44 1x9a h ASP 64 Ca -0.00 -0.09 -0.48 0.00 0.02 0.00 0.00 57.03 56.47 1x9a h ASP 64 Cb 0.27 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1x9a h ASP 64 CO 0.02 0.56 0.41 -0.55 -1.72 0.00 0.00 179.24 177.96 1x9a s SER 65 N -6.76 6.87 -0.10 6.45 0.15 -1.00 -4.82 113.70 114.50 1x9a s SER 65 Ca -0.07 2.04 0.12 0.00 0.70 0.00 0.00 55.95 58.73 1x9a s SER 65 Cb 0.15 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.64 1x9a s SER 65 CO 0.76 -0.41 0.46 1.17 1.20 0.00 0.00 173.24 176.43 1x9a n LYS 66 N 0.12 0.66 -3.26 5.44 4.81 -0.34 -4.97 118.16 120.62 1x9a n LYS 66 Ca 0.04 0.22 -0.19 0.00 -0.87 0.00 0.00 58.31 57.50 1x9a n LYS 66 Cb 0.49 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.57 3.78 0.41 3.15 -7.23 -1.22 -5.07 120.40 111.65 1x9a s VAL 67 Ca -0.09 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 58.93 1x9a s VAL 67 Cb 0.07 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 1x9a s VAL 67 CO 0.81 -0.14 1.33 -2.84 -0.31 0.00 0.00 175.10 173.95 1x9a s PRO 68 N -4.30 3.92 -0.10 4.82 0.02 -1.26 -4.86 135.00 133.25 1x9a s PRO 68 Ca 0.48 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.70 1x9a s PRO 68 Cb -0.10 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 1x9a s PRO 68 CO 0.33 -0.55 0.00 -0.51 -0.33 0.00 0.00 177.00 175.94 1x9a s LEU 69 N -2.47 3.56 0.17 -5.54 2.01 -1.26 -1.56 118.68 113.59 1x9a s LEU 69 Ca 0.57 0.12 0.09 0.00 0.01 0.00 0.00 54.13 54.93 1x9a s LEU 69 Cb -0.39 -1.82 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1x9a s LEU 69 CO 0.51 0.35 -0.15 0.27 1.01 0.00 0.00 176.35 178.34 1x9a s ILE 70 N -0.72 2.90 0.37 -0.59 -0.00 -0.28 -4.78 121.20 118.10 1x9a s ILE 70 Ca 0.11 -1.71 0.07 0.00 -0.00 0.00 0.00 60.65 59.12 1x9a s ILE 70 Cb -0.12 -2.40 -0.00 0.00 -0.00 0.00 0.00 42.46 39.94 1x9a s ILE 70 CO 0.02 -0.06 0.51 -0.89 -0.00 0.00 0.00 174.94 174.53 1x9a s THR 71 N -1.55 3.71 0.33 8.37 2.01 -1.26 0.77 115.64 128.02 1x9a s THR 71 Ca 0.22 -0.97 0.11 0.00 0.31 0.00 0.00 61.69 61.36 1x9a s THR 71 Cb -0.09 -3.28 0.32 0.00 0.01 0.00 0.00 72.50 69.46 1x9a s THR 71 CO 0.13 -0.11 1.68 0.10 -0.69 0.00 0.00 174.62 175.72 1x9a h TYR 72 N 0.78 0.86 -0.51 4.92 -0.00 -1.99 0.35 116.97 121.38 1x9a h TYR 72 Ca -0.44 0.04 -0.05 0.00 -0.00 0.00 0.00 58.73 58.28 1x9a h TYR 72 Cb 1.26 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 37.75 1x9a h TYR 72 CO 0.42 -0.12 0.12 1.03 -0.00 0.00 0.00 178.16 179.61 1x9a h SER 73 N 0.37 0.78 0.84 0.10 0.87 -2.00 -2.71 113.55 111.79 1x9a h SER 73 Ca 0.68 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.89 1x9a h SER 73 Cb 1.47 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1x9a h SER 73 CO -0.58 0.81 -0.56 -0.33 -0.53 0.00 0.00 176.83 175.64 1x9a h GLU 74 N 0.71 0.00 -0.32 2.24 5.08 -0.82 -2.49 114.58 118.97 1x9a h GLU 74 Ca 0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1x9a h GLU 74 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1x9a h GLU 74 CO 0.00 0.56 0.00 0.35 -1.00 0.00 0.00 179.01 178.92 1x9a h PHE 75 N 0.00 0.62 -0.67 4.33 3.04 -0.48 0.29 116.94 124.06 1x9a h PHE 75 Ca -0.01 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.88 1x9a h PHE 75 Cb 1.13 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.43 1x9a h PHE 75 CO 0.00 0.69 0.41 0.82 -2.02 0.00 0.00 178.31 178.20 1x9a h ILE 76 N 0.37 1.06 -0.17 1.41 5.03 -1.35 -2.16 117.51 121.69 1x9a h ILE 76 Ca 0.09 -0.27 -0.08 0.00 -0.12 0.00 0.00 64.86 64.48 1x9a h ILE 76 Cb 0.44 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.42 1x9a h ILE 76 CO 0.02 0.14 -0.26 0.44 -0.68 0.00 0.00 178.15 177.81 1x9a h ASP 77 N 0.78 0.31 -0.46 1.72 5.19 -1.09 -2.00 116.42 120.88 1x9a h ASP 77 Ca 0.28 -0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 1x9a h ASP 77 Cb 0.06 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.43 1x9a h ASP 77 CO -0.12 0.58 0.13 0.17 -3.12 0.00 0.00 179.24 176.87 1x9a h LEU 78 N 0.28 0.10 -0.86 1.55 8.10 0.19 0.37 115.31 125.05 1x9a h LEU 78 Ca 0.04 0.06 -0.06 0.00 0.11 0.00 0.00 57.88 58.04 1x9a h LEU 78 Cb 0.61 0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1x9a h LEU 78 CO 0.04 0.09 -0.29 0.25 -4.11 0.00 0.00 178.44 174.42 1x9a h LEU 79 N 0.29 0.00 0.38 0.17 5.85 -1.05 -2.55 115.31 118.39 1x9a h LEU 79 Ca 0.22 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1x9a h LEU 79 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1x9a h LEU 79 CO -0.25 0.29 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.88 1x9a h GLU 80 N 0.00 -0.49 0.00 1.25 4.22 -0.78 -3.49 114.58 115.29 1x9a h GLU 80 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1x9a h GLU 80 Cb 0.89 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1x9a h GLU 80 CO 0.04 -0.20 0.00 0.41 -2.18 0.00 0.00 179.01 177.08 1x9a n GLY 81 N 0.14 2.18 0.00 1.92 0.00 0.13 -4.73 105.19 104.83 1x9a n GLY 81 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.00 0.09 1.61 2.13 -1.26 -4.80 120.64 118.41 1x9a n GLU 82 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1x9a n GLU 82 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 -4.72 5.31 4.81 -1.96 -3.49 114.58 114.54 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 0.23 -0.60 0.36 -0.73 0.00 0.00 179.01 178.27 1x9a n LYS 84 N -2.91 -0.29 -3.06 1.92 2.85 -1.26 -4.90 118.16 110.50 1x9a n LYS 84 Ca -0.04 0.59 -0.41 0.00 -1.05 0.00 0.00 58.31 57.40 1x9a n LYS 84 Cb 0.72 -0.67 -0.00 0.00 -0.65 0.00 0.00 35.03 34.43 1x9a n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1x9a n PHE 85 N 1.21 2.51 -0.20 5.58 7.35 -1.26 -4.64 117.46 128.01 1x9a n PHE 85 Ca 0.00 -2.80 0.00 0.00 -0.76 0.00 0.00 57.45 53.90 1x9a n PHE 85 Cb 0.30 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 38.94 1x9a n PHE 85 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1x9a n ILE 86 N 1.32 0.85 0.74 -2.13 5.41 -1.26 -5.25 119.36 119.04 1x9a n ILE 86 Ca 0.26 -0.86 0.06 0.00 1.00 0.00 0.00 62.75 63.21 1x9a n ILE 86 Cb 0.34 0.56 0.35 0.00 -0.71 0.00 0.00 39.64 40.19 1x9a n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16