#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 1.45 -0.28 3.04 0.00 -1.26 -5.09 121.76 119.62 1x9a s ALA 2 Ca 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1x9a s ALA 2 Cb 0.00 -1.54 0.09 0.00 0.00 0.00 0.00 23.12 21.67 1x9a s ALA 2 CO 0.00 -1.57 0.07 -1.17 0.00 0.00 0.00 175.76 173.09 1x9a s LEU 3 N 1.66 2.14 -0.26 0.00 2.96 -1.26 -2.16 118.68 121.76 1x9a s LEU 3 Ca 0.07 -1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 52.48 1x9a s LEU 3 Cb -0.17 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1x9a s LEU 3 CO -0.22 -0.38 0.02 -0.69 -1.32 0.00 0.00 176.35 173.77 1x9a s VAL 4 N 1.62 3.68 -0.17 1.68 1.01 0.76 -5.00 120.40 123.98 1x9a s VAL 4 Ca 0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1x9a s VAL 4 Cb -0.17 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1x9a s VAL 4 CO -0.20 0.23 -0.00 -0.76 0.00 0.00 0.00 175.10 174.37 1x9a s LEU 5 N 1.48 3.42 -0.14 3.92 1.43 -1.26 -0.49 118.68 127.04 1x9a s LEU 5 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1x9a s LEU 5 Cb -0.16 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1x9a s LEU 5 CO -0.00 0.16 -0.13 -0.69 0.23 0.00 0.00 176.35 175.92 1x9a s VAL 6 N 0.42 1.48 -0.43 -1.59 1.01 -0.22 -4.94 120.40 116.12 1x9a s VAL 6 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1x9a s VAL 6 Cb -0.14 -1.40 0.24 0.00 0.00 0.00 0.00 36.38 35.08 1x9a s VAL 6 CO 0.02 0.44 0.63 2.29 0.00 0.00 0.00 175.10 178.48 1x9a n LYS 7 N 4.77 0.67 -4.00 2.72 2.85 -1.26 -2.14 118.16 121.77 1x9a n LYS 7 Ca -0.16 -2.70 -0.08 0.00 -1.05 0.00 0.00 58.31 54.32 1x9a n LYS 7 Cb 0.50 -1.35 -0.10 0.00 -0.65 0.00 0.00 35.03 33.43 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 -0.36 0.33 0.86 5.58 2.02 -1.26 -4.70 117.35 119.81 1x9a s TYR 8 Ca 0.34 -0.71 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1x9a s TYR 8 Cb 0.16 -0.24 0.11 0.00 -0.40 0.00 0.00 41.96 41.59 1x9a s TYR 8 CO -0.16 -0.32 1.10 0.20 -1.57 0.00 0.00 175.55 174.80 1x9a s GLY 9 N -2.19 1.65 -0.79 0.71 0.00 -1.26 -3.53 107.32 101.91 1x9a s GLY 9 Ca -0.04 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 1x9a s GLY 9 CO -0.05 0.58 1.96 -1.30 0.00 0.00 0.00 173.10 174.28 1x9a n THR 10 N -3.83 1.97 0.00 0.90 -2.24 -1.26 -2.69 114.28 107.13 1x9a n THR 10 Ca 0.08 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 1x9a n THR 10 Cb 0.54 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 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 6.11 0.00 -4.58 3.42 2.03 -1.26 -5.04 116.55 117.23 1x9a n ASP 11 Ca 0.46 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.35 1x9a n ASP 11 Cb 0.28 0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 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 -1.03 2.17 0.10 -0.67 2.46 -1.09 -4.89 115.29 112.33 1x9a s HIS 12 Ca 0.00 0.59 0.14 0.00 0.47 0.00 0.00 55.06 56.26 1x9a s HIS 12 Cb 0.00 -4.30 0.30 0.00 -0.13 0.00 0.00 32.58 28.45 1x9a s HIS 12 CO 0.00 -2.16 1.55 -1.00 -2.47 0.00 0.00 174.74 170.66 1x9a h PRO 13 N 11.70 0.00 0.00 2.88 0.13 -1.96 -3.29 132.00 141.46 1x9a h PRO 13 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1x9a h PRO 13 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1x9a h PRO 13 CO 1.14 0.57 -0.14 -0.24 -0.23 0.00 0.00 178.00 179.09 1x9a h VAL 14 N 0.00 1.00 -0.33 1.56 3.04 -2.00 -1.18 116.25 118.34 1x9a h VAL 14 Ca -0.01 -0.51 -0.03 0.00 -1.01 0.00 0.00 66.70 65.15 1x9a h VAL 14 Cb 1.22 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 1x9a h VAL 14 CO 0.07 0.14 0.09 -0.33 -1.01 0.00 0.00 177.57 176.53 1x9a h GLU 15 N 0.00 0.48 0.20 4.17 3.07 -1.99 -2.34 114.58 118.16 1x9a h GLU 15 Ca -0.00 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1x9a h GLU 15 Cb 0.27 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1x9a h GLU 15 CO 0.02 0.44 -0.10 -0.22 -1.40 0.00 0.00 179.01 177.75 1x9a h LYS 16 N 0.47 -0.26 0.00 2.33 1.63 -1.43 -1.30 116.57 118.02 1x9a h LYS 16 Ca 0.11 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1x9a h LYS 16 Cb 0.17 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1x9a h LYS 16 CO -0.01 0.01 0.00 1.37 -3.45 0.00 0.00 179.45 177.37 1x9a h LEU 17 N -0.51 0.00 -0.29 5.20 -0.00 -1.63 -1.34 115.31 116.74 1x9a h LEU 17 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.72 1x9a h LEU 17 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1x9a h LEU 17 CO 0.04 0.00 -0.33 0.11 -0.00 0.00 0.00 178.44 178.27 1x9a h LYS 18 N 0.00 0.74 -0.39 0.17 1.57 -1.14 0.18 116.57 117.70 1x9a h LYS 18 Ca 0.00 -0.41 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 1x9a h LYS 18 Cb 0.66 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1x9a h LYS 18 CO 0.00 1.03 -0.14 0.82 -0.57 0.00 0.00 179.45 180.58 1x9a h ILE 19 N 0.49 1.26 -0.45 1.86 2.04 -0.92 -2.65 117.51 119.14 1x9a h ILE 19 Ca 0.04 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.60 1x9a h ILE 19 Cb 0.91 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1x9a h ILE 19 CO 0.08 0.40 -0.15 0.03 0.00 0.00 0.00 178.15 178.51 1x9a h ARG 20 N 0.65 0.90 -0.84 2.37 3.08 -1.13 -3.04 114.38 116.37 1x9a h ARG 20 Ca 0.11 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 1x9a h ARG 20 Cb 0.61 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1x9a h ARG 20 CO 0.04 1.02 0.08 0.43 -1.07 0.00 0.00 179.97 180.47 1x9a n SER 21 N -4.21 3.45 -4.67 7.04 7.64 0.61 -4.84 113.62 118.63 1x9a n SER 21 Ca -0.00 -2.57 -0.29 0.00 1.01 0.00 0.00 58.87 57.02 1x9a n SER 21 Cb 0.41 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.87 1.00 0.41 -0.43 0.00 -1.01 -5.00 121.76 114.86 1x9a s ALA 22 Ca 0.29 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1x9a s ALA 22 Cb 0.22 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1x9a s ALA 22 CO 0.08 -2.79 0.42 0.15 0.00 0.00 0.00 175.76 173.61 1x9a s LYS 23 N -4.92 2.63 0.31 0.00 1.02 -1.26 -4.74 119.74 112.78 1x9a s LYS 23 Ca 0.65 -1.44 0.13 0.00 0.02 0.00 0.00 55.97 55.33 1x9a s LYS 23 Cb -0.19 -2.48 0.49 0.00 -0.52 0.00 0.00 37.83 35.13 1x9a s LYS 23 CO 0.58 -0.18 1.68 0.00 -0.92 0.00 0.00 175.35 176.51 1x9a h ALA 24 N 0.96 1.05 -0.59 5.17 0.00 -1.97 -2.54 119.26 121.33 1x9a h ALA 24 Ca -0.41 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1x9a h ALA 24 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x9a h ALA 24 CO 0.55 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 179.60 1x9a n GLU 25 N -3.79 3.30 -3.26 0.00 0.00 -1.26 -4.63 120.64 111.00 1x9a n GLU 25 Ca -0.01 -2.70 -0.35 0.00 0.00 0.00 0.00 57.16 54.10 1x9a n GLU 25 Cb 0.56 -1.71 -0.06 0.00 0.00 0.00 0.00 31.44 30.23 1x9a n GLU 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1x9a s ASP 26 N -1.03 6.86 -0.07 -1.84 2.15 -0.96 -4.56 116.67 117.21 1x9a s ASP 26 Ca 0.45 1.18 0.04 0.00 0.43 0.00 0.00 52.55 54.65 1x9a s ASP 26 Cb 0.28 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 1x9a s ASP 26 CO 0.24 0.02 -0.19 -0.54 -0.17 0.00 0.00 175.17 174.53 1x9a s LYS 27 N -2.22 2.29 -0.04 4.34 1.02 -0.92 -0.44 119.74 123.77 1x9a s LYS 27 Ca 0.43 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1x9a s LYS 27 Cb -0.14 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1x9a s LYS 27 CO 0.20 0.17 -0.23 0.42 -0.92 0.00 0.00 175.35 174.99 1x9a s ILE 28 N 0.33 2.32 -0.13 2.17 1.01 -0.42 -0.17 121.20 126.30 1x9a s ILE 28 Ca -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1x9a s ILE 28 Cb -0.15 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1x9a s ILE 28 CO 0.05 0.58 -0.20 -0.69 0.00 0.00 0.00 174.94 174.68 1x9a s VAL 29 N -0.49 2.32 -0.29 2.92 1.01 0.36 -0.19 120.40 126.05 1x9a s VAL 29 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1x9a s VAL 29 Cb -0.11 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1x9a s VAL 29 CO 0.01 0.54 0.18 -0.76 0.00 0.00 0.00 175.10 175.07 1x9a s LEU 30 N 0.56 4.01 0.02 3.92 2.01 -0.22 -1.06 118.68 127.93 1x9a s LEU 30 Ca -0.12 -0.11 -0.06 0.00 0.01 0.00 0.00 54.13 53.85 1x9a s LEU 30 Cb -0.16 -2.09 -0.01 0.00 0.01 0.00 0.00 46.19 43.94 1x9a s LEU 30 CO 0.04 -0.08 0.10 -0.51 1.01 0.00 0.00 176.35 176.91 1x9a s ILE 31 N 1.73 0.11 0.00 -0.59 1.10 -0.91 -2.08 121.20 120.56 1x9a s ILE 31 Ca 0.07 -0.90 0.00 0.00 -0.51 0.00 0.00 60.65 59.31 1x9a s ILE 31 Cb -0.16 -0.61 0.00 0.00 0.15 0.00 0.00 42.46 41.84 1x9a s ILE 31 CO 0.10 -0.49 0.00 0.00 -2.11 0.00 0.00 174.94 172.43 1x9a n GLN 32 N 1.17 0.00 0.00 3.50 6.02 -1.26 -1.09 117.38 125.72 1x9a n GLN 32 Ca -0.21 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.87 1x9a n GLN 32 Cb 0.57 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.28 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 6.78 0.00 0.21 1.08 3.02 -1.26 -2.52 115.26 122.57 1x9a n ASN 33 Ca 0.00 0.10 0.15 0.00 -0.03 0.00 0.00 54.58 54.80 1x9a n ASN 33 Cb 0.00 -0.32 0.65 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 3.06 0.00 2.00 7.41 0.00 -1.15 -2.77 103.07 111.62 1x9a h GLY 34 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1x9a h GLY 34 CO 0.00 0.00 -0.08 -0.39 0.00 0.00 0.00 176.54 176.07 1x9a h VAL 35 N 0.00 0.47 0.00 4.60 -1.51 -1.67 -1.88 116.25 116.26 1x9a h VAL 35 Ca 0.00 -0.38 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 1x9a h VAL 35 Cb 0.34 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1x9a h VAL 35 CO 0.00 0.08 -0.19 -0.26 -1.23 0.00 0.00 177.57 175.97 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.75 -2.33 116.94 118.09 1x9a h PHE 36 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1x9a h PHE 36 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1x9a h PHE 36 CO 0.00 0.19 -0.32 -1.49 -0.60 0.00 0.00 178.31 176.08 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.54 -3.19 115.95 114.73 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 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1x9a h TRP 37 CO 0.00 0.32 0.00 0.00 -3.56 0.00 0.00 178.44 175.20 1x9a n ALA 38 N -2.19 1.97 0.29 1.49 0.00 -0.88 -2.86 120.51 118.34 1x9a n ALA 38 Ca 0.02 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1x9a n ALA 38 Cb 0.63 -1.36 0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.62 2.46 -4.21 0.00 4.77 -1.20 -0.42 117.00 116.78 1x9a n LEU 39 Ca 0.05 -1.34 -0.20 0.00 -0.03 0.00 0.00 56.01 54.49 1x9a n LEU 39 Cb 0.26 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1x9a n LEU 39 CO 0.21 0.52 -0.47 -1.83 -1.33 0.00 0.00 177.39 174.49 1x9a s GLU 40 N -1.08 0.91 0.00 3.23 4.04 -1.13 -4.87 118.70 119.80 1x9a s GLU 40 Ca 0.20 -1.03 0.00 0.00 0.04 0.00 0.00 54.97 54.18 1x9a s GLU 40 Cb 0.12 -0.97 0.00 0.00 0.02 0.00 0.00 34.13 33.30 1x9a s GLU 40 CO 0.18 0.22 0.00 -1.91 -1.84 0.00 0.00 175.26 171.90 1x9a n GLU 41 N 1.16 0.00 -1.53 -4.83 0.00 -1.26 -4.76 120.64 109.42 1x9a n GLU 41 Ca -0.20 0.00 -0.55 0.00 0.00 0.00 0.00 57.16 56.41 1x9a n GLU 41 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.92 1x9a n GLU 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1x9a n LEU 42 N 0.00 0.59 -4.20 4.31 -0.00 -1.26 -5.01 117.00 111.43 1x9a n LEU 42 Ca 0.00 1.14 -0.25 0.00 -0.00 0.00 0.00 56.01 56.90 1x9a n LEU 42 Cb 0.00 -1.04 -0.15 0.00 -0.00 0.00 0.00 43.42 42.23 1x9a n LEU 42 CO 0.00 -1.66 -0.51 -1.61 -0.00 0.00 0.00 177.39 173.61 1x9a s GLU 43 N 0.00 1.47 0.03 1.47 2.02 -1.26 -5.00 118.70 117.43 1x9a s GLU 43 Ca 0.84 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1x9a s GLU 43 Cb -1.09 -1.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 1x9a s GLU 43 CO 0.53 0.39 -0.08 -0.08 0.02 0.00 0.00 175.26 176.04 1x9a s THR 44 N -0.53 0.59 -0.81 3.63 -1.32 -1.26 -4.84 115.64 111.10 1x9a s THR 44 Ca 0.07 -0.90 0.24 0.00 -1.21 0.00 0.00 61.69 59.89 1x9a s THR 44 Cb -0.08 -0.61 0.23 0.00 -1.51 0.00 0.00 72.50 70.53 1x9a s THR 44 CO -0.00 -0.23 1.74 -2.65 -2.21 0.00 0.00 174.62 171.26 1x9a n PRO 45 N 1.81 0.12 -1.83 7.08 -0.02 -1.26 -4.83 135.00 136.06 1x9a n PRO 45 Ca -0.20 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1x9a n PRO 45 Cb 0.55 -1.67 0.09 0.00 -0.02 0.00 0.00 33.50 32.45 1x9a n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x9a s ALA 46 N -3.10 2.57 -0.59 3.55 0.00 -1.20 -4.56 121.76 118.43 1x9a s ALA 46 Ca 0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.31 1x9a s ALA 46 Cb 0.13 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.33 1x9a s ALA 46 CO 0.46 -1.64 0.82 0.15 0.00 0.00 0.00 175.76 175.55 1x9a s LYS 47 N -5.46 3.13 -0.17 0.00 -0.14 0.41 -4.95 119.74 112.55 1x9a s LYS 47 Ca 0.61 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 54.26 1x9a s LYS 47 Cb -0.12 -4.18 -0.05 0.00 -1.68 0.00 0.00 37.83 31.81 1x9a s LYS 47 CO 0.51 -1.56 0.13 0.54 -0.76 0.00 0.00 175.35 174.21 1x9a s VAL 48 N 3.37 5.38 -0.03 3.17 0.11 -1.26 -1.30 120.40 129.83 1x9a s VAL 48 Ca 0.19 0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 1x9a s VAL 48 Cb -0.19 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1x9a s VAL 48 CO 0.11 0.49 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.96 1x9a s TYR 49 N -0.05 1.10 -0.10 1.54 2.02 0.74 -4.01 117.35 118.58 1x9a s TYR 49 Ca 0.10 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1x9a s TYR 49 Cb -0.11 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.63 1x9a s TYR 49 CO -0.00 -0.14 -0.07 0.00 -1.57 0.00 0.00 175.55 173.77 1x9a s ALA 50 N 0.29 2.94 -0.26 3.71 0.00 0.24 -1.05 121.76 127.61 1x9a s ALA 50 Ca -0.05 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1x9a s ALA 50 Cb -0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 1x9a s ALA 50 CO 0.01 0.43 1.46 0.42 0.00 0.00 0.00 175.76 178.08 1x9a s ILE 51 N -0.32 3.91 0.17 0.00 1.01 -0.88 -0.82 121.20 124.27 1x9a s ILE 51 Ca 0.04 1.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.61 1x9a s ILE 51 Cb -0.13 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.47 1x9a s ILE 51 CO 0.02 -0.39 1.68 0.50 0.00 0.00 0.00 174.94 176.75 1x9a h LYS 52 N 10.05 0.93 -0.22 2.79 3.64 0.18 -0.21 116.57 133.73 1x9a h LYS 52 Ca -0.30 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 58.90 1x9a h LYS 52 Cb 1.13 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1x9a h LYS 52 CO 1.02 0.86 -0.03 -0.44 -2.27 0.00 0.00 179.45 178.59 1x9a h ASP 53 N 0.83 -0.14 0.58 4.20 3.32 -1.91 0.22 116.42 123.52 1x9a h ASP 53 Ca 0.18 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 1x9a h ASP 53 Cb 0.35 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1x9a h ASP 53 CO 0.00 -0.04 -0.72 -0.78 -1.72 0.00 0.00 179.24 175.98 1x9a h ASP 54 N 0.04 0.14 -0.27 6.45 3.58 -1.90 -2.00 116.42 122.45 1x9a h ASP 54 Ca 0.10 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1x9a h ASP 54 Cb 0.14 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1x9a h ASP 54 CO -0.20 0.81 -0.26 0.15 -2.88 0.00 0.00 179.24 176.87 1x9a h PHE 55 N 0.08 0.77 0.00 0.28 3.57 -0.39 -2.82 116.94 118.43 1x9a h PHE 55 Ca -0.02 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 1x9a h PHE 55 Cb 1.27 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1x9a h PHE 55 CO 0.01 0.95 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.74 1x9a h LEU 56 N 0.37 0.00 -1.84 0.59 -0.00 -0.60 -3.01 115.31 110.83 1x9a h LEU 56 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1x9a h LEU 56 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1x9a h LEU 56 CO 0.06 0.24 -0.06 0.00 -0.00 0.00 0.00 178.44 178.68 1x9a h ALA 57 N 1.76 1.87 -0.09 1.53 0.00 -1.09 -0.75 119.26 122.48 1x9a h ALA 57 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x9a h ALA 57 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1x9a h ALA 57 CO 0.03 0.10 0.00 -2.13 0.00 0.00 0.00 179.25 177.25 1x9a n ARG 58 N -4.45 1.54 -0.78 0.00 3.00 -1.14 -4.90 116.66 109.93 1x9a n ARG 58 Ca -0.03 -0.80 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 1x9a n ARG 58 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.21 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 1.07 0.54 3.04 5.14 0.00 -0.29 -5.06 105.19 109.64 1x9a n GLY 59 Ca 0.17 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1x9a n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x9a n TYR 60 N -2.78 -3.52 -3.87 1.61 4.01 -1.20 -5.04 117.16 106.37 1x9a n TYR 60 Ca 0.00 -1.15 -0.12 0.00 -0.16 0.00 0.00 57.90 56.47 1x9a n TYR 60 Cb 0.00 -0.69 -0.13 0.00 -0.31 0.00 0.00 39.34 38.21 1x9a n TYR 60 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1x9a s SER 61 N -4.51 -0.01 0.49 7.72 0.01 -1.26 -4.65 113.70 111.49 1x9a s SER 61 Ca 0.56 0.01 0.16 0.00 1.31 0.00 0.00 55.95 57.98 1x9a s SER 61 Cb -0.02 0.10 1.18 0.00 0.21 0.00 0.00 66.02 67.49 1x9a s SER 61 CO 0.38 -0.07 2.09 -0.33 0.41 0.00 0.00 173.24 175.72 1x9a h GLU 62 N 5.81 0.00 -0.44 12.44 5.08 -1.97 -1.90 114.58 133.60 1x9a h GLU 62 Ca -0.26 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1x9a h GLU 62 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1x9a h GLU 62 CO 0.47 0.07 0.36 0.93 -1.00 0.00 0.00 179.01 179.84 1x9a h GLU 63 N 0.00 0.00 -0.00 2.33 3.07 -1.99 -0.46 114.58 117.53 1x9a h GLU 63 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x9a h GLU 63 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1x9a h GLU 63 CO 0.01 0.00 -0.71 -3.47 -1.40 0.00 0.00 179.01 173.44 1x9a n ASP 64 N -4.13 1.08 -4.77 1.42 2.03 -0.71 -4.95 116.55 106.52 1x9a n ASP 64 Ca 0.08 -0.91 -0.39 0.00 0.52 0.00 0.00 54.79 54.09 1x9a n ASP 64 Cb 0.56 0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 41.57 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 -2.86 6.97 0.00 1.67 0.01 -0.18 -4.71 113.70 114.60 1x9a s SER 65 Ca 0.12 2.30 0.22 0.00 1.31 0.00 0.00 55.95 59.91 1x9a s SER 65 Cb 0.17 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.82 1x9a s SER 65 CO 0.74 -0.36 1.08 0.29 0.41 0.00 0.00 173.24 175.40 1x9a n LYS 66 N 0.70 0.01 -4.36 12.44 5.02 0.44 -4.94 118.16 127.48 1x9a n LYS 66 Ca 0.01 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 1x9a n LYS 66 Cb 0.46 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 1x9a n LYS 66 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x9a s VAL 67 N -3.01 2.00 0.38 -0.18 -7.23 -1.25 -5.08 120.40 106.04 1x9a s VAL 67 Ca 0.09 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 58.11 1x9a s VAL 67 Cb 0.16 -1.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 1x9a s VAL 67 CO 0.81 -0.18 1.38 -2.84 -0.31 0.00 0.00 175.10 173.96 1x9a s PRO 68 N -2.54 4.06 -0.19 4.82 0.02 -1.26 -4.77 135.00 135.14 1x9a s PRO 68 Ca 0.16 2.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.42 1x9a s PRO 68 Cb -0.08 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 1x9a s PRO 68 CO 0.07 -0.48 0.12 -0.51 -0.33 0.00 0.00 177.00 175.88 1x9a s LEU 69 N -2.21 4.18 0.22 -5.54 2.01 -1.26 -0.60 118.68 115.48 1x9a s LEU 69 Ca 0.54 0.23 0.11 0.00 0.01 0.00 0.00 54.13 55.02 1x9a s LEU 69 Cb -0.42 -2.08 -0.05 0.00 0.01 0.00 0.00 46.19 43.66 1x9a s LEU 69 CO 0.55 0.20 -0.21 0.27 1.01 0.00 0.00 176.35 178.17 1x9a s ILE 70 N 0.27 2.24 0.45 -0.59 -0.00 -0.00 -4.83 121.20 118.74 1x9a s ILE 70 Ca 0.08 -2.16 0.08 0.00 -0.00 0.00 0.00 60.65 58.65 1x9a s ILE 70 Cb -0.11 -2.13 0.02 0.00 -0.00 0.00 0.00 42.46 40.24 1x9a s ILE 70 CO -0.01 -0.30 0.61 0.42 -0.00 0.00 0.00 174.94 175.66 1x9a s THR 71 N -2.16 2.85 0.54 8.37 -4.23 -1.26 0.89 115.64 120.65 1x9a s THR 71 Ca 0.23 -0.99 0.26 0.00 -1.18 0.00 0.00 61.69 60.01 1x9a s THR 71 Cb -0.06 -2.86 0.39 0.00 1.34 0.00 0.00 72.50 71.31 1x9a s THR 71 CO 0.11 0.00 2.00 0.10 -0.54 0.00 0.00 174.62 176.28 1x9a h TYR 72 N 0.55 0.00 -0.02 3.99 -0.00 -1.98 0.20 116.97 119.71 1x9a h TYR 72 Ca -0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.35 1x9a h TYR 72 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.01 1x9a h TYR 72 CO 0.40 0.00 0.01 1.03 -0.00 0.00 0.00 178.16 179.60 1x9a h SER 73 N 0.00 0.02 0.21 0.10 0.87 -2.00 -2.09 113.55 110.66 1x9a h SER 73 Ca 0.23 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1x9a h SER 73 Cb 0.98 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1x9a h SER 73 CO -0.00 0.13 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.45 1x9a h GLU 74 N -0.09 0.42 -0.75 2.24 4.39 -1.43 -2.81 114.58 116.55 1x9a h GLU 74 Ca 0.01 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 1x9a h GLU 74 Cb 0.12 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1x9a h GLU 74 CO -0.00 0.93 0.38 0.35 -1.16 0.00 0.00 179.01 179.51 1x9a h PHE 75 N 0.30 1.05 -0.05 4.33 3.57 -0.60 0.22 116.94 125.75 1x9a h PHE 75 Ca -0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1x9a h PHE 75 Cb 1.21 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1x9a h PHE 75 CO 0.04 0.75 -0.02 0.82 -2.23 0.00 0.00 178.31 177.67 1x9a h ILE 76 N 1.06 1.31 -0.42 1.41 5.03 -1.30 -2.55 117.51 122.04 1x9a h ILE 76 Ca 0.26 -0.96 -0.00 0.00 -0.12 0.00 0.00 64.86 64.04 1x9a h ILE 76 Cb 0.08 1.85 -0.02 0.00 -3.03 0.00 0.00 36.82 35.70 1x9a h ILE 76 CO -0.04 0.26 0.26 0.44 -0.68 0.00 0.00 178.15 178.40 1x9a h ASP 77 N -0.26 0.49 -0.22 1.72 3.32 -1.21 -0.92 116.42 119.33 1x9a h ASP 77 Ca 0.01 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1x9a h ASP 77 Cb 0.43 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1x9a h ASP 77 CO 0.01 0.37 -0.18 0.25 -1.72 0.00 0.00 179.24 177.97 1x9a h LEU 78 N 0.58 -0.59 -1.24 1.55 5.85 -0.47 -2.42 115.31 118.57 1x9a h LEU 78 Ca 0.15 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1x9a h LEU 78 Cb -0.03 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1x9a h LEU 78 CO -0.03 -0.22 0.00 -0.07 -0.34 0.00 0.00 178.44 177.78 1x9a h LEU 79 N -0.18 0.00 -0.78 2.25 4.07 -0.76 0.49 115.31 120.39 1x9a h LEU 79 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1x9a h LEU 79 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1x9a h LEU 79 CO -0.34 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 178.23 1x9a n GLU 80 N -2.82 0.74 -0.46 1.13 0.00 -0.90 -4.71 120.64 113.62 1x9a n GLU 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1x9a n GLU 80 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.43 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 0.15 0.75 2.72 8.31 0.00 -0.55 -2.55 105.19 114.02 1x9a n GLY 81 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.20 -1.46 -0.04 1.61 2.13 0.05 -4.73 120.64 116.00 1x9a n GLU 82 Ca 0.00 0.43 -0.04 0.00 0.66 0.00 0.00 57.16 58.21 1x9a n GLU 82 Cb 0.00 -4.55 -0.07 0.00 0.27 0.00 0.00 31.44 27.09 1x9a n GLU 82 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1x9a n GLU 83 N -0.24 2.46 -3.12 5.31 2.13 -1.23 -4.96 120.64 120.98 1x9a n GLU 83 Ca -0.01 -0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 1x9a n GLU 83 Cb 0.38 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1x9a n GLU 83 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1x9a n LYS 84 N -2.33 -0.98 -0.14 5.31 2.85 -1.06 -4.88 118.16 116.92 1x9a n LYS 84 Ca -0.15 1.19 0.10 0.00 -1.05 0.00 0.00 58.31 58.40 1x9a n LYS 84 Cb 0.79 -1.90 0.29 0.00 -0.65 0.00 0.00 35.03 33.56 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 1.06 0.38 1.64 5.58 7.35 -1.26 -3.99 117.46 128.21 1x9a n PHE 85 Ca -0.00 -0.19 0.02 0.00 -0.76 0.00 0.00 57.45 56.52 1x9a n PHE 85 Cb 0.42 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.36 1x9a n PHE 85 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1x9a n ILE 86 N 0.73 0.00 -0.77 -2.13 -5.35 -1.26 -5.27 119.36 105.31 1x9a n ILE 86 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1x9a n ILE 86 Cb 0.41 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1x9a n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40