#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi s PRO 10 N 0.00 4.24 0.00 -1.58 0.02 -1.26 -2.51 135.00 133.90 1ozi s PRO 10 Ca 0.00 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1ozi s PRO 10 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1ozi s PRO 10 CO 0.00 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1ozi n GLY 11 N 0.66 0.73 3.89 0.52 0.00 0.83 -4.95 105.19 106.87 1ozi n GLY 11 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1ozi n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozi s ASP 12 N -2.31 6.50 -0.36 1.61 2.15 -1.04 -4.80 116.67 118.41 1ozi s ASP 12 Ca 0.00 0.57 -0.19 0.00 0.43 0.00 0.00 52.55 53.36 1ozi s ASP 12 Cb 0.00 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 1ozi s ASP 12 CO 0.00 0.22 0.55 0.42 -0.17 0.00 0.00 175.17 176.18 1ozi s THR 13 N -1.36 4.98 0.19 1.71 -4.23 -1.26 -0.27 115.64 115.39 1ozi s THR 13 Ca 0.30 0.33 0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1ozi s THR 13 Cb -0.13 -4.01 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 1ozi s THR 13 CO 0.18 -0.28 -0.14 0.72 -0.54 0.00 0.00 174.62 174.56 1ozi s PHE 14 N 2.48 1.60 -0.17 3.99 -0.71 0.33 -4.98 117.98 120.53 1ozi s PHE 14 Ca 0.20 -0.61 -0.06 0.00 -1.04 0.00 0.00 56.93 55.42 1ozi s PHE 14 Cb -0.15 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.86 1ozi s PHE 14 CO 0.14 0.29 0.02 -1.21 -1.34 0.00 0.00 175.22 173.11 1ozi s GLU 15 N -3.60 3.81 -0.13 1.99 8.01 -1.26 -0.48 118.70 127.04 1ozi s GLU 15 Ca 0.20 -0.42 -0.02 0.00 0.01 0.00 0.00 54.97 54.75 1ozi s GLU 15 Cb -0.00 -3.07 -0.02 0.00 -4.31 0.00 0.00 34.13 26.72 1ozi s GLU 15 CO 0.05 0.28 -0.07 0.08 0.01 0.00 0.00 175.26 175.61 1ozi s VAL 16 N 0.30 3.60 -0.94 2.63 1.01 0.12 -4.94 120.40 122.18 1ozi s VAL 16 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1ozi s VAL 16 Cb -0.13 -2.53 0.22 0.00 0.00 0.00 0.00 36.38 33.93 1ozi s VAL 16 CO 0.01 0.53 0.95 -1.61 0.00 0.00 0.00 175.10 174.98 1ozi s GLU 17 N 0.08 3.78 -0.32 2.72 8.01 -1.26 -1.15 118.70 130.56 1ozi s GLU 17 Ca -0.02 -2.55 -0.15 0.00 0.01 0.00 0.00 54.97 52.26 1ozi s GLU 17 Cb -0.14 -4.57 -0.02 0.00 -4.31 0.00 0.00 34.13 25.09 1ozi s GLU 17 CO 0.03 -1.38 0.36 -1.17 0.01 0.00 0.00 175.26 173.11 1ozi s LEU 18 N 0.29 4.32 -0.19 1.80 1.98 0.36 -4.89 118.68 122.34 1ozi s LEU 18 Ca 0.25 -0.10 -0.17 0.00 -2.89 0.00 0.00 54.13 51.22 1ozi s LEU 18 Cb -0.09 -2.35 -0.04 0.00 0.66 0.00 0.00 46.19 44.38 1ozi s LEU 18 CO -0.08 -0.29 0.46 0.00 -1.89 0.00 0.00 176.35 174.55 1ozi s ALA 19 N 2.02 3.54 0.90 5.97 0.00 -1.26 -0.10 121.76 132.84 1ozi s ALA 19 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1ozi s ALA 19 Cb -0.16 -2.72 0.13 0.00 0.00 0.00 0.00 23.12 20.37 1ozi s ALA 19 CO 0.11 -0.34 1.09 0.15 0.00 0.00 0.00 175.76 176.77 1ozi s LYS 20 N 1.41 1.18 -0.22 0.00 1.02 0.62 -4.77 119.74 118.98 1ozi s LYS 20 Ca 0.22 0.98 0.01 0.00 0.02 0.00 0.00 55.97 57.20 1ozi s LYS 20 Cb -0.15 -1.79 0.26 0.00 -0.52 0.00 0.00 37.83 35.63 1ozi s LYS 20 CO 0.09 -2.34 1.59 2.41 -0.92 0.00 0.00 175.35 176.18 1ozi n THR 21 N -3.97 2.18 0.00 2.17 -1.04 -1.13 -4.84 114.28 107.64 1ozi n THR 21 Ca 0.08 -1.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.05 1ozi n THR 21 Cb 0.54 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1ozi n THR 21 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ozi n ASP 22 N 0.01 0.00 0.02 8.00 2.03 -1.26 -4.57 116.55 120.78 1ozi n ASP 22 Ca 0.26 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.52 1ozi n ASP 22 Cb 0.87 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 41.20 1ozi n ASP 22 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1ozi h GLY 23 N 0.00 -0.18 -0.72 0.27 0.00 -2.00 -3.50 103.07 96.94 1ozi h GLY 23 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1ozi h GLY 23 CO 0.00 -0.07 0.29 -1.26 0.00 0.00 0.00 176.54 175.50 1ozi n SER 24 N -4.88 -0.98 -4.78 0.19 2.88 -1.26 -5.14 113.62 99.64 1ozi n SER 24 Ca -0.04 -1.55 -0.39 0.00 -1.33 0.00 0.00 58.87 55.56 1ozi n SER 24 Cb 0.13 1.61 -0.06 0.00 -0.75 0.00 0.00 64.21 65.14 1ozi n SER 24 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1ozi s LEU 25 N 0.00 4.56 -0.05 2.46 1.98 -1.26 -2.83 118.68 123.53 1ozi s LEU 25 Ca 0.12 1.50 -0.02 0.00 -2.89 0.00 0.00 54.13 52.84 1ozi s LEU 25 Cb -0.02 -3.16 -0.04 0.00 0.66 0.00 0.00 46.19 43.63 1ozi s LEU 25 CO 0.04 0.22 2.46 0.61 -1.89 0.00 0.00 176.35 177.78 1ozi n GLY 26 N 1.70 2.88 3.00 7.98 0.00 -1.26 -4.82 105.19 114.67 1ozi n GLY 26 Ca -0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -0.08 0.28 -0.35 -0.61 -4.36 -1.26 -1.18 121.20 113.63 1ozi s ILE 27 Ca 0.23 -0.87 -0.07 0.00 -0.26 0.00 0.00 60.65 59.68 1ozi s ILE 27 Cb 0.13 -0.37 0.04 0.00 1.25 0.00 0.00 42.46 43.50 1ozi s ILE 27 CO -0.01 -0.39 0.13 -0.55 0.24 0.00 0.00 174.94 174.37 1ozi s SER 28 N -1.32 5.41 -0.01 4.36 0.15 0.14 -4.80 113.70 117.62 1ozi s SER 28 Ca -0.12 -1.14 -0.00 0.00 0.70 0.00 0.00 55.95 55.39 1ozi s SER 28 Cb -0.09 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1ozi s SER 28 CO -0.00 -0.35 0.07 0.68 1.20 0.00 0.00 173.24 174.83 1ozi s VAL 29 N 1.43 4.65 0.06 4.45 -7.23 -1.26 0.61 120.40 123.10 1ozi s VAL 29 Ca -0.01 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 1ozi s VAL 29 Cb -0.20 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1ozi s VAL 29 CO 0.03 0.38 0.10 0.28 -0.31 0.00 0.00 175.10 175.58 1ozi s THR 30 N -1.16 0.16 -0.38 5.32 -1.32 0.81 -4.87 115.64 114.20 1ozi s THR 30 Ca 0.22 -1.30 -0.22 0.00 -1.21 0.00 0.00 61.69 59.18 1ozi s THR 30 Cb -0.12 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.68 1ozi s THR 30 CO 0.12 -0.72 0.70 -0.69 -2.21 0.00 0.00 174.62 171.83 1ozi s VAL 31 N -3.36 4.80 -0.61 5.08 1.01 -1.26 0.39 120.40 126.44 1ozi s VAL 31 Ca 0.01 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1ozi s VAL 31 Cb 0.03 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.35 1ozi s VAL 31 CO -0.08 -0.45 0.74 -0.76 0.00 0.00 0.00 175.10 174.56 1ozi s LEU 32 N 2.93 5.31 -0.10 3.92 1.43 -1.06 -4.70 118.68 126.40 1ozi s LEU 32 Ca 0.27 -1.43 0.13 0.00 -1.03 0.00 0.00 54.13 52.07 1ozi s LEU 32 Cb -0.14 -2.31 0.25 0.00 0.03 0.00 0.00 46.19 44.02 1ozi s LEU 32 CO 0.17 -1.14 1.13 0.33 0.23 0.00 0.00 176.35 177.07 1ozi n PHE 33 N 6.44 0.00 -2.27 0.29 7.35 -1.26 -1.57 117.46 126.44 1ozi n PHE 33 Ca -0.08 -0.79 -0.42 0.00 -0.76 0.00 0.00 57.45 55.40 1ozi n PHE 33 Cb 0.43 -0.14 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ozi s ASP 34 N -2.38 6.12 -0.56 -2.13 1.01 -1.26 -4.94 116.67 112.52 1ozi s ASP 34 Ca 0.25 0.76 -0.21 0.00 0.71 0.00 0.00 52.55 54.06 1ozi s ASP 34 Cb 0.23 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.69 1ozi s ASP 34 CO -0.01 -1.62 0.80 -0.75 0.21 0.00 0.00 175.17 173.80 1ozi s LYS 35 N 5.37 3.18 0.00 8.23 2.20 -1.26 -4.86 119.74 132.59 1ozi s LYS 35 Ca 0.63 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1ozi s LYS 35 Cb -0.15 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1ozi s LYS 35 CO 0.30 -1.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 1ozi n GLY 36 N 5.20 3.95 0.00 5.54 0.00 -1.26 -5.17 105.19 113.44 1ozi n GLY 36 Ca -0.04 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1ozi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 37 N -1.73 -0.92 0.13 -0.02 0.00 -1.26 -4.95 105.19 96.45 1ozi n GLY 37 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1ozi n GLY 37 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ozi h VAL 38 N 0.00 1.40 -4.09 1.61 2.07 -2.02 -3.47 116.25 111.75 1ozi h VAL 38 Ca 0.00 -2.58 -0.49 0.00 0.82 0.00 0.00 66.70 64.45 1ozi h VAL 38 Cb 0.00 3.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.72 1ozi h VAL 38 CO 0.00 0.75 -0.50 0.54 0.02 0.00 0.00 177.57 178.38 1ozi s ASN 39 N -7.25 2.02 -1.18 0.57 2.20 -1.26 -5.05 114.94 104.99 1ozi s ASN 39 Ca -0.11 -1.72 -0.15 0.00 -0.94 0.00 0.00 52.86 49.94 1ozi s ASN 39 Cb 0.03 0.54 0.16 0.00 -2.00 0.00 0.00 41.25 39.98 1ozi s ASN 39 CO 0.89 -1.01 1.41 -0.89 -2.94 0.00 0.00 177.10 174.55 1ozi s THR 40 N -3.39 4.94 -0.15 0.54 2.01 -1.26 -4.83 115.64 113.51 1ozi s THR 40 Ca 0.34 -2.46 -0.05 0.00 0.31 0.00 0.00 61.69 59.84 1ozi s THR 40 Cb 0.02 -4.91 -0.03 0.00 0.01 0.00 0.00 72.50 67.59 1ozi s THR 40 CO 0.22 -1.63 0.01 -0.55 -0.69 0.00 0.00 174.62 171.99 1ozi s SER 41 N 3.01 5.24 -1.28 3.53 0.15 -1.26 -5.02 113.70 118.07 1ozi s SER 41 Ca 0.42 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.92 1ozi s SER 41 Cb -0.03 -1.79 0.10 0.00 -1.71 0.00 0.00 66.02 62.59 1ozi s SER 41 CO -0.01 0.22 1.66 -0.69 1.20 0.00 0.00 173.24 175.63 1ozi s VAL 42 N 0.06 4.36 -0.30 4.45 1.01 -1.26 -4.67 120.40 124.04 1ozi s VAL 42 Ca 0.03 -2.10 0.03 0.00 0.00 0.00 0.00 61.98 59.93 1ozi s VAL 42 Cb -0.13 -5.13 0.45 0.00 0.00 0.00 0.00 36.38 31.57 1ozi s VAL 42 CO 0.02 -1.92 1.60 0.54 0.00 0.00 0.00 175.10 175.33 1ozi n ARG 43 N 7.69 1.89 -2.95 2.72 5.12 -1.26 -4.92 116.66 124.96 1ozi n ARG 43 Ca 0.46 -1.99 -0.29 0.00 -1.93 0.00 0.00 57.85 54.10 1ozi n ARG 43 Cb 0.45 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 1ozi n ARG 43 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1ozi s HIS 44 N -2.17 3.48 -0.18 -1.55 3.76 -1.26 -4.86 115.29 112.52 1ozi s HIS 44 Ca 0.38 0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 55.92 1ozi s HIS 44 Cb 0.31 -2.34 0.11 0.00 1.11 0.00 0.00 32.58 31.77 1ozi s HIS 44 CO 0.07 -0.06 0.93 0.20 -0.85 0.00 0.00 174.74 175.04 1ozi s GLY 45 N -3.27 -0.31 0.15 -2.22 0.00 -0.61 -4.99 107.32 96.06 1ozi s GLY 45 Ca 0.49 2.06 -0.19 0.00 0.00 0.00 0.00 44.72 47.08 1ozi s GLY 45 CO 0.32 1.25 1.67 -1.33 0.00 0.00 0.00 173.10 175.02 1ozi h GLY 46 N 3.16 0.14 -5.36 0.20 0.00 -1.84 -2.82 103.07 96.55 1ozi h GLY 46 Ca -0.23 0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.02 1ozi h GLY 46 CO 0.26 -0.14 -0.72 -0.42 0.00 0.00 0.00 176.54 175.52 1ozi s ILE 47 N -6.19 0.10 -0.00 2.60 -1.09 -1.07 -4.37 121.20 111.18 1ozi s ILE 47 Ca -0.14 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1ozi s ILE 47 Cb 0.12 -0.14 -0.00 0.00 -1.58 0.00 0.00 42.46 40.86 1ozi s ILE 47 CO 0.69 -0.12 0.01 -0.47 -1.23 0.00 0.00 174.94 173.83 1ozi s TYR 48 N -0.42 0.03 -0.52 3.97 6.14 0.16 0.64 117.35 127.36 1ozi s TYR 48 Ca -0.04 -0.05 -0.29 0.00 0.64 0.00 0.00 57.07 57.33 1ozi s TYR 48 Cb -0.03 -0.03 0.03 0.00 0.42 0.00 0.00 41.96 42.35 1ozi s TYR 48 CO -0.00 -0.05 1.21 0.08 0.64 0.00 0.00 175.55 177.43 1ozi s VAL 49 N -0.27 4.07 0.03 3.14 1.01 0.76 -0.14 120.40 129.00 1ozi s VAL 49 Ca -0.03 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 1ozi s VAL 49 Cb -0.02 -4.61 -0.29 0.00 0.00 0.00 0.00 36.38 31.46 1ozi s VAL 49 CO -0.00 -1.14 0.98 0.50 0.00 0.00 0.00 175.10 175.44 1ozi h LYS 50 N 9.63 0.28 -3.04 2.72 3.64 -0.14 -1.83 116.57 127.84 1ozi h LYS 50 Ca -0.24 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.62 1ozi h LYS 50 Cb 1.06 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.93 1ozi h LYS 50 CO 1.15 1.18 0.10 0.00 -2.27 0.00 0.00 179.45 179.62 1ozi s ALA 51 N -2.63 -1.37 -0.29 5.00 0.00 -1.00 -4.77 121.76 116.70 1ozi s ALA 51 Ca -0.07 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 1ozi s ALA 51 Cb 0.07 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1ozi s ALA 51 CO 0.87 -0.68 0.03 0.42 0.00 0.00 0.00 175.76 176.40 1ozi s ILE 52 N -3.48 3.44 -0.07 0.00 -1.09 -1.26 0.23 121.20 118.97 1ozi s ILE 52 Ca 0.00 -0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 57.18 1ozi s ILE 52 Cb -0.00 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1ozi s ILE 52 CO -0.10 0.05 0.84 -0.63 -1.23 0.00 0.00 174.94 173.87 1ozi s ILE 53 N 1.39 4.93 -0.83 2.92 1.09 -0.32 -4.94 121.20 125.44 1ozi s ILE 53 Ca -0.00 1.74 -0.26 0.00 -1.10 0.00 0.00 60.65 61.02 1ozi s ILE 53 Cb -0.18 -4.18 -0.15 0.00 -1.06 0.00 0.00 42.46 36.90 1ozi s ILE 53 CO -0.00 0.16 2.38 -2.65 -0.10 0.00 0.00 174.94 174.73 1ozi n PRO 54 N 4.21 0.50 0.00 2.79 -0.02 -1.26 -4.40 135.00 136.83 1ozi n PRO 54 Ca 0.03 -0.96 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 1ozi n PRO 54 Cb 0.50 -3.73 0.00 0.00 -0.02 0.00 0.00 33.50 30.25 1ozi n PRO 54 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ozi n LYS 55 N 8.73 2.58 -0.62 -0.52 4.01 -1.26 -5.04 118.16 126.03 1ozi n LYS 55 Ca 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1ozi n LYS 55 Cb 0.43 -0.87 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ozi n GLY 56 N 2.22 0.53 0.25 0.72 0.00 -1.26 -4.90 105.19 102.74 1ozi n GLY 56 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1ozi n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 57 N -0.35 2.22 0.04 4.61 0.00 -1.26 -4.51 120.51 121.27 1ozi n ALA 57 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ozi n ALA 57 Cb 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.47 1ozi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozi h ALA 58 N 0.00 0.42 0.12 0.00 0.00 -1.88 -1.36 119.26 116.57 1ozi h ALA 58 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 54.91 53.67 1ozi h ALA 58 Cb 0.00 0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ozi h ALA 58 CO 0.00 1.29 -0.69 1.49 0.00 0.00 0.00 179.25 181.34 1ozi h GLU 59 N 0.02 0.25 0.04 0.00 4.81 -1.83 -0.59 114.58 117.28 1ozi h GLU 59 Ca -0.13 -0.43 -0.17 0.00 -0.13 0.00 0.00 59.36 58.50 1ozi h GLU 59 Cb 1.89 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.42 1ozi h GLU 59 CO 0.13 1.21 -0.88 0.77 -0.73 0.00 0.00 179.01 179.50 1ozi h SER 60 N -0.47 0.14 0.00 1.04 0.02 -1.85 -3.38 113.55 109.04 1ozi h SER 60 Ca -0.12 -0.79 -0.05 0.00 -0.84 0.00 0.00 61.79 59.99 1ozi h SER 60 Cb 1.54 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1ozi h SER 60 CO 0.13 1.37 -2.02 -0.67 -1.14 0.00 0.00 176.83 174.50 1ozi n ASP 61 N -4.32 0.18 0.00 3.07 2.03 -0.71 -4.96 116.55 111.83 1ozi n ASP 61 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1ozi n ASP 61 Cb 0.69 1.82 0.00 0.00 -0.72 0.00 0.00 41.12 42.91 1ozi n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 62 N 1.38 0.85 0.00 0.27 0.00 -0.59 -4.99 105.19 102.10 1ozi n GLY 62 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N 0.00 0.00 -3.56 1.61 1.74 -0.33 -4.88 116.66 111.24 1ozi n ARG 63 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1ozi n ARG 63 Cb 0.00 -0.08 -0.07 0.00 -1.02 0.00 0.00 32.46 31.29 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N 0.00 5.29 0.21 0.55 1.01 -0.63 -5.02 121.20 122.62 1ozi s ILE 64 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 60.65 61.19 1ozi s ILE 64 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1ozi s ILE 64 CO 0.00 0.43 0.14 -1.00 0.00 0.00 0.00 174.94 174.51 1ozi s HIS 65 N 0.17 1.21 0.11 3.97 3.76 -1.26 -3.48 115.29 119.77 1ozi s HIS 65 Ca 0.17 -1.38 -0.31 0.00 -0.15 0.00 0.00 55.06 53.39 1ozi s HIS 65 Cb -0.13 -0.59 -0.08 0.00 1.11 0.00 0.00 32.58 32.89 1ozi s HIS 65 CO 0.05 -0.63 1.39 -1.59 -0.85 0.00 0.00 174.74 173.10 1ozi s LYS 66 N -4.12 4.32 0.00 1.40 -2.85 -1.26 -2.22 119.74 115.01 1ozi s LYS 66 Ca 0.39 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.43 1ozi s LYS 66 Cb 0.07 -3.26 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1ozi s LYS 66 CO 0.13 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1ozi n GLY 67 N 3.50 1.15 3.73 0.59 0.00 -0.69 -4.59 105.19 108.89 1ozi n GLY 67 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ozi n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 68 N -1.13 7.08 0.08 1.61 1.01 -0.94 -4.08 116.67 120.30 1ozi s ASP 68 Ca 0.00 2.20 0.01 0.00 0.71 0.00 0.00 52.55 55.47 1ozi s ASP 68 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1ozi s ASP 68 CO 0.00 -0.40 0.21 0.00 0.21 0.00 0.00 175.17 175.19 1ozi s ARG 69 N 0.06 3.36 -0.16 8.23 1.70 -1.03 -0.17 118.95 130.94 1ozi s ARG 69 Ca 0.54 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 55.27 1ozi s ARG 69 Cb -0.32 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.07 1ozi s ARG 69 CO 0.35 0.58 -0.09 0.08 -1.08 0.00 0.00 175.30 175.14 1ozi s VAL 70 N -1.55 3.25 -0.22 4.99 1.01 0.21 -0.43 120.40 127.67 1ozi s VAL 70 Ca 0.34 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1ozi s VAL 70 Cb -0.12 -2.41 -0.21 0.00 0.00 0.00 0.00 36.38 33.64 1ozi s VAL 70 CO 0.27 0.49 -0.06 0.18 0.00 0.00 0.00 175.10 175.99 1ozi n LEU 71 N 3.87 1.28 -3.84 3.92 4.77 0.54 -2.61 117.00 124.93 1ozi n LEU 71 Ca -0.18 -0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1ozi n LEU 71 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ozi n LEU 71 CO 0.30 0.67 0.49 0.00 -1.33 0.00 0.00 177.39 177.52 1ozi s ALA 72 N -2.48 -0.89 -0.21 -1.18 0.00 -0.49 -0.51 121.76 116.01 1ozi s ALA 72 Ca -0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1ozi s ALA 72 Cb 0.07 0.76 0.06 0.00 0.00 0.00 0.00 23.12 24.01 1ozi s ALA 72 CO 0.70 -1.00 -0.00 0.54 0.00 0.00 0.00 175.76 175.99 1ozi s VAL 73 N -3.00 0.97 -1.55 0.00 0.11 0.14 0.49 120.40 117.55 1ozi s VAL 73 Ca 0.14 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1ozi s VAL 73 Cb -0.05 -1.36 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1ozi s VAL 73 CO 0.10 -0.15 0.02 -3.20 -3.33 0.00 0.00 175.10 168.53 1ozi n ASN 74 N 4.88 -5.30 0.00 3.54 2.85 0.13 0.01 115.26 121.37 1ozi n ASN 74 Ca -0.10 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1ozi n ASN 74 Cb 0.46 -4.36 0.00 0.00 1.24 0.00 0.00 39.78 37.12 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ozi n GLY 75 N -1.03 3.02 3.67 8.20 0.00 -1.26 -5.03 105.19 112.76 1ozi n GLY 75 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1ozi n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 76 N -2.07 4.79 0.38 1.61 1.01 0.10 -4.97 120.40 121.24 1ozi s VAL 76 Ca 0.00 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.57 1ozi s VAL 76 Cb 0.00 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1ozi s VAL 76 CO 0.00 -0.05 1.40 -0.24 0.00 0.00 0.00 175.10 176.21 1ozi n SER 77 N 5.56 3.31 -0.07 3.32 2.88 -1.26 0.25 113.62 127.61 1ozi n SER 77 Ca 0.08 1.20 0.01 0.00 -1.33 0.00 0.00 58.87 58.83 1ozi n SER 77 Cb 0.48 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1ozi n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ozi n LEU 78 N 0.48 0.86 -4.57 2.46 4.77 0.34 -4.76 117.00 116.58 1ozi n LEU 78 Ca 0.03 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 1ozi n LEU 78 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1ozi n LEU 78 CO 0.63 0.20 1.24 -1.83 -1.33 0.00 0.00 177.39 176.30 1ozi s GLU 79 N -0.50 3.26 0.00 3.23 4.04 -1.08 -1.38 118.70 126.27 1ozi s GLU 79 Ca 0.02 0.32 0.00 0.00 0.04 0.00 0.00 54.97 55.35 1ozi s GLU 79 Cb 0.02 -4.14 0.00 0.00 0.02 0.00 0.00 34.13 30.03 1ozi s GLU 79 CO 0.05 -2.00 0.00 0.41 -1.84 0.00 0.00 175.26 171.88 1ozi n GLY 80 N 5.29 1.28 3.85 -3.83 0.00 -1.26 -4.99 105.19 105.53 1ozi n GLY 80 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi s ALA 81 N -2.00 3.38 0.52 4.61 0.00 -0.48 -5.07 121.76 122.72 1ozi s ALA 81 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 1ozi s ALA 81 Cb 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 1ozi s ALA 81 CO 0.00 0.37 0.99 -0.08 0.00 0.00 0.00 175.76 177.04 1ozi s THR 82 N -1.92 4.41 0.38 0.00 -1.32 -1.26 -4.82 115.64 111.11 1ozi s THR 82 Ca 0.52 1.18 0.14 0.00 -1.21 0.00 0.00 61.69 62.32 1ozi s THR 82 Cb -0.11 -3.66 0.36 0.00 -1.51 0.00 0.00 72.50 67.57 1ozi s THR 82 CO 0.18 -0.64 1.82 1.12 -2.21 0.00 0.00 174.62 174.90 1ozi h HIS 83 N 0.92 0.73 -0.39 9.09 2.07 -1.90 0.11 115.15 125.78 1ozi h HIS 83 Ca -0.47 0.02 0.08 0.00 -2.85 0.00 0.00 60.37 57.15 1ozi h HIS 83 Cb 1.19 -0.22 -0.09 0.00 2.57 0.00 0.00 27.41 30.86 1ozi h HIS 83 CO 0.63 0.17 -0.29 0.87 -3.07 0.00 0.00 177.93 176.25 1ozi h LYS 84 N 0.53 -0.21 -0.33 5.12 1.57 -1.92 -1.42 116.57 119.92 1ozi h LYS 84 Ca 0.52 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.22 1ozi h LYS 84 Cb 1.10 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1ozi h LYS 84 CO -0.25 -0.14 -0.19 1.96 -0.57 0.00 0.00 179.45 180.26 1ozi h GLN 85 N -0.22 0.60 -0.09 3.15 1.08 -1.17 0.20 115.11 118.66 1ozi h GLN 85 Ca 0.18 -0.21 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1ozi h GLN 85 Cb 0.51 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1ozi h GLN 85 CO -0.52 0.76 -0.01 0.00 -0.95 0.00 0.00 178.83 178.12 1ozi h ALA 86 N 1.25 0.07 -0.11 3.87 0.00 -0.99 0.89 119.26 124.25 1ozi h ALA 86 Ca 0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ozi h ALA 86 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ozi h ALA 86 CO 0.04 -0.47 -0.47 0.28 0.00 0.00 0.00 179.25 178.63 1ozi h VAL 87 N 0.02 1.33 -0.25 0.00 2.07 -0.72 -1.38 116.25 117.33 1ozi h VAL 87 Ca 0.04 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1ozi h VAL 87 Cb 0.06 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1ozi h VAL 87 CO -0.08 0.50 -0.21 -0.33 0.02 0.00 0.00 177.57 177.47 1ozi h GLU 88 N 0.22 0.45 0.00 1.57 5.08 -0.23 -0.01 114.58 121.66 1ozi h GLU 88 Ca 0.01 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1ozi h GLU 88 Cb 0.91 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ozi h GLU 88 CO 0.07 0.63 -0.50 1.15 -1.00 0.00 0.00 179.01 179.36 1ozi h THR 89 N 0.40 1.28 0.00 1.13 2.02 -0.34 0.09 112.91 117.49 1ozi h THR 89 Ca 0.07 -1.78 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 1ozi h THR 89 Cb 0.59 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1ozi h THR 89 CO 0.04 0.49 -0.23 -0.07 0.37 0.00 0.00 175.52 176.12 1ozi h LEU 90 N 0.00 0.00 0.00 2.58 3.38 -0.02 0.12 115.31 121.37 1ozi h LEU 90 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ozi h LEU 90 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ozi h LEU 90 CO 0.07 0.23 -0.83 0.54 0.09 0.00 0.00 178.44 178.53 1ozi n ARG 91 N -3.40 0.33 0.09 1.13 1.74 -0.17 -3.79 116.66 112.59 1ozi n ARG 91 Ca 0.00 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 1ozi n ARG 91 Cb 0.43 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1ozi h ASN 92 N 0.00 0.41 -4.20 0.55 -1.24 -0.16 -3.45 115.58 107.50 1ozi h ASN 92 Ca 0.00 -0.47 -0.49 0.00 0.71 0.00 0.00 56.30 56.05 1ozi h ASN 92 Cb 0.77 -0.13 0.06 0.00 0.73 0.00 0.00 38.32 39.75 1ozi h ASN 92 CO 0.00 1.37 0.38 0.42 -1.29 0.00 0.00 177.43 178.31 1ozi s THR 93 N -2.64 3.91 0.00 -3.57 -4.23 0.34 -5.07 115.64 104.38 1ozi s THR 93 Ca -0.05 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1ozi s THR 93 Cb 0.07 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1ozi s THR 93 CO 0.88 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 1ozi n GLY 94 N -1.07 0.89 0.12 3.99 0.00 -1.26 -4.89 105.19 102.97 1ozi n GLY 94 Ca 0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1ozi n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 95 N 0.00 0.27 -4.88 1.61 5.75 -1.95 -3.41 115.11 112.50 1ozi h GLN 95 Ca 0.00 -0.19 -0.65 0.00 -0.15 0.00 0.00 58.65 57.66 1ozi h GLN 95 Cb 0.00 0.03 -0.19 0.00 1.07 0.00 0.00 27.48 28.39 1ozi h GLN 95 CO 0.00 0.81 -0.55 0.08 -2.65 0.00 0.00 178.83 176.52 1ozi s VAL 96 N -3.80 4.95 -0.18 2.39 1.01 -1.26 -0.27 120.40 123.24 1ozi s VAL 96 Ca -0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1ozi s VAL 96 Cb 0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1ozi s VAL 96 CO 0.75 0.23 0.05 -0.69 0.00 0.00 0.00 175.10 175.43 1ozi s VAL 97 N 1.70 4.64 -0.21 2.92 1.01 0.86 -4.92 120.40 126.40 1ozi s VAL 97 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 1ozi s VAL 97 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1ozi s VAL 97 CO 0.08 0.46 0.62 -1.00 0.00 0.00 0.00 175.10 175.27 1ozi s HIS 98 N 0.40 3.35 0.06 5.22 3.76 -1.25 -0.48 115.29 126.34 1ozi s HIS 98 Ca 0.02 0.89 0.05 0.00 -0.15 0.00 0.00 55.06 55.87 1ozi s HIS 98 Cb -0.13 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 1ozi s HIS 98 CO 0.01 -0.21 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.37 1ozi s LEU 99 N 2.04 2.23 -0.27 0.89 2.96 -0.30 0.21 118.68 126.44 1ozi s LEU 99 Ca 0.28 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1ozi s LEU 99 Cb -0.16 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1ozi s LEU 99 CO 0.10 -0.01 0.03 -0.22 -1.32 0.00 0.00 176.35 174.92 1ozi s LEU 100 N -1.45 3.48 0.45 -0.68 0.20 0.18 0.16 118.68 121.02 1ozi s LEU 100 Ca 0.00 -0.62 0.03 0.00 0.69 0.00 0.00 54.13 54.24 1ozi s LEU 100 Cb -0.09 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1ozi s LEU 100 CO 0.02 -0.13 0.03 -0.76 -0.29 0.00 0.00 176.35 175.23 1ozi s LEU 101 N 1.48 2.37 -0.12 -0.68 1.02 0.37 -0.34 118.68 122.78 1ozi s LEU 101 Ca 0.03 -1.56 -0.00 0.00 0.02 0.00 0.00 54.13 52.62 1ozi s LEU 101 Cb -0.16 -0.62 0.02 0.00 0.02 0.00 0.00 46.19 45.45 1ozi s LEU 101 CO 0.00 -0.74 -0.09 -0.70 0.02 0.00 0.00 176.35 174.84 1ozi s GLU 102 N -3.81 1.71 -0.50 1.70 2.12 0.43 -0.51 118.70 119.85 1ozi s GLU 102 Ca 0.19 -0.33 -0.33 0.00 0.36 0.00 0.00 54.97 54.86 1ozi s GLU 102 Cb 0.05 -1.72 -0.13 0.00 0.26 0.00 0.00 34.13 32.59 1ozi s GLU 102 CO 0.10 -0.26 2.32 1.17 -0.54 0.00 0.00 175.26 178.05 1ozi n LYS 103 N 4.90 0.82 -3.74 4.30 0.00 0.63 -2.45 118.16 122.62 1ozi n LYS 103 Ca -0.14 0.17 -0.36 0.00 0.00 0.00 0.00 58.31 57.99 1ozi n LYS 103 Cb 0.50 -2.41 -0.10 0.00 0.00 0.00 0.00 35.03 33.02 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 104 N 8.42 2.53 -0.58 3.14 0.00 -1.26 -0.12 107.32 119.46 1ozi s GLY 104 Ca 1.13 -3.31 -0.18 0.00 0.00 0.00 0.00 44.72 42.36 1ozi s GLY 104 CO 0.46 1.10 0.65 1.20 0.00 0.00 0.00 173.10 176.51 1ozi s GLN 105 N -0.16 3.03 -0.18 2.90 -0.21 -1.26 -2.65 119.66 121.13 1ozi s GLN 105 Ca 0.17 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 54.17 1ozi s GLN 105 Cb -0.20 -4.27 0.04 0.00 1.00 0.00 0.00 33.01 29.58 1ozi s GLN 105 CO -0.03 -1.48 -0.09 0.08 -2.12 0.00 0.00 175.29 171.65 1ozi s VAL 106 N 2.45 1.44 -2.00 1.09 1.01 -1.26 -5.07 120.40 118.06 1ozi s VAL 106 Ca 0.10 -0.81 0.27 0.00 0.00 0.00 0.00 61.98 61.53 1ozi s VAL 106 Cb -0.25 -1.52 0.76 0.00 0.00 0.00 0.00 36.38 35.36 1ozi s VAL 106 CO 0.06 0.20 1.94 -2.65 0.00 0.00 0.00 175.10 174.65