#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 3.75 0.00 1.97 0.02 -1.26 -0.70 135.00 138.78 1ozi s PRO 10 Ca 0.00 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1ozi s PRO 10 Cb 0.00 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.35 1ozi s PRO 10 CO 0.00 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 1ozi n GLY 11 N 4.89 0.61 3.74 0.52 0.00 -1.26 -5.00 105.19 108.68 1ozi n GLY 11 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.69 7.31 -0.21 1.61 2.15 0.12 -4.85 116.67 120.11 1ozi s ASP 12 Ca 0.00 1.57 -0.08 0.00 0.43 0.00 0.00 52.55 54.47 1ozi s ASP 12 Cb 0.00 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1ozi s ASP 12 CO 0.00 -0.01 0.09 0.42 -0.17 0.00 0.00 175.17 175.50 1ozi s THR 13 N -0.03 4.80 0.09 1.71 -4.23 -1.26 -2.07 115.64 114.66 1ozi s THR 13 Ca 0.41 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.91 1ozi s THR 13 Cb -0.21 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 1ozi s THR 13 CO 0.25 0.40 -0.05 0.72 -0.54 0.00 0.00 174.62 175.41 1ozi s PHE 14 N 0.87 0.82 -0.52 3.99 -0.71 0.20 -4.98 117.98 117.63 1ozi s PHE 14 Ca 0.05 -0.98 -0.08 0.00 -1.04 0.00 0.00 56.93 54.88 1ozi s PHE 14 Cb -0.13 -0.50 0.13 0.00 -1.21 0.00 0.00 43.02 41.31 1ozi s PHE 14 CO 0.03 -0.23 0.39 -1.21 -1.34 0.00 0.00 175.22 172.85 1ozi s GLU 15 N -3.87 2.55 0.14 1.99 8.01 -1.26 -0.34 118.70 125.92 1ozi s GLU 15 Ca 0.12 -1.96 -0.30 0.00 0.01 0.00 0.00 54.97 52.84 1ozi s GLU 15 Cb 0.06 -3.91 -0.07 0.00 -4.31 0.00 0.00 34.13 25.90 1ozi s GLU 15 CO -0.05 -1.19 1.09 0.54 0.01 0.00 0.00 175.26 175.66 1ozi s VAL 16 N 1.00 4.02 -0.69 2.63 0.11 0.50 -4.74 120.40 123.23 1ozi s VAL 16 Ca 0.09 1.66 -0.20 0.00 -2.93 0.00 0.00 61.98 60.60 1ozi s VAL 16 Cb -0.23 -4.06 0.10 0.00 -1.53 0.00 0.00 36.38 30.66 1ozi s VAL 16 CO -0.02 0.25 0.88 -0.70 -3.33 0.00 0.00 175.10 172.17 1ozi s GLU 17 N -0.02 3.20 -0.38 1.54 2.12 -1.26 -0.30 118.70 123.60 1ozi s GLU 17 Ca 0.51 -1.29 -0.13 0.00 0.36 0.00 0.00 54.97 54.42 1ozi s GLU 17 Cb -0.28 -4.38 0.01 0.00 0.26 0.00 0.00 34.13 29.74 1ozi s GLU 17 CO 0.33 -1.67 0.25 -1.17 -0.54 0.00 0.00 175.26 172.46 1ozi s LEU 18 N 3.05 4.81 -0.28 2.70 1.98 0.98 -4.95 118.68 126.97 1ozi s LEU 18 Ca 0.19 -0.83 -0.17 0.00 -2.89 0.00 0.00 54.13 50.44 1ozi s LEU 18 Cb -0.17 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.55 1ozi s LEU 18 CO 0.04 -0.38 0.47 0.00 -1.89 0.00 0.00 176.35 174.59 1ozi s ALA 19 N 1.64 3.56 -0.17 5.97 0.00 -1.26 0.02 121.76 131.52 1ozi s ALA 19 Ca 0.04 -0.76 -0.36 0.00 0.00 0.00 0.00 51.96 50.88 1ozi s ALA 19 Cb -0.19 -2.86 -0.13 0.00 0.00 0.00 0.00 23.12 19.94 1ozi s ALA 19 CO 0.09 -0.82 1.86 1.63 0.00 0.00 0.00 175.76 178.52 1ozi n LYS 20 N 5.52 1.79 -4.03 0.00 5.02 0.33 -4.84 118.16 121.96 1ozi n LYS 20 Ca -0.06 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 1ozi n LYS 20 Cb 0.50 -2.47 -0.15 0.00 -0.02 0.00 0.00 35.03 32.89 1ozi n LYS 20 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ozi s THR 21 N 4.17 2.17 0.00 -0.18 2.01 -1.16 -4.82 115.64 117.84 1ozi s THR 21 Ca 0.96 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1ozi s THR 21 Cb -0.82 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1ozi s THR 21 CO 0.56 -0.39 0.00 -0.67 -0.69 0.00 0.00 174.62 173.43 1ozi n ASP 22 N 4.34 0.00 -1.60 3.53 2.03 -1.26 -3.35 116.55 120.25 1ozi n ASP 22 Ca -0.03 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.20 1ozi n ASP 22 Cb 0.42 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.98 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 23 N 0.00 3.11 6.71 0.27 0.00 -1.26 -4.97 105.19 109.04 1ozi n GLY 23 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ozi n SER 24 N -0.18 0.00 -4.45 1.61 3.41 -1.21 -4.30 113.62 108.50 1ozi n SER 24 Ca 0.29 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 1ozi n SER 24 Cb 1.07 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.92 1ozi n SER 24 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ozi s LEU 25 N 0.00 4.99 -0.12 1.04 2.01 -1.26 -3.00 118.68 122.33 1ozi s LEU 25 Ca 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 54.13 53.25 1ozi s LEU 25 Cb 0.00 -2.13 0.11 0.00 0.01 0.00 0.00 46.19 44.18 1ozi s LEU 25 CO 0.00 -0.42 1.69 0.61 1.01 0.00 0.00 176.35 179.24 1ozi n GLY 26 N 5.12 2.95 3.01 -3.19 0.00 -1.25 -4.78 105.19 107.05 1ozi n GLY 26 Ca -0.11 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.90 1.48 -0.25 -0.61 -4.36 -1.26 -0.65 121.20 114.65 1ozi s ILE 27 Ca 0.13 -0.58 -0.23 0.00 -0.26 0.00 0.00 60.65 59.71 1ozi s ILE 27 Cb 0.11 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.42 1ozi s ILE 27 CO 0.01 0.44 0.75 -0.55 0.24 0.00 0.00 174.94 175.83 1ozi s SER 28 N 1.42 6.72 0.09 4.36 0.15 0.78 -4.97 113.70 122.25 1ozi s SER 28 Ca 0.03 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.64 1ozi s SER 28 Cb -0.13 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1ozi s SER 28 CO -0.08 -0.46 -0.19 0.68 1.20 0.00 0.00 173.24 174.39 1ozi s VAL 29 N 2.71 1.55 0.44 4.45 -7.23 -1.26 0.16 120.40 121.22 1ozi s VAL 29 Ca 0.31 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1ozi s VAL 29 Cb -0.15 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1ozi s VAL 29 CO 0.08 -0.09 0.12 0.28 -0.31 0.00 0.00 175.10 175.18 1ozi s THR 30 N -1.17 0.59 -0.13 5.32 -1.32 -0.06 -4.82 115.64 114.04 1ozi s THR 30 Ca 0.04 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.33 1ozi s THR 30 Cb -0.10 -2.24 -0.17 0.00 -1.51 0.00 0.00 72.50 68.48 1ozi s THR 30 CO 0.04 0.00 0.48 -0.37 -2.21 0.00 0.00 174.62 172.56 1ozi h VAL 31 N 1.65 1.15 0.00 5.08 -1.51 -1.80 0.53 116.25 121.35 1ozi h VAL 31 Ca -0.36 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 1ozi h VAL 31 Cb 1.29 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1ozi h VAL 31 CO 0.57 0.39 0.00 -0.11 -1.23 0.00 0.00 177.57 177.19 1ozi n LEU 32 N -4.66 -0.83 -3.84 4.19 7.94 -1.26 -2.18 117.00 116.35 1ozi n LEU 32 Ca -0.07 0.29 -0.21 0.00 -1.11 0.00 0.00 56.01 54.91 1ozi n LEU 32 Cb 0.33 1.01 -0.17 0.00 0.53 0.00 0.00 43.42 45.12 1ozi n LEU 32 CO 0.22 -0.07 -0.40 0.12 -1.11 0.00 0.00 177.39 176.15 1ozi s PHE 33 N -2.00 0.70 0.17 1.96 5.36 -1.26 -5.03 117.98 117.88 1ozi s PHE 33 Ca 0.00 -0.19 -0.25 0.00 -0.96 0.00 0.00 56.93 55.53 1ozi s PHE 33 Cb 0.00 -0.70 0.04 0.00 -0.34 0.00 0.00 43.02 42.02 1ozi s PHE 33 CO 0.00 -0.24 1.57 0.22 -1.46 0.00 0.00 175.22 175.31 1ozi h ASP 34 N 7.61 -1.46 -2.74 6.13 3.58 -1.98 -3.37 116.42 124.20 1ozi h ASP 34 Ca -0.32 0.24 -0.51 0.00 0.42 0.00 0.00 57.03 56.86 1ozi h ASP 34 Cb 1.14 0.66 -0.39 0.00 1.72 0.00 0.00 39.33 42.46 1ozi h ASP 34 CO 0.40 -0.34 -0.77 -0.54 -2.88 0.00 0.00 179.24 175.11 1ozi s LYS 35 N -5.85 0.20 -0.08 0.28 1.02 -1.26 -4.96 119.74 109.09 1ozi s LYS 35 Ca -0.14 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1ozi s LYS 35 Cb 0.13 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.31 1ozi s LYS 35 CO 0.66 -1.02 0.14 0.78 -0.92 0.00 0.00 175.35 174.99 1ozi h GLY 36 N 8.40 -0.11 0.00 -3.33 0.00 -1.88 -3.47 103.07 102.68 1ozi h GLY 36 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ozi h GLY 36 CO 0.43 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1ozi n GLY 37 N 1.50 1.24 0.27 4.60 0.00 -1.26 -4.13 105.19 107.42 1ozi n GLY 37 Ca -0.01 0.41 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ozi h VAL 38 N 0.00 0.79 -4.09 1.61 3.04 -2.06 -3.40 116.25 112.14 1ozi h VAL 38 Ca 0.00 -0.08 -0.54 0.00 -1.01 0.00 0.00 66.70 65.07 1ozi h VAL 38 Cb 0.00 1.04 -0.25 0.00 -2.01 0.00 0.00 31.29 30.08 1ozi h VAL 38 CO 0.00 0.02 -0.83 0.21 -1.01 0.00 0.00 177.57 175.97 1ozi s ASN 39 N -6.64 2.27 -1.20 3.17 3.84 -1.26 -5.06 114.94 110.06 1ozi s ASN 39 Ca -0.05 -0.54 -0.14 0.00 0.21 0.00 0.00 52.86 52.35 1ozi s ASN 39 Cb 0.16 -0.17 0.17 0.00 -0.55 0.00 0.00 41.25 40.87 1ozi s ASN 39 CO 0.62 0.10 1.42 -0.89 -2.79 0.00 0.00 177.10 175.56 1ozi s THR 40 N -0.89 5.07 -0.92 -5.21 2.01 -1.26 -4.58 115.64 109.85 1ozi s THR 40 Ca 0.06 -2.66 0.25 0.00 0.31 0.00 0.00 61.69 59.64 1ozi s THR 40 Cb -0.09 -4.90 -0.00 0.00 0.01 0.00 0.00 72.50 67.52 1ozi s THR 40 CO 0.02 -1.60 1.36 -1.20 -0.69 0.00 0.00 174.62 172.51 1ozi n SER 41 N 5.54 0.54 -4.57 3.53 7.64 -1.26 -4.80 113.62 120.25 1ozi n SER 41 Ca 0.36 -0.21 -0.40 0.00 1.01 0.00 0.00 58.87 59.63 1ozi n SER 41 Cb 0.43 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 1ozi n SER 41 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ozi s VAL 42 N -3.04 3.18 0.09 0.44 1.01 -1.26 -4.96 120.40 115.87 1ozi s VAL 42 Ca 0.10 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1ozi s VAL 42 Cb 0.17 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1ozi s VAL 42 CO 0.71 -0.29 0.46 -0.60 0.00 0.00 0.00 175.10 175.39 1ozi s ARG 43 N 7.01 3.88 -1.05 2.72 3.52 -1.26 -4.98 118.95 128.78 1ozi s ARG 43 Ca 0.88 0.34 -0.23 0.00 -0.13 0.00 0.00 55.73 56.60 1ozi s ARG 43 Cb -0.21 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1ozi s ARG 43 CO 0.29 0.55 1.64 -1.01 -0.81 0.00 0.00 175.30 175.95 1ozi s HIS 44 N -1.37 2.37 0.00 5.12 3.76 -1.26 -4.27 115.29 119.64 1ozi s HIS 44 Ca 0.33 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1ozi s HIS 44 Cb -0.15 -4.52 0.00 0.00 1.11 0.00 0.00 32.58 29.02 1ozi s HIS 44 CO 0.18 -1.83 0.00 0.41 -0.85 0.00 0.00 174.74 172.65 1ozi n GLY 45 N 6.57 -0.06 0.00 -2.22 0.00 -1.26 -5.13 105.19 103.09 1ozi n GLY 45 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ozi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozi n GLY 46 N 2.37 -0.52 3.52 -0.02 0.00 -1.21 -4.28 105.19 105.04 1ozi n GLY 46 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N 0.00 2.86 -0.19 -0.61 -1.09 0.71 -4.52 121.20 118.35 1ozi s ILE 47 Ca 0.00 -1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 56.45 1ozi s ILE 47 Cb 0.00 -2.44 0.06 0.00 -1.58 0.00 0.00 42.46 38.51 1ozi s ILE 47 CO 0.00 -0.20 0.05 -0.47 -1.23 0.00 0.00 174.94 173.09 1ozi s TYR 48 N -1.93 0.87 -0.36 3.97 5.04 0.19 0.51 117.35 125.64 1ozi s TYR 48 Ca 0.26 -0.78 -0.35 0.00 -2.44 0.00 0.00 57.07 53.76 1ozi s TYR 48 Cb -0.07 -0.98 -0.11 0.00 0.35 0.00 0.00 41.96 41.14 1ozi s TYR 48 CO 0.14 -0.60 2.21 0.28 -1.34 0.00 0.00 175.55 176.24 1ozi n VAL 49 N 5.09 0.18 0.12 3.14 0.31 -0.64 -0.89 118.33 125.65 1ozi n VAL 49 Ca -0.08 -0.27 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 1ozi n VAL 49 Cb 0.47 -1.68 -0.16 0.00 -0.91 0.00 0.00 33.84 31.57 1ozi n VAL 49 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ozi h LYS 50 N 12.68 0.49 -2.98 5.55 3.64 -0.60 -1.11 116.57 134.24 1ozi h LYS 50 Ca -0.27 -0.83 -0.00 0.00 -1.27 0.00 0.00 60.65 58.28 1ozi h LYS 50 Cb 1.32 0.31 -0.11 0.00 -0.41 0.00 0.00 32.23 33.34 1ozi h LYS 50 CO 1.03 1.40 0.22 0.00 -2.27 0.00 0.00 179.45 179.83 1ozi s ALA 51 N -2.57 -1.55 -0.04 5.00 0.00 -0.44 -4.70 121.76 117.46 1ozi s ALA 51 Ca -0.11 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1ozi s ALA 51 Cb 0.04 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1ozi s ALA 51 CO 0.92 -0.81 -0.17 0.42 0.00 0.00 0.00 175.76 176.11 1ozi s ILE 52 N -3.76 2.79 -0.01 0.00 -1.09 -1.26 -0.16 121.20 117.71 1ozi s ILE 52 Ca 0.03 -0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 1ozi s ILE 52 Cb -0.02 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 1ozi s ILE 52 CO -0.10 0.59 0.33 -0.63 -1.23 0.00 0.00 174.94 173.90 1ozi s ILE 53 N -0.68 5.19 0.33 2.92 -1.09 0.18 -4.94 121.20 123.12 1ozi s ILE 53 Ca 0.11 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 1ozi s ILE 53 Cb -0.11 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.06 1ozi s ILE 53 CO 0.00 0.50 1.49 -2.84 -1.23 0.00 0.00 174.94 172.86 1ozi s PRO 54 N -1.34 4.16 -2.12 2.79 0.02 -1.26 -0.94 135.00 136.31 1ozi s PRO 54 Ca 0.24 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1ozi s PRO 54 Cb -0.15 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1ozi s PRO 54 CO 0.13 -0.51 0.00 1.17 -0.33 0.00 0.00 177.00 177.46 1ozi n LYS 55 N 1.23 -1.48 -3.60 5.54 3.00 -1.26 -4.90 118.16 116.68 1ozi n LYS 55 Ca 0.04 1.18 -0.38 0.00 -0.00 0.00 0.00 58.31 59.15 1ozi n LYS 55 Cb 0.39 -5.59 -0.06 0.00 0.00 0.00 0.00 35.03 29.77 1ozi n LYS 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 56 N -2.64 3.02 0.00 3.14 0.00 -0.12 -4.35 107.32 106.36 1ozi s GLY 56 Ca 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 44.72 40.96 1ozi s GLY 56 CO 0.00 1.20 0.00 0.00 0.00 0.00 0.00 173.10 174.30 1ozi n ALA 57 N 2.56 0.00 -0.04 3.20 0.00 -1.23 -1.40 120.51 123.60 1ozi n ALA 57 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.79 1ozi n ALA 57 Cb 0.38 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.41 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 2.22 0.11 0.00 0.00 -1.87 0.78 119.26 120.50 1ozi h ALA 58 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1ozi h ALA 58 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ozi h ALA 58 CO 0.00 -0.37 -1.89 1.49 0.00 0.00 0.00 179.25 178.48 1ozi h GLU 59 N 0.22 0.23 -0.06 0.00 4.57 -1.43 0.87 114.58 118.98 1ozi h GLU 59 Ca 0.27 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 1ozi h GLU 59 Cb 0.75 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1ozi h GLU 59 CO -0.05 1.09 -0.45 0.77 -1.18 0.00 0.00 179.01 179.19 1ozi h SER 60 N 0.06 0.50 0.29 1.04 0.02 -1.49 -3.16 113.55 110.81 1ozi h SER 60 Ca -0.38 -0.68 -0.24 0.00 -0.84 0.00 0.00 61.79 59.65 1ozi h SER 60 Cb 2.04 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 64.44 1ozi h SER 60 CO 0.10 1.10 -1.01 -0.78 -1.14 0.00 0.00 176.83 175.10 1ozi h ASP 61 N -0.06 0.62 -1.51 3.07 3.58 0.36 -3.49 116.42 118.99 1ozi h ASP 61 Ca -0.04 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1ozi h ASP 61 Cb 1.11 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1ozi h ASP 61 CO 0.09 1.32 0.00 0.61 -2.88 0.00 0.00 179.24 178.38 1ozi n GLY 62 N 1.06 0.90 0.00 -0.78 0.00 -0.88 -5.06 105.19 100.43 1ozi n GLY 62 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.76 0.00 -2.53 1.61 5.12 0.25 -5.02 116.66 115.33 1ozi n ARG 63 Ca 0.00 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.56 1ozi n ARG 63 Cb 0.26 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.52 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ozi s ILE 64 N 0.00 3.70 0.34 0.55 1.01 -1.24 -5.02 121.20 120.55 1ozi s ILE 64 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 60.65 61.95 1ozi s ILE 64 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1ozi s ILE 64 CO 0.00 -0.03 0.09 -1.38 0.00 0.00 0.00 174.94 173.62 1ozi s HIS 65 N -1.69 1.83 0.01 3.97 -3.43 -1.26 -4.37 115.29 110.34 1ozi s HIS 65 Ca 0.59 -1.11 -0.30 0.00 -0.80 0.00 0.00 55.06 53.44 1ozi s HIS 65 Cb -0.22 -1.17 -0.05 0.00 -1.43 0.00 0.00 32.58 29.71 1ozi s HIS 65 CO 0.27 -0.16 1.34 0.15 -2.00 0.00 0.00 174.74 174.34 1ozi s LYS 66 N -3.86 4.32 0.00 -0.38 1.02 -1.26 -3.26 119.74 116.31 1ozi s LYS 66 Ca 0.33 1.90 0.00 0.00 0.02 0.00 0.00 55.97 58.21 1ozi s LYS 66 Cb 0.07 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1ozi s LYS 66 CO 0.15 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1ozi n GLY 67 N 3.52 0.75 3.74 -3.33 0.00 -0.42 -4.93 105.19 104.52 1ozi n GLY 67 Ca 0.12 0.00 -0.42 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 -1.18 6.60 -0.04 1.61 1.11 -1.20 -3.99 116.67 119.58 1ozi s ASP 68 Ca 0.00 2.68 -0.17 0.00 0.18 0.00 0.00 52.55 55.24 1ozi s ASP 68 Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 1ozi s ASP 68 CO 0.00 -0.77 0.47 -0.60 1.18 0.00 0.00 175.17 175.45 1ozi s ARG 69 N 0.12 4.17 -0.21 8.23 3.52 -0.70 -1.62 118.95 132.46 1ozi s ARG 69 Ca 0.63 0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 56.66 1ozi s ARG 69 Cb -0.43 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1ozi s ARG 69 CO 0.40 0.44 0.05 0.08 -0.81 0.00 0.00 175.30 175.46 1ozi s VAL 70 N -0.30 4.43 -0.04 7.11 1.01 0.18 -0.51 120.40 132.28 1ozi s VAL 70 Ca 0.26 -0.15 0.16 0.00 0.00 0.00 0.00 61.98 62.25 1ozi s VAL 70 Cb -0.16 -3.02 -0.25 0.00 0.00 0.00 0.00 36.38 32.94 1ozi s VAL 70 CO 0.13 0.41 0.32 0.18 0.00 0.00 0.00 175.10 176.13 1ozi n LEU 71 N 4.21 0.00 -3.68 3.92 4.77 0.86 -0.20 117.00 126.88 1ozi n LEU 71 Ca -0.16 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.78 1ozi n LEU 71 Cb 0.52 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1ozi n LEU 71 CO 0.33 0.06 0.77 0.00 -1.33 0.00 0.00 177.39 177.22 1ozi s ALA 72 N -3.04 -1.79 -0.19 -1.18 0.00 -0.70 -0.45 121.76 114.41 1ozi s ALA 72 Ca -0.06 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1ozi s ALA 72 Cb 0.10 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1ozi s ALA 72 CO 0.69 -0.96 -0.17 0.08 0.00 0.00 0.00 175.76 175.40 1ozi s VAL 73 N -3.10 1.99 -1.00 0.00 1.01 -0.50 -0.23 120.40 118.57 1ozi s VAL 73 Ca 0.11 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1ozi s VAL 73 Cb -0.00 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1ozi s VAL 73 CO -0.01 0.41 0.60 -0.46 0.00 0.00 0.00 175.10 175.64 1ozi n ASN 74 N 4.61 -3.99 0.00 3.32 6.94 0.17 -0.56 115.26 125.75 1ozi n ASN 74 Ca -0.19 -1.11 0.00 0.00 -0.02 0.00 0.00 54.58 53.26 1ozi n ASN 74 Cb 0.48 -1.46 0.00 0.00 -2.36 0.00 0.00 39.78 36.44 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ozi n GLY 75 N -1.87 2.64 3.49 4.83 0.00 -1.26 -4.93 105.19 108.09 1ozi n GLY 75 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.78 4.12 0.23 1.61 1.01 0.27 -4.98 120.40 121.88 1ozi s VAL 76 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1ozi s VAL 76 Cb 0.00 -4.76 -0.12 0.00 0.00 0.00 0.00 36.38 31.49 1ozi s VAL 76 CO 0.00 -1.59 1.61 -1.20 0.00 0.00 0.00 175.10 173.92 1ozi n SER 77 N 8.27 3.58 -4.42 3.32 7.64 -1.26 -1.41 113.62 129.35 1ozi n SER 77 Ca -0.01 1.10 -0.44 0.00 1.01 0.00 0.00 58.87 60.53 1ozi n SER 77 Cb 0.47 -1.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1ozi n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ozi s LEU 78 N 0.45 5.51 0.17 -3.43 1.43 0.41 -4.76 118.68 118.46 1ozi s LEU 78 Ca 0.71 -3.21 0.08 0.00 -1.03 0.00 0.00 54.13 50.69 1ozi s LEU 78 Cb -0.56 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1ozi s LEU 78 CO 0.41 -0.58 1.39 -0.33 0.23 0.00 0.00 176.35 177.46 1ozi h GLU 79 N 6.99 0.01 0.00 1.70 5.08 -1.85 -3.37 114.58 123.13 1ozi h GLU 79 Ca 0.27 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.38 1ozi h GLU 79 Cb 0.87 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.98 1ozi h GLU 79 CO 1.16 0.88 -0.42 0.41 -1.00 0.00 0.00 179.01 180.04 1ozi n GLY 80 N 0.98 0.66 3.78 -3.84 0.00 -1.26 -4.87 105.19 100.65 1ozi n GLY 80 Ca -0.01 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 0.26 3.62 0.55 4.61 0.00 -1.26 -5.09 121.76 124.44 1ozi s ALA 81 Ca 0.22 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1ozi s ALA 81 Cb 0.30 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1ozi s ALA 81 CO -0.06 0.52 0.88 -0.08 0.00 0.00 0.00 175.76 177.03 1ozi s THR 82 N -0.72 4.50 0.28 0.00 -1.32 -1.26 -4.82 115.64 112.30 1ozi s THR 82 Ca 0.12 0.32 0.03 0.00 -1.21 0.00 0.00 61.69 60.95 1ozi s THR 82 Cb -0.12 -3.75 0.27 0.00 -1.51 0.00 0.00 72.50 67.39 1ozi s THR 82 CO 0.03 -0.82 1.75 1.12 -2.21 0.00 0.00 174.62 174.49 1ozi h HIS 83 N -0.04 0.85 0.00 9.09 2.07 -1.89 0.17 115.15 125.40 1ozi h HIS 83 Ca -0.46 0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 57.06 1ozi h HIS 83 Cb 1.22 -0.24 -0.00 0.00 2.57 0.00 0.00 27.41 30.95 1ozi h HIS 83 CO 0.57 0.15 -0.16 0.87 -3.07 0.00 0.00 177.93 176.29 1ozi h LYS 84 N 0.62 0.00 -0.30 5.12 1.79 -1.93 -0.91 116.57 120.96 1ozi h LYS 84 Ca 0.53 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.83 1ozi h LYS 84 Cb 0.84 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1ozi h LYS 84 CO -0.41 0.16 -0.46 1.96 -1.08 0.00 0.00 179.45 179.62 1ozi h GLN 85 N 0.00 0.84 -0.42 3.15 1.08 -1.05 0.18 115.11 118.90 1ozi h GLN 85 Ca -0.00 -0.50 -0.02 0.00 -1.45 0.00 0.00 58.65 56.68 1ozi h GLN 85 Cb 0.51 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1ozi h GLN 85 CO 0.02 1.14 0.19 0.00 -0.95 0.00 0.00 178.83 179.23 1ozi h ALA 86 N 0.69 0.54 -0.19 3.87 0.00 -0.93 -2.02 119.26 121.22 1ozi h ALA 86 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1ozi h ALA 86 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ozi h ALA 86 CO 0.11 0.11 -0.39 0.28 0.00 0.00 0.00 179.25 179.36 1ozi h VAL 87 N 0.53 1.30 0.00 0.00 2.07 -1.02 -1.12 116.25 118.02 1ozi h VAL 87 Ca 0.14 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.05 1ozi h VAL 87 Cb 0.14 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ozi h VAL 87 CO -0.02 0.47 -0.46 1.05 0.02 0.00 0.00 177.57 178.64 1ozi h GLU 88 N 0.36 0.00 0.00 1.57 4.11 -0.46 0.21 114.58 120.37 1ozi h GLU 88 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.39 1ozi h GLU 88 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ozi h GLU 88 CO 0.07 0.46 -0.36 1.15 0.07 0.00 0.00 179.01 180.39 1ozi h THR 89 N 0.00 0.83 0.00 -1.06 2.02 -0.80 0.22 112.91 114.12 1ozi h THR 89 Ca -0.00 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1ozi h THR 89 Cb 0.93 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.28 1ozi h THR 89 CO 0.06 0.36 -0.32 -0.07 0.37 0.00 0.00 175.52 175.91 1ozi h LEU 90 N 0.00 0.00 0.15 2.58 3.38 0.10 -1.72 115.31 119.81 1ozi h LEU 90 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1ozi h LEU 90 Cb 0.92 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.69 1ozi h LEU 90 CO 0.05 0.32 -1.32 -0.09 0.09 0.00 0.00 178.44 177.49 1ozi h ARG 91 N 0.00 0.48 -0.37 1.13 9.65 0.03 -3.30 114.38 122.00 1ozi h ARG 91 Ca -0.00 -0.75 -0.10 0.00 -1.10 0.00 0.00 59.98 58.03 1ozi h ARG 91 Cb 1.22 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 30.05 1ozi h ARG 91 CO 0.04 1.34 -0.17 -0.91 2.80 0.00 0.00 179.97 183.08 1ozi h ASN 92 N 0.17 0.69 -4.30 -3.80 -0.26 -0.51 -3.45 115.58 104.12 1ozi h ASN 92 Ca -0.19 -0.22 -0.51 0.00 -0.56 0.00 0.00 56.30 54.81 1ozi h ASN 92 Cb 2.01 -0.19 0.13 0.00 -1.06 0.00 0.00 38.32 39.21 1ozi h ASN 92 CO 0.24 0.87 0.32 0.42 -1.06 0.00 0.00 177.43 178.22 1ozi s THR 93 N -4.68 3.28 0.00 2.81 -4.23 -0.65 -5.06 115.64 107.11 1ozi s THR 93 Ca -0.09 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1ozi s THR 93 Cb 0.14 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1ozi s THR 93 CO 0.82 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1ozi n GLY 94 N -1.07 0.08 0.12 3.99 0.00 -1.26 -4.96 105.19 102.09 1ozi n GLY 94 Ca 0.09 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 0.17 -4.95 1.61 4.15 -1.97 -3.44 115.11 110.68 1ozi h GLN 95 Ca 0.00 -0.29 -0.66 0.00 0.77 0.00 0.00 58.65 58.47 1ozi h GLN 95 Cb 0.00 0.11 -0.25 0.00 0.21 0.00 0.00 27.48 27.55 1ozi h GLN 95 CO 0.00 1.14 -0.66 0.54 -1.93 0.00 0.00 178.83 177.92 1ozi s VAL 96 N -2.45 3.95 -0.21 2.39 0.11 -1.26 -0.51 120.40 122.41 1ozi s VAL 96 Ca -0.23 -0.34 -0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1ozi s VAL 96 Cb 0.05 -2.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1ozi s VAL 96 CO 0.71 0.34 0.09 -0.69 -3.33 0.00 0.00 175.10 172.23 1ozi s VAL 97 N 1.56 4.84 -0.34 2.04 1.01 0.10 -4.94 120.40 124.68 1ozi s VAL 97 Ca 0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1ozi s VAL 97 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1ozi s VAL 97 CO 0.01 0.40 0.47 -1.00 0.00 0.00 0.00 175.10 174.98 1ozi s HIS 98 N 0.85 3.20 -0.09 5.22 3.76 -1.26 -0.02 115.29 126.96 1ozi s HIS 98 Ca 0.05 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1ozi s HIS 98 Cb -0.13 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1ozi s HIS 98 CO 0.03 -0.48 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.15 1ozi s LEU 99 N 2.29 2.84 -0.45 0.89 2.96 0.59 0.45 118.68 128.26 1ozi s LEU 99 Ca 0.17 -0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.66 1ozi s LEU 99 Cb -0.16 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.95 1ozi s LEU 99 CO 0.12 0.28 0.75 -0.22 -1.32 0.00 0.00 176.35 175.97 1ozi s LEU 100 N -0.33 4.32 0.32 -0.68 1.98 0.68 -0.37 118.68 124.59 1ozi s LEU 100 Ca 0.04 -0.17 0.08 0.00 -2.89 0.00 0.00 54.13 51.18 1ozi s LEU 100 Cb -0.13 -2.90 -0.06 0.00 0.66 0.00 0.00 46.19 43.76 1ozi s LEU 100 CO 0.02 -0.89 -0.07 -0.76 -1.89 0.00 0.00 176.35 172.77 1ozi s LEU 101 N 3.18 2.61 0.01 -0.68 1.02 0.54 -0.09 118.68 125.26 1ozi s LEU 101 Ca 0.28 -1.21 0.04 0.00 0.02 0.00 0.00 54.13 53.26 1ozi s LEU 101 Cb -0.13 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.25 1ozi s LEU 101 CO 0.22 -0.29 -0.11 -0.70 0.02 0.00 0.00 176.35 175.49 1ozi s GLU 102 N -3.67 0.84 0.12 1.70 2.12 0.34 -0.63 118.70 119.52 1ozi s GLU 102 Ca 0.31 -0.53 -0.35 0.00 0.36 0.00 0.00 54.97 54.76 1ozi s GLU 102 Cb 0.03 -0.81 -0.15 0.00 0.26 0.00 0.00 34.13 33.46 1ozi s GLU 102 CO 0.14 0.21 1.45 1.63 -0.54 0.00 0.00 175.26 178.16 1ozi n LYS 103 N 2.42 1.61 -3.10 4.30 4.76 -0.88 -1.71 118.16 125.56 1ozi n LYS 103 Ca -0.16 0.58 -0.26 0.00 -2.87 0.00 0.00 58.31 55.61 1ozi n LYS 103 Cb 0.56 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 31.41 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 104 N 2.94 5.04 0.18 0.72 0.00 -1.26 -4.21 105.19 108.60 1ozi n GLY 104 Ca 0.18 -2.59 -0.10 0.00 0.00 0.00 0.00 46.02 43.51 1ozi n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ozi h GLN 105 N 3.32 0.43 -2.80 1.61 4.20 -1.92 -3.28 115.11 116.66 1ozi h GLN 105 Ca 0.14 -0.33 -0.32 0.00 0.06 0.00 0.00 58.65 58.20 1ozi h GLN 105 Cb 0.62 0.06 -0.36 0.00 0.30 0.00 0.00 27.48 28.10 1ozi h GLN 105 CO 0.77 0.96 -0.64 0.08 -0.67 0.00 0.00 178.83 179.33 1ozi s VAL 106 N -3.69 -0.28 -1.88 -0.54 1.01 -1.26 -5.05 120.40 108.71 1ozi s VAL 106 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1ozi s VAL 106 Cb 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1ozi s VAL 106 CO 0.84 -0.07 0.47 -2.65 0.00 0.00 0.00 175.10 173.69