#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 2.72 0.00 1.97 0.02 -1.26 -1.63 135.00 136.81 1ozi s PRO 10 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 61.00 60.45 1ozi s PRO 10 Cb 0.00 -5.14 0.00 0.00 0.02 0.00 0.00 34.50 29.38 1ozi s PRO 10 CO 0.00 -3.28 0.00 0.41 -0.33 0.00 0.00 177.00 173.80 1ozi n GLY 11 N 6.67 1.20 3.91 0.52 0.00 -1.26 -5.08 105.19 111.15 1ozi n GLY 11 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 1ozi n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 12 N -1.38 5.89 -0.02 1.61 1.01 -0.65 -4.85 116.67 118.28 1ozi s ASP 12 Ca 0.00 -0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.11 1ozi s ASP 12 Cb 0.00 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.34 1ozi s ASP 12 CO 0.00 -0.11 0.13 0.42 0.21 0.00 0.00 175.17 175.82 1ozi s THR 13 N -2.08 5.14 0.03 -1.27 -4.23 -1.26 -0.65 115.64 111.31 1ozi s THR 13 Ca 0.35 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1ozi s THR 13 Cb -0.08 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1ozi s THR 13 CO 0.27 0.37 0.28 0.72 -0.54 0.00 0.00 174.62 175.72 1ozi s PHE 14 N -1.23 -0.08 -0.15 3.99 -0.71 0.73 -4.95 117.98 115.57 1ozi s PHE 14 Ca 0.24 -0.03 -0.06 0.00 -1.04 0.00 0.00 56.93 56.04 1ozi s PHE 14 Cb -0.12 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1ozi s PHE 14 CO 0.15 -0.46 0.07 -1.21 -1.34 0.00 0.00 175.22 172.43 1ozi s GLU 15 N -2.28 3.72 -0.04 1.99 8.01 -1.26 0.24 118.70 129.07 1ozi s GLU 15 Ca -0.07 -0.31 0.02 0.00 0.01 0.00 0.00 54.97 54.62 1ozi s GLU 15 Cb -0.02 -3.14 0.01 0.00 -4.31 0.00 0.00 34.13 26.67 1ozi s GLU 15 CO -0.02 0.44 -0.09 0.54 0.01 0.00 0.00 175.26 176.14 1ozi s VAL 16 N -0.10 0.84 -0.94 2.63 0.11 0.11 -4.98 120.40 118.08 1ozi s VAL 16 Ca 0.07 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 1ozi s VAL 16 Cb -0.12 -0.78 0.24 0.00 -1.53 0.00 0.00 36.38 34.19 1ozi s VAL 16 CO 0.01 0.28 0.89 -1.61 -3.33 0.00 0.00 175.10 171.34 1ozi s GLU 17 N 0.51 3.77 -0.17 1.54 2.02 -1.24 -0.20 118.70 124.93 1ozi s GLU 17 Ca -0.09 -2.83 -0.29 0.00 0.02 0.00 0.00 54.97 51.78 1ozi s GLU 17 Cb -0.12 -4.41 -0.01 0.00 0.10 0.00 0.00 34.13 29.69 1ozi s GLU 17 CO 0.01 -1.26 1.16 -1.17 0.02 0.00 0.00 175.26 174.02 1ozi s LEU 18 N -0.54 4.17 -0.21 1.80 1.98 0.13 -4.71 118.68 121.29 1ozi s LEU 18 Ca 0.24 1.58 -0.17 0.00 -2.89 0.00 0.00 54.13 52.88 1ozi s LEU 18 Cb -0.10 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.17 1ozi s LEU 18 CO -0.08 -0.69 0.48 0.00 -1.89 0.00 0.00 176.35 174.16 1ozi s ALA 19 N 3.16 3.56 -0.27 5.97 0.00 -1.26 -0.67 121.76 132.25 1ozi s ALA 19 Ca 0.50 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1ozi s ALA 19 Cb -0.19 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1ozi s ALA 19 CO 0.12 -0.46 1.72 0.15 0.00 0.00 0.00 175.76 177.29 1ozi s LYS 20 N 1.67 3.57 -0.68 0.00 1.02 0.09 -4.77 119.74 120.65 1ozi s LYS 20 Ca 0.22 1.58 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 1ozi s LYS 20 Cb -0.15 -4.12 0.17 0.00 -0.52 0.00 0.00 37.83 33.21 1ozi s LYS 20 CO 0.09 -1.57 0.51 -0.08 -0.92 0.00 0.00 175.35 173.38 1ozi s THR 21 N 6.03 3.94 0.00 2.17 -1.32 -1.26 -4.75 115.64 120.45 1ozi s THR 21 Ca 0.76 -3.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.18 1ozi s THR 21 Cb -0.24 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 1ozi s THR 21 CO 0.32 -0.92 0.00 -0.67 -2.21 0.00 0.00 174.62 171.14 1ozi n ASP 22 N 3.35 0.00 0.00 8.08 2.03 -1.26 -4.62 116.55 124.13 1ozi n ASP 22 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1ozi n ASP 22 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 1.05 0.00 0.27 0.00 -1.26 -5.14 105.19 100.11 1ozi n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozi n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozi n SER 24 N 0.00 0.00 -4.53 1.61 7.64 -1.26 -5.05 113.62 112.03 1ozi n SER 24 Ca 0.00 -0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.23 1ozi n SER 24 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ozi n SER 24 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ozi s LEU 25 N 0.00 4.34 -0.10 -3.43 2.96 -1.26 -4.37 118.68 116.81 1ozi s LEU 25 Ca 0.00 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1ozi s LEU 25 Cb 0.00 -2.87 -0.19 0.00 0.50 0.00 0.00 46.19 43.63 1ozi s LEU 25 CO 0.00 -0.91 2.83 0.61 -1.32 0.00 0.00 176.35 177.55 1ozi n GLY 26 N 5.02 2.60 2.91 7.98 0.00 -0.98 -4.75 105.19 117.97 1ozi n GLY 26 Ca 0.01 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 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 1.61 0.97 -0.21 -0.61 -4.36 -1.26 -0.56 121.20 116.78 1ozi s ILE 27 Ca 0.51 -0.28 -0.15 0.00 -0.26 0.00 0.00 60.65 60.46 1ozi s ILE 27 Cb 0.23 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.92 1ozi s ILE 27 CO -0.00 0.35 0.38 -0.55 0.24 0.00 0.00 174.94 175.35 1ozi s SER 28 N 1.52 6.40 0.23 4.36 0.15 0.10 -4.99 113.70 121.47 1ozi s SER 28 Ca 0.01 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.24 1ozi s SER 28 Cb -0.13 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1ozi s SER 28 CO -0.06 -0.07 -0.19 0.68 1.20 0.00 0.00 173.24 174.80 1ozi s VAL 29 N 1.33 2.60 0.06 4.45 -7.23 -1.26 0.84 120.40 121.18 1ozi s VAL 29 Ca 0.18 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1ozi s VAL 29 Cb -0.15 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1ozi s VAL 29 CO 0.08 -0.23 0.03 0.28 -0.31 0.00 0.00 175.10 174.94 1ozi s THR 30 N -2.00 0.19 -0.21 5.32 -1.32 0.12 -4.75 115.64 112.99 1ozi s THR 30 Ca 0.25 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 59.15 1ozi s THR 30 Cb -0.07 -1.40 0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1ozi s THR 30 CO 0.13 -0.88 -0.15 -0.69 -2.21 0.00 0.00 174.62 170.82 1ozi s VAL 31 N -3.75 2.01 -0.07 5.08 1.01 -1.26 -0.42 120.40 122.99 1ozi s VAL 31 Ca 0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1ozi s VAL 31 Cb 0.06 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ozi s VAL 31 CO -0.10 0.28 0.13 -1.48 0.00 0.00 0.00 175.10 173.94 1ozi s LEU 32 N 1.25 0.14 0.00 3.92 -0.00 -1.26 -4.91 118.68 117.82 1ozi s LEU 32 Ca -0.01 0.27 -0.01 0.00 -0.00 0.00 0.00 54.13 54.38 1ozi s LEU 32 Cb -0.16 0.20 -0.00 0.00 -0.00 0.00 0.00 46.19 46.23 1ozi s LEU 32 CO -0.09 -0.23 -0.02 0.49 -0.00 0.00 0.00 176.35 176.50 1ozi n PHE 33 N 5.10 0.00 -3.18 3.48 3.72 -1.26 -5.02 117.46 120.30 1ozi n PHE 33 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ozi n PHE 33 Cb 0.50 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ozi n ASP 34 N -2.73 0.00 -1.18 4.37 5.75 -1.26 -4.52 116.55 116.98 1ozi n ASP 34 Ca -0.01 -0.99 0.11 0.00 -0.01 0.00 0.00 54.79 53.89 1ozi n ASP 34 Cb 0.03 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.38 1ozi n ASP 34 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ozi n LYS 35 N 0.00 2.61 -1.45 0.11 4.81 -1.26 -4.89 118.16 118.09 1ozi n LYS 35 Ca 0.00 -2.43 0.00 0.00 -0.87 0.00 0.00 58.31 55.01 1ozi n LYS 35 Cb 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ozi n GLY 36 N 1.45 0.98 0.00 3.14 0.00 -1.26 -5.00 105.19 104.50 1ozi n GLY 36 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.38 1.59 2.80 -0.02 0.00 -1.26 -5.11 105.19 102.81 1ozi n GLY 37 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1ozi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi s VAL 38 N 2.03 1.29 -0.01 1.61 0.11 -1.26 -5.08 120.40 119.09 1ozi s VAL 38 Ca 0.00 -1.78 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 1ozi s VAL 38 Cb 0.00 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.90 1ozi s VAL 38 CO 0.00 -0.69 -0.00 0.20 -3.33 0.00 0.00 175.10 171.28 1ozi s ASN 39 N 1.28 0.19 -1.37 3.54 -0.87 -1.26 -4.99 114.94 111.46 1ozi s ASN 39 Ca 0.11 -0.01 -0.14 0.00 -1.57 0.00 0.00 52.86 51.24 1ozi s ASN 39 Cb -0.19 -0.06 0.08 0.00 -0.02 0.00 0.00 41.25 41.06 1ozi s ASN 39 CO -0.18 -0.03 1.99 1.07 -2.57 0.00 0.00 177.10 177.39 1ozi n THR 40 N 3.43 3.78 -3.07 1.60 5.66 -1.26 -4.56 114.28 119.86 1ozi n THR 40 Ca -0.17 -3.63 -0.05 0.00 -3.05 0.00 0.00 64.05 57.15 1ozi n THR 40 Cb 0.56 -2.49 -0.02 0.00 -1.55 0.00 0.00 70.33 66.83 1ozi n THR 40 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ozi s SER 41 N 3.05 -0.98 -0.43 1.09 0.01 -1.26 -5.06 113.70 110.13 1ozi s SER 41 Ca 0.47 -1.39 0.06 0.00 1.31 0.00 0.00 55.95 56.41 1ozi s SER 41 Cb 0.10 1.61 0.22 0.00 0.21 0.00 0.00 66.02 68.16 1ozi s SER 41 CO -0.03 -0.14 0.48 0.55 0.41 0.00 0.00 173.24 174.51 1ozi n VAL 42 N 3.74 -0.57 -3.25 3.43 3.14 -1.26 -4.26 118.33 119.29 1ozi n VAL 42 Ca 0.15 -3.93 -0.39 0.00 -2.96 0.00 0.00 64.34 57.21 1ozi n VAL 42 Cb 0.55 -1.88 -0.06 0.00 -1.06 0.00 0.00 33.84 31.39 1ozi n VAL 42 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1ozi s ARG 43 N -0.87 4.25 -0.11 1.45 1.81 -1.26 -5.02 118.95 119.19 1ozi s ARG 43 Ca 0.34 0.45 -0.29 0.00 -1.72 0.00 0.00 55.73 54.51 1ozi s ARG 43 Cb 0.12 -3.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.07 1ozi s ARG 43 CO -0.14 -0.05 1.43 -1.01 -0.68 0.00 0.00 175.30 174.85 1ozi s HIS 44 N 1.30 2.49 0.00 -0.53 3.76 -1.26 -4.66 115.29 116.39 1ozi s HIS 44 Ca 0.25 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1ozi s HIS 44 Cb -0.15 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 29.86 1ozi s HIS 44 CO 0.10 -2.61 0.00 0.41 -0.85 0.00 0.00 174.74 171.79 1ozi n GLY 45 N 3.83 -0.33 2.05 -2.22 0.00 -1.26 -5.08 105.19 102.17 1ozi n GLY 45 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -1.81 3.90 -0.02 0.00 -1.24 -0.56 105.19 105.45 1ozi n GLY 46 Ca 0.00 0.43 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.19 5.37 -0.24 -0.61 -1.09 -0.17 -4.63 121.20 118.63 1ozi s ILE 47 Ca 0.00 -0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1ozi s ILE 47 Cb 0.00 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 1ozi s ILE 47 CO 0.00 0.27 0.01 -0.31 -1.23 0.00 0.00 174.94 173.68 1ozi s TYR 48 N -1.37 1.89 -0.22 3.97 1.51 0.44 -0.06 117.35 123.51 1ozi s TYR 48 Ca 0.29 -1.52 -0.39 0.00 -1.01 0.00 0.00 57.07 54.43 1ozi s TYR 48 Cb -0.13 -1.49 -0.16 0.00 -0.11 0.00 0.00 41.96 40.07 1ozi s TYR 48 CO 0.21 -0.75 1.68 0.28 -1.11 0.00 0.00 175.55 175.86 1ozi n VAL 49 N 4.81 0.26 -0.03 0.71 0.31 -0.17 0.12 118.33 124.34 1ozi n VAL 49 Ca -0.08 -0.05 -0.17 0.00 -0.01 0.00 0.00 64.34 64.02 1ozi n VAL 49 Cb 0.45 -1.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.07 1ozi n VAL 49 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ozi n LYS 50 N 4.93 0.71 -3.50 5.55 4.81 0.25 0.23 118.16 131.13 1ozi n LYS 50 Ca 0.25 0.23 -0.11 0.00 -0.87 0.00 0.00 58.31 57.81 1ozi n LYS 50 Cb 0.14 -1.68 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ozi s ALA 51 N -2.56 -1.51 -0.15 3.14 0.00 -0.80 -4.57 121.76 115.31 1ozi s ALA 51 Ca -0.20 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1ozi s ALA 51 Cb 0.07 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.07 1ozi s ALA 51 CO 0.76 -0.82 -0.15 0.42 0.00 0.00 0.00 175.76 175.97 1ozi s ILE 52 N -3.78 2.71 0.13 0.00 -1.09 -1.26 -0.72 121.20 117.18 1ozi s ILE 52 Ca 0.03 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.39 1ozi s ILE 52 Cb -0.02 -2.14 -0.07 0.00 -1.58 0.00 0.00 42.46 38.65 1ozi s ILE 52 CO -0.09 0.51 1.08 -0.63 -1.23 0.00 0.00 174.94 174.58 1ozi s ILE 53 N 0.79 4.08 0.22 2.92 1.09 0.28 -4.97 121.20 125.60 1ozi s ILE 53 Ca -0.06 1.71 -0.32 0.00 -1.10 0.00 0.00 60.65 60.88 1ozi s ILE 53 Cb -0.15 -4.09 -0.12 0.00 -1.06 0.00 0.00 42.46 37.03 1ozi s ILE 53 CO 0.00 0.25 1.70 -2.65 -0.10 0.00 0.00 174.94 174.15 1ozi n PRO 54 N 2.80 2.74 -0.37 2.79 -0.02 -1.26 -1.02 135.00 140.66 1ozi n PRO 54 Ca 0.04 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1ozi n PRO 54 Cb 0.47 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ozi n LYS 55 N 3.73 0.00 -2.01 -0.52 3.00 -1.26 -4.88 118.16 116.22 1ozi n LYS 55 Ca 0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.04 1ozi n LYS 55 Cb 0.35 -3.15 -0.00 0.00 0.00 0.00 0.00 35.03 32.22 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 56 N -2.00 4.65 5.03 3.14 0.00 -0.19 -4.75 105.19 111.08 1ozi n GLY 56 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 4.42 0.00 -0.11 4.61 0.00 -1.26 -2.32 120.51 125.85 1ozi n ALA 57 Ca 0.49 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.00 1ozi n ALA 57 Cb 0.35 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.51 1.76 0.19 0.00 0.00 -1.86 0.67 119.26 119.51 1ozi h ALA 58 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1ozi h ALA 58 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ozi h ALA 58 CO 0.00 0.15 -1.77 1.49 0.00 0.00 0.00 179.25 179.12 1ozi h GLU 59 N 0.63 0.39 -0.34 0.00 4.81 -1.79 0.53 114.58 118.82 1ozi h GLU 59 Ca 0.26 -0.67 -0.13 0.00 -0.13 0.00 0.00 59.36 58.69 1ozi h GLU 59 Cb 0.21 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1ozi h GLU 59 CO -0.07 1.32 -0.30 0.77 -0.73 0.00 0.00 179.01 180.00 1ozi h SER 60 N 0.11 0.76 0.57 1.04 0.02 -1.66 -2.74 113.55 111.64 1ozi h SER 60 Ca -0.35 -0.30 -0.28 0.00 -0.84 0.00 0.00 61.79 60.02 1ozi h SER 60 Cb 2.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.42 1ozi h SER 60 CO 0.18 1.00 -1.38 -0.78 -1.14 0.00 0.00 176.83 174.70 1ozi h ASP 61 N 0.62 0.34 -1.77 3.07 3.58 0.20 -3.49 116.42 118.97 1ozi h ASP 61 Ca 0.07 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1ozi h ASP 61 Cb 0.81 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1ozi h ASP 61 CO 0.07 1.35 0.00 0.61 -2.88 0.00 0.00 179.24 178.39 1ozi n GLY 62 N 1.58 0.55 0.88 -0.78 0.00 0.04 -5.04 105.19 102.42 1ozi n GLY 62 Ca -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.89 0.09 -3.01 1.61 5.12 -0.38 -5.02 116.66 114.18 1ozi n ARG 63 Ca 0.00 0.04 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 1ozi n ARG 63 Cb 0.40 -0.66 -0.06 0.00 -1.16 0.00 0.00 32.46 30.98 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 -2.13 4.49 0.25 0.55 -1.09 -1.23 -5.08 121.20 116.96 1ozi s ILE 64 Ca -0.06 1.38 0.08 0.00 -2.23 0.00 0.00 60.65 59.82 1ozi s ILE 64 Cb 0.01 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1ozi s ILE 64 CO 0.08 0.11 -0.10 -1.00 -1.23 0.00 0.00 174.94 172.79 1ozi s HIS 65 N -1.64 1.91 0.32 3.97 3.76 -1.26 -4.65 115.29 117.68 1ozi s HIS 65 Ca 0.47 -0.61 -0.27 0.00 -0.15 0.00 0.00 55.06 54.50 1ozi s HIS 65 Cb -0.16 -0.99 -0.09 0.00 1.11 0.00 0.00 32.58 32.44 1ozi s HIS 65 CO 0.21 0.36 0.99 -1.59 -0.85 0.00 0.00 174.74 173.86 1ozi s LYS 66 N -3.67 4.56 0.00 1.40 -2.85 -1.26 -3.17 119.74 114.74 1ozi s LYS 66 Ca 0.27 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.72 1ozi s LYS 66 Cb 0.01 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 1ozi s LYS 66 CO 0.10 0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.19 1ozi n GLY 67 N 0.80 2.67 3.76 0.59 0.00 0.13 -4.63 105.19 108.51 1ozi n GLY 67 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 0.26 5.57 0.06 1.61 1.01 -1.19 -4.08 116.67 119.91 1ozi s ASP 68 Ca 0.00 2.55 -0.06 0.00 0.71 0.00 0.00 52.55 55.75 1ozi s ASP 68 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1ozi s ASP 68 CO 0.00 -1.35 0.31 -0.13 0.21 0.00 0.00 175.17 174.21 1ozi s ARG 69 N -2.89 3.60 -0.19 8.23 0.52 0.13 -1.00 118.95 127.35 1ozi s ARG 69 Ca 0.70 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.80 1ozi s ARG 69 Cb -0.35 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 1ozi s ARG 69 CO 0.41 0.59 -0.08 0.54 0.02 0.00 0.00 175.30 176.78 1ozi s VAL 70 N -1.42 3.25 -0.06 3.52 0.11 0.91 -0.12 120.40 126.58 1ozi s VAL 70 Ca 0.32 -0.55 0.12 0.00 -2.93 0.00 0.00 61.98 58.94 1ozi s VAL 70 Cb -0.13 -2.44 -0.18 0.00 -1.53 0.00 0.00 36.38 32.10 1ozi s VAL 70 CO 0.20 0.47 0.18 0.18 -3.33 0.00 0.00 175.10 172.80 1ozi n LEU 71 N 4.30 0.00 -3.78 2.54 4.77 0.63 -1.00 117.00 124.46 1ozi n LEU 71 Ca -0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.78 1ozi n LEU 71 Cb 0.51 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ozi n LEU 71 CO 0.30 0.13 0.82 0.00 -1.33 0.00 0.00 177.39 177.31 1ozi s ALA 72 N -2.65 -1.76 -0.14 -1.18 0.00 -0.85 0.35 121.76 115.52 1ozi s ALA 72 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1ozi s ALA 72 Cb 0.06 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1ozi s ALA 72 CO 0.53 -1.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.26 1ozi s VAL 73 N -2.73 0.96 -1.50 0.00 1.01 0.14 0.45 120.40 118.74 1ozi s VAL 73 Ca 0.16 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 1ozi s VAL 73 Cb -0.01 -1.11 0.09 0.00 0.00 0.00 0.00 36.38 35.36 1ozi s VAL 73 CO 0.02 0.20 0.79 -0.46 0.00 0.00 0.00 175.10 175.65 1ozi n ASN 74 N 4.94 -4.32 0.00 3.32 0.23 0.22 -0.23 115.26 119.41 1ozi n ASN 74 Ca -0.11 -0.68 0.00 0.00 -0.53 0.00 0.00 54.58 53.25 1ozi n ASN 74 Cb 0.49 -3.50 0.00 0.00 -2.08 0.00 0.00 39.78 34.69 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ozi n GLY 75 N -1.48 1.75 3.54 4.83 0.00 -1.26 -5.00 105.19 107.58 1ozi n GLY 75 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.79 4.29 0.29 1.61 1.01 0.68 -4.98 120.40 120.51 1ozi s VAL 76 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 1ozi s VAL 76 Cb 0.00 -4.59 -0.10 0.00 0.00 0.00 0.00 36.38 31.69 1ozi s VAL 76 CO 0.00 -1.17 1.45 -0.44 0.00 0.00 0.00 175.10 174.95 1ozi s SER 77 N 2.85 6.57 -0.09 3.32 0.01 -1.26 -0.68 113.70 124.42 1ozi s SER 77 Ca 0.34 2.79 0.13 0.00 1.31 0.00 0.00 55.95 60.52 1ozi s SER 77 Cb -0.11 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 63.71 1ozi s SER 77 CO 0.21 -0.74 1.13 0.18 0.41 0.00 0.00 173.24 174.44 1ozi n LEU 78 N 1.71 2.40 -4.66 2.44 4.77 0.15 -4.89 117.00 118.92 1ozi n LEU 78 Ca 0.05 -2.74 -0.42 0.00 -0.03 0.00 0.00 56.01 52.86 1ozi n LEU 78 Cb 0.40 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1ozi n LEU 78 CO 0.61 0.65 1.37 -1.61 -1.33 0.00 0.00 177.39 177.08 1ozi s GLU 79 N -2.28 4.14 0.00 3.23 2.02 -1.03 -1.30 118.70 123.47 1ozi s GLU 79 Ca 0.24 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1ozi s GLU 79 Cb 0.20 -3.99 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1ozi s GLU 79 CO 0.03 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.83 1ozi n GLY 80 N 4.17 0.71 3.95 -1.39 0.00 0.27 -4.91 105.19 107.99 1ozi n GLY 80 Ca 0.17 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 3.80 0.27 4.61 0.00 -0.42 -5.06 121.76 122.96 1ozi s ALA 81 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1ozi s ALA 81 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1ozi s ALA 81 CO 0.00 0.15 0.44 -0.08 0.00 0.00 0.00 175.76 176.27 1ozi s THR 82 N -2.12 5.19 0.23 0.00 -1.32 -1.26 -4.62 115.64 111.74 1ozi s THR 82 Ca 0.38 -0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 60.16 1ozi s THR 82 Cb -0.10 -3.83 0.20 0.00 -1.51 0.00 0.00 72.50 67.27 1ozi s THR 82 CO 0.32 -0.39 1.71 1.12 -2.21 0.00 0.00 174.62 175.18 1ozi h HIS 83 N 1.19 0.37 -0.17 9.09 2.07 -1.91 -0.89 115.15 124.89 1ozi h HIS 83 Ca -0.50 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.00 1ozi h HIS 83 Cb 1.22 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 1ozi h HIS 83 CO 0.50 0.00 -0.13 1.57 -3.07 0.00 0.00 177.93 176.80 1ozi h LYS 84 N 0.35 0.28 -0.43 5.12 5.09 -1.95 -1.27 116.57 123.75 1ozi h LYS 84 Ca 0.38 -0.07 -0.11 0.00 0.09 0.00 0.00 60.65 60.95 1ozi h LYS 84 Cb 0.60 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.87 1ozi h LYS 84 CO -0.43 0.42 -0.16 1.96 -2.09 0.00 0.00 179.45 179.15 1ozi h GLN 85 N 0.26 0.81 -0.27 0.07 1.08 -1.58 0.12 115.11 115.60 1ozi h GLN 85 Ca 0.05 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1ozi h GLN 85 Cb 0.40 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1ozi h GLN 85 CO 0.02 0.91 0.10 0.00 -0.95 0.00 0.00 178.83 178.91 1ozi h ALA 86 N 1.10 0.35 -0.33 3.87 0.00 -0.80 -2.40 119.26 121.05 1ozi h ALA 86 Ca 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ozi h ALA 86 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ozi h ALA 86 CO 0.05 -0.04 -0.03 0.28 0.00 0.00 0.00 179.25 179.50 1ozi h VAL 87 N 0.27 1.20 -0.27 0.00 2.07 -0.81 -1.61 116.25 117.11 1ozi h VAL 87 Ca 0.09 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1ozi h VAL 87 Cb 0.21 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ozi h VAL 87 CO -0.01 0.28 0.18 -0.33 0.02 0.00 0.00 177.57 177.72 1ozi h GLU 88 N 0.49 0.35 -0.90 1.57 5.08 -0.52 0.27 114.58 120.93 1ozi h GLU 88 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ozi h GLU 88 Cb 0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ozi h GLU 88 CO 0.02 0.23 0.55 1.15 -1.00 0.00 0.00 179.01 179.96 1ozi h THR 89 N 0.36 1.24 0.00 1.13 2.02 -0.91 0.13 112.91 116.89 1ozi h THR 89 Ca 0.10 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1ozi h THR 89 Cb -0.04 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1ozi h THR 89 CO -0.02 0.25 0.00 -0.11 0.37 0.00 0.00 175.52 176.01 1ozi n LEU 90 N -4.37 0.00 -0.01 2.58 7.94 -0.66 -1.39 117.00 121.10 1ozi n LEU 90 Ca 0.10 0.49 0.10 0.00 -1.11 0.00 0.00 56.01 55.59 1ozi n LEU 90 Cb 0.05 -0.49 -0.15 0.00 0.53 0.00 0.00 43.42 43.36 1ozi n LEU 90 CO 0.38 -0.02 -0.61 -1.14 -1.11 0.00 0.00 177.39 174.88 1ozi n ARG 91 N -1.49 0.58 0.01 1.96 0.63 0.87 -4.12 116.66 115.10 1ozi n ARG 91 Ca 0.07 -0.15 0.11 0.00 -0.92 0.00 0.00 57.85 56.96 1ozi n ARG 91 Cb 0.32 -1.48 0.11 0.00 0.45 0.00 0.00 32.46 31.87 1ozi n ARG 91 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ozi n ASN 92 N -2.08 0.63 -3.40 6.15 3.02 0.32 -4.88 115.26 115.02 1ozi n ASN 92 Ca -0.02 -0.33 -0.24 0.00 -0.03 0.00 0.00 54.58 53.96 1ozi n ASN 92 Cb 0.49 0.53 0.19 0.00 -0.61 0.00 0.00 39.78 40.38 1ozi n ASN 92 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ozi n THR 93 N -1.69 0.00 0.00 3.41 -2.24 -0.49 -5.07 114.28 108.20 1ozi n THR 93 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1ozi n THR 93 Cb 0.37 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1ozi n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozi n GLY 94 N -2.86 0.65 0.13 3.38 0.00 -1.26 -5.02 105.19 100.21 1ozi n GLY 94 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ozi n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ozi n GLN 95 N 0.00 0.62 -3.38 1.61 7.27 -1.26 -4.81 117.38 117.43 1ozi n GLN 95 Ca 0.00 0.26 -0.40 0.00 0.07 0.00 0.00 57.00 56.93 1ozi n GLN 95 Cb 0.00 -1.55 -0.09 0.00 2.41 0.00 0.00 30.24 31.01 1ozi n GLN 95 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ozi s VAL 96 N -2.50 5.15 -0.36 1.69 -7.23 -1.26 -0.73 120.40 115.16 1ozi s VAL 96 Ca -0.35 0.39 -0.13 0.00 -1.81 0.00 0.00 61.98 60.08 1ozi s VAL 96 Cb 0.11 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.29 1ozi s VAL 96 CO 0.56 0.04 0.24 -0.69 -0.31 0.00 0.00 175.10 174.94 1ozi s VAL 97 N 2.09 5.10 -1.28 1.32 1.01 0.16 -4.88 120.40 123.92 1ozi s VAL 97 Ca 0.14 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1ozi s VAL 97 Cb -0.16 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1ozi s VAL 97 CO 0.11 -0.11 2.82 1.57 0.00 0.00 0.00 175.10 179.49 1ozi n HIS 98 N 5.09 2.19 -2.30 5.22 -0.00 -1.23 -0.69 115.22 123.50 1ozi n HIS 98 Ca -0.12 -2.77 -0.39 0.00 0.46 0.00 0.00 57.72 54.90 1ozi n HIS 98 Cb 0.48 -2.10 -0.02 0.00 -0.12 0.00 0.00 29.99 28.23 1ozi n HIS 98 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1ozi s LEU 99 N -0.81 4.31 -0.34 0.27 0.20 0.72 0.69 118.68 123.71 1ozi s LEU 99 Ca 0.63 2.39 -0.12 0.00 0.69 0.00 0.00 54.13 57.73 1ozi s LEU 99 Cb 0.21 -3.88 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1ozi s LEU 99 CO -0.08 -0.55 0.22 -0.22 -0.29 0.00 0.00 176.35 175.43 1ozi s LEU 100 N -2.16 4.49 0.36 -0.68 1.98 0.17 -0.71 118.68 122.12 1ozi s LEU 100 Ca 0.53 -0.57 0.08 0.00 -2.89 0.00 0.00 54.13 51.28 1ozi s LEU 100 Cb -0.33 -2.09 -0.04 0.00 0.66 0.00 0.00 46.19 44.40 1ozi s LEU 100 CO 0.42 -0.26 0.18 -0.76 -1.89 0.00 0.00 176.35 174.03 1ozi s LEU 101 N 1.67 3.26 0.07 -0.68 1.02 0.14 -0.27 118.68 123.89 1ozi s LEU 101 Ca 0.05 -0.81 0.04 0.00 0.02 0.00 0.00 54.13 53.43 1ozi s LEU 101 Cb -0.18 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1ozi s LEU 101 CO 0.09 -0.38 -0.12 -0.70 0.02 0.00 0.00 176.35 175.26 1ozi s GLU 102 N -3.89 0.76 -0.22 1.70 2.12 0.82 -0.19 118.70 119.81 1ozi s GLU 102 Ca 0.39 -0.96 -0.41 0.00 0.36 0.00 0.00 54.97 54.35 1ozi s GLU 102 Cb -0.02 -0.64 -0.18 0.00 0.26 0.00 0.00 34.13 33.55 1ozi s GLU 102 CO 0.23 0.13 1.50 1.17 -0.54 0.00 0.00 175.26 177.76 1ozi n LYS 103 N 1.14 0.63 0.00 4.30 0.00 0.18 -0.69 118.16 123.72 1ozi n LYS 103 Ca -0.20 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ozi n LYS 103 Cb 0.55 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.76 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 104 N 3.33 0.98 3.87 3.14 0.00 -1.26 -4.27 105.19 110.98 1ozi n GLY 104 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1ozi n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ozi s GLN 105 N -0.69 3.83 -0.32 1.61 -2.07 -1.26 -4.27 119.66 116.48 1ozi s GLN 105 Ca 0.00 0.37 -0.12 0.00 -1.82 0.00 0.00 55.36 53.78 1ozi s GLN 105 Cb 0.00 -2.56 0.02 0.00 -1.09 0.00 0.00 33.01 29.38 1ozi s GLN 105 CO 0.00 0.22 0.31 0.28 -1.32 0.00 0.00 175.29 174.78 1ozi n VAL 106 N -0.44 -8.51 0.00 3.63 0.31 -1.26 -4.91 118.33 107.15 1ozi n VAL 106 Ca 0.01 0.99 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 1ozi n VAL 106 Cb 0.53 -5.75 0.00 0.00 -0.91 0.00 0.00 33.84 27.71 1ozi n VAL 106 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86