#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 1.97 0.02 -1.26 -1.28 135.00 138.69 1ozi s PRO 10 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1ozi s PRO 10 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1ozi s PRO 10 CO 0.00 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1ozi n GLY 11 N 3.81 0.75 3.83 0.52 0.00 0.23 -4.91 105.19 109.42 1ozi n GLY 11 Ca 0.14 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 6.01 0.10 1.61 2.15 -0.40 -4.79 116.67 119.25 1ozi s ASP 12 Ca 0.00 0.30 -0.18 0.00 0.43 0.00 0.00 52.55 53.10 1ozi s ASP 12 Cb 0.00 -1.84 -0.07 0.00 -0.30 0.00 0.00 42.92 40.71 1ozi s ASP 12 CO 0.00 0.33 0.57 0.42 -0.17 0.00 0.00 175.17 176.32 1ozi s THR 13 N -1.14 4.77 -0.05 1.71 -4.23 -1.26 -0.85 115.64 114.58 1ozi s THR 13 Ca 0.20 1.10 -0.13 0.00 -1.18 0.00 0.00 61.69 61.68 1ozi s THR 13 Cb -0.12 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.90 1ozi s THR 13 CO 0.11 0.44 0.31 0.72 -0.54 0.00 0.00 174.62 175.66 1ozi s PHE 14 N -1.24 -0.24 -0.24 3.99 -0.71 0.10 -4.96 117.98 114.69 1ozi s PHE 14 Ca 0.32 0.47 -0.10 0.00 -1.04 0.00 0.00 56.93 56.58 1ozi s PHE 14 Cb -0.18 0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 1ozi s PHE 14 CO 0.19 -0.31 0.16 -1.21 -1.34 0.00 0.00 175.22 172.70 1ozi s GLU 15 N -0.81 4.07 -0.14 1.99 2.02 -1.26 -0.83 118.70 123.74 1ozi s GLU 15 Ca -0.09 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 1ozi s GLU 15 Cb -0.04 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1ozi s GLU 15 CO 0.03 0.08 -0.11 0.08 0.02 0.00 0.00 175.26 175.36 1ozi s VAL 16 N 1.00 3.18 -1.08 2.63 1.01 0.24 -4.98 120.40 122.40 1ozi s VAL 16 Ca 0.07 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1ozi s VAL 16 Cb -0.13 -2.35 0.25 0.00 0.00 0.00 0.00 36.38 34.15 1ozi s VAL 16 CO 0.04 0.51 1.10 -1.61 0.00 0.00 0.00 175.10 175.14 1ozi s GLU 17 N 0.45 4.08 -0.11 2.72 8.01 -1.26 -0.46 118.70 132.13 1ozi s GLU 17 Ca -0.09 -2.98 -0.25 0.00 0.01 0.00 0.00 54.97 51.66 1ozi s GLU 17 Cb -0.16 -4.61 -0.03 0.00 -4.31 0.00 0.00 34.13 25.03 1ozi s GLU 17 CO 0.04 -1.33 0.78 -1.17 0.01 0.00 0.00 175.26 173.59 1ozi s LEU 18 N -0.57 4.25 -0.44 1.80 1.98 0.56 -4.84 118.68 121.42 1ozi s LEU 18 Ca 0.30 1.20 -0.21 0.00 -2.89 0.00 0.00 54.13 52.54 1ozi s LEU 18 Cb -0.09 -3.18 0.02 0.00 0.66 0.00 0.00 46.19 43.60 1ozi s LEU 18 CO -0.07 -0.27 0.63 0.00 -1.89 0.00 0.00 176.35 174.75 1ozi s ALA 19 N 1.50 3.35 0.52 5.97 0.00 -1.26 0.27 121.76 132.11 1ozi s ALA 19 Ca 0.39 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1ozi s ALA 19 Cb -0.17 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1ozi s ALA 19 CO 0.16 -1.77 0.99 -1.59 0.00 0.00 0.00 175.76 173.55 1ozi s LYS 20 N 2.78 3.89 -0.00 0.00 -2.85 0.23 -4.33 119.74 119.46 1ozi s LYS 20 Ca 0.22 1.01 -0.00 0.00 -1.00 0.00 0.00 55.97 56.20 1ozi s LYS 20 Cb -0.14 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1ozi s LYS 20 CO 0.19 -0.32 0.01 -0.08 0.10 0.00 0.00 175.35 175.25 1ozi s THR 21 N -2.54 -0.00 0.00 3.79 -1.32 -0.11 -4.83 115.64 110.63 1ozi s THR 21 Ca 0.60 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1ozi s THR 21 Cb -0.11 -0.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1ozi s THR 21 CO 0.30 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.18 1ozi n ASP 22 N 3.09 -3.97 0.00 8.08 9.92 -1.26 -2.87 116.55 129.54 1ozi n ASP 22 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1ozi n ASP 22 Cb 0.60 -1.71 0.00 0.00 -0.64 0.00 0.00 41.12 39.37 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ozi n GLY 23 N -1.37 0.92 3.83 0.44 0.00 -1.26 -5.08 105.19 102.67 1ozi n GLY 23 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ozi n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ozi s SER 24 N -1.02 -0.11 0.76 1.61 0.15 -1.14 -5.10 113.70 108.86 1ozi s SER 24 Ca 0.00 -0.89 -0.04 0.00 0.70 0.00 0.00 55.95 55.72 1ozi s SER 24 Cb 0.00 0.78 0.14 0.00 -1.71 0.00 0.00 66.02 65.23 1ozi s SER 24 CO 0.00 -1.51 1.05 -0.76 1.20 0.00 0.00 173.24 173.23 1ozi s LEU 25 N -3.02 2.93 -0.34 3.45 1.02 -1.26 -0.93 118.68 120.52 1ozi s LEU 25 Ca 0.14 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.08 1ozi s LEU 25 Cb -0.05 -2.08 0.39 0.00 0.02 0.00 0.00 46.19 44.46 1ozi s LEU 25 CO 0.09 -2.01 1.75 0.61 0.02 0.00 0.00 176.35 176.81 1ozi n GLY 26 N -3.01 4.01 2.91 -3.19 0.00 -1.26 -4.84 105.19 99.82 1ozi n GLY 26 Ca 0.15 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.51 0.19 -0.28 -0.61 -4.36 -1.26 0.13 121.20 112.50 1ozi s ILE 27 Ca 0.39 -0.10 -0.09 0.00 -0.26 0.00 0.00 60.65 60.59 1ozi s ILE 27 Cb 0.32 -0.17 -0.02 0.00 1.25 0.00 0.00 42.46 43.84 1ozi s ILE 27 CO 0.05 0.05 0.13 -0.44 0.24 0.00 0.00 174.94 174.97 1ozi s SER 28 N -0.05 5.47 0.02 4.36 0.01 0.16 -4.88 113.70 118.79 1ozi s SER 28 Ca 0.01 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1ozi s SER 28 Cb -0.01 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1ozi s SER 28 CO -0.00 -0.10 0.00 0.68 0.41 0.00 0.00 173.24 174.23 1ozi s VAL 29 N 1.64 4.13 0.41 3.43 -7.23 -1.26 0.18 120.40 121.69 1ozi s VAL 29 Ca 0.06 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1ozi s VAL 29 Cb -0.16 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 1ozi s VAL 29 CO 0.06 0.32 0.03 0.28 -0.31 0.00 0.00 175.10 175.48 1ozi s THR 30 N -1.14 1.52 -0.10 5.32 -1.32 0.14 -4.84 115.64 115.22 1ozi s THR 30 Ca 0.21 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.61 1ozi s THR 30 Cb -0.12 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 1ozi s THR 30 CO 0.12 0.00 -0.16 0.55 -2.21 0.00 0.00 174.62 172.93 1ozi n VAL 31 N -0.95 0.92 -3.59 5.08 3.14 -1.26 0.49 118.33 122.16 1ozi n VAL 31 Ca -0.07 0.30 -0.08 0.00 -2.96 0.00 0.00 64.34 61.54 1ozi n VAL 31 Cb 0.67 -2.06 -0.04 0.00 -1.06 0.00 0.00 33.84 31.35 1ozi n VAL 31 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1ozi s LEU 32 N -6.86 -0.26 -0.65 6.55 1.43 -1.26 -3.13 118.68 114.50 1ozi s LEU 32 Ca -0.13 0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1ozi s LEU 32 Cb 0.02 1.62 0.17 0.00 0.03 0.00 0.00 46.19 48.02 1ozi s LEU 32 CO 0.19 -0.26 0.54 -0.36 0.23 0.00 0.00 176.35 176.69 1ozi s PHE 33 N -1.30 3.53 0.10 0.29 0.08 -1.26 -4.90 117.98 114.52 1ozi s PHE 33 Ca 0.02 -2.13 -0.14 0.00 0.12 0.00 0.00 56.93 54.81 1ozi s PHE 33 Cb -0.01 -3.55 -0.10 0.00 -0.57 0.00 0.00 43.02 38.79 1ozi s PHE 33 CO -0.02 -0.95 1.39 0.22 -0.10 0.00 0.00 175.22 175.76 1ozi h ASP 34 N 7.81 0.81 -2.50 1.36 3.58 -1.98 -3.34 116.42 122.16 1ozi h ASP 34 Ca -0.04 -0.52 -0.60 0.00 0.42 0.00 0.00 57.03 56.30 1ozi h ASP 34 Cb 1.03 -0.23 -0.40 0.00 1.72 0.00 0.00 39.33 41.45 1ozi h ASP 34 CO 0.79 1.17 -0.82 0.29 -2.88 0.00 0.00 179.24 177.79 1ozi n LYS 35 N -4.18 1.10 -0.11 0.28 5.02 -1.26 -4.92 118.16 114.09 1ozi n LYS 35 Ca -0.05 -3.79 -0.19 0.00 -2.02 0.00 0.00 58.31 52.26 1ozi n LYS 35 Cb 0.54 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 33.61 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozi n GLY 36 N 2.06 -0.70 0.00 0.72 0.00 -1.26 -5.06 105.19 100.95 1ozi n GLY 36 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 1.41 -2.31 3.68 -0.02 0.00 -1.26 -5.10 105.19 101.60 1ozi n GLY 37 Ca -0.32 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1ozi n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozi s VAL 38 N 0.00 4.80 0.27 1.61 1.01 -1.26 -5.01 120.40 121.82 1ozi s VAL 38 Ca 0.00 1.97 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 1ozi s VAL 38 Cb 0.00 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1ozi s VAL 38 CO 0.00 0.00 1.28 0.54 0.00 0.00 0.00 175.10 176.92 1ozi s ASN 39 N 1.10 6.89 -0.17 3.32 4.22 -1.26 -5.02 114.94 124.03 1ozi s ASN 39 Ca 0.46 2.51 -0.20 0.00 -2.14 0.00 0.00 52.86 53.50 1ozi s ASN 39 Cb -0.18 -2.63 0.05 0.00 1.28 0.00 0.00 41.25 39.77 1ozi s ASN 39 CO 0.16 -0.48 0.53 -0.89 -2.04 0.00 0.00 177.10 174.39 1ozi s THR 40 N -0.61 0.01 -0.42 0.54 2.01 -1.26 -5.13 115.64 110.78 1ozi s THR 40 Ca 0.52 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 1ozi s THR 40 Cb -0.37 -0.77 0.11 0.00 0.01 0.00 0.00 72.50 71.48 1ozi s THR 40 CO 0.45 -0.02 0.19 -0.44 -0.69 0.00 0.00 174.62 174.11 1ozi s SER 41 N -0.02 5.06 -0.12 3.53 0.01 -1.26 -5.05 113.70 115.85 1ozi s SER 41 Ca -0.02 -2.22 -0.14 0.00 1.31 0.00 0.00 55.95 54.87 1ozi s SER 41 Cb -0.04 -1.76 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 1ozi s SER 41 CO 0.02 -0.46 0.34 -0.69 0.41 0.00 0.00 173.24 172.86 1ozi s VAL 42 N 0.85 5.25 -0.19 3.43 1.01 -1.26 -5.05 120.40 124.44 1ozi s VAL 42 Ca 0.11 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1ozi s VAL 42 Cb -0.22 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1ozi s VAL 42 CO -0.05 0.42 1.00 -0.60 0.00 0.00 0.00 175.10 175.88 1ozi s ARG 43 N 0.13 4.30 0.06 2.72 6.06 -1.26 -4.71 118.95 126.25 1ozi s ARG 43 Ca 0.19 1.32 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 1ozi s ARG 43 Cb -0.14 -3.61 0.00 0.00 0.06 0.00 0.00 34.95 31.26 1ozi s ARG 43 CO 0.07 -0.51 0.00 1.58 -2.50 0.00 0.00 175.30 173.94 1ozi n HIS 44 N 5.84 -0.68 -3.80 5.12 -0.00 -1.26 -5.08 115.22 115.37 1ozi n HIS 44 Ca 0.10 0.35 -0.13 0.00 0.46 0.00 0.00 57.72 58.50 1ozi n HIS 44 Cb 0.47 -1.71 -0.14 0.00 -0.12 0.00 0.00 29.99 28.49 1ozi n HIS 44 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1ozi s GLY 45 N -1.40 -0.01 0.00 1.57 0.00 -1.26 -5.05 107.32 101.17 1ozi s GLY 45 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.09 1ozi s GLY 45 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1ozi n GLY 46 N 3.65 0.61 3.09 0.20 0.00 -1.26 -4.85 105.19 106.62 1ozi n GLY 46 Ca -0.20 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 0.13 0.95 0.03 -0.61 -1.09 -0.72 -4.52 121.20 115.36 1ozi s ILE 47 Ca 0.00 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1ozi s ILE 47 Cb 0.00 -0.83 -0.02 0.00 -1.58 0.00 0.00 42.46 40.03 1ozi s ILE 47 CO 0.00 0.13 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.35 1ozi s TYR 48 N -0.52 1.63 -0.51 3.97 1.51 0.18 0.78 117.35 124.39 1ozi s TYR 48 Ca 0.03 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 1ozi s TYR 48 Cb -0.06 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1ozi s TYR 48 CO 0.00 0.05 1.22 0.08 -1.11 0.00 0.00 175.55 175.79 1ozi s VAL 49 N -0.71 4.07 0.04 0.71 1.01 0.41 0.26 120.40 126.19 1ozi s VAL 49 Ca 0.06 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1ozi s VAL 49 Cb -0.08 -4.57 -0.31 0.00 0.00 0.00 0.00 36.38 31.42 1ozi s VAL 49 CO 0.01 -1.09 1.03 0.50 0.00 0.00 0.00 175.10 175.56 1ozi h LYS 50 N 9.71 0.39 -2.90 2.72 3.64 -0.59 0.68 116.57 130.22 1ozi h LYS 50 Ca -0.25 -0.66 -0.08 0.00 -1.27 0.00 0.00 60.65 58.39 1ozi h LYS 50 Cb 1.07 0.25 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 1ozi h LYS 50 CO 1.14 1.31 -0.11 0.00 -2.27 0.00 0.00 179.45 179.52 1ozi s ALA 51 N -2.63 -1.05 -0.34 5.00 0.00 -0.92 -4.62 121.76 117.20 1ozi s ALA 51 Ca -0.07 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1ozi s ALA 51 Cb 0.06 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1ozi s ALA 51 CO 0.91 -0.40 0.20 0.42 0.00 0.00 0.00 175.76 176.88 1ozi s ILE 52 N -2.04 4.78 0.29 0.00 -1.09 -1.26 -0.66 121.20 121.21 1ozi s ILE 52 Ca -0.08 -0.52 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1ozi s ILE 52 Cb -0.02 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1ozi s ILE 52 CO 0.01 -0.06 0.55 -0.63 -1.23 0.00 0.00 174.94 173.58 1ozi s ILE 53 N 1.62 5.02 0.00 2.92 -1.09 0.12 -4.96 121.20 124.84 1ozi s ILE 53 Ca 0.04 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1ozi s ILE 53 Cb -0.18 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1ozi s ILE 53 CO 0.07 -0.31 0.00 -2.65 -1.23 0.00 0.00 174.94 170.82 1ozi n PRO 54 N -0.90 2.06 0.00 2.79 -0.02 -1.26 -4.42 135.00 133.25 1ozi n PRO 54 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1ozi n PRO 54 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.00 0.00 0.00 -0.52 4.01 -1.26 -4.47 118.16 115.92 1ozi n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ozi n LYS 55 Cb 0.00 -0.09 0.00 0.00 -0.51 0.00 0.00 35.03 34.43 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 0.00 0.50 6.93 0.72 0.00 -1.26 -4.98 105.19 107.09 1ozi n GLY 56 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.00 0.00 0.04 4.61 0.00 -1.26 -3.42 120.51 119.48 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 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.44 0.61 -0.06 0.00 0.00 -1.86 0.93 119.26 118.44 1ozi h ALA 58 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 54.91 54.07 1ozi h ALA 58 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ozi h ALA 58 CO 0.00 0.75 -0.94 1.49 0.00 0.00 0.00 179.25 180.55 1ozi h GLU 59 N 0.30 0.74 -0.30 0.00 4.22 -1.75 0.29 114.58 118.09 1ozi h GLU 59 Ca -0.03 -0.72 -0.08 0.00 0.08 0.00 0.00 59.36 58.62 1ozi h GLU 59 Cb 1.27 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1ozi h GLU 59 CO 0.12 1.30 -0.11 1.03 -2.18 0.00 0.00 179.01 179.17 1ozi h SER 60 N 0.45 0.62 -0.43 1.04 0.87 -1.62 -1.97 113.55 112.51 1ozi h SER 60 Ca -0.10 -0.39 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 1ozi h SER 60 Cb 1.59 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1ozi h SER 60 CO 0.19 0.87 -0.27 -0.78 -0.53 0.00 0.00 176.83 176.31 1ozi h ASP 61 N 0.37 1.00 0.00 6.23 1.82 -0.87 -3.48 116.42 121.49 1ozi h ASP 61 Ca 0.07 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1ozi h ASP 61 Cb 0.62 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1ozi h ASP 61 CO 0.04 1.20 0.00 0.61 -1.61 0.00 0.00 179.24 179.47 1ozi n GLY 62 N -0.05 0.47 0.07 -0.78 0.00 1.00 -4.95 105.19 100.95 1ozi n GLY 62 Ca -0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.58 0.42 -3.44 1.61 1.74 -0.97 -4.93 116.66 109.51 1ozi n ARG 63 Ca 0.00 0.08 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 1ozi n ARG 63 Cb 0.32 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.29 5.24 0.39 0.55 1.01 -1.23 -5.06 121.20 119.81 1ozi s ILE 64 Ca -0.19 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.16 1ozi s ILE 64 Cb 0.05 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ozi s ILE 64 CO 0.34 0.31 0.16 -1.00 0.00 0.00 0.00 174.94 174.75 1ozi s HIS 65 N 0.96 1.77 0.10 3.97 3.76 -1.26 -4.34 115.29 120.25 1ozi s HIS 65 Ca 0.18 -1.38 -0.31 0.00 -0.15 0.00 0.00 55.06 53.41 1ozi s HIS 65 Cb -0.14 -1.05 -0.08 0.00 1.11 0.00 0.00 32.58 32.42 1ozi s HIS 65 CO 0.07 -0.43 1.48 0.15 -0.85 0.00 0.00 174.74 175.15 1ozi s LYS 66 N -3.65 4.27 0.00 1.40 1.02 -1.26 -2.47 119.74 119.04 1ozi s LYS 66 Ca 0.27 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.43 1ozi s LYS 66 Cb 0.02 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1ozi s LYS 66 CO 0.17 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1ozi n GLY 67 N 3.67 0.34 3.77 -3.33 0.00 0.23 -2.58 105.19 107.29 1ozi n GLY 67 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.49 6.13 -0.17 1.61 1.01 -1.03 -1.56 116.67 120.17 1ozi s ASP 68 Ca 0.00 2.36 -0.13 0.00 0.71 0.00 0.00 52.55 55.48 1ozi s ASP 68 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1ozi s ASP 68 CO 0.00 -0.95 0.28 -0.60 0.21 0.00 0.00 175.17 174.11 1ozi s ARG 69 N -2.67 4.23 -0.29 8.23 3.52 -0.43 -0.44 118.95 131.10 1ozi s ARG 69 Ca 0.63 0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 56.18 1ozi s ARG 69 Cb -0.30 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1ozi s ARG 69 CO 0.36 0.20 0.17 0.08 -0.81 0.00 0.00 175.30 175.31 1ozi s VAL 70 N 0.59 5.02 -0.11 7.11 1.01 0.23 0.03 120.40 134.27 1ozi s VAL 70 Ca 0.15 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.18 1ozi s VAL 70 Cb -0.13 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1ozi s VAL 70 CO 0.04 0.18 0.39 0.18 0.00 0.00 0.00 175.10 175.89 1ozi n LEU 71 N 5.03 0.97 -3.72 3.92 4.77 0.73 -1.76 117.00 126.94 1ozi n LEU 71 Ca -0.14 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1ozi n LEU 71 Cb 0.51 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1ozi n LEU 71 CO 0.34 0.51 0.63 0.00 -1.33 0.00 0.00 177.39 177.54 1ozi s ALA 72 N -2.56 -1.56 -0.27 -1.18 0.00 -0.83 -0.25 121.76 115.11 1ozi s ALA 72 Ca -0.10 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ozi s ALA 72 Cb 0.07 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.93 1ozi s ALA 72 CO 0.80 -0.97 -0.07 0.08 0.00 0.00 0.00 175.76 175.60 1ozi s VAL 73 N -3.46 2.47 -1.47 0.00 1.01 -0.11 0.19 120.40 119.03 1ozi s VAL 73 Ca 0.10 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.50 1ozi s VAL 73 Cb -0.02 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1ozi s VAL 73 CO 0.01 -0.03 0.88 -3.20 0.00 0.00 0.00 175.10 172.75 1ozi n ASN 74 N 4.51 -6.15 0.00 3.32 2.85 0.17 -0.51 115.26 119.44 1ozi n ASN 74 Ca -0.14 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 53.91 1ozi n ASN 74 Cb 0.43 -4.91 0.00 0.00 1.24 0.00 0.00 39.78 36.54 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 -1.74 1.68 3.51 8.20 0.00 -1.26 -5.00 105.19 110.57 1ozi n GLY 75 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.00 4.75 0.26 1.61 1.01 0.33 -5.01 120.40 120.35 1ozi s VAL 76 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1ozi s VAL 76 Cb 0.00 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1ozi s VAL 76 CO 0.00 -0.72 1.44 -0.94 0.00 0.00 0.00 175.10 174.88 1ozi s SER 77 N 2.25 6.63 -0.30 3.32 1.04 -1.26 -0.93 113.70 124.45 1ozi s SER 77 Ca 0.23 2.70 0.10 0.00 0.48 0.00 0.00 55.95 59.47 1ozi s SER 77 Cb -0.15 -2.63 0.61 0.00 0.10 0.00 0.00 66.02 63.96 1ozi s SER 77 CO 0.18 -0.71 1.63 0.18 0.98 0.00 0.00 173.24 175.50 1ozi n LEU 78 N 2.11 5.06 -0.11 2.42 4.77 0.65 -4.69 117.00 127.22 1ozi n LEU 78 Ca 0.06 -3.40 0.19 0.00 -0.03 0.00 0.00 56.01 52.83 1ozi n LEU 78 Cb 0.40 -0.68 0.61 0.00 -2.33 0.00 0.00 43.42 41.42 1ozi n LEU 78 CO 0.61 0.95 1.21 1.05 -1.33 0.00 0.00 177.39 179.87 1ozi h GLU 79 N 1.72 0.19 -0.58 3.23 4.11 -1.90 -2.00 114.58 119.34 1ozi h GLU 79 Ca 0.24 -0.01 -0.35 0.00 0.07 0.00 0.00 59.36 59.32 1ozi h GLU 79 Cb 2.00 -0.04 -0.41 0.00 0.50 0.00 0.00 28.75 30.79 1ozi h GLU 79 CO 0.56 0.12 -1.03 0.41 0.07 0.00 0.00 179.01 179.15 1ozi n GLY 80 N -1.60 3.23 3.94 1.06 0.00 -1.26 -4.65 105.19 105.92 1ozi n GLY 80 Ca 0.13 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.71 3.88 0.39 4.61 0.00 -0.75 -5.11 121.76 121.07 1ozi s ALA 81 Ca 0.35 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1ozi s ALA 81 Cb 0.36 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1ozi s ALA 81 CO -0.02 0.42 0.62 -0.08 0.00 0.00 0.00 175.76 176.70 1ozi s THR 82 N -1.86 4.88 0.26 0.00 -1.32 -1.26 -4.89 115.64 111.44 1ozi s THR 82 Ca 0.37 -0.33 -0.02 0.00 -1.21 0.00 0.00 61.69 60.49 1ozi s THR 82 Cb -0.11 -3.80 0.24 0.00 -1.51 0.00 0.00 72.50 67.32 1ozi s THR 82 CO 0.29 -0.58 1.74 1.12 -2.21 0.00 0.00 174.62 174.98 1ozi h HIS 83 N 0.58 0.63 -0.79 9.09 2.07 -1.90 -0.35 115.15 124.47 1ozi h HIS 83 Ca -0.49 0.04 0.01 0.00 -2.85 0.00 0.00 60.37 57.08 1ozi h HIS 83 Cb 1.22 -0.16 -0.04 0.00 2.57 0.00 0.00 27.41 31.01 1ozi h HIS 83 CO 0.51 0.09 0.53 0.87 -3.07 0.00 0.00 177.93 176.87 1ozi h LYS 84 N 0.51 1.02 -0.16 5.12 1.57 -1.94 -1.56 116.57 121.12 1ozi h LYS 84 Ca 0.45 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 59.01 1ozi h LYS 84 Cb 0.69 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1ozi h LYS 84 CO -0.40 0.68 -0.58 1.96 -0.57 0.00 0.00 179.45 180.53 1ozi h GLN 85 N 1.05 0.53 -0.45 3.15 1.08 -1.47 -0.34 115.11 118.67 1ozi h GLN 85 Ca 0.30 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1ozi h GLN 85 Cb -0.09 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1ozi h GLN 85 CO -0.07 0.96 0.28 0.00 -0.95 0.00 0.00 178.83 179.06 1ozi h ALA 86 N 0.96 0.57 -0.59 3.87 0.00 -0.89 -1.57 119.26 121.61 1ozi h ALA 86 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ozi h ALA 86 Cb 1.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ozi h ALA 86 CO 0.11 -0.01 -0.02 0.28 0.00 0.00 0.00 179.25 179.61 1ozi h VAL 87 N 0.57 1.26 -0.77 0.00 2.07 -0.99 -1.57 116.25 116.83 1ozi h VAL 87 Ca 0.17 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1ozi h VAL 87 Cb -0.03 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1ozi h VAL 87 CO -0.06 0.42 0.35 -0.33 0.02 0.00 0.00 177.57 177.97 1ozi h GLU 88 N 0.94 1.12 -0.31 1.57 4.39 -0.66 0.25 114.58 121.88 1ozi h GLU 88 Ca 0.17 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1ozi h GLU 88 Cb 0.57 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1ozi h GLU 88 CO 0.03 0.88 -0.42 1.15 -1.16 0.00 0.00 179.01 179.49 1ozi h THR 89 N 1.11 1.29 -0.00 1.13 2.02 -1.06 0.12 112.91 117.51 1ozi h THR 89 Ca 0.26 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.85 1ozi h THR 89 Cb 0.14 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1ozi h THR 89 CO -0.03 0.52 -0.05 -0.11 0.37 0.00 0.00 175.52 176.22 1ozi n LEU 90 N -4.03 0.35 -0.01 2.58 7.94 -0.61 -1.73 117.00 121.49 1ozi n LEU 90 Ca -0.02 0.01 0.06 0.00 -1.11 0.00 0.00 56.01 54.95 1ozi n LEU 90 Cb 0.55 -0.13 -0.12 0.00 0.53 0.00 0.00 43.42 44.24 1ozi n LEU 90 CO 0.47 0.06 -0.72 -1.14 -1.11 0.00 0.00 177.39 174.95 1ozi n ARG 91 N -0.91 0.60 0.11 1.96 0.00 0.81 -4.44 116.66 114.78 1ozi n ARG 91 Ca 0.18 -0.13 0.02 0.00 -0.00 0.00 0.00 57.85 57.91 1ozi n ARG 91 Cb 0.23 -1.38 -0.01 0.00 0.00 0.00 0.00 32.46 31.30 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ozi h ASN 92 N 0.00 0.00 -2.86 6.15 -1.24 0.05 -3.45 115.58 114.23 1ozi h ASN 92 Ca -0.04 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.66 1ozi h ASN 92 Cb 0.86 0.00 0.16 0.00 0.73 0.00 0.00 38.32 40.07 1ozi h ASN 92 CO 0.00 0.52 0.03 0.35 -1.29 0.00 0.00 177.43 177.04 1ozi n THR 93 N -3.13 0.00 -0.24 -3.57 -2.24 -0.70 -5.07 114.28 99.33 1ozi n THR 93 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1ozi n THR 93 Cb 0.76 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.65 -1.04 0.17 3.38 0.00 -1.26 -4.95 105.19 97.83 1ozi n GLY 94 Ca 0.12 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 0.37 -5.58 1.61 4.15 -1.94 -3.37 115.11 110.35 1ozi h GLN 95 Ca 0.00 -0.30 -0.64 0.00 0.77 0.00 0.00 58.65 58.48 1ozi h GLN 95 Cb 0.00 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 27.61 1ozi h GLN 95 CO 0.00 0.94 0.23 0.08 -1.93 0.00 0.00 178.83 178.15 1ozi s VAL 96 N -3.61 4.76 -0.31 2.39 1.01 -1.26 -0.60 120.40 122.78 1ozi s VAL 96 Ca -0.05 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1ozi s VAL 96 Cb 0.11 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1ozi s VAL 96 CO 0.83 -0.60 0.26 0.68 0.00 0.00 0.00 175.10 176.27 1ozi s VAL 97 N 3.00 5.26 -0.20 2.92 -7.23 0.14 -4.88 120.40 119.41 1ozi s VAL 97 Ca 0.26 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.23 1ozi s VAL 97 Cb -0.13 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 1ozi s VAL 97 CO 0.20 0.09 0.83 -2.28 -0.31 0.00 0.00 175.10 173.63 1ozi s HIS 98 N 1.82 3.37 0.05 2.82 2.46 -1.26 -0.32 115.29 124.23 1ozi s HIS 98 Ca 0.08 1.21 0.06 0.00 0.47 0.00 0.00 55.06 56.88 1ozi s HIS 98 Cb -0.17 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.23 1ozi s HIS 98 CO 0.11 -0.31 -0.18 -1.17 -2.47 0.00 0.00 174.74 170.72 1ozi s LEU 99 N 2.47 2.19 -0.31 8.88 2.96 0.40 0.44 118.68 135.71 1ozi s LEU 99 Ca 0.37 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1ozi s LEU 99 Cb -0.16 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1ozi s LEU 99 CO 0.10 0.08 0.18 -0.22 -1.32 0.00 0.00 176.35 175.17 1ozi s LEU 100 N -1.28 4.14 0.32 -0.68 2.96 0.13 -0.59 118.68 123.67 1ozi s LEU 100 Ca 0.04 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1ozi s LEU 100 Cb -0.09 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 1ozi s LEU 100 CO 0.02 -0.15 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.08 1ozi s LEU 101 N 1.68 2.58 0.02 -0.68 1.02 -0.01 -0.20 118.68 123.09 1ozi s LEU 101 Ca 0.06 -1.22 0.03 0.00 0.02 0.00 0.00 54.13 53.02 1ozi s LEU 101 Cb -0.17 -0.76 -0.01 0.00 0.02 0.00 0.00 46.19 45.26 1ozi s LEU 101 CO 0.08 -0.32 -0.10 -0.70 0.02 0.00 0.00 176.35 175.33 1ozi s GLU 102 N -3.70 0.72 0.08 1.70 2.12 0.10 0.00 118.70 119.74 1ozi s GLU 102 Ca 0.31 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.80 1ozi s GLU 102 Cb 0.04 -0.67 -0.09 0.00 0.26 0.00 0.00 34.13 33.67 1ozi s GLU 102 CO 0.14 0.17 1.66 0.15 -0.54 0.00 0.00 175.26 176.84 1ozi s LYS 103 N -0.79 4.19 0.00 4.30 -0.14 -0.03 -1.32 119.74 125.95 1ozi s LYS 103 Ca 0.00 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1ozi s LYS 103 Cb -0.06 -3.55 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1ozi s LYS 103 CO 0.00 -0.73 0.00 0.41 -0.76 0.00 0.00 175.35 174.27 1ozi n GLY 104 N 3.99 0.63 0.12 -3.33 0.00 -1.25 -0.60 105.19 104.76 1ozi n GLY 104 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.14 -6.16 1.61 1.08 -1.53 -3.41 115.11 106.84 1ozi h GLN 105 Ca 0.00 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 56.89 1ozi h GLN 105 Cb 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1ozi h GLN 105 CO 0.00 1.11 -1.02 1.33 -0.95 0.00 0.00 178.83 179.31 1ozi n VAL 106 N -4.10 -4.33 1.73 -0.54 0.24 -1.07 -5.03 118.33 105.25 1ozi n VAL 106 Ca -0.27 0.66 0.14 0.00 -2.04 0.00 0.00 64.34 62.83 1ozi n VAL 106 Cb 0.81 -3.91 0.82 0.00 -1.47 0.00 0.00 33.84 30.10 1ozi n VAL 106 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04