#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 4.19 0.00 1.97 0.02 -1.26 -1.33 135.00 138.60 1ozi s PRO 10 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1ozi s PRO 10 Cb 0.00 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1ozi s PRO 10 CO 0.00 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 1ozi n GLY 11 N 3.72 0.50 3.86 0.52 0.00 0.21 -4.92 105.19 109.07 1ozi n GLY 11 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.07 6.71 0.17 1.61 2.15 -0.44 -4.67 116.67 120.13 1ozi s ASP 12 Ca 0.00 0.97 -0.29 0.00 0.43 0.00 0.00 52.55 53.66 1ozi s ASP 12 Cb 0.00 -2.25 -0.07 0.00 -0.30 0.00 0.00 42.92 40.30 1ozi s ASP 12 CO 0.00 0.03 0.92 0.42 -0.17 0.00 0.00 175.17 176.37 1ozi s THR 13 N -1.62 4.31 0.00 1.71 -4.23 -1.26 0.07 115.64 114.62 1ozi s THR 13 Ca 0.42 2.02 0.00 0.00 -1.18 0.00 0.00 61.69 62.95 1ozi s THR 13 Cb -0.13 -4.30 -0.00 0.00 1.34 0.00 0.00 72.50 69.41 1ozi s THR 13 CO 0.20 0.42 -0.01 0.72 -0.54 0.00 0.00 174.62 175.41 1ozi s PHE 14 N -0.64 0.09 -0.31 3.99 -0.71 0.80 -4.91 117.98 116.29 1ozi s PHE 14 Ca 0.43 -0.05 -0.08 0.00 -1.04 0.00 0.00 56.93 56.18 1ozi s PHE 14 Cb -0.24 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.52 1ozi s PHE 14 CO 0.30 -0.01 0.12 -1.21 -1.34 0.00 0.00 175.22 173.08 1ozi s GLU 15 N -0.12 3.12 -0.12 1.99 2.02 -1.26 -0.82 118.70 123.51 1ozi s GLU 15 Ca -0.01 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1ozi s GLU 15 Cb -0.01 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1ozi s GLU 15 CO -0.00 -0.48 -0.12 0.54 0.02 0.00 0.00 175.26 175.22 1ozi s VAL 16 N 1.54 3.16 -0.45 2.63 0.11 -0.36 -4.98 120.40 122.06 1ozi s VAL 16 Ca 0.03 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.39 1ozi s VAL 16 Cb -0.18 -2.32 0.12 0.00 -1.53 0.00 0.00 36.38 32.47 1ozi s VAL 16 CO 0.04 0.53 0.27 -0.70 -3.33 0.00 0.00 175.10 171.92 1ozi s GLU 17 N 0.16 2.22 -0.21 1.54 2.12 -1.26 0.57 118.70 123.84 1ozi s GLU 17 Ca -0.06 -1.83 -0.17 0.00 0.36 0.00 0.00 54.97 53.27 1ozi s GLU 17 Cb -0.15 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1ozi s GLU 17 CO 0.05 -1.13 0.43 -1.17 -0.54 0.00 0.00 175.26 172.90 1ozi s LEU 18 N 1.17 4.13 -0.33 2.70 1.98 0.21 -4.85 118.68 123.70 1ozi s LEU 18 Ca 0.08 0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 51.71 1ozi s LEU 18 Cb -0.24 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.03 1ozi s LEU 18 CO -0.03 -0.13 0.30 0.00 -1.89 0.00 0.00 176.35 174.61 1ozi s ALA 19 N 1.53 3.51 0.35 5.97 0.00 -1.26 0.13 121.76 131.99 1ozi s ALA 19 Ca 0.20 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1ozi s ALA 19 Cb -0.15 -2.73 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1ozi s ALA 19 CO 0.09 -0.96 0.95 -1.59 0.00 0.00 0.00 175.76 174.25 1ozi s LYS 20 N 1.89 4.48 -0.15 0.00 -2.85 0.97 -4.72 119.74 119.36 1ozi s LYS 20 Ca 0.10 1.28 -0.14 0.00 -1.00 0.00 0.00 55.97 56.21 1ozi s LYS 20 Cb -0.17 -2.63 -0.11 0.00 -2.06 0.00 0.00 37.83 32.86 1ozi s LYS 20 CO 0.11 0.18 0.19 0.00 0.10 0.00 0.00 175.35 175.93 1ozi h THR 21 N 2.41 0.64 -0.58 3.79 1.03 -1.78 -3.46 112.91 114.97 1ozi h THR 21 Ca -0.47 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.33 1ozi h THR 21 Cb 1.19 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1ozi h THR 21 CO 0.64 0.22 0.00 -0.90 -0.01 0.00 0.00 175.52 175.47 1ozi n ASP 22 N -4.62 0.00 -0.73 0.00 5.75 -1.26 -4.94 116.55 110.75 1ozi n ASP 22 Ca -0.12 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.67 1ozi n ASP 22 Cb 0.34 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.50 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ozi n GLY 23 N 5.00 1.75 3.17 6.12 0.00 -1.26 -4.71 105.19 115.26 1ozi n GLY 23 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1ozi n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ozi s SER 24 N -0.12 2.72 0.00 1.61 0.01 -1.26 -4.98 113.70 111.68 1ozi s SER 24 Ca 0.09 -0.48 0.30 0.00 1.31 0.00 0.00 55.95 57.16 1ozi s SER 24 Cb 0.07 -1.21 1.46 0.00 0.21 0.00 0.00 66.02 66.54 1ozi s SER 24 CO 0.03 0.13 2.01 -0.11 0.41 0.00 0.00 173.24 175.70 1ozi n LEU 25 N 3.56 0.12 0.00 2.44 7.94 -1.26 -3.47 117.00 126.33 1ozi n LEU 25 Ca -0.20 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ozi n LEU 25 Cb 0.53 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1ozi n LEU 25 CO 0.27 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1ozi n GLY 26 N 1.27 0.75 3.11 -3.96 0.00 -1.26 -2.14 105.19 102.97 1ozi n GLY 26 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.28 0.88 -0.19 -0.61 -4.36 -1.26 -0.83 121.20 112.54 1ozi s ILE 27 Ca 0.00 -1.08 -0.01 0.00 -0.26 0.00 0.00 60.65 59.30 1ozi s ILE 27 Cb 0.00 -0.86 0.01 0.00 1.25 0.00 0.00 42.46 42.86 1ozi s ILE 27 CO 0.00 -0.19 -0.14 -0.55 0.24 0.00 0.00 174.94 174.30 1ozi s SER 28 N -1.42 3.59 0.42 4.36 0.15 0.15 -4.65 113.70 116.31 1ozi s SER 28 Ca -0.03 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.15 1ozi s SER 28 Cb -0.09 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1ozi s SER 28 CO 0.01 -0.00 0.24 0.68 1.20 0.00 0.00 173.24 175.37 1ozi s VAL 29 N 1.32 2.37 0.22 4.45 -7.23 -1.26 0.17 120.40 120.44 1ozi s VAL 29 Ca 0.04 -1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1ozi s VAL 29 Cb -0.14 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 1ozi s VAL 29 CO -0.08 0.00 0.29 0.28 -0.31 0.00 0.00 175.10 175.27 1ozi s THR 30 N -2.57 0.00 -0.02 5.32 -1.32 0.94 -4.65 115.64 113.34 1ozi s THR 30 Ca 0.42 -1.72 -0.06 0.00 -1.21 0.00 0.00 61.69 59.13 1ozi s THR 30 Cb 0.02 -2.33 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1ozi s THR 30 CO 0.24 -0.02 0.47 -0.37 -2.21 0.00 0.00 174.62 172.73 1ozi h VAL 31 N 2.46 0.00 -1.39 5.08 -1.51 -1.81 0.42 116.25 119.51 1ozi h VAL 31 Ca -0.31 -0.27 0.13 0.00 -1.23 0.00 0.00 66.70 65.01 1ozi h VAL 31 Cb 1.25 0.00 -0.26 0.00 -2.13 0.00 0.00 31.29 30.15 1ozi h VAL 31 CO 0.45 0.00 0.66 -0.22 -1.23 0.00 0.00 177.57 177.24 1ozi s LEU 32 N -6.21 -0.27 0.00 4.19 2.96 -1.26 -2.28 118.68 115.82 1ozi s LEU 32 Ca -0.03 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1ozi s LEU 32 Cb 0.00 1.59 0.00 0.00 0.50 0.00 0.00 46.19 48.28 1ozi s LEU 32 CO 0.10 -0.19 0.00 0.33 -1.32 0.00 0.00 176.35 175.27 1ozi n PHE 33 N 1.13 -0.73 -2.94 5.38 -0.00 -1.26 -5.10 117.46 113.93 1ozi n PHE 33 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.01 1ozi n PHE 33 Cb 0.58 0.17 -0.06 0.00 -0.00 0.00 0.00 39.48 40.17 1ozi n PHE 33 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1ozi s ASP 34 N 0.68 7.12 0.00 -2.13 -4.77 -1.26 -4.97 116.67 111.34 1ozi s ASP 34 Ca 0.00 1.60 0.06 0.00 -3.30 0.00 0.00 52.55 50.92 1ozi s ASP 34 Cb 0.00 -2.49 0.04 0.00 -1.09 0.00 0.00 42.92 39.38 1ozi s ASP 34 CO 0.00 -0.09 0.66 0.29 0.70 0.00 0.00 175.17 176.73 1ozi n LYS 35 N 0.34 0.45 0.00 2.11 5.02 -1.26 -4.88 118.16 119.94 1ozi n LYS 35 Ca 0.01 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1ozi n LYS 35 Cb 0.51 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.45 1.64 0.78 0.72 0.00 -1.26 -2.87 105.19 104.64 1ozi n GLY 36 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 1.53 3.65 -0.02 0.00 -1.26 -5.07 105.19 104.01 1ozi n GLY 37 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.58 4.03 0.21 1.61 1.01 -1.14 -5.01 120.40 120.53 1ozi s VAL 38 Ca 0.18 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1ozi s VAL 38 Cb 0.19 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 1ozi s VAL 38 CO -0.06 0.49 1.51 -0.55 0.00 0.00 0.00 175.10 176.49 1ozi h ASN 39 N 4.79 0.29 -3.88 3.32 -1.07 -1.98 -3.40 115.58 113.66 1ozi h ASN 39 Ca -0.49 -0.18 -0.66 0.00 0.07 0.00 0.00 56.30 55.03 1ozi h ASN 39 Cb 1.18 -0.09 -0.39 0.00 -2.07 0.00 0.00 38.32 36.95 1ozi h ASN 39 CO 0.55 0.88 -0.63 0.28 0.07 0.00 0.00 177.43 178.58 1ozi s THR 40 N -3.63 2.69 -0.52 6.14 -1.32 -1.26 -4.97 115.64 112.76 1ozi s THR 40 Ca -0.04 -2.61 0.04 0.00 -1.21 0.00 0.00 61.69 57.87 1ozi s THR 40 Cb 0.11 -2.89 0.16 0.00 -1.51 0.00 0.00 72.50 68.37 1ozi s THR 40 CO 0.81 -0.70 0.38 -0.44 -2.21 0.00 0.00 174.62 172.46 1ozi s SER 41 N 0.73 3.05 -0.30 8.08 0.01 -1.26 -5.01 113.70 119.01 1ozi s SER 41 Ca 0.13 -3.28 -0.01 0.00 1.31 0.00 0.00 55.95 54.10 1ozi s SER 41 Cb -0.22 -0.97 0.19 0.00 0.21 0.00 0.00 66.02 65.24 1ozi s SER 41 CO -0.05 -0.16 0.63 0.54 0.41 0.00 0.00 173.24 174.61 1ozi s VAL 42 N -0.44 -0.96 -0.29 3.43 0.11 -1.26 -4.92 120.40 116.07 1ozi s VAL 42 Ca 0.27 0.00 0.13 0.00 -2.93 0.00 0.00 61.98 59.45 1ozi s VAL 42 Cb -0.04 -0.99 0.47 0.00 -1.53 0.00 0.00 36.38 34.29 1ozi s VAL 42 CO -0.15 0.00 1.15 0.54 -3.33 0.00 0.00 175.10 173.31 1ozi n ARG 43 N 5.43 2.89 -1.67 1.54 1.74 -1.26 -4.95 116.66 120.37 1ozi n ARG 43 Ca -0.00 -3.93 -0.01 0.00 -0.77 0.00 0.00 57.85 53.13 1ozi n ARG 43 Cb 0.52 -2.02 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 1ozi n ARG 43 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1ozi n HIS 44 N -0.64 -1.03 -2.07 -1.55 -0.00 -1.26 -4.91 115.22 103.76 1ozi n HIS 44 Ca 0.30 0.60 -0.42 0.00 -0.00 0.00 0.00 57.72 58.20 1ozi n HIS 44 Cb 0.89 -2.11 0.00 0.00 -0.00 0.00 0.00 29.99 28.77 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ozi n GLY 45 N 0.39 3.88 0.00 1.57 0.00 -1.26 -4.66 105.19 105.11 1ozi n GLY 45 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 4.37 -0.12 3.03 -0.02 0.00 -1.26 -4.54 105.19 106.65 1ozi n GLY 46 Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.79 -0.02 -0.02 -0.61 -1.09 -1.22 -4.45 121.20 113.00 1ozi s ILE 47 Ca 0.00 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.57 1ozi s ILE 47 Cb 0.00 -0.30 -0.01 0.00 -1.58 0.00 0.00 42.46 40.57 1ozi s ILE 47 CO 0.00 0.04 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.25 1ozi s TYR 48 N 0.72 1.70 -0.22 3.97 1.51 0.15 0.61 117.35 125.79 1ozi s TYR 48 Ca -0.05 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1ozi s TYR 48 Cb -0.07 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1ozi s TYR 48 CO -0.04 -0.03 1.30 0.08 -1.11 0.00 0.00 175.55 175.74 1ozi s VAL 49 N -0.43 4.19 -0.10 0.71 1.01 0.38 -0.04 120.40 126.12 1ozi s VAL 49 Ca 0.07 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.56 1ozi s VAL 49 Cb -0.07 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 1ozi s VAL 49 CO -0.01 -0.28 0.44 1.17 0.00 0.00 0.00 175.10 176.43 1ozi n LYS 50 N 6.95 0.66 -3.59 2.72 4.81 0.13 -0.08 118.16 129.75 1ozi n LYS 50 Ca 0.14 0.21 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 1ozi n LYS 50 Cb 0.46 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 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 -1.29 -0.24 3.14 0.00 -0.15 -4.73 121.76 115.93 1ozi s ALA 51 Ca -0.09 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1ozi s ALA 51 Cb 0.07 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1ozi s ALA 51 CO 0.81 -0.80 0.04 0.42 0.00 0.00 0.00 175.76 176.23 1ozi s ILE 52 N -3.81 4.09 -0.10 0.00 -1.09 -1.26 0.34 121.20 119.35 1ozi s ILE 52 Ca 0.05 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 1ozi s ILE 52 Cb -0.01 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 1ozi s ILE 52 CO -0.07 0.36 1.12 -0.63 -1.23 0.00 0.00 174.94 174.49 1ozi s ILE 53 N 1.57 4.49 -1.15 2.92 -1.09 -0.01 -4.87 121.20 123.06 1ozi s ILE 53 Ca 0.06 1.79 -0.19 0.00 -2.23 0.00 0.00 60.65 60.08 1ozi s ILE 53 Cb -0.15 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1ozi s ILE 53 CO 0.02 -0.03 1.97 -2.65 -1.23 0.00 0.00 174.94 173.01 1ozi n PRO 54 N 5.41 2.24 0.00 2.79 -0.02 -1.26 -4.51 135.00 139.65 1ozi n PRO 54 Ca 0.11 -2.48 0.00 0.00 -2.02 0.00 0.00 63.50 59.10 1ozi n PRO 54 Cb 0.47 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 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 7.34 0.00 0.00 -0.52 4.01 -1.26 -5.08 118.16 122.65 1ozi n LYS 55 Ca 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 1ozi n LYS 55 Cb 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.95 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 3.95 0.00 0.00 0.72 0.00 -1.26 -4.98 105.19 103.63 1ozi n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.36 -0.12 4.61 0.00 -1.26 -4.50 120.51 119.60 1ozi n ALA 57 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ozi n ALA 57 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 1.00 1.48 -0.08 0.00 0.00 -1.65 0.34 119.26 120.36 1ozi h ALA 58 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1ozi h ALA 58 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ozi h ALA 58 CO 0.00 0.44 -0.20 1.49 0.00 0.00 0.00 179.25 180.98 1ozi h GLU 59 N 0.80 0.27 0.07 0.00 4.81 -1.78 -0.60 114.58 118.16 1ozi h GLU 59 Ca 0.21 -0.19 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 1ozi h GLU 59 Cb 0.01 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1ozi h GLU 59 CO -0.03 0.80 -1.11 0.77 -0.73 0.00 0.00 179.01 178.71 1ozi h SER 60 N -0.22 0.52 1.46 1.04 0.02 -1.75 -2.78 113.55 111.85 1ozi h SER 60 Ca -0.00 -0.48 -0.07 0.00 -0.84 0.00 0.00 61.79 60.39 1ozi h SER 60 Cb 0.81 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1ozi h SER 60 CO 0.04 1.32 -0.35 -0.78 -1.14 0.00 0.00 176.83 175.92 1ozi h ASP 61 N 0.16 0.00 -4.10 3.07 3.58 -0.45 -3.48 116.42 115.20 1ozi h ASP 61 Ca -0.12 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 1ozi h ASP 61 Cb 1.79 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.93 1ozi h ASP 61 CO 0.19 0.35 -0.39 0.61 -2.88 0.00 0.00 179.24 177.12 1ozi n GLY 62 N 0.97 -0.03 1.03 -0.78 0.00 -0.33 -5.00 105.19 101.04 1ozi n GLY 62 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.29 0.00 -3.34 1.61 5.12 -0.61 -5.03 116.66 112.11 1ozi n ARG 63 Ca -0.03 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.51 1ozi n ARG 63 Cb 0.56 -0.01 -0.06 0.00 -1.16 0.00 0.00 32.46 31.79 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 -1.02 4.83 0.29 0.55 1.01 -1.25 -5.07 121.20 120.54 1ozi s ILE 64 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1ozi s ILE 64 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1ozi s ILE 64 CO 0.00 0.45 0.22 -2.28 0.00 0.00 0.00 174.94 173.33 1ozi s HIS 65 N -1.23 1.57 0.35 3.97 2.46 -1.26 -4.28 115.29 116.87 1ozi s HIS 65 Ca 0.31 -1.55 -0.27 0.00 0.47 0.00 0.00 55.06 54.02 1ozi s HIS 65 Cb -0.17 -0.69 -0.09 0.00 -0.13 0.00 0.00 32.58 31.49 1ozi s HIS 65 CO 0.18 -0.76 1.10 -1.59 -2.47 0.00 0.00 174.74 171.20 1ozi s LYS 66 N -3.69 4.35 0.00 2.88 -2.85 -1.26 -3.12 119.74 116.04 1ozi s LYS 66 Ca 0.39 1.73 0.00 0.00 -1.00 0.00 0.00 55.97 57.09 1ozi s LYS 66 Cb 0.04 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1ozi s LYS 66 CO 0.22 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1ozi n GLY 67 N 0.78 2.51 3.77 0.59 0.00 0.89 -4.82 105.19 108.91 1ozi n GLY 67 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 6.90 -0.14 1.61 1.01 -1.18 -1.35 116.67 122.39 1ozi s ASP 68 Ca 0.00 2.29 -0.07 0.00 0.71 0.00 0.00 52.55 55.48 1ozi s ASP 68 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1ozi s ASP 68 CO 0.00 -0.41 0.12 -0.60 0.21 0.00 0.00 175.17 174.49 1ozi s ARG 69 N -1.93 3.63 -0.25 8.23 3.00 -1.21 -0.47 118.95 129.94 1ozi s ARG 69 Ca 0.51 -0.20 -0.08 0.00 -1.00 0.00 0.00 55.73 54.96 1ozi s ARG 69 Cb -0.30 -3.21 -0.04 0.00 0.00 0.00 0.00 34.95 31.40 1ozi s ARG 69 CO 0.39 0.61 0.10 0.08 0.00 0.00 0.00 175.30 176.48 1ozi s VAL 70 N -0.54 4.68 -0.05 7.11 1.01 0.20 -1.50 120.40 131.30 1ozi s VAL 70 Ca 0.12 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1ozi s VAL 70 Cb -0.12 -3.19 -0.31 0.00 0.00 0.00 0.00 36.38 32.77 1ozi s VAL 70 CO 0.02 0.33 0.74 -0.07 0.00 0.00 0.00 175.10 176.12 1ozi h LEU 71 N 8.05 0.56 -7.80 3.92 3.38 -0.60 -3.24 115.31 119.58 1ozi h LEU 71 Ca -0.37 -0.91 0.21 0.00 0.09 0.00 0.00 57.88 56.90 1ozi h LEU 71 Cb 1.18 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1ozi h LEU 71 CO 0.59 1.64 0.64 0.00 0.09 0.00 0.00 178.44 181.40 1ozi s ALA 72 N -2.52 -1.81 -0.35 1.53 0.00 -0.54 -3.51 121.76 114.55 1ozi s ALA 72 Ca -0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1ozi s ALA 72 Cb 0.04 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.94 1ozi s ALA 72 CO 0.84 -1.07 0.11 0.54 0.00 0.00 0.00 175.76 176.17 1ozi s VAL 73 N -2.40 3.29 -1.54 0.00 0.11 0.09 0.22 120.40 120.16 1ozi s VAL 73 Ca 0.20 -1.60 -0.13 0.00 -2.93 0.00 0.00 61.98 57.52 1ozi s VAL 73 Cb -0.01 -3.03 0.09 0.00 -1.53 0.00 0.00 36.38 31.90 1ozi s VAL 73 CO 0.03 -0.36 0.93 -3.20 -3.33 0.00 0.00 175.10 169.17 1ozi n ASN 74 N 4.65 -4.31 0.00 3.54 5.15 0.17 0.26 115.26 124.72 1ozi n ASN 74 Ca -0.09 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1ozi n ASN 74 Cb 0.43 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.94 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ozi n GLY 75 N -1.66 2.95 3.60 8.20 0.00 -1.26 -4.98 105.19 112.04 1ozi n GLY 75 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 4.02 0.06 1.61 1.01 0.14 -4.93 120.40 120.38 1ozi s VAL 76 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 1ozi s VAL 76 Cb 0.00 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 1ozi s VAL 76 CO 0.00 -0.97 1.85 -0.44 0.00 0.00 0.00 175.10 175.54 1ozi s SER 77 N 3.30 6.48 -1.23 3.32 0.01 -1.26 -0.73 113.70 123.59 1ozi s SER 77 Ca 0.53 2.64 -0.11 0.00 1.31 0.00 0.00 55.95 60.32 1ozi s SER 77 Cb -0.10 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.77 1ozi s SER 77 CO 0.31 -1.00 1.64 0.18 0.41 0.00 0.00 173.24 174.77 1ozi n LEU 78 N 6.59 5.99 -4.49 2.44 4.77 -1.23 -4.91 117.00 126.15 1ozi n LEU 78 Ca 0.18 -4.62 -0.42 0.00 -0.03 0.00 0.00 56.01 51.12 1ozi n LEU 78 Cb 0.40 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1ozi n LEU 78 CO 0.66 1.12 0.99 -1.61 -1.33 0.00 0.00 177.39 177.22 1ozi s GLU 79 N 0.62 3.29 -0.85 3.23 0.41 -1.26 -3.86 118.70 120.27 1ozi s GLU 79 Ca 0.40 -0.92 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1ozi s GLU 79 Cb 0.03 -4.51 0.00 0.00 -1.78 0.00 0.00 34.13 27.87 1ozi s GLU 79 CO 0.01 -1.94 0.72 0.41 -0.49 0.00 0.00 175.26 173.97 1ozi n GLY 80 N 5.60 -0.11 3.85 -1.39 0.00 -1.26 -4.98 105.19 106.90 1ozi n GLY 80 Ca 0.08 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.24 3.49 0.49 4.61 0.00 -1.25 -5.07 121.76 120.79 1ozi s ALA 81 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1ozi s ALA 81 Cb -0.04 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 1ozi s ALA 81 CO 0.50 0.42 0.74 -0.08 0.00 0.00 0.00 175.76 177.35 1ozi s THR 82 N -1.70 3.89 0.20 0.00 -1.32 -1.26 -4.83 115.64 110.62 1ozi s THR 82 Ca 0.45 -0.34 -0.21 0.00 -1.21 0.00 0.00 61.69 60.39 1ozi s THR 82 Cb -0.13 -3.47 0.14 0.00 -1.51 0.00 0.00 72.50 67.53 1ozi s THR 82 CO 0.20 -0.38 1.57 -0.74 -2.21 0.00 0.00 174.62 173.06 1ozi h HIS 83 N 0.22 -1.08 -0.39 9.09 2.76 -1.90 -0.84 115.15 123.01 1ozi h HIS 83 Ca -0.46 0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 57.75 1ozi h HIS 83 Cb 1.25 0.58 -0.02 0.00 1.55 0.00 0.00 27.41 30.77 1ozi h HIS 83 CO 0.46 -0.40 0.05 -0.22 -1.30 0.00 0.00 177.93 176.52 1ozi h LYS 84 N -0.11 0.59 -0.30 5.26 3.64 -1.96 -1.77 116.57 121.92 1ozi h LYS 84 Ca 0.26 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1ozi h LYS 84 Cb 0.56 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ozi h LYS 84 CO -0.80 0.58 -0.19 1.96 -2.27 0.00 0.00 179.45 178.73 1ozi h GLN 85 N 0.57 0.66 0.10 1.90 1.08 -1.57 0.16 115.11 118.01 1ozi h GLN 85 Ca 0.13 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1ozi h GLN 85 Cb 0.30 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1ozi h GLN 85 CO 0.00 0.91 -0.27 0.00 -0.95 0.00 0.00 178.83 178.53 1ozi h ALA 86 N 0.74 -0.44 -0.38 3.87 0.00 -1.05 -0.71 119.26 121.30 1ozi h ALA 86 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ozi h ALA 86 Cb 0.73 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ozi h ALA 86 CO 0.05 -0.80 -0.09 0.28 0.00 0.00 0.00 179.25 178.70 1ozi h VAL 87 N -0.46 1.24 -0.10 0.00 2.07 -1.14 -1.73 116.25 116.12 1ozi h VAL 87 Ca 0.04 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1ozi h VAL 87 Cb 0.50 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ozi h VAL 87 CO -0.17 0.36 -0.44 -0.33 0.02 0.00 0.00 177.57 177.01 1ozi h GLU 88 N 0.60 0.24 -0.39 1.57 5.08 -0.47 0.09 114.58 121.31 1ozi h GLU 88 Ca 0.11 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1ozi h GLU 88 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ozi h GLU 88 CO 0.03 0.64 -0.16 1.15 -1.00 0.00 0.00 179.01 179.67 1ozi h THR 89 N 0.20 1.26 0.00 1.13 2.02 -0.53 0.24 112.91 117.23 1ozi h THR 89 Ca 0.02 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1ozi h THR 89 Cb 0.86 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1ozi h THR 89 CO 0.07 0.41 0.00 -0.07 0.37 0.00 0.00 175.52 176.30 1ozi h LEU 90 N 0.64 0.00 0.06 2.58 3.38 -0.47 -0.58 115.31 120.93 1ozi h LEU 90 Ca 0.10 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 1ozi h LEU 90 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1ozi h LEU 90 CO 0.04 0.00 -1.49 -0.09 0.09 0.00 0.00 178.44 176.99 1ozi h ARG 91 N 0.00 0.12 -0.25 1.13 2.43 -0.34 -3.40 114.38 114.07 1ozi h ARG 91 Ca 0.00 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1ozi h ARG 91 Cb 0.59 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1ozi h ARG 91 CO 0.00 1.10 -0.38 -0.97 -1.51 0.00 0.00 179.97 178.21 1ozi h ASN 92 N -0.55 0.60 -0.20 -3.80 -1.24 -0.35 -3.24 115.58 106.81 1ozi h ASN 92 Ca -0.36 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 56.45 1ozi h ASN 92 Cb 1.60 -0.17 -0.06 0.00 0.73 0.00 0.00 38.32 40.43 1ozi h ASN 92 CO -0.07 0.92 -0.17 0.71 -1.29 0.00 0.00 177.43 177.54 1ozi h THR 93 N 0.48 0.54 0.00 -3.57 1.35 -1.32 -3.49 112.91 106.91 1ozi h THR 93 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1ozi h THR 93 Cb 0.87 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1ozi h THR 93 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1ozi n GLY 94 N -1.32 0.40 0.13 5.82 0.00 -1.23 -4.89 105.19 104.10 1ozi n GLY 94 Ca -0.02 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 0.35 -4.82 1.61 4.15 -1.90 -3.42 115.11 111.06 1ozi h GLN 95 Ca 0.00 -0.40 -0.67 0.00 0.77 0.00 0.00 58.65 58.35 1ozi h GLN 95 Cb 0.00 0.12 -0.24 0.00 0.21 0.00 0.00 27.48 27.57 1ozi h GLN 95 CO 0.00 1.10 -0.59 0.08 -1.93 0.00 0.00 178.83 177.48 1ozi s VAL 96 N -3.05 4.32 -0.11 2.39 1.01 -1.26 -0.02 120.40 123.68 1ozi s VAL 96 Ca -0.14 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ozi s VAL 96 Cb 0.02 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1ozi s VAL 96 CO 0.81 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 175.20 1ozi s VAL 97 N 1.58 2.93 -0.10 2.92 1.01 0.12 -4.95 120.40 123.92 1ozi s VAL 97 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1ozi s VAL 97 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1ozi s VAL 97 CO 0.04 0.54 0.26 -2.28 0.00 0.00 0.00 175.10 173.67 1ozi s HIS 98 N 0.14 3.60 0.11 5.22 2.46 -1.26 0.65 115.29 126.20 1ozi s HIS 98 Ca -0.07 0.68 0.05 0.00 0.47 0.00 0.00 55.06 56.19 1ozi s HIS 98 Cb -0.15 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.10 1ozi s HIS 98 CO 0.05 0.56 -0.13 -0.51 -2.47 0.00 0.00 174.74 172.24 1ozi s LEU 99 N -0.60 2.39 -0.24 8.88 1.02 0.19 0.44 118.68 130.77 1ozi s LEU 99 Ca 0.18 -0.79 -0.05 0.00 0.02 0.00 0.00 54.13 53.49 1ozi s LEU 99 Cb -0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.58 1ozi s LEU 99 CO 0.07 -0.17 0.00 -0.22 0.02 0.00 0.00 176.35 176.05 1ozi s LEU 100 N -2.37 3.19 0.42 1.79 2.96 0.13 -1.23 118.68 123.57 1ozi s LEU 100 Ca 0.07 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1ozi s LEU 100 Cb -0.05 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1ozi s LEU 100 CO 0.02 -0.06 0.14 -0.76 -1.32 0.00 0.00 176.35 174.38 1ozi s LEU 101 N 1.51 1.99 0.10 -0.68 1.02 0.00 0.13 118.68 122.75 1ozi s LEU 101 Ca 0.05 -1.71 0.05 0.00 0.02 0.00 0.00 54.13 52.55 1ozi s LEU 101 Cb -0.15 -0.07 -0.03 0.00 0.02 0.00 0.00 46.19 45.95 1ozi s LEU 101 CO -0.01 -0.97 -0.13 -1.83 0.02 0.00 0.00 176.35 173.43 1ozi s GLU 102 N -3.68 0.93 -0.24 1.70 -1.05 -0.57 -0.14 118.70 115.65 1ozi s GLU 102 Ca 0.23 -1.14 -0.28 0.00 -0.15 0.00 0.00 54.97 53.63 1ozi s GLU 102 Cb 0.02 -0.81 -0.04 0.00 -0.44 0.00 0.00 34.13 32.86 1ozi s GLU 102 CO 0.15 0.16 2.15 0.21 0.95 0.00 0.00 175.26 178.87 1ozi s LYS 103 N -2.42 3.15 0.98 -4.83 2.36 0.11 -3.33 119.74 115.75 1ozi s LYS 103 Ca 0.05 1.91 -0.17 0.00 -2.55 0.00 0.00 55.97 55.22 1ozi s LYS 103 Cb -0.06 -4.35 0.24 0.00 -1.05 0.00 0.00 37.83 32.61 1ozi s LYS 103 CO 0.02 -2.08 1.03 0.41 1.55 0.00 0.00 175.35 176.29 1ozi n GLY 104 N 5.71 -2.22 3.11 5.54 0.00 -1.26 -0.62 105.19 115.46 1ozi n GLY 104 Ca 0.29 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1ozi n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ozi s GLN 105 N -5.31 0.26 0.07 1.61 -0.21 -0.45 -4.73 119.66 110.90 1ozi s GLN 105 Ca 0.63 0.54 -0.25 0.00 0.02 0.00 0.00 55.36 56.30 1ozi s GLN 105 Cb -0.04 -0.04 -0.06 0.00 1.00 0.00 0.00 33.01 33.86 1ozi s GLN 105 CO 0.47 -0.13 0.76 0.14 -2.12 0.00 0.00 175.29 174.40 1ozi s VAL 106 N 1.03 4.66 -2.00 1.09 -7.23 -1.26 -4.74 120.40 111.95 1ozi s VAL 106 Ca -0.07 1.63 0.09 0.00 -1.81 0.00 0.00 61.98 61.81 1ozi s VAL 106 Cb -0.08 -4.11 0.25 0.00 0.56 0.00 0.00 36.38 32.99 1ozi s VAL 106 CO -0.07 0.40 0.97 -2.65 -0.31 0.00 0.00 175.10 173.44