#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozi n PRO 10 N 0.00 2.33 0.00 1.97 -0.02 -1.26 -1.18 135.00 136.84 1ozi n PRO 10 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1ozi n PRO 10 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozi n GLY 11 N 3.67 1.46 3.73 -1.23 0.00 0.60 -4.92 105.19 108.51 1ozi n GLY 11 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.73 7.16 -0.38 1.61 1.11 -0.32 -4.66 116.67 119.46 1ozi s ASP 12 Ca 0.00 2.13 -0.13 0.00 0.18 0.00 0.00 52.55 54.73 1ozi s ASP 12 Cb 0.00 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.41 1ozi s ASP 12 CO 0.00 -0.33 0.24 0.42 1.18 0.00 0.00 175.17 176.68 1ozi s THR 13 N 0.11 4.91 0.26 -1.27 -4.23 -1.26 -0.51 115.64 113.65 1ozi s THR 13 Ca 0.53 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1ozi s THR 13 Cb -0.31 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 1ozi s THR 13 CO 0.34 -0.21 -0.09 0.72 -0.54 0.00 0.00 174.62 174.83 1ozi s PHE 14 N 1.62 1.90 -0.60 3.99 -0.71 -0.44 -4.94 117.98 118.80 1ozi s PHE 14 Ca 0.04 -0.64 -0.07 0.00 -1.04 0.00 0.00 56.93 55.22 1ozi s PHE 14 Cb -0.19 -1.00 0.16 0.00 -1.21 0.00 0.00 43.02 40.78 1ozi s PHE 14 CO 0.08 0.33 0.46 -1.21 -1.34 0.00 0.00 175.22 173.55 1ozi s GLU 15 N -3.69 2.72 0.12 1.99 2.02 -1.26 -0.45 118.70 120.15 1ozi s GLU 15 Ca 0.27 -2.22 -0.30 0.00 0.02 0.00 0.00 54.97 52.74 1ozi s GLU 15 Cb 0.02 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.26 1ozi s GLU 15 CO 0.10 -1.20 0.96 0.54 0.02 0.00 0.00 175.26 175.68 1ozi s VAL 16 N 0.52 4.47 -0.48 2.63 0.11 0.26 -4.78 120.40 123.14 1ozi s VAL 16 Ca 0.13 2.07 -0.22 0.00 -2.93 0.00 0.00 61.98 61.03 1ozi s VAL 16 Cb -0.20 -4.32 0.03 0.00 -1.53 0.00 0.00 36.38 30.36 1ozi s VAL 16 CO -0.04 0.33 0.74 -0.70 -3.33 0.00 0.00 175.10 172.11 1ozi s GLU 17 N -0.10 3.30 -0.32 1.54 2.12 -1.26 -0.58 118.70 123.40 1ozi s GLU 17 Ca 0.46 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 55.40 1ozi s GLU 17 Cb -0.23 -4.00 0.06 0.00 0.26 0.00 0.00 34.13 30.22 1ozi s GLU 17 CO 0.30 -1.18 0.05 -1.17 -0.54 0.00 0.00 175.26 172.72 1ozi s LEU 18 N 3.15 4.19 0.07 2.70 1.98 0.71 -4.94 118.68 126.53 1ozi s LEU 18 Ca 0.25 -1.40 -0.01 0.00 -2.89 0.00 0.00 54.13 50.08 1ozi s LEU 18 Cb -0.14 -1.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 1ozi s LEU 18 CO 0.19 -0.32 0.23 0.00 -1.89 0.00 0.00 176.35 174.56 1ozi s ALA 19 N 1.25 3.97 -0.24 5.97 0.00 -1.26 -0.16 121.76 131.29 1ozi s ALA 19 Ca -0.02 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1ozi s ALA 19 Cb -0.20 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1ozi s ALA 19 CO -0.01 0.80 1.55 0.15 0.00 0.00 0.00 175.76 178.24 1ozi s LYS 20 N -2.49 3.82 0.18 0.00 -0.14 0.63 -4.74 119.74 117.00 1ozi s LYS 20 Ca 0.35 1.56 0.02 0.00 -1.36 0.00 0.00 55.97 56.55 1ozi s LYS 20 Cb -0.13 -4.00 0.06 0.00 -1.68 0.00 0.00 37.83 32.08 1ozi s LYS 20 CO 0.27 -1.26 1.42 0.00 -0.76 0.00 0.00 175.35 175.02 1ozi h THR 21 N 6.11 1.46 0.00 2.17 1.03 -1.64 -3.46 112.91 118.58 1ozi h THR 21 Ca -0.32 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 1ozi h THR 21 Cb 1.14 2.33 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 1ozi h THR 21 CO 1.01 0.71 0.00 -0.90 -0.01 0.00 0.00 175.52 176.33 1ozi n ASP 22 N -3.73 0.00 -2.73 0.00 5.68 -1.19 -5.00 116.55 109.58 1ozi n ASP 22 Ca -0.03 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.89 1ozi n ASP 22 Cb 0.76 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.77 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ozi n GLY 23 N -0.50 5.69 7.00 6.12 0.00 -1.09 -5.05 105.19 117.36 1ozi n GLY 23 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1ozi n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozi n SER 24 N -0.58 -0.85 -4.61 1.61 2.88 -1.25 -4.25 113.62 106.57 1ozi n SER 24 Ca 0.52 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.63 1ozi n SER 24 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1ozi n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ozi s LEU 25 N 0.00 3.61 0.00 2.46 2.01 -1.26 -4.05 118.68 121.45 1ozi s LEU 25 Ca 0.00 1.17 -0.03 0.00 0.01 0.00 0.00 54.13 55.27 1ozi s LEU 25 Cb 0.00 -3.53 -0.15 0.00 0.01 0.00 0.00 46.19 42.51 1ozi s LEU 25 CO 0.00 -1.50 2.76 0.61 1.01 0.00 0.00 176.35 179.24 1ozi n GLY 26 N 5.12 2.62 3.00 -3.19 0.00 -1.26 -4.75 105.19 106.72 1ozi n GLY 26 Ca 0.19 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.83 0.09 -0.16 -0.61 -4.36 -1.26 -0.80 121.20 114.93 1ozi s ILE 27 Ca 0.38 -0.74 0.01 0.00 -0.26 0.00 0.00 60.65 60.04 1ozi s ILE 27 Cb 0.18 -0.27 0.00 0.00 1.25 0.00 0.00 42.46 43.63 1ozi s ILE 27 CO 0.00 -0.41 -0.18 -0.55 0.24 0.00 0.00 174.94 174.05 1ozi s SER 28 N -1.25 3.43 0.12 4.36 0.15 0.13 -4.83 113.70 115.82 1ozi s SER 28 Ca -0.14 -0.54 0.09 0.00 0.70 0.00 0.00 55.95 56.06 1ozi s SER 28 Cb -0.08 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 1ozi s SER 28 CO -0.00 0.07 -0.16 0.68 1.20 0.00 0.00 173.24 175.02 1ozi s VAL 29 N 0.92 2.96 0.11 4.45 -7.23 -1.26 -0.32 120.40 120.02 1ozi s VAL 29 Ca -0.04 -1.49 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1ozi s VAL 29 Cb -0.15 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1ozi s VAL 29 CO -0.03 0.07 -0.14 0.28 -0.31 0.00 0.00 175.10 174.98 1ozi s THR 30 N -1.23 1.24 -0.22 5.32 -1.32 0.37 -4.80 115.64 115.00 1ozi s THR 30 Ca 0.19 -1.60 -0.02 0.00 -1.21 0.00 0.00 61.69 59.05 1ozi s THR 30 Cb -0.10 -1.39 0.01 0.00 -1.51 0.00 0.00 72.50 69.50 1ozi s THR 30 CO 0.11 -0.38 -0.08 0.54 -2.21 0.00 0.00 174.62 172.61 1ozi s VAL 31 N -1.93 3.00 -0.18 5.08 0.11 -1.26 -0.16 120.40 125.06 1ozi s VAL 31 Ca 0.06 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1ozi s VAL 31 Cb -0.06 -2.40 0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1ozi s VAL 31 CO 0.02 0.38 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.25 1ozi s LEU 32 N 1.40 2.08 -0.18 2.54 2.01 0.31 -4.93 118.68 121.92 1ozi s LEU 32 Ca 0.04 -0.67 0.13 0.00 0.01 0.00 0.00 54.13 53.65 1ozi s LEU 32 Cb -0.15 -1.36 0.41 0.00 0.01 0.00 0.00 46.19 45.10 1ozi s LEU 32 CO -0.05 -0.04 1.21 0.49 1.01 0.00 0.00 176.35 178.96 1ozi n PHE 33 N 4.66 0.00 -1.96 0.29 3.72 -1.26 -2.24 117.46 120.67 1ozi n PHE 33 Ca -0.19 -1.32 -0.29 0.00 -0.05 0.00 0.00 57.45 55.60 1ozi n PHE 33 Cb 0.49 -0.23 0.06 0.00 -0.94 0.00 0.00 39.48 38.86 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ozi s ASP 34 N -3.03 5.11 0.19 4.37 1.01 -1.26 -5.08 116.67 117.97 1ozi s ASP 34 Ca 0.37 0.93 0.08 0.00 0.71 0.00 0.00 52.55 54.64 1ozi s ASP 34 Cb 0.36 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.62 1ozi s ASP 34 CO -0.08 -1.52 -0.02 -0.54 0.21 0.00 0.00 175.17 173.23 1ozi s LYS 35 N -5.39 2.33 -0.17 8.23 1.02 -1.26 -4.85 119.74 119.65 1ozi s LYS 35 Ca 0.59 -1.18 -0.33 0.00 0.02 0.00 0.00 55.97 55.07 1ozi s LYS 35 Cb -0.11 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 1ozi s LYS 35 CO 0.50 0.44 2.05 0.41 -0.92 0.00 0.00 175.35 177.82 1ozi n GLY 36 N -0.23 1.16 0.00 -3.33 0.00 -1.26 -2.61 105.19 98.92 1ozi n GLY 36 Ca -0.09 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 5.26 1.27 0.00 -0.02 0.00 -0.08 -4.83 105.19 106.79 1ozi n GLY 37 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1ozi n GLY 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ozi n VAL 38 N 0.00 0.00 -0.12 1.61 0.31 -1.07 -4.68 118.33 114.37 1ozi n VAL 38 Ca 0.00 0.65 -0.25 0.00 -0.01 0.00 0.00 64.34 64.72 1ozi n VAL 38 Cb 0.00 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 1ozi n VAL 38 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ozi n ASN 39 N -0.50 1.96 -4.23 4.52 6.94 -1.26 -5.00 115.26 117.69 1ozi n ASN 39 Ca 0.00 0.24 -0.14 0.00 -0.02 0.00 0.00 54.58 54.67 1ozi n ASN 39 Cb 0.00 -0.76 -0.10 0.00 -2.36 0.00 0.00 39.78 36.56 1ozi n ASN 39 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ozi s THR 40 N -2.49 1.07 -0.23 5.53 -4.23 -1.26 -5.05 115.64 108.97 1ozi s THR 40 Ca -0.35 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.24 1ozi s THR 40 Cb 0.12 -1.75 -0.20 0.00 1.34 0.00 0.00 72.50 72.01 1ozi s THR 40 CO 0.55 -0.73 -0.11 -1.54 -0.54 0.00 0.00 174.62 172.25 1ozi n SER 41 N -0.05 1.44 -4.35 3.99 3.41 -1.26 -0.90 113.62 115.90 1ozi n SER 41 Ca -0.11 -0.08 -0.45 0.00 -0.26 0.00 0.00 58.87 57.97 1ozi n SER 41 Cb 0.60 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1ozi n SER 41 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ozi n VAL 42 N -3.13 4.55 -3.63 -3.33 0.24 -1.26 -4.36 118.33 107.42 1ozi n VAL 42 Ca -0.41 -5.31 0.03 0.00 -2.04 0.00 0.00 64.34 56.61 1ozi n VAL 42 Cb 1.04 -2.56 -0.00 0.00 -1.47 0.00 0.00 33.84 30.85 1ozi n VAL 42 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ozi s ARG 43 N -0.93 0.23 0.37 7.34 1.70 -1.26 -4.95 118.95 121.45 1ozi s ARG 43 Ca 0.33 -0.13 -0.10 0.00 -0.47 0.00 0.00 55.73 55.36 1ozi s ARG 43 Cb -0.08 0.07 0.03 0.00 -0.57 0.00 0.00 34.95 34.40 1ozi s ARG 43 CO -0.06 -0.10 0.66 -3.38 -1.08 0.00 0.00 175.30 171.33 1ozi s HIS 44 N -2.21 0.55 -5.00 5.89 -3.43 -1.26 -4.62 115.29 105.20 1ozi s HIS 44 Ca 0.16 -1.03 0.00 0.00 -0.80 0.00 0.00 55.06 53.39 1ozi s HIS 44 Cb 0.06 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1ozi s HIS 44 CO -0.05 -1.40 0.00 0.41 -2.00 0.00 0.00 174.74 171.70 1ozi n GLY 45 N -0.55 -0.62 0.00 -1.38 0.00 -1.26 -5.00 105.19 96.38 1ozi n GLY 45 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.68 3.62 -0.02 0.00 -0.95 -4.66 105.19 102.50 1ozi n GLY 46 Ca 0.00 0.60 -0.43 0.00 0.00 0.00 0.00 46.02 46.19 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 4.50 -0.09 -0.61 -1.09 -1.09 -0.53 121.20 123.49 1ozi s ILE 47 Ca 0.00 1.41 0.04 0.00 -2.23 0.00 0.00 60.65 59.88 1ozi s ILE 47 Cb 0.00 -4.40 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1ozi s ILE 47 CO 0.00 -0.58 -0.24 -0.47 -1.23 0.00 0.00 174.94 172.42 1ozi s TYR 48 N 3.67 2.54 -0.49 3.97 5.04 0.78 0.27 117.35 133.14 1ozi s TYR 48 Ca 0.42 -0.97 -0.28 0.00 -2.44 0.00 0.00 57.07 53.80 1ozi s TYR 48 Cb -0.11 -1.69 0.01 0.00 0.35 0.00 0.00 41.96 40.52 1ozi s TYR 48 CO 0.19 -0.37 1.44 0.08 -1.34 0.00 0.00 175.55 175.55 1ozi s VAL 49 N 0.23 3.81 -0.06 3.14 1.01 -0.96 -0.48 120.40 127.09 1ozi s VAL 49 Ca -0.15 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1ozi s VAL 49 Cb -0.17 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.68 1ozi s VAL 49 CO 0.08 -0.94 0.59 0.50 0.00 0.00 0.00 175.10 175.33 1ozi h LYS 50 N 11.12 0.15 -3.06 2.72 3.64 -1.00 -2.62 116.57 127.52 1ozi h LYS 50 Ca -0.27 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1ozi h LYS 50 Cb 1.10 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.87 1ozi h LYS 50 CO 1.13 0.89 -0.05 0.00 -2.27 0.00 0.00 179.45 179.15 1ozi s ALA 51 N -2.59 -1.09 -0.16 5.00 0.00 -0.55 -4.86 121.76 117.52 1ozi s ALA 51 Ca -0.12 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1ozi s ALA 51 Cb 0.07 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1ozi s ALA 51 CO 0.81 -0.53 -0.16 0.42 0.00 0.00 0.00 175.76 176.30 1ozi s ILE 52 N -2.88 2.56 -0.14 0.00 1.09 -1.26 0.22 121.20 120.79 1ozi s ILE 52 Ca -0.03 -0.80 -0.29 0.00 -1.10 0.00 0.00 60.65 58.43 1ozi s ILE 52 Cb -0.00 -2.08 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 1ozi s ILE 52 CO -0.05 0.52 1.19 -0.63 -0.10 0.00 0.00 174.94 175.87 1ozi s ILE 53 N 0.91 4.37 0.14 2.92 1.09 0.02 -4.93 121.20 125.72 1ozi s ILE 53 Ca -0.04 1.67 -0.34 0.00 -1.10 0.00 0.00 60.65 60.84 1ozi s ILE 53 Cb -0.15 -4.07 -0.14 0.00 -1.06 0.00 0.00 42.46 37.04 1ozi s ILE 53 CO -0.02 -0.09 1.59 -0.81 -0.10 0.00 0.00 174.94 175.51 1ozi n PRO 54 N 6.04 2.12 -1.06 2.79 -0.04 -1.26 -1.62 135.00 141.96 1ozi n PRO 54 Ca 0.12 0.77 -0.02 0.00 -0.04 0.00 0.00 63.50 64.33 1ozi n PRO 54 Cb 0.46 -2.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.37 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ozi n LYS 55 N 3.65 -1.41 0.01 0.54 3.00 -1.26 -4.87 118.16 117.83 1ozi n LYS 55 Ca 0.17 0.46 -0.08 0.00 -0.00 0.00 0.00 58.31 58.87 1ozi n LYS 55 Cb 0.29 -4.57 -0.06 0.00 0.00 0.00 0.00 35.03 30.69 1ozi n LYS 55 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1ozi h GLY 56 N 0.00 -0.16 0.00 3.14 0.00 -1.57 -3.31 103.07 101.17 1ozi h GLY 56 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ozi h GLY 56 CO 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1ozi n ALA 57 N -2.67 0.00 -0.30 3.60 0.00 -1.26 -2.35 120.51 117.54 1ozi n ALA 57 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 1ozi n ALA 57 Cb 0.21 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.92 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 1.35 0.21 0.00 0.00 -1.85 0.72 119.26 119.69 1ozi h ALA 58 Ca 0.00 0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.70 1ozi h ALA 58 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ozi h ALA 58 CO 0.00 -0.20 -1.57 1.49 0.00 0.00 0.00 179.25 178.97 1ozi h GLU 59 N 0.52 0.45 -0.18 0.00 4.81 -1.81 0.39 114.58 118.76 1ozi h GLU 59 Ca 0.51 -0.77 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1ozi h GLU 59 Cb 0.84 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1ozi h GLU 59 CO -0.44 1.37 -0.33 0.77 -0.73 0.00 0.00 179.01 179.65 1ozi h SER 60 N 0.07 0.59 0.50 1.04 0.02 -1.66 -2.93 113.55 111.19 1ozi h SER 60 Ca -0.30 -0.54 -0.22 0.00 -0.84 0.00 0.00 61.79 59.89 1ozi h SER 60 Cb 2.09 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.46 1ozi h SER 60 CO 0.21 1.03 -0.98 -0.78 -1.14 0.00 0.00 176.83 175.17 1ozi h ASP 61 N 0.18 0.40 -1.69 3.07 1.82 0.27 -3.48 116.42 117.00 1ozi h ASP 61 Ca 0.01 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1ozi h ASP 61 Cb 0.92 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1ozi h ASP 61 CO 0.07 1.17 0.00 0.61 -1.61 0.00 0.00 179.24 179.48 1ozi n GLY 62 N 1.04 0.74 0.71 -0.78 0.00 -0.59 -5.05 105.19 101.26 1ozi n GLY 62 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.84 0.00 -3.62 1.61 5.12 0.03 -5.02 116.66 113.93 1ozi n ARG 63 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 1ozi n ARG 63 Cb 0.32 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.57 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 -0.66 5.13 0.25 0.55 1.01 -1.22 -5.04 121.20 121.21 1ozi s ILE 64 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1ozi s ILE 64 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1ozi s ILE 64 CO 0.00 0.13 0.28 -1.38 0.00 0.00 0.00 174.94 173.97 1ozi s HIS 65 N -1.56 1.06 0.22 3.97 -3.43 -1.26 -4.12 115.29 110.16 1ozi s HIS 65 Ca 0.38 -1.26 -0.31 0.00 -0.80 0.00 0.00 55.06 53.07 1ozi s HIS 65 Cb -0.13 -0.35 -0.10 0.00 -1.43 0.00 0.00 32.58 30.58 1ozi s HIS 65 CO 0.22 -0.83 1.50 0.15 -2.00 0.00 0.00 174.74 173.77 1ozi s LYS 66 N -3.86 4.24 0.00 -0.38 1.02 -1.26 -3.17 119.74 116.32 1ozi s LYS 66 Ca 0.34 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.67 1ozi s LYS 66 Cb 0.04 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 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 2.81 2.64 3.84 -3.33 0.00 -0.99 -4.77 105.19 105.40 1ozi n GLY 67 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.49 6.82 -0.12 1.61 1.11 -1.19 -1.99 116.67 121.42 1ozi s ASP 68 Ca 0.00 1.32 -0.05 0.00 0.18 0.00 0.00 52.55 54.00 1ozi s ASP 68 Cb 0.00 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1ozi s ASP 68 CO 0.00 -0.18 0.08 -0.60 1.18 0.00 0.00 175.17 175.65 1ozi s ARG 69 N -2.85 3.35 -0.17 8.23 3.52 -0.93 -2.28 118.95 127.83 1ozi s ARG 69 Ca 0.53 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1ozi s ARG 69 Cb -0.11 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1ozi s ARG 69 CO 0.18 0.69 -0.06 0.08 -0.81 0.00 0.00 175.30 175.38 1ozi s VAL 70 N -0.80 3.55 -0.10 7.11 1.01 0.14 -0.67 120.40 130.63 1ozi s VAL 70 Ca 0.13 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1ozi s VAL 70 Cb -0.12 -2.56 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1ozi s VAL 70 CO 0.03 0.48 0.02 0.18 0.00 0.00 0.00 175.10 175.81 1ozi n LEU 71 N 3.90 0.23 -3.83 3.92 4.77 0.65 -2.68 117.00 123.95 1ozi n LEU 71 Ca -0.18 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1ozi n LEU 71 Cb 0.52 0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 1ozi n LEU 71 CO 0.31 0.28 0.53 0.00 -1.33 0.00 0.00 177.39 177.18 1ozi s ALA 72 N -2.24 -1.18 -0.24 -1.18 0.00 -0.64 -1.37 121.76 114.91 1ozi s ALA 72 Ca -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1ozi s ALA 72 Cb 0.03 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.97 1ozi s ALA 72 CO 0.39 -1.03 -0.12 0.54 0.00 0.00 0.00 175.76 175.55 1ozi s VAL 73 N -3.39 2.39 -1.28 0.00 0.11 0.52 0.43 120.40 119.18 1ozi s VAL 73 Ca 0.13 -1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 57.86 1ozi s VAL 73 Cb -0.05 -2.24 0.07 0.00 -1.53 0.00 0.00 36.38 32.63 1ozi s VAL 73 CO 0.07 0.19 0.17 -0.46 -3.33 0.00 0.00 175.10 171.74 1ozi n ASN 74 N 4.56 -0.04 0.00 3.54 0.23 0.12 0.58 115.26 124.26 1ozi n ASN 74 Ca -0.17 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 1ozi n ASN 74 Cb 0.46 -1.22 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 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 -1.75 0.62 3.50 4.83 0.00 -1.26 -5.04 105.19 106.08 1ozi n GLY 75 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.17 5.07 0.37 1.61 1.01 0.20 -5.06 120.40 121.43 1ozi s VAL 76 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1ozi s VAL 76 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1ozi s VAL 76 CO 0.00 -0.01 1.04 -0.44 0.00 0.00 0.00 175.10 175.69 1ozi s SER 77 N 1.68 6.90 -0.13 3.32 0.01 -1.26 -0.36 113.70 123.87 1ozi s SER 77 Ca 0.05 2.04 0.18 0.00 1.31 0.00 0.00 55.95 59.53 1ozi s SER 77 Cb -0.17 -2.59 0.44 0.00 0.21 0.00 0.00 66.02 63.90 1ozi s SER 77 CO 0.09 -0.39 1.19 0.00 0.41 0.00 0.00 173.24 174.54 1ozi n LEU 78 N 0.18 2.06 -4.55 2.44 -0.00 -0.47 -4.88 117.00 111.77 1ozi n LEU 78 Ca 0.04 -3.09 -0.32 0.00 -0.00 0.00 0.00 56.01 52.64 1ozi n LEU 78 Cb 0.49 -0.20 -0.04 0.00 -0.00 0.00 0.00 43.42 43.67 1ozi n LEU 78 CO 0.46 1.05 1.49 -1.61 -0.00 0.00 0.00 177.39 178.78 1ozi s GLU 79 N -1.94 2.53 0.00 1.47 0.41 -1.22 -1.25 118.70 118.72 1ozi s GLU 79 Ca 0.36 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 1ozi s GLU 79 Cb 0.38 -4.71 0.00 0.00 -1.78 0.00 0.00 34.13 28.02 1ozi s GLU 79 CO -0.10 -3.11 0.00 0.41 -0.49 0.00 0.00 175.26 171.97 1ozi n GLY 80 N 6.27 1.58 3.95 -1.39 0.00 -1.26 -5.12 105.19 109.22 1ozi n GLY 80 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 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 3.44 0.35 4.61 0.00 -0.38 -5.09 121.76 122.69 1ozi s ALA 81 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1ozi s ALA 81 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1ozi s ALA 81 CO 0.00 -1.17 0.53 0.95 0.00 0.00 0.00 175.76 176.07 1ozi s THR 82 N -3.09 4.56 0.28 0.00 -4.23 -1.26 -4.92 115.64 106.99 1ozi s THR 82 Ca 0.60 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1ozi s THR 82 Cb -0.10 -3.64 0.27 0.00 1.34 0.00 0.00 72.50 70.38 1ozi s THR 82 CO 0.43 -0.35 1.77 1.12 -0.54 0.00 0.00 174.62 177.05 1ozi h HIS 83 N 0.76 0.94 -0.33 3.99 2.07 -1.88 -0.27 115.15 120.43 1ozi h HIS 83 Ca -0.48 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 56.95 1ozi h HIS 83 Cb 1.24 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.93 1ozi h HIS 83 CO 0.46 0.22 -0.30 -0.22 -3.07 0.00 0.00 177.93 175.03 1ozi h LYS 84 N 0.72 0.69 -0.53 5.12 3.64 -1.93 -2.40 116.57 121.88 1ozi h LYS 84 Ca 0.53 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1ozi h LYS 84 Cb 0.77 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1ozi h LYS 84 CO -0.37 0.91 -0.02 1.96 -2.27 0.00 0.00 179.45 179.66 1ozi h GLN 85 N 0.59 0.95 0.28 1.90 1.08 -1.64 -1.34 115.11 116.94 1ozi h GLN 85 Ca 0.07 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1ozi h GLN 85 Cb 0.81 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 1ozi h GLN 85 CO 0.07 0.97 -0.51 0.00 -0.95 0.00 0.00 178.83 178.41 1ozi h ALA 86 N 0.94 -1.06 -0.06 3.87 0.00 -0.94 -0.74 119.26 121.28 1ozi h ALA 86 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ozi h ALA 86 Cb 0.56 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ozi h ALA 86 CO 0.03 -1.15 -0.06 0.28 0.00 0.00 0.00 179.25 178.35 1ozi h VAL 87 N -0.85 1.08 -0.45 0.00 2.07 -1.41 -1.12 116.25 115.57 1ozi h VAL 87 Ca -0.03 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1ozi h VAL 87 Cb 0.80 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1ozi h VAL 87 CO -0.19 0.11 -0.20 -0.08 0.02 0.00 0.00 177.57 177.23 1ozi h GLU 88 N 0.08 0.89 -0.17 1.57 4.57 -0.82 0.18 114.58 120.89 1ozi h GLU 88 Ca 0.02 -0.36 -0.17 0.00 -1.18 0.00 0.00 59.36 57.67 1ozi h GLU 88 Cb 0.17 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ozi h GLU 88 CO 0.01 1.01 -0.61 1.15 -1.18 0.00 0.00 179.01 179.39 1ozi h THR 89 N 0.78 1.32 0.00 0.32 2.02 -0.04 -1.61 112.91 115.70 1ozi h THR 89 Ca 0.11 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1ozi h THR 89 Cb 0.74 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1ozi h THR 89 CO 0.06 0.58 0.00 -0.07 0.37 0.00 0.00 175.52 176.46 1ozi h LEU 90 N 0.43 0.00 0.00 2.58 3.38 -0.74 -1.25 115.31 119.71 1ozi h LEU 90 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1ozi h LEU 90 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1ozi h LEU 90 CO 0.11 0.00 -1.67 -2.11 0.09 0.00 0.00 178.44 174.87 1ozi n ARG 91 N -3.01 0.64 0.15 1.13 -4.01 0.01 -4.10 116.66 107.47 1ozi n ARG 91 Ca 0.02 0.17 0.09 0.00 -1.04 0.00 0.00 57.85 57.09 1ozi n ARG 91 Cb 0.36 -1.74 0.06 0.00 -3.04 0.00 0.00 32.46 28.11 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1ozi h ASN 92 N 0.00 0.00 -0.30 2.89 2.35 -1.00 -3.36 115.58 116.15 1ozi h ASN 92 Ca -0.24 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.41 1ozi h ASN 92 Cb 1.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 1ozi h ASN 92 CO 0.05 0.14 -0.22 0.71 -1.65 0.00 0.00 177.43 176.46 1ozi h THR 93 N 0.00 1.30 0.00 2.81 1.35 -1.38 -3.50 112.91 113.49 1ozi h THR 93 Ca -0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1ozi h THR 93 Cb 1.13 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1ozi h THR 93 CO 0.02 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1ozi n GLY 94 N 0.07 0.53 0.12 5.82 0.00 -1.26 -4.92 105.19 105.55 1ozi n GLY 94 Ca -0.03 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 1ozi n GLY 94 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ozi h GLN 95 N 0.00 0.24 -4.61 1.61 3.07 -1.92 -3.43 115.11 110.07 1ozi h GLN 95 Ca 0.00 -0.41 -0.70 0.00 0.09 0.00 0.00 58.65 57.63 1ozi h GLN 95 Cb 0.00 0.15 -0.27 0.00 0.08 0.00 0.00 27.48 27.45 1ozi h GLN 95 CO 0.00 1.09 -0.55 0.08 0.09 0.00 0.00 178.83 179.54 1ozi s VAL 96 N -2.58 4.19 -0.22 1.86 1.01 -1.26 -0.27 120.40 123.13 1ozi s VAL 96 Ca -0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 1ozi s VAL 96 Cb 0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ozi s VAL 96 CO 0.81 -0.24 -0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1ozi s VAL 97 N 1.47 3.25 0.15 2.92 1.01 0.77 -4.93 120.40 125.04 1ozi s VAL 97 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1ozi s VAL 97 Cb -0.20 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 1ozi s VAL 97 CO 0.05 0.42 0.88 -1.00 0.00 0.00 0.00 175.10 175.44 1ozi s HIS 98 N 1.46 3.87 0.10 5.22 3.76 -1.26 -0.21 115.29 128.23 1ozi s HIS 98 Ca 0.05 1.73 0.09 0.00 -0.15 0.00 0.00 55.06 56.79 1ozi s HIS 98 Cb -0.14 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 1ozi s HIS 98 CO -0.04 0.36 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.46 1ozi s LEU 99 N -0.59 2.28 -0.43 0.89 1.02 0.26 0.15 118.68 122.26 1ozi s LEU 99 Ca 0.41 -0.69 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 1ozi s LEU 99 Cb -0.23 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 44.93 1ozi s LEU 99 CO 0.28 0.14 0.36 -0.22 0.02 0.00 0.00 176.35 176.93 1ozi s LEU 100 N -1.82 5.13 0.30 1.79 1.98 0.17 -0.58 118.68 125.66 1ozi s LEU 100 Ca 0.10 -0.92 0.08 0.00 -2.89 0.00 0.00 54.13 50.51 1ozi s LEU 100 Cb -0.10 -2.23 -0.04 0.00 0.66 0.00 0.00 46.19 44.48 1ozi s LEU 100 CO 0.04 -0.53 0.12 -0.76 -1.89 0.00 0.00 176.35 173.34 1ozi s LEU 101 N 1.81 3.36 -0.12 -0.68 1.02 0.40 -0.26 118.68 124.21 1ozi s LEU 101 Ca 0.07 -0.63 0.02 0.00 0.02 0.00 0.00 54.13 53.61 1ozi s LEU 101 Cb -0.19 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.16 1ozi s LEU 101 CO 0.10 -0.17 -0.17 -0.70 0.02 0.00 0.00 176.35 175.42 1ozi s GLU 102 N -3.81 2.50 -0.21 1.70 2.12 0.15 -1.32 118.70 119.84 1ozi s GLU 102 Ca 0.35 -0.66 -0.32 0.00 0.36 0.00 0.00 54.97 54.70 1ozi s GLU 102 Cb -0.05 -2.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.15 1ozi s GLU 102 CO 0.23 -0.06 2.11 1.17 -0.54 0.00 0.00 175.26 178.16 1ozi n LYS 103 N 4.21 1.82 -0.06 4.30 0.00 0.34 -2.19 118.16 126.58 1ozi n LYS 103 Ca -0.19 0.57 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1ozi n LYS 103 Cb 0.51 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.71 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 5.55 -0.24 2.96 3.14 0.00 -1.26 -0.29 105.19 115.05 1ozi n GLY 104 Ca 0.31 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.23 0.29 0.26 1.61 -0.21 -0.84 -4.70 119.66 115.85 1ozi s GLN 105 Ca 0.00 -0.39 -0.23 0.00 0.02 0.00 0.00 55.36 54.76 1ozi s GLN 105 Cb 0.00 -0.10 -0.09 0.00 1.00 0.00 0.00 33.01 33.82 1ozi s GLN 105 CO 0.00 0.02 0.83 0.14 -2.12 0.00 0.00 175.29 174.15 1ozi s VAL 106 N -0.78 4.40 -2.00 1.09 -7.23 -1.26 -4.58 120.40 110.03 1ozi s VAL 106 Ca -0.07 1.55 0.10 0.00 -1.81 0.00 0.00 61.98 61.75 1ozi s VAL 106 Cb -0.06 -3.94 0.29 0.00 0.56 0.00 0.00 36.38 33.23 1ozi s VAL 106 CO -0.00 0.19 1.05 -2.65 -0.31 0.00 0.00 175.10 173.38