#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 0.79 0.00 1.97 -0.02 -1.26 -2.31 135.00 134.17 1ozi n PRO 10 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1ozi n PRO 10 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.67 0.00 3.50 -1.23 0.00 -1.00 -4.53 105.19 103.60 1ozi n GLY 11 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.90 0.11 1.61 2.15 -0.98 -4.79 116.67 118.68 1ozi s ASP 12 Ca 0.00 -0.68 -0.12 0.00 0.43 0.00 0.00 52.55 52.17 1ozi s ASP 12 Cb 0.00 -0.52 -0.06 0.00 -0.30 0.00 0.00 42.92 42.03 1ozi s ASP 12 CO 0.00 0.12 0.48 0.42 -0.17 0.00 0.00 175.17 176.02 1ozi s THR 13 N -1.61 4.97 0.03 1.71 -4.23 -1.26 -0.89 115.64 114.35 1ozi s THR 13 Ca 0.22 0.67 -0.25 0.00 -1.18 0.00 0.00 61.69 61.15 1ozi s THR 13 Cb -0.09 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.12 1ozi s THR 13 CO 0.12 0.28 0.57 0.72 -0.54 0.00 0.00 174.62 175.78 1ozi s PHE 14 N -1.41 -0.51 -0.68 3.99 -0.71 -0.04 -4.97 117.98 113.64 1ozi s PHE 14 Ca 0.35 0.66 -0.04 0.00 -1.04 0.00 0.00 56.93 56.86 1ozi s PHE 14 Cb -0.15 0.38 0.18 0.00 -1.21 0.00 0.00 43.02 42.22 1ozi s PHE 14 CO 0.18 -0.65 0.52 -1.21 -1.34 0.00 0.00 175.22 172.72 1ozi s GLU 15 N -2.16 2.78 0.27 1.99 2.02 -1.26 -0.25 118.70 122.10 1ozi s GLU 15 Ca -0.07 -2.62 -0.25 0.00 0.02 0.00 0.00 54.97 52.05 1ozi s GLU 15 Cb -0.01 -3.84 -0.09 0.00 0.10 0.00 0.00 34.13 30.29 1ozi s GLU 15 CO 0.01 -1.20 0.89 0.54 0.02 0.00 0.00 175.26 175.52 1ozi s VAL 16 N -0.20 4.27 -0.36 2.63 0.11 0.19 -4.77 120.40 122.27 1ozi s VAL 16 Ca 0.18 1.76 -0.11 0.00 -2.93 0.00 0.00 61.98 60.89 1ozi s VAL 16 Cb -0.18 -4.05 0.02 0.00 -1.53 0.00 0.00 36.38 30.64 1ozi s VAL 16 CO -0.05 0.26 0.20 -1.83 -3.33 0.00 0.00 175.10 170.35 1ozi s GLU 17 N -1.79 2.95 -0.17 1.54 -1.05 -1.26 0.49 118.70 119.40 1ozi s GLU 17 Ca 0.46 -1.00 -0.03 0.00 -0.15 0.00 0.00 54.97 54.25 1ozi s GLU 17 Cb -0.20 -3.71 -0.02 0.00 -0.44 0.00 0.00 34.13 29.77 1ozi s GLU 17 CO 0.25 -0.64 -0.06 -1.17 0.95 0.00 0.00 175.26 174.59 1ozi s LEU 18 N 1.57 2.99 -0.08 1.83 1.98 0.39 -4.92 118.68 122.44 1ozi s LEU 18 Ca 0.03 -0.27 -0.05 0.00 -2.89 0.00 0.00 54.13 50.95 1ozi s LEU 18 Cb -0.19 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 44.90 1ozi s LEU 18 CO 0.07 0.11 0.12 0.00 -1.89 0.00 0.00 176.35 174.76 1ozi s ALA 19 N 0.72 3.78 -0.08 5.97 0.00 -1.26 -0.76 121.76 130.14 1ozi s ALA 19 Ca -0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1ozi s ALA 19 Cb -0.15 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1ozi s ALA 19 CO 0.02 0.65 1.77 0.15 0.00 0.00 0.00 175.76 178.35 1ozi s LYS 20 N -1.30 4.01 -0.12 0.00 -0.14 0.15 -4.61 119.74 117.72 1ozi s LYS 20 Ca 0.18 2.17 -0.08 0.00 -1.36 0.00 0.00 55.97 56.88 1ozi s LYS 20 Cb -0.12 -4.07 -0.03 0.00 -1.68 0.00 0.00 37.83 31.93 1ozi s LYS 20 CO 0.08 -1.07 -0.15 2.41 -0.76 0.00 0.00 175.35 175.86 1ozi n THR 21 N 5.87 1.22 0.00 2.17 -1.04 -0.96 -4.92 114.28 116.62 1ozi n THR 21 Ca 0.19 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1ozi n THR 21 Cb 0.43 -2.27 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1ozi n THR 21 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ozi n ASP 22 N -4.29 0.00 -2.57 8.00 2.03 -1.26 -4.90 116.55 113.56 1ozi n ASP 22 Ca -0.06 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.01 1ozi n ASP 22 Cb 0.23 0.18 -0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.43 5.23 6.84 0.27 0.00 -1.26 -5.09 105.19 110.76 1ozi n GLY 23 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.38 0.00 0.02 1.61 7.64 -1.26 -3.51 113.62 117.74 1ozi n SER 24 Ca 0.33 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.35 1ozi n SER 24 Cb 0.66 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.42 1ozi n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ozi n LEU 25 N 0.00 0.18 0.00 -3.43 4.77 -1.26 -2.27 117.00 114.98 1ozi n LEU 25 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1ozi n LEU 25 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1ozi n LEU 25 CO 0.00 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1ozi n GLY 26 N 1.46 0.62 3.40 -0.72 0.00 -1.23 -0.60 105.19 108.13 1ozi n GLY 26 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.17 2.95 -0.46 -0.61 -4.36 -1.26 0.24 121.20 115.53 1ozi s ILE 27 Ca 0.00 -0.73 -0.17 0.00 -0.26 0.00 0.00 60.65 59.49 1ozi s ILE 27 Cb 0.00 -2.19 0.04 0.00 1.25 0.00 0.00 42.46 41.56 1ozi s ILE 27 CO 0.00 0.56 0.47 -0.55 0.24 0.00 0.00 174.94 175.65 1ozi s SER 28 N -0.12 6.19 0.17 4.36 0.15 0.72 -4.96 113.70 120.22 1ozi s SER 28 Ca -0.02 -0.92 -0.02 0.00 0.70 0.00 0.00 55.95 55.70 1ozi s SER 28 Cb -0.14 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1ozi s SER 28 CO 0.04 -0.67 0.37 0.68 1.20 0.00 0.00 173.24 174.85 1ozi s VAL 29 N 2.11 5.21 0.04 4.45 -7.23 -1.26 0.36 120.40 124.08 1ozi s VAL 29 Ca 0.10 -0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 59.96 1ozi s VAL 29 Cb -0.20 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 1ozi s VAL 29 CO 0.11 -0.09 0.06 0.28 -0.31 0.00 0.00 175.10 175.16 1ozi s THR 30 N -1.78 0.15 -0.26 5.32 -1.32 0.14 -4.78 115.64 113.11 1ozi s THR 30 Ca 0.39 -1.25 0.02 0.00 -1.21 0.00 0.00 61.69 59.64 1ozi s THR 30 Cb -0.11 -1.02 0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1ozi s THR 30 CO 0.28 -0.69 -0.10 0.54 -2.21 0.00 0.00 174.62 172.44 1ozi s VAL 31 N -2.91 2.33 0.08 5.08 0.11 -1.26 -0.20 120.40 123.62 1ozi s VAL 31 Ca -0.02 -1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 57.22 1ozi s VAL 31 Cb 0.01 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1ozi s VAL 31 CO -0.06 0.02 0.99 -0.76 -3.33 0.00 0.00 175.10 171.96 1ozi s LEU 32 N 1.15 4.45 0.00 2.54 1.02 -1.26 -4.93 118.68 121.65 1ozi s LEU 32 Ca -0.07 1.78 0.25 0.00 0.02 0.00 0.00 54.13 56.11 1ozi s LEU 32 Cb -0.19 -3.58 0.45 0.00 0.02 0.00 0.00 46.19 42.88 1ozi s LEU 32 CO -0.05 -0.16 1.41 0.49 0.02 0.00 0.00 176.35 178.05 1ozi n PHE 33 N 3.19 0.09 0.81 0.29 3.72 -1.26 -4.40 117.46 119.89 1ozi n PHE 33 Ca 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ozi n PHE 33 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ozi n ASP 34 N 1.05 1.85 -4.55 4.37 8.00 -1.26 -4.71 116.55 121.30 1ozi n ASP 34 Ca 0.16 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 1ozi n ASP 34 Cb 0.53 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1ozi n ASP 34 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ozi s LYS 35 N -0.23 3.30 -0.63 -1.24 1.02 -1.26 -4.88 119.74 115.81 1ozi s LYS 35 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 55.79 1ozi s LYS 35 Cb 0.00 -4.12 -0.09 0.00 -0.52 0.00 0.00 37.83 33.10 1ozi s LYS 35 CO 0.00 -1.92 3.08 0.41 -0.92 0.00 0.00 175.35 176.00 1ozi n GLY 36 N 5.25 3.95 1.76 -3.33 0.00 -1.26 -4.68 105.19 106.88 1ozi n GLY 36 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 2.13 2.36 3.20 -0.02 0.00 -1.26 -4.90 105.19 106.70 1ozi n GLY 37 Ca 0.54 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.19 0.14 0.38 1.61 0.11 -1.26 -5.14 120.40 116.04 1ozi s VAL 38 Ca 0.00 -1.12 -0.26 0.00 -2.93 0.00 0.00 61.98 57.66 1ozi s VAL 38 Cb 0.00 -1.27 -0.09 0.00 -1.53 0.00 0.00 36.38 33.49 1ozi s VAL 38 CO 0.00 -0.62 1.21 0.54 -3.33 0.00 0.00 175.10 172.89 1ozi s ASN 39 N -2.75 6.60 0.00 3.54 4.22 -1.26 -4.95 114.94 120.35 1ozi s ASN 39 Ca 0.03 2.44 0.00 0.00 -2.14 0.00 0.00 52.86 53.20 1ozi s ASN 39 Cb 0.04 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1ozi s ASN 39 CO -0.10 -0.63 0.00 1.07 -2.04 0.00 0.00 177.10 175.40 1ozi n THR 40 N 0.31 0.00 0.38 0.54 5.66 -1.26 -4.99 114.28 114.92 1ozi n THR 40 Ca 0.03 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.86 1ozi n THR 40 Cb 0.45 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.14 1ozi n THR 40 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1ozi h SER 41 N 0.00 -0.83 -3.88 1.09 0.02 -2.03 -3.43 113.55 104.49 1ozi h SER 41 Ca 0.00 0.01 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1ozi h SER 41 Cb 0.00 0.21 0.08 0.00 0.14 0.00 0.00 62.40 62.83 1ozi h SER 41 CO 0.00 -0.52 0.25 0.68 -1.14 0.00 0.00 176.83 176.10 1ozi s VAL 42 N -5.49 2.51 -0.00 2.27 -7.23 -1.26 -5.09 120.40 106.10 1ozi s VAL 42 Ca -0.17 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1ozi s VAL 42 Cb 0.02 -3.09 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 1ozi s VAL 42 CO 0.55 -0.10 -0.03 -0.13 -0.31 0.00 0.00 175.10 175.08 1ozi s ARG 43 N -5.25 0.24 0.00 4.82 0.52 -1.26 -4.74 118.95 113.27 1ozi s ARG 43 Ca 0.59 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1ozi s ARG 43 Cb -0.11 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.14 1ozi s ARG 43 CO 0.46 0.06 0.00 0.72 0.02 0.00 0.00 175.30 176.56 1ozi n HIS 44 N 2.98 0.00 0.00 -0.53 8.25 -1.26 -5.03 115.22 119.63 1ozi n HIS 44 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1ozi n HIS 44 Cb 0.59 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1ozi n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ozi n GLY 45 N 2.91 2.01 0.00 -1.41 0.00 -1.26 -4.10 105.19 103.34 1ozi n GLY 45 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.03 3.57 -0.02 0.00 -1.18 -4.12 105.19 103.41 1ozi n GLY 46 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N 0.00 3.20 -0.05 -0.61 -1.09 0.44 -4.55 121.20 118.54 1ozi s ILE 47 Ca 0.00 -1.64 0.03 0.00 -2.23 0.00 0.00 60.65 56.81 1ozi s ILE 47 Cb 0.00 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1ozi s ILE 47 CO 0.00 -0.10 -0.14 -0.47 -1.23 0.00 0.00 174.94 173.01 1ozi s TYR 48 N -1.68 1.45 -0.44 3.97 5.04 0.72 0.38 117.35 126.80 1ozi s TYR 48 Ca 0.25 -0.45 -0.29 0.00 -2.44 0.00 0.00 57.07 54.13 1ozi s TYR 48 Cb -0.09 -1.02 0.03 0.00 0.35 0.00 0.00 41.96 41.23 1ozi s TYR 48 CO 0.15 -0.19 1.12 0.08 -1.34 0.00 0.00 175.55 175.37 1ozi s VAL 49 N 0.30 4.28 0.00 3.14 1.01 0.45 0.24 120.40 129.82 1ozi s VAL 49 Ca -0.08 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 1ozi s VAL 49 Cb -0.12 -4.56 -0.34 0.00 0.00 0.00 0.00 36.38 31.36 1ozi s VAL 49 CO 0.02 -0.88 0.97 0.50 0.00 0.00 0.00 175.10 175.71 1ozi h LYS 50 N 8.94 0.46 -3.29 2.72 3.64 -0.40 0.20 116.57 128.84 1ozi h LYS 50 Ca -0.22 -0.78 -0.06 0.00 -1.27 0.00 0.00 60.65 58.32 1ozi h LYS 50 Cb 1.06 0.29 -0.14 0.00 -0.41 0.00 0.00 32.23 33.03 1ozi h LYS 50 CO 1.10 1.37 -0.08 0.00 -2.27 0.00 0.00 179.45 179.58 1ozi s ALA 51 N -2.56 -0.96 -0.18 5.00 0.00 -0.92 -4.60 121.76 117.55 1ozi s ALA 51 Ca -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1ozi s ALA 51 Cb 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1ozi s ALA 51 CO 0.90 -0.60 -0.09 0.42 0.00 0.00 0.00 175.76 176.40 1ozi s ILE 52 N -3.46 3.13 -0.18 0.00 -1.09 -1.26 -0.20 121.20 118.14 1ozi s ILE 52 Ca 0.01 -0.60 -0.28 0.00 -2.23 0.00 0.00 60.65 57.55 1ozi s ILE 52 Cb 0.01 -2.37 -0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1ozi s ILE 52 CO -0.10 0.48 0.98 -0.63 -1.23 0.00 0.00 174.94 174.44 1ozi s ILE 53 N 0.99 4.76 -1.18 2.92 1.09 0.14 -4.94 121.20 124.97 1ozi s ILE 53 Ca -0.01 1.92 -0.23 0.00 -1.10 0.00 0.00 60.65 61.24 1ozi s ILE 53 Cb -0.15 -4.26 -0.10 0.00 -1.06 0.00 0.00 42.46 36.89 1ozi s ILE 53 CO -0.01 -0.08 1.95 -2.16 -0.10 0.00 0.00 174.94 174.54 1ozi s PRO 54 N 2.65 2.41 0.00 2.79 0.04 -1.26 -3.89 135.00 137.73 1ozi s PRO 54 Ca 0.43 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1ozi s PRO 54 Cb -0.16 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1ozi s PRO 54 CO 0.11 -4.09 0.00 1.63 0.04 0.00 0.00 177.00 174.69 1ozi n LYS 55 N 8.27 0.00 -3.22 4.56 4.76 -1.26 -5.17 118.16 126.11 1ozi n LYS 55 Ca 0.45 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1ozi n LYS 55 Cb 0.47 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 56 N 1.00 -0.21 7.00 0.72 0.00 -1.25 -4.98 105.19 107.47 1ozi n GLY 56 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.20 0.00 -0.08 4.61 0.00 -1.26 -3.09 120.51 120.49 1ozi n ALA 57 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ozi n ALA 57 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.62 1.08 -0.13 0.00 0.00 -1.17 0.16 119.26 118.59 1ozi h ALA 58 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1ozi h ALA 58 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ozi h ALA 58 CO 0.00 0.57 -0.04 1.49 0.00 0.00 0.00 179.25 181.28 1ozi h GLU 59 N 0.68 0.25 -0.29 0.00 4.81 -1.72 0.16 114.58 118.47 1ozi h GLU 59 Ca 0.12 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1ozi h GLU 59 Cb 0.52 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ozi h GLU 59 CO 0.03 0.55 -0.28 0.77 -0.73 0.00 0.00 179.01 179.35 1ozi h SER 60 N -0.07 0.74 0.69 1.04 0.02 -1.63 -2.51 113.55 111.83 1ozi h SER 60 Ca 0.03 -0.47 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 1ozi h SER 60 Cb 0.46 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ozi h SER 60 CO 0.01 1.06 -0.43 -0.78 -1.14 0.00 0.00 176.83 175.55 1ozi h ASP 61 N 0.44 0.00 -4.56 3.07 3.58 -0.76 -3.47 116.42 114.72 1ozi h ASP 61 Ca 0.05 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.22 1ozi h ASP 61 Cb 0.85 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.01 1ozi h ASP 61 CO 0.07 0.43 -0.51 0.61 -2.88 0.00 0.00 179.24 176.96 1ozi n GLY 62 N 0.09 -0.14 0.45 -0.78 0.00 0.50 -4.94 105.19 100.37 1ozi n GLY 62 Ca -0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.61 0.37 -3.78 1.61 5.12 -0.87 -4.93 116.66 110.58 1ozi n ARG 63 Ca -0.07 0.16 -0.36 0.00 -1.93 0.00 0.00 57.85 55.66 1ozi n ARG 63 Cb 0.57 -1.13 -0.10 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.35 5.10 0.30 0.55 1.01 -1.24 -5.07 121.20 119.50 1ozi s ILE 64 Ca -0.24 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1ozi s ILE 64 Cb 0.09 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1ozi s ILE 64 CO 0.31 0.39 -0.03 -2.28 0.00 0.00 0.00 174.94 173.33 1ozi s HIS 65 N 0.81 2.04 0.10 3.97 2.46 -1.26 -4.25 115.29 119.15 1ozi s HIS 65 Ca 0.06 -0.73 -0.31 0.00 0.47 0.00 0.00 55.06 54.55 1ozi s HIS 65 Cb -0.13 -1.22 -0.09 0.00 -0.13 0.00 0.00 32.58 31.01 1ozi s HIS 65 CO 0.02 0.27 1.71 -1.59 -2.47 0.00 0.00 174.74 172.68 1ozi s LYS 66 N -3.75 4.18 0.00 2.88 -2.85 -1.26 -1.35 119.74 117.59 1ozi s LYS 66 Ca 0.31 2.43 0.00 0.00 -1.00 0.00 0.00 55.97 57.72 1ozi s LYS 66 Cb 0.05 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.28 1ozi s LYS 66 CO 0.13 -0.76 0.00 0.41 0.10 0.00 0.00 175.35 175.23 1ozi n GLY 67 N 4.05 2.24 3.77 0.59 0.00 0.69 -4.83 105.19 111.70 1ozi n GLY 67 Ca 0.16 0.00 -0.40 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 -1.12 6.55 -0.02 1.61 1.01 -0.45 -4.09 116.67 120.16 1ozi s ASP 68 Ca 0.00 2.64 -0.00 0.00 0.71 0.00 0.00 52.55 55.90 1ozi s ASP 68 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1ozi s ASP 68 CO 0.00 -0.68 0.03 -0.13 0.21 0.00 0.00 175.17 174.60 1ozi s ARG 69 N -2.03 2.93 -0.22 8.23 0.52 -0.92 -0.41 118.95 127.05 1ozi s ARG 69 Ca 0.53 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.17 1ozi s ARG 69 Cb -0.38 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 1ozi s ARG 69 CO 0.50 0.65 0.02 0.08 0.02 0.00 0.00 175.30 176.57 1ozi s VAL 70 N -1.07 4.04 -0.21 3.52 1.01 0.16 -1.32 120.40 126.52 1ozi s VAL 70 Ca 0.19 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1ozi s VAL 70 Cb -0.12 -2.85 -0.22 0.00 0.00 0.00 0.00 36.38 33.20 1ozi s VAL 70 CO 0.09 0.40 -0.00 0.18 0.00 0.00 0.00 175.10 175.77 1ozi n LEU 71 N 4.47 1.16 -3.58 3.92 4.77 0.15 -0.42 117.00 127.47 1ozi n LEU 71 Ca -0.17 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1ozi n LEU 71 Cb 0.52 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1ozi n LEU 71 CO 0.31 0.66 0.45 0.00 -1.33 0.00 0.00 177.39 177.48 1ozi s ALA 72 N -2.51 -1.49 -0.27 -1.18 0.00 -0.40 -0.13 121.76 115.79 1ozi s ALA 72 Ca -0.19 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1ozi s ALA 72 Cb 0.07 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1ozi s ALA 72 CO 0.75 -0.87 0.01 0.08 0.00 0.00 0.00 175.76 175.73 1ozi s VAL 73 N -3.75 3.48 -1.63 0.00 1.01 0.06 0.00 120.40 119.56 1ozi s VAL 73 Ca 0.05 -0.81 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1ozi s VAL 73 Cb -0.03 -2.76 0.15 0.00 0.00 0.00 0.00 36.38 33.74 1ozi s VAL 73 CO -0.06 0.16 0.76 0.59 0.00 0.00 0.00 175.10 176.55 1ozi n ASN 74 N 4.78 -3.39 0.00 3.32 3.02 0.34 -0.16 115.26 123.16 1ozi n ASN 74 Ca -0.16 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1ozi n ASN 74 Cb 0.48 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ozi n GLY 75 N -1.35 2.97 3.61 7.41 0.00 -1.26 -5.01 105.19 111.56 1ozi n GLY 75 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.37 4.42 0.24 1.61 1.01 0.77 -4.96 120.40 121.11 1ozi s VAL 76 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1ozi s VAL 76 Cb 0.00 -4.47 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 1ozi s VAL 76 CO 0.00 -0.72 1.50 -0.44 0.00 0.00 0.00 175.10 175.43 1ozi s SER 77 N 2.06 6.59 -0.11 3.32 0.01 -1.26 -0.76 113.70 123.55 1ozi s SER 77 Ca 0.44 2.70 0.15 0.00 1.31 0.00 0.00 55.95 60.55 1ozi s SER 77 Cb -0.10 -2.62 0.53 0.00 0.21 0.00 0.00 66.02 64.05 1ozi s SER 77 CO 0.23 -0.77 1.45 0.18 0.41 0.00 0.00 173.24 174.75 1ozi n LEU 78 N 2.70 3.95 -4.55 2.44 4.77 0.82 -4.88 117.00 122.25 1ozi n LEU 78 Ca 0.09 -2.55 -0.36 0.00 -0.03 0.00 0.00 56.01 53.16 1ozi n LEU 78 Cb 0.39 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1ozi n LEU 78 CO 0.61 0.73 1.50 -1.61 -1.33 0.00 0.00 177.39 177.29 1ozi s GLU 79 N -2.00 2.71 0.00 3.23 2.02 -1.24 -0.78 118.70 122.64 1ozi s GLU 79 Ca 0.40 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1ozi s GLU 79 Cb 0.28 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1ozi s GLU 79 CO 0.16 -2.79 0.00 0.41 0.02 0.00 0.00 175.26 173.06 1ozi n GLY 80 N 5.95 1.21 3.81 -1.39 0.00 -1.26 -4.99 105.19 108.52 1ozi n GLY 80 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 3.47 0.67 4.61 0.00 0.04 -5.07 121.76 123.48 1ozi s ALA 81 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 1ozi s ALA 81 Cb 0.00 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1ozi s ALA 81 CO 0.00 0.35 0.98 -0.08 0.00 0.00 0.00 175.76 177.00 1ozi s THR 82 N -1.38 2.77 0.18 0.00 -1.32 -1.26 -4.88 115.64 109.76 1ozi s THR 82 Ca 0.39 -0.16 -0.15 0.00 -1.21 0.00 0.00 61.69 60.56 1ozi s THR 82 Cb -0.18 -3.17 0.15 0.00 -1.51 0.00 0.00 72.50 67.79 1ozi s THR 82 CO 0.21 -0.18 1.65 -0.74 -2.21 0.00 0.00 174.62 173.36 1ozi h HIS 83 N -0.46 -0.24 -0.95 9.09 2.76 -1.96 -0.53 115.15 122.87 1ozi h HIS 83 Ca -0.45 0.04 0.14 0.00 -2.20 0.00 0.00 60.37 57.91 1ozi h HIS 83 Cb 1.29 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 30.35 1ozi h HIS 83 CO 0.39 -0.20 0.60 -0.22 -1.30 0.00 0.00 177.93 177.20 1ozi h LYS 84 N 0.01 0.79 0.09 5.26 3.64 -1.99 -0.29 116.57 124.08 1ozi h LYS 84 Ca 0.24 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1ozi h LYS 84 Cb 0.36 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1ozi h LYS 84 CO -0.49 0.52 -0.04 1.96 -2.27 0.00 0.00 179.45 179.13 1ozi h GLN 85 N 0.81 -0.11 0.23 1.90 1.08 -1.49 -1.74 115.11 115.79 1ozi h GLN 85 Ca 0.49 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.71 1ozi h GLN 85 Cb 0.67 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 1ozi h GLN 85 CO -0.25 0.36 -0.43 0.00 -0.95 0.00 0.00 178.83 177.55 1ozi h ALA 86 N 0.17 -0.83 -0.43 3.87 0.00 -0.85 -1.76 119.26 119.44 1ozi h ALA 86 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ozi h ALA 86 Cb 0.52 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ozi h ALA 86 CO 0.02 -1.03 0.03 0.28 0.00 0.00 0.00 179.25 178.55 1ozi h VAL 87 N -0.74 1.25 -0.01 0.00 2.07 -1.14 -1.17 116.25 116.52 1ozi h VAL 87 Ca -0.00 -0.98 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 1ozi h VAL 87 Cb 0.72 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1ozi h VAL 87 CO -0.18 0.33 -0.63 -0.33 0.02 0.00 0.00 177.57 176.78 1ozi h GLU 88 N 0.58 0.05 -0.33 1.57 5.08 -1.28 0.23 114.58 120.48 1ozi h GLU 88 Ca 0.12 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1ozi h GLU 88 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ozi h GLU 88 CO 0.02 0.66 -0.15 1.15 -1.00 0.00 0.00 179.01 179.69 1ozi h THR 89 N 0.04 1.29 0.00 1.13 2.02 -1.14 0.65 112.91 116.89 1ozi h THR 89 Ca -0.01 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1ozi h THR 89 Cb 1.12 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1ozi h THR 89 CO 0.08 0.41 0.00 0.25 0.37 0.00 0.00 175.52 176.63 1ozi h LEU 90 N 0.46 0.00 0.03 2.58 5.85 -0.77 -1.00 115.31 122.46 1ozi h LEU 90 Ca 0.08 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.47 1ozi h LEU 90 Cb 0.68 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1ozi h LEU 90 CO 0.05 0.00 -1.93 -1.14 -0.34 0.00 0.00 178.44 175.07 1ozi n ARG 91 N -2.79 0.68 0.11 1.25 0.63 0.78 -4.19 116.66 113.14 1ozi n ARG 91 Ca 0.03 0.24 0.13 0.00 -0.92 0.00 0.00 57.85 57.32 1ozi n ARG 91 Cb 0.39 -1.72 0.30 0.00 0.45 0.00 0.00 32.46 31.88 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1ozi h ASN 92 N 0.02 0.00 0.25 6.15 -1.24 -0.61 -3.35 115.58 116.79 1ozi h ASN 92 Ca -0.38 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.58 1ozi h ASN 92 Cb 2.05 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.07 1ozi h ASN 92 CO 0.06 0.02 -0.36 0.71 -1.29 0.00 0.00 177.43 176.58 1ozi h THR 93 N 0.00 0.00 0.00 -3.57 1.35 -1.35 -3.49 112.91 105.85 1ozi h THR 93 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ozi h THR 93 Cb 0.80 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1ozi h THR 93 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ozi n GLY 94 N -1.37 -0.53 0.16 5.82 0.00 -1.26 -4.96 105.19 103.04 1ozi n GLY 94 Ca -0.07 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 0.30 0.46 -4.84 1.61 4.15 -1.93 -3.41 115.11 111.44 1ozi h GLN 95 Ca 0.00 -0.33 -0.66 0.00 0.77 0.00 0.00 58.65 58.43 1ozi h GLN 95 Cb 0.00 0.05 -0.20 0.00 0.21 0.00 0.00 27.48 27.55 1ozi h GLN 95 CO 0.00 0.95 -0.54 0.08 -1.93 0.00 0.00 178.83 177.39 1ozi s VAL 96 N -3.86 4.97 -0.02 2.39 1.01 -1.26 0.34 120.40 123.97 1ozi s VAL 96 Ca -0.13 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1ozi s VAL 96 Cb 0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ozi s VAL 96 CO 0.80 0.17 -0.11 -0.69 0.00 0.00 0.00 175.10 175.27 1ozi s VAL 97 N 1.70 3.33 -0.22 2.92 1.01 0.06 -4.95 120.40 124.25 1ozi s VAL 97 Ca 0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1ozi s VAL 97 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1ozi s VAL 97 CO 0.09 0.50 0.29 -1.00 0.00 0.00 0.00 175.10 174.98 1ozi s HIS 98 N -0.85 3.35 -0.07 5.22 3.76 -1.26 -0.46 115.29 124.97 1ozi s HIS 98 Ca 0.14 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 55.55 1ozi s HIS 98 Cb -0.11 -2.41 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1ozi s HIS 98 CO 0.03 0.03 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.55 1ozi s LEU 99 N 1.18 2.06 -0.36 0.89 2.96 0.18 0.13 118.68 125.71 1ozi s LEU 99 Ca 0.14 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.36 1ozi s LEU 99 Cb -0.14 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 1ozi s LEU 99 CO 0.06 0.20 0.45 -0.22 -1.32 0.00 0.00 176.35 175.52 1ozi s LEU 100 N 0.08 4.45 0.43 -0.68 0.20 0.10 -0.64 118.68 122.63 1ozi s LEU 100 Ca -0.10 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 54.58 1ozi s LEU 100 Cb -0.15 -2.47 -0.07 0.00 -0.43 0.00 0.00 46.19 43.07 1ozi s LEU 100 CO 0.06 -0.45 0.02 -0.76 -0.29 0.00 0.00 176.35 174.93 1ozi s LEU 101 N 2.23 2.80 -0.09 -0.68 1.02 0.66 0.34 118.68 124.96 1ozi s LEU 101 Ca 0.15 -1.40 0.00 0.00 0.02 0.00 0.00 54.13 52.91 1ozi s LEU 101 Cb -0.16 -0.90 0.02 0.00 0.02 0.00 0.00 46.19 45.17 1ozi s LEU 101 CO 0.13 -0.52 -0.06 -0.70 0.02 0.00 0.00 176.35 175.22 1ozi s GLU 102 N -3.75 1.26 0.12 1.70 2.12 -0.44 -0.86 118.70 118.84 1ozi s GLU 102 Ca 0.31 -0.18 -0.32 0.00 0.36 0.00 0.00 54.97 55.14 1ozi s GLU 102 Cb 0.08 -1.31 -0.12 0.00 0.26 0.00 0.00 34.13 33.04 1ozi s GLU 102 CO 0.16 -0.20 1.77 1.17 -0.54 0.00 0.00 175.26 177.62 1ozi n LYS 103 N 4.67 2.57 -0.55 4.30 3.00 -0.07 -2.17 118.16 129.90 1ozi n LYS 103 Ca -0.15 0.93 0.03 0.00 -0.00 0.00 0.00 58.31 59.12 1ozi n LYS 103 Cb 0.50 -2.79 0.21 0.00 0.00 0.00 0.00 35.03 32.96 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 4.03 4.61 3.63 3.14 0.00 -1.26 -2.38 105.19 116.97 1ozi n GLY 104 Ca 0.18 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.05 3.81 -0.19 1.61 -2.07 -1.26 -4.02 119.66 114.49 1ozi s GLN 105 Ca 0.41 1.70 0.01 0.00 -1.82 0.00 0.00 55.36 55.66 1ozi s GLN 105 Cb 0.36 -4.04 0.04 0.00 -1.09 0.00 0.00 33.01 28.28 1ozi s GLN 105 CO 0.03 -1.28 -0.12 0.08 -1.32 0.00 0.00 175.29 172.68 1ozi s VAL 106 N 5.17 1.70 -2.00 3.63 1.01 -1.26 -4.83 120.40 123.82 1ozi s VAL 106 Ca 0.72 -0.96 0.29 0.00 0.00 0.00 0.00 61.98 62.04 1ozi s VAL 106 Cb -0.25 -1.71 0.84 0.00 0.00 0.00 0.00 36.38 35.25 1ozi s VAL 106 CO 0.29 0.25 2.09 -2.65 0.00 0.00 0.00 175.10 175.09