#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 0.56 -1.09 1.97 -0.02 -1.26 -1.85 135.00 133.30 1ozi n PRO 10 Ca 0.00 -0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1ozi n PRO 10 Cb 0.00 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.03 0.15 3.84 -1.23 0.00 -1.23 -3.13 105.19 105.61 1ozi n GLY 11 Ca 0.05 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 6.86 -0.21 1.61 2.15 -0.77 -4.59 116.67 121.19 1ozi s ASP 12 Ca 0.01 1.09 -0.17 0.00 0.43 0.00 0.00 52.55 53.91 1ozi s ASP 12 Cb 0.06 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 1ozi s ASP 12 CO -0.02 0.15 0.45 0.42 -0.17 0.00 0.00 175.17 176.00 1ozi s THR 13 N -1.37 5.16 0.03 1.71 -4.23 -1.26 -0.64 115.64 115.04 1ozi s THR 13 Ca 0.35 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1ozi s THR 13 Cb -0.16 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 1ozi s THR 13 CO 0.19 0.21 -0.00 0.72 -0.54 0.00 0.00 174.62 175.20 1ozi s PHE 14 N 1.50 0.28 -0.64 3.99 -0.12 0.84 -4.98 117.98 118.85 1ozi s PHE 14 Ca 0.21 -0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 56.46 1ozi s PHE 14 Cb -0.15 -0.21 0.17 0.00 -0.63 0.00 0.00 43.02 42.20 1ozi s PHE 14 CO 0.09 -0.25 0.47 -1.21 -0.05 0.00 0.00 175.22 174.27 1ozi s GLU 15 N -1.98 2.66 0.23 1.99 2.02 -1.26 0.03 118.70 122.40 1ozi s GLU 15 Ca -0.11 -2.49 -0.30 0.00 0.02 0.00 0.00 54.97 52.10 1ozi s GLU 15 Cb -0.06 -3.81 -0.09 0.00 0.10 0.00 0.00 34.13 30.27 1ozi s GLU 15 CO -0.03 -1.18 1.23 0.54 0.02 0.00 0.00 175.26 175.84 1ozi s VAL 16 N 0.03 3.30 -0.76 2.63 0.11 0.36 -4.69 120.40 121.37 1ozi s VAL 16 Ca 0.16 1.15 -0.17 0.00 -2.93 0.00 0.00 61.98 60.20 1ozi s VAL 16 Cb -0.19 -3.73 0.16 0.00 -1.53 0.00 0.00 36.38 31.08 1ozi s VAL 16 CO -0.04 0.21 0.81 -1.61 -3.33 0.00 0.00 175.10 171.14 1ozi s GLU 17 N -0.68 3.40 -0.32 1.54 2.02 -1.26 0.06 118.70 123.46 1ozi s GLU 17 Ca 0.52 -1.93 -0.14 0.00 0.02 0.00 0.00 54.97 53.44 1ozi s GLU 17 Cb -0.35 -4.49 -0.02 0.00 0.10 0.00 0.00 34.13 29.37 1ozi s GLU 17 CO 0.41 -1.48 0.33 -1.17 0.02 0.00 0.00 175.26 173.37 1ozi s LEU 18 N 1.56 4.31 -0.16 1.80 1.98 0.14 -4.91 118.68 123.39 1ozi s LEU 18 Ca 0.18 -0.12 -0.12 0.00 -2.89 0.00 0.00 54.13 51.18 1ozi s LEU 18 Cb -0.14 -2.30 -0.05 0.00 0.66 0.00 0.00 46.19 44.35 1ozi s LEU 18 CO -0.04 -0.26 0.23 0.00 -1.89 0.00 0.00 176.35 174.39 1ozi s ALA 19 N 1.96 3.65 0.03 5.97 0.00 -1.26 -0.62 121.76 131.49 1ozi s ALA 19 Ca 0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1ozi s ALA 19 Cb -0.16 -2.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1ozi s ALA 19 CO 0.11 0.18 1.58 0.15 0.00 0.00 0.00 175.76 177.78 1ozi s LYS 20 N 0.23 4.22 -0.01 0.00 3.01 0.16 -4.68 119.74 122.68 1ozi s LYS 20 Ca 0.14 2.20 0.08 0.00 -1.01 0.00 0.00 55.97 57.38 1ozi s LYS 20 Cb -0.12 -3.66 0.22 0.00 -1.01 0.00 0.00 37.83 33.26 1ozi s LYS 20 CO 0.02 -0.71 1.18 -2.37 0.51 0.00 0.00 175.35 173.99 1ozi n THR 21 N 4.83 1.07 -1.49 2.17 5.66 -1.26 -4.88 114.28 120.37 1ozi n THR 21 Ca 0.15 -1.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 1ozi n THR 21 Cb 0.42 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1ozi n THR 21 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ozi n ASP 22 N 0.13 0.00 -1.28 1.09 2.03 -1.26 -5.02 116.55 112.23 1ozi n ASP 22 Ca 0.08 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.48 1ozi n ASP 22 Cb 0.39 0.00 0.30 0.00 -0.72 0.00 0.00 41.12 41.10 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ozi n GLY 23 N 0.00 3.08 3.22 0.27 0.00 -1.26 -4.95 105.19 105.56 1ozi n GLY 23 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.16 0.20 0.77 1.61 0.15 -1.26 -4.98 113.70 109.03 1ozi s SER 24 Ca 0.44 -1.11 -0.07 0.00 0.70 0.00 0.00 55.95 55.91 1ozi s SER 24 Cb 0.30 0.35 0.11 0.00 -1.71 0.00 0.00 66.02 65.07 1ozi s SER 24 CO 0.19 -0.80 1.08 -0.76 1.20 0.00 0.00 173.24 174.15 1ozi s LEU 25 N -3.03 2.83 -0.33 3.45 1.43 -1.26 -4.20 118.68 117.58 1ozi s LEU 25 Ca 0.23 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1ozi s LEU 25 Cb 0.06 -2.65 0.39 0.00 0.03 0.00 0.00 46.19 44.02 1ozi s LEU 25 CO 0.02 -1.93 1.71 0.61 0.23 0.00 0.00 176.35 176.99 1ozi n GLY 26 N -3.10 3.89 2.92 -3.19 0.00 -1.26 -4.83 105.19 99.62 1ozi n GLY 26 Ca 0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.38 0.09 -0.20 -0.61 -4.36 -1.26 -0.71 121.20 111.77 1ozi s ILE 27 Ca 0.38 -0.34 -0.08 0.00 -0.26 0.00 0.00 60.65 60.35 1ozi s ILE 27 Cb 0.31 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.84 1ozi s ILE 27 CO 0.05 -0.15 0.08 -0.55 0.24 0.00 0.00 174.94 174.61 1ozi s SER 28 N -0.51 5.71 0.12 4.36 0.15 0.88 -4.68 113.70 119.73 1ozi s SER 28 Ca -0.05 0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.76 1ozi s SER 28 Cb -0.04 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1ozi s SER 28 CO -0.00 0.14 -0.20 0.68 1.20 0.00 0.00 173.24 175.05 1ozi s VAL 29 N 0.58 1.74 0.32 4.45 -7.23 -1.26 0.12 120.40 119.12 1ozi s VAL 29 Ca 0.04 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1ozi s VAL 29 Cb -0.13 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1ozi s VAL 29 CO 0.01 -0.12 0.13 0.28 -0.31 0.00 0.00 175.10 175.09 1ozi s THR 30 N -1.37 0.56 -0.16 5.32 -1.32 0.16 -4.81 115.64 114.02 1ozi s THR 30 Ca 0.09 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.35 1ozi s THR 30 Cb -0.09 -2.55 -0.23 0.00 -1.51 0.00 0.00 72.50 68.12 1ozi s THR 30 CO 0.05 0.00 0.45 1.62 -2.21 0.00 0.00 174.62 174.53 1ozi h VAL 31 N 2.15 1.17 -4.08 5.08 3.04 -1.84 0.25 116.25 122.02 1ozi h VAL 31 Ca -0.36 -2.28 -0.69 0.00 -1.01 0.00 0.00 66.70 62.36 1ozi h VAL 31 Cb 1.25 2.66 -0.24 0.00 -2.01 0.00 0.00 31.29 32.95 1ozi h VAL 31 CO 0.57 0.50 -0.87 -1.48 -1.01 0.00 0.00 177.57 175.28 1ozi s LEU 32 N -7.86 2.25 -0.29 3.16 0.05 -1.26 -3.84 118.68 110.88 1ozi s LEU 32 Ca -0.24 -0.68 -0.01 0.00 0.05 0.00 0.00 54.13 53.26 1ozi s LEU 32 Cb 0.03 -1.24 0.13 0.00 -2.05 0.00 0.00 46.19 43.06 1ozi s LEU 32 CO 0.67 0.21 0.28 -0.36 -0.55 0.00 0.00 176.35 176.60 1ozi s PHE 33 N -0.95 -0.37 -0.28 3.48 0.40 -1.26 -4.94 117.98 114.06 1ozi s PHE 33 Ca 0.13 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1ozi s PHE 33 Cb -0.10 -0.51 0.07 0.00 0.51 0.00 0.00 43.02 42.98 1ozi s PHE 33 CO 0.04 -0.91 -0.07 0.34 0.70 0.00 0.00 175.22 175.32 1ozi s ASP 34 N 2.31 4.54 -0.32 1.36 -1.08 -1.26 -4.87 116.67 117.35 1ozi s ASP 34 Ca 0.09 -1.52 0.08 0.00 -0.52 0.00 0.00 52.55 50.68 1ozi s ASP 34 Cb -0.14 -1.58 0.51 0.00 -1.46 0.00 0.00 42.92 40.25 1ozi s ASP 34 CO -0.33 -0.23 1.49 0.29 0.52 0.00 0.00 175.17 176.91 1ozi n LYS 35 N 4.42 2.08 -0.12 4.34 4.76 -1.26 -4.53 118.16 127.85 1ozi n LYS 35 Ca -0.11 -3.30 -0.18 0.00 -2.87 0.00 0.00 58.31 51.85 1ozi n LYS 35 Cb 0.42 -1.91 -0.12 0.00 -1.84 0.00 0.00 35.03 31.58 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 36 N -1.08 -0.42 5.59 0.72 0.00 -1.26 -5.00 105.19 103.76 1ozi n GLY 36 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.20 1.43 0.18 -0.02 0.00 -1.26 -2.78 105.19 104.95 1ozi n GLY 37 Ca -0.44 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1ozi n GLY 37 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ozi h VAL 38 N 0.00 1.33 -3.10 1.61 2.07 -2.00 -3.42 116.25 112.73 1ozi h VAL 38 Ca 0.00 -1.50 -0.59 0.00 0.82 0.00 0.00 66.70 65.43 1ozi h VAL 38 Cb 0.00 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1ozi h VAL 38 CO 0.00 0.46 -0.22 0.54 0.02 0.00 0.00 177.57 178.37 1ozi s ASN 39 N -6.47 6.70 -0.03 0.57 4.22 -1.12 -5.06 114.94 113.75 1ozi s ASN 39 Ca -0.13 0.86 -0.13 0.00 -2.14 0.00 0.00 52.86 51.32 1ozi s ASN 39 Cb 0.07 -2.21 -0.05 0.00 1.28 0.00 0.00 41.25 40.34 1ozi s ASN 39 CO 0.81 0.20 0.35 0.42 -2.04 0.00 0.00 177.10 176.85 1ozi s THR 40 N -1.32 5.13 -0.61 0.54 -4.23 -1.26 -4.06 115.64 109.83 1ozi s THR 40 Ca 0.31 0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 61.25 1ozi s THR 40 Cb -0.15 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1ozi s THR 40 CO 0.17 0.58 1.27 -0.44 -0.54 0.00 0.00 174.62 175.66 1ozi s SER 41 N -1.01 6.31 1.16 3.99 0.01 -1.26 -4.99 113.70 117.91 1ozi s SER 41 Ca 0.22 0.04 -0.14 0.00 1.31 0.00 0.00 55.95 57.38 1ozi s SER 41 Cb -0.16 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.73 1ozi s SER 41 CO 0.11 -1.61 0.76 1.33 0.41 0.00 0.00 173.24 174.23 1ozi n VAL 42 N 6.67 0.00 -2.10 3.43 0.24 -1.26 -4.84 118.33 120.46 1ozi n VAL 42 Ca 0.08 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.34 61.75 1ozi n VAL 42 Cb 0.49 -1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 31.62 1ozi n VAL 42 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1ozi s ARG 43 N -4.71 2.64 -0.35 7.34 3.52 -1.26 -4.79 118.95 121.34 1ozi s ARG 43 Ca 0.49 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 1ozi s ARG 43 Cb -0.05 -5.14 0.12 0.00 -1.56 0.00 0.00 34.95 28.33 1ozi s ARG 43 CO 0.37 -3.43 0.18 -1.58 -0.81 0.00 0.00 175.30 170.03 1ozi s HIS 44 N 9.86 1.05 0.00 5.12 2.46 -1.26 -4.96 115.29 127.56 1ozi s HIS 44 Ca 0.68 -1.62 0.00 0.00 0.47 0.00 0.00 55.06 54.59 1ozi s HIS 44 Cb -0.05 -1.25 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 1ozi s HIS 44 CO 0.02 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.87 1ozi n GLY 45 N 4.39 1.09 0.00 1.59 0.00 -1.26 -4.84 105.19 106.16 1ozi n GLY 45 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 3.40 3.31 -0.02 0.00 -1.16 -2.95 105.19 107.77 1ozi n GLY 46 Ca 0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.09 1.85 -0.01 -0.61 -1.09 -0.96 -4.55 121.20 115.72 1ozi s ILE 47 Ca 0.00 -1.55 0.04 0.00 -2.23 0.00 0.00 60.65 56.91 1ozi s ILE 47 Cb 0.00 -1.66 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1ozi s ILE 47 CO 0.00 0.02 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.29 1ozi s TYR 48 N -1.09 1.15 -0.36 3.97 1.51 0.86 -0.20 117.35 123.20 1ozi s TYR 48 Ca 0.08 -0.23 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1ozi s TYR 48 Cb -0.10 -0.75 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1ozi s TYR 48 CO 0.04 -0.03 1.54 0.08 -1.11 0.00 0.00 175.55 176.07 1ozi s VAL 49 N -0.23 3.77 0.05 0.71 1.01 0.01 -0.66 120.40 125.05 1ozi s VAL 49 Ca 0.04 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 1ozi s VAL 49 Cb -0.06 -3.98 -0.31 0.00 0.00 0.00 0.00 36.38 32.03 1ozi s VAL 49 CO -0.00 -0.59 1.08 0.50 0.00 0.00 0.00 175.10 176.09 1ozi h LYS 50 N 11.27 0.60 -2.44 2.72 3.64 -0.63 0.16 116.57 131.89 1ozi h LYS 50 Ca -0.30 -0.85 0.16 0.00 -1.27 0.00 0.00 60.65 58.39 1ozi h LYS 50 Cb 1.13 0.29 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 1ozi h LYS 50 CO 1.06 1.39 0.45 0.00 -2.27 0.00 0.00 179.45 180.08 1ozi s ALA 51 N -2.88 -1.58 -0.32 5.00 0.00 -0.78 -4.62 121.76 116.56 1ozi s ALA 51 Ca -0.09 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 1ozi s ALA 51 Cb 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1ozi s ALA 51 CO 0.94 -1.05 0.19 0.42 0.00 0.00 0.00 175.76 176.26 1ozi s ILE 52 N -3.32 4.87 -0.06 0.00 -1.09 -1.26 -0.09 121.20 120.25 1ozi s ILE 52 Ca 0.13 -0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 1ozi s ILE 52 Cb -0.02 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1ozi s ILE 52 CO 0.03 0.03 1.21 -0.63 -1.23 0.00 0.00 174.94 174.36 1ozi s ILE 53 N 1.65 4.24 -1.20 2.92 -1.09 0.11 -4.86 121.20 122.98 1ozi s ILE 53 Ca 0.05 1.56 -0.20 0.00 -2.23 0.00 0.00 60.65 59.83 1ozi s ILE 53 Cb -0.17 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1ozi s ILE 53 CO 0.08 -0.01 1.90 -2.65 -1.23 0.00 0.00 174.94 173.02 1ozi n PRO 54 N 5.32 2.27 -0.11 2.79 -0.02 -1.26 -4.07 135.00 139.92 1ozi n PRO 54 Ca 0.11 -2.67 0.01 0.00 -2.02 0.00 0.00 63.50 58.92 1ozi n PRO 54 Cb 0.46 -3.49 0.01 0.00 -0.02 0.00 0.00 33.50 30.46 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 7.90 0.48 0.00 -0.52 4.76 -1.26 -5.12 118.16 124.40 1ozi n LYS 55 Ca 0.48 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 1ozi n LYS 55 Cb 0.45 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 -0.14 0.45 5.95 0.72 0.00 -1.26 -4.85 105.19 106.05 1ozi n GLY 56 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 6.98 0.00 0.09 4.61 0.00 -1.26 -2.33 120.51 128.59 1ozi n ALA 57 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 -0.62 0.63 -0.14 0.00 0.00 -1.88 0.32 119.26 117.56 1ozi h ALA 58 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 54.91 54.01 1ozi h ALA 58 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ozi h ALA 58 CO 0.00 0.89 -0.78 1.49 0.00 0.00 0.00 179.25 180.85 1ozi h GLU 59 N 0.10 0.74 -0.12 0.00 4.81 -1.68 0.13 114.58 118.56 1ozi h GLU 59 Ca -0.03 -0.61 -0.20 0.00 -0.13 0.00 0.00 59.36 58.39 1ozi h GLU 59 Cb 1.40 0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.92 1ozi h GLU 59 CO 0.12 1.22 -0.71 0.77 -0.73 0.00 0.00 179.01 179.68 1ozi h SER 60 N 0.50 0.83 0.34 1.04 0.02 -1.63 -2.65 113.55 112.00 1ozi h SER 60 Ca -0.05 -0.65 -0.10 0.00 -0.84 0.00 0.00 61.79 60.15 1ozi h SER 60 Cb 1.40 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1ozi h SER 60 CO 0.16 1.35 -0.42 -0.78 -1.14 0.00 0.00 176.83 176.00 1ozi h ASP 61 N 0.37 0.12 -2.65 3.07 1.82 -1.01 -3.47 116.42 114.67 1ozi h ASP 61 Ca -0.05 -0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 56.30 1ozi h ASP 61 Cb 1.35 -0.03 0.03 0.00 0.68 0.00 0.00 39.33 41.36 1ozi h ASP 61 CO 0.15 0.53 -0.35 0.61 -1.61 0.00 0.00 179.24 178.56 1ozi n GLY 62 N -0.25 -0.04 0.12 -0.78 0.00 0.39 -4.92 105.19 99.70 1ozi n GLY 62 Ca -0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 1ozi n GLY 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ozi n ARG 63 N -2.59 0.67 -3.65 1.61 3.00 -0.90 -4.95 116.66 109.86 1ozi n ARG 63 Ca -0.08 0.11 -0.37 0.00 -0.00 0.00 0.00 57.85 57.51 1ozi n ARG 63 Cb 0.58 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.49 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ozi s ILE 64 N -2.48 5.26 0.25 5.15 -1.09 -1.22 -5.08 121.20 121.98 1ozi s ILE 64 Ca -0.28 0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.78 1ozi s ILE 64 Cb 0.08 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1ozi s ILE 64 CO 0.61 0.56 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.75 1ozi s HIS 65 N -0.77 1.95 0.20 3.97 3.76 -1.26 -4.78 115.29 118.37 1ozi s HIS 65 Ca 0.19 -0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 1ozi s HIS 65 Cb -0.14 -0.97 -0.08 0.00 1.11 0.00 0.00 32.58 32.50 1ozi s HIS 65 CO 0.08 0.43 1.06 -1.59 -0.85 0.00 0.00 174.74 173.87 1ozi s LYS 66 N -3.64 4.65 0.00 1.40 -2.85 -1.26 -2.69 119.74 115.35 1ozi s LYS 66 Ca 0.27 1.67 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 1ozi s LYS 66 Cb -0.00 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 1ozi s LYS 66 CO 0.11 0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.15 1ozi n GLY 67 N 1.80 0.55 3.77 0.59 0.00 0.56 -4.93 105.19 107.53 1ozi n GLY 67 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.96 6.41 -0.20 1.61 1.01 -1.10 -3.99 116.67 118.46 1ozi s ASP 68 Ca 0.00 2.50 -0.15 0.00 0.71 0.00 0.00 52.55 55.60 1ozi s ASP 68 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1ozi s ASP 68 CO 0.00 -0.77 0.36 -0.13 0.21 0.00 0.00 175.17 174.85 1ozi s ARG 69 N -2.27 4.18 -0.48 8.23 0.52 0.06 -0.81 118.95 128.38 1ozi s ARG 69 Ca 0.57 0.15 -0.19 0.00 -0.52 0.00 0.00 55.73 55.74 1ozi s ARG 69 Cb -0.34 -3.52 0.05 0.00 0.52 0.00 0.00 34.95 31.65 1ozi s ARG 69 CO 0.44 0.01 0.60 0.08 0.02 0.00 0.00 175.30 176.45 1ozi s VAL 70 N 1.16 4.90 0.00 3.52 1.01 0.73 -0.33 120.40 131.39 1ozi s VAL 70 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ozi s VAL 70 Cb -0.14 -4.25 -0.28 0.00 0.00 0.00 0.00 36.38 31.71 1ozi s VAL 70 CO 0.07 -0.72 0.84 -0.07 0.00 0.00 0.00 175.10 175.22 1ozi h LEU 71 N 9.61 0.39 -7.69 3.92 3.38 -0.67 -2.53 115.31 121.72 1ozi h LEU 71 Ca -0.27 -0.55 0.18 0.00 0.09 0.00 0.00 57.88 57.33 1ozi h LEU 71 Cb 1.10 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1ozi h LEU 71 CO 0.93 1.46 0.50 0.00 0.09 0.00 0.00 178.44 181.41 1ozi s ALA 72 N -2.61 -1.64 -0.39 1.53 0.00 -0.60 -2.11 121.76 115.92 1ozi s ALA 72 Ca -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1ozi s ALA 72 Cb 0.07 0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.92 1ozi s ALA 72 CO 0.85 -1.05 0.18 0.08 0.00 0.00 0.00 175.76 175.83 1ozi s VAL 73 N -3.17 3.50 -0.79 0.00 1.01 0.19 0.19 120.40 121.34 1ozi s VAL 73 Ca 0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 61.98 60.34 1ozi s VAL 73 Cb -0.01 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1ozi s VAL 73 CO 0.03 -0.53 0.59 -0.46 0.00 0.00 0.00 175.10 174.72 1ozi n ASN 74 N 4.69 -4.68 0.00 3.32 6.94 0.21 -1.13 115.26 124.60 1ozi n ASN 74 Ca -0.06 -0.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 1ozi n ASN 74 Cb 0.42 -1.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.30 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ozi n GLY 75 N -1.53 2.28 3.58 4.83 0.00 -1.26 -4.95 105.19 108.14 1ozi n GLY 75 Ca -0.31 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.33 4.20 0.34 1.61 1.01 -0.29 -4.98 120.40 121.96 1ozi s VAL 76 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1ozi s VAL 76 Cb 0.00 -4.61 -0.11 0.00 0.00 0.00 0.00 36.38 31.66 1ozi s VAL 76 CO 0.00 -1.10 1.42 -0.94 0.00 0.00 0.00 175.10 174.48 1ozi s SER 77 N 2.63 6.53 -0.36 3.32 1.04 -1.26 -0.64 113.70 124.96 1ozi s SER 77 Ca 0.43 2.88 0.08 0.00 0.48 0.00 0.00 55.95 59.81 1ozi s SER 77 Cb -0.08 -2.65 0.64 0.00 0.10 0.00 0.00 66.02 64.03 1ozi s SER 77 CO 0.28 -0.74 1.75 0.18 0.98 0.00 0.00 173.24 175.69 1ozi n LEU 78 N 0.88 5.74 -0.28 2.42 4.77 -0.90 -4.68 117.00 124.95 1ozi n LEU 78 Ca 0.02 -3.50 0.26 0.00 -0.03 0.00 0.00 56.01 52.76 1ozi n LEU 78 Cb 0.40 -0.74 0.61 0.00 -2.33 0.00 0.00 43.42 41.36 1ozi n LEU 78 CO 0.62 1.01 1.25 1.05 -1.33 0.00 0.00 177.39 179.99 1ozi h GLU 79 N 1.53 0.22 -0.92 3.23 4.11 -1.73 -1.56 114.58 119.45 1ozi h GLU 79 Ca 0.39 -0.01 -0.39 0.00 0.07 0.00 0.00 59.36 59.41 1ozi h GLU 79 Cb 2.33 -0.05 -0.41 0.00 0.50 0.00 0.00 28.75 31.13 1ozi h GLU 79 CO 0.77 0.14 -1.04 0.41 0.07 0.00 0.00 179.01 179.36 1ozi n GLY 80 N -1.60 3.03 3.78 1.06 0.00 -1.26 -4.79 105.19 105.41 1ozi n GLY 80 Ca 0.23 -1.68 -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 -3.44 3.53 0.25 4.61 0.00 -0.59 -5.12 121.76 121.00 1ozi s ALA 81 Ca 0.34 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ozi s ALA 81 Cb 0.41 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1ozi s ALA 81 CO -0.03 0.50 0.35 -0.08 0.00 0.00 0.00 175.76 176.51 1ozi s THR 82 N -1.75 5.05 0.19 0.00 -1.32 -1.26 -4.83 115.64 111.73 1ozi s THR 82 Ca 0.31 -1.04 -0.13 0.00 -1.21 0.00 0.00 61.69 59.62 1ozi s THR 82 Cb -0.10 -3.76 0.15 0.00 -1.51 0.00 0.00 72.50 67.28 1ozi s THR 82 CO 0.23 -0.32 1.68 1.12 -2.21 0.00 0.00 174.62 175.12 1ozi h HIS 83 N 1.18 -0.01 -0.01 9.09 2.07 -1.90 -1.56 115.15 124.00 1ozi h HIS 83 Ca -0.51 0.04 -0.08 0.00 -2.85 0.00 0.00 60.37 56.97 1ozi h HIS 83 Cb 1.23 0.09 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 1ozi h HIS 83 CO 0.46 -0.12 -0.37 1.57 -3.07 0.00 0.00 177.93 176.41 1ozi h LYS 84 N 0.13 0.03 -0.08 5.12 2.10 -1.96 -2.09 116.57 119.81 1ozi h LYS 84 Ca 0.27 -0.01 -0.21 0.00 -2.00 0.00 0.00 60.65 58.71 1ozi h LYS 84 Cb 0.42 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1ozi h LYS 84 CO -0.44 0.39 -0.79 -0.56 -2.00 0.00 0.00 179.45 176.05 1ozi h GLN 85 N 0.03 0.52 -0.42 0.07 -0.00 -1.72 -0.44 115.11 113.15 1ozi h GLN 85 Ca 0.00 -0.45 0.04 0.00 -0.00 0.00 0.00 58.65 58.23 1ozi h GLN 85 Cb 0.66 0.10 -0.04 0.00 -0.00 0.00 0.00 27.48 28.21 1ozi h GLN 85 CO 0.05 1.08 0.20 0.00 -0.00 0.00 0.00 178.83 180.17 1ozi h ALA 86 N 0.78 0.52 -0.16 0.06 0.00 -0.94 0.89 119.26 120.42 1ozi h ALA 86 Ca -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ozi h ALA 86 Cb 1.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ozi h ALA 86 CO 0.14 -0.16 -0.26 0.28 0.00 0.00 0.00 179.25 179.26 1ozi h VAL 87 N 0.41 1.25 0.00 0.00 2.07 -1.15 -1.06 116.25 117.76 1ozi h VAL 87 Ca 0.18 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 1ozi h VAL 87 Cb 0.10 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ozi h VAL 87 CO -0.14 0.36 -0.43 -0.33 0.02 0.00 0.00 177.57 177.05 1ozi h GLU 88 N 0.26 0.00 0.00 1.57 5.08 -0.28 -0.88 114.58 120.33 1ozi h GLU 88 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1ozi h GLU 88 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ozi h GLU 88 CO 0.04 0.43 -0.49 1.15 -1.00 0.00 0.00 179.01 179.14 1ozi h THR 89 N 0.00 1.04 0.00 1.13 2.02 0.14 0.15 112.91 117.40 1ozi h THR 89 Ca -0.00 -1.90 -0.10 0.00 0.77 0.00 0.00 66.41 65.18 1ozi h THR 89 Cb 0.99 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 1ozi h THR 89 CO 0.06 0.48 -0.47 -0.07 0.37 0.00 0.00 175.52 175.88 1ozi h LEU 90 N 0.00 0.00 0.00 2.58 3.38 -0.20 -1.10 115.31 119.97 1ozi h LEU 90 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1ozi h LEU 90 Cb 1.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1ozi h LEU 90 CO 0.06 0.47 -1.19 -0.09 0.09 0.00 0.00 178.44 177.79 1ozi h ARG 91 N 0.00 0.00 -0.29 1.13 2.43 -0.79 -3.20 114.38 113.65 1ozi h ARG 91 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1ozi h ARG 91 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1ozi h ARG 91 CO 0.06 0.69 -0.22 -0.97 -1.51 0.00 0.00 179.97 178.02 1ozi h ASN 92 N 0.00 0.55 0.15 -3.80 -0.73 -0.32 -3.29 115.58 108.14 1ozi h ASN 92 Ca -0.11 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 57.87 1ozi h ASN 92 Cb 1.76 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.21 1ozi h ASN 92 CO 0.10 0.77 -0.07 0.71 -0.37 0.00 0.00 177.43 178.57 1ozi h THR 93 N 0.49 0.00 0.00 -3.57 1.35 -1.30 -3.51 112.91 106.37 1ozi h THR 93 Ca 0.08 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1ozi h THR 93 Cb 0.65 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1ozi h THR 93 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1ozi n GLY 94 N 0.66 0.39 0.09 5.82 0.00 -1.21 -4.90 105.19 106.05 1ozi n GLY 94 Ca -0.02 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.09 -5.15 1.61 4.15 -1.92 -3.43 115.11 110.28 1ozi h GLN 95 Ca 0.00 0.01 -0.64 0.00 0.77 0.00 0.00 58.65 58.78 1ozi h GLN 95 Cb 0.00 0.02 -0.23 0.00 0.21 0.00 0.00 27.48 27.48 1ozi h GLN 95 CO 0.00 0.37 -0.67 0.54 -1.93 0.00 0.00 178.83 177.14 1ozi s VAL 96 N -4.17 3.88 -0.16 2.39 0.11 -1.26 0.38 120.40 121.56 1ozi s VAL 96 Ca -0.15 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 1ozi s VAL 96 Cb 0.01 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1ozi s VAL 96 CO 0.62 0.44 -0.10 -0.69 -3.33 0.00 0.00 175.10 172.05 1ozi s VAL 97 N 0.89 3.19 -0.17 2.04 1.01 0.21 -4.96 120.40 122.62 1ozi s VAL 97 Ca 0.01 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1ozi s VAL 97 Cb -0.14 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ozi s VAL 97 CO 0.02 0.49 0.58 -1.00 0.00 0.00 0.00 175.10 175.19 1ozi s HIS 98 N 0.77 3.42 -0.04 5.22 3.76 -1.25 0.25 115.29 127.41 1ozi s HIS 98 Ca -0.04 0.92 0.05 0.00 -0.15 0.00 0.00 55.06 55.84 1ozi s HIS 98 Cb -0.15 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 1ozi s HIS 98 CO 0.01 -0.07 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.46 1ozi s LEU 99 N 1.49 1.99 -0.37 0.89 2.96 0.11 0.64 118.68 126.38 1ozi s LEU 99 Ca 0.28 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1ozi s LEU 99 Cb -0.16 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1ozi s LEU 99 CO 0.11 0.20 0.52 -0.22 -1.32 0.00 0.00 176.35 175.65 1ozi s LEU 100 N -0.13 4.44 0.30 -0.68 0.20 0.13 -0.49 118.68 122.44 1ozi s LEU 100 Ca -0.01 -0.17 0.06 0.00 0.69 0.00 0.00 54.13 54.71 1ozi s LEU 100 Cb -0.11 -2.58 -0.06 0.00 -0.43 0.00 0.00 46.19 43.01 1ozi s LEU 100 CO 0.02 -0.54 -0.04 -0.76 -0.29 0.00 0.00 176.35 174.74 1ozi s LEU 101 N 2.43 2.48 -0.04 -0.68 1.02 0.10 -0.01 118.68 123.99 1ozi s LEU 101 Ca 0.18 -1.23 0.03 0.00 0.02 0.00 0.00 54.13 53.13 1ozi s LEU 101 Cb -0.15 -0.65 0.01 0.00 0.02 0.00 0.00 46.19 45.42 1ozi s LEU 101 CO 0.14 -0.37 -0.10 -0.70 0.02 0.00 0.00 176.35 175.34 1ozi s GLU 102 N -3.74 1.19 0.06 1.70 2.12 0.55 -0.12 118.70 120.47 1ozi s GLU 102 Ca 0.31 -0.34 -0.33 0.00 0.36 0.00 0.00 54.97 54.96 1ozi s GLU 102 Cb 0.05 -1.07 -0.12 0.00 0.26 0.00 0.00 34.13 33.24 1ozi s GLU 102 CO 0.13 0.10 1.74 1.63 -0.54 0.00 0.00 175.26 178.32 1ozi n LYS 103 N 3.44 2.30 -3.19 4.30 4.76 0.19 -0.76 118.16 129.21 1ozi n LYS 103 Ca -0.20 0.84 -0.32 0.00 -2.87 0.00 0.00 58.31 55.76 1ozi n LYS 103 Cb 0.53 -2.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.02 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozi n GLY 104 N 3.95 5.13 0.00 0.72 0.00 -1.26 -3.48 105.19 110.25 1ozi n GLY 104 Ca 0.19 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.47 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ozi n GLN 105 N 0.75 4.00 -0.03 1.61 6.02 -1.18 -3.99 117.38 124.55 1ozi n GLN 105 Ca 0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1ozi n GLN 105 Cb 0.38 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.63 1ozi n GLN 105 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ozi h VAL 106 N 0.00 0.00 -0.01 5.09 2.07 -1.95 -3.49 116.25 117.96 1ozi h VAL 106 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ozi h VAL 106 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ozi h VAL 106 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78