#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 3.39 0.00 1.97 0.02 -1.26 -1.38 135.00 137.74 1ozi s PRO 10 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1ozi s PRO 10 Cb 0.00 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.26 1ozi s PRO 10 CO 0.00 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 1ozi n GLY 11 N 5.38 0.64 3.74 0.52 0.00 -1.17 -4.94 105.19 109.37 1ozi n GLY 11 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.91 5.09 -0.35 1.61 -1.08 -0.48 -4.79 116.67 113.76 1ozi s ASP 12 Ca 0.00 -0.40 -0.18 0.00 -0.52 0.00 0.00 52.55 51.46 1ozi s ASP 12 Cb 0.00 -1.16 -0.01 0.00 -1.46 0.00 0.00 42.92 40.29 1ozi s ASP 12 CO 0.00 0.00 0.50 0.42 0.52 0.00 0.00 175.17 176.61 1ozi s THR 13 N -2.11 5.03 0.24 1.71 -4.23 -1.26 -1.94 115.64 113.07 1ozi s THR 13 Ca 0.31 0.34 0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1ozi s THR 13 Cb -0.08 -3.95 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 1ozi s THR 13 CO 0.22 -0.19 -0.17 0.72 -0.54 0.00 0.00 174.62 174.66 1ozi s PHE 14 N 2.36 1.98 -0.41 3.99 -0.12 0.18 -4.93 117.98 121.04 1ozi s PHE 14 Ca 0.18 -0.46 -0.13 0.00 -0.05 0.00 0.00 56.93 56.47 1ozi s PHE 14 Cb -0.16 -0.89 0.03 0.00 -0.63 0.00 0.00 43.02 41.38 1ozi s PHE 14 CO 0.13 0.52 0.27 -1.21 -0.05 0.00 0.00 175.22 174.88 1ozi s GLU 15 N -3.54 2.89 -0.26 1.99 2.02 -1.25 -0.27 118.70 120.28 1ozi s GLU 15 Ca 0.26 -1.11 -0.20 0.00 0.02 0.00 0.00 54.97 53.93 1ozi s GLU 15 Cb -0.03 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 1ozi s GLU 15 CO 0.10 -0.78 0.62 0.54 0.02 0.00 0.00 175.26 175.76 1ozi s VAL 16 N 1.61 4.99 -0.89 2.63 0.11 0.15 -4.81 120.40 124.18 1ozi s VAL 16 Ca 0.04 1.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.97 1ozi s VAL 16 Cb -0.20 -3.93 0.10 0.00 -1.53 0.00 0.00 36.38 30.83 1ozi s VAL 16 CO 0.08 0.02 1.16 -0.70 -3.33 0.00 0.00 175.10 172.33 1ozi s GLU 17 N 2.49 3.51 -0.29 1.54 2.12 -1.25 -0.93 118.70 125.88 1ozi s GLU 17 Ca 0.26 -1.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.06 1ozi s GLU 17 Cb -0.15 -4.86 0.01 0.00 0.26 0.00 0.00 34.13 29.38 1ozi s GLU 17 CO 0.09 -1.86 0.07 -1.17 -0.54 0.00 0.00 175.26 171.85 1ozi s LEU 18 N 3.37 3.79 -0.08 2.70 1.98 0.87 -4.92 118.68 126.39 1ozi s LEU 18 Ca 0.33 -0.71 -0.07 0.00 -2.89 0.00 0.00 54.13 50.79 1ozi s LEU 18 Cb -0.06 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.88 1ozi s LEU 18 CO -0.06 -0.18 0.18 0.00 -1.89 0.00 0.00 176.35 174.40 1ozi s ALA 19 N 1.49 3.87 0.09 5.97 0.00 -1.26 -0.44 121.76 131.48 1ozi s ALA 19 Ca 0.02 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 1ozi s ALA 19 Cb -0.17 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1ozi s ALA 19 CO 0.02 0.63 1.24 0.15 0.00 0.00 0.00 175.76 177.80 1ozi s LYS 20 N -1.24 4.41 0.00 0.00 3.01 0.52 -4.72 119.74 121.72 1ozi s LYS 20 Ca 0.19 1.85 0.00 0.00 -1.01 0.00 0.00 55.97 56.99 1ozi s LYS 20 Cb -0.13 -3.31 0.00 0.00 -1.01 0.00 0.00 37.83 33.38 1ozi s LYS 20 CO 0.08 -0.28 0.00 0.25 0.51 0.00 0.00 175.35 175.92 1ozi n THR 21 N 3.78 0.00 -0.05 2.17 -2.24 -0.96 -4.83 114.28 112.14 1ozi n THR 21 Ca 0.09 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.09 1ozi n THR 21 Cb 0.45 -0.33 0.70 0.00 -2.10 0.00 0.00 70.33 69.05 1ozi n THR 21 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ozi h ASP 22 N 0.00 0.00 -0.50 3.42 3.58 -1.94 -0.27 116.42 120.71 1ozi h ASP 22 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ozi h ASP 22 Cb 0.00 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ozi h ASP 22 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1ozi n GLY 23 N -1.66 3.13 7.00 -0.78 0.00 -1.26 -5.07 105.19 106.54 1ozi n GLY 23 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.54 0.00 0.14 1.61 2.88 -0.11 -2.67 113.62 116.01 1ozi n SER 24 Ca 0.23 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.80 1ozi n SER 24 Cb 0.90 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.77 1ozi n SER 24 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ozi h LEU 25 N 0.00 0.18 0.00 2.46 -0.00 -1.88 -2.55 115.31 113.51 1ozi h LEU 25 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1ozi h LEU 25 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1ozi h LEU 25 CO 0.00 0.35 0.00 0.61 -0.00 0.00 0.00 178.44 179.40 1ozi n GLY 26 N -0.86 0.75 3.24 0.83 0.00 -1.09 -2.11 105.19 105.94 1ozi n GLY 26 Ca -0.01 0.00 -0.25 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 -2.61 1.59 -0.32 -0.61 -4.36 -1.26 -0.86 121.20 112.76 1ozi s ILE 27 Ca 0.00 -1.17 -0.10 0.00 -0.26 0.00 0.00 60.65 59.12 1ozi s ILE 27 Cb 0.00 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.32 1ozi s ILE 27 CO 0.00 0.18 0.16 -0.44 0.24 0.00 0.00 174.94 175.07 1ozi s SER 28 N -1.17 5.55 0.03 4.36 0.01 0.33 -4.99 113.70 117.82 1ozi s SER 28 Ca 0.07 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1ozi s SER 28 Cb -0.09 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1ozi s SER 28 CO 0.02 -0.23 0.13 0.68 0.41 0.00 0.00 173.24 174.25 1ozi s VAL 29 N 1.60 4.96 0.42 3.43 -7.23 -1.26 0.06 120.40 122.38 1ozi s VAL 29 Ca 0.04 -0.46 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1ozi s VAL 29 Cb -0.17 -3.35 -0.06 0.00 0.56 0.00 0.00 36.38 33.36 1ozi s VAL 29 CO 0.06 0.23 0.07 0.28 -0.31 0.00 0.00 175.10 175.43 1ozi s THR 30 N -1.35 1.99 -0.14 5.32 -1.32 0.20 -4.73 115.64 115.62 1ozi s THR 30 Ca 0.28 -1.90 -0.09 0.00 -1.21 0.00 0.00 61.69 58.77 1ozi s THR 30 Cb -0.12 -2.89 -0.25 0.00 -1.51 0.00 0.00 72.50 67.72 1ozi s THR 30 CO 0.20 0.00 0.33 0.52 -2.21 0.00 0.00 174.62 173.46 1ozi n VAL 31 N -1.09 1.74 0.00 5.08 0.31 -1.26 0.13 118.33 123.23 1ozi n VAL 31 Ca -0.05 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1ozi n VAL 31 Cb 0.66 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1ozi n VAL 31 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ozi n LEU 32 N -3.62 0.00 -4.06 7.52 7.94 -1.26 -3.78 117.00 119.74 1ozi n LEU 32 Ca -0.32 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.15 1ozi n LEU 32 Cb 0.99 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.95 1ozi n LEU 32 CO 0.39 0.00 2.40 0.49 -1.11 0.00 0.00 177.39 179.56 1ozi n PHE 33 N -0.04 3.96 -3.18 1.96 3.72 -1.26 -4.78 117.46 117.85 1ozi n PHE 33 Ca 0.00 -2.93 -0.37 0.00 -0.05 0.00 0.00 57.45 54.10 1ozi n PHE 33 Cb 0.00 -2.57 -0.06 0.00 -0.94 0.00 0.00 39.48 35.91 1ozi n PHE 33 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ozi s ASP 34 N 3.53 7.04 -0.33 4.37 2.15 -1.26 -4.89 116.67 127.28 1ozi s ASP 34 Ca 0.49 1.33 -0.29 0.00 0.43 0.00 0.00 52.55 54.52 1ozi s ASP 34 Cb 0.10 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1ozi s ASP 34 CO -0.02 0.11 1.33 -0.54 -0.17 0.00 0.00 175.17 175.87 1ozi s LYS 35 N -1.74 3.84 0.00 4.34 1.02 -1.26 -4.80 119.74 121.13 1ozi s LYS 35 Ca 0.39 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1ozi s LYS 35 Cb -0.17 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1ozi s LYS 35 CO 0.21 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1ozi n GLY 36 N 4.50 4.06 0.00 -3.33 0.00 -1.26 -5.08 105.19 104.07 1ozi n GLY 36 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.85 3.50 -0.02 0.00 -1.26 -5.04 105.19 104.22 1ozi n GLY 37 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.78 4.86 -1.10 1.61 1.01 -1.26 -4.41 120.40 124.89 1ozi s VAL 38 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ozi s VAL 38 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ozi s VAL 38 CO 0.00 0.16 0.00 0.59 0.00 0.00 0.00 175.10 175.85 1ozi n ASN 39 N 5.01 -4.01 -0.08 3.32 4.13 -1.26 -4.91 115.26 117.46 1ozi n ASN 39 Ca -0.14 0.09 -0.14 0.00 1.68 0.00 0.00 54.58 56.07 1ozi n ASN 39 Cb 0.50 -3.01 -0.05 0.00 -1.54 0.00 0.00 39.78 35.69 1ozi n ASN 39 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1ozi h THR 40 N 0.00 1.31 -3.21 3.41 2.02 -1.95 -3.39 112.91 111.11 1ozi h THR 40 Ca -0.27 -1.48 -0.61 0.00 0.77 0.00 0.00 66.41 64.82 1ozi h THR 40 Cb 1.06 1.69 -0.40 0.00 -1.74 0.00 0.00 68.15 68.76 1ozi h THR 40 CO 0.34 0.47 -0.74 -0.44 0.37 0.00 0.00 175.52 175.52 1ozi s SER 41 N -6.51 4.05 -0.09 4.18 0.01 -1.26 -4.86 113.70 109.21 1ozi s SER 41 Ca -0.13 -2.15 0.23 0.00 1.31 0.00 0.00 55.95 55.21 1ozi s SER 41 Cb 0.08 -1.10 0.43 0.00 0.21 0.00 0.00 66.02 65.63 1ozi s SER 41 CO 0.82 -0.35 1.15 0.52 0.41 0.00 0.00 173.24 175.80 1ozi n VAL 42 N 4.19 0.40 -3.57 3.43 0.31 -1.26 -4.78 118.33 117.05 1ozi n VAL 42 Ca 0.03 -1.54 -0.37 0.00 -0.01 0.00 0.00 64.34 62.45 1ozi n VAL 42 Cb 0.39 1.07 -0.09 0.00 -0.91 0.00 0.00 33.84 34.29 1ozi n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ozi s ARG 43 N -1.20 4.09 0.06 5.55 1.70 -1.26 -5.05 118.95 122.84 1ozi s ARG 43 Ca 0.29 -0.12 -0.31 0.00 -0.47 0.00 0.00 55.73 55.12 1ozi s ARG 43 Cb 0.34 -3.55 -0.05 0.00 -0.57 0.00 0.00 34.95 31.12 1ozi s ARG 43 CO -0.12 0.01 1.17 -1.01 -1.08 0.00 0.00 175.30 174.28 1ozi s HIS 44 N 1.20 3.46 0.01 5.89 3.76 -1.26 -4.74 115.29 123.61 1ozi s HIS 44 Ca 0.11 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1ozi s HIS 44 Cb -0.14 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.16 1ozi s HIS 44 CO 0.06 -1.14 0.00 0.41 -0.85 0.00 0.00 174.74 173.22 1ozi n GLY 45 N 3.16 -0.61 0.00 -2.22 0.00 -1.26 -5.09 105.19 99.16 1ozi n GLY 45 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.88 1.73 3.03 -0.02 0.00 -1.24 -4.45 105.19 103.34 1ozi n GLY 46 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.37 0.05 -0.61 -1.09 -0.45 -4.61 121.20 114.85 1ozi s ILE 47 Ca 0.00 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1ozi s ILE 47 Cb 0.00 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.39 1ozi s ILE 47 CO 0.00 -0.41 -0.08 -0.31 -1.23 0.00 0.00 174.94 172.91 1ozi s TYR 48 N -1.36 0.70 -0.50 3.97 1.51 0.12 -0.13 117.35 121.66 1ozi s TYR 48 Ca -0.12 -0.57 -0.29 0.00 -1.01 0.00 0.00 57.07 55.08 1ozi s TYR 48 Cb -0.10 -0.42 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 1ozi s TYR 48 CO -0.00 -0.10 1.19 0.08 -1.11 0.00 0.00 175.55 175.61 1ozi s VAL 49 N -1.75 4.11 0.01 0.71 1.01 -0.93 0.59 120.40 124.15 1ozi s VAL 49 Ca -0.07 1.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 1ozi s VAL 49 Cb -0.08 -4.58 -0.30 0.00 0.00 0.00 0.00 36.38 31.42 1ozi s VAL 49 CO -0.00 -1.06 0.89 0.50 0.00 0.00 0.00 175.10 175.42 1ozi h LYS 50 N 9.53 0.33 -2.64 2.72 3.64 -0.67 -2.59 116.57 126.90 1ozi h LYS 50 Ca -0.24 -0.56 -0.10 0.00 -1.27 0.00 0.00 60.65 58.48 1ozi h LYS 50 Cb 1.07 0.21 -0.20 0.00 -0.41 0.00 0.00 32.23 32.89 1ozi h LYS 50 CO 1.14 1.23 -0.11 0.00 -2.27 0.00 0.00 179.45 179.43 1ozi s ALA 51 N -2.61 -1.15 -0.20 5.00 0.00 -0.29 -4.86 121.76 117.64 1ozi s ALA 51 Ca -0.10 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1ozi s ALA 51 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1ozi s ALA 51 CO 0.87 -0.29 -0.07 0.42 0.00 0.00 0.00 175.76 176.70 1ozi s ILE 52 N -0.98 3.25 -0.12 0.00 -1.09 -1.26 -0.51 121.20 120.48 1ozi s ILE 52 Ca -0.10 -0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 57.58 1ozi s ILE 52 Cb -0.03 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1ozi s ILE 52 CO 0.05 0.45 0.53 -0.63 -1.23 0.00 0.00 174.94 174.12 1ozi s ILE 53 N 1.23 5.14 0.28 2.92 1.09 -0.04 -5.01 121.20 126.80 1ozi s ILE 53 Ca 0.03 1.06 -0.29 0.00 -1.10 0.00 0.00 60.65 60.35 1ozi s ILE 53 Cb -0.14 -3.87 -0.14 0.00 -1.06 0.00 0.00 42.46 37.25 1ozi s ILE 53 CO -0.02 0.28 1.04 -2.65 -0.10 0.00 0.00 174.94 173.49 1ozi n PRO 54 N 3.89 1.36 -0.67 2.79 -0.02 -1.26 -0.82 135.00 140.26 1ozi n PRO 54 Ca -0.05 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1ozi n PRO 54 Cb 0.51 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1ozi n PRO 54 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ozi n LYS 55 N 0.87 0.00 -3.05 -0.52 3.00 -1.26 -4.93 118.16 112.26 1ozi n LYS 55 Ca 0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.97 1ozi n LYS 55 Cb 0.31 -3.70 -0.05 0.00 0.00 0.00 0.00 35.03 31.60 1ozi n LYS 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 56 N -2.00 1.66 0.00 3.14 0.00 -0.00 -4.63 107.32 105.49 1ozi s GLY 56 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1ozi s GLY 56 CO 0.00 1.68 0.00 0.00 0.00 0.00 0.00 173.10 174.78 1ozi n ALA 57 N 6.65 0.00 -0.34 3.20 0.00 -1.26 -0.25 120.51 128.52 1ozi n ALA 57 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 1ozi n ALA 57 Cb 0.45 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.28 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 1.83 0.03 0.00 0.00 -1.71 1.01 119.26 120.42 1ozi h ALA 58 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1ozi h ALA 58 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ozi h ALA 58 CO 0.00 -0.23 -0.71 1.49 0.00 0.00 0.00 179.25 179.80 1ozi h GLU 59 N 0.63 0.43 0.02 0.00 4.57 -0.79 0.62 114.58 120.06 1ozi h GLU 59 Ca 0.59 -0.50 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ozi h GLU 59 Cb 1.10 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1ozi h GLU 59 CO -0.37 1.16 -0.01 0.77 -1.18 0.00 0.00 179.01 179.38 1ozi h SER 60 N -0.08 -0.02 -0.20 1.04 0.02 -1.27 -2.96 113.55 110.08 1ozi h SER 60 Ca -0.10 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1ozi h SER 60 Cb 1.43 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 1ozi h SER 60 CO 0.14 0.34 -0.30 0.44 -1.14 0.00 0.00 176.83 176.32 1ozi h ASP 61 N -0.39 0.72 -2.76 3.07 3.32 0.87 -3.48 116.42 117.78 1ozi h ASP 61 Ca -0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1ozi h ASP 61 Cb 0.37 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.74 1ozi h ASP 61 CO 0.00 0.97 -0.09 0.61 -1.72 0.00 0.00 179.24 179.01 1ozi n GLY 62 N -0.15 0.48 0.43 2.75 0.00 0.04 -5.02 105.19 103.72 1ozi n GLY 62 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -1.49 0.00 -3.11 1.61 5.12 -0.24 -5.02 116.66 113.52 1ozi n ARG 63 Ca -0.02 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.51 1ozi n ARG 63 Cb 0.52 -0.06 -0.06 0.00 -1.16 0.00 0.00 32.46 31.70 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 -0.54 4.54 0.09 0.55 1.01 -1.25 -5.06 121.20 120.54 1ozi s ILE 64 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 60.65 62.10 1ozi s ILE 64 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 1ozi s ILE 64 CO 0.00 0.47 0.11 1.57 0.00 0.00 0.00 174.94 177.09 1ozi n HIS 65 N 1.45 -0.48 -2.01 3.97 -0.00 -1.26 -4.21 115.22 112.69 1ozi n HIS 65 Ca -0.07 -0.68 -0.42 0.00 0.46 0.00 0.00 57.72 57.01 1ozi n HIS 65 Cb 0.50 0.12 -0.03 0.00 -0.12 0.00 0.00 29.99 30.45 1ozi n HIS 65 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1ozi s LYS 66 N -2.28 4.25 0.00 1.57 0.00 -1.26 -2.75 119.74 119.27 1ozi s LYS 66 Ca 0.09 2.26 0.00 0.00 0.00 0.00 0.00 55.97 58.32 1ozi s LYS 66 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 37.83 34.58 1ozi s LYS 66 CO 0.06 -0.57 0.00 0.41 0.00 0.00 0.00 175.35 175.25 1ozi n GLY 67 N 3.70 0.31 3.76 0.59 0.00 -0.97 -4.76 105.19 107.83 1ozi n GLY 67 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1ozi n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozi s ASP 68 N -2.35 6.58 -0.33 1.61 1.01 -1.11 -4.13 116.67 117.94 1ozi s ASP 68 Ca 0.00 2.81 -0.22 0.00 0.71 0.00 0.00 52.55 55.85 1ozi s ASP 68 Cb 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1ozi s ASP 68 CO 0.00 -0.72 0.74 -0.60 0.21 0.00 0.00 175.17 174.80 1ozi s ARG 69 N -1.35 3.84 -0.37 8.23 3.52 -0.67 -2.19 118.95 129.96 1ozi s ARG 69 Ca 0.54 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 56.36 1ozi s ARG 69 Cb -0.43 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 1ozi s ARG 69 CO 0.53 -0.73 0.27 0.08 -0.81 0.00 0.00 175.30 174.64 1ozi s VAL 70 N 2.91 5.26 -0.18 7.11 1.01 0.82 -0.87 120.40 136.46 1ozi s VAL 70 Ca 0.29 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ozi s VAL 70 Cb -0.14 -3.81 -0.22 0.00 0.00 0.00 0.00 36.38 32.21 1ozi s VAL 70 CO 0.14 -0.16 0.13 0.18 0.00 0.00 0.00 175.10 175.40 1ozi n LEU 71 N 5.13 2.23 0.00 3.92 4.77 0.55 -1.34 117.00 132.26 1ozi n LEU 71 Ca -0.12 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 1ozi n LEU 71 Cb 0.48 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1ozi n LEU 71 CO 0.39 0.79 0.47 0.00 -1.33 0.00 0.00 177.39 177.70 1ozi n ALA 72 N -3.02 -1.51 -3.79 -1.18 0.00 -0.90 -2.16 120.51 107.94 1ozi n ALA 72 Ca -0.36 -1.32 -0.30 0.00 0.00 0.00 0.00 53.44 51.46 1ozi n ALA 72 Cb 1.04 1.06 -0.15 0.00 0.00 0.00 0.00 19.45 21.40 1ozi n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ozi s VAL 73 N -2.23 1.07 -1.46 0.00 0.11 0.13 0.12 120.40 118.14 1ozi s VAL 73 Ca 0.18 -1.37 -0.07 0.00 -2.93 0.00 0.00 61.98 57.79 1ozi s VAL 73 Cb -0.04 -1.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.11 1ozi s VAL 73 CO 0.13 -0.53 0.88 -3.20 -3.33 0.00 0.00 175.10 169.06 1ozi n ASN 74 N 4.78 -6.06 0.00 3.54 5.15 0.65 -0.62 115.26 122.70 1ozi n ASN 74 Ca -0.04 -0.44 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1ozi n ASN 74 Cb 0.43 -4.83 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 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 -1.74 1.75 3.67 8.20 0.00 -1.26 -4.95 105.19 110.86 1ozi n GLY 75 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.38 5.17 0.42 1.61 1.01 0.20 -5.05 120.40 121.38 1ozi s VAL 76 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 1ozi s VAL 76 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1ozi s VAL 76 CO 0.00 0.24 1.15 -0.44 0.00 0.00 0.00 175.10 176.04 1ozi s SER 77 N 1.03 6.45 -0.27 3.32 0.01 -1.26 0.20 113.70 123.18 1ozi s SER 77 Ca 0.21 2.28 0.11 0.00 1.31 0.00 0.00 55.95 59.86 1ozi s SER 77 Cb -0.15 -2.61 0.52 0.00 0.21 0.00 0.00 66.02 63.99 1ozi s SER 77 CO 0.09 -0.72 1.47 0.18 0.41 0.00 0.00 173.24 174.67 1ozi n LEU 78 N -0.13 4.18 -4.65 2.44 4.77 -0.92 -4.80 117.00 117.88 1ozi n LEU 78 Ca 0.05 -3.58 -0.43 0.00 -0.03 0.00 0.00 56.01 52.03 1ozi n LEU 78 Cb 0.47 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1ozi n LEU 78 CO 0.49 1.10 1.01 -1.61 -1.33 0.00 0.00 177.39 177.05 1ozi s GLU 79 N -3.15 4.14 0.00 3.23 2.02 -1.26 -2.55 118.70 121.13 1ozi s GLU 79 Ca 0.44 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1ozi s GLU 79 Cb 0.39 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1ozi s GLU 79 CO 0.03 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1ozi n GLY 80 N 3.72 0.64 0.51 -1.39 0.00 -1.26 -5.06 105.19 102.36 1ozi n GLY 80 Ca 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1ozi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozi n ALA 81 N -0.26 0.11 -3.06 4.61 0.00 -1.06 -5.14 120.51 115.71 1ozi n ALA 81 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 1ozi n ALA 81 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1ozi n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ozi s THR 82 N 0.24 0.00 0.14 0.00 -1.32 -1.26 -4.97 115.64 108.47 1ozi s THR 82 Ca 0.08 -1.48 -0.26 0.00 -1.21 0.00 0.00 61.69 58.82 1ozi s THR 82 Cb -0.01 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1ozi s THR 82 CO 0.05 0.00 1.60 -0.74 -2.21 0.00 0.00 174.62 173.32 1ozi h HIS 83 N 2.16 -0.99 -0.64 9.09 2.76 -1.87 0.14 115.15 125.80 1ozi h HIS 83 Ca -0.28 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.04 1ozi h HIS 83 Cb 1.24 0.46 -0.08 0.00 1.55 0.00 0.00 27.41 30.59 1ozi h HIS 83 CO 1.08 -0.42 0.24 -0.22 -1.30 0.00 0.00 177.93 177.31 1ozi h LYS 84 N -0.40 0.40 -0.22 5.26 3.11 -1.97 -0.20 116.57 122.55 1ozi h LYS 84 Ca 0.10 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.82 1ozi h LYS 84 Cb 0.57 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1ozi h LYS 84 CO -0.41 0.27 -0.26 1.96 -2.81 0.00 0.00 179.45 178.20 1ozi h GLN 85 N 0.41 0.57 -0.07 1.90 1.08 -1.74 0.60 115.11 117.85 1ozi h GLN 85 Ca 0.33 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1ozi h GLN 85 Cb 0.43 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1ozi h GLN 85 CO -0.33 0.91 -0.02 0.00 -0.95 0.00 0.00 178.83 178.43 1ozi h ALA 86 N 0.65 0.05 -0.42 3.87 0.00 -0.35 -1.10 119.26 121.96 1ozi h ALA 86 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ozi h ALA 86 Cb 0.82 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ozi h ALA 86 CO 0.06 -0.49 -0.14 0.28 0.00 0.00 0.00 179.25 178.95 1ozi h VAL 87 N -0.01 1.26 -0.52 0.00 2.07 -0.96 -1.04 116.25 117.06 1ozi h VAL 87 Ca 0.04 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1ozi h VAL 87 Cb 0.06 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1ozi h VAL 87 CO -0.08 0.41 0.13 -0.33 0.02 0.00 0.00 177.57 177.73 1ozi h GLU 88 N 0.69 0.78 -0.35 1.57 4.39 -0.63 0.11 114.58 121.14 1ozi h GLU 88 Ca 0.11 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 1ozi h GLU 88 Cb 0.63 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1ozi h GLU 88 CO 0.04 0.70 -0.32 1.15 -1.16 0.00 0.00 179.01 179.42 1ozi h THR 89 N 0.76 1.28 0.00 1.13 2.02 -0.71 0.24 112.91 117.62 1ozi h THR 89 Ca 0.17 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1ozi h THR 89 Cb 0.26 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1ozi h THR 89 CO -0.00 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 176.30 1ozi h LEU 90 N 0.65 0.00 0.04 2.58 3.38 0.06 -0.55 115.31 121.48 1ozi h LEU 90 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1ozi h LEU 90 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1ozi h LEU 90 CO 0.08 0.00 -0.93 -0.09 0.09 0.00 0.00 178.44 177.59 1ozi h ARG 91 N 0.00 0.09 0.00 1.13 2.43 -0.37 -3.38 114.38 114.28 1ozi h ARG 91 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1ozi h ARG 91 Cb 0.56 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1ozi h ARG 91 CO 0.00 1.08 0.00 0.09 -1.51 0.00 0.00 179.97 179.63 1ozi n ASN 92 N -4.30 0.33 0.14 -3.80 3.02 0.79 -3.17 115.26 108.27 1ozi n ASN 92 Ca -0.23 0.55 -0.01 0.00 -0.03 0.00 0.00 54.58 54.87 1ozi n ASN 92 Cb 0.70 -0.63 0.20 0.00 -0.61 0.00 0.00 39.78 39.44 1ozi n ASN 92 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1ozi h THR 93 N 0.00 1.42 0.00 3.41 1.35 -1.28 -3.50 112.91 114.31 1ozi h THR 93 Ca 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1ozi h THR 93 Cb 0.47 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1ozi h THR 93 CO 0.00 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1ozi n GLY 94 N 0.15 0.16 0.11 5.82 0.00 -1.19 -4.76 105.19 105.48 1ozi n GLY 94 Ca -0.01 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 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 0.21 -6.19 1.61 5.75 -1.91 -3.46 115.11 111.12 1ozi h GLN 95 Ca 0.00 -0.36 -0.58 0.00 -0.15 0.00 0.00 58.65 57.56 1ozi h GLN 95 Cb 0.00 0.14 -0.24 0.00 1.07 0.00 0.00 27.48 28.45 1ozi h GLN 95 CO 0.00 1.04 -0.84 0.08 -2.65 0.00 0.00 178.83 176.46 1ozi s VAL 96 N -2.60 1.74 0.05 2.39 1.01 -1.26 -0.36 120.40 121.37 1ozi s VAL 96 Ca -0.11 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.51 1ozi s VAL 96 Cb 0.07 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1ozi s VAL 96 CO 0.83 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 175.16 1ozi s VAL 97 N -1.00 1.19 -0.73 2.92 1.01 0.42 -4.90 120.40 119.30 1ozi s VAL 97 Ca 0.07 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1ozi s VAL 97 Cb -0.10 -1.09 0.26 0.00 0.00 0.00 0.00 36.38 35.46 1ozi s VAL 97 CO 0.03 -0.03 0.91 1.41 0.00 0.00 0.00 175.10 177.42 1ozi n HIS 98 N 1.73 3.36 -1.82 5.22 8.25 -1.23 -0.09 115.22 130.64 1ozi n HIS 98 Ca -0.19 -3.82 -0.36 0.00 -0.26 0.00 0.00 57.72 53.09 1ozi n HIS 98 Cb 0.54 -0.71 0.05 0.00 1.12 0.00 0.00 29.99 31.00 1ozi n HIS 98 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ozi s LEU 99 N -2.55 3.57 -0.45 2.41 1.02 -0.11 -0.25 118.68 122.31 1ozi s LEU 99 Ca 0.38 2.43 -0.19 0.00 0.02 0.00 0.00 54.13 56.77 1ozi s LEU 99 Cb 0.13 -4.60 0.03 0.00 0.02 0.00 0.00 46.19 41.77 1ozi s LEU 99 CO 0.01 -1.83 0.57 -0.22 0.02 0.00 0.00 176.35 174.91 1ozi s LEU 100 N -4.38 4.73 0.06 1.79 2.96 0.12 0.29 118.68 124.25 1ozi s LEU 100 Ca 0.78 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 1ozi s LEU 100 Cb -0.32 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1ozi s LEU 100 CO 0.37 -0.74 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.72 1ozi s LEU 101 N 2.55 2.22 -0.26 -0.68 1.02 0.63 -0.33 118.68 123.84 1ozi s LEU 101 Ca 0.17 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 1ozi s LEU 101 Cb -0.16 -0.78 0.02 0.00 0.02 0.00 0.00 46.19 45.29 1ozi s LEU 101 CO 0.16 0.06 -0.03 -0.70 0.02 0.00 0.00 176.35 175.85 1ozi s GLU 102 N -1.47 2.92 -0.29 1.70 2.12 -0.05 0.51 118.70 124.14 1ozi s GLU 102 Ca 0.04 -0.93 -0.38 0.00 0.36 0.00 0.00 54.97 54.06 1ozi s GLU 102 Cb -0.09 -3.06 -0.14 0.00 0.26 0.00 0.00 34.13 31.10 1ozi s GLU 102 CO 0.02 -0.40 1.92 1.17 -0.54 0.00 0.00 175.26 177.43 1ozi n LYS 103 N 4.71 1.20 -3.41 4.30 0.00 -0.82 -1.67 118.16 122.49 1ozi n LYS 103 Ca -0.16 0.41 -0.43 0.00 0.00 0.00 0.00 58.31 58.13 1ozi n LYS 103 Cb 0.47 -2.25 -0.02 0.00 0.00 0.00 0.00 35.03 33.24 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1ozi s GLY 104 N 4.86 3.20 -0.52 3.14 0.00 -1.26 -3.02 107.32 113.72 1ozi s GLY 104 Ca 1.02 -3.85 -0.16 0.00 0.00 0.00 0.00 44.72 41.73 1ozi s GLY 104 CO 0.59 1.30 0.49 1.20 0.00 0.00 0.00 173.10 176.68 1ozi s GLN 105 N -1.29 3.00 -0.29 2.90 -0.21 -1.26 -3.26 119.66 119.25 1ozi s GLN 105 Ca 0.30 -1.53 0.01 0.00 0.02 0.00 0.00 55.36 54.16 1ozi s GLN 105 Cb -0.09 -4.23 0.09 0.00 1.00 0.00 0.00 33.01 29.77 1ozi s GLN 105 CO -0.09 -1.24 0.05 0.14 -2.12 0.00 0.00 175.29 172.02 1ozi s VAL 106 N 1.74 1.34 -2.00 1.09 -7.23 -1.26 -5.08 120.40 108.99 1ozi s VAL 106 Ca 0.04 -1.52 0.09 0.00 -1.81 0.00 0.00 61.98 58.79 1ozi s VAL 106 Cb -0.27 -1.89 0.25 0.00 0.56 0.00 0.00 36.38 35.03 1ozi s VAL 106 CO 0.05 -0.48 0.97 -2.65 -0.31 0.00 0.00 175.10 172.68