#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 1.53 -0.55 1.97 -0.04 -1.26 -2.77 135.00 133.88 1ozi n PRO 10 Ca 0.00 -1.13 -0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1ozi n PRO 10 Cb 0.00 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1ozi n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ozi n GLY 11 N 0.26 -0.45 3.83 0.55 0.00 -1.21 -4.53 105.19 103.63 1ozi n GLY 11 Ca 0.22 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 6.96 -0.33 1.61 -1.08 -1.11 -4.65 116.67 118.01 1ozi s ASP 12 Ca 0.00 1.22 -0.15 0.00 -0.52 0.00 0.00 52.55 53.09 1ozi s ASP 12 Cb 0.00 -2.34 -0.02 0.00 -1.46 0.00 0.00 42.92 39.10 1ozi s ASP 12 CO -0.00 0.15 0.37 0.42 0.52 0.00 0.00 175.17 176.63 1ozi s THR 13 N -1.36 5.16 -0.07 1.71 -4.23 -1.26 -1.34 115.64 114.25 1ozi s THR 13 Ca 0.36 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1ozi s THR 13 Cb -0.17 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.90 1ozi s THR 13 CO 0.20 -0.06 0.17 0.72 -0.54 0.00 0.00 174.62 175.11 1ozi s PHE 14 N 2.05 -0.20 -0.75 3.99 -0.71 0.31 -4.99 117.98 117.67 1ozi s PHE 14 Ca 0.13 0.53 -0.26 0.00 -1.04 0.00 0.00 56.93 56.29 1ozi s PHE 14 Cb -0.16 -0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.66 1ozi s PHE 14 CO 0.12 -0.16 1.25 -1.21 -1.34 0.00 0.00 175.22 173.87 1ozi s GLU 15 N 0.93 3.21 0.14 1.99 2.02 -1.26 -0.61 118.70 125.12 1ozi s GLU 15 Ca -0.07 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.22 1ozi s GLU 15 Cb -0.09 -4.28 -0.08 0.00 0.10 0.00 0.00 34.13 29.78 1ozi s GLU 15 CO -0.05 -2.11 1.40 0.08 0.02 0.00 0.00 175.26 174.60 1ozi s VAL 16 N 5.44 3.17 -0.64 2.63 1.01 0.21 -4.69 120.40 127.53 1ozi s VAL 16 Ca 0.34 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 1ozi s VAL 16 Cb -0.09 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.84 1ozi s VAL 16 CO 0.12 0.08 0.81 -1.61 0.00 0.00 0.00 175.10 174.51 1ozi s GLU 17 N 0.80 3.12 -0.24 2.72 2.02 -1.26 -0.10 118.70 125.77 1ozi s GLU 17 Ca 0.63 -1.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.33 1ozi s GLU 17 Cb -0.38 -4.31 -0.01 0.00 0.10 0.00 0.00 34.13 29.54 1ozi s GLU 17 CO 0.33 -1.63 -0.01 -1.17 0.02 0.00 0.00 175.26 172.79 1ozi s LEU 18 N 3.01 3.14 -0.21 1.80 1.98 0.22 -4.95 118.68 123.66 1ozi s LEU 18 Ca 0.16 -0.46 -0.13 0.00 -2.89 0.00 0.00 54.13 50.81 1ozi s LEU 18 Cb -0.20 -1.78 -0.04 0.00 0.66 0.00 0.00 46.19 44.83 1ozi s LEU 18 CO 0.06 -0.06 0.29 0.00 -1.89 0.00 0.00 176.35 174.75 1ozi s ALA 19 N 1.49 3.59 0.22 5.97 0.00 -1.26 -0.28 121.76 131.48 1ozi s ALA 19 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 1ozi s ALA 19 Cb -0.15 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 1ozi s ALA 19 CO -0.02 -0.17 1.06 0.15 0.00 0.00 0.00 175.76 176.79 1ozi s LYS 20 N 1.02 4.66 0.08 0.00 1.02 0.09 -4.60 119.74 122.02 1ozi s LYS 20 Ca 0.14 1.70 -0.14 0.00 0.02 0.00 0.00 55.97 57.69 1ozi s LYS 20 Cb -0.14 -3.25 -0.17 0.00 -0.52 0.00 0.00 37.83 33.75 1ozi s LYS 20 CO 0.06 0.21 1.28 0.00 -0.92 0.00 0.00 175.35 175.97 1ozi h THR 21 N 3.42 1.30 0.00 2.17 1.03 -1.91 -3.48 112.91 115.44 1ozi h THR 21 Ca -0.45 -1.94 0.00 0.00 -0.01 0.00 0.00 66.41 64.00 1ozi h THR 21 Cb 1.21 2.06 0.00 0.00 -1.07 0.00 0.00 68.15 70.35 1ozi h THR 21 CO 0.70 0.61 0.00 -0.67 -0.01 0.00 0.00 175.52 176.14 1ozi n ASP 22 N -4.02 -0.78 -3.62 0.00 2.03 -1.26 -5.02 116.55 103.88 1ozi n ASP 22 Ca -0.08 0.33 -0.41 0.00 0.52 0.00 0.00 54.79 55.15 1ozi n ASP 22 Cb 0.71 0.97 -0.00 0.00 -0.72 0.00 0.00 41.12 42.08 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 -1.34 5.04 7.00 0.27 0.00 -1.26 -4.96 105.19 109.94 1ozi n GLY 23 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 2.51 -2.86 -4.80 1.61 2.88 -1.26 -4.89 113.62 106.81 1ozi n SER 24 Ca 0.54 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.77 1ozi n SER 24 Cb 0.29 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.80 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 3.15 -0.59 2.46 2.01 -1.26 -4.21 118.68 120.25 1ozi s LEU 25 Ca 0.00 1.70 -0.01 0.00 0.01 0.00 0.00 54.13 55.83 1ozi s LEU 25 Cb 0.00 -4.51 0.45 0.00 0.01 0.00 0.00 46.19 42.15 1ozi s LEU 25 CO 0.00 -1.56 2.01 0.61 1.01 0.00 0.00 176.35 178.42 1ozi n GLY 26 N -1.65 5.44 2.98 -3.19 0.00 -1.26 -4.90 105.19 102.62 1ozi n GLY 26 Ca 0.08 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.28 0.35 -0.30 -0.61 -4.36 -1.26 -0.70 121.20 110.04 1ozi s ILE 27 Ca 0.60 -0.55 -0.08 0.00 -0.26 0.00 0.00 60.65 60.35 1ozi s ILE 27 Cb 0.47 -0.37 0.00 0.00 1.25 0.00 0.00 42.46 43.81 1ozi s ILE 27 CO 0.01 -0.14 0.12 -0.55 0.24 0.00 0.00 174.94 174.62 1ozi s SER 28 N -0.75 5.35 0.09 4.36 0.15 0.65 -4.73 113.70 118.83 1ozi s SER 28 Ca -0.04 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.06 1ozi s SER 28 Cb -0.05 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1ozi s SER 28 CO -0.00 -0.19 -0.12 0.68 1.20 0.00 0.00 173.24 174.80 1ozi s VAL 29 N 1.56 3.22 0.21 4.45 -7.23 -1.26 0.47 120.40 121.82 1ozi s VAL 29 Ca 0.04 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1ozi s VAL 29 Cb -0.17 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 1ozi s VAL 29 CO 0.04 0.17 0.39 0.28 -0.31 0.00 0.00 175.10 175.68 1ozi s THR 30 N -1.14 0.02 -0.22 5.32 -1.32 0.66 -4.85 115.64 114.11 1ozi s THR 30 Ca 0.19 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 59.32 1ozi s THR 30 Cb -0.11 -2.04 0.04 0.00 -1.51 0.00 0.00 72.50 68.89 1ozi s THR 30 CO 0.11 -0.11 -0.14 0.54 -2.21 0.00 0.00 174.62 172.82 1ozi s VAL 31 N -4.00 2.03 -1.08 5.08 0.11 -1.26 0.12 120.40 121.40 1ozi s VAL 31 Ca 0.20 -1.29 -0.19 0.00 -2.93 0.00 0.00 61.98 57.78 1ozi s VAL 31 Cb 0.01 -2.03 0.10 0.00 -1.53 0.00 0.00 36.38 32.93 1ozi s VAL 31 CO 0.05 0.19 1.40 -0.76 -3.33 0.00 0.00 175.10 172.65 1ozi s LEU 32 N 1.22 4.35 -0.30 2.54 2.01 -1.26 -4.82 118.68 122.42 1ozi s LEU 32 Ca -0.03 -2.12 -0.02 0.00 0.01 0.00 0.00 54.13 51.97 1ozi s LEU 32 Cb -0.17 -2.49 0.19 0.00 0.01 0.00 0.00 46.19 43.73 1ozi s LEU 32 CO -0.08 -1.16 0.66 0.12 1.01 0.00 0.00 176.35 176.90 1ozi s PHE 33 N 3.47 -1.50 -0.08 0.29 2.19 -1.26 -4.69 117.98 116.40 1ozi s PHE 33 Ca 0.43 1.47 -0.05 0.00 0.33 0.00 0.00 56.93 59.11 1ozi s PHE 33 Cb -0.01 0.48 -0.02 0.00 -1.31 0.00 0.00 43.02 42.16 1ozi s PHE 33 CO -0.05 -0.83 -0.09 -0.44 1.83 0.00 0.00 175.22 175.64 1ozi h ASP 34 N 7.99 0.00 0.00 6.13 3.32 -2.01 -3.44 116.42 128.41 1ozi h ASP 34 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ozi h ASP 34 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ozi h ASP 34 CO 0.20 0.43 0.00 0.29 -1.72 0.00 0.00 179.24 178.44 1ozi n LYS 35 N -3.69 0.69 0.00 3.56 5.02 -1.26 -5.08 118.16 117.40 1ozi n LYS 35 Ca -0.04 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 1ozi n LYS 35 Cb 0.14 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1ozi n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozi n GLY 36 N -0.11 -0.55 0.00 0.72 0.00 -1.26 -5.18 105.19 98.80 1ozi n GLY 36 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 1.48 2.72 -0.02 0.00 -1.26 -3.98 105.19 104.13 1ozi n GLY 37 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.46 4.71 -3.50 1.61 0.31 -1.26 -4.73 118.33 115.00 1ozi n VAL 38 Ca 0.00 -4.40 -0.20 0.00 -0.01 0.00 0.00 64.34 59.73 1ozi n VAL 38 Cb 0.00 -2.25 -0.13 0.00 -0.91 0.00 0.00 33.84 30.55 1ozi n VAL 38 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ozi s ASN 39 N 0.60 1.68 -1.29 4.52 -0.87 -1.26 -5.07 114.94 113.26 1ozi s ASN 39 Ca 0.45 -0.39 -0.17 0.00 -1.57 0.00 0.00 52.86 51.18 1ozi s ASN 39 Cb 0.13 0.26 0.09 0.00 -0.02 0.00 0.00 41.25 41.71 1ozi s ASN 39 CO -0.03 -0.34 1.69 0.35 -2.57 0.00 0.00 177.10 176.20 1ozi n THR 40 N 5.31 4.01 -3.15 1.60 -2.24 -1.26 -4.66 114.28 113.88 1ozi n THR 40 Ca -0.05 -4.22 0.03 0.00 -2.27 0.00 0.00 64.05 57.54 1ozi n THR 40 Cb 0.49 -2.38 -0.00 0.00 -2.10 0.00 0.00 70.33 66.33 1ozi n THR 40 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ozi s SER 41 N 3.85 -1.41 -0.36 3.42 0.15 -1.26 -5.10 113.70 112.99 1ozi s SER 41 Ca 0.51 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1ozi s SER 41 Cb 0.03 1.83 0.14 0.00 -1.71 0.00 0.00 66.02 66.31 1ozi s SER 41 CO 0.06 -0.20 0.22 -0.69 1.20 0.00 0.00 173.24 173.82 1ozi s VAL 42 N 2.31 0.18 0.20 4.45 1.01 -1.26 -4.92 120.40 122.36 1ozi s VAL 42 Ca 0.14 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1ozi s VAL 42 Cb -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1ozi s VAL 42 CO -0.16 -1.00 0.00 0.54 0.00 0.00 0.00 175.10 174.49 1ozi n ARG 43 N 3.99 0.00 -3.69 2.72 5.12 -1.26 -5.11 116.66 118.43 1ozi n ARG 43 Ca 0.13 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 1ozi n ARG 43 Cb 0.37 -0.14 -0.10 0.00 -1.16 0.00 0.00 32.46 31.44 1ozi n ARG 43 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1ozi s HIS 44 N -2.00 -0.63 0.00 -1.55 -3.43 -1.26 -5.13 115.29 101.29 1ozi s HIS 44 Ca 0.00 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.68 1ozi s HIS 44 Cb 0.00 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.42 1ozi s HIS 44 CO 0.00 -0.33 0.00 0.41 -2.00 0.00 0.00 174.74 172.82 1ozi n GLY 45 N 3.55 -0.42 0.00 -1.38 0.00 -1.25 -4.76 105.19 100.93 1ozi n GLY 45 Ca -0.18 -1.09 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 0.00 3.86 -0.02 0.00 -0.83 -4.67 105.19 103.53 1ozi n GLY 46 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 5.11 -0.09 -0.61 -1.09 0.21 -4.57 121.20 120.15 1ozi s ILE 47 Ca 0.00 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 1ozi s ILE 47 Cb 0.00 -3.45 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1ozi s ILE 47 CO 0.00 0.20 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.28 1ozi s TYR 48 N -1.40 1.95 -0.49 3.97 5.04 0.12 0.70 117.35 127.23 1ozi s TYR 48 Ca 0.31 -0.83 -0.28 0.00 -2.44 0.00 0.00 57.07 53.83 1ozi s TYR 48 Cb -0.13 -1.38 -0.01 0.00 0.35 0.00 0.00 41.96 40.80 1ozi s TYR 48 CO 0.23 -0.40 1.65 0.08 -1.34 0.00 0.00 175.55 175.77 1ozi s VAL 49 N 0.72 3.59 0.05 3.14 1.01 0.56 -0.25 120.40 129.23 1ozi s VAL 49 Ca -0.12 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 1ozi s VAL 49 Cb -0.16 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 31.88 1ozi s VAL 49 CO 0.03 -0.83 1.09 0.50 0.00 0.00 0.00 175.10 175.89 1ozi h LYS 50 N 12.61 0.62 -3.03 2.72 3.64 -0.30 0.20 116.57 133.03 1ozi h LYS 50 Ca -0.29 -0.84 0.02 0.00 -1.27 0.00 0.00 60.65 58.28 1ozi h LYS 50 Cb 1.13 0.28 -0.09 0.00 -0.41 0.00 0.00 32.23 33.15 1ozi h LYS 50 CO 1.14 1.38 0.20 0.00 -2.27 0.00 0.00 179.45 179.90 1ozi s ALA 51 N -2.96 -1.36 -0.39 5.00 0.00 -0.94 -4.58 121.76 116.53 1ozi s ALA 51 Ca -0.10 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1ozi s ALA 51 Cb 0.05 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1ozi s ALA 51 CO 0.93 -0.90 0.25 0.42 0.00 0.00 0.00 175.76 176.46 1ozi s ILE 52 N -3.84 4.83 0.60 0.00 -1.09 -1.26 -0.25 121.20 120.19 1ozi s ILE 52 Ca 0.06 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 57.51 1ozi s ILE 52 Cb -0.03 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1ozi s ILE 52 CO -0.03 -0.28 1.07 -0.63 -1.23 0.00 0.00 174.94 173.84 1ozi s ILE 53 N 1.60 3.62 0.00 2.92 -1.09 0.13 -4.91 121.20 123.46 1ozi s ILE 53 Ca 0.03 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1ozi s ILE 53 Cb -0.19 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1ozi s ILE 53 CO 0.08 -0.43 0.00 -2.65 -1.23 0.00 0.00 174.94 170.71 1ozi n PRO 54 N -2.03 1.93 0.00 2.79 -0.02 -1.26 -4.38 135.00 132.03 1ozi n PRO 54 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ozi n PRO 54 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 0.00 0.00 0.00 -0.52 4.01 -1.26 -4.42 118.16 115.97 1ozi n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ozi n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1ozi n LYS 55 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ozi n GLY 56 N 0.00 0.44 5.67 0.72 0.00 -1.26 -4.95 105.19 105.81 1ozi n GLY 56 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.00 0.00 0.05 4.61 0.00 -1.26 -2.94 120.51 119.97 1ozi n ALA 57 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ozi n ALA 57 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.50 0.31 -0.15 0.00 0.00 -1.87 -1.27 119.26 115.80 1ozi h ALA 58 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 1ozi h ALA 58 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ozi h ALA 58 CO 0.00 0.76 -0.13 1.49 0.00 0.00 0.00 179.25 181.36 1ozi h GLU 59 N 0.32 0.35 -0.22 0.00 4.22 -1.75 0.94 114.58 118.44 1ozi h GLU 59 Ca -0.09 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.06 1ozi h GLU 59 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1ozi h GLU 59 CO 0.17 0.73 -0.29 0.77 -2.18 0.00 0.00 179.01 178.21 1ozi h SER 60 N -0.02 0.64 0.68 1.04 0.02 -1.70 -2.64 113.55 111.58 1ozi h SER 60 Ca 0.02 -0.50 -0.15 0.00 -0.84 0.00 0.00 61.79 60.32 1ozi h SER 60 Cb 0.66 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1ozi h SER 60 CO 0.03 1.02 -0.69 -0.78 -1.14 0.00 0.00 176.83 175.27 1ozi h ASP 61 N 0.28 0.01 -0.51 3.07 1.82 -1.31 -3.47 116.42 116.31 1ozi h ASP 61 Ca 0.03 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1ozi h ASP 61 Cb 0.86 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1ozi h ASP 61 CO 0.07 0.70 -0.03 0.61 -1.61 0.00 0.00 179.24 178.98 1ozi n GLY 62 N 0.47 0.52 0.08 -0.78 0.00 0.26 -4.99 105.19 100.76 1ozi n GLY 62 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1ozi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozi n ARG 63 N -0.96 0.50 -3.05 1.61 1.74 -0.82 -4.90 116.66 110.78 1ozi n ARG 63 Ca -0.01 0.37 -0.40 0.00 -0.77 0.00 0.00 57.85 57.05 1ozi n ARG 63 Cb 0.51 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ozi s ILE 64 N -2.57 4.97 0.30 0.55 1.01 -1.24 -5.05 121.20 119.16 1ozi s ILE 64 Ca -0.23 1.46 0.11 0.00 0.00 0.00 0.00 60.65 61.99 1ozi s ILE 64 Cb 0.04 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 1ozi s ILE 64 CO 0.34 0.29 -0.15 -1.00 0.00 0.00 0.00 174.94 174.42 1ozi s HIS 65 N 0.51 2.35 0.30 3.97 3.76 -1.26 -4.45 115.29 120.47 1ozi s HIS 65 Ca 0.37 -0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 54.65 1ozi s HIS 65 Cb -0.18 -1.15 -0.09 0.00 1.11 0.00 0.00 32.58 32.26 1ozi s HIS 65 CO 0.19 0.66 0.87 -1.59 -0.85 0.00 0.00 174.74 174.02 1ozi s LYS 66 N -3.56 4.46 0.00 1.40 -2.85 -1.26 -3.23 119.74 114.70 1ozi s LYS 66 Ca 0.31 1.17 0.00 0.00 -1.00 0.00 0.00 55.97 56.45 1ozi s LYS 66 Cb -0.02 -2.79 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1ozi s LYS 66 CO 0.16 0.30 0.00 0.41 0.10 0.00 0.00 175.35 176.32 1ozi n GLY 67 N 0.55 0.31 3.88 0.59 0.00 0.68 -4.96 105.19 106.24 1ozi n GLY 67 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.19 6.53 -0.09 1.61 1.01 -1.20 -3.78 116.67 118.57 1ozi s ASP 68 Ca 0.00 1.06 -0.05 0.00 0.71 0.00 0.00 52.55 54.27 1ozi s ASP 68 Cb 0.00 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1ozi s ASP 68 CO 0.00 -0.34 0.14 -0.13 0.21 0.00 0.00 175.17 175.06 1ozi s ARG 69 N -3.69 3.41 -0.20 8.23 0.52 -0.91 -0.33 118.95 125.98 1ozi s ARG 69 Ca 0.50 -0.20 -0.06 0.00 -0.52 0.00 0.00 55.73 55.45 1ozi s ARG 69 Cb -0.10 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1ozi s ARG 69 CO 0.30 0.75 0.03 0.08 0.02 0.00 0.00 175.30 176.47 1ozi s VAL 70 N -1.10 4.28 -0.22 3.52 1.01 0.22 -0.90 120.40 127.20 1ozi s VAL 70 Ca 0.18 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1ozi s VAL 70 Cb -0.12 -2.95 -0.20 0.00 0.00 0.00 0.00 36.38 33.12 1ozi s VAL 70 CO 0.08 0.42 -0.09 0.18 0.00 0.00 0.00 175.10 175.69 1ozi n LEU 71 N 4.14 1.64 -3.70 3.92 4.77 0.14 -0.62 117.00 127.28 1ozi n LEU 71 Ca -0.17 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1ozi n LEU 71 Cb 0.52 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1ozi n LEU 71 CO 0.33 0.72 0.47 0.00 -1.33 0.00 0.00 177.39 177.58 1ozi s ALA 72 N -2.48 -1.39 -0.28 -1.18 0.00 -0.55 -0.63 121.76 115.25 1ozi s ALA 72 Ca -0.23 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1ozi s ALA 72 Cb 0.07 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.09 1ozi s ALA 72 CO 0.67 -0.94 -0.06 0.08 0.00 0.00 0.00 175.76 175.51 1ozi s VAL 73 N -3.80 2.32 -1.20 0.00 1.01 0.03 0.09 120.40 118.86 1ozi s VAL 73 Ca 0.08 -1.73 -0.03 0.00 0.00 0.00 0.00 61.98 60.29 1ozi s VAL 73 Cb -0.04 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1ozi s VAL 73 CO -0.00 -0.15 0.86 -3.20 0.00 0.00 0.00 175.10 172.61 1ozi n ASN 74 N 4.43 -2.95 0.00 3.32 5.15 0.22 -1.47 115.26 123.96 1ozi n ASN 74 Ca -0.11 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 1ozi n ASN 74 Cb 0.42 -4.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 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 -1.35 2.76 3.60 8.20 0.00 -1.26 -4.96 105.19 112.18 1ozi n GLY 75 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.57 4.30 0.36 1.61 1.01 -0.54 -4.98 120.40 121.59 1ozi s VAL 76 Ca 0.00 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 1ozi s VAL 76 Cb 0.00 -4.55 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 1ozi s VAL 76 CO 0.00 -0.91 1.41 -0.44 0.00 0.00 0.00 175.10 175.16 1ozi s SER 77 N 2.32 6.51 -0.88 3.32 0.01 -1.26 -0.79 113.70 122.94 1ozi s SER 77 Ca 0.45 2.90 -0.01 0.00 1.31 0.00 0.00 55.95 60.61 1ozi s SER 77 Cb -0.08 -2.66 0.24 0.00 0.21 0.00 0.00 66.02 63.73 1ozi s SER 77 CO 0.29 -0.74 0.91 0.18 0.41 0.00 0.00 173.24 174.29 1ozi n LEU 78 N 0.59 4.53 -4.49 2.44 4.77 0.20 -4.87 117.00 120.16 1ozi n LEU 78 Ca 0.01 -5.21 -0.35 0.00 -0.03 0.00 0.00 56.01 50.43 1ozi n LEU 78 Cb 0.40 -1.05 -0.12 0.00 -2.33 0.00 0.00 43.42 40.33 1ozi n LEU 78 CO 0.62 1.68 -0.31 -1.61 -1.33 0.00 0.00 177.39 176.44 1ozi s GLU 79 N -1.86 3.71 -1.06 3.23 2.02 -1.26 -3.04 118.70 120.44 1ozi s GLU 79 Ca 0.31 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 1ozi s GLU 79 Cb -0.01 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1ozi s GLU 79 CO -0.06 0.05 0.22 0.41 0.02 0.00 0.00 175.26 175.91 1ozi n GLY 80 N 4.15 -0.13 3.79 -1.39 0.00 -1.26 -4.99 105.19 105.36 1ozi n GLY 80 Ca -0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.83 3.67 0.55 4.61 0.00 -1.26 -5.09 121.76 121.41 1ozi s ALA 81 Ca 0.11 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 1ozi s ALA 81 Cb -0.05 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1ozi s ALA 81 CO 0.14 0.53 0.93 -0.08 0.00 0.00 0.00 175.76 177.28 1ozi s THR 82 N -0.74 4.77 0.32 0.00 -1.32 -1.26 -4.82 115.64 112.59 1ozi s THR 82 Ca 0.13 0.66 0.07 0.00 -1.21 0.00 0.00 61.69 61.33 1ozi s THR 82 Cb -0.12 -3.85 0.31 0.00 -1.51 0.00 0.00 72.50 67.33 1ozi s THR 82 CO 0.03 -0.98 1.80 1.12 -2.21 0.00 0.00 174.62 174.38 1ozi h HIS 83 N 0.03 1.00 -0.94 9.09 2.07 -1.88 0.20 115.15 124.72 1ozi h HIS 83 Ca -0.45 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.09 1ozi h HIS 83 Cb 1.19 -0.31 -0.05 0.00 2.57 0.00 0.00 27.41 30.82 1ozi h HIS 83 CO 0.63 0.27 0.56 0.87 -3.07 0.00 0.00 177.93 177.19 1ozi h LYS 84 N 0.76 1.28 -0.29 5.12 1.57 -1.92 0.14 116.57 123.23 1ozi h LYS 84 Ca 0.54 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1ozi h LYS 84 Cb 0.86 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1ozi h LYS 84 CO -0.32 0.90 -0.06 1.96 -0.57 0.00 0.00 179.45 181.36 1ozi h GLN 85 N 1.30 0.56 0.00 3.15 1.08 -1.37 0.23 115.11 120.06 1ozi h GLN 85 Ca 0.34 -0.21 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1ozi h GLN 85 Cb -0.04 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1ozi h GLN 85 CO -0.06 0.75 -0.10 0.00 -0.95 0.00 0.00 178.83 178.46 1ozi h ALA 86 N 0.79 -0.12 -0.09 3.87 0.00 -0.87 -1.69 119.26 121.16 1ozi h ALA 86 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ozi h ALA 86 Cb 0.53 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ozi h ALA 86 CO 0.03 -0.60 -0.37 0.28 0.00 0.00 0.00 179.25 178.59 1ozi h VAL 87 N -0.18 1.29 -0.04 0.00 2.07 -0.57 -1.48 116.25 117.34 1ozi h VAL 87 Ca 0.04 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 1ozi h VAL 87 Cb 0.23 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1ozi h VAL 87 CO -0.10 0.41 -0.31 -0.33 0.02 0.00 0.00 177.57 177.26 1ozi h GLU 88 N 0.16 0.07 0.00 1.57 4.39 -0.21 0.28 114.58 120.84 1ozi h GLU 88 Ca 0.02 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 1ozi h GLU 88 Cb 0.74 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1ozi h GLU 88 CO 0.06 0.38 -0.68 1.15 -1.16 0.00 0.00 179.01 178.75 1ozi h THR 89 N 0.07 1.30 -0.06 1.13 2.02 -0.59 0.42 112.91 117.20 1ozi h THR 89 Ca 0.01 -2.49 -0.17 0.00 0.77 0.00 0.00 66.41 64.53 1ozi h THR 89 Cb 0.58 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1ozi h THR 89 CO 0.04 0.67 -0.71 -0.07 0.37 0.00 0.00 175.52 175.82 1ozi h LEU 90 N 0.00 0.34 -0.38 2.58 3.38 -0.16 -0.24 115.31 120.83 1ozi h LEU 90 Ca -0.01 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 1ozi h LEU 90 Cb 1.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1ozi h LEU 90 CO 0.09 0.94 -0.77 0.03 0.09 0.00 0.00 178.44 178.82 1ozi h ARG 91 N 0.20 0.00 -0.04 1.13 3.08 -0.37 -3.14 114.38 115.24 1ozi h ARG 91 Ca -0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1ozi h ARG 91 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1ozi h ARG 91 CO 0.11 0.77 -0.64 -0.97 -1.07 0.00 0.00 179.97 178.17 1ozi h ASN 92 N 0.00 0.18 -4.23 7.04 -1.24 -0.61 -3.44 115.58 113.28 1ozi h ASN 92 Ca -0.01 -0.11 -0.49 0.00 0.71 0.00 0.00 56.30 56.40 1ozi h ASN 92 Cb 1.40 -0.05 0.12 0.00 0.73 0.00 0.00 38.32 40.53 1ozi h ASN 92 CO 0.10 0.77 0.31 0.42 -1.29 0.00 0.00 177.43 177.74 1ozi s THR 93 N -3.64 3.11 0.00 -3.57 -4.23 -0.13 -5.06 115.64 102.12 1ozi s THR 93 Ca -0.03 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1ozi s THR 93 Cb 0.12 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1ozi s THR 93 CO 0.79 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1ozi n GLY 94 N -1.60 0.88 0.13 3.99 0.00 -1.26 -4.94 105.19 102.39 1ozi n GLY 94 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1ozi n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ozi n GLN 95 N 0.00 0.68 -3.44 1.61 7.27 -1.26 -4.75 117.38 117.49 1ozi n GLN 95 Ca 0.00 0.26 -0.43 0.00 0.07 0.00 0.00 57.00 56.90 1ozi n GLN 95 Cb 0.00 -1.63 -0.10 0.00 2.41 0.00 0.00 30.24 30.93 1ozi n GLN 95 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ozi s VAL 96 N -2.52 5.23 -0.27 1.69 1.01 -1.26 -0.73 120.40 123.55 1ozi s VAL 96 Ca -0.29 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1ozi s VAL 96 Cb 0.08 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1ozi s VAL 96 CO 0.66 -0.29 0.20 -0.69 0.00 0.00 0.00 175.10 174.98 1ozi s VAL 97 N 1.77 5.31 -0.66 2.92 1.01 0.61 -4.90 120.40 126.46 1ozi s VAL 97 Ca 0.07 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1ozi s VAL 97 Cb -0.18 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.75 1ozi s VAL 97 CO 0.11 0.27 0.87 -1.00 0.00 0.00 0.00 175.10 175.34 1ozi s HIS 98 N 1.58 2.87 -0.20 5.22 3.76 -1.25 -0.61 115.29 126.66 1ozi s HIS 98 Ca 0.08 -0.83 -0.09 0.00 -0.15 0.00 0.00 55.06 54.06 1ozi s HIS 98 Cb -0.15 -4.17 -0.05 0.00 1.11 0.00 0.00 32.58 29.32 1ozi s HIS 98 CO 0.09 -1.47 0.11 -1.17 -0.85 0.00 0.00 174.74 171.45 1ozi s LEU 99 N 3.27 4.08 -0.48 0.89 2.96 0.86 0.71 118.68 130.98 1ozi s LEU 99 Ca 0.18 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.02 1ozi s LEU 99 Cb -0.19 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.48 1ozi s LEU 99 CO 0.06 0.16 0.89 -0.22 -1.32 0.00 0.00 176.35 175.92 1ozi s LEU 100 N 0.45 4.10 0.34 -0.68 0.20 0.11 0.64 118.68 123.84 1ozi s LEU 100 Ca 0.06 -0.05 0.09 0.00 0.69 0.00 0.00 54.13 54.92 1ozi s LEU 100 Cb -0.12 -3.05 -0.05 0.00 -0.43 0.00 0.00 46.19 42.54 1ozi s LEU 100 CO -0.01 -1.05 0.03 -0.76 -0.29 0.00 0.00 176.35 174.27 1ozi s LEU 101 N 3.65 3.01 -0.03 -0.68 1.02 0.22 0.23 118.68 126.10 1ozi s LEU 101 Ca 0.33 -0.97 0.03 0.00 0.02 0.00 0.00 54.13 53.54 1ozi s LEU 101 Cb -0.11 -1.39 0.00 0.00 0.02 0.00 0.00 46.19 44.71 1ozi s LEU 101 CO 0.24 -0.25 -0.10 -0.70 0.02 0.00 0.00 176.35 175.56 1ozi s GLU 102 N -3.73 1.09 -0.12 1.70 2.12 -0.08 -0.53 118.70 119.15 1ozi s GLU 102 Ca 0.35 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 1ozi s GLU 102 Cb -0.00 -1.00 -0.08 0.00 0.26 0.00 0.00 34.13 33.31 1ozi s GLU 102 CO 0.20 0.13 2.10 1.17 -0.54 0.00 0.00 175.26 178.31 1ozi n LYS 103 N 3.28 2.25 -0.39 4.30 3.00 -0.45 -2.13 118.16 128.01 1ozi n LYS 103 Ca -0.18 0.73 0.09 0.00 -0.00 0.00 0.00 58.31 58.95 1ozi n LYS 103 Cb 0.54 -3.03 0.28 0.00 0.00 0.00 0.00 35.03 32.82 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 5.24 2.77 3.75 3.14 0.00 -1.26 -3.31 105.19 115.52 1ozi n GLY 104 Ca 0.26 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.37 4.22 0.55 1.61 -2.07 -1.25 -4.58 119.66 116.77 1ozi s GLN 105 Ca 0.42 2.39 -0.19 0.00 -1.82 0.00 0.00 55.36 56.15 1ozi s GLN 105 Cb 0.24 -3.08 -0.06 0.00 -1.09 0.00 0.00 33.01 29.03 1ozi s GLN 105 CO 0.24 -0.48 1.12 0.14 -1.32 0.00 0.00 175.29 175.00 1ozi s VAL 106 N -0.05 3.21 -2.00 3.63 -7.23 -1.26 -4.91 120.40 111.78 1ozi s VAL 106 Ca 0.60 0.74 0.16 0.00 -1.81 0.00 0.00 61.98 61.67 1ozi s VAL 106 Cb -0.44 -3.29 0.47 0.00 0.56 0.00 0.00 36.38 33.68 1ozi s VAL 106 CO 0.45 -0.18 1.39 -2.65 -0.31 0.00 0.00 175.10 173.80