#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 4.45 0.00 -1.58 0.02 -1.26 -2.87 135.00 133.76 1ozi s PRO 10 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1ozi s PRO 10 Cb 0.00 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1ozi s PRO 10 CO 0.00 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1ozi n GLY 11 N 2.05 0.76 3.59 0.52 0.00 0.04 -4.93 105.19 107.22 1ozi n GLY 11 Ca 0.04 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.56 4.56 0.13 1.61 2.15 -1.14 -4.78 116.67 116.64 1ozi s ASP 12 Ca 0.00 -0.25 -0.13 0.00 0.43 0.00 0.00 52.55 52.60 1ozi s ASP 12 Cb 0.00 -0.99 -0.07 0.00 -0.30 0.00 0.00 42.92 41.57 1ozi s ASP 12 CO 0.00 0.23 0.52 0.42 -0.17 0.00 0.00 175.17 176.17 1ozi s THR 13 N -1.11 4.91 -0.29 1.71 -4.23 -1.26 -0.91 115.64 114.45 1ozi s THR 13 Ca 0.20 0.75 -0.20 0.00 -1.18 0.00 0.00 61.69 61.26 1ozi s THR 13 Cb -0.11 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.15 1ozi s THR 13 CO 0.11 0.26 1.01 0.72 -0.54 0.00 0.00 174.62 176.17 1ozi s PHE 14 N -1.45 -0.53 -0.58 3.99 -0.71 0.57 -4.96 117.98 114.31 1ozi s PHE 14 Ca 0.37 1.14 -0.23 0.00 -1.04 0.00 0.00 56.93 57.17 1ozi s PHE 14 Cb -0.15 0.36 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1ozi s PHE 14 CO 0.19 -0.26 0.90 -1.21 -1.34 0.00 0.00 175.22 173.50 1ozi s GLU 15 N 0.85 3.23 0.27 1.99 2.02 -1.26 -1.03 118.70 124.78 1ozi s GLU 15 Ca -0.04 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 1ozi s GLU 15 Cb -0.04 -4.11 -0.09 0.00 0.10 0.00 0.00 34.13 29.98 1ozi s GLU 15 CO -0.12 -1.54 1.18 0.08 0.02 0.00 0.00 175.26 174.89 1ozi s VAL 16 N 3.77 3.28 -0.64 2.63 1.01 0.68 -4.70 120.40 126.42 1ozi s VAL 16 Ca 0.25 1.23 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 1ozi s VAL 16 Cb -0.15 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.61 1ozi s VAL 16 CO 0.15 0.27 0.55 -1.83 0.00 0.00 0.00 175.10 174.25 1ozi s GLU 17 N -1.26 3.04 -0.22 2.72 1.03 -1.26 -0.72 118.70 122.03 1ozi s GLU 17 Ca 0.48 -2.10 -0.09 0.00 0.03 0.00 0.00 54.97 53.29 1ozi s GLU 17 Cb -0.34 -4.19 -0.04 0.00 -0.80 0.00 0.00 34.13 28.76 1ozi s GLU 17 CO 0.43 -1.26 0.11 -1.17 -1.33 0.00 0.00 175.26 172.04 1ozi s LEU 18 N 0.82 3.88 -0.01 1.83 1.98 0.61 -4.87 118.68 122.92 1ozi s LEU 18 Ca 0.11 0.04 -0.07 0.00 -2.89 0.00 0.00 54.13 51.32 1ozi s LEU 18 Cb -0.21 -2.02 -0.05 0.00 0.66 0.00 0.00 46.19 44.58 1ozi s LEU 18 CO -0.03 0.09 0.26 0.00 -1.89 0.00 0.00 176.35 174.78 1ozi s ALA 19 N 0.91 3.84 -0.83 5.97 0.00 -1.26 -0.10 121.76 130.28 1ozi s ALA 19 Ca 0.06 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.21 1ozi s ALA 19 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1ozi s ALA 19 CO 0.03 0.63 1.82 0.15 0.00 0.00 0.00 175.76 178.39 1ozi s LYS 20 N -1.62 2.75 0.42 0.00 3.01 0.20 -4.73 119.74 119.77 1ozi s LYS 20 Ca 0.26 -0.17 0.13 0.00 -1.01 0.00 0.00 55.97 55.18 1ozi s LYS 20 Cb -0.13 -4.88 0.90 0.00 -1.01 0.00 0.00 37.83 32.70 1ozi s LYS 20 CO 0.14 -2.99 1.93 0.00 0.51 0.00 0.00 175.35 174.95 1ozi h THR 21 N 7.03 1.18 -2.17 2.17 1.03 -1.82 -3.45 112.91 116.88 1ozi h THR 21 Ca -0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1ozi h THR 21 Cb 1.05 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 1ozi h THR 21 CO 1.25 0.24 0.00 -0.67 -0.01 0.00 0.00 175.52 176.33 1ozi n ASP 22 N -4.25 0.71 -1.66 0.00 -0.08 -1.26 -5.00 116.55 105.01 1ozi n ASP 22 Ca -0.02 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.33 1ozi n ASP 22 Cb 0.30 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.12 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ozi n GLY 23 N 5.00 2.71 3.70 0.27 0.00 -1.26 -4.90 105.19 110.71 1ozi n GLY 23 Ca 0.00 -0.83 -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 -0.56 0.00 0.00 0.00 173.32 172.76 1ozi s SER 24 N -0.79 0.11 0.17 1.61 0.01 -1.26 -4.93 113.70 108.62 1ozi s SER 24 Ca 0.49 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 1ozi s SER 24 Cb 0.35 0.73 -0.06 0.00 0.21 0.00 0.00 66.02 67.24 1ozi s SER 24 CO 0.19 -1.41 0.43 -0.22 0.41 0.00 0.00 173.24 172.64 1ozi s LEU 25 N -3.06 4.23 -0.04 2.44 2.96 -1.26 -4.33 118.68 119.62 1ozi s LEU 25 Ca 0.19 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.77 1ozi s LEU 25 Cb -0.03 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 1ozi s LEU 25 CO 0.12 0.00 2.23 0.61 -1.32 0.00 0.00 176.35 178.00 1ozi n GLY 26 N -0.04 2.78 2.84 7.98 0.00 -1.26 -4.75 105.19 112.74 1ozi n GLY 26 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1ozi n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ozi s ILE 27 N -0.16 0.22 -0.24 -0.61 -4.36 -1.26 -0.42 121.20 114.36 1ozi s ILE 27 Ca 0.14 0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.45 1ozi s ILE 27 Cb 0.08 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.44 1ozi s ILE 27 CO -0.00 0.14 0.20 -0.55 0.24 0.00 0.00 174.94 174.97 1ozi s SER 28 N 0.88 6.14 0.16 4.36 0.15 0.11 -4.79 113.70 120.72 1ozi s SER 28 Ca -0.09 0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.81 1ozi s SER 28 Cb -0.13 -2.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 1ozi s SER 28 CO -0.01 0.03 -0.22 0.68 1.20 0.00 0.00 173.24 174.91 1ozi s VAL 29 N 1.21 2.52 0.31 4.45 -7.23 -1.26 0.77 120.40 121.17 1ozi s VAL 29 Ca 0.09 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1ozi s VAL 29 Cb -0.14 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1ozi s VAL 29 CO 0.06 -0.02 0.10 0.28 -0.31 0.00 0.00 175.10 175.20 1ozi s THR 30 N -1.42 0.74 -0.11 5.32 -1.32 0.72 -4.72 115.64 114.85 1ozi s THR 30 Ca 0.19 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.66 1ozi s THR 30 Cb -0.09 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1ozi s THR 30 CO 0.10 0.00 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.75 1ozi s VAL 31 N -3.51 3.68 -0.39 5.08 1.01 -1.26 -0.01 120.40 124.99 1ozi s VAL 31 Ca 0.35 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1ozi s VAL 31 Cb 0.07 -2.55 0.24 0.00 0.00 0.00 0.00 36.38 34.14 1ozi s VAL 31 CO 0.15 0.55 0.49 -0.11 0.00 0.00 0.00 175.10 176.18 1ozi n LEU 32 N 2.90 0.04 -0.53 3.92 0.00 0.16 -4.86 117.00 118.63 1ozi n LEU 32 Ca -0.18 -4.63 0.09 0.00 0.00 0.00 0.00 56.01 51.29 1ozi n LEU 32 Cb 0.53 0.63 0.20 0.00 0.00 0.00 0.00 43.42 44.78 1ozi n LEU 32 CO 0.30 2.03 0.65 0.33 0.00 0.00 0.00 177.39 180.70 1ozi n PHE 33 N 1.65 0.52 0.36 1.96 7.35 -1.26 -4.66 117.46 123.38 1ozi n PHE 33 Ca 0.22 -0.91 0.14 0.00 -0.76 0.00 0.00 57.45 56.14 1ozi n PHE 33 Cb 0.52 -0.23 0.48 0.00 0.35 0.00 0.00 39.48 40.60 1ozi n PHE 33 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1ozi h ASP 34 N 1.03 0.00 -0.35 -2.13 3.32 -1.94 -1.87 116.42 114.48 1ozi h ASP 34 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ozi h ASP 34 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ozi h ASP 34 CO 0.12 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.93 1ozi n LYS 35 N -2.74 2.30 -1.32 3.56 4.76 -1.26 -4.40 118.16 119.05 1ozi n LYS 35 Ca 0.03 -2.06 -0.26 0.00 -2.87 0.00 0.00 58.31 53.14 1ozi n LYS 35 Cb 0.36 -1.39 0.12 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.04 5.45 2.60 0.72 0.00 -0.70 -4.80 105.19 109.51 1ozi n GLY 36 Ca 0.15 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1ozi n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozi s GLY 37 N -2.04 0.98 0.00 -0.02 0.00 -1.26 -4.73 107.32 100.26 1ozi s GLY 37 Ca 0.58 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1ozi s GLY 37 CO 0.03 1.86 0.00 -0.62 0.00 0.00 0.00 173.10 174.37 1ozi n VAL 38 N 4.43 0.00 0.12 1.40 0.31 -1.26 -5.06 118.33 118.27 1ozi n VAL 38 Ca 0.04 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1ozi n VAL 38 Cb 0.39 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1ozi n VAL 38 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1ozi n ASN 39 N -2.01 -0.12 -4.51 4.52 5.15 -1.26 -5.10 115.26 111.93 1ozi n ASN 39 Ca 0.00 0.42 -0.27 0.00 -0.60 0.00 0.00 54.58 54.12 1ozi n ASN 39 Cb 0.00 0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 39.48 1ozi n ASN 39 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ozi s THR 40 N -2.00 2.90 -0.49 -0.44 -1.32 -1.26 -5.05 115.64 107.98 1ozi s THR 40 Ca 0.00 -1.71 -0.27 0.00 -1.21 0.00 0.00 61.69 58.49 1ozi s THR 40 Cb 0.00 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1ozi s THR 40 CO 0.00 -0.06 1.82 -0.44 -2.21 0.00 0.00 174.62 173.73 1ozi s SER 41 N -2.62 5.56 0.00 8.08 0.01 -1.26 -4.67 113.70 118.80 1ozi s SER 41 Ca 0.22 0.75 0.03 0.00 1.31 0.00 0.00 55.95 58.25 1ozi s SER 41 Cb -0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ozi s SER 41 CO 0.13 -2.07 0.39 1.33 0.41 0.00 0.00 173.24 173.42 1ozi n VAL 42 N 7.30 0.00 -4.34 3.43 0.24 -1.26 -4.96 118.33 118.73 1ozi n VAL 42 Ca 0.21 -0.48 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1ozi n VAL 42 Cb 0.50 1.03 -0.16 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.63 3.09 0.26 7.34 6.06 -1.26 -5.11 118.95 128.69 1ozi s ARG 43 Ca 0.02 -0.80 0.07 0.00 -2.50 0.00 0.00 55.73 52.52 1ozi s ARG 43 Cb 0.02 -2.59 -0.03 0.00 0.06 0.00 0.00 34.95 32.41 1ozi s ARG 43 CO 0.06 -0.11 0.22 -1.01 -2.50 0.00 0.00 175.30 171.97 1ozi s HIS 44 N 1.07 3.10 0.00 5.12 3.76 -1.26 -4.97 115.29 122.11 1ozi s HIS 44 Ca -0.01 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1ozi s HIS 44 Cb -0.14 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1ozi s HIS 44 CO -0.06 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 1ozi n GLY 45 N -1.22 0.52 0.00 -2.22 0.00 -1.26 -5.01 105.19 95.99 1ozi n GLY 45 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 1.98 3.66 -0.02 0.00 -1.26 -0.71 105.19 108.83 1ozi n GLY 46 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ozi n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozi s ILE 47 N -1.61 5.19 -0.07 -0.61 -1.09 -1.26 -0.67 121.20 121.09 1ozi s ILE 47 Ca 0.00 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1ozi s ILE 47 Cb 0.00 -3.39 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1ozi s ILE 47 CO 0.00 0.39 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.74 1ozi s TYR 48 N 0.79 0.99 -0.29 3.97 2.02 0.98 -1.47 117.35 124.34 1ozi s TYR 48 Ca 0.07 -0.37 -0.40 0.00 -0.37 0.00 0.00 57.07 56.00 1ozi s TYR 48 Cb -0.13 -0.90 -0.15 0.00 -0.40 0.00 0.00 41.96 40.38 1ozi s TYR 48 CO 0.02 -0.33 1.80 0.28 -1.57 0.00 0.00 175.55 175.76 1ozi n VAL 49 N 4.60 0.31 -0.03 0.71 0.31 -0.74 -0.20 118.33 123.28 1ozi n VAL 49 Ca -0.16 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 1ozi n VAL 49 Cb 0.50 -1.27 -0.14 0.00 -0.91 0.00 0.00 33.84 32.02 1ozi n VAL 49 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ozi n LYS 50 N 5.74 0.69 -3.67 5.55 4.81 0.23 0.31 118.16 131.83 1ozi n LYS 50 Ca 0.28 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1ozi n LYS 50 Cb 0.14 -1.69 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1ozi n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ozi s ALA 51 N -2.56 -1.40 -0.26 3.14 0.00 -0.56 -4.76 121.76 115.36 1ozi s ALA 51 Ca -0.16 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1ozi s ALA 51 Cb 0.07 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1ozi s ALA 51 CO 0.77 -0.92 0.01 0.42 0.00 0.00 0.00 175.76 176.04 1ozi s ILE 52 N -3.82 3.57 -0.18 0.00 -1.09 -1.26 0.07 121.20 118.50 1ozi s ILE 52 Ca 0.07 -0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 57.53 1ozi s ILE 52 Cb -0.04 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1ozi s ILE 52 CO -0.02 0.23 1.54 -0.63 -1.23 0.00 0.00 174.94 174.84 1ozi s ILE 53 N 1.46 3.80 -1.22 2.92 -1.09 0.44 -4.90 121.20 122.61 1ozi s ILE 53 Ca 0.03 0.93 -0.20 0.00 -2.23 0.00 0.00 60.65 59.18 1ozi s ILE 53 Cb -0.16 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1ozi s ILE 53 CO -0.01 -0.23 1.88 -2.65 -1.23 0.00 0.00 174.94 172.70 1ozi n PRO 54 N 7.35 2.42 0.00 2.79 -0.02 -1.26 -4.17 135.00 142.11 1ozi n PRO 54 Ca 0.17 -2.77 0.00 0.00 -2.02 0.00 0.00 63.50 58.88 1ozi n PRO 54 Cb 0.45 -3.50 0.00 0.00 -0.02 0.00 0.00 33.50 30.43 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 7.95 1.75 0.00 -0.52 4.01 -1.26 -5.05 118.16 125.04 1ozi n LYS 55 Ca 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 1ozi n LYS 55 Cb 0.45 -0.94 0.00 0.00 -0.51 0.00 0.00 35.03 34.03 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 2.36 0.97 0.00 0.72 0.00 -1.26 -4.88 105.19 103.11 1ozi n GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.08 0.12 4.61 0.00 -1.26 -4.62 120.51 120.45 1ozi n ALA 57 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ozi n ALA 57 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.68 0.07 0.00 0.00 -1.87 0.75 119.26 119.39 1ozi h ALA 58 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 1ozi h ALA 58 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ozi h ALA 58 CO 0.00 0.84 -1.35 1.49 0.00 0.00 0.00 179.25 180.23 1ozi h GLU 59 N 0.00 0.15 0.00 0.00 4.81 -1.82 0.17 114.58 117.89 1ozi h GLU 59 Ca -0.01 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.80 1ozi h GLU 59 Cb 1.37 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.83 1ozi h GLU 59 CO 0.09 1.03 -0.83 0.77 -0.73 0.00 0.00 179.01 179.33 1ozi h SER 60 N 0.04 0.00 -0.05 1.04 0.02 -1.81 -2.79 113.55 110.01 1ozi h SER 60 Ca -0.16 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.56 1ozi h SER 60 Cb 1.94 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.50 1ozi h SER 60 CO 0.15 0.69 -0.85 -0.78 -1.14 0.00 0.00 176.83 174.90 1ozi h ASP 61 N 0.00 0.82 -0.78 3.07 3.58 -0.91 -3.49 116.42 118.72 1ozi h ASP 61 Ca -0.04 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1ozi h ASP 61 Cb 1.56 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1ozi h ASP 61 CO 0.08 1.42 0.00 0.61 -2.88 0.00 0.00 179.24 178.47 1ozi n GLY 62 N 0.96 0.96 0.56 -0.78 0.00 0.55 -4.99 105.19 102.46 1ozi n GLY 62 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.41 0.00 -3.45 1.61 1.74 -1.00 -5.02 116.66 110.14 1ozi n ARG 63 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1ozi n ARG 63 Cb 0.40 -0.71 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.99 5.21 0.19 0.55 1.01 -1.24 -5.06 121.20 119.86 1ozi s ILE 64 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1ozi s ILE 64 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1ozi s ILE 64 CO 0.00 0.41 0.11 1.57 0.00 0.00 0.00 174.94 177.02 1ozi n HIS 65 N 3.24 -0.17 -2.40 3.97 -0.00 -1.26 -4.40 115.22 114.20 1ozi n HIS 65 Ca -0.11 -1.37 -0.42 0.00 0.46 0.00 0.00 57.72 56.29 1ozi n HIS 65 Cb 0.52 0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.43 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 -2.73 4.45 0.00 1.57 -2.85 -1.26 -2.54 119.74 116.37 1ozi s LYS 66 Ca 0.15 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 56.94 1ozi s LYS 66 Cb 0.01 -3.31 0.00 0.00 -2.06 0.00 0.00 37.83 32.47 1ozi s LYS 66 CO 0.11 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.76 1ozi n GLY 67 N 2.93 2.36 3.75 0.59 0.00 0.15 -4.89 105.19 110.09 1ozi n GLY 67 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.56 6.57 -0.27 1.61 1.01 -0.73 -4.47 116.67 118.83 1ozi s ASP 68 Ca 0.00 2.77 -0.24 0.00 0.71 0.00 0.00 52.55 55.80 1ozi s ASP 68 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1ozi s ASP 68 CO 0.00 -0.75 0.79 -0.13 0.21 0.00 0.00 175.17 175.29 1ozi s ARG 69 N -0.71 4.08 -0.45 8.23 0.52 -1.18 -1.79 118.95 127.65 1ozi s ARG 69 Ca 0.59 0.75 -0.20 0.00 -0.52 0.00 0.00 55.73 56.35 1ozi s ARG 69 Cb -0.43 -3.68 0.03 0.00 0.52 0.00 0.00 34.95 31.39 1ozi s ARG 69 CO 0.47 -0.58 0.59 0.08 0.02 0.00 0.00 175.30 175.89 1ozi s VAL 70 N 2.86 4.90 -0.09 3.52 1.01 -0.54 -1.83 120.40 130.22 1ozi s VAL 70 Ca 0.33 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1ozi s VAL 70 Cb -0.15 -4.19 -0.28 0.00 0.00 0.00 0.00 36.38 31.76 1ozi s VAL 70 CO 0.10 -0.62 0.55 -0.07 0.00 0.00 0.00 175.10 175.06 1ozi h LEU 71 N 9.56 0.47 -7.99 3.92 3.38 -1.14 -3.36 115.31 120.14 1ozi h LEU 71 Ca -0.26 -0.90 0.01 0.00 0.09 0.00 0.00 57.88 56.82 1ozi h LEU 71 Cb 1.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ozi h LEU 71 CO 0.89 1.73 0.28 0.00 0.09 0.00 0.00 178.44 181.43 1ozi s ALA 72 N -2.53 -0.87 -0.30 1.53 0.00 -0.47 -3.67 121.76 115.45 1ozi s ALA 72 Ca -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1ozi s ALA 72 Cb 0.05 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1ozi s ALA 72 CO 0.79 -1.00 0.06 0.54 0.00 0.00 0.00 175.76 176.16 1ozi s VAL 73 N -2.59 1.21 -1.18 0.00 0.11 0.11 0.27 120.40 118.33 1ozi s VAL 73 Ca 0.15 -1.49 -0.13 0.00 -2.93 0.00 0.00 61.98 57.57 1ozi s VAL 73 Cb -0.05 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.95 1ozi s VAL 73 CO 0.10 -0.55 0.76 -3.20 -3.33 0.00 0.00 175.10 168.88 1ozi n ASN 74 N 4.72 -4.26 0.00 3.54 5.15 0.13 -1.13 115.26 123.41 1ozi n ASN 74 Ca -0.03 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1ozi n ASN 74 Cb 0.43 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.97 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 -1.63 1.76 3.61 8.20 0.00 -1.26 -4.96 105.19 110.90 1ozi n GLY 75 Ca -0.15 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.37 3.82 -0.39 1.61 1.01 -0.28 -4.94 120.40 120.86 1ozi s VAL 76 Ca 0.00 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 1ozi s VAL 76 Cb 0.00 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1ozi s VAL 76 CO 0.00 -0.57 1.04 -0.94 0.00 0.00 0.00 175.10 174.63 1ozi s SER 77 N 4.24 6.74 -0.87 3.32 1.04 -1.26 0.07 113.70 126.98 1ozi s SER 77 Ca 0.66 0.67 -0.20 0.00 0.48 0.00 0.00 55.95 57.56 1ozi s SER 77 Cb -0.18 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.54 1ozi s SER 77 CO 0.31 -1.00 1.11 -1.48 0.98 0.00 0.00 173.24 173.16 1ozi s LEU 78 N 3.85 4.74 -0.39 2.42 2.34 -1.24 -4.97 118.68 125.42 1ozi s LEU 78 Ca 0.43 -1.71 -0.14 0.00 0.06 0.00 0.00 54.13 52.77 1ozi s LEU 78 Cb -0.10 -2.42 0.01 0.00 -0.56 0.00 0.00 46.19 43.12 1ozi s LEU 78 CO 0.22 -1.20 0.27 -1.61 -1.06 0.00 0.00 176.35 172.96 1ozi s GLU 79 N 3.26 3.03 -1.26 1.48 2.02 -1.26 -4.29 118.70 121.68 1ozi s GLU 79 Ca 0.31 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1ozi s GLU 79 Cb -0.08 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.27 1ozi s GLU 79 CO -0.04 -0.68 1.06 0.41 0.02 0.00 0.00 175.26 176.03 1ozi n GLY 80 N 5.11 -0.43 3.94 -1.39 0.00 0.11 -4.94 105.19 107.59 1ozi n GLY 80 Ca -0.12 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.35 3.55 0.34 4.61 0.00 -1.26 -5.06 121.76 120.59 1ozi s ALA 81 Ca 0.22 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 1ozi s ALA 81 Cb -0.10 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.58 1ozi s ALA 81 CO 0.73 -0.78 0.95 0.95 0.00 0.00 0.00 175.76 177.61 1ozi s THR 82 N -2.87 4.20 0.35 0.00 -4.23 -1.26 -4.83 115.64 107.00 1ozi s THR 82 Ca 0.55 1.76 0.10 0.00 -1.18 0.00 0.00 61.69 62.92 1ozi s THR 82 Cb -0.10 -3.95 0.33 0.00 1.34 0.00 0.00 72.50 70.11 1ozi s THR 82 CO 0.41 0.09 1.84 1.12 -0.54 0.00 0.00 174.62 177.55 1ozi h HIS 83 N 3.01 0.83 0.05 3.99 2.07 -1.88 0.20 115.15 123.43 1ozi h HIS 83 Ca -0.47 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.10 1ozi h HIS 83 Cb 1.19 -0.26 -0.04 0.00 2.57 0.00 0.00 27.41 30.87 1ozi h HIS 83 CO 0.61 0.27 -0.27 -0.22 -3.07 0.00 0.00 177.93 175.25 1ozi h LYS 84 N 0.67 -0.43 0.00 5.12 3.64 -1.91 -1.30 116.57 122.35 1ozi h LYS 84 Ca 0.48 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.78 1ozi h LYS 84 Cb 0.84 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1ozi h LYS 84 CO -0.24 -0.29 -0.54 -0.56 -2.27 0.00 0.00 179.45 175.55 1ozi h GLN 85 N -0.45 0.00 -0.05 1.90 -0.00 -1.56 0.14 115.11 115.10 1ozi h GLN 85 Ca 0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.73 1ozi h GLN 85 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.95 1ozi h GLN 85 CO -0.20 0.54 -0.15 0.00 -0.00 0.00 0.00 178.83 179.02 1ozi h ALA 86 N 1.46 -0.14 0.00 0.06 0.00 -0.42 0.20 119.26 120.41 1ozi h ALA 86 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ozi h ALA 86 Cb 1.04 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ozi h ALA 86 CO 0.07 -0.63 -0.36 0.28 0.00 0.00 0.00 179.25 178.61 1ozi h VAL 87 N -0.23 1.11 -0.42 0.00 2.07 -0.77 -1.55 116.25 116.46 1ozi h VAL 87 Ca 0.07 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1ozi h VAL 87 Cb 0.32 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ozi h VAL 87 CO -0.18 0.36 0.01 -0.33 0.02 0.00 0.00 177.57 177.45 1ozi h GLU 88 N 0.00 0.67 -0.12 1.57 4.39 0.15 0.18 114.58 121.42 1ozi h GLU 88 Ca -0.00 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1ozi h GLU 88 Cb 0.71 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1ozi h GLU 88 CO 0.05 0.68 -0.41 1.15 -1.16 0.00 0.00 179.01 179.32 1ozi h THR 89 N 0.63 1.31 0.00 1.13 2.02 0.30 0.20 112.91 118.50 1ozi h THR 89 Ca 0.13 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.78 1ozi h THR 89 Cb 0.38 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ozi h THR 89 CO 0.01 0.46 0.00 -0.07 0.37 0.00 0.00 175.52 176.29 1ozi h LEU 90 N 0.22 0.00 -0.70 2.58 3.38 -0.31 -0.93 115.31 119.55 1ozi h LEU 90 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ozi h LEU 90 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ozi h LEU 90 CO 0.07 0.00 -0.53 0.54 0.09 0.00 0.00 178.44 178.61 1ozi n ARG 91 N -3.05 1.32 0.09 1.13 1.74 -0.11 -4.15 116.66 113.62 1ozi n ARG 91 Ca 0.01 -0.67 0.10 0.00 -0.77 0.00 0.00 57.85 56.52 1ozi n ARG 91 Cb 0.35 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1ozi n ARG 91 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ozi n ASN 92 N -0.43 0.83 -4.83 0.55 5.15 0.64 -4.88 115.26 112.29 1ozi n ASN 92 Ca 0.07 0.33 -0.27 0.00 -0.60 0.00 0.00 54.58 54.10 1ozi n ASN 92 Cb 0.37 0.44 0.09 0.00 -0.53 0.00 0.00 39.78 40.16 1ozi n ASN 92 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ozi s THR 93 N -3.30 2.14 0.00 -0.44 -4.23 -0.44 -5.05 115.64 104.32 1ozi s THR 93 Ca -0.01 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1ozi s THR 93 Cb 0.09 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1ozi s THR 93 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 1ozi n GLY 94 N -3.16 1.17 0.24 3.99 0.00 -1.26 -4.95 105.19 101.23 1ozi n GLY 94 Ca 0.09 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 1ozi n GLY 94 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ozi h GLN 95 N 0.00 0.65 -5.00 1.61 3.07 -1.96 -3.40 115.11 110.07 1ozi h GLN 95 Ca 0.00 -0.31 -0.67 0.00 0.09 0.00 0.00 58.65 57.76 1ozi h GLN 95 Cb 0.00 -0.00 -0.32 0.00 0.08 0.00 0.00 27.48 27.23 1ozi h GLN 95 CO 0.00 0.91 -0.79 0.08 0.09 0.00 0.00 178.83 179.12 1ozi s VAL 96 N -4.35 2.65 -0.20 1.86 1.01 -1.26 0.61 120.40 120.71 1ozi s VAL 96 Ca -0.08 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1ozi s VAL 96 Cb 0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ozi s VAL 96 CO 0.83 0.42 0.12 -0.69 0.00 0.00 0.00 175.10 175.78 1ozi s VAL 97 N 1.35 5.32 -0.31 2.92 1.01 0.85 -4.88 120.40 126.67 1ozi s VAL 97 Ca 0.04 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1ozi s VAL 97 Cb -0.14 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1ozi s VAL 97 CO -0.08 0.44 0.48 -1.00 0.00 0.00 0.00 175.10 174.94 1ozi s HIS 98 N 0.35 3.22 -0.07 5.22 3.76 -1.25 -0.29 115.29 126.22 1ozi s HIS 98 Ca 0.07 0.32 0.05 0.00 -0.15 0.00 0.00 55.06 55.35 1ozi s HIS 98 Cb -0.11 -2.79 -0.01 0.00 1.11 0.00 0.00 32.58 30.78 1ozi s HIS 98 CO -0.02 -0.41 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.06 1ozi s LEU 99 N 2.28 2.05 -0.40 0.89 2.96 0.10 0.17 118.68 126.74 1ozi s LEU 99 Ca 0.18 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.36 1ozi s LEU 99 Cb -0.16 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1ozi s LEU 99 CO 0.12 0.20 0.70 -0.22 -1.32 0.00 0.00 176.35 175.82 1ozi s LEU 100 N 0.07 4.28 0.31 -0.68 2.96 0.14 -0.23 118.68 125.53 1ozi s LEU 100 Ca -0.10 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1ozi s LEU 100 Cb -0.15 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1ozi s LEU 100 CO 0.06 -0.74 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.54 1ozi s LEU 101 N 2.94 2.55 -0.06 -0.68 1.02 -0.19 -0.62 118.68 123.64 1ozi s LEU 101 Ca 0.27 -1.22 0.01 0.00 0.02 0.00 0.00 54.13 53.21 1ozi s LEU 101 Cb -0.14 -0.73 0.02 0.00 0.02 0.00 0.00 46.19 45.37 1ozi s LEU 101 CO 0.18 -0.33 -0.08 -0.70 0.02 0.00 0.00 176.35 175.44 1ozi s GLU 102 N -3.71 1.24 -0.41 1.70 2.12 -0.76 -0.32 118.70 118.56 1ozi s GLU 102 Ca 0.31 -0.23 -0.39 0.00 0.36 0.00 0.00 54.97 55.02 1ozi s GLU 102 Cb 0.04 -1.16 -0.15 0.00 0.26 0.00 0.00 34.13 33.13 1ozi s GLU 102 CO 0.14 -0.08 2.17 1.63 -0.54 0.00 0.00 175.26 178.58 1ozi n LYS 103 N 4.13 0.63 -3.96 4.30 4.76 -0.09 -3.11 118.16 124.83 1ozi n LYS 103 Ca -0.21 0.17 -0.30 0.00 -2.87 0.00 0.00 58.31 55.09 1ozi n LYS 103 Cb 0.51 -2.06 -0.14 0.00 -1.84 0.00 0.00 35.03 31.50 1ozi n LYS 103 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ozi s GLY 104 N 6.76 2.37 0.00 0.72 0.00 -1.26 -0.78 107.32 115.13 1ozi s GLY 104 Ca 1.14 -3.16 0.23 0.00 0.00 0.00 0.00 44.72 42.93 1ozi s GLY 104 CO 0.56 1.00 1.18 0.61 0.00 0.00 0.00 173.10 176.45 1ozi n GLN 105 N 3.28 0.18 -3.81 2.90 10.64 -1.26 -1.78 117.38 127.53 1ozi n GLN 105 Ca 0.05 -0.13 -0.12 0.00 -1.83 0.00 0.00 57.00 54.97 1ozi n GLN 105 Cb 0.34 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.10 1ozi n GLN 105 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1ozi s VAL 106 N -2.91 -0.00 -2.32 -0.39 -7.23 -1.26 -4.97 120.40 101.31 1ozi s VAL 106 Ca 0.12 0.00 0.29 0.00 -1.81 0.00 0.00 61.98 60.58 1ozi s VAL 106 Cb 0.17 -0.25 0.68 0.00 0.56 0.00 0.00 36.38 37.54 1ozi s VAL 106 CO 0.75 0.00 1.92 -0.81 -0.31 0.00 0.00 175.10 176.65