#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 3.10 0.00 -1.58 0.04 -1.26 -1.41 135.00 133.89 1ozi s PRO 10 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ozi s PRO 10 Cb 0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1ozi s PRO 10 CO 0.00 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1ozi n GLY 11 N 5.66 1.25 3.71 0.56 0.00 -1.26 -5.09 105.19 110.01 1ozi n GLY 11 Ca 0.27 0.00 -0.42 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 -1.34 7.34 -0.35 1.61 -1.08 -0.50 -4.89 116.67 117.45 1ozi s ASP 12 Ca 0.00 1.65 -0.14 0.00 -0.52 0.00 0.00 52.55 53.54 1ozi s ASP 12 Cb 0.00 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1ozi s ASP 12 CO 0.00 -0.29 0.30 0.42 0.52 0.00 0.00 175.17 176.11 1ozi s THR 13 N 1.15 5.23 -0.37 1.71 -4.23 -1.26 -1.87 115.64 116.01 1ozi s THR 13 Ca 0.52 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1ozi s THR 13 Cb -0.21 -3.79 0.06 0.00 1.34 0.00 0.00 72.50 69.90 1ozi s THR 13 CO 0.27 -0.09 0.15 0.72 -0.54 0.00 0.00 174.62 175.12 1ozi s PHE 14 N 1.84 3.32 -0.15 3.99 -0.71 0.12 -4.90 117.98 121.49 1ozi s PHE 14 Ca 0.08 -1.62 -0.29 0.00 -1.04 0.00 0.00 56.93 54.06 1ozi s PHE 14 Cb -0.17 -2.57 -0.05 0.00 -1.21 0.00 0.00 43.02 39.03 1ozi s PHE 14 CO 0.11 -0.80 1.79 -1.21 -1.34 0.00 0.00 175.22 173.78 1ozi s GLU 15 N 1.36 3.80 -0.09 1.99 2.02 -1.26 -1.16 118.70 125.37 1ozi s GLU 15 Ca 0.01 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.99 1ozi s GLU 15 Cb -0.21 -4.11 -0.03 0.00 0.10 0.00 0.00 34.13 29.88 1ozi s GLU 15 CO 0.01 -1.30 -0.07 0.54 0.02 0.00 0.00 175.26 174.46 1ozi s VAL 16 N 5.42 3.63 -0.27 2.63 0.11 0.11 -4.96 120.40 127.08 1ozi s VAL 16 Ca 0.80 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 59.29 1ozi s VAL 16 Cb -0.31 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 1ozi s VAL 16 CO 0.33 0.57 0.08 -1.61 -3.33 0.00 0.00 175.10 171.14 1ozi s GLU 17 N -0.49 3.39 -0.16 1.54 8.01 -1.26 -0.45 118.70 129.28 1ozi s GLU 17 Ca 0.07 -0.66 0.01 0.00 0.01 0.00 0.00 54.97 54.40 1ozi s GLU 17 Cb -0.12 -3.36 0.01 0.00 -4.31 0.00 0.00 34.13 26.35 1ozi s GLU 17 CO 0.02 -0.31 -0.17 -1.17 0.01 0.00 0.00 175.26 173.63 1ozi s LEU 18 N 1.57 2.33 -0.28 1.80 1.98 0.11 -4.94 118.68 121.24 1ozi s LEU 18 Ca 0.05 -0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 50.61 1ozi s LEU 18 Cb -0.16 -1.52 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 1ozi s LEU 18 CO 0.03 0.06 0.31 0.00 -1.89 0.00 0.00 176.35 174.86 1ozi s ALA 19 N 0.95 3.54 0.25 5.97 0.00 -1.26 -0.16 121.76 131.05 1ozi s ALA 19 Ca -0.03 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 1ozi s ALA 19 Cb -0.15 -2.64 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 1ozi s ALA 19 CO -0.03 -0.67 1.67 1.63 0.00 0.00 0.00 175.76 178.35 1ozi n LYS 20 N 5.24 2.76 0.28 0.00 5.02 0.12 -4.55 118.16 127.02 1ozi n LYS 20 Ca -0.11 0.99 -0.14 0.00 -2.02 0.00 0.00 58.31 57.03 1ozi n LYS 20 Cb 0.51 -2.81 -0.07 0.00 -0.02 0.00 0.00 35.03 32.64 1ozi n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ozi h THR 21 N 3.60 0.25 0.00 -0.18 1.03 -1.89 -3.48 112.91 112.24 1ozi h THR 21 Ca -0.45 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 1ozi h THR 21 Cb 1.21 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1ozi h THR 21 CO 0.88 0.04 0.00 -0.90 -0.01 0.00 0.00 175.52 175.53 1ozi n ASP 22 N -5.30 -0.08 -2.61 0.00 5.75 -1.26 -4.95 116.55 108.10 1ozi n ASP 22 Ca -0.11 0.03 -0.30 0.00 -0.01 0.00 0.00 54.79 54.40 1ozi n ASP 22 Cb 0.33 0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.70 1ozi n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ozi n GLY 23 N -1.25 4.63 7.00 6.12 0.00 -1.26 -4.98 105.19 115.45 1ozi n GLY 23 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 0.59 -1.66 -4.77 1.61 2.88 -1.26 -4.80 113.62 106.22 1ozi n SER 24 Ca 0.50 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.65 1ozi n SER 24 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 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 4.25 -0.32 2.46 1.43 -1.26 -3.33 118.68 121.91 1ozi s LEU 25 Ca 0.00 2.67 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1ozi s LEU 25 Cb 0.00 -3.86 0.37 0.00 0.03 0.00 0.00 46.19 42.73 1ozi s LEU 25 CO 0.00 -0.81 1.71 0.61 0.23 0.00 0.00 176.35 178.09 1ozi n GLY 26 N 0.68 3.87 2.92 -3.19 0.00 -1.25 -4.79 105.19 103.44 1ozi n GLY 26 Ca 0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.34 0.45 -0.49 -0.61 -4.36 -1.26 -0.24 121.20 112.35 1ozi s ILE 27 Ca 0.37 -0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 60.46 1ozi s ILE 27 Cb 0.30 -0.44 0.11 0.00 1.25 0.00 0.00 42.46 43.68 1ozi s ILE 27 CO 0.05 0.17 0.41 -0.55 0.24 0.00 0.00 174.94 175.25 1ozi s SER 28 N 0.36 6.00 0.38 4.36 0.15 0.10 -4.87 113.70 120.19 1ozi s SER 28 Ca -0.04 -1.65 -0.02 0.00 0.70 0.00 0.00 55.95 54.94 1ozi s SER 28 Cb -0.08 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1ozi s SER 28 CO -0.00 -0.72 0.62 0.68 1.20 0.00 0.00 173.24 175.01 1ozi s VAL 29 N 1.54 5.04 0.23 4.45 -7.23 -1.26 0.28 120.40 123.45 1ozi s VAL 29 Ca 0.04 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1ozi s VAL 29 Cb -0.27 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 32.78 1ozi s VAL 29 CO 0.03 -0.63 0.18 0.28 -0.31 0.00 0.00 175.10 174.66 1ozi s THR 30 N -2.42 0.00 -0.08 5.32 -1.32 0.10 -4.72 115.64 112.53 1ozi s THR 30 Ca 0.42 -1.97 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 1ozi s THR 30 Cb -0.10 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 1ozi s THR 30 CO 0.38 0.00 -0.12 0.54 -2.21 0.00 0.00 174.62 173.21 1ozi s VAL 31 N -3.98 3.21 -0.71 5.08 0.11 -1.26 -1.04 120.40 121.81 1ozi s VAL 31 Ca 0.39 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1ozi s VAL 31 Cb 0.06 -2.30 0.17 0.00 -1.53 0.00 0.00 36.38 32.78 1ozi s VAL 31 CO 0.15 0.57 0.51 -0.76 -3.33 0.00 0.00 175.10 172.25 1ozi s LEU 32 N -0.41 4.95 -0.35 2.54 2.01 0.52 -4.93 118.68 123.01 1ozi s LEU 32 Ca 0.05 -3.57 0.02 0.00 0.01 0.00 0.00 54.13 50.63 1ozi s LEU 32 Cb -0.12 -1.72 0.10 0.00 0.01 0.00 0.00 46.19 44.45 1ozi s LEU 32 CO 0.02 -0.16 0.09 0.12 1.01 0.00 0.00 176.35 177.42 1ozi s PHE 33 N -1.08 3.67 -0.02 0.29 5.36 -1.26 -4.61 117.98 120.32 1ozi s PHE 33 Ca 0.23 -2.75 -0.04 0.00 -0.96 0.00 0.00 56.93 53.41 1ozi s PHE 33 Cb -0.11 -2.93 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 1ozi s PHE 33 CO -0.11 -0.95 0.10 0.34 -1.46 0.00 0.00 175.22 173.14 1ozi s ASP 34 N 1.20 -0.04 -0.02 6.13 -1.08 -1.26 -5.03 116.67 116.57 1ozi s ASP 34 Ca 0.08 0.02 0.03 0.00 -0.52 0.00 0.00 52.55 52.17 1ozi s ASP 34 Cb -0.20 0.21 0.05 0.00 -1.46 0.00 0.00 42.92 41.52 1ozi s ASP 34 CO -0.06 -0.16 0.88 0.29 0.52 0.00 0.00 175.17 176.64 1ozi n LYS 35 N 2.42 0.57 0.00 4.34 5.02 -1.26 -4.73 118.16 124.52 1ozi n LYS 35 Ca -0.17 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 1ozi n LYS 35 Cb 0.58 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.31 0.00 0.13 0.72 0.00 -1.26 -4.87 105.19 99.61 1ozi n GLY 36 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 1.85 -0.44 3.50 -0.02 0.00 -1.26 -4.68 105.19 104.15 1ozi n GLY 37 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1ozi n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ozi s VAL 38 N -2.53 4.35 -0.00 1.61 -7.23 -1.26 -4.59 120.40 110.74 1ozi s VAL 38 Ca -0.30 -1.25 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 1ozi s VAL 38 Cb 0.08 -4.92 -0.02 0.00 0.56 0.00 0.00 36.38 32.08 1ozi s VAL 38 CO 0.66 -1.72 -0.08 0.59 -0.31 0.00 0.00 175.10 174.24 1ozi n ASN 39 N 7.63 1.01 0.10 4.85 3.02 -1.26 -4.73 115.26 125.88 1ozi n ASN 39 Ca 0.29 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.82 1ozi n ASN 39 Cb 0.50 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 39.18 1ozi n ASN 39 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1ozi h THR 40 N -0.23 1.42 -3.23 3.41 1.35 -1.98 -3.40 112.91 110.25 1ozi h THR 40 Ca -0.06 -2.98 -0.62 0.00 -0.55 0.00 0.00 66.41 62.19 1ozi h THR 40 Cb 0.56 2.92 -0.13 0.00 -1.73 0.00 0.00 68.15 69.77 1ozi h THR 40 CO -0.04 0.87 0.47 -0.44 -0.25 0.00 0.00 175.52 176.14 1ozi s SER 41 N -7.16 6.32 -0.03 5.36 0.01 -1.26 -5.01 113.70 111.94 1ozi s SER 41 Ca -0.05 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.58 1ozi s SER 41 Cb 0.07 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1ozi s SER 41 CO 0.88 -1.16 0.56 0.68 0.41 0.00 0.00 173.24 174.61 1ozi s VAL 42 N 3.70 4.98 -0.59 3.43 -7.23 -1.26 -4.58 120.40 118.85 1ozi s VAL 42 Ca 0.28 1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 61.34 1ozi s VAL 42 Cb -0.14 -3.89 0.03 0.00 0.56 0.00 0.00 36.38 32.95 1ozi s VAL 42 CO 0.18 0.41 1.12 0.00 -0.31 0.00 0.00 175.10 176.50 1ozi s ARG 43 N -0.10 3.42 0.31 4.82 1.70 -1.26 -4.86 118.95 122.98 1ozi s ARG 43 Ca 0.29 0.03 0.24 0.00 -0.47 0.00 0.00 55.73 55.82 1ozi s ARG 43 Cb -0.17 -4.04 0.39 0.00 -0.57 0.00 0.00 34.95 30.55 1ozi s ARG 43 CO 0.16 -1.66 1.51 0.45 -1.08 0.00 0.00 175.30 174.68 1ozi h HIS 44 N 9.51 0.00 -3.56 5.89 3.86 -1.95 -3.46 115.15 125.45 1ozi h HIS 44 Ca -0.26 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.61 1ozi h HIS 44 Cb 1.06 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.39 1ozi h HIS 44 CO 1.00 0.00 -0.64 0.20 0.86 0.00 0.00 177.93 179.35 1ozi s GLY 45 N -4.03 1.53 -0.18 2.45 0.00 -1.26 -4.96 107.32 100.88 1ozi s GLY 45 Ca 0.06 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1ozi s GLY 45 CO 0.68 -1.61 -0.16 0.61 0.00 0.00 0.00 173.10 172.62 1ozi n GLY 46 N -0.39 -0.25 3.61 0.20 0.00 -1.18 -4.85 105.19 102.33 1ozi n GLY 46 Ca -0.04 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.35 3.84 0.04 -0.61 -1.09 -1.15 -0.35 121.20 119.52 1ozi s ILE 47 Ca -0.24 -0.54 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1ozi s ILE 47 Cb 0.06 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1ozi s ILE 47 CO 0.40 0.51 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.24 1ozi s TYR 48 N -0.91 0.63 -0.23 3.97 1.51 -0.20 0.16 117.35 122.27 1ozi s TYR 48 Ca 0.15 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 1ozi s TYR 48 Cb -0.11 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 1ozi s TYR 48 CO 0.04 -0.08 1.28 0.08 -1.11 0.00 0.00 175.55 175.77 1ozi s VAL 49 N -1.23 4.21 -0.05 0.71 1.01 -0.83 0.00 120.40 124.23 1ozi s VAL 49 Ca -0.09 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1ozi s VAL 49 Cb -0.09 -4.08 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 1ozi s VAL 49 CO 0.00 -0.31 0.64 0.50 0.00 0.00 0.00 175.10 175.94 1ozi h LYS 50 N 8.77 0.13 -2.78 2.72 3.64 -0.46 0.23 116.57 128.82 1ozi h LYS 50 Ca -0.26 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1ozi h LYS 50 Cb 1.10 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 1ozi h LYS 50 CO 1.00 0.86 0.17 0.00 -2.27 0.00 0.00 179.45 179.21 1ozi s ALA 51 N -2.60 -1.57 -0.25 5.00 0.00 -0.50 -4.73 121.76 117.11 1ozi s ALA 51 Ca -0.10 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 1ozi s ALA 51 Cb 0.07 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1ozi s ALA 51 CO 0.81 -0.65 0.07 0.42 0.00 0.00 0.00 175.76 176.42 1ozi s ILE 52 N -3.05 4.35 -0.08 0.00 -1.09 -1.26 0.02 121.20 120.09 1ozi s ILE 52 Ca -0.02 -0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 57.94 1ozi s ILE 52 Cb -0.01 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1ozi s ILE 52 CO -0.07 0.34 1.21 -0.63 -1.23 0.00 0.00 174.94 174.57 1ozi s ILE 53 N 1.55 4.26 -1.13 2.92 -1.09 0.66 -4.91 121.20 123.45 1ozi s ILE 53 Ca 0.06 1.57 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 1ozi s ILE 53 Cb -0.15 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1ozi s ILE 53 CO 0.04 -0.03 1.04 -0.81 -1.23 0.00 0.00 174.94 173.95 1ozi n PRO 54 N 5.45 0.01 0.22 2.79 -0.04 -1.26 -2.31 135.00 139.87 1ozi n PRO 54 Ca 0.11 0.39 0.06 0.00 -0.04 0.00 0.00 63.50 64.03 1ozi n PRO 54 Cb 0.46 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.93 1ozi n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ozi h LYS 55 N 0.00 0.00 0.00 0.54 6.56 -1.92 -3.49 116.57 118.26 1ozi h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ozi h LYS 55 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1ozi h LYS 55 CO 0.00 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.03 1ozi n GLY 56 N -0.71 0.51 5.80 3.86 0.00 -0.98 -4.94 105.19 108.73 1ozi n GLY 56 Ca -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.08 4.61 0.00 -1.26 -3.07 120.51 119.87 1ozi n ALA 57 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ozi n ALA 57 Cb 0.00 0.00 -0.06 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 -0.20 0.48 0.10 0.00 0.00 -1.85 -1.62 119.26 116.17 1ozi h ALA 58 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 53.92 1ozi h ALA 58 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ozi h ALA 58 CO 0.00 1.12 -0.75 1.49 0.00 0.00 0.00 179.25 181.12 1ozi h GLU 59 N 0.00 0.33 -0.24 0.00 4.81 -1.77 -0.58 114.58 117.12 1ozi h GLU 59 Ca -0.01 -0.49 -0.19 0.00 -0.13 0.00 0.00 59.36 58.54 1ozi h GLU 59 Cb 1.63 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1ozi h GLU 59 CO 0.12 1.20 -0.59 0.66 -0.73 0.00 0.00 179.01 179.67 1ozi h SER 60 N -0.31 0.93 -0.27 1.04 4.64 -1.73 -2.76 113.55 115.09 1ozi h SER 60 Ca -0.12 -0.56 -0.17 0.00 -0.47 0.00 0.00 61.79 60.46 1ozi h SER 60 Cb 1.55 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ozi h SER 60 CO 0.14 1.33 -0.48 -0.78 -0.87 0.00 0.00 176.83 176.17 1ozi h ASP 61 N 0.57 0.92 -3.59 4.97 1.82 -1.44 -3.48 116.42 116.21 1ozi h ASP 61 Ca -0.01 -0.47 -0.02 0.00 -0.39 0.00 0.00 57.03 56.15 1ozi h ASP 61 Cb 1.21 -0.26 0.02 0.00 0.68 0.00 0.00 39.33 40.97 1ozi h ASP 61 CO 0.13 1.25 -0.07 0.61 -1.61 0.00 0.00 179.24 179.55 1ozi n GLY 62 N 0.25 -0.22 0.00 -0.78 0.00 -0.27 -5.02 105.19 99.14 1ozi n GLY 62 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ozi n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ozi n ARG 63 N -1.43 0.06 -3.98 1.61 1.85 -0.92 -5.04 116.66 108.81 1ozi n ARG 63 Ca -0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 1ozi n ARG 63 Cb 0.51 -0.59 -0.07 0.00 -1.05 0.00 0.00 32.46 31.27 1ozi n ARG 63 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ozi s ILE 64 N -1.18 5.24 0.31 8.89 1.01 -1.24 -5.10 121.20 129.13 1ozi s ILE 64 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1ozi s ILE 64 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1ozi s ILE 64 CO 0.00 0.56 0.13 -1.38 0.00 0.00 0.00 174.94 174.25 1ozi s HIS 65 N -1.06 1.66 0.36 3.97 -3.43 -1.26 -4.53 115.29 111.01 1ozi s HIS 65 Ca 0.17 -1.26 -0.14 0.00 -0.80 0.00 0.00 55.06 53.03 1ozi s HIS 65 Cb -0.12 -0.97 -0.08 0.00 -1.43 0.00 0.00 32.58 29.98 1ozi s HIS 65 CO 0.06 -0.38 0.76 -1.59 -2.00 0.00 0.00 174.74 171.59 1ozi s LYS 66 N -3.86 3.93 0.00 -0.38 -2.85 -1.26 -3.85 119.74 111.47 1ozi s LYS 66 Ca 0.34 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 55.93 1ozi s LYS 66 Cb 0.06 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.42 1ozi s LYS 66 CO 0.16 0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.10 1ozi n GLY 67 N -0.70 3.29 3.83 0.59 0.00 0.80 -5.00 105.19 107.99 1ozi n GLY 67 Ca 0.03 0.00 -0.33 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 -1.12 6.56 -0.07 1.61 1.11 -1.25 -4.33 116.67 119.18 1ozi s ASP 68 Ca 0.00 1.67 -0.17 0.00 0.18 0.00 0.00 52.55 54.23 1ozi s ASP 68 Cb 0.00 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 1ozi s ASP 68 CO 0.00 -0.63 0.45 -0.60 1.18 0.00 0.00 175.17 175.57 1ozi s ARG 69 N -3.77 4.18 -0.24 8.23 3.52 -0.78 -1.97 118.95 128.12 1ozi s ARG 69 Ca 0.61 0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 56.57 1ozi s ARG 69 Cb -0.11 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1ozi s ARG 69 CO 0.26 0.38 0.06 0.08 -0.81 0.00 0.00 175.30 175.28 1ozi s VAL 70 N -0.11 4.22 -0.20 7.11 1.01 0.12 -0.08 120.40 132.47 1ozi s VAL 70 Ca 0.25 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ozi s VAL 70 Cb -0.16 -2.97 -0.21 0.00 0.00 0.00 0.00 36.38 33.05 1ozi s VAL 70 CO 0.11 0.35 0.01 0.18 0.00 0.00 0.00 175.10 175.76 1ozi n LEU 71 N 4.86 2.49 -3.90 3.92 4.77 0.66 -2.93 117.00 126.88 1ozi n LEU 71 Ca -0.16 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 1ozi n LEU 71 Cb 0.51 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1ozi n LEU 71 CO 0.31 0.85 0.39 0.00 -1.33 0.00 0.00 177.39 177.60 1ozi s ALA 72 N -2.53 -0.93 -0.11 -1.18 0.00 -0.77 -2.57 121.76 113.66 1ozi s ALA 72 Ca -0.27 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 1ozi s ALA 72 Cb 0.08 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1ozi s ALA 72 CO 0.68 -0.99 -0.08 0.08 0.00 0.00 0.00 175.76 175.45 1ozi s VAL 73 N -3.91 1.06 -1.53 0.00 1.01 -0.05 0.46 120.40 117.44 1ozi s VAL 73 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1ozi s VAL 73 Cb -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1ozi s VAL 73 CO 0.08 0.37 0.00 -3.20 0.00 0.00 0.00 175.10 172.35 1ozi n ASN 74 N 4.90 -4.99 0.00 3.32 2.85 0.23 -0.56 115.26 121.00 1ozi n ASN 74 Ca -0.13 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1ozi n ASN 74 Cb 0.50 -4.06 0.00 0.00 1.24 0.00 0.00 39.78 37.46 1ozi n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ozi n GLY 75 N -0.99 2.32 3.58 8.20 0.00 -1.26 -4.98 105.19 112.06 1ozi n GLY 75 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.22 4.69 0.18 1.61 1.01 0.27 -4.98 120.40 119.95 1ozi s VAL 76 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 1ozi s VAL 76 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1ozi s VAL 76 CO 0.00 -0.51 1.54 -0.44 0.00 0.00 0.00 175.10 175.69 1ozi s SER 77 N 1.91 6.61 -0.53 3.32 0.01 -1.26 -0.87 113.70 122.89 1ozi s SER 77 Ca 0.32 2.62 0.07 0.00 1.31 0.00 0.00 55.95 60.27 1ozi s SER 77 Cb -0.13 -2.60 0.27 0.00 0.21 0.00 0.00 66.02 63.77 1ozi s SER 77 CO 0.18 -0.80 0.70 0.00 0.41 0.00 0.00 173.24 173.73 1ozi n LEU 78 N 3.64 2.41 -4.33 2.44 -0.00 -1.06 -4.92 117.00 115.18 1ozi n LEU 78 Ca 0.12 -5.19 -0.37 0.00 -0.00 0.00 0.00 56.01 50.58 1ozi n LEU 78 Cb 0.39 -0.10 -0.13 0.00 -0.00 0.00 0.00 43.42 43.58 1ozi n LEU 78 CO 0.61 2.12 -0.29 -1.61 -0.00 0.00 0.00 177.39 178.22 1ozi s GLU 79 N -2.17 3.07 0.00 1.47 2.02 -1.26 -4.19 118.70 117.64 1ozi s GLU 79 Ca 0.39 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1ozi s GLU 79 Cb 0.19 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1ozi s GLU 79 CO -0.06 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1ozi n GLY 80 N 4.85 1.02 2.88 -1.39 0.00 -1.26 -5.03 105.19 106.25 1ozi n GLY 80 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.96 -0.01 -2.45 4.61 0.00 -1.26 -5.10 120.51 114.34 1ozi n ALA 81 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 53.44 51.76 1ozi n ALA 81 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1ozi n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ozi s THR 82 N -2.35 2.47 0.16 0.00 -4.23 -1.26 -4.78 115.64 105.66 1ozi s THR 82 Ca 0.50 -1.70 -0.18 0.00 -1.18 0.00 0.00 61.69 59.12 1ozi s THR 82 Cb -0.03 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.92 1ozi s THR 82 CO 0.33 -0.05 1.66 -0.74 -0.54 0.00 0.00 174.62 175.28 1ozi h HIS 83 N 1.46 -0.32 -0.58 3.99 2.76 -1.91 0.23 115.15 120.78 1ozi h HIS 83 Ca -0.43 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.79 1ozi h HIS 83 Cb 1.25 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.38 1ozi h HIS 83 CO 0.63 -0.21 0.38 0.87 -1.30 0.00 0.00 177.93 178.30 1ozi h LYS 84 N -0.06 0.74 -0.41 5.26 1.57 -1.96 0.17 116.57 121.88 1ozi h LYS 84 Ca 0.18 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1ozi h LYS 84 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ozi h LYS 84 CO -0.41 0.49 -0.19 1.96 -0.57 0.00 0.00 179.45 180.73 1ozi h GLN 85 N 0.77 0.85 0.47 3.15 1.08 -1.84 0.05 115.11 119.65 1ozi h GLN 85 Ca 0.21 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 1ozi h GLN 85 Cb -0.07 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1ozi h GLN 85 CO -0.05 1.01 -0.34 0.00 -0.95 0.00 0.00 178.83 178.49 1ozi h ALA 86 N 0.82 -0.81 -0.26 3.87 0.00 -0.66 -1.29 119.26 120.94 1ozi h ALA 86 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ozi h ALA 86 Cb 0.75 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ozi h ALA 86 CO 0.06 -0.98 0.01 0.28 0.00 0.00 0.00 179.25 178.62 1ozi h VAL 87 N -0.79 1.16 -0.17 0.00 2.07 -0.93 -1.12 116.25 116.47 1ozi h VAL 87 Ca -0.05 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1ozi h VAL 87 Cb 0.67 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1ozi h VAL 87 CO 0.02 0.21 -0.37 -0.33 0.02 0.00 0.00 177.57 177.12 1ozi h GLU 88 N 0.37 0.36 -0.15 1.57 5.08 -0.76 0.03 114.58 121.08 1ozi h GLU 88 Ca 0.09 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1ozi h GLU 88 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ozi h GLU 88 CO 0.01 0.68 -0.38 1.15 -1.00 0.00 0.00 179.01 179.47 1ozi h THR 89 N 0.31 1.30 0.00 1.13 2.02 -0.17 0.84 112.91 118.33 1ozi h THR 89 Ca 0.03 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1ozi h THR 89 Cb 0.79 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1ozi h THR 89 CO 0.06 0.45 0.00 -0.07 0.37 0.00 0.00 175.52 176.33 1ozi h LEU 90 N 0.28 0.00 0.08 2.58 3.38 -0.12 -1.04 115.31 120.46 1ozi h LEU 90 Ca 0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 1ozi h LEU 90 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1ozi h LEU 90 CO 0.06 0.00 -2.01 -1.14 0.09 0.00 0.00 178.44 175.44 1ozi n ARG 91 N -2.65 0.72 0.20 1.13 0.63 -0.11 -4.29 116.66 112.28 1ozi n ARG 91 Ca 0.02 0.24 0.06 0.00 -0.92 0.00 0.00 57.85 57.26 1ozi n ARG 91 Cb 0.33 -1.70 0.43 0.00 0.45 0.00 0.00 32.46 31.97 1ozi n ARG 91 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1ozi h ASN 92 N 0.05 0.00 -0.13 6.15 -0.26 -0.45 -3.21 115.58 117.73 1ozi h ASN 92 Ca -0.42 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.27 1ozi h ASN 92 Cb 2.02 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.28 1ozi h ASN 92 CO 0.06 0.32 -0.11 0.71 -1.06 0.00 0.00 177.43 177.35 1ozi h THR 93 N 0.00 1.34 0.00 2.81 1.35 -1.39 -3.50 112.91 113.53 1ozi h THR 93 Ca -0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1ozi h THR 93 Cb 0.67 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1ozi h THR 93 CO 0.04 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1ozi n GLY 94 N 0.15 0.72 0.09 5.82 0.00 -1.21 -4.85 105.19 105.91 1ozi n GLY 94 Ca -0.06 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 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 0.14 -4.68 1.61 4.15 -1.91 -3.40 115.11 111.02 1ozi h GLN 95 Ca 0.00 -0.14 -0.71 0.00 0.77 0.00 0.00 58.65 58.58 1ozi h GLN 95 Cb 0.00 0.04 -0.20 0.00 0.21 0.00 0.00 27.48 27.53 1ozi h GLN 95 CO 0.00 0.86 -0.13 0.08 -1.93 0.00 0.00 178.83 177.70 1ozi s VAL 96 N -3.26 5.04 -0.15 2.39 1.01 -1.26 -0.71 120.40 123.47 1ozi s VAL 96 Ca -0.16 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1ozi s VAL 96 Cb 0.01 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1ozi s VAL 96 CO 0.73 -0.68 0.13 -0.69 0.00 0.00 0.00 175.10 174.60 1ozi s VAL 97 N 2.18 5.45 -0.18 2.92 1.01 0.77 -4.87 120.40 127.68 1ozi s VAL 97 Ca 0.10 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1ozi s VAL 97 Cb -0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1ozi s VAL 97 CO 0.10 0.56 0.08 -1.00 0.00 0.00 0.00 175.10 174.84 1ozi s HIS 98 N -0.53 3.31 0.14 5.22 3.76 -1.26 0.09 115.29 126.01 1ozi s HIS 98 Ca 0.12 0.16 0.07 0.00 -0.15 0.00 0.00 55.06 55.27 1ozi s HIS 98 Cb -0.12 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 1ozi s HIS 98 CO 0.02 0.23 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.46 1ozi s LEU 99 N 0.27 2.42 -0.34 0.89 1.02 0.41 0.76 118.68 124.10 1ozi s LEU 99 Ca 0.05 -0.84 -0.09 0.00 0.02 0.00 0.00 54.13 53.28 1ozi s LEU 99 Cb -0.12 -0.70 0.02 0.00 0.02 0.00 0.00 46.19 45.41 1ozi s LEU 99 CO -0.00 -0.08 0.15 -0.22 0.02 0.00 0.00 176.35 176.22 1ozi s LEU 100 N -2.56 4.35 0.31 1.79 0.20 0.17 0.10 118.68 123.05 1ozi s LEU 100 Ca 0.12 -0.88 0.09 0.00 0.69 0.00 0.00 54.13 54.16 1ozi s LEU 100 Cb -0.05 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 1ozi s LEU 100 CO 0.05 -0.30 0.05 -0.76 -0.29 0.00 0.00 176.35 175.10 1ozi s LEU 101 N 1.52 3.14 0.09 -0.68 1.02 -0.31 -0.24 118.68 123.22 1ozi s LEU 101 Ca 0.02 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.40 1ozi s LEU 101 Cb -0.18 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1ozi s LEU 101 CO 0.05 -0.17 -0.11 -0.70 0.02 0.00 0.00 176.35 175.44 1ozi s GLU 102 N -3.74 0.83 -0.15 1.70 2.12 0.89 0.15 118.70 120.49 1ozi s GLU 102 Ca 0.35 -1.10 -0.38 0.00 0.36 0.00 0.00 54.97 54.20 1ozi s GLU 102 Cb -0.03 -0.59 -0.14 0.00 0.26 0.00 0.00 34.13 33.62 1ozi s GLU 102 CO 0.21 0.10 1.73 0.36 -0.54 0.00 0.00 175.26 177.12 1ozi n LYS 103 N 0.74 1.52 -1.91 4.30 0.00 -0.78 -1.86 118.16 120.17 1ozi n LYS 103 Ca -0.17 0.56 -0.36 0.00 -0.00 0.00 0.00 58.31 58.33 1ozi n LYS 103 Cb 0.57 -2.29 0.04 0.00 -0.00 0.00 0.00 35.03 33.35 1ozi n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ozi n GLY 104 N 4.03 5.71 0.20 2.58 0.00 -1.26 -4.50 105.19 111.95 1ozi n GLY 104 Ca 0.24 -2.51 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 1ozi n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ozi h GLN 105 N 2.70 0.63 -3.34 1.61 4.15 -1.90 -3.36 115.11 115.60 1ozi h GLN 105 Ca 0.52 -0.20 -0.63 0.00 0.77 0.00 0.00 58.65 59.11 1ozi h GLN 105 Cb 0.39 -0.05 -0.41 0.00 0.21 0.00 0.00 27.48 27.62 1ozi h GLN 105 CO 1.34 0.75 -0.68 0.14 -1.93 0.00 0.00 178.83 178.44 1ozi s VAL 106 N -4.98 2.03 -2.00 2.39 -7.23 -1.26 -5.09 120.40 104.25 1ozi s VAL 106 Ca -0.13 -2.87 0.30 0.00 -1.81 0.00 0.00 61.98 57.47 1ozi s VAL 106 Cb 0.09 -2.42 0.85 0.00 0.56 0.00 0.00 36.38 35.46 1ozi s VAL 106 CO 0.78 -0.82 2.12 -2.65 -0.31 0.00 0.00 175.10 174.22