#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duz s ILE 1 N 0.00 2.16 -0.05 2.02 1.01 -1.26 -5.01 121.20 120.06 1duz s ILE 1 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1duz s ILE 1 Cb 0.00 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.41 1duz s ILE 1 CO 0.00 0.03 0.09 -1.10 0.00 0.00 0.00 174.94 173.96 1duz s GLN 2 N -1.66 -0.02 -0.03 2.79 -0.21 -1.26 -4.41 119.66 114.86 1duz s GLN 2 Ca 0.55 0.39 0.05 0.00 0.02 0.00 0.00 55.36 56.36 1duz s GLN 2 Cb -0.46 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 1duz s GLN 2 CO 0.58 -0.27 -0.18 1.03 -2.12 0.00 0.00 175.29 174.33 1duz s ARG 3 N 1.85 1.71 0.13 2.91 0.52 0.19 -4.92 118.95 121.34 1duz s ARG 3 Ca -0.00 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1duz s ARG 3 Cb -0.12 -1.55 -0.07 0.00 0.52 0.00 0.00 34.95 33.73 1duz s ARG 3 CO -0.04 0.33 1.10 0.99 0.02 0.00 0.00 175.30 177.70 1duz s THR 4 N -0.19 4.05 0.31 0.02 2.01 -1.26 -1.78 115.64 118.80 1duz s THR 4 Ca 0.01 1.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.38 1duz s THR 4 Cb -0.10 -4.06 -0.10 0.00 0.01 0.00 0.00 72.50 68.26 1duz s THR 4 CO 0.01 0.23 1.31 -2.16 -0.69 0.00 0.00 174.62 173.32 1duz s PRO 5 N 0.14 4.36 0.23 4.92 0.04 -1.26 -4.39 135.00 139.04 1duz s PRO 5 Ca 0.52 2.20 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1duz s PRO 5 Cb -0.28 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 1duz s PRO 5 CO 0.32 -0.20 0.66 0.15 0.04 0.00 0.00 177.00 177.97 1duz s LYS 6 N -1.47 4.07 -0.06 4.56 1.02 0.62 -4.89 119.74 123.59 1duz s LYS 6 Ca 0.51 0.66 0.01 0.00 0.02 0.00 0.00 55.97 57.17 1duz s LYS 6 Cb -0.39 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1duz s LYS 6 CO 0.50 0.35 -0.07 0.42 -0.92 0.00 0.00 175.35 175.63 1duz s ILE 7 N -1.65 0.76 -0.05 2.17 1.01 -1.26 -2.05 121.20 120.12 1duz s ILE 7 Ca 0.45 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1duz s ILE 7 Cb -0.14 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1duz s ILE 7 CO 0.20 0.28 -0.17 -1.10 0.00 0.00 0.00 174.94 174.15 1duz s GLN 8 N 0.93 1.87 -0.14 2.79 -0.21 -0.56 -5.00 119.66 119.34 1duz s GLN 8 Ca -0.11 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1duz s GLN 8 Cb -0.15 -1.59 0.01 0.00 1.00 0.00 0.00 33.01 32.29 1duz s GLN 8 CO 0.01 0.20 -0.18 0.54 -2.12 0.00 0.00 175.29 173.73 1duz s VAL 9 N 0.18 1.80 0.20 1.09 0.11 -1.26 -1.03 120.40 121.49 1duz s VAL 9 Ca -0.07 -0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 57.94 1duz s VAL 9 Cb -0.13 -1.63 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 1duz s VAL 9 CO 0.03 0.50 0.76 -0.72 -3.33 0.00 0.00 175.10 172.34 1duz s TYR 10 N 1.05 -0.27 0.10 1.54 1.13 -0.75 -4.61 117.35 115.54 1duz s TYR 10 Ca -0.03 -0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 55.53 1duz s TYR 10 Cb -0.14 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1duz s TYR 10 CO -0.05 -0.99 0.31 -1.54 -2.51 0.00 0.00 175.55 170.76 1duz s SER 11 N -2.84 6.44 0.17 -0.18 1.04 -1.26 0.01 113.70 117.07 1duz s SER 11 Ca 0.08 0.47 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 1duz s SER 11 Cb -0.03 -2.04 0.10 0.00 0.10 0.00 0.00 66.02 64.14 1duz s SER 11 CO -0.00 0.12 1.75 -0.09 0.98 0.00 0.00 173.24 176.00 1duz h ARG 12 N 3.04 0.31 -6.20 4.02 2.43 -1.64 -3.45 114.38 112.89 1duz h ARG 12 Ca -0.46 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.11 1duz h ARG 12 Cb 1.17 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 1duz h ARG 12 CO 0.73 0.21 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.68 1duz s HIS 13 N -6.15 2.48 0.21 2.20 3.76 -1.26 -5.06 115.29 111.47 1duz s HIS 13 Ca -0.13 -0.28 -0.32 0.00 -0.15 0.00 0.00 55.06 54.18 1duz s HIS 13 Cb 0.13 -1.09 -0.14 0.00 1.11 0.00 0.00 32.58 32.59 1duz s HIS 13 CO 0.72 0.67 1.41 -2.30 -0.85 0.00 0.00 174.74 174.39 1duz n PRO 14 N -0.75 1.92 -2.24 8.40 -0.02 -1.26 -4.86 135.00 136.19 1duz n PRO 14 Ca -0.06 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1duz n PRO 14 Cb 0.60 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1duz n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1duz s ALA 15 N 0.12 3.52 -0.10 3.55 0.00 -1.26 -5.01 121.76 122.58 1duz s ALA 15 Ca 0.71 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 1duz s ALA 15 Cb -0.69 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 18.97 1duz s ALA 15 CO 0.48 -0.54 -0.01 -1.21 0.00 0.00 0.00 175.76 174.47 1duz s GLU 16 N 0.58 0.86 0.27 0.00 2.02 -1.26 -5.11 118.70 116.06 1duz s GLU 16 Ca 0.60 -0.07 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1duz s GLU 16 Cb -0.35 -1.30 -0.13 0.00 0.10 0.00 0.00 34.13 32.45 1duz s GLU 16 CO 0.33 -0.34 1.32 0.09 0.02 0.00 0.00 175.26 176.68 1duz n ASN 17 N 5.08 2.56 0.00 -0.19 3.02 -1.26 -1.46 115.26 123.01 1duz n ASN 17 Ca -0.09 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1duz n ASN 17 Cb 0.50 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1duz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duz n GLY 18 N 1.64 1.19 3.46 7.41 0.00 0.35 -5.00 105.19 114.24 1duz n GLY 18 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1duz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1duz s LYS 19 N -0.06 2.77 0.30 1.61 1.02 -0.53 -4.98 119.74 119.86 1duz s LYS 19 Ca 0.00 -0.67 -0.28 0.00 0.02 0.00 0.00 55.97 55.04 1duz s LYS 19 Cb 0.00 -2.47 -0.14 0.00 -0.52 0.00 0.00 37.83 34.70 1duz s LYS 19 CO 0.00 0.52 1.01 0.43 -0.92 0.00 0.00 175.35 176.40 1duz n SER 20 N 2.61 1.33 -1.31 2.83 7.64 -1.26 -4.04 113.62 121.41 1duz n SER 20 Ca -0.17 1.17 -0.02 0.00 1.01 0.00 0.00 58.87 60.86 1duz n SER 20 Cb 0.52 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 1duz n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1duz n ASN 21 N 1.19 -0.40 -3.94 6.43 2.85 0.37 -4.99 115.26 116.78 1duz n ASN 21 Ca 0.09 -1.27 -0.18 0.00 -0.11 0.00 0.00 54.58 53.12 1duz n ASN 21 Cb 0.32 0.66 -0.15 0.00 1.24 0.00 0.00 39.78 41.85 1duz n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1duz s PHE 22 N -7.74 0.60 -0.21 1.20 0.40 -1.26 -0.89 117.98 110.08 1duz s PHE 22 Ca 0.03 -0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1duz s PHE 22 Cb -0.01 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1duz s PHE 22 CO 0.02 -0.08 0.09 -1.17 0.70 0.00 0.00 175.22 174.78 1duz s LEU 23 N 0.28 3.80 0.11 -0.37 2.96 0.04 -1.44 118.68 124.06 1duz s LEU 23 Ca -0.03 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1duz s LEU 23 Cb -0.07 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1duz s LEU 23 CO -0.00 0.09 -0.12 0.20 -1.32 0.00 0.00 176.35 175.20 1duz s ASN 24 N 0.87 4.28 -0.19 3.68 0.01 0.10 -1.53 114.94 122.18 1duz s ASN 24 Ca 0.05 -0.44 -0.05 0.00 -0.71 0.00 0.00 52.86 51.72 1duz s ASN 24 Cb -0.13 -0.77 0.06 0.00 0.41 0.00 0.00 41.25 40.82 1duz s ASN 24 CO 0.03 0.17 0.09 0.00 -1.51 0.00 0.00 177.10 175.88 1duz s TYR 26 N 2.10 3.22 -0.05 0.00 5.04 -0.20 -0.91 117.35 126.54 1duz s TYR 26 Ca 0.02 0.07 0.06 0.00 -2.44 0.00 0.00 57.07 54.78 1duz s TYR 26 Cb -0.16 -2.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.79 1duz s TYR 26 CO -0.12 -0.15 -0.22 0.14 -1.34 0.00 0.00 175.55 173.86 1duz s VAL 27 N 1.62 2.33 0.24 3.14 -7.23 -0.62 -1.49 120.40 118.39 1duz s VAL 27 Ca 0.07 -0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 59.14 1duz s VAL 27 Cb -0.15 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1duz s VAL 27 CO 0.09 0.57 0.47 -0.94 -0.31 0.00 0.00 175.10 174.98 1duz s SER 28 N -0.33 -0.09 -0.46 4.85 1.04 -0.87 -0.90 113.70 116.95 1duz s SER 28 Ca 0.02 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1duz s SER 28 Cb -0.13 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1duz s SER 28 CO 0.02 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1duz n GLY 29 N -0.37 0.65 3.78 7.32 0.00 -0.73 -0.27 105.19 115.57 1duz n GLY 29 Ca -0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1duz n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1duz s PHE 30 N -1.89 2.89 -0.27 1.61 -0.71 -1.17 -4.27 117.98 114.16 1duz s PHE 30 Ca 0.00 -0.25 -0.25 0.00 -1.04 0.00 0.00 56.93 55.40 1duz s PHE 30 Cb 0.00 -1.53 0.08 0.00 -1.21 0.00 0.00 43.02 40.36 1duz s PHE 30 CO 0.00 0.40 0.75 -1.58 -1.34 0.00 0.00 175.22 173.45 1duz s HIS 31 N -2.28 -0.77 0.81 3.49 2.46 -0.73 -1.42 115.29 116.84 1duz s HIS 31 Ca 0.36 1.86 -0.14 0.00 0.47 0.00 0.00 55.06 57.61 1duz s HIS 31 Cb -0.06 0.30 0.20 0.00 -0.13 0.00 0.00 32.58 32.89 1duz s HIS 31 CO 0.24 -0.37 0.75 -0.35 -2.47 0.00 0.00 174.74 172.54 1duz n PRO 32 N 2.72 -2.30 0.14 2.88 -0.04 -1.26 -0.64 135.00 136.51 1duz n PRO 32 Ca -0.14 -1.19 0.13 0.00 -0.04 0.00 0.00 63.50 62.26 1duz n PRO 32 Cb 0.55 -1.08 0.35 0.00 -0.04 0.00 0.00 33.50 33.29 1duz n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1duz h SER 33 N -2.07 0.00 -2.85 3.54 4.64 -2.00 -3.45 113.55 111.37 1duz h SER 33 Ca -0.28 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.51 1duz h SER 33 Cb 0.84 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1duz h SER 33 CO 0.18 0.00 0.86 -1.81 -0.87 0.00 0.00 176.83 175.20 1duz s ASP 34 N -4.98 6.72 0.06 4.97 1.11 -1.26 -4.97 116.67 118.32 1duz s ASP 34 Ca 0.09 2.37 -0.26 0.00 0.18 0.00 0.00 52.55 54.94 1duz s ASP 34 Cb 0.10 -2.57 0.07 0.00 1.07 0.00 0.00 42.92 41.59 1duz s ASP 34 CO 0.61 -0.77 0.62 -0.51 1.18 0.00 0.00 175.17 176.29 1duz s ILE 35 N 1.91 0.00 -0.08 0.77 2.07 -1.26 -4.63 121.20 119.98 1duz s ILE 35 Ca 0.68 -0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 1duz s ILE 35 Cb -0.38 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.23 1duz s ILE 35 CO 0.30 -0.02 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.45 1duz s GLU 36 N -2.57 2.17 -0.06 3.50 2.12 -0.59 -5.00 118.70 118.27 1duz s GLU 36 Ca -0.05 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.72 1duz s GLU 36 Cb -0.01 -1.75 0.02 0.00 0.26 0.00 0.00 34.13 32.66 1duz s GLU 36 CO -0.02 0.04 -0.03 0.08 -0.54 0.00 0.00 175.26 174.78 1duz s VAL 37 N 0.67 0.55 0.11 3.70 1.01 -1.26 -0.62 120.40 124.55 1duz s VAL 37 Ca -0.14 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1duz s VAL 37 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1duz s VAL 37 CO 0.04 0.26 -0.21 -1.81 0.00 0.00 0.00 175.10 173.37 1duz s ASP 38 N 1.36 2.60 -0.08 3.32 1.01 -0.36 -4.99 116.67 119.52 1duz s ASP 38 Ca -0.04 -0.71 -0.00 0.00 0.71 0.00 0.00 52.55 52.51 1duz s ASP 38 Cb -0.13 -0.15 -0.03 0.00 1.01 0.00 0.00 42.92 43.62 1duz s ASP 38 CO -0.03 0.05 -0.06 -0.76 0.21 0.00 0.00 175.17 174.59 1duz s LEU 39 N -2.02 3.23 0.03 1.23 1.43 -1.26 -0.86 118.68 120.46 1duz s LEU 39 Ca 0.08 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 1duz s LEU 39 Cb -0.09 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1duz s LEU 39 CO 0.05 0.34 -0.21 -0.76 0.23 0.00 0.00 176.35 176.00 1duz s LEU 40 N -0.67 2.13 -0.20 1.79 1.43 0.12 -0.06 118.68 123.22 1duz s LEU 40 Ca 0.10 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1duz s LEU 40 Cb -0.11 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1duz s LEU 40 CO 0.02 0.19 -0.16 -0.75 0.23 0.00 0.00 176.35 175.89 1duz s LYS 41 N -0.99 2.58 -1.65 1.70 2.20 -0.24 -1.67 119.74 121.66 1duz s LYS 41 Ca 0.08 -0.92 -0.17 0.00 -0.36 0.00 0.00 55.97 54.60 1duz s LYS 41 Cb -0.09 -2.57 0.13 0.00 -1.51 0.00 0.00 37.83 33.80 1duz s LYS 41 CO 0.01 -0.33 0.87 0.09 -0.36 0.00 0.00 175.35 175.63 1duz n ASN 42 N 4.60 -3.93 0.00 1.43 3.02 0.10 -1.57 115.26 118.92 1duz n ASN 42 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1duz n ASN 42 Cb 0.48 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 1duz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duz n GLY 43 N -1.50 1.92 3.69 7.41 0.00 -1.26 -5.04 105.19 110.41 1duz n GLY 43 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1duz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1duz s GLU 44 N -0.34 4.14 0.00 1.61 2.12 -0.61 -5.02 118.70 120.60 1duz s GLU 44 Ca 0.00 -0.16 -0.33 0.00 0.36 0.00 0.00 54.97 54.83 1duz s GLU 44 Cb 0.00 -3.49 -0.12 0.00 0.26 0.00 0.00 34.13 30.78 1duz s GLU 44 CO 0.00 0.13 1.83 -2.13 -0.54 0.00 0.00 175.26 174.55 1duz n ARG 45 N 4.02 2.32 -2.60 4.30 0.63 -1.26 -1.08 116.66 122.99 1duz n ARG 45 Ca -0.14 0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 57.22 1duz n ARG 45 Cb 0.52 -2.70 -0.03 0.00 0.45 0.00 0.00 32.46 30.70 1duz n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1duz s ILE 46 N 3.33 4.37 -0.01 5.15 1.01 0.91 -4.92 121.20 131.04 1duz s ILE 46 Ca 0.88 1.82 -0.22 0.00 0.00 0.00 0.00 60.65 63.13 1duz s ILE 46 Cb -0.64 -4.16 -0.23 0.00 0.01 0.00 0.00 42.46 37.45 1duz s ILE 46 CO 0.46 0.20 1.09 -0.33 0.00 0.00 0.00 174.94 176.37 1duz h GLU 47 N 6.20 0.31 -4.24 2.79 5.08 -1.92 -3.41 114.58 119.40 1duz h GLU 47 Ca -0.42 -0.32 -0.74 0.00 -1.00 0.00 0.00 59.36 56.88 1duz h GLU 47 Cb 1.21 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 30.39 1duz h GLU 47 CO 0.75 1.00 1.73 1.17 -1.00 0.00 0.00 179.01 182.66 1duz n LYS 48 N -4.36 3.46 -4.98 2.33 0.00 -1.26 -4.93 118.16 108.42 1duz n LYS 48 Ca -0.10 -3.66 -0.32 0.00 0.00 0.00 0.00 58.31 54.23 1duz n LYS 48 Cb 0.58 -3.02 -0.16 0.00 0.00 0.00 0.00 35.03 32.43 1duz n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1duz s VAL 49 N 1.20 2.21 0.28 3.15 1.01 -1.26 -4.60 120.40 122.39 1duz s VAL 49 Ca 0.42 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1duz s VAL 49 Cb 0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1duz s VAL 49 CO 0.00 0.55 0.03 -1.61 0.00 0.00 0.00 175.10 174.07 1duz s GLU 50 N 0.50 2.32 0.04 2.72 2.02 -0.67 -4.92 118.70 120.72 1duz s GLU 50 Ca -0.14 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1duz s GLU 50 Cb -0.17 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1duz s GLU 50 CO 0.05 0.32 -0.04 -3.38 0.02 0.00 0.00 175.26 172.23 1duz s HIS 51 N -2.34 0.46 0.87 1.61 -3.43 -1.26 -0.65 115.29 110.55 1duz s HIS 51 Ca 0.32 -0.75 -0.11 0.00 -0.80 0.00 0.00 55.06 53.73 1duz s HIS 51 Cb -0.06 -0.32 0.11 0.00 -1.43 0.00 0.00 32.58 30.89 1duz s HIS 51 CO 0.20 -0.24 1.09 -1.54 -2.00 0.00 0.00 174.74 172.26 1duz s SER 52 N -2.13 3.66 0.34 7.38 1.04 0.79 -4.96 113.70 119.83 1duz s SER 52 Ca -0.05 1.67 -0.27 0.00 0.48 0.00 0.00 55.95 57.79 1duz s SER 52 Cb -0.02 -2.34 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 1duz s SER 52 CO -0.04 -2.55 1.14 -1.81 0.98 0.00 0.00 173.24 170.97 1duz s ASP 53 N -3.30 6.89 0.09 7.02 1.01 -1.26 -4.71 116.67 122.41 1duz s ASP 53 Ca 0.63 2.32 -0.33 0.00 0.71 0.00 0.00 52.55 55.88 1duz s ASP 53 Cb -0.18 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.00 1duz s ASP 53 CO 0.57 -0.42 1.73 -0.11 0.21 0.00 0.00 175.17 177.15 1duz n LEU 54 N 0.60 3.47 -4.23 1.23 7.94 -1.26 -4.95 117.00 119.79 1duz n LEU 54 Ca 0.02 1.03 -0.17 0.00 -1.11 0.00 0.00 56.01 55.78 1duz n LEU 54 Cb 0.46 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.88 1duz n LEU 54 CO 0.52 -0.09 -0.10 -0.55 -1.11 0.00 0.00 177.39 176.06 1duz s SER 55 N 2.20 1.19 0.21 1.96 0.15 -1.23 -5.06 113.70 113.12 1duz s SER 55 Ca 0.83 -1.62 -0.09 0.00 0.70 0.00 0.00 55.95 55.77 1duz s SER 55 Cb -0.62 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1duz s SER 55 CO 0.41 -1.04 0.34 0.72 1.20 0.00 0.00 173.24 174.86 1duz s PHE 56 N -3.58 0.55 0.44 3.44 -0.12 -1.26 -1.97 117.98 115.47 1duz s PHE 56 Ca 0.39 -0.88 0.07 0.00 -0.05 0.00 0.00 56.93 56.45 1duz s PHE 56 Cb 0.03 -0.06 0.07 0.00 -0.63 0.00 0.00 43.02 42.44 1duz s PHE 56 CO 0.23 -0.82 0.60 0.43 -0.05 0.00 0.00 175.22 175.61 1duz n SER 57 N -0.30 1.51 -0.05 1.98 7.64 0.24 -4.94 113.62 119.71 1duz n SER 57 Ca -0.03 -2.11 0.05 0.00 1.01 0.00 0.00 58.87 57.79 1duz n SER 57 Cb 0.63 -0.33 0.41 0.00 -1.01 0.00 0.00 64.21 63.92 1duz n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1duz h LYS 58 N 0.00 0.58 -0.59 1.43 1.63 -2.03 -1.04 116.57 116.55 1duz h LYS 58 Ca -0.20 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1duz h LYS 58 Cb 0.92 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1duz h LYS 58 CO 0.28 0.38 0.00 -0.40 -3.45 0.00 0.00 179.45 176.27 1duz n ASP 59 N -4.47 0.59 0.00 4.20 5.75 -1.26 -4.88 116.55 116.48 1duz n ASP 59 Ca 0.05 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1duz n ASP 59 Cb 0.11 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1duz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1duz n TRP 60 N -0.19 0.00 -2.44 2.11 7.02 -0.39 -5.01 117.44 118.54 1duz n TRP 60 Ca 0.00 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.09 1duz n TRP 60 Cb 0.15 -0.30 -0.04 0.00 -2.42 0.00 0.00 31.31 28.70 1duz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1duz s SER 61 N -3.30 6.97 0.58 -0.99 1.04 -1.26 -4.64 113.70 112.10 1duz s SER 61 Ca 0.00 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.58 1duz s SER 61 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1duz s SER 61 CO 0.00 -0.35 0.97 -0.36 0.98 0.00 0.00 173.24 174.48 1duz s PHE 62 N -1.33 3.61 0.01 5.02 0.08 -0.51 -0.59 117.98 124.27 1duz s PHE 62 Ca 0.50 1.18 -0.11 0.00 0.12 0.00 0.00 56.93 58.62 1duz s PHE 62 Cb -0.30 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1duz s PHE 62 CO 0.38 -0.57 0.23 1.52 -0.10 0.00 0.00 175.22 176.68 1duz s TYR 63 N -3.04 -0.04 -0.01 0.36 -0.85 -0.83 -1.77 117.35 111.16 1duz s TYR 63 Ca 0.53 -0.03 -0.08 0.00 -0.52 0.00 0.00 57.07 56.97 1duz s TYR 63 Cb -0.11 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.26 1duz s TYR 63 CO 0.51 -0.39 0.17 -0.51 -1.52 0.00 0.00 175.55 173.81 1duz s LEU 64 N -1.64 1.42 -0.17 -3.49 1.43 -0.07 -3.53 118.68 112.63 1duz s LEU 64 Ca -0.11 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1duz s LEU 64 Cb -0.04 0.74 -0.01 0.00 0.03 0.00 0.00 46.19 46.91 1duz s LEU 64 CO 0.00 -0.33 -0.10 -0.22 0.23 0.00 0.00 176.35 175.93 1duz s LEU 65 N -1.12 2.74 -0.06 1.79 2.96 -1.26 -1.59 118.68 122.14 1duz s LEU 65 Ca -0.12 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1duz s LEU 65 Cb -0.06 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1duz s LEU 65 CO 0.02 0.08 0.06 -0.31 -1.32 0.00 0.00 176.35 174.88 1duz s TYR 66 N 0.86 3.30 -0.04 5.38 1.51 -0.09 -0.15 117.35 128.13 1duz s TYR 66 Ca -0.03 0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 56.00 1duz s TYR 66 Cb -0.15 -1.80 0.07 0.00 -0.11 0.00 0.00 41.96 39.97 1duz s TYR 66 CO 0.00 0.56 0.66 1.52 -1.11 0.00 0.00 175.55 177.18 1duz s TYR 67 N -1.04 -0.63 -0.01 2.71 1.13 0.18 -0.83 117.35 118.87 1duz s TYR 67 Ca 0.17 1.04 -0.16 0.00 -1.41 0.00 0.00 57.07 56.72 1duz s TYR 67 Cb -0.12 0.41 0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1duz s TYR 67 CO 0.07 -0.62 0.34 -0.08 -2.51 0.00 0.00 175.55 172.76 1duz s THR 68 N -1.36 0.06 0.31 -3.49 -1.32 -0.58 -1.66 115.64 107.59 1duz s THR 68 Ca -0.10 -0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.63 1duz s THR 68 Cb -0.00 -0.71 -0.09 0.00 -1.51 0.00 0.00 72.50 70.19 1duz s THR 68 CO 0.08 -0.26 1.10 -1.61 -2.21 0.00 0.00 174.62 171.73 1duz s GLU 69 N -1.55 4.50 0.07 7.08 2.02 -1.26 -0.78 118.70 128.79 1duz s GLU 69 Ca -0.12 1.77 -0.23 0.00 0.02 0.00 0.00 54.97 56.41 1duz s GLU 69 Cb -0.04 -3.03 0.06 0.00 0.10 0.00 0.00 34.13 31.22 1duz s GLU 69 CO 0.03 0.10 0.55 -0.59 0.02 0.00 0.00 175.26 175.37 1duz s PHE 70 N -1.27 -0.46 -0.31 1.61 -0.71 -0.07 -4.83 117.98 111.94 1duz s PHE 70 Ca 0.48 0.45 0.03 0.00 -1.04 0.00 0.00 56.93 56.85 1duz s PHE 70 Cb -0.30 0.40 0.08 0.00 -1.21 0.00 0.00 43.02 41.99 1duz s PHE 70 CO 0.39 -0.70 -0.01 0.99 -1.34 0.00 0.00 175.22 174.55 1duz s THR 71 N -2.78 2.32 0.48 -4.49 2.01 -1.26 -0.48 115.64 111.45 1duz s THR 71 Ca -0.03 -2.01 -0.23 0.00 0.31 0.00 0.00 61.69 59.72 1duz s THR 71 Cb -0.00 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 1duz s THR 71 CO -0.04 -0.36 1.26 -2.16 -0.69 0.00 0.00 174.62 172.62 1duz s PRO 72 N 1.01 3.57 0.28 4.92 0.04 -1.26 -4.80 135.00 138.77 1duz s PRO 72 Ca 0.02 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.12 1duz s PRO 72 Cb -0.20 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1duz s PRO 72 CO -0.06 -0.77 -0.02 0.95 0.04 0.00 0.00 177.00 177.13 1duz s THR 73 N -1.41 1.45 0.45 1.26 -4.23 -1.26 -0.50 115.64 111.40 1duz s THR 73 Ca 0.65 -2.08 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 1duz s THR 73 Cb -0.34 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.18 1duz s THR 73 CO 0.42 -0.23 2.02 -0.08 -0.54 0.00 0.00 174.62 176.20 1duz h GLU 74 N 2.26 0.09 -0.00 3.99 4.81 -1.97 -3.31 114.58 120.45 1duz h GLU 74 Ca -0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1duz h GLU 74 Cb 1.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1duz h GLU 74 CO 0.68 0.20 -0.38 0.36 -0.73 0.00 0.00 179.01 179.14 1duz n LYS 75 N -4.37 3.57 -2.50 1.92 -0.00 -1.26 -4.98 118.16 110.55 1duz n LYS 75 Ca -0.02 -0.14 -0.40 0.00 -0.00 0.00 0.00 58.31 57.75 1duz n LYS 75 Cb 0.20 -0.96 -0.04 0.00 -0.00 0.00 0.00 35.03 34.23 1duz n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1duz s ASP 76 N -1.73 7.28 -0.12 -5.58 1.01 -1.25 -5.03 116.67 111.25 1duz s ASP 76 Ca 0.04 2.21 -0.03 0.00 0.71 0.00 0.00 52.55 55.48 1duz s ASP 76 Cb 0.07 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1duz s ASP 76 CO 0.34 -0.15 -0.00 -1.61 0.21 0.00 0.00 175.17 173.95 1duz s GLU 77 N -1.10 3.33 0.22 8.23 2.02 -1.26 -4.78 118.70 125.36 1duz s GLU 77 Ca 0.46 -0.43 0.09 0.00 0.02 0.00 0.00 54.97 55.10 1duz s GLU 77 Cb -0.31 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.99 1duz s GLU 77 CO 0.39 0.51 -0.15 0.71 0.02 0.00 0.00 175.26 176.73 1duz s TYR 78 N -0.34 1.84 0.20 1.61 1.51 -1.26 0.02 117.35 120.93 1duz s TYR 78 Ca 0.07 -0.53 -0.23 0.00 -1.01 0.00 0.00 57.07 55.37 1duz s TYR 78 Cb -0.12 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1duz s TYR 78 CO 0.02 0.43 0.70 0.00 -1.11 0.00 0.00 175.55 175.59 1duz s ALA 79 N -2.88 -1.46 -0.03 3.71 0.00 -0.67 -0.43 121.76 120.00 1duz s ALA 79 Ca 0.24 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.43 1duz s ALA 79 Cb -0.01 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1duz s ALA 79 CO 0.09 -0.90 -0.25 0.00 0.00 0.00 0.00 175.76 174.70 1duz s ARG 81 N -0.49 2.26 -0.02 0.00 3.52 -0.04 -0.37 118.95 123.82 1duz s ARG 81 Ca 0.06 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 1duz s ARG 81 Cb -0.11 -1.82 -0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1duz s ARG 81 CO 0.00 0.17 -0.11 0.08 -0.81 0.00 0.00 175.30 174.64 1duz s VAL 82 N 0.32 0.86 0.06 7.11 1.01 0.04 -1.22 120.40 128.56 1duz s VAL 82 Ca -0.12 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1duz s VAL 82 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1duz s VAL 82 CO 0.05 0.25 -0.21 0.20 0.00 0.00 0.00 175.10 175.39 1duz s ASN 83 N -0.10 2.48 -0.06 3.32 0.01 0.20 -1.25 114.94 119.54 1duz s ASN 83 Ca 0.02 -0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 51.31 1duz s ASN 83 Cb -0.06 -0.19 0.11 0.00 0.41 0.00 0.00 41.25 41.52 1duz s ASN 83 CO -0.00 0.14 0.97 -2.28 -1.51 0.00 0.00 177.10 174.42 1duz s HIS 84 N -0.87 -0.29 0.57 2.20 5.65 -1.26 -1.55 115.29 119.73 1duz s HIS 84 Ca 0.07 0.18 0.25 0.00 0.25 0.00 0.00 55.06 55.82 1duz s HIS 84 Cb -0.09 0.53 1.61 0.00 -1.18 0.00 0.00 32.58 33.45 1duz s HIS 84 CO 0.02 -0.45 2.17 -0.39 -0.65 0.00 0.00 174.74 175.45 1duz h VAL 85 N 2.01 0.66 0.00 0.89 -1.51 -1.94 -1.39 116.25 114.96 1duz h VAL 85 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1duz h VAL 85 Cb 1.22 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1duz h VAL 85 CO 0.29 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.34 1duz h THR 86 N 0.00 0.00 -3.77 7.19 1.35 -1.92 -3.44 112.91 112.32 1duz h THR 86 Ca 0.04 -0.53 -0.65 0.00 -0.55 0.00 0.00 66.41 64.72 1duz h THR 86 Cb 0.18 1.46 -0.20 0.00 -1.73 0.00 0.00 68.15 67.86 1duz h THR 86 CO -0.00 0.00 -0.56 -0.76 -0.25 0.00 0.00 175.52 173.95 1duz s LEU 87 N -5.19 3.84 0.29 3.87 1.43 -0.53 -4.98 118.68 117.42 1duz s LEU 87 Ca 0.06 -0.15 0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1duz s LEU 87 Cb 0.09 -2.04 0.36 0.00 0.03 0.00 0.00 46.19 44.64 1duz s LEU 87 CO 0.55 -0.07 1.59 0.77 0.23 0.00 0.00 176.35 179.42 1duz h SER 88 N 8.33 0.00 -3.77 2.29 4.64 -1.85 -3.42 113.55 119.76 1duz h SER 88 Ca -0.36 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.40 1duz h SER 88 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 1duz h SER 88 CO 0.57 0.56 -0.81 -1.10 -0.87 0.00 0.00 176.83 175.18 1duz s GLN 89 N -3.39 1.25 0.35 4.77 -1.52 -1.26 -5.11 119.66 114.74 1duz s GLN 89 Ca 0.00 -1.33 -0.29 0.00 -1.95 0.00 0.00 55.36 51.80 1duz s GLN 89 Cb 0.11 -1.43 -0.11 0.00 -0.22 0.00 0.00 33.01 31.36 1duz s GLN 89 CO 0.74 0.31 1.46 -2.14 -0.25 0.00 0.00 175.29 175.41 1duz s PRO 90 N -2.41 4.18 -0.27 2.91 0.02 -1.26 -4.95 135.00 133.21 1duz s PRO 90 Ca 0.13 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 1duz s PRO 90 Cb -0.08 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1duz s PRO 90 CO 0.06 -0.46 0.31 0.21 -0.33 0.00 0.00 177.00 176.78 1duz s LYS 91 N -1.68 4.01 -0.26 5.54 2.47 -0.38 -4.91 119.74 124.51 1duz s LYS 91 Ca 0.54 -0.08 -0.06 0.00 -1.56 0.00 0.00 55.97 54.81 1duz s LYS 91 Cb -0.45 -3.64 -0.00 0.00 -1.46 0.00 0.00 37.83 32.28 1duz s LYS 91 CO 0.57 -0.22 0.03 0.42 0.16 0.00 0.00 175.35 176.32 1duz s ILE 92 N 1.88 3.76 -0.18 5.43 1.01 -1.26 -0.78 121.20 131.05 1duz s ILE 92 Ca 0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 1duz s ILE 92 Cb -0.16 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1duz s ILE 92 CO 0.10 0.23 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 1duz s VAL 93 N 1.50 3.35 0.32 2.92 1.01 0.50 -4.96 120.40 125.04 1duz s VAL 93 Ca 0.04 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1duz s VAL 93 Cb -0.16 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 1duz s VAL 93 CO 0.00 0.46 0.91 -0.54 0.00 0.00 0.00 175.10 175.94 1duz s LYS 94 N 0.98 4.50 -0.03 2.72 1.02 -1.26 -0.95 119.74 126.71 1duz s LYS 94 Ca -0.00 1.23 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 1duz s LYS 94 Cb -0.15 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1duz s LYS 94 CO 0.00 0.27 1.09 -0.46 -0.92 0.00 0.00 175.35 175.33 1duz s TRP 95 N -1.65 3.45 -0.20 3.18 -0.00 0.43 -4.91 118.94 119.23 1duz s TRP 95 Ca 0.50 1.46 0.01 0.00 -0.00 0.00 0.00 56.10 58.07 1duz s TRP 95 Cb -0.17 -3.28 0.02 0.00 -0.00 0.00 0.00 33.47 30.04 1duz s TRP 95 CO 0.22 -0.67 -0.17 0.34 -0.00 0.00 0.00 176.95 176.68 1duz s ASP 96 N 1.17 3.48 0.36 5.86 -1.08 -1.26 -4.71 116.67 120.49 1duz s ASP 96 Ca 0.53 -0.74 0.20 0.00 -0.52 0.00 0.00 52.55 52.03 1duz s ASP 96 Cb -0.23 -1.52 1.09 0.00 -1.46 0.00 0.00 42.92 40.79 1duz s ASP 96 CO 0.24 -0.03 1.57 0.08 0.52 0.00 0.00 175.17 177.54 1duz h ARG 97 N 7.94 0.00 -0.68 4.34 0.11 -1.96 -1.81 114.38 122.32 1duz h ARG 97 Ca -0.41 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.32 1duz h ARG 97 Cb 1.13 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.00 1duz h ARG 97 CO 0.61 0.00 0.29 -3.47 0.10 0.00 0.00 179.97 177.50 1duz n ASP 98 N -2.26 3.19 0.00 0.08 2.03 -1.26 -4.79 116.55 113.55 1duz n ASP 98 Ca -0.01 -3.67 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1duz n ASP 98 Cb 0.18 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1duz n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51