#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqk s ASP 2 N 0.00 3.75 0.18 0.00 1.01 -1.26 -1.35 116.67 119.00 1bqk s ASP 2 Ca 0.00 -0.29 0.06 0.00 0.71 0.00 0.00 52.55 53.03 1bqk s ASP 2 Cb 0.00 -0.82 -0.05 0.00 1.01 0.00 0.00 42.92 43.07 1bqk s ASP 2 CO 0.00 0.31 -0.11 -0.36 0.21 0.00 0.00 175.17 175.22 1bqk s PHE 3 N -0.55 1.51 -0.03 4.23 0.40 0.14 -4.97 117.98 118.70 1bqk s PHE 3 Ca 0.08 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 1bqk s PHE 3 Cb -0.11 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 1bqk s PHE 3 CO 0.01 0.20 -0.16 -1.21 0.70 0.00 0.00 175.22 174.77 1bqk s GLU 4 N -3.71 1.45 -0.09 0.44 2.02 -1.26 -1.07 118.70 116.47 1bqk s GLU 4 Ca 0.21 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.67 1bqk s GLU 4 Cb 0.01 -1.33 0.01 0.00 0.10 0.00 0.00 34.13 32.93 1bqk s GLU 4 CO 0.04 0.27 -0.18 0.08 0.02 0.00 0.00 175.26 175.50 1bqk s VAL 5 N -0.13 1.61 -0.13 2.63 1.01 -0.30 -4.59 120.40 120.50 1bqk s VAL 5 Ca 0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1bqk s VAL 5 Cb -0.09 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1bqk s VAL 5 CO 0.01 0.46 0.13 -1.00 0.00 0.00 0.00 175.10 174.70 1bqk s HIS 6 N 0.64 3.55 -0.36 5.22 3.76 0.11 -0.67 115.29 127.54 1bqk s HIS 6 Ca -0.14 0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 55.13 1bqk s HIS 6 Cb -0.16 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 1bqk s HIS 6 CO 0.04 0.65 0.24 -1.64 -0.85 0.00 0.00 174.74 173.18 1bqk s MET 7 N -0.79 3.26 0.07 1.40 -1.94 -0.46 -0.94 119.30 119.90 1bqk s MET 7 Ca 0.14 -0.80 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 1bqk s MET 7 Cb -0.12 -3.81 -0.03 0.00 2.01 0.00 0.00 34.83 32.88 1bqk s MET 7 CO 0.03 -0.55 -0.18 -0.51 -0.01 0.00 0.00 175.02 173.79 1bqk s LEU 8 N 1.68 2.25 0.30 -0.03 1.43 -0.56 -2.16 118.68 121.58 1bqk s LEU 8 Ca 0.05 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1bqk s LEU 8 Cb -0.18 -0.78 0.45 0.00 0.03 0.00 0.00 46.19 45.71 1bqk s LEU 8 CO 0.09 0.05 1.67 0.78 0.23 0.00 0.00 176.35 179.17 1bqk h ASN 9 N 4.41 0.07 -4.20 2.29 2.35 -1.92 -1.53 115.58 117.05 1bqk h ASN 9 Ca -0.43 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.18 1bqk h ASN 9 Cb 1.18 -0.02 -0.22 0.00 0.05 0.00 0.00 38.32 39.30 1bqk h ASN 9 CO 0.41 0.58 -0.13 -1.59 -1.65 0.00 0.00 177.43 175.05 1bqk s LYS 10 N -3.86 0.63 0.00 0.81 -2.85 -1.26 -0.58 119.74 112.63 1bqk s LYS 10 Ca -0.03 0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1bqk s LYS 10 Cb 0.13 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1bqk s LYS 10 CO 0.76 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 176.51 1bqk n GLY 11 N 2.36 3.31 0.37 0.59 0.00 -0.03 -4.97 105.19 106.82 1bqk n GLY 11 Ca -0.15 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 44.73 1bqk n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bqk h LYS 12 N 0.00 0.97 -0.19 1.61 3.64 -2.01 -1.26 116.57 119.32 1bqk h LYS 12 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1bqk h LYS 12 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1bqk h LYS 12 CO 0.00 0.64 0.00 -3.47 -2.27 0.00 0.00 179.45 174.35 1bqk n ASP 13 N -4.55 1.12 0.00 4.20 2.03 -1.26 -5.02 116.55 113.07 1bqk n ASP 13 Ca 0.16 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.55 1bqk n ASP 13 Cb 0.29 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1bqk n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bqk n GLY 14 N 0.87 -0.18 3.82 0.27 0.00 -0.48 -5.03 105.19 104.47 1bqk n GLY 14 Ca 0.09 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 1bqk n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqk s ALA 15 N -2.00 3.19 -0.51 4.61 0.00 -1.26 -0.85 121.76 124.94 1bqk s ALA 15 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.12 1bqk s ALA 15 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1bqk s ALA 15 CO 0.00 0.22 0.63 -1.33 0.00 0.00 0.00 175.76 175.27 1bqk n MET 16 N -0.16 -2.10 -4.22 0.00 2.81 0.25 -4.84 117.12 108.86 1bqk n MET 16 Ca 0.04 1.89 -0.16 0.00 -1.81 0.00 0.00 57.70 57.65 1bqk n MET 16 Cb 0.53 -5.25 -0.11 0.00 -0.71 0.00 0.00 33.22 27.68 1bqk n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1bqk s VAL 17 N -2.59 1.20 -0.16 2.03 -7.23 -0.57 -3.55 120.40 109.52 1bqk s VAL 17 Ca 0.20 -1.75 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1bqk s VAL 17 Cb -0.05 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1bqk s VAL 17 CO 0.78 -0.51 0.14 -0.36 -0.31 0.00 0.00 175.10 174.85 1bqk s PHE 18 N -2.41 3.51 -0.14 2.82 0.08 -1.26 -1.49 117.98 119.09 1bqk s PHE 18 Ca 0.09 0.45 -0.01 0.00 0.12 0.00 0.00 56.93 57.58 1bqk s PHE 18 Cb -0.03 -2.06 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1bqk s PHE 18 CO 0.02 0.52 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.42 1bqk s GLU 19 N -0.36 1.13 0.61 0.44 2.02 -0.12 -2.85 118.70 119.56 1bqk s GLU 19 Ca 0.12 -0.33 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 1bqk s GLU 19 Cb -0.12 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 1bqk s GLU 19 CO 0.01 -0.42 1.04 -1.25 0.02 0.00 0.00 175.26 174.66 1bqk s PRO 20 N 1.76 3.42 0.00 0.39 0.04 -1.26 -0.72 135.00 138.63 1bqk s PRO 20 Ca 0.02 0.99 0.25 0.00 0.04 0.00 0.00 61.00 62.29 1bqk s PRO 20 Cb -0.15 -2.05 0.41 0.00 0.04 0.00 0.00 34.50 32.75 1bqk s PRO 20 CO -0.07 -0.72 1.35 0.00 0.04 0.00 0.00 177.00 177.60 1bqk n ALA 21 N -2.37 3.43 -3.72 8.56 0.00 -1.13 -4.82 120.51 120.45 1bqk n ALA 21 Ca 0.07 -0.49 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 1bqk n ALA 21 Cb 0.54 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.82 1bqk n ALA 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bqk s SER 22 N -2.59 1.10 -0.05 0.00 0.15 -1.26 -0.77 113.70 110.28 1bqk s SER 22 Ca 0.20 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 1bqk s SER 22 Cb 0.18 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1bqk s SER 22 CO 0.59 -0.18 0.13 -0.22 1.20 0.00 0.00 173.24 174.75 1bqk s LEU 23 N 1.73 1.50 -0.17 3.45 2.96 -0.82 -5.00 118.68 122.33 1bqk s LEU 23 Ca 0.00 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1bqk s LEU 23 Cb -0.13 0.44 -0.01 0.00 0.50 0.00 0.00 46.19 47.00 1bqk s LEU 23 CO -0.03 -0.05 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.10 1bqk s LYS 24 N 0.08 3.35 0.31 1.98 2.20 -1.26 -0.74 119.74 125.66 1bqk s LYS 24 Ca -0.00 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1bqk s LYS 24 Cb -0.01 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1bqk s LYS 24 CO 0.00 0.01 -0.03 0.14 -0.36 0.00 0.00 175.35 175.11 1bqk s VAL 25 N 0.89 1.62 0.37 4.02 -7.23 0.23 -4.96 120.40 115.33 1bqk s VAL 25 Ca -0.02 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1bqk s VAL 25 Cb -0.15 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1bqk s VAL 25 CO 0.00 -0.19 0.65 0.00 -0.31 0.00 0.00 175.10 175.25 1bqk s ALA 26 N -3.02 3.53 0.19 1.32 0.00 -1.26 -0.75 121.76 121.78 1bqk s ALA 26 Ca 0.32 -0.53 -0.33 0.00 0.00 0.00 0.00 51.96 51.42 1bqk s ALA 26 Cb 0.06 -2.42 -0.13 0.00 0.00 0.00 0.00 23.12 20.63 1bqk s ALA 26 CO 0.14 0.01 1.59 -2.30 0.00 0.00 0.00 175.76 175.20 1bqk n PRO 27 N -1.45 2.33 -0.12 0.00 -0.02 -1.26 -1.15 135.00 133.34 1bqk n PRO 27 Ca -0.01 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1bqk n PRO 27 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1bqk n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bqk n GLY 28 N 3.27 1.14 3.81 -1.23 0.00 -0.01 -5.03 105.19 107.14 1bqk n GLY 28 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1bqk n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqk s ASP 29 N -2.90 5.23 0.05 1.61 1.01 -0.30 -4.68 116.67 116.68 1bqk s ASP 29 Ca 0.00 1.69 0.07 0.00 0.71 0.00 0.00 52.55 55.02 1bqk s ASP 29 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1bqk s ASP 29 CO 0.00 -1.55 -0.16 0.42 0.21 0.00 0.00 175.17 174.10 1bqk s THR 30 N -2.94 2.98 -0.09 -1.27 -4.23 -0.46 -1.54 115.64 108.10 1bqk s THR 30 Ca 0.59 -1.15 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 1bqk s THR 30 Cb -0.15 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1bqk s THR 30 CO 0.53 0.31 -0.13 -0.69 -0.54 0.00 0.00 174.62 174.11 1bqk s VAL 31 N -0.98 1.24 -0.22 2.29 1.01 -0.35 -0.69 120.40 122.71 1bqk s VAL 31 Ca 0.16 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1bqk s VAL 31 Cb -0.11 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1bqk s VAL 31 CO 0.07 0.39 0.11 -0.89 0.00 0.00 0.00 175.10 174.77 1bqk s THR 32 N 0.93 4.99 -0.36 3.92 2.01 -0.24 -1.11 115.64 125.78 1bqk s THR 32 Ca -0.09 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1bqk s THR 32 Cb -0.15 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 1bqk s THR 32 CO 0.00 0.39 0.52 -0.36 -0.69 0.00 0.00 174.62 174.48 1bqk s PHE 33 N 0.86 3.17 -0.18 4.92 0.08 0.38 -1.15 117.98 126.05 1bqk s PHE 33 Ca 0.06 0.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 1bqk s PHE 33 Cb -0.13 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 1bqk s PHE 33 CO 0.03 -0.57 0.03 0.42 -0.10 0.00 0.00 175.22 175.02 1bqk s ILE 34 N 2.41 4.39 -1.38 0.64 1.01 0.15 -1.74 121.20 126.68 1bqk s ILE 34 Ca 0.19 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 1bqk s ILE 34 Cb -0.15 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1bqk s ILE 34 CO 0.14 0.45 2.16 -0.81 0.00 0.00 0.00 174.94 176.88 1bqk n PRO 35 N 3.76 2.74 -0.25 2.79 -0.04 -1.26 -1.35 135.00 141.40 1bqk n PRO 35 Ca -0.17 -2.58 -0.06 0.00 -0.04 0.00 0.00 63.50 60.65 1bqk n PRO 35 Cb 0.52 -3.27 0.05 0.00 -0.04 0.00 0.00 33.50 30.75 1bqk n PRO 35 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1bqk h THR 36 N 4.18 1.23 -3.19 0.52 2.02 -1.92 -3.40 112.91 112.35 1bqk h THR 36 Ca 0.54 -0.63 -0.63 0.00 0.77 0.00 0.00 66.41 66.46 1bqk h THR 36 Cb 0.66 0.37 -0.10 0.00 -1.74 0.00 0.00 68.15 67.34 1bqk h THR 36 CO 1.86 0.26 -0.63 -1.81 0.37 0.00 0.00 175.52 175.58 1bqk s ASP 37 N -6.09 5.28 0.59 4.18 1.01 -0.92 -5.05 116.67 115.67 1bqk s ASP 37 Ca -0.13 -0.11 -0.13 0.00 0.71 0.00 0.00 52.55 52.89 1bqk s ASP 37 Cb 0.14 -1.34 -0.05 0.00 1.01 0.00 0.00 42.92 42.69 1bqk s ASP 37 CO 0.80 0.16 1.02 -0.54 0.21 0.00 0.00 175.17 176.82 1bqk s LYS 38 N -2.46 3.64 0.00 8.23 -0.14 -1.26 -4.41 119.74 123.34 1bqk s LYS 38 Ca 0.28 0.87 0.00 0.00 -1.36 0.00 0.00 55.97 55.76 1bqk s LYS 38 Cb -0.12 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 1bqk s LYS 38 CO 0.20 -0.53 0.00 0.41 -0.76 0.00 0.00 175.35 174.67 1bqk n GLY 39 N -2.16 0.94 3.45 -3.33 0.00 -1.26 -4.98 105.19 97.85 1bqk n GLY 39 Ca 0.07 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1bqk n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bqk s HIS 40 N -2.00 2.12 0.15 1.61 3.76 -1.26 -4.89 115.29 114.78 1bqk s HIS 40 Ca 0.00 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1bqk s HIS 40 Cb 0.00 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1bqk s HIS 40 CO 0.00 0.55 0.21 0.27 -0.85 0.00 0.00 174.74 174.92 1bqk n ASN 41 N -0.59 -0.60 -3.97 1.40 6.94 -1.26 -1.55 115.26 115.64 1bqk n ASN 41 Ca -0.06 -1.79 -0.17 0.00 -0.02 0.00 0.00 54.58 52.54 1bqk n ASN 41 Cb 0.61 1.10 -0.15 0.00 -2.36 0.00 0.00 39.78 38.99 1bqk n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1bqk s VAL 42 N -2.59 0.50 -0.08 3.53 0.11 -1.26 -4.13 120.40 116.48 1bqk s VAL 42 Ca 0.12 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.81 1bqk s VAL 42 Cb -0.01 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1bqk s VAL 42 CO 0.09 0.15 0.27 -0.70 -3.33 0.00 0.00 175.10 171.57 1bqk s GLU 43 N -0.05 0.40 0.48 1.54 2.12 0.44 -0.67 118.70 122.96 1bqk s GLU 43 Ca 0.01 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.32 1bqk s GLU 43 Cb -0.04 0.19 -0.07 0.00 0.26 0.00 0.00 34.13 34.47 1bqk s GLU 43 CO -0.00 -0.07 1.16 0.95 -0.54 0.00 0.00 175.26 176.76 1bqk s THR 44 N -0.29 3.08 -0.01 -1.70 -4.23 -0.55 -0.33 115.64 111.61 1bqk s THR 44 Ca -0.04 0.77 -0.23 0.00 -1.18 0.00 0.00 61.69 61.01 1bqk s THR 44 Cb -0.03 -3.37 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1bqk s THR 44 CO 0.01 -0.05 0.71 -0.63 -0.54 0.00 0.00 174.62 174.12 1bqk s ILE 45 N -1.59 4.89 0.22 2.99 1.01 -0.21 -4.80 121.20 123.70 1bqk s ILE 45 Ca 0.66 1.48 -0.32 0.00 0.00 0.00 0.00 60.65 62.47 1bqk s ILE 45 Cb -0.28 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.01 1bqk s ILE 45 CO 0.33 0.33 1.56 0.29 0.00 0.00 0.00 174.94 177.45 1bqk n LYS 46 N 3.15 2.34 -0.91 2.79 5.02 -1.26 -1.51 118.16 127.78 1bqk n LYS 46 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1bqk n LYS 46 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1bqk n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bqk n GLY 47 N 2.86 0.81 1.75 0.72 0.00 -1.26 -4.84 105.19 105.23 1bqk n GLY 47 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1bqk n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bqk n MET 48 N -2.33 2.50 -4.21 1.61 2.81 -0.57 -4.56 117.12 112.37 1bqk n MET 48 Ca 0.00 -3.66 -0.18 0.00 -1.81 0.00 0.00 57.70 52.04 1bqk n MET 48 Cb 0.00 -1.81 -0.12 0.00 -0.71 0.00 0.00 33.22 30.57 1bqk n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1bqk s ILE 49 N -3.74 1.03 0.80 2.02 -4.36 -1.26 -1.00 121.20 114.68 1bqk s ILE 49 Ca 0.42 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.54 1bqk s ILE 49 Cb 0.38 -0.98 0.07 0.00 1.25 0.00 0.00 42.46 43.18 1bqk s ILE 49 CO -0.02 -0.17 1.11 -2.16 0.24 0.00 0.00 174.94 173.95 1bqk s PRO 50 N -1.50 2.08 0.39 0.37 0.04 -1.26 -4.96 135.00 130.16 1bqk s PRO 50 Ca -0.02 0.47 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 1bqk s PRO 50 Cb -0.09 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1bqk s PRO 50 CO 0.02 -1.59 1.46 -0.51 0.04 0.00 0.00 177.00 176.42 1bqk s ASP 51 N -4.12 6.28 0.00 6.66 1.01 -1.26 -2.21 116.67 123.03 1bqk s ASP 51 Ca 0.61 2.99 0.00 0.00 0.71 0.00 0.00 52.55 56.86 1bqk s ASP 51 Cb -0.13 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1bqk s ASP 51 CO 0.53 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1bqk n GLY 52 N 0.51 1.64 3.94 0.21 0.00 -1.26 -4.82 105.19 105.41 1bqk n GLY 52 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1bqk n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqk s ALA 53 N -2.96 3.76 0.03 4.61 0.00 -0.94 -4.73 121.76 121.54 1bqk s ALA 53 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1bqk s ALA 53 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1bqk s ALA 53 CO 0.00 0.16 -0.05 -1.83 0.00 0.00 0.00 175.76 174.04 1bqk s GLU 54 N -3.95 2.53 0.70 0.00 -1.05 -1.26 -4.92 118.70 110.75 1bqk s GLU 54 Ca 0.39 -0.77 -0.14 0.00 -0.15 0.00 0.00 54.97 54.30 1bqk s GLU 54 Cb -0.10 -2.51 0.02 0.00 -0.44 0.00 0.00 34.13 31.10 1bqk s GLU 54 CO 0.33 0.58 1.13 0.00 0.95 0.00 0.00 175.26 178.24 1bqk s ALA 55 N -1.10 2.33 0.06 -0.84 0.00 -1.26 -5.06 121.76 115.89 1bqk s ALA 55 Ca 0.20 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 1bqk s ALA 55 Cb -0.11 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1bqk s ALA 55 CO 0.11 -1.52 0.09 -0.59 0.00 0.00 0.00 175.76 173.85 1bqk s PHE 56 N -2.36 0.28 -0.22 0.00 -0.12 -1.26 -5.01 117.98 109.29 1bqk s PHE 56 Ca 0.68 -0.71 -0.05 0.00 -0.05 0.00 0.00 56.93 56.80 1bqk s PHE 56 Cb -0.22 -0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.09 1bqk s PHE 56 CO 0.45 -0.42 0.40 0.21 -0.05 0.00 0.00 175.22 175.80 1bqk s LYS 57 N -3.40 0.33 0.65 1.99 2.20 -1.26 -1.48 119.74 118.77 1bqk s LYS 57 Ca 0.02 0.79 -0.05 0.00 -0.36 0.00 0.00 55.97 56.37 1bqk s LYS 57 Cb 0.04 -0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1bqk s LYS 57 CO -0.08 -0.44 0.95 -1.54 -0.36 0.00 0.00 175.35 173.87 1bqk s SER 58 N 2.58 5.08 0.32 1.43 1.04 0.15 -5.00 113.70 119.31 1bqk s SER 58 Ca 0.06 0.45 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 1bqk s SER 58 Cb -0.14 -1.22 -0.08 0.00 0.10 0.00 0.00 66.02 64.68 1bqk s SER 58 CO -0.14 -1.39 0.71 -0.54 0.98 0.00 0.00 173.24 172.86 1bqk s LYS 59 N -5.11 3.93 0.23 4.02 -0.14 -1.26 -4.57 119.74 116.85 1bqk s LYS 59 Ca 0.58 0.57 -0.31 0.00 -1.36 0.00 0.00 55.97 55.45 1bqk s LYS 59 Cb -0.11 -2.46 -0.13 0.00 -1.68 0.00 0.00 37.83 33.45 1bqk s LYS 59 CO 0.44 0.15 1.41 -0.89 -0.76 0.00 0.00 175.35 175.69 1bqk n ILE 60 N -0.50 0.90 -0.68 2.17 2.08 -1.26 -2.36 119.36 119.72 1bqk n ILE 60 Ca 0.03 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1bqk n ILE 60 Cb 0.53 -1.45 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 1bqk n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1bqk n ASN 61 N 2.20 0.00 -4.85 4.38 3.02 -0.60 -4.97 115.26 114.45 1bqk n ASN 61 Ca 0.12 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 1bqk n ASN 61 Cb 0.31 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1bqk n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1bqk s GLU 62 N -0.09 3.99 -0.35 3.52 -1.05 -1.00 -4.79 118.70 118.93 1bqk s GLU 62 Ca 0.00 0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 55.09 1bqk s GLU 62 Cb 0.00 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 31.01 1bqk s GLU 62 CO 0.00 0.32 1.16 -0.80 0.95 0.00 0.00 175.26 176.89 1bqk s ASN 63 N -2.05 6.78 -0.26 0.83 -0.87 -1.26 -4.52 114.94 113.58 1bqk s ASN 63 Ca 0.46 0.97 -0.02 0.00 -1.57 0.00 0.00 52.86 52.71 1bqk s ASN 63 Cb -0.13 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.59 1bqk s ASN 63 CO 0.19 -1.03 -0.04 -0.47 -2.57 0.00 0.00 177.10 173.18 1bqk s TYR 64 N 4.08 3.13 -0.20 2.20 5.04 -0.71 -4.95 117.35 125.93 1bqk s TYR 64 Ca 0.50 -1.63 -0.11 0.00 -2.44 0.00 0.00 57.07 53.39 1bqk s TYR 64 Cb -0.12 -2.08 -0.05 0.00 0.35 0.00 0.00 41.96 40.06 1bqk s TYR 64 CO 0.21 -0.74 0.20 0.15 -1.34 0.00 0.00 175.55 174.03 1bqk s LYS 65 N 1.31 4.18 -0.10 4.97 1.02 -1.26 -0.47 119.74 129.39 1bqk s LYS 65 Ca -0.01 -0.12 0.04 0.00 0.02 0.00 0.00 55.97 55.89 1bqk s LYS 65 Cb -0.18 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1bqk s LYS 65 CO -0.03 0.20 -0.22 0.08 -0.92 0.00 0.00 175.35 174.46 1bqk s VAL 66 N 0.62 1.93 -0.36 3.17 1.01 -0.27 -4.99 120.40 121.52 1bqk s VAL 66 Ca 0.11 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1bqk s VAL 66 Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1bqk s VAL 66 CO 0.02 0.53 0.34 -0.89 0.00 0.00 0.00 175.10 175.10 1bqk s THR 67 N 0.39 5.19 -0.12 3.92 2.01 -1.26 -1.21 115.64 124.56 1bqk s THR 67 Ca -0.18 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1bqk s THR 67 Cb -0.18 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1bqk s THR 67 CO 0.08 -0.14 1.06 -0.36 -0.69 0.00 0.00 174.62 174.57 1bqk s PHE 68 N 1.95 3.40 0.00 4.92 0.08 -0.59 -4.95 117.98 122.78 1bqk s PHE 68 Ca 0.10 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1bqk s PHE 68 Cb -0.17 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 1bqk s PHE 68 CO 0.12 -0.53 0.00 0.25 -0.10 0.00 0.00 175.22 174.96 1bqk n THR 69 N 4.71 0.00 -2.15 0.64 -2.24 -1.26 -0.83 114.28 113.14 1bqk n THR 69 Ca 0.10 0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.79 1bqk n THR 69 Cb 0.48 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 1bqk n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bqk s ALA 70 N -3.34 3.52 0.59 6.98 0.00 -1.26 -4.49 121.76 123.76 1bqk s ALA 70 Ca 0.00 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 1bqk s ALA 70 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1bqk s ALA 70 CO 0.00 -0.59 1.08 -1.25 0.00 0.00 0.00 175.76 175.00 1bqk s PRO 71 N -1.10 3.21 0.00 0.00 0.04 -1.26 -4.90 135.00 131.00 1bqk s PRO 71 Ca 0.52 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1bqk s PRO 71 Cb -0.39 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1bqk s PRO 71 CO 0.47 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1bqk n GLY 72 N -0.58 0.89 3.77 0.56 0.00 -0.41 -4.79 105.19 104.63 1bqk n GLY 72 Ca 0.10 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 1bqk n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqk s VAL 73 N -1.37 5.38 -0.17 1.61 1.01 -1.26 -0.16 120.40 125.44 1bqk s VAL 73 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1bqk s VAL 73 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1bqk s VAL 73 CO 0.00 0.47 -0.10 -0.31 0.00 0.00 0.00 175.10 175.16 1bqk s TYR 74 N -0.00 2.87 -0.12 5.22 1.51 0.45 -3.98 117.35 123.31 1bqk s TYR 74 Ca 0.13 -0.89 -0.16 0.00 -1.01 0.00 0.00 57.07 55.14 1bqk s TYR 74 Cb -0.12 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1bqk s TYR 74 CO 0.02 -0.42 0.41 0.20 -1.11 0.00 0.00 175.55 174.64 1bqk s GLY 75 N 0.93 2.34 0.11 0.71 0.00 -0.17 -1.00 107.32 110.25 1bqk s GLY 75 Ca -0.02 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.50 1bqk s GLY 75 CO -0.00 0.59 -0.21 -1.34 0.00 0.00 0.00 173.10 172.14 1bqk s VAL 76 N 0.39 1.77 0.13 1.40 -7.23 -0.28 -1.05 120.40 115.53 1bqk s VAL 76 Ca 0.23 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1bqk s VAL 76 Cb -0.15 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1bqk s VAL 76 CO 0.08 -0.09 0.00 -1.59 -0.31 0.00 0.00 175.10 173.19 1bqk s LYS 77 N -2.07 0.94 -0.25 4.82 -2.85 0.55 -0.97 119.74 119.91 1bqk s LYS 77 Ca 0.08 -1.43 -0.16 0.00 -1.00 0.00 0.00 55.97 53.47 1bqk s LYS 77 Cb -0.09 -0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.61 1bqk s LYS 77 CO 0.05 -0.15 0.41 0.00 0.10 0.00 0.00 175.35 175.76 1bqk h THR 79 N 5.27 0.45 0.00 0.00 2.02 -1.90 -1.00 112.91 117.76 1bqk h THR 79 Ca -0.32 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1bqk h THR 79 Cb 1.16 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1bqk h THR 79 CO 0.68 0.00 -0.28 1.55 0.37 0.00 0.00 175.52 177.85 1bqk h PRO 80 N -0.23 0.00 -0.28 6.66 0.13 -1.95 -3.21 132.00 133.13 1bqk h PRO 80 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bqk h PRO 80 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1bqk h PRO 80 CO -0.34 0.28 0.00 0.72 -0.23 0.00 0.00 178.00 178.42 1bqk n HIS 81 N -3.44 0.90 -0.27 1.56 8.25 -0.90 -4.63 115.22 116.70 1bqk n HIS 81 Ca 0.00 -0.83 -0.06 0.00 -0.26 0.00 0.00 57.72 56.57 1bqk n HIS 81 Cb 0.46 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 31.34 1bqk n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1bqk h TYR 82 N 1.88 1.13 0.00 4.41 3.20 -1.20 -1.56 116.97 124.82 1bqk h TYR 82 Ca 0.00 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 1bqk h TYR 82 Cb 1.36 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1bqk h TYR 82 CO 0.47 0.87 -0.15 0.78 -1.64 0.00 0.00 178.16 178.49 1bqk h GLY 83 N 1.06 0.00 0.33 1.82 0.00 -1.86 -1.35 103.07 103.07 1bqk h GLY 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1bqk h GLY 83 CO -0.02 0.00 -0.02 1.03 0.00 0.00 0.00 176.54 177.53 1bqk n MET 84 N -3.42 1.25 -0.36 4.80 2.81 -0.66 -4.58 117.12 116.95 1bqk n MET 84 Ca -0.01 -0.47 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 1bqk n MET 84 Cb 0.33 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1bqk n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bqk n GLY 85 N 1.12 0.79 3.51 3.03 0.00 -0.51 -4.81 105.19 108.32 1bqk n GLY 85 Ca 0.20 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1bqk n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1bqk s MET 86 N -0.70 3.55 0.11 1.61 -2.45 -0.77 -4.67 119.30 115.97 1bqk s MET 86 Ca 0.00 -1.32 -0.03 0.00 -1.25 0.00 0.00 55.69 53.09 1bqk s MET 86 Cb 0.00 -5.05 -0.03 0.00 1.25 0.00 0.00 34.83 31.00 1bqk s MET 86 CO 0.00 -2.00 0.08 0.14 1.05 0.00 0.00 175.02 174.28 1bqk s VAL 87 N 4.01 0.13 0.31 10.11 -7.23 -1.26 -1.28 120.40 125.20 1bqk s VAL 87 Ca 0.38 -1.74 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 1bqk s VAL 87 Cb -0.03 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.13 1bqk s VAL 87 CO -0.07 -0.61 0.69 -0.83 -0.31 0.00 0.00 175.10 173.97 1bqk s GLY 88 N -2.98 0.24 -0.01 2.32 0.00 -0.15 -4.44 107.32 102.29 1bqk s GLY 88 Ca 0.16 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1bqk s GLY 88 CO -0.03 -0.29 -0.05 -1.34 0.00 0.00 0.00 173.10 171.39 1bqk s VAL 89 N -3.40 0.43 -0.16 1.40 -7.23 0.05 -1.12 120.40 110.36 1bqk s VAL 89 Ca 0.15 -0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.15 1bqk s VAL 89 Cb -0.05 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.51 1bqk s VAL 89 CO 0.09 0.15 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.15 1bqk s VAL 90 N 0.20 1.95 -0.23 1.32 1.01 -0.17 -1.95 120.40 122.53 1bqk s VAL 90 Ca -0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1bqk s VAL 90 Cb -0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1bqk s VAL 90 CO -0.00 0.52 0.28 -1.58 0.00 0.00 0.00 175.10 174.32 1bqk s GLN 91 N 1.23 4.09 -0.35 2.72 0.74 0.09 -0.41 119.66 127.77 1bqk s GLN 91 Ca 0.02 -0.05 -0.07 0.00 0.05 0.00 0.00 55.36 55.31 1bqk s GLN 91 Cb -0.13 -3.56 0.04 0.00 1.10 0.00 0.00 33.01 30.46 1bqk s GLN 91 CO -0.10 -0.04 0.14 0.08 -0.55 0.00 0.00 175.29 174.82 1bqk s VAL 92 N 1.33 3.96 0.00 1.34 1.01 0.77 -0.60 120.40 128.21 1bqk s VAL 92 Ca 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1bqk s VAL 92 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1bqk s VAL 92 CO 0.07 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1bqk n GLY 93 N 4.85 -0.76 3.91 4.51 0.00 0.07 -1.28 105.19 116.49 1bqk n GLY 93 Ca -0.12 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 1bqk n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqk s ASP 94 N -2.11 6.23 -0.98 1.61 1.01 -1.26 -4.60 116.67 116.57 1bqk s ASP 94 Ca 0.00 0.91 -0.13 0.00 0.71 0.00 0.00 52.55 54.04 1bqk s ASP 94 Cb 0.00 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1bqk s ASP 94 CO 0.00 -0.60 0.67 0.00 0.21 0.00 0.00 175.17 175.45 1bqk n ALA 95 N -2.27 -2.68 -1.92 5.23 0.00 -1.26 -4.84 120.51 112.77 1bqk n ALA 95 Ca 0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1bqk n ALA 95 Cb 0.55 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1bqk n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bqk s PRO 96 N -5.59 4.17 0.52 0.00 0.04 -1.26 -4.88 135.00 128.00 1bqk s PRO 96 Ca 0.22 2.30 0.31 0.00 0.04 0.00 0.00 61.00 63.87 1bqk s PRO 96 Cb -0.10 -4.02 1.18 0.00 0.04 0.00 0.00 34.50 31.59 1bqk s PRO 96 CO 0.90 -0.87 1.92 0.00 0.04 0.00 0.00 177.00 178.98 1bqk h ALA 97 N 9.79 1.00 -0.68 8.56 0.00 -1.88 -3.00 119.26 133.05 1bqk h ALA 97 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bqk h ALA 97 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bqk h ALA 97 CO 0.95 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.50 1bqk n ASN 98 N -3.13 4.35 -0.03 0.00 6.94 -1.26 -4.62 115.26 117.51 1bqk n ASN 98 Ca 0.01 -2.24 -0.08 0.00 -0.02 0.00 0.00 54.58 52.24 1bqk n ASN 98 Cb 0.35 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.21 1bqk n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bqk h LEU 99 N 4.09 -0.24 -1.15 -4.53 5.85 -1.90 -0.99 115.31 116.44 1bqk h LEU 99 Ca 0.00 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1bqk h LEU 99 Cb 1.23 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1bqk h LEU 99 CO 0.12 -0.09 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.47 1bqk h GLU 100 N -0.03 0.15 -0.38 1.25 4.39 -1.85 -2.67 114.58 115.45 1bqk h GLU 100 Ca 0.10 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1bqk h GLU 100 Cb 0.18 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1bqk h GLU 100 CO -0.21 0.48 -0.27 0.00 -1.16 0.00 0.00 179.01 177.84 1bqk h ALA 101 N 1.52 0.81 -0.12 3.43 0.00 -1.72 -2.94 119.26 120.24 1bqk h ALA 101 Ca 0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1bqk h ALA 101 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1bqk h ALA 101 CO 0.05 0.64 -0.33 0.28 0.00 0.00 0.00 179.25 179.89 1bqk h VAL 102 N 0.68 1.27 0.00 0.00 2.07 -1.01 -2.72 116.25 116.54 1bqk h VAL 102 Ca 0.08 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1bqk h VAL 102 Cb 0.80 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1bqk h VAL 102 CO 0.07 0.39 -0.21 0.11 0.02 0.00 0.00 177.57 177.95 1bqk h LYS 103 N 0.20 0.00 -0.00 1.57 1.57 -1.29 -2.71 116.57 115.90 1bqk h LYS 103 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1bqk h LYS 103 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1bqk h LYS 103 CO 0.05 0.21 -0.32 0.41 -0.57 0.00 0.00 179.45 179.24 1bqk n GLY 104 N -0.65 -0.93 3.76 3.86 0.00 -1.03 -4.93 105.19 105.27 1bqk n GLY 104 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1bqk n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqk s ALA 105 N -2.70 2.84 -0.07 4.61 0.00 -1.02 -4.99 121.76 120.42 1bqk s ALA 105 Ca 0.20 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1bqk s ALA 105 Cb 0.19 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1bqk s ALA 105 CO 0.58 -1.10 0.47 0.15 0.00 0.00 0.00 175.76 175.86 1bqk s LYS 106 N -2.89 4.24 0.07 0.00 -0.14 -1.26 -5.08 119.74 114.68 1bqk s LYS 106 Ca 0.70 0.47 -0.04 0.00 -1.36 0.00 0.00 55.97 55.73 1bqk s LYS 106 Cb -0.35 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1bqk s LYS 106 CO 0.41 0.32 0.06 -0.80 -0.76 0.00 0.00 175.35 174.59 1bqk s ASN 107 N 0.09 0.33 0.66 2.83 0.01 -1.26 -5.02 114.94 112.58 1bqk s ASN 107 Ca 0.26 -0.85 -0.17 0.00 -0.71 0.00 0.00 52.86 51.39 1bqk s ASN 107 Cb -0.16 0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1bqk s ASN 107 CO 0.12 -0.65 1.23 -2.16 -1.51 0.00 0.00 177.10 174.13 1bqk s PRO 108 N -3.85 2.53 0.19 -0.60 0.04 -1.26 -4.61 135.00 127.43 1bqk s PRO 108 Ca 0.06 1.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 1bqk s PRO 108 Cb 0.06 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.86 1bqk s PRO 108 CO -0.10 -1.56 1.58 -0.22 0.04 0.00 0.00 177.00 176.74 1bqk h LYS 109 N 0.30 -0.15 -0.63 4.56 1.63 -1.96 -0.29 116.57 120.04 1bqk h LYS 109 Ca -0.49 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.26 1bqk h LYS 109 Cb 1.31 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.94 1bqk h LYS 109 CO 0.52 -0.10 0.18 0.87 -3.45 0.00 0.00 179.45 177.47 1bqk h LYS 110 N -0.15 0.97 -0.39 1.90 1.57 -1.91 -1.20 116.57 117.36 1bqk h LYS 110 Ca 0.24 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1bqk h LYS 110 Cb 0.55 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1bqk h LYS 110 CO -0.70 0.85 -0.06 0.00 -0.57 0.00 0.00 179.45 178.97 1bqk h ALA 111 N 1.26 0.54 -0.71 3.86 0.00 -1.54 -2.99 119.26 119.68 1bqk h ALA 111 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bqk h ALA 111 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1bqk h ALA 111 CO -0.00 0.37 0.36 0.37 0.00 0.00 0.00 179.25 180.34 1bqk h GLN 112 N 0.55 1.00 -0.71 0.00 5.75 -0.47 0.11 115.11 121.34 1bqk h GLN 112 Ca 0.10 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1bqk h GLN 112 Cb 0.56 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1bqk h GLN 112 CO 0.03 0.76 0.41 0.93 -2.65 0.00 0.00 178.83 178.31 1bqk h GLU 113 N 1.00 0.98 0.02 1.69 5.08 -1.22 0.38 114.58 122.52 1bqk h GLU 113 Ca 0.25 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 1bqk h GLU 113 Cb 0.07 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1bqk h GLU 113 CO -0.04 0.71 -0.96 0.00 -1.00 0.00 0.00 179.01 177.73 1bqk h ARG 114 N 0.98 0.12 -0.33 2.33 3.08 -1.31 -2.89 114.38 116.35 1bqk h ARG 114 Ca 0.25 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1bqk h ARG 114 Cb -0.00 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1bqk h ARG 114 CO -0.04 0.99 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.33 1bqk h LEU 115 N 0.05 0.93 -0.89 3.04 3.38 -0.43 -0.72 115.31 120.67 1bqk h LEU 115 Ca -0.04 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1bqk h LEU 115 Cb 1.65 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1bqk h LEU 115 CO 0.14 1.23 0.47 0.44 0.09 0.00 0.00 178.44 180.81 1bqk h ASP 116 N 0.69 1.13 -0.38 -0.43 3.32 -0.94 0.88 116.42 120.69 1bqk h ASP 116 Ca 0.04 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 1bqk h ASP 116 Cb 1.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1bqk h ASP 116 CO 0.10 0.92 -0.31 0.00 -1.72 0.00 0.00 179.24 178.23 1bqk h ALA 117 N 1.26 0.55 -0.58 3.45 0.00 -1.28 -1.81 119.26 120.85 1bqk h ALA 117 Ca 0.31 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1bqk h ALA 117 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bqk h ALA 117 CO -0.05 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.76 1bqk h ALA 118 N 0.78 0.79 -0.66 0.00 0.00 -0.65 -2.02 119.26 117.49 1bqk h ALA 118 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1bqk h ALA 118 Cb 0.90 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1bqk h ALA 118 CO 0.08 0.66 0.20 -0.07 0.00 0.00 0.00 179.25 180.12 1bqk h LEU 119 N 0.95 0.95 -1.05 0.00 3.38 -0.77 -2.83 115.31 115.93 1bqk h LEU 119 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1bqk h LEU 119 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1bqk h LEU 119 CO 0.04 0.89 -0.37 0.00 0.09 0.00 0.00 178.44 179.09 1bqk h ALA 120 N 1.23 1.20 0.00 1.53 0.00 -1.01 -2.17 119.26 120.05 1bqk h ALA 120 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bqk h ALA 120 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bqk h ALA 120 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1bqk h ALA 121 N 1.45 1.00 -0.01 0.00 0.00 -1.12 -1.90 119.26 118.69 1bqk h ALA 121 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bqk h ALA 121 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bqk h ALA 121 CO 0.06 0.00 -0.27 1.28 0.00 0.00 0.00 179.25 180.32 1bqk n LEU 122 N -2.53 1.06 0.00 0.00 4.77 -0.87 -4.84 117.00 114.58 1bqk n LEU 122 Ca 0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1bqk n LEU 122 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1bqk n LEU 122 CO 0.22 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1bqk n GLY 123 N 1.34 1.95 3.95 -0.72 0.00 -0.74 -5.14 105.19 105.83 1bqk n GLY 123 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1bqk n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02