#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zqb s LEU 4 N 0.00 3.51 0.33 -1.84 1.02 -1.26 -5.08 118.68 115.35 2zqb s LEU 4 Ca 0.00 -0.11 -0.29 0.00 0.02 0.00 0.00 54.13 53.75 2zqb s LEU 4 Cb 0.00 -1.91 -0.11 0.00 0.02 0.00 0.00 46.19 44.19 2zqb s LEU 4 CO 0.00 0.06 1.40 -0.54 0.02 0.00 0.00 176.35 177.28 2zqb s LYS 5 N 1.06 4.26 -0.35 1.70 1.02 -1.26 -4.67 119.74 121.49 2zqb s LYS 5 Ca 0.04 2.36 -0.12 0.00 0.02 0.00 0.00 55.97 58.26 2zqb s LYS 5 Cb -0.14 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2zqb s LYS 5 CO 0.03 -0.35 0.21 -1.17 -0.92 0.00 0.00 175.35 173.15 2zqb s LEU 6 N -1.59 4.51 -0.06 3.17 2.96 -1.26 -0.20 118.68 126.22 2zqb s LEU 6 Ca 0.52 -0.65 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2zqb s LEU 6 Cb -0.43 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2zqb s LEU 6 CO 0.54 -0.29 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.43 2zqb s ILE 7 N 1.64 1.86 -0.31 6.68 1.01 0.22 -4.57 121.20 127.74 2zqb s ILE 7 Ca 0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2zqb s ILE 7 Cb -0.18 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2zqb s ILE 7 CO 0.08 0.52 0.18 -1.00 0.00 0.00 0.00 174.94 174.72 2zqb s HIS 8 N -0.06 3.19 0.10 3.97 3.76 0.06 -2.07 115.29 124.25 2zqb s HIS 8 Ca -0.05 -0.29 0.08 0.00 -0.15 0.00 0.00 55.06 54.66 2zqb s HIS 8 Cb -0.13 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 2zqb s HIS 8 CO 0.04 -0.35 -0.15 0.42 -0.85 0.00 0.00 174.74 173.85 2zqb s ILE 9 N 1.68 3.04 -0.15 0.60 1.01 -0.32 -0.44 121.20 126.62 2zqb s ILE 9 Ca 0.06 -1.38 -0.08 0.00 0.00 0.00 0.00 60.65 59.24 2zqb s ILE 9 Cb -0.17 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.96 2zqb s ILE 9 CO 0.08 0.13 0.36 -0.36 0.00 0.00 0.00 174.94 175.15 2zqb s PHE 10 N -1.15 -0.52 -0.00 3.97 0.08 -0.47 -1.17 117.98 118.72 2zqb s PHE 10 Ca 0.19 1.13 -0.07 0.00 0.12 0.00 0.00 56.93 58.30 2zqb s PHE 10 Cb -0.11 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 2zqb s PHE 10 CO 0.11 -0.30 0.14 0.95 -0.10 0.00 0.00 175.22 176.01 2zqb s THR 11 N 1.28 0.08 0.25 0.64 -4.23 -1.03 -2.41 115.64 110.22 2zqb s THR 11 Ca -0.09 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.66 2zqb s THR 11 Cb -0.09 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.34 2zqb s THR 11 CO -0.11 -0.35 0.49 -0.62 -0.54 0.00 0.00 174.62 173.50 2zqb s ASP 12 N -1.25 -0.08 -0.00 3.99 2.15 -0.23 -4.48 116.67 116.77 2zqb s ASP 12 Ca -0.13 -0.93 -0.22 0.00 0.43 0.00 0.00 52.55 51.70 2zqb s ASP 12 Cb -0.07 0.60 0.05 0.00 -0.30 0.00 0.00 42.92 43.19 2zqb s ASP 12 CO 0.01 -1.16 0.50 -0.83 -0.17 0.00 0.00 175.17 173.52 2zqb s GLY 13 N -3.02 -0.38 0.03 2.66 0.00 -1.26 -1.65 107.32 103.70 2zqb s GLY 13 Ca 0.22 0.71 -0.28 0.00 0.00 0.00 0.00 44.72 45.37 2zqb s GLY 13 CO 0.09 0.42 0.71 -0.56 0.00 0.00 0.00 173.10 173.76 2zqb s SER 14 N -1.54 -0.56 -0.28 1.64 0.01 0.46 -4.75 113.70 108.68 2zqb s SER 14 Ca -0.09 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 2zqb s SER 14 Cb -0.02 0.52 0.17 0.00 0.21 0.00 0.00 66.02 66.90 2zqb s SER 14 CO 0.04 -0.72 0.52 0.00 0.41 0.00 0.00 173.24 173.49 2zqb n LEU 16 N 5.41 3.30 0.00 0.00 4.77 -0.24 -4.35 117.00 125.88 2zqb n LEU 16 Ca -0.02 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 2zqb n LEU 16 Cb 0.51 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2zqb n LEU 16 CO 0.04 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2zqb n GLY 17 N 4.54 0.65 3.15 -0.72 0.00 -1.26 -4.08 105.19 107.47 2zqb n GLY 17 Ca 0.24 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.48 2zqb n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2zqb s ASN 18 N -4.00 -0.93 1.13 1.61 2.47 -1.26 -4.57 114.94 109.39 2zqb s ASN 18 Ca 0.00 0.19 -0.16 0.00 0.42 0.00 0.00 52.86 53.31 2zqb s ASN 18 Cb 0.00 1.62 0.25 0.00 -1.45 0.00 0.00 41.25 41.67 2zqb s ASN 18 CO 0.00 -0.17 1.09 -2.16 -3.72 0.00 0.00 177.10 172.14 2zqb s PRO 19 N 2.90 -0.67 0.00 0.43 0.04 -1.26 -5.05 135.00 131.40 2zqb s PRO 19 Ca 0.17 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2zqb s PRO 19 Cb -0.07 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2zqb s PRO 19 CO -0.22 -3.40 0.00 0.41 0.04 0.00 0.00 177.00 173.82 2zqb n GLY 20 N -0.77 -2.78 3.77 0.56 0.00 -0.21 -4.93 105.19 100.82 2zqb n GLY 20 Ca 0.09 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2zqb n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2zqb s PRO 21 N -2.00 4.31 0.21 1.61 0.02 -1.17 -0.52 135.00 137.46 2zqb s PRO 21 Ca 0.00 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.22 2zqb s PRO 21 Cb 0.00 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 2zqb s PRO 21 CO 0.00 -0.22 0.06 0.20 -0.33 0.00 0.00 177.00 176.71 2zqb s GLY 22 N -0.55 1.44 0.32 0.52 0.00 -0.45 -1.08 107.32 107.52 2zqb s GLY 22 Ca 0.50 -1.71 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 2zqb s GLY 22 CO 0.52 -1.53 0.64 -0.32 0.00 0.00 0.00 173.10 172.40 2zqb s GLY 23 N -3.22 0.54 0.11 0.20 0.00 0.12 -0.19 107.32 104.87 2zqb s GLY 23 Ca 0.31 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.22 2zqb s GLY 23 CO 0.09 -0.48 -0.10 -2.52 0.00 0.00 0.00 173.10 170.09 2zqb s TYR 24 N -3.19 1.09 -0.10 1.90 1.13 -0.81 -0.41 117.35 116.96 2zqb s TYR 24 Ca 0.19 -0.72 -0.08 0.00 -1.41 0.00 0.00 57.07 55.05 2zqb s TYR 24 Cb -0.03 -0.59 0.03 0.00 -1.10 0.00 0.00 41.96 40.27 2zqb s TYR 24 CO 0.12 -0.00 0.26 0.20 -2.51 0.00 0.00 175.55 173.61 2zqb s GLY 25 N -2.73 -0.18 -0.00 5.49 0.00 -0.66 -2.20 107.32 107.04 2zqb s GLY 25 Ca 0.09 0.85 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2zqb s GLY 25 CO -0.01 0.88 -0.01 -0.42 0.00 0.00 0.00 173.10 173.55 2zqb s ILE 26 N 0.58 0.07 -0.10 0.90 1.01 -0.23 -1.07 121.20 122.36 2zqb s ILE 26 Ca -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2zqb s ILE 26 Cb -0.05 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.36 2zqb s ILE 26 CO -0.03 0.02 -0.15 -0.69 0.00 0.00 0.00 174.94 174.09 2zqb s VAL 27 N -0.01 1.49 -0.19 2.92 1.01 -1.01 -1.31 120.40 123.30 2zqb s VAL 27 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2zqb s VAL 27 Cb -0.01 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2zqb s VAL 27 CO -0.00 0.44 -0.13 -0.04 0.00 0.00 0.00 175.10 175.36 2zqb s MET 28 N 0.91 2.32 -0.14 2.72 -1.94 -0.44 -1.37 119.30 121.36 2zqb s MET 28 Ca -0.08 -0.82 -0.03 0.00 -1.71 0.00 0.00 55.69 53.05 2zqb s MET 28 Cb -0.15 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 2zqb s MET 28 CO -0.00 -0.35 -0.04 0.15 -0.01 0.00 0.00 175.02 174.77 2zqb s LYS 29 N 1.37 3.53 -0.26 2.03 1.02 0.41 -1.54 119.74 126.31 2zqb s LYS 29 Ca 0.01 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2zqb s LYS 29 Cb -0.15 -2.86 0.10 0.00 -0.52 0.00 0.00 37.83 34.40 2zqb s LYS 29 CO -0.10 0.31 0.18 -0.47 -0.92 0.00 0.00 175.35 174.35 2zqb s TYR 30 N 0.17 0.02 0.00 3.18 5.04 -0.89 -0.76 117.35 124.11 2zqb s TYR 30 Ca -0.02 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2zqb s TYR 30 Cb -0.14 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.49 2zqb s TYR 30 CO 0.03 -0.76 0.00 1.63 -1.34 0.00 0.00 175.55 175.11 2zqb n LYS 31 N 5.28 0.00 0.00 4.97 5.02 -1.26 -2.82 118.16 129.35 2zqb n LYS 31 Ca -0.05 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 2zqb n LYS 31 Cb 0.45 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 36.01 2zqb n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2zqb n GLY 32 N 0.00 -0.94 3.83 0.72 0.00 -1.26 -4.87 105.19 102.68 2zqb n GLY 32 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2zqb n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2zqb s HIS 33 N -2.49 3.74 -0.09 1.61 3.76 -1.13 -5.09 115.29 115.60 2zqb s HIS 33 Ca 0.22 1.02 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 2zqb s HIS 33 Cb 0.14 -2.31 0.01 0.00 1.11 0.00 0.00 32.58 31.53 2zqb s HIS 33 CO 0.31 0.64 -0.15 0.99 -0.85 0.00 0.00 174.74 175.68 2zqb s THR 34 N -1.06 1.37 0.30 1.30 2.01 -1.26 -2.09 115.64 116.21 2zqb s THR 34 Ca 0.24 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2zqb s THR 34 Cb -0.17 -1.25 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 2zqb s THR 34 CO 0.14 0.41 0.08 -1.59 -0.69 0.00 0.00 174.62 172.97 2zqb s LYS 35 N 0.76 1.55 -0.00 4.92 -2.85 -0.59 -5.00 119.74 118.52 2zqb s LYS 35 Ca -0.12 -1.85 -0.00 0.00 -1.00 0.00 0.00 55.97 52.99 2zqb s LYS 35 Cb -0.16 -0.55 0.00 0.00 -2.06 0.00 0.00 37.83 35.06 2zqb s LYS 35 CO 0.02 -0.26 0.01 -1.21 0.10 0.00 0.00 175.35 174.01 2zqb s GLU 36 N -3.95 -0.00 0.03 1.78 2.02 -1.26 -1.32 118.70 115.99 2zqb s GLU 36 Ca 0.37 0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.39 2zqb s GLU 36 Cb 0.08 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.26 2zqb s GLU 36 CO 0.15 -0.02 -0.05 -1.64 0.02 0.00 0.00 175.26 173.71 2zqb s MET 37 N 0.13 0.40 0.31 1.61 -1.94 -0.43 -4.99 119.30 114.38 2zqb s MET 37 Ca -0.01 -0.57 -0.17 0.00 -1.71 0.00 0.00 55.69 53.23 2zqb s MET 37 Cb -0.02 -0.15 0.02 0.00 2.01 0.00 0.00 34.83 36.70 2zqb s MET 37 CO -0.00 0.02 0.68 -1.54 -0.01 0.00 0.00 175.02 174.17 2zqb s SER 38 N -1.22 -0.07 0.05 3.03 1.04 -1.26 -1.07 113.70 114.20 2zqb s SER 38 Ca -0.10 -0.88 -0.27 0.00 0.48 0.00 0.00 55.95 55.18 2zqb s SER 38 Cb -0.08 0.74 0.08 0.00 0.10 0.00 0.00 66.02 66.86 2zqb s SER 38 CO -0.00 -1.41 0.72 -0.83 0.98 0.00 0.00 173.24 172.70 2zqb s GLY 39 N -3.00 -0.55 0.03 7.32 0.00 -0.94 -4.98 107.32 105.20 2zqb s GLY 39 Ca 0.16 0.92 0.08 0.00 0.00 0.00 0.00 44.72 45.88 2zqb s GLY 39 CO 0.10 0.44 -0.24 -0.32 0.00 0.00 0.00 173.10 173.08 2zqb s GLY 40 N -2.22 1.23 -0.01 0.20 0.00 -1.26 -1.92 107.32 103.35 2zqb s GLY 40 Ca -0.01 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2zqb s GLY 40 CO -0.06 -1.01 -0.06 -1.36 0.00 0.00 0.00 173.10 170.61 2zqb s PHE 41 N -0.73 0.54 0.13 1.90 0.08 0.73 -4.50 117.98 116.12 2zqb s PHE 41 Ca 0.10 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.94 2zqb s PHE 41 Cb -0.09 -0.35 -0.08 0.00 -0.57 0.00 0.00 43.02 41.92 2zqb s PHE 41 CO 0.01 -0.02 1.37 0.66 -0.10 0.00 0.00 175.22 177.15 2zqb h SER 42 N 6.06 0.87 -3.08 1.36 4.64 -1.38 -1.19 113.55 120.83 2zqb h SER 42 Ca -0.29 -0.53 -0.25 0.00 -0.47 0.00 0.00 61.79 60.26 2zqb h SER 42 Cb 1.19 -0.25 -0.33 0.00 -0.31 0.00 0.00 62.40 62.69 2zqb h SER 42 CO 0.50 1.31 -0.58 -0.22 -0.87 0.00 0.00 176.83 176.97 2zqb s LEU 43 N -8.44 -0.01 0.00 5.97 2.96 -1.26 -3.02 118.68 114.88 2zqb s LEU 43 Ca -0.10 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2zqb s LEU 43 Cb 0.10 0.49 0.00 0.00 0.50 0.00 0.00 46.19 47.28 2zqb s LEU 43 CO 0.89 -0.22 0.00 1.07 -1.32 0.00 0.00 176.35 176.76 2zqb n THR 44 N 5.07 0.00 -4.28 3.68 5.66 0.33 -4.27 114.28 120.47 2zqb n THR 44 Ca -0.10 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.74 2zqb n THR 44 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 2zqb n THR 44 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2zqb s THR 45 N -2.74 1.29 0.16 1.09 -4.23 -1.26 -1.05 115.64 108.91 2zqb s THR 45 Ca 0.00 -2.09 -0.26 0.00 -1.18 0.00 0.00 61.69 58.16 2zqb s THR 45 Cb 0.00 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.92 2zqb s THR 45 CO 0.00 -0.67 1.57 0.78 -0.54 0.00 0.00 174.62 175.76 2zqb h ASN 46 N 2.69 -1.43 -0.72 3.99 4.21 -1.89 -0.66 115.58 121.78 2zqb h ASN 46 Ca -0.37 0.23 0.12 0.00 1.21 0.00 0.00 56.30 57.49 2zqb h ASN 46 Cb 1.20 0.64 -0.08 0.00 -1.12 0.00 0.00 38.32 38.96 2zqb h ASN 46 CO 0.63 -0.35 0.30 0.78 -1.29 0.00 0.00 177.43 177.51 2zqb h ASN 47 N -0.26 0.31 -0.49 5.81 -0.26 -1.97 -0.50 115.58 118.22 2zqb h ASN 47 Ca 0.17 0.09 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 2zqb h ASN 47 Cb 0.57 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.86 2zqb h ASN 47 CO -0.64 0.15 0.21 0.03 -1.06 0.00 0.00 177.43 176.12 2zqb h ARG 48 N 0.47 0.72 -0.38 0.81 3.08 -1.58 -2.15 114.38 115.36 2zqb h ARG 48 Ca 0.38 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 2zqb h ARG 48 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2zqb h ARG 48 CO -0.35 0.63 -0.26 0.52 -1.07 0.00 0.00 179.97 179.44 2zqb h MET 49 N 0.65 0.78 0.00 0.04 2.86 -0.92 0.13 114.93 118.46 2zqb h MET 49 Ca 0.16 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2zqb h MET 49 Cb 0.17 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2zqb h MET 49 CO -0.02 0.95 -0.31 0.93 1.06 0.00 0.00 176.91 179.52 2zqb h GLU 50 N 0.67 0.00 0.08 1.72 5.08 -0.94 -2.08 114.58 119.11 2zqb h GLU 50 Ca 0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 2zqb h GLU 50 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2zqb h GLU 50 CO 0.06 0.31 -1.78 1.25 -1.00 0.00 0.00 179.01 177.85 2zqb h LEU 51 N 0.00 0.27 -0.39 1.33 6.46 -0.58 -3.37 115.31 119.03 2zqb h LEU 51 Ca -0.00 -0.54 -0.10 0.00 -0.12 0.00 0.00 57.88 57.12 2zqb h LEU 51 Cb 0.61 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 2zqb h LEU 51 CO 0.04 1.47 -0.13 0.25 -0.62 0.00 0.00 178.44 179.45 2zqb h LEU 52 N 0.05 0.79 -0.11 2.25 5.85 -0.63 -3.15 115.31 120.36 2zqb h LEU 52 Ca -0.33 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.02 2zqb h LEU 52 Cb 2.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 2zqb h LEU 52 CO 0.10 0.99 -0.06 0.00 -0.34 0.00 0.00 178.44 179.13 2zqb n ALA 53 N -2.46 -0.07 0.21 1.25 0.00 -0.80 -1.11 120.51 117.53 2zqb n ALA 53 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.56 2zqb n ALA 53 Cb 0.38 0.26 0.44 0.00 0.00 0.00 0.00 19.45 20.53 2zqb n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2zqb h PRO 54 N 0.00 0.00 -0.33 0.00 0.13 -1.77 -1.92 132.00 128.12 2zqb h PRO 54 Ca 0.02 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 2zqb h PRO 54 Cb 0.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.14 2zqb h PRO 54 CO -0.10 0.29 0.10 0.82 -0.23 0.00 0.00 178.00 178.88 2zqb h ILE 55 N 0.00 0.89 -0.24 -3.56 2.04 -1.15 -1.80 117.51 113.68 2zqb h ILE 55 Ca -0.00 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 2zqb h ILE 55 Cb 0.52 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2zqb h ILE 55 CO 0.04 0.04 -0.42 0.58 0.00 0.00 0.00 178.15 178.39 2zqb h VAL 56 N 0.24 1.30 -0.07 1.67 2.07 -0.71 -0.71 116.25 120.03 2zqb h VAL 56 Ca 0.15 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2zqb h VAL 56 Cb 0.13 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2zqb h VAL 56 CO -0.16 0.51 0.03 0.00 0.02 0.00 0.00 177.57 177.96 2zqb h ALA 57 N 1.05 0.10 -0.46 1.67 0.00 -1.31 -1.85 119.26 118.46 2zqb h ALA 57 Ca 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2zqb h ALA 57 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2zqb h ALA 57 CO 0.08 -0.31 -0.20 -0.07 0.00 0.00 0.00 179.25 178.75 2zqb h LEU 58 N -0.05 0.94 -1.74 0.00 3.38 -1.27 -2.64 115.31 113.93 2zqb h LEU 58 Ca 0.02 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2zqb h LEU 58 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2zqb h LEU 58 CO -0.00 1.11 -0.17 -0.33 0.09 0.00 0.00 178.44 179.14 2zqb h GLU 59 N 0.80 0.00 0.00 1.13 5.08 -1.14 -1.88 114.58 118.58 2zqb h GLU 59 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2zqb h GLU 59 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2zqb h GLU 59 CO 0.06 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2zqb n ALA 60 N -2.35 1.74 -1.80 3.43 0.00 -0.70 -4.83 120.51 116.00 2zqb n ALA 60 Ca -0.02 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 2zqb n ALA 60 Cb 0.27 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 2zqb n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zqb s LEU 61 N -3.54 3.82 -0.17 0.00 1.43 -0.71 -4.97 118.68 114.54 2zqb s LEU 61 Ca 0.07 1.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 2zqb s LEU 61 Cb 0.10 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.62 2zqb s LEU 61 CO 0.34 -0.60 -0.05 0.29 0.23 0.00 0.00 176.35 176.56 2zqb n LYS 62 N -1.02 1.05 -4.38 1.70 5.02 -1.26 -4.98 118.16 114.29 2zqb n LYS 62 Ca 0.08 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.16 2zqb n LYS 62 Cb 0.53 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2zqb n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2zqb s GLU 63 N -2.38 2.05 0.57 1.97 4.04 -1.26 -5.15 118.70 118.55 2zqb s GLU 63 Ca -0.16 -1.88 -0.21 0.00 0.04 0.00 0.00 54.97 52.77 2zqb s GLU 63 Cb 0.06 -1.85 -0.04 0.00 0.02 0.00 0.00 34.13 32.32 2zqb s GLU 63 CO 0.54 0.04 1.33 -2.30 -1.84 0.00 0.00 175.26 173.03 2zqb n PRO 64 N -1.00 1.53 -3.72 -4.83 -0.02 -1.26 -5.02 135.00 120.67 2zqb n PRO 64 Ca -0.04 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2zqb n PRO 64 Cb 0.64 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2zqb n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2zqb s LYS 66 N -3.44 4.05 -0.08 0.00 2.20 0.72 -1.83 119.74 121.37 2zqb s LYS 66 Ca 0.01 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2zqb s LYS 66 Cb 0.02 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2zqb s LYS 66 CO -0.09 -0.08 -0.13 0.42 -0.36 0.00 0.00 175.35 175.11 2zqb s ILE 67 N 1.46 1.23 -0.23 5.43 1.01 -0.75 0.71 121.20 130.05 2zqb s ILE 67 Ca 0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2zqb s ILE 67 Cb -0.15 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2zqb s ILE 67 CO 0.08 0.38 0.00 -0.63 0.00 0.00 0.00 174.94 174.77 2zqb s ILE 68 N 0.80 3.76 -0.21 2.92 1.01 -0.88 -0.53 121.20 128.08 2zqb s ILE 68 Ca -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2zqb s ILE 68 Cb -0.15 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.65 2zqb s ILE 68 CO 0.02 0.39 -0.01 -0.22 0.00 0.00 0.00 174.94 175.12 2zqb s LEU 69 N 1.49 1.83 -0.11 2.97 0.20 -0.68 -1.18 118.68 123.21 2zqb s LEU 69 Ca 0.06 -0.96 -0.00 0.00 0.69 0.00 0.00 54.13 53.91 2zqb s LEU 69 Cb -0.15 -0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2zqb s LEU 69 CO -0.00 -0.26 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.81 2zqb s THR 70 N 1.63 3.46 -0.13 3.68 2.01 -0.31 -1.75 115.64 124.23 2zqb s THR 70 Ca -0.03 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.29 2zqb s THR 70 Cb -0.18 -2.45 0.04 0.00 0.01 0.00 0.00 72.50 69.92 2zqb s THR 70 CO -0.07 0.55 0.38 -0.55 -0.69 0.00 0.00 174.62 174.24 2zqb s SER 71 N -0.14 -0.38 -0.05 3.53 0.15 -0.98 -2.47 113.70 113.36 2zqb s SER 71 Ca 0.01 0.68 0.16 0.00 0.70 0.00 0.00 55.95 57.50 2zqb s SER 71 Cb -0.13 0.72 0.55 0.00 -1.71 0.00 0.00 66.02 65.45 2zqb s SER 71 CO 0.03 -0.19 1.44 -0.90 1.20 0.00 0.00 173.24 174.83 2zqb n ASP 72 N 2.61 3.58 -4.63 5.45 3.85 -1.26 -0.86 116.55 125.29 2zqb n ASP 72 Ca -0.14 -2.21 -0.43 0.00 -0.71 0.00 0.00 54.79 51.30 2zqb n ASP 72 Cb 0.57 -0.46 -0.02 0.00 -1.35 0.00 0.00 41.12 39.85 2zqb n ASP 72 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 2zqb s SER 73 N -0.89 6.89 0.24 -1.12 0.15 -1.26 -4.77 113.70 112.94 2zqb s SER 73 Ca 0.40 0.98 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 2zqb s SER 73 Cb 0.24 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.29 2zqb s SER 73 CO 0.22 -0.89 1.75 1.56 1.20 0.00 0.00 173.24 177.09 2zqb h GLN 74 N 8.17 0.90 -0.81 5.44 1.08 -1.92 -1.90 115.11 126.07 2zqb h GLN 74 Ca -0.21 -0.23 0.07 0.00 -1.45 0.00 0.00 58.65 56.83 2zqb h GLN 74 Cb 1.06 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.33 2zqb h GLN 74 CO 1.03 0.86 0.53 -0.92 -0.95 0.00 0.00 178.83 179.37 2zqb h TYR 75 N 0.84 0.86 0.20 2.96 3.20 -1.98 0.25 116.97 123.31 2zqb h TYR 75 Ca 0.17 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.72 2zqb h TYR 75 Cb 0.43 -0.28 0.02 0.00 1.54 0.00 0.00 36.73 38.43 2zqb h TYR 75 CO 0.03 0.44 -1.64 0.28 -1.64 0.00 0.00 178.16 175.63 2zqb h VAL 76 N 0.84 1.05 -0.99 1.81 2.07 -1.86 -2.98 116.25 116.19 2zqb h VAL 76 Ca 0.35 -2.56 0.19 0.00 0.82 0.00 0.00 66.70 65.51 2zqb h VAL 76 Cb 0.30 2.85 -0.10 0.00 -1.52 0.00 0.00 31.29 32.82 2zqb h VAL 76 CO -0.13 0.83 0.61 -0.09 0.02 0.00 0.00 177.57 178.82 2zqb h ARG 77 N 0.08 0.68 0.00 1.57 2.43 -1.24 0.12 114.38 118.02 2zqb h ARG 77 Ca -0.31 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 2zqb h ARG 77 Cb 2.09 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 2zqb h ARG 77 CO 0.20 0.45 -0.57 0.37 -1.51 0.00 0.00 179.97 178.91 2zqb h GLN 78 N 0.70 0.00 0.08 0.20 5.75 -0.41 -3.16 115.11 118.28 2zqb h GLN 78 Ca 0.56 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.71 2zqb h GLN 78 Cb 0.95 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 2zqb h GLN 78 CO -0.33 0.57 -1.91 0.41 -2.65 0.00 0.00 178.83 174.91 2zqb n GLY 79 N 0.48 -0.70 0.33 2.39 0.00 -1.04 -2.08 105.19 104.57 2zqb n GLY 79 Ca -0.00 -0.20 0.25 0.00 0.00 0.00 0.00 46.02 46.06 2zqb n GLY 79 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2zqb h ILE 80 N 0.05 0.04 0.00 -0.61 1.08 -0.86 -1.95 117.51 115.26 2zqb h ILE 80 Ca -0.38 -0.01 -0.28 0.00 -0.39 0.00 0.00 64.86 63.80 2zqb h ILE 80 Cb 2.03 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.73 2zqb h ILE 80 CO 0.08 0.01 -2.05 0.23 -0.69 0.00 0.00 178.15 175.73 2zqb n MET 81 N -5.33 1.23 0.00 2.37 2.81 -1.19 -4.91 117.12 112.11 2zqb n MET 81 Ca 0.32 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 2zqb n MET 81 Cb 1.06 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.18 2zqb n MET 81 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2zqb n THR 82 N -2.71 0.00 0.00 2.03 5.66 -0.88 -4.92 114.28 113.46 2zqb n THR 82 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2zqb n THR 82 Cb 0.95 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 2zqb n THR 82 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 2zqb n TRP 83 N -1.39 0.00 0.26 1.09 5.03 -1.00 -0.93 117.44 120.49 2zqb n TRP 83 Ca 0.00 0.00 0.18 0.00 3.03 0.00 0.00 57.50 60.71 2zqb n TRP 83 Cb 0.00 0.00 0.91 0.00 -1.03 0.00 0.00 31.31 31.19 2zqb n TRP 83 CO 0.00 0.00 0.00 -0.84 -0.03 0.00 0.00 177.69 176.82 2zqb h ILE 84 N 0.00 0.36 0.19 -0.99 -0.00 -1.62 0.74 117.51 116.18 2zqb h ILE 84 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 2zqb h ILE 84 Cb 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 36.82 37.70 2zqb h ILE 84 CO 0.00 0.00 -0.09 -0.74 -0.00 0.00 0.00 178.15 177.32 2zqb h HIS 85 N 0.00 -0.23 -0.68 0.16 2.76 -1.24 -2.77 115.15 113.14 2zqb h HIS 85 Ca 0.05 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.35 2zqb h HIS 85 Cb 0.34 0.08 -0.12 0.00 1.55 0.00 0.00 27.41 29.25 2zqb h HIS 85 CO 0.00 0.17 -0.10 0.78 -1.30 0.00 0.00 177.93 177.48 2zqb h GLY 86 N -0.89 0.60 1.57 5.26 0.00 -0.60 -2.48 103.07 106.53 2zqb h GLY 86 Ca -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2zqb h GLY 86 CO 0.04 -0.25 -0.02 1.49 0.00 0.00 0.00 176.54 177.80 2zqb h TRP 87 N 0.04 0.56 0.00 5.60 6.55 -1.06 -2.93 115.95 124.72 2zqb h TRP 87 Ca 0.34 -0.06 -0.12 0.00 0.95 0.00 0.00 58.89 60.00 2zqb h TRP 87 Cb 0.55 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.67 2zqb h TRP 87 CO -0.48 0.56 -0.59 1.57 -1.05 0.00 0.00 178.44 178.45 2zqb h LYS 88 N 0.51 0.00 -1.00 0.49 2.10 -1.15 0.21 116.57 117.74 2zqb h LYS 88 Ca 0.11 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.88 2zqb h LYS 88 Cb 0.36 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.61 2zqb h LYS 88 CO 0.01 0.59 0.63 0.87 -2.00 0.00 0.00 179.45 179.55 2zqb h LYS 89 N 0.00 0.95 -0.96 0.07 1.79 -1.29 -2.14 116.57 114.98 2zqb h LYS 89 Ca -0.01 -0.06 -0.25 0.00 -2.18 0.00 0.00 60.65 58.16 2zqb h LYS 89 Cb 1.34 -0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 31.63 2zqb h LYS 89 CO 0.08 0.63 0.31 0.09 -1.08 0.00 0.00 179.45 179.48 2zqb n ASN 90 N -4.63 3.48 -4.33 0.86 3.02 -1.18 -4.94 115.26 107.53 2zqb n ASN 90 Ca 0.19 -2.85 -0.32 0.00 -0.03 0.00 0.00 54.58 51.57 2zqb n ASN 90 Cb 0.37 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 2zqb n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zqb n GLY 91 N -0.30 -0.16 2.30 7.41 0.00 -0.81 -2.37 105.19 111.26 2zqb n GLY 91 Ca 0.31 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2zqb n GLY 91 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2zqb n TRP 92 N -4.46 -0.09 -4.49 1.61 7.02 0.06 -5.01 117.44 112.08 2zqb n TRP 92 Ca -0.26 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 55.98 2zqb n TRP 92 Cb 0.65 -2.15 -0.10 0.00 -2.42 0.00 0.00 31.31 27.29 2zqb n TRP 92 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2zqb s MET 93 N -3.20 1.69 0.00 -0.99 -1.94 -1.00 -3.03 119.30 110.83 2zqb s MET 93 Ca 0.00 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 2zqb s MET 93 Cb 0.00 -1.47 0.00 0.00 2.01 0.00 0.00 34.83 35.37 2zqb s MET 93 CO 0.00 0.11 0.00 0.25 -0.01 0.00 0.00 175.02 175.37 2zqb n THR 94 N -0.69 0.00 0.27 2.05 -2.24 -0.11 -4.77 114.28 108.79 2zqb n THR 94 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 2zqb n THR 94 Cb 0.63 -1.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 2zqb n THR 94 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2zqb h SER 95 N -0.47 -0.61 -2.67 3.42 0.02 -1.95 -3.38 113.55 107.90 2zqb h SER 95 Ca 0.00 -0.05 -0.55 0.00 -0.84 0.00 0.00 61.79 60.35 2zqb h SER 95 Cb 0.00 0.16 0.07 0.00 0.14 0.00 0.00 62.40 62.77 2zqb h SER 95 CO 0.00 -0.23 0.86 0.59 -1.14 0.00 0.00 176.83 176.91 2zqb n ASN 96 N -5.28 3.50 -2.17 3.07 3.02 -1.26 -4.78 115.26 111.36 2zqb n ASN 96 Ca -0.11 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.44 2zqb n ASN 96 Cb 0.32 -1.51 -0.13 0.00 -0.61 0.00 0.00 39.78 37.85 2zqb n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zqb n GLY 97 N 3.14 2.64 3.85 7.41 0.00 -1.26 -4.75 105.19 116.23 2zqb n GLY 97 Ca 0.14 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 2zqb n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zqb s THR 98 N 1.50 4.73 0.40 2.61 -4.23 -1.26 -4.79 115.64 114.61 2zqb s THR 98 Ca 0.53 0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 61.67 2zqb s THR 98 Cb 0.25 -3.64 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 2zqb s THR 98 CO -0.00 -0.11 1.04 -2.84 -0.54 0.00 0.00 174.62 172.17 2zqb s PRO 99 N -2.82 4.15 0.19 3.99 0.02 -1.26 -0.94 135.00 138.33 2zqb s PRO 99 Ca 0.51 1.48 -0.33 0.00 0.02 0.00 0.00 61.00 62.69 2zqb s PRO 99 Cb -0.11 -2.51 -0.14 0.00 0.02 0.00 0.00 34.50 31.77 2zqb s PRO 99 CO 0.19 -0.15 1.51 0.28 -0.33 0.00 0.00 177.00 178.50 2zqb n VAL 100 N -0.14 0.39 -2.13 3.83 0.31 -1.17 -4.73 118.33 114.69 2zqb n VAL 100 Ca 0.05 -0.10 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 2zqb n VAL 100 Cb 0.50 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2zqb n VAL 100 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2zqb s LYS 101 N 0.36 4.33 -1.34 5.55 2.20 -1.26 -1.92 119.74 127.66 2zqb s LYS 101 Ca 0.74 2.15 -0.04 0.00 -0.36 0.00 0.00 55.97 58.46 2zqb s LYS 101 Cb -0.66 -3.17 0.02 0.00 -1.51 0.00 0.00 37.83 32.51 2zqb s LYS 101 CO 0.43 -0.36 0.31 0.09 -0.36 0.00 0.00 175.35 175.46 2zqb n ASN 102 N 2.84 -4.66 -0.24 1.43 3.02 -1.26 -4.88 115.26 111.51 2zqb n ASN 102 Ca 0.08 -0.14 0.26 0.00 -0.03 0.00 0.00 54.58 54.75 2zqb n ASN 102 Cb 0.42 -3.86 0.64 0.00 -0.61 0.00 0.00 39.78 36.37 2zqb n ASN 102 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2zqb h VAL 103 N -0.66 0.56 -0.18 2.41 3.04 -1.77 -1.53 116.25 118.13 2zqb h VAL 103 Ca -0.42 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 2zqb h VAL 103 Cb 1.30 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2zqb h VAL 103 CO 0.49 0.03 0.01 -2.24 -1.01 0.00 0.00 177.57 174.85 2zqb h ASP 104 N 0.17 0.30 -0.04 3.17 -0.00 -1.90 -0.42 116.42 117.71 2zqb h ASP 104 Ca 0.48 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.03 57.20 2zqb h ASP 104 Cb 1.60 -0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 40.85 2zqb h ASP 104 CO -0.10 0.52 -0.04 -0.07 -0.00 0.00 0.00 179.24 179.56 2zqb h LEU 105 N 0.07 0.10 -1.02 0.15 3.38 -1.84 -2.91 115.31 113.25 2zqb h LEU 105 Ca 0.05 -0.48 0.23 0.00 0.09 0.00 0.00 57.88 57.77 2zqb h LEU 105 Cb 0.36 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2zqb h LEU 105 CO 0.01 0.56 0.60 -0.50 0.09 0.00 0.00 178.44 179.20 2zqb h TRP 106 N -0.36 1.02 0.00 1.13 -0.00 -1.30 0.86 115.95 117.30 2zqb h TRP 106 Ca 0.01 0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.81 2zqb h TRP 106 Cb 0.53 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 2zqb h TRP 106 CO 0.09 0.12 -0.59 0.87 -0.00 0.00 0.00 178.44 178.93 2zqb h LYS 107 N 0.63 0.00 -0.14 0.49 1.57 -1.08 -2.72 116.57 115.32 2zqb h LYS 107 Ca 0.62 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.21 2zqb h LYS 107 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2zqb h LYS 107 CO -0.44 0.59 -0.69 0.00 -0.57 0.00 0.00 179.45 178.35 2zqb h ARG 108 N 0.00 0.59 -0.01 3.15 3.08 -0.70 -2.55 114.38 117.93 2zqb h ARG 108 Ca -0.01 -0.45 -0.20 0.00 0.07 0.00 0.00 59.98 59.40 2zqb h ARG 108 Cb 1.10 0.08 0.02 0.00 0.08 0.00 0.00 29.97 31.25 2zqb h ARG 108 CO 0.08 1.07 -0.79 1.25 -1.07 0.00 0.00 179.97 180.51 2zqb h LEU 109 N 0.42 0.72 -0.63 3.04 5.85 -0.97 -2.53 115.31 121.21 2zqb h LEU 109 Ca -0.02 -0.74 0.04 0.00 0.84 0.00 0.00 57.88 58.00 2zqb h LEU 109 Cb 1.27 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2zqb h LEU 109 CO 0.13 1.36 0.36 -0.78 -0.34 0.00 0.00 178.44 179.17 2zqb h ASP 110 N 0.15 0.57 -0.39 1.25 -0.00 -1.58 0.36 116.42 116.78 2zqb h ASP 110 Ca -0.09 0.02 -0.06 0.00 -0.00 0.00 0.00 57.03 56.89 2zqb h ASP 110 Cb 1.47 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 40.68 2zqb h ASP 110 CO 0.16 0.39 0.01 0.50 -0.00 0.00 0.00 179.24 180.29 2zqb h LYS 111 N 0.70 0.67 -0.47 0.28 3.64 -1.43 -3.06 116.57 116.90 2zqb h LYS 111 Ca 0.27 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 2zqb h LYS 111 Cb 0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2zqb h LYS 111 CO -0.14 0.77 -0.13 0.00 -2.27 0.00 0.00 179.45 177.68 2zqb h ALA 112 N 0.88 0.65 -0.84 5.00 0.00 -1.32 -3.18 119.26 120.45 2zqb h ALA 112 Ca 0.11 -0.35 0.17 0.00 0.00 0.00 0.00 54.91 54.84 2zqb h ALA 112 Cb 0.45 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2zqb h ALA 112 CO 0.02 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.22 2zqb h ALA 113 N 0.88 1.27 0.00 0.00 0.00 -0.18 -2.52 119.26 118.71 2zqb h ALA 113 Ca 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2zqb h ALA 113 Cb 0.69 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2zqb h ALA 113 CO 0.05 -0.22 -0.19 1.96 0.00 0.00 0.00 179.25 180.85 2zqb h GLN 114 N 0.48 0.00 0.00 0.00 1.08 -1.52 -1.90 115.11 113.26 2zqb h GLN 114 Ca 0.49 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.63 2zqb h GLN 114 Cb 0.80 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2zqb h GLN 114 CO -0.44 0.19 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.30 2zqb h LEU 115 N 0.00 0.00 -9.29 1.46 4.07 -1.56 -3.46 115.31 106.53 2zqb h LEU 115 Ca -0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 2zqb h LEU 115 Cb 0.43 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.04 2zqb h LEU 115 CO 0.02 0.26 -0.73 -1.00 -1.08 0.00 0.00 178.44 175.91 2zqb s HIS 116 N -4.36 2.34 -0.24 1.13 3.76 -0.71 -4.54 115.29 112.65 2zqb s HIS 116 Ca -0.03 -0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 2zqb s HIS 116 Cb 0.15 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 2zqb s HIS 116 CO 0.69 0.67 0.38 -1.14 -0.85 0.00 0.00 174.74 174.49 2zqb s GLN 117 N -3.55 4.08 -0.11 1.40 0.74 -0.76 -4.95 119.66 116.51 2zqb s GLN 117 Ca 0.31 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.82 2zqb s GLN 117 Cb -0.03 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.50 2zqb s GLN 117 CO 0.16 -0.17 -0.12 0.42 -0.55 0.00 0.00 175.29 175.03 2zqb s ILE 118 N 1.73 1.28 -0.45 -2.34 1.01 -1.26 -1.81 121.20 119.37 2zqb s ILE 118 Ca 0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 2zqb s ILE 118 Cb -0.15 -1.22 0.04 0.00 0.01 0.00 0.00 42.46 41.14 2zqb s ILE 118 CO 0.09 0.40 0.42 -0.62 0.00 0.00 0.00 174.94 175.24 2zqb s ASP 119 N 1.34 6.17 0.17 3.58 -1.08 0.31 -5.00 116.67 122.16 2zqb s ASP 119 Ca -0.01 -0.94 -0.18 0.00 -0.52 0.00 0.00 52.55 50.90 2zqb s ASP 119 Cb -0.14 -2.21 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 2zqb s ASP 119 CO -0.06 -0.62 0.65 0.26 0.52 0.00 0.00 175.17 175.92 2zqb s TRP 120 N 1.97 3.68 -0.14 -5.34 0.52 -1.26 -1.68 118.94 116.69 2zqb s TRP 120 Ca 0.09 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.50 2zqb s TRP 120 Cb -0.20 -2.53 0.02 0.00 -1.15 0.00 0.00 33.47 29.61 2zqb s TRP 120 CO 0.11 0.42 -0.17 1.03 0.02 0.00 0.00 176.95 178.35 2zqb s ARG 121 N -1.78 2.51 -0.04 4.98 1.81 -0.72 -4.91 118.95 120.81 2zqb s ARG 121 Ca 0.39 -0.66 -0.03 0.00 -1.72 0.00 0.00 55.73 53.71 2zqb s ARG 121 Cb -0.17 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 2zqb s ARG 121 CO 0.20 -0.13 0.13 -1.58 -0.68 0.00 0.00 175.30 173.25 2zqb s TRP 122 N 1.16 3.46 0.09 -0.53 0.52 -1.26 -2.32 118.94 120.07 2zqb s TRP 122 Ca -0.01 0.35 0.06 0.00 0.02 0.00 0.00 56.10 56.52 2zqb s TRP 122 Cb -0.14 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 2zqb s TRP 122 CO -0.06 0.63 -0.16 0.54 0.02 0.00 0.00 176.95 177.92 2zqb s VAL 123 N -1.19 1.35 0.24 4.03 0.11 -0.04 -4.93 120.40 119.97 2zqb s VAL 123 Ca 0.22 -1.49 -0.05 0.00 -2.93 0.00 0.00 61.98 57.73 2zqb s VAL 123 Cb -0.12 -1.33 0.21 0.00 -1.53 0.00 0.00 36.38 33.61 2zqb s VAL 123 CO 0.13 -0.23 1.85 0.07 -3.33 0.00 0.00 175.10 173.59 2zqb h LYS 124 N 4.02 0.94 -2.29 1.54 2.10 -1.89 -3.37 116.57 117.63 2zqb h LYS 124 Ca -0.42 -0.06 0.21 0.00 -2.00 0.00 0.00 60.65 58.39 2zqb h LYS 124 Cb 1.19 -0.21 -0.06 0.00 -0.90 0.00 0.00 32.23 32.25 2zqb h LYS 124 CO 0.43 0.62 0.64 0.20 -2.00 0.00 0.00 179.45 179.34 2zqb s GLY 125 N -3.17 -0.06 0.00 0.07 0.00 -1.26 -4.98 107.32 97.91 2zqb s GLY 125 Ca -0.13 -0.05 0.26 0.00 0.00 0.00 0.00 44.72 44.80 2zqb s GLY 125 CO 0.79 2.05 1.84 -2.39 0.00 0.00 0.00 173.10 175.38 2zqb n HIS 126 N -0.65 0.00 -3.72 1.90 1.44 -1.26 -4.80 115.22 108.12 2zqb n HIS 126 Ca -0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.32 2zqb n HIS 126 Cb 0.60 -0.44 -0.08 0.00 0.12 0.00 0.00 29.99 30.18 2zqb n HIS 126 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2zqb s ALA 127 N -2.89 3.68 -0.40 1.59 0.00 -1.26 -2.16 121.76 120.33 2zqb s ALA 127 Ca 0.16 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 2zqb s ALA 127 Cb 0.17 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 21.12 2zqb s ALA 127 CO 0.45 0.13 0.45 0.20 0.00 0.00 0.00 175.76 176.99 2zqb s GLY 128 N 0.42 1.87 -0.35 0.00 0.00 -1.26 -5.01 107.32 102.99 2zqb s GLY 128 Ca 0.08 -1.37 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 2zqb s GLY 128 CO -0.01 1.17 0.15 0.30 0.00 0.00 0.00 173.10 174.71 2zqb s HIS 129 N 2.20 1.59 0.21 1.90 3.76 -0.92 -5.04 115.29 118.99 2zqb s HIS 129 Ca 0.14 -1.84 -0.15 0.00 -0.15 0.00 0.00 55.06 53.05 2zqb s HIS 129 Cb -0.16 -1.62 0.23 0.00 1.11 0.00 0.00 32.58 32.13 2zqb s HIS 129 CO 0.14 -0.85 1.60 0.00 -0.85 0.00 0.00 174.74 174.78 2zqb h ALA 130 N 7.66 0.29 -0.09 -1.40 0.00 -1.99 -0.89 119.26 122.83 2zqb h ALA 130 Ca -0.09 0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2zqb h ALA 130 Cb 0.99 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2zqb h ALA 130 CO 0.45 -0.51 -0.51 0.93 0.00 0.00 0.00 179.25 179.61 2zqb h GLU 131 N -0.06 0.24 -0.59 0.00 3.07 -1.96 -2.40 114.58 112.89 2zqb h GLU 131 Ca 0.30 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2zqb h GLU 131 Cb 0.53 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2zqb h GLU 131 CO -0.72 0.70 -0.04 -0.91 -1.40 0.00 0.00 179.01 176.64 2zqb h ASN 132 N 0.19 1.05 -0.32 1.42 4.21 -1.52 -1.58 115.58 119.04 2zqb h ASN 132 Ca 0.01 -0.32 0.06 0.00 1.21 0.00 0.00 56.30 57.26 2zqb h ASN 132 Cb 0.97 -0.28 -0.06 0.00 -1.12 0.00 0.00 38.32 37.82 2zqb h ASN 132 CO 0.08 1.12 -0.08 -0.33 -1.29 0.00 0.00 177.43 176.93 2zqb h GLU 133 N 0.96 -0.01 -0.79 0.81 4.39 -0.88 -1.11 114.58 117.95 2zqb h GLU 133 Ca 0.16 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.02 2zqb h GLU 133 Cb 0.60 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.16 2zqb h GLU 133 CO 0.04 -0.00 0.33 -0.09 -1.16 0.00 0.00 179.01 178.12 2zqb h ARG 134 N -0.01 0.44 -0.26 2.33 9.65 -1.28 -0.89 114.38 124.36 2zqb h ARG 134 Ca 0.15 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.92 2zqb h ARG 134 Cb 0.24 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2zqb h ARG 134 CO -0.33 0.29 -0.22 0.00 2.80 0.00 0.00 179.97 182.52 2zqb h HIS 136 N 0.44 0.19 -0.93 0.00 -0.00 -0.71 -0.49 115.15 113.65 2zqb h HIS 136 Ca 0.07 -0.06 0.06 0.00 -0.00 0.00 0.00 60.37 60.45 2zqb h HIS 136 Cb 0.62 -0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 2zqb h HIS 136 CO 0.02 0.60 0.59 0.37 -0.00 0.00 0.00 177.93 179.51 2zqb h GLN 137 N -0.28 1.04 -0.49 5.26 4.15 -1.00 -0.53 115.11 123.24 2zqb h GLN 137 Ca 0.01 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2zqb h GLN 137 Cb 0.57 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2zqb h GLN 137 CO 0.02 0.69 0.04 -0.07 -1.93 0.00 0.00 178.83 177.57 2zqb h LEU 138 N 1.07 0.75 -0.26 -2.39 3.38 -0.60 -2.35 115.31 114.92 2zqb h LEU 138 Ca 0.40 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 58.00 2zqb h LEU 138 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2zqb h LEU 138 CO -0.17 0.80 -0.77 0.00 0.09 0.00 0.00 178.44 178.39 2zqb h ALA 139 N 1.29 0.43 -0.16 1.53 0.00 -0.23 -2.72 119.26 119.39 2zqb h ALA 139 Ca 0.15 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2zqb h ALA 139 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2zqb h ALA 139 CO 0.01 0.72 -0.60 0.00 0.00 0.00 0.00 179.25 179.38 2zqb h ARG 140 N 0.43 0.53 0.00 0.00 3.08 -1.00 -1.53 114.38 115.90 2zqb h ARG 140 Ca -0.05 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2zqb h ARG 140 Cb 1.37 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 2zqb h ARG 140 CO 0.15 0.97 -0.05 0.00 -1.07 0.00 0.00 179.97 179.97 2zqb h ALA 141 N 0.94 0.98 0.10 0.04 0.00 -1.32 0.28 119.26 120.29 2zqb h ALA 141 Ca -0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 2zqb h ALA 141 Cb 1.15 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.96 2zqb h ALA 141 CO 0.11 0.06 -1.19 0.00 0.00 0.00 0.00 179.25 178.23 2zqb h ALA 142 N 1.95 0.01 -0.69 0.00 0.00 -1.16 -2.96 119.26 116.41 2zqb h ALA 142 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2zqb h ALA 142 Cb 0.83 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2zqb h ALA 142 CO 0.01 0.67 0.35 0.00 0.00 0.00 0.00 179.25 180.28 2zqb h ALA 143 N 0.30 0.89 0.00 0.00 0.00 -1.04 -2.96 119.26 116.44 2zqb h ALA 143 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2zqb h ALA 143 Cb 1.87 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2zqb h ALA 143 CO 0.23 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.30 2zqb n GLU 144 N -4.47 0.88 -0.83 0.00 1.02 0.96 -3.94 120.64 114.27 2zqb n GLU 144 Ca 0.06 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.25 2zqb n GLU 144 Cb 0.11 -1.30 0.36 0.00 -0.02 0.00 0.00 31.44 30.59 2zqb n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zqb n ALA 145 N -0.80 3.82 -3.74 0.62 0.00 -1.12 -4.92 120.51 114.37 2zqb n ALA 145 Ca 0.13 -1.77 -0.33 0.00 0.00 0.00 0.00 53.44 51.46 2zqb n ALA 145 Cb 0.06 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.42 2zqb n ALA 145 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2zqb n ASN 146 N 0.51 -4.95 -4.78 0.00 4.05 -1.25 -4.91 115.26 103.93 2zqb n ASN 146 Ca 0.26 -1.05 -0.33 0.00 0.45 0.00 0.00 54.58 53.91 2zqb n ASN 146 Cb 1.13 -3.15 0.04 0.00 1.23 0.00 0.00 39.78 39.03 2zqb n ASN 146 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2zqb s PRO 147 N -6.19 2.95 -0.01 1.20 0.04 -1.26 -4.93 135.00 126.79 2zqb s PRO 147 Ca 0.46 1.36 0.11 0.00 0.04 0.00 0.00 61.00 62.97 2zqb s PRO 147 Cb -0.18 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.23 2zqb s PRO 147 CO 0.88 -1.13 0.25 0.25 0.04 0.00 0.00 177.00 177.29 2zqb n THR 148 N -2.27 0.00 -1.73 1.26 -2.24 -1.26 -3.83 114.28 104.20 2zqb n THR 148 Ca 0.10 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2zqb n THR 148 Cb 0.52 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 2zqb n THR 148 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2zqb n GLN 149 N -1.83 2.47 -2.99 -0.78 7.27 -1.26 -4.68 117.38 115.59 2zqb n GLN 149 Ca -0.02 0.87 -0.40 0.00 0.07 0.00 0.00 57.00 57.53 2zqb n GLN 149 Cb 0.27 -2.58 -0.06 0.00 2.41 0.00 0.00 30.24 30.29 2zqb n GLN 149 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2zqb s ILE 150 N -0.62 4.55 -0.92 1.69 1.10 -1.26 -1.54 121.20 124.20 2zqb s ILE 150 Ca 0.59 1.66 -0.24 0.00 -0.51 0.00 0.00 60.65 62.14 2zqb s ILE 150 Cb -0.53 -4.12 -0.03 0.00 0.15 0.00 0.00 42.46 37.93 2zqb s ILE 150 CO 0.57 0.45 1.87 -0.62 -2.11 0.00 0.00 174.94 175.09 2zqb s ASP 151 N -0.61 5.35 -0.20 4.50 -1.08 -1.26 -4.93 116.67 118.43 2zqb s ASP 151 Ca 0.37 -0.78 -0.35 0.00 -0.52 0.00 0.00 52.55 51.27 2zqb s ASP 151 Cb -0.22 -2.56 -0.12 0.00 -1.46 0.00 0.00 42.92 38.57 2zqb s ASP 151 CO 0.24 -2.55 1.97 0.41 0.52 0.00 0.00 175.17 175.77 2zqb n THR 152 N 7.71 0.42 -1.12 1.71 -1.04 -1.26 -4.21 114.28 116.49 2zqb n THR 152 Ca 0.39 -0.17 -0.37 0.00 -2.04 0.00 0.00 64.05 61.86 2zqb n THR 152 Cb 0.48 -1.78 0.05 0.00 -1.82 0.00 0.00 70.33 67.26 2zqb n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2zqb n GLY 153 N 5.07 -3.14 3.29 3.41 0.00 -1.26 -5.08 105.19 107.48 2zqb n GLY 153 Ca 0.29 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2zqb n GLY 153 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30