#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqf s THR 2 N 0.00 5.12 0.06 0.00 2.01 -0.35 -4.98 115.64 117.50 3gqf s THR 2 Ca 0.00 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.41 3gqf s THR 2 Cb 0.00 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3gqf s THR 2 CO 0.00 0.03 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.29 3gqf s LYS 3 N -2.82 0.79 0.17 4.92 1.02 -1.26 -1.62 119.74 120.94 3gqf s LYS 3 Ca 0.33 -0.88 -0.07 0.00 0.02 0.00 0.00 55.97 55.38 3gqf s LYS 3 Cb -0.12 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.41 3gqf s LYS 3 CO 0.27 0.17 0.24 0.00 -0.92 0.00 0.00 175.35 175.11 3gqf s ALA 4 N -1.19 0.23 0.02 5.17 0.00 -0.77 -1.66 121.76 123.56 3gqf s ALA 4 Ca -0.02 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 3gqf s ALA 4 Cb -0.09 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3gqf s ALA 4 CO 0.02 -0.63 0.39 0.54 0.00 0.00 0.00 175.76 176.08 3gqf s VAL 5 N -4.00 0.06 -0.06 0.00 0.11 -0.15 -0.95 120.40 115.40 3gqf s VAL 5 Ca 0.20 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 3gqf s VAL 5 Cb 0.04 -0.85 0.04 0.00 -1.53 0.00 0.00 36.38 34.08 3gqf s VAL 5 CO 0.02 -0.25 0.13 0.00 -3.33 0.00 0.00 175.10 171.67 3gqf s VAL 7 N 1.23 5.20 -0.20 0.00 1.01 -1.26 -1.02 120.40 125.36 3gqf s VAL 7 Ca -0.08 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 3gqf s VAL 7 Cb -0.12 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3gqf s VAL 7 CO -0.06 -0.16 0.71 -0.76 0.00 0.00 0.00 175.10 174.84 3gqf s LEU 8 N 1.92 4.14 0.03 3.92 1.02 0.21 -3.99 118.68 125.92 3gqf s LEU 8 Ca 0.09 0.96 0.02 0.00 0.02 0.00 0.00 54.13 55.22 3gqf s LEU 8 Cb -0.17 -3.03 -0.02 0.00 0.02 0.00 0.00 46.19 42.99 3gqf s LEU 8 CO 0.11 -0.34 -0.06 -0.54 0.02 0.00 0.00 176.35 175.54 3gqf s LYS 9 N 2.12 0.47 0.00 1.70 1.02 -0.22 -1.84 119.74 122.98 3gqf s LYS 9 Ca 0.32 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.73 3gqf s LYS 9 Cb -0.16 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 3gqf s LYS 9 CO 0.11 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3gqf n GLY 10 N 1.88 4.60 0.07 -3.33 0.00 -1.23 -1.29 105.19 105.88 3gqf n GLY 10 Ca -0.20 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 3gqf n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqf h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.90 -3.48 116.42 115.98 3gqf h ASP 11 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3gqf h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gqf h ASP 11 CO 0.00 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 3gqf n GLY 12 N 1.65 -2.06 0.01 2.75 0.00 -1.26 -4.92 105.19 101.35 3gqf n GLY 12 Ca -0.09 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.75 3gqf n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqf n PRO 13 N 0.00 0.54 -2.50 1.61 -0.04 -1.26 -4.89 135.00 128.45 3gqf n PRO 13 Ca 0.00 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 3gqf n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3gqf n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gqf s VAL 14 N -2.47 4.39 0.06 0.52 1.01 -1.26 -4.50 120.40 118.15 3gqf s VAL 14 Ca 0.32 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.82 3gqf s VAL 14 Cb 0.21 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3gqf s VAL 14 CO 0.45 -0.06 0.37 0.00 0.00 0.00 0.00 175.10 175.86 3gqf s GLN 15 N 2.66 0.91 0.02 2.72 -2.07 -1.10 -3.58 119.66 119.23 3gqf s GLN 15 Ca 0.53 -0.49 -0.27 0.00 -1.82 0.00 0.00 55.36 53.30 3gqf s GLN 15 Cb -0.22 0.40 0.09 0.00 -1.09 0.00 0.00 33.01 32.20 3gqf s GLN 15 CO 0.17 -0.32 1.24 0.20 -1.32 0.00 0.00 175.29 175.27 3gqf s GLY 16 N -2.21 -0.11 -0.06 2.60 0.00 -0.77 -1.15 107.32 105.62 3gqf s GLY 16 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.72 3gqf s GLY 16 CO -0.05 4.65 -0.07 -0.42 0.00 0.00 0.00 173.10 177.21 3gqf s ILE 17 N -2.08 0.75 -0.11 0.90 1.01 -0.50 -0.62 121.20 120.55 3gqf s ILE 17 Ca 0.27 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3gqf s ILE 17 Cb -0.00 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.72 3gqf s ILE 17 CO 0.00 0.28 -0.20 -0.63 0.00 0.00 0.00 174.94 174.39 3gqf s ILE 18 N 1.01 1.81 0.09 2.92 -1.09 -0.19 -1.64 121.20 124.10 3gqf s ILE 18 Ca -0.09 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 3gqf s ILE 18 Cb -0.14 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 3gqf s ILE 18 CO -0.00 0.50 0.18 0.20 -1.23 0.00 0.00 174.94 174.59 3gqf s ASN 19 N 0.64 6.08 -0.00 3.58 -0.87 0.21 -0.74 114.94 123.84 3gqf s ASN 19 Ca -0.13 0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.35 3gqf s ASN 19 Cb -0.16 -1.79 -0.01 0.00 -0.02 0.00 0.00 41.25 39.27 3gqf s ASN 19 CO 0.03 0.14 -0.12 -0.36 -2.57 0.00 0.00 177.10 174.23 3gqf s PHE 20 N -1.54 1.05 -0.10 2.20 0.40 -0.12 -1.20 117.98 118.67 3gqf s PHE 20 Ca 0.33 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 3gqf s PHE 20 Cb -0.12 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.78 3gqf s PHE 20 CO 0.26 -0.01 0.22 -2.00 0.70 0.00 0.00 175.22 174.39 3gqf s GLU 21 N -0.36 0.17 -0.22 0.44 2.12 0.03 -1.84 118.70 119.04 3gqf s GLU 21 Ca 0.04 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.87 3gqf s GLU 21 Cb -0.05 -0.14 0.05 0.00 0.26 0.00 0.00 34.13 34.26 3gqf s GLU 21 CO -0.00 -0.17 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.34 3gqf s GLN 22 N 1.28 1.78 0.13 4.30 0.74 -0.64 -0.23 119.66 127.02 3gqf s GLN 22 Ca -0.09 -0.95 -0.10 0.00 0.05 0.00 0.00 55.36 54.27 3gqf s GLN 22 Cb -0.11 -2.53 -0.08 0.00 1.10 0.00 0.00 33.01 31.39 3gqf s GLN 22 CO -0.08 -0.54 1.37 0.87 -0.55 0.00 0.00 175.29 176.37 3gqf h LYS 23 N 7.95 0.76 -5.86 1.67 1.57 -1.83 -0.93 116.57 119.90 3gqf h LYS 23 Ca -0.21 -0.56 -0.50 0.00 -1.87 0.00 0.00 60.65 57.51 3gqf h LYS 23 Cb 1.08 0.10 -0.19 0.00 0.08 0.00 0.00 32.23 33.29 3gqf h LYS 23 CO 0.43 1.17 -0.79 -1.21 -0.57 0.00 0.00 179.45 178.49 3gqf s GLU 24 N -3.89 1.16 0.18 3.15 0.41 -1.26 -3.41 118.70 115.05 3gqf s GLU 24 Ca -0.10 -1.29 -0.33 0.00 -0.41 0.00 0.00 54.97 52.84 3gqf s GLU 24 Cb 0.10 -1.23 -0.14 0.00 -1.78 0.00 0.00 34.13 31.07 3gqf s GLU 24 CO 0.89 0.26 1.41 0.45 -0.49 0.00 0.00 175.26 177.77 3gqf n SER 25 N 0.59 2.47 0.00 -0.19 2.88 -1.26 -1.02 113.62 117.08 3gqf n SER 25 Ca -0.16 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 3gqf n SER 25 Cb 0.56 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3gqf n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3gqf n ASN 26 N 2.56 -5.02 -4.13 -3.46 5.15 -1.26 -4.96 115.26 104.13 3gqf n ASN 26 Ca 0.15 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.83 3gqf n ASN 26 Cb 0.28 -3.08 0.19 0.00 -0.53 0.00 0.00 39.78 36.63 3gqf n ASN 26 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3gqf s GLY 27 N -1.74 1.79 0.54 8.20 0.00 -0.19 -5.02 107.32 110.89 3gqf s GLY 27 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 44.72 43.24 3gqf s GLY 27 CO 0.00 -0.49 1.33 2.56 0.00 0.00 0.00 173.10 176.51 3gqf s PRO 28 N -5.86 3.21 -0.22 2.90 0.04 -1.26 -4.83 135.00 128.98 3gqf s PRO 28 Ca 0.74 2.18 -0.05 0.00 0.04 0.00 0.00 61.00 63.91 3gqf s PRO 28 Cb -0.04 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3gqf s PRO 28 CO 0.53 -1.12 -0.01 0.08 0.04 0.00 0.00 177.00 176.52 3gqf s VAL 29 N -1.33 3.67 -0.09 -0.36 1.01 0.97 -4.21 120.40 120.05 3gqf s VAL 29 Ca 0.71 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 3gqf s VAL 29 Cb -0.39 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3gqf s VAL 29 CO 0.46 0.41 0.92 -0.54 0.00 0.00 0.00 175.10 176.35 3gqf s LYS 30 N 1.38 4.43 -0.22 2.72 3.01 0.68 -1.24 119.74 130.51 3gqf s LYS 30 Ca 0.05 1.24 0.00 0.00 -1.01 0.00 0.00 55.97 56.24 3gqf s LYS 30 Cb -0.14 -3.52 0.03 0.00 -1.01 0.00 0.00 37.83 33.18 3gqf s LYS 30 CO -0.01 -0.21 -0.13 0.08 0.51 0.00 0.00 175.35 175.59 3gqf s VAL 31 N 1.65 2.41 0.00 3.17 1.01 0.55 -0.79 120.40 128.41 3gqf s VAL 31 Ca 0.45 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3gqf s VAL 31 Cb -0.18 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3gqf s VAL 31 CO 0.19 0.34 0.26 -1.66 0.00 0.00 0.00 175.10 174.23 3gqf s TRP 32 N 1.28 -0.09 -3.97 5.22 -2.14 -0.34 -0.45 118.94 118.45 3gqf s TRP 32 Ca 0.01 0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.84 3gqf s TRP 32 Cb -0.15 0.05 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 3gqf s TRP 32 CO -0.08 -0.39 0.00 0.41 -2.66 0.00 0.00 176.95 174.23 3gqf n GLY 33 N 1.14 -0.76 2.91 3.67 0.00 -0.99 0.67 105.19 111.82 3gqf n GLY 33 Ca -0.21 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 3gqf n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqf s SER 34 N -4.00 0.45 -0.06 1.61 0.15 -0.65 -0.92 113.70 110.27 3gqf s SER 34 Ca 0.00 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.61 3gqf s SER 34 Cb 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 3gqf s SER 34 CO 0.00 0.02 -0.12 -0.63 1.20 0.00 0.00 173.24 173.70 3gqf s ILE 35 N 0.15 1.14 0.42 6.45 1.01 -0.47 -1.41 121.20 128.50 3gqf s ILE 35 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3gqf s ILE 35 Cb -0.04 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.32 3gqf s ILE 35 CO -0.00 0.35 0.01 -1.59 0.00 0.00 0.00 174.94 173.72 3gqf s LYS 36 N 0.59 1.97 -0.16 2.79 -2.85 -0.30 0.14 119.74 121.92 3gqf s LYS 36 Ca -0.13 -2.14 0.00 0.00 -1.00 0.00 0.00 55.97 52.69 3gqf s LYS 36 Cb -0.15 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3gqf s LYS 36 CO 0.04 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.78 3gqf n GLY 37 N -1.00 0.31 3.48 0.59 0.00 -0.95 -2.70 105.19 104.92 3gqf n GLY 37 Ca -0.07 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 3gqf n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gqf s LEU 38 N -0.52 2.69 0.38 0.99 2.96 -0.85 -4.12 118.68 120.21 3gqf s LEU 38 Ca 0.00 -0.46 -0.27 0.00 -0.22 0.00 0.00 54.13 53.18 3gqf s LEU 38 Cb 0.00 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 45.03 3gqf s LEU 38 CO 0.00 0.23 1.31 0.42 -1.32 0.00 0.00 176.35 176.98 3gqf s THR 39 N -1.02 2.64 0.30 3.68 -4.23 -1.26 -4.10 115.64 111.65 3gqf s THR 39 Ca 0.16 0.60 -0.28 0.00 -1.18 0.00 0.00 61.69 60.98 3gqf s THR 39 Cb -0.11 -3.36 -0.13 0.00 1.34 0.00 0.00 72.50 70.24 3gqf s THR 39 CO 0.08 0.11 1.17 1.21 -0.54 0.00 0.00 174.62 176.64 3gqf n GLU 40 N 0.36 1.74 0.00 3.99 2.13 -1.26 -4.60 120.64 122.99 3gqf n GLU 40 Ca 0.02 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3gqf n GLU 40 Cb 0.43 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3gqf n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gqf n GLY 41 N 1.12 -0.10 3.76 8.31 0.00 -0.70 -4.92 105.19 112.65 3gqf n GLY 41 Ca 0.08 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 3gqf n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 42 N 0.00 4.41 -0.04 0.99 1.43 -1.26 -0.75 118.68 123.46 3gqf s LEU 42 Ca 0.00 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 3gqf s LEU 42 Cb 0.00 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.26 3gqf s LEU 42 CO 0.00 0.07 -0.04 -1.00 0.23 0.00 0.00 176.35 175.61 3gqf s HIS 43 N -0.10 0.68 0.32 0.29 3.76 -0.04 -2.51 115.29 117.69 3gqf s HIS 43 Ca 0.33 -0.17 -0.29 0.00 -0.15 0.00 0.00 55.06 54.78 3gqf s HIS 43 Cb -0.19 -0.61 -0.12 0.00 1.11 0.00 0.00 32.58 32.77 3gqf s HIS 43 CO 0.18 -0.17 1.34 0.41 -0.85 0.00 0.00 174.74 175.65 3gqf n GLY 44 N 4.00 0.70 2.76 -2.22 0.00 -0.27 -1.00 105.19 109.16 3gqf n GLY 44 Ca -0.26 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3gqf n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gqf s PHE 45 N -0.80 -0.13 0.18 1.61 5.36 -0.06 -0.93 117.98 123.21 3gqf s PHE 45 Ca 0.59 0.32 -0.18 0.00 -0.96 0.00 0.00 56.93 56.69 3gqf s PHE 45 Cb -0.58 -0.38 0.03 0.00 -0.34 0.00 0.00 43.02 41.76 3gqf s PHE 45 CO 0.59 -0.41 0.51 -0.98 -1.46 0.00 0.00 175.22 173.46 3gqf s ARG 46 N 2.27 1.30 -0.24 10.12 3.03 -0.85 -2.37 118.95 132.22 3gqf s ARG 46 Ca 0.04 -0.79 -0.09 0.00 2.03 0.00 0.00 55.73 56.92 3gqf s ARG 46 Cb -0.14 0.52 -0.04 0.00 -1.03 0.00 0.00 34.95 34.26 3gqf s ARG 46 CO -0.08 -0.55 0.13 0.08 -1.13 0.00 0.00 175.30 173.75 3gqf s VAL 47 N -3.84 5.03 0.42 4.99 1.01 0.26 -1.23 120.40 127.03 3gqf s VAL 47 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3gqf s VAL 47 Cb -0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3gqf s VAL 47 CO -0.06 0.35 0.71 -1.10 0.00 0.00 0.00 175.10 175.01 3gqf s GLN 48 N 1.12 3.59 0.15 2.72 -0.21 0.18 -0.91 119.66 126.29 3gqf s GLN 48 Ca 0.06 0.13 -0.16 0.00 0.02 0.00 0.00 55.36 55.42 3gqf s GLN 48 Cb -0.14 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.42 3gqf s GLN 48 CO 0.04 -0.06 1.77 1.49 -2.12 0.00 0.00 175.29 176.41 3gqf h GLU 49 N 0.69 0.56 -5.97 2.91 4.81 -0.94 -3.06 114.58 113.59 3gqf h GLU 49 Ca -0.48 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 3gqf h GLU 49 Cb 1.20 -0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.33 3gqf h GLU 49 CO 0.63 0.43 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.68 3gqf s PHE 50 N -5.94 3.21 -0.35 0.92 0.08 -0.12 -4.69 117.98 111.10 3gqf s PHE 50 Ca -0.13 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 3gqf s PHE 50 Cb 0.11 -1.78 0.12 0.00 -0.57 0.00 0.00 43.02 40.89 3gqf s PHE 50 CO 0.73 0.51 2.44 0.41 -0.10 0.00 0.00 175.22 179.22 3gqf n GLY 51 N 1.89 4.13 3.36 4.36 0.00 -1.09 -3.15 105.19 114.69 3gqf n GLY 51 Ca -0.17 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3gqf n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqf s ASP 52 N 0.38 5.74 -0.27 1.61 -1.08 -1.26 -4.94 116.67 116.85 3gqf s ASP 52 Ca 0.45 -1.08 0.10 0.00 -0.52 0.00 0.00 52.55 51.49 3gqf s ASP 52 Cb 0.31 -2.03 0.48 0.00 -1.46 0.00 0.00 42.92 40.22 3gqf s ASP 52 CO -0.10 -0.42 1.40 0.59 0.52 0.00 0.00 175.17 177.16 3gqf n ASN 53 N 5.00 2.29 0.24 -0.34 3.02 -1.26 -2.59 115.26 121.62 3gqf n ASN 53 Ca -0.12 -3.80 0.11 0.00 -0.03 0.00 0.00 54.58 50.74 3gqf n ASN 53 Cb 0.45 -0.61 0.59 0.00 -0.61 0.00 0.00 39.78 39.60 3gqf n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gqf h THR 54 N 1.00 0.63 -1.22 3.41 1.35 -1.92 -2.68 112.91 113.49 3gqf h THR 54 Ca 0.16 -0.85 -0.53 0.00 -0.55 0.00 0.00 66.41 64.64 3gqf h THR 54 Cb 1.48 1.55 -0.42 0.00 -1.73 0.00 0.00 68.15 69.03 3gqf h THR 54 CO 0.28 0.19 -0.83 0.00 -0.25 0.00 0.00 175.52 174.91 3gqf n ALA 55 N -2.27 4.71 -0.69 6.62 0.00 -1.26 -5.08 120.51 122.53 3gqf n ALA 55 Ca -0.01 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.47 3gqf n ALA 55 Cb 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3gqf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 56 N -0.48 0.47 0.26 0.00 0.00 -1.01 -3.72 105.19 100.70 3gqf n GLY 56 Ca 0.35 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.69 3gqf n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqf h THR 58 N 0.00 1.14 0.00 0.00 1.35 -1.90 -2.96 112.91 110.54 3gqf h THR 58 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3gqf h THR 58 Cb 0.59 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3gqf h THR 58 CO 0.01 0.15 0.00 -1.54 -0.25 0.00 0.00 175.52 173.89 3gqf n SER 59 N -4.43 0.00 0.04 5.36 3.41 -1.22 -3.66 113.62 113.12 3gqf n SER 59 Ca 0.04 -0.90 0.13 0.00 -0.26 0.00 0.00 58.87 57.88 3gqf n SER 59 Cb 0.08 -0.03 0.51 0.00 -0.26 0.00 0.00 64.21 64.51 3gqf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqf n ALA 60 N -1.03 2.17 0.00 7.33 0.00 -1.07 -4.59 120.51 123.32 3gqf n ALA 60 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3gqf n ALA 60 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3gqf n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 61 N 1.12 -1.63 3.80 0.00 0.00 -1.24 -0.94 105.19 106.30 3gqf n GLY 61 Ca 0.06 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3gqf n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqf s PRO 62 N 0.00 0.51 0.35 1.61 0.04 -1.26 -4.67 135.00 131.58 3gqf s PRO 62 Ca 0.00 -0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.74 3gqf s PRO 62 Cb 0.00 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 3gqf s PRO 62 CO 0.00 -2.57 1.50 -1.01 0.04 0.00 0.00 177.00 174.97 3gqf s HIS 63 N -3.43 2.66 -0.25 0.56 3.76 -1.26 -0.78 115.29 116.56 3gqf s HIS 63 Ca 0.68 1.07 -0.33 0.00 -0.15 0.00 0.00 55.06 56.33 3gqf s HIS 63 Cb -0.10 -4.01 -0.10 0.00 1.11 0.00 0.00 32.58 29.48 3gqf s HIS 63 CO 0.53 -3.09 2.11 0.34 -0.85 0.00 0.00 174.74 173.79 3gqf n PHE 64 N 0.98 1.89 -3.16 1.40 7.35 -0.09 -4.50 117.46 121.33 3gqf n PHE 64 Ca 0.03 0.11 -0.20 0.00 -0.76 0.00 0.00 57.45 56.63 3gqf n PHE 64 Cb 0.39 -2.61 -0.04 0.00 0.35 0.00 0.00 39.48 37.57 3gqf n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3gqf n ASN 65 N 9.41 0.39 0.29 -2.13 5.15 -1.26 -1.55 115.26 125.56 3gqf n ASN 65 Ca 0.33 -2.92 0.18 0.00 -0.60 0.00 0.00 54.58 51.57 3gqf n ASN 65 Cb 0.30 -0.48 0.86 0.00 -0.53 0.00 0.00 39.78 39.92 3gqf n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gqf h PRO 66 N 3.39 0.00 -0.51 1.20 0.13 -1.93 -2.79 132.00 131.49 3gqf h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3gqf h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3gqf h PRO 66 CO 0.47 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.54 3gqf n LEU 67 N -3.15 3.59 -3.85 1.56 4.77 -1.26 -4.97 117.00 113.68 3gqf n LEU 67 Ca -0.01 -1.64 -0.24 0.00 -0.03 0.00 0.00 56.01 54.08 3gqf n LEU 67 Cb 0.23 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3gqf n LEU 67 CO 0.25 0.82 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.81 3gqf n SER 68 N 1.52 -1.19 -4.95 -1.43 7.64 -1.05 -5.01 113.62 109.15 3gqf n SER 68 Ca 0.21 -0.91 -0.21 0.00 1.01 0.00 0.00 58.87 58.98 3gqf n SER 68 Cb 0.60 -3.55 0.08 0.00 -1.01 0.00 0.00 64.21 60.33 3gqf n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gqf s ARG 69 N -6.32 2.11 0.43 1.43 1.81 -1.26 -5.13 118.95 112.01 3gqf s ARG 69 Ca 0.09 -1.57 -0.01 0.00 -1.72 0.00 0.00 55.73 52.52 3gqf s ARG 69 Cb -0.05 -2.57 -0.02 0.00 -0.45 0.00 0.00 34.95 31.86 3gqf s ARG 69 CO 0.85 -1.05 0.66 0.15 -0.68 0.00 0.00 175.30 175.24 3gqf s LYS 70 N -4.80 3.32 0.26 3.54 1.02 -1.26 -4.74 119.74 117.07 3gqf s LYS 70 Ca 0.64 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.08 3gqf s LYS 70 Cb -0.05 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 3gqf s LYS 70 CO 0.41 -0.13 1.43 -1.58 -0.92 0.00 0.00 175.35 174.56 3gqf s HIS 71 N -2.53 3.01 0.04 3.18 5.65 -0.14 -3.04 115.29 121.45 3gqf s HIS 71 Ca 0.45 1.06 -0.00 0.00 0.25 0.00 0.00 55.06 56.82 3gqf s HIS 71 Cb -0.10 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 3gqf s HIS 71 CO 0.39 -2.62 0.05 0.41 -0.65 0.00 0.00 174.74 172.32 3gqf n GLY 72 N 2.05 3.08 3.92 1.59 0.00 -1.23 -4.31 105.19 110.29 3gqf n GLY 72 Ca 0.06 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 3gqf n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqf s GLY 73 N -1.24 1.55 0.58 -0.02 0.00 -1.25 -4.73 107.32 102.21 3gqf s GLY 73 Ca 0.03 -0.73 0.28 0.00 0.00 0.00 0.00 44.72 44.31 3gqf s GLY 73 CO 0.02 -0.52 2.10 -0.56 0.00 0.00 0.00 173.10 174.15 3gqf h PRO 74 N 0.12 0.00 0.00 2.90 0.13 -1.88 -1.33 132.00 131.94 3gqf h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gqf h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gqf h PRO 74 CO 0.60 0.00 -0.33 1.63 -0.23 0.00 0.00 178.00 179.67 3gqf n LYS 75 N -3.87 0.06 -3.17 0.86 5.02 -1.26 -4.89 118.16 110.91 3gqf n LYS 75 Ca 0.02 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 3gqf n LYS 75 Cb 0.32 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3gqf n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gqf s ASP 76 N -3.28 6.73 0.08 4.39 1.01 -0.50 -5.00 116.67 120.10 3gqf s ASP 76 Ca 0.11 1.21 -0.12 0.00 0.71 0.00 0.00 52.55 54.46 3gqf s ASP 76 Cb 0.17 -2.34 -0.22 0.00 1.01 0.00 0.00 42.92 41.54 3gqf s ASP 76 CO 0.64 -0.19 1.20 -0.33 0.21 0.00 0.00 175.17 176.70 3gqf h GLU 77 N 2.24 0.64 -6.15 8.23 4.39 -1.90 -3.38 114.58 118.67 3gqf h GLU 77 Ca -0.48 -0.71 -0.55 0.00 0.34 0.00 0.00 59.36 57.96 3gqf h GLU 77 Cb 1.17 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.95 3gqf h GLU 77 CO 0.66 1.30 1.29 -1.21 -1.16 0.00 0.00 179.01 179.89 3gqf s GLU 78 N -3.26 3.33 0.11 2.33 0.41 -1.26 -4.92 118.70 115.44 3gqf s GLU 78 Ca -0.09 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 53.62 3gqf s GLU 78 Cb 0.07 -4.93 0.03 0.00 -1.78 0.00 0.00 34.13 27.52 3gqf s GLU 78 CO 0.91 -2.32 0.38 -0.98 -0.49 0.00 0.00 175.26 172.76 3gqf s ARG 79 N 5.49 1.03 0.46 1.61 1.70 -1.17 -3.56 118.95 124.50 3gqf s ARG 79 Ca 0.46 -0.71 -0.21 0.00 -0.47 0.00 0.00 55.73 54.80 3gqf s ARG 79 Cb -0.04 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 3gqf s ARG 79 CO -0.00 -0.39 1.03 -1.01 -1.08 0.00 0.00 175.30 173.84 3gqf s HIS 80 N -3.70 3.10 0.32 5.89 3.76 -1.18 -4.62 115.29 118.86 3gqf s HIS 80 Ca 0.02 1.60 0.08 0.00 -0.15 0.00 0.00 55.06 56.61 3gqf s HIS 80 Cb 0.02 -3.04 0.79 0.00 1.11 0.00 0.00 32.58 31.46 3gqf s HIS 80 CO -0.11 -0.67 1.78 0.28 -0.85 0.00 0.00 174.74 175.16 3gqf h VAL 81 N 1.74 0.68 0.00 -0.90 2.07 -1.87 -2.26 116.25 115.71 3gqf h VAL 81 Ca -0.49 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3gqf h VAL 81 Cb 1.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3gqf h VAL 81 CO 0.60 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3gqf n GLY 82 N -1.35 -0.95 3.55 2.17 0.00 -0.59 -4.33 105.19 103.69 3gqf n GLY 82 Ca 0.24 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3gqf n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqf s ASP 83 N -2.10 5.93 -0.06 1.61 1.01 -0.85 -0.58 116.67 121.63 3gqf s ASP 83 Ca 0.41 -0.22 0.19 0.00 0.71 0.00 0.00 52.55 53.63 3gqf s ASP 83 Cb 0.20 -2.55 0.63 0.00 1.01 0.00 0.00 42.92 42.20 3gqf s ASP 83 CO 0.35 -1.97 1.54 0.18 0.21 0.00 0.00 175.17 175.47 3gqf n LEU 84 N 10.26 4.18 0.00 1.23 4.77 -1.00 -4.02 117.00 132.42 3gqf n LEU 84 Ca 0.08 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 3gqf n LEU 84 Cb 0.50 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gqf n LEU 84 CO 0.71 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 3gqf n GLY 85 N 1.14 0.71 3.51 -0.72 0.00 -1.17 -4.82 105.19 103.84 3gqf n GLY 85 Ca 0.23 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3gqf n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqf s ASN 86 N -4.00 3.91 0.20 1.61 0.01 -1.26 -0.88 114.94 114.53 3gqf s ASN 86 Ca 0.00 -0.69 0.10 0.00 -0.71 0.00 0.00 52.86 51.56 3gqf s ASN 86 Cb 0.00 -0.53 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 3gqf s ASN 86 CO 0.00 0.12 -0.13 0.68 -1.51 0.00 0.00 177.10 176.26 3gqf s VAL 87 N -1.64 2.96 -0.22 1.60 -7.23 -0.17 -4.91 120.40 110.78 3gqf s VAL 87 Ca 0.23 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3gqf s VAL 87 Cb -0.09 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.39 3gqf s VAL 87 CO 0.13 -0.16 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.80 3gqf s THR 88 N -1.81 3.01 0.14 5.32 2.01 -1.26 -0.86 115.64 122.18 3gqf s THR 88 Ca 0.25 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 3gqf s THR 88 Cb -0.08 -2.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.96 3gqf s THR 88 CO 0.14 0.38 0.86 0.00 -0.69 0.00 0.00 174.62 175.32 3gqf s ALA 89 N 1.41 3.35 0.95 7.40 0.00 0.07 -4.19 121.76 130.74 3gqf s ALA 89 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3gqf s ALA 89 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3gqf s ALA 89 CO -0.05 0.13 0.00 -0.40 0.00 0.00 0.00 175.76 175.43 3gqf n ASP 90 N 2.22 0.00 -0.21 0.00 5.68 0.73 -1.72 116.55 123.25 3gqf n ASP 90 Ca -0.02 -0.91 0.01 0.00 -0.50 0.00 0.00 54.79 53.38 3gqf n ASP 90 Cb 0.49 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.73 3gqf n ASP 90 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3gqf h LYS 91 N 0.00 0.96 -0.05 0.11 3.64 -1.97 -0.99 116.57 118.27 3gqf h LYS 91 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3gqf h LYS 91 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3gqf h LYS 91 CO 0.00 0.63 0.00 -0.25 -2.27 0.00 0.00 179.45 177.56 3gqf n ASP 92 N -4.43 0.60 0.00 4.20 8.00 -1.26 -4.83 116.55 118.82 3gqf n ASP 92 Ca 0.08 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3gqf n ASP 92 Cb 0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3gqf n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqf n GLY 93 N 0.94 0.59 3.38 0.44 0.00 -0.37 -4.71 105.19 105.45 3gqf n GLY 93 Ca 0.16 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3gqf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqf s VAL 94 N -2.00 3.50 -0.40 1.61 1.01 -1.26 -2.00 120.40 120.87 3gqf s VAL 94 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3gqf s VAL 94 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3gqf s VAL 94 CO 0.00 0.46 0.29 0.00 0.00 0.00 0.00 175.10 175.84 3gqf s ALA 95 N 0.96 3.47 -0.87 5.51 0.00 0.12 -0.19 121.76 130.75 3gqf s ALA 95 Ca -0.00 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.06 3gqf s ALA 95 Cb -0.15 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.21 3gqf s ALA 95 CO 0.01 -1.40 1.19 -0.51 0.00 0.00 0.00 175.76 175.04 3gqf s ASP 96 N 1.68 6.45 0.16 0.00 -0.00 -1.26 -1.36 116.67 122.33 3gqf s ASP 96 Ca 0.05 -1.50 -0.30 0.00 -0.00 0.00 0.00 52.55 50.79 3gqf s ASP 96 Cb -0.19 -2.46 -0.08 0.00 -0.00 0.00 0.00 42.92 40.19 3gqf s ASP 96 CO 0.10 -1.34 1.28 -0.69 -0.00 0.00 0.00 175.17 174.52 3gqf s VAL 97 N 3.88 3.45 -0.29 -1.27 1.01 -0.10 -4.93 120.40 122.15 3gqf s VAL 97 Ca 0.34 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.48 3gqf s VAL 97 Cb -0.07 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.75 3gqf s VAL 97 CO -0.03 0.15 0.44 -0.55 0.00 0.00 0.00 175.10 175.11 3gqf s SER 98 N 0.53 0.01 0.04 3.32 0.15 -1.25 -2.35 113.70 114.15 3gqf s SER 98 Ca 0.57 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 57.06 3gqf s SER 98 Cb -0.34 1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3gqf s SER 98 CO 0.35 -0.34 -0.14 -0.63 1.20 0.00 0.00 173.24 173.68 3gqf s ILE 99 N 2.60 1.14 -0.10 6.45 1.01 0.40 -5.01 121.20 127.69 3gqf s ILE 99 Ca 0.10 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3gqf s ILE 99 Cb -0.12 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3gqf s ILE 99 CO -0.28 0.01 -0.21 -0.70 0.00 0.00 0.00 174.94 173.76 3gqf s GLU 100 N -1.17 2.76 -0.00 2.79 2.12 -1.26 -0.33 118.70 123.61 3gqf s GLU 100 Ca 0.02 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.58 3gqf s GLU 100 Cb -0.08 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.16 3gqf s GLU 100 CO 0.01 0.09 0.00 0.34 -0.54 0.00 0.00 175.26 175.17 3gqf s ASP 101 N 0.56 0.01 0.00 -1.70 2.15 -0.37 -4.95 116.67 112.36 3gqf s ASP 101 Ca -0.15 0.00 0.13 0.00 0.43 0.00 0.00 52.55 52.97 3gqf s ASP 101 Cb -0.17 -0.01 0.07 0.00 -0.30 0.00 0.00 42.92 42.52 3gqf s ASP 101 CO 0.05 -0.02 0.86 -1.20 -0.17 0.00 0.00 175.17 174.70 3gqf n SER 102 N 3.21 1.90 -0.05 -0.34 7.64 -1.26 -0.02 113.62 124.70 3gqf n SER 102 Ca -0.14 -1.45 -0.22 0.00 1.01 0.00 0.00 58.87 58.08 3gqf n SER 102 Cb 0.59 0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.80 3gqf n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gqf n VAL 103 N 0.47 1.67 -1.64 0.44 0.31 -1.26 -4.86 118.33 113.46 3gqf n VAL 103 Ca 0.07 -0.50 -0.33 0.00 -0.01 0.00 0.00 64.34 63.57 3gqf n VAL 103 Cb 0.31 -1.75 0.06 0.00 -0.91 0.00 0.00 33.84 31.55 3gqf n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3gqf s ILE 104 N -2.51 3.01 0.11 2.52 -4.36 -1.26 -4.87 121.20 113.84 3gqf s ILE 104 Ca -0.27 0.47 -0.06 0.00 -0.26 0.00 0.00 60.65 60.53 3gqf s ILE 104 Cb 0.07 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.78 3gqf s ILE 104 CO 0.69 -0.30 0.15 -0.55 0.24 0.00 0.00 174.94 175.17 3gqf s SER 105 N -2.49 0.20 -0.08 4.36 0.15 -0.83 -4.65 113.70 110.36 3gqf s SER 105 Ca 0.68 -0.88 0.17 0.00 0.70 0.00 0.00 55.95 56.63 3gqf s SER 105 Cb -0.22 0.33 0.61 0.00 -1.71 0.00 0.00 66.02 65.03 3gqf s SER 105 CO 0.43 -0.75 1.53 0.18 1.20 0.00 0.00 173.24 175.83 3gqf n LEU 106 N -0.08 4.21 -3.59 3.45 4.77 -1.26 -1.41 117.00 123.10 3gqf n LEU 106 Ca -0.11 -2.35 -0.11 0.00 -0.03 0.00 0.00 56.01 53.41 3gqf n LEU 106 Cb 0.63 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3gqf n LEU 106 CO 0.25 0.81 0.31 -0.94 -1.33 0.00 0.00 177.39 176.50 3gqf s SER 107 N -1.05 -0.38 0.00 -1.43 1.04 -1.26 -4.87 113.70 105.74 3gqf s SER 107 Ca 0.45 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3gqf s SER 107 Cb 0.28 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.97 3gqf s SER 107 CO 0.23 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3gqf n GLY 108 N -0.34 -0.71 0.20 7.32 0.00 -1.26 -3.75 105.19 106.66 3gqf n GLY 108 Ca -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 3gqf n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqf h ASP 109 N 4.32 0.36 -0.57 1.61 3.45 -2.01 -3.12 116.42 120.47 3gqf h ASP 109 Ca 0.00 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.29 3gqf h ASP 109 Cb 0.00 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3gqf h ASP 109 CO 0.00 0.78 0.00 1.41 -1.57 0.00 0.00 179.24 179.86 3gqf n HIS 110 N -3.98 1.83 -2.01 4.55 8.25 -1.26 -4.97 115.22 117.63 3gqf n HIS 110 Ca -0.02 -0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 56.37 3gqf n HIS 110 Cb 0.53 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3gqf n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gqf n ILE 112 N 3.89 0.00 -1.72 0.00 -5.35 -0.50 -4.93 119.36 110.74 3gqf n ILE 112 Ca 0.13 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.79 3gqf n ILE 112 Cb 0.40 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 3gqf n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gqf s ILE 113 N -1.71 2.01 0.00 7.28 1.01 -1.26 -1.82 121.20 126.70 3gqf s ILE 113 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3gqf s ILE 113 Cb 0.13 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3gqf s ILE 113 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3gqf n GLY 114 N 3.83 0.54 3.80 6.18 0.00 0.24 -4.98 105.19 114.81 3gqf n GLY 114 Ca 0.15 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3gqf n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqf s ARG 115 N -0.55 2.22 -0.25 1.61 0.52 -0.76 -2.66 118.95 119.09 3gqf s ARG 115 Ca 0.00 -2.08 -0.09 0.00 -0.52 0.00 0.00 55.73 53.03 3gqf s ARG 115 Cb 0.00 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 3gqf s ARG 115 CO 0.00 -0.36 0.13 0.99 0.02 0.00 0.00 175.30 176.08 3gqf s THR 116 N -2.75 4.96 0.06 0.02 2.01 -1.16 -0.63 115.64 118.15 3gqf s THR 116 Ca 0.28 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.12 3gqf s THR 116 Cb 0.01 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 3gqf s THR 116 CO 0.16 0.33 0.60 -0.22 -0.69 0.00 0.00 174.62 174.80 3gqf s LEU 117 N 1.37 4.50 -0.02 4.42 2.96 -0.57 0.47 118.68 131.82 3gqf s LEU 117 Ca 0.06 1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 3gqf s LEU 117 Cb -0.15 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.59 3gqf s LEU 117 CO 0.06 0.21 0.06 0.54 -1.32 0.00 0.00 176.35 175.90 3gqf s VAL 118 N -0.82 0.03 -0.02 1.68 0.11 -0.37 -1.94 120.40 119.07 3gqf s VAL 118 Ca 0.31 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 3gqf s VAL 118 Cb -0.20 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 3gqf s VAL 118 CO 0.19 -0.13 -0.22 0.54 -3.33 0.00 0.00 175.10 172.16 3gqf s VAL 119 N -0.38 2.42 0.30 2.04 0.11 -0.68 -2.00 120.40 122.21 3gqf s VAL 119 Ca -0.04 -1.02 0.09 0.00 -2.93 0.00 0.00 61.98 58.07 3gqf s VAL 119 Cb -0.03 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 3gqf s VAL 119 CO 0.00 0.55 0.08 -1.00 -3.33 0.00 0.00 175.10 171.40 3gqf s HIS 120 N -0.69 2.73 0.15 1.54 3.76 -0.10 -0.80 115.29 121.89 3gqf s HIS 120 Ca 0.11 -0.29 -0.17 0.00 -0.15 0.00 0.00 55.06 54.56 3gqf s HIS 120 Cb -0.10 -1.43 0.07 0.00 1.11 0.00 0.00 32.58 32.23 3gqf s HIS 120 CO 0.00 0.48 1.71 1.49 -0.85 0.00 0.00 174.74 177.57 3gqf h GLU 121 N 1.70 0.10 0.00 1.40 4.81 0.35 -3.38 114.58 119.55 3gqf h GLU 121 Ca -0.44 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 3gqf h GLU 121 Cb 1.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3gqf h GLU 121 CO 0.62 0.07 -0.06 0.36 -0.73 0.00 0.00 179.01 179.26 3gqf n LYS 122 N -5.17 1.04 -2.22 1.92 2.85 0.74 -4.91 118.16 112.42 3gqf n LYS 122 Ca 0.01 -0.48 -0.41 0.00 -1.05 0.00 0.00 58.31 56.39 3gqf n LYS 122 Cb 0.17 0.24 -0.03 0.00 -0.65 0.00 0.00 35.03 34.76 3gqf n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gqf s ALA 123 N -2.15 3.47 0.04 0.58 0.00 -1.04 -1.12 121.76 121.54 3gqf s ALA 123 Ca 0.02 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 3gqf s ALA 123 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 3gqf s ALA 123 CO 0.02 -0.51 1.49 0.34 0.00 0.00 0.00 175.76 177.10 3gqf s ASP 124 N -0.58 6.76 0.00 0.00 -1.08 -1.26 -4.02 116.67 116.48 3gqf s ASP 124 Ca 0.48 2.27 0.31 0.00 -0.52 0.00 0.00 52.55 55.08 3gqf s ASP 124 Cb -0.38 -2.56 1.68 0.00 -1.46 0.00 0.00 42.92 40.20 3gqf s ASP 124 CO 0.49 -0.77 2.11 -0.90 0.52 0.00 0.00 175.17 176.62 3gqf n ASP 125 N 5.28 0.21 -2.38 -0.34 5.68 0.77 -4.90 116.55 120.88 3gqf n ASP 125 Ca 0.14 -0.87 -0.19 0.00 -0.50 0.00 0.00 54.79 53.37 3gqf n ASP 125 Cb 0.42 -0.06 0.01 0.00 -1.14 0.00 0.00 41.12 40.36 3gqf n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqf n LEU 126 N -0.91 -2.16 -0.09 -2.12 4.77 -1.26 -1.90 117.00 113.32 3gqf n LEU 126 Ca 0.21 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 3gqf n LEU 126 Cb 0.18 -2.70 -0.01 0.00 -2.33 0.00 0.00 43.42 38.56 3gqf n LEU 126 CO 0.19 -0.02 -0.01 0.61 -1.33 0.00 0.00 177.39 176.83 3gqf n GLY 127 N -1.20 0.49 1.05 -0.72 0.00 -1.22 -3.82 105.19 99.77 3gqf n GLY 127 Ca -0.17 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.64 3gqf n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqf n LYS 128 N -2.47 3.24 0.19 1.61 5.02 -0.80 -4.63 118.16 120.31 3gqf n LYS 128 Ca -0.01 -2.64 0.12 0.00 -2.02 0.00 0.00 58.31 53.76 3gqf n LYS 128 Cb 0.10 -1.71 0.23 0.00 -0.02 0.00 0.00 35.03 33.63 3gqf n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gqf h GLY 129 N 2.59 0.00 -0.62 0.72 0.00 -1.90 -3.48 103.07 100.39 3gqf h GLY 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3gqf h GLY 129 CO 0.17 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 177.19 3gqf n GLY 130 N 1.16 0.37 3.27 4.60 0.00 -1.26 -5.02 105.19 108.30 3gqf n GLY 130 Ca 0.04 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 3gqf n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqf s ASN 131 N -2.81 0.83 0.18 1.61 2.20 -1.26 -5.07 114.94 110.62 3gqf s ASN 131 Ca 0.00 -1.44 -0.12 0.00 -0.94 0.00 0.00 52.86 50.36 3gqf s ASN 131 Cb 0.00 0.33 0.09 0.00 -2.00 0.00 0.00 41.25 39.67 3gqf s ASN 131 CO 0.00 -0.83 1.78 -0.08 -2.94 0.00 0.00 177.10 175.03 3gqf h GLU 132 N 2.44 0.90 0.00 3.55 4.81 -2.01 -2.80 114.58 121.47 3gqf h GLU 132 Ca -0.35 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 3gqf h GLU 132 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3gqf h GLU 132 CO 0.54 0.70 -0.28 0.93 -0.73 0.00 0.00 179.01 180.17 3gqf h GLU 133 N 0.86 0.00 -0.68 1.92 4.39 -1.99 -2.89 114.58 116.19 3gqf h GLU 133 Ca 0.22 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.99 3gqf h GLU 133 Cb 0.09 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3gqf h GLU 133 CO -0.03 0.28 0.36 1.03 -1.16 0.00 0.00 179.01 179.49 3gqf h SER 134 N 0.00 0.51 -0.20 1.42 0.87 -1.84 0.36 113.55 114.68 3gqf h SER 134 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3gqf h SER 134 Cb 0.52 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3gqf h SER 134 CO 0.04 0.31 0.00 0.35 -0.53 0.00 0.00 176.83 177.00 3gqf n THR 135 N -4.82 0.25 -0.08 2.23 -2.24 -1.10 -2.13 114.28 106.39 3gqf n THR 135 Ca 0.09 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3gqf n THR 135 Cb 0.21 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 3gqf n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gqf n LYS 136 N 0.44 0.33 0.00 -0.78 5.02 -0.74 -0.97 118.16 121.46 3gqf n LYS 136 Ca 0.16 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3gqf n LYS 136 Cb 0.35 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3gqf n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gqf n THR 137 N -3.71 0.00 -0.87 -0.18 -2.24 0.12 -4.61 114.28 102.79 3gqf n THR 137 Ca -0.30 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3gqf n THR 137 Cb 0.71 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3gqf n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqf n GLY 138 N 1.30 0.67 3.63 3.38 0.00 -0.86 -4.41 105.19 108.89 3gqf n GLY 138 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3gqf n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqf n ASN 139 N 0.00 -2.45 -0.52 1.61 3.02 -1.26 -0.16 115.26 115.50 3gqf n ASN 139 Ca 0.00 -0.72 0.07 0.00 -0.03 0.00 0.00 54.58 53.90 3gqf n ASN 139 Cb 0.00 -4.49 0.26 0.00 -0.61 0.00 0.00 39.78 34.94 3gqf n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqf n ALA 140 N -4.36 2.49 -0.34 5.41 0.00 -1.26 -4.73 120.51 117.72 3gqf n ALA 140 Ca -0.22 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3gqf n ALA 140 Cb 0.64 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3gqf n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 141 N 1.03 -0.08 3.76 0.00 0.00 -1.26 -0.18 105.19 108.45 3gqf n GLY 141 Ca 0.13 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 3gqf n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqf s SER 142 N -4.00 5.11 -0.12 1.61 0.01 -1.26 -4.64 113.70 110.42 3gqf s SER 142 Ca 0.00 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.15 3gqf s SER 142 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 3gqf s SER 142 CO 0.00 -1.63 1.05 -0.13 0.41 0.00 0.00 173.24 172.94 3gqf s ARG 143 N -3.70 4.38 -0.19 12.44 0.52 -1.26 0.68 118.95 131.81 3gqf s ARG 143 Ca 0.72 1.44 0.05 0.00 -0.52 0.00 0.00 55.73 57.42 3gqf s ARG 143 Cb -0.25 -3.57 -0.22 0.00 0.52 0.00 0.00 34.95 31.44 3gqf s ARG 143 CO 0.37 -0.40 0.07 1.28 0.02 0.00 0.00 175.30 176.64 3gqf n LEU 144 N 5.30 1.97 -3.57 2.53 4.77 0.02 -4.89 117.00 123.12 3gqf n LEU 144 Ca 0.10 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 3gqf n LEU 144 Cb 0.48 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3gqf n LEU 144 CO 0.53 0.76 0.49 0.00 -1.33 0.00 0.00 177.39 177.83 3gqf s ALA 145 N -2.53 -1.81 0.25 -1.18 0.00 -1.20 -4.04 121.76 111.25 3gqf s ALA 145 Ca -0.23 1.63 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3gqf s ALA 145 Cb 0.08 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3gqf s ALA 145 CO 0.72 -0.34 0.45 0.00 0.00 0.00 0.00 175.76 176.58 3gqf s GLY 147 N -3.03 -0.32 0.03 0.00 0.00 -0.82 -1.06 107.32 102.13 3gqf s GLY 147 Ca 0.24 0.48 -0.21 0.00 0.00 0.00 0.00 44.72 45.23 3gqf s GLY 147 CO 0.09 0.12 0.63 0.14 0.00 0.00 0.00 173.10 174.08 3gqf s VAL 148 N -3.08 4.81 -0.26 1.40 1.01 -1.26 -1.51 120.40 121.50 3gqf s VAL 148 Ca 0.11 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 3gqf s VAL 148 Cb -0.00 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3gqf s VAL 148 CO -0.02 0.44 0.97 -0.63 0.00 0.00 0.00 175.10 175.87 3gqf s ILE 149 N -0.42 4.69 0.18 2.22 1.01 0.20 -4.53 121.20 124.55 3gqf s ILE 149 Ca 0.32 1.75 0.09 0.00 0.00 0.00 0.00 60.65 62.81 3gqf s ILE 149 Cb -0.19 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 3gqf s ILE 149 CO 0.19 -0.24 -0.12 -0.83 0.00 0.00 0.00 174.94 173.94 3gqf s GLY 150 N 1.39 1.73 0.19 6.18 0.00 -0.22 0.83 107.32 117.42 3gqf s GLY 150 Ca 0.41 -1.50 -0.32 0.00 0.00 0.00 0.00 44.72 43.31 3gqf s GLY 150 CO 0.09 -1.52 1.63 -0.42 0.00 0.00 0.00 173.10 172.88 3gqf s ILE 151 N -1.68 2.37 0.26 0.90 1.01 -1.26 -0.98 121.20 121.82 3gqf s ILE 151 Ca 0.24 0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.25 3gqf s ILE 151 Cb -0.09 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3gqf s ILE 151 CO 0.14 0.02 0.02 0.00 0.00 0.00 0.00 174.94 175.12 3gqf s ALA 152 N 1.10 3.22 -2.05 9.38 0.00 -0.66 -4.78 121.76 127.96 3gqf s ALA 152 Ca 0.71 -1.60 0.32 0.00 0.00 0.00 0.00 51.96 51.39 3gqf s ALA 152 Cb -0.46 -0.86 1.82 0.00 0.00 0.00 0.00 23.12 23.62 3gqf s ALA 152 CO 0.32 0.28 2.18 0.94 0.00 0.00 0.00 175.76 179.48