#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 0.24 0.04 0.00 2.01 -0.23 -5.03 115.64 112.67 3gqf s THR 2 Ca 0.00 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.14 3gqf s THR 2 Cb 0.00 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 3gqf s THR 2 CO 0.00 -0.42 -0.11 -0.54 -0.69 0.00 0.00 174.62 172.85 3gqf s LYS 3 N -1.38 0.74 0.15 4.92 1.02 -1.26 -1.50 119.74 122.43 3gqf s LYS 3 Ca -0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 3gqf s LYS 3 Cb -0.09 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 3gqf s LYS 3 CO -0.01 0.16 0.07 0.00 -0.92 0.00 0.00 175.35 174.66 3gqf s ALA 4 N -0.94 0.94 -0.01 5.17 0.00 -0.72 -1.41 121.76 124.79 3gqf s ALA 4 Ca -0.02 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.23 3gqf s ALA 4 Cb -0.08 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.08 3gqf s ALA 4 CO 0.01 -0.51 0.37 0.54 0.00 0.00 0.00 175.76 176.17 3gqf s VAL 5 N -4.08 0.05 -0.04 0.00 0.11 -0.25 -1.33 120.40 114.85 3gqf s VAL 5 Ca 0.28 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3gqf s VAL 5 Cb 0.07 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3gqf s VAL 5 CO 0.04 -0.22 0.09 0.00 -3.33 0.00 0.00 175.10 171.68 3gqf s VAL 7 N 1.17 5.28 -0.18 0.00 1.01 -1.26 -1.00 120.40 125.41 3gqf s VAL 7 Ca -0.09 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 3gqf s VAL 7 Cb -0.12 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3gqf s VAL 7 CO -0.05 0.11 0.56 -0.76 0.00 0.00 0.00 175.10 174.97 3gqf s LEU 8 N 1.79 4.17 0.02 3.92 2.01 0.44 -3.72 118.68 127.31 3gqf s LEU 8 Ca 0.08 0.77 -0.01 0.00 0.01 0.00 0.00 54.13 54.98 3gqf s LEU 8 Cb -0.17 -2.79 -0.02 0.00 0.01 0.00 0.00 46.19 43.23 3gqf s LEU 8 CO 0.11 -0.18 -0.01 -0.54 1.01 0.00 0.00 176.35 176.74 3gqf s LYS 9 N 1.55 0.29 0.00 1.70 1.02 -0.13 -1.93 119.74 122.23 3gqf s LYS 9 Ca 0.27 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.74 3gqf s LYS 9 Cb -0.16 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 3gqf s LYS 9 CO 0.10 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 3gqf n GLY 10 N 1.76 3.74 0.14 -3.33 0.00 -1.24 -1.66 105.19 104.60 3gqf n GLY 10 Ca -0.23 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.91 -3.47 116.42 115.97 3gqf h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3gqf n GLY 12 N 0.98 3.46 0.03 2.75 0.00 -1.26 -5.03 105.19 106.12 3gqf n GLY 12 Ca 0.04 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 0.28 -2.64 1.61 -0.04 -1.26 -4.88 135.00 128.07 3gqf n PRO 13 Ca 0.00 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 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 -2.77 4.66 -0.07 0.52 1.01 -1.26 -4.26 120.40 118.24 3gqf s VAL 14 Ca 0.21 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.95 3gqf s VAL 14 Cb 0.19 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3gqf s VAL 14 CO 0.53 -0.10 0.47 0.00 0.00 0.00 0.00 175.10 176.00 3gqf s GLN 15 N 2.71 0.77 0.23 2.72 -2.07 -1.00 -3.61 119.66 119.42 3gqf s GLN 15 Ca 0.47 0.16 -0.21 0.00 -1.82 0.00 0.00 55.36 53.96 3gqf s GLN 15 Cb -0.17 0.36 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 3gqf s GLN 15 CO 0.12 -0.20 0.98 0.20 -1.32 0.00 0.00 175.29 175.07 3gqf s GLY 16 N -0.91 0.15 -0.08 2.60 0.00 -0.81 -0.91 107.32 107.36 3gqf s GLY 16 Ca -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3gqf s GLY 16 CO 0.05 1.68 -0.07 -0.42 0.00 0.00 0.00 173.10 174.34 3gqf s ILE 17 N -2.27 0.86 -0.10 0.90 1.01 -0.81 -0.42 121.20 120.37 3gqf s ILE 17 Ca 0.20 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3gqf s ILE 17 Cb -0.03 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3gqf s ILE 17 CO 0.07 0.32 -0.21 -0.63 0.00 0.00 0.00 174.94 174.49 3gqf s ILE 18 N 1.20 1.83 0.03 2.92 -1.09 -0.17 -2.02 121.20 123.90 3gqf s ILE 18 Ca -0.05 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3gqf s ILE 18 Cb -0.14 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 3gqf s ILE 18 CO -0.02 0.51 0.08 0.20 -1.23 0.00 0.00 174.94 174.48 3gqf s ASN 19 N 0.56 5.61 0.00 3.58 -0.87 0.18 -0.72 114.94 123.28 3gqf s ASN 19 Ca -0.15 0.08 0.06 0.00 -1.57 0.00 0.00 52.86 51.29 3gqf s ASN 19 Cb -0.17 -1.57 -0.02 0.00 -0.02 0.00 0.00 41.25 39.48 3gqf s ASN 19 CO 0.05 0.23 -0.20 -0.36 -2.57 0.00 0.00 177.10 174.26 3gqf s PHE 20 N -1.27 1.74 -0.11 2.20 0.40 -0.44 -1.22 117.98 119.29 3gqf s PHE 20 Ca 0.25 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.20 3gqf s PHE 20 Cb -0.12 -1.10 0.05 0.00 0.51 0.00 0.00 43.02 42.37 3gqf s PHE 20 CO 0.17 0.00 0.23 -2.00 0.70 0.00 0.00 175.22 174.32 3gqf s GLU 21 N -0.66 0.14 -0.27 0.44 2.12 0.01 -1.75 118.70 118.73 3gqf s GLU 21 Ca 0.07 0.61 0.01 0.00 0.36 0.00 0.00 54.97 56.02 3gqf s GLU 21 Cb -0.08 -0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.24 3gqf s GLU 21 CO -0.00 -0.24 -0.08 -1.14 -0.54 0.00 0.00 175.26 173.26 3gqf s GLN 22 N 1.91 2.36 0.20 4.30 0.74 -0.56 -0.43 119.66 128.18 3gqf s GLN 22 Ca -0.03 -1.29 -0.07 0.00 0.05 0.00 0.00 55.36 54.03 3gqf s GLN 22 Cb -0.11 -2.97 0.12 0.00 1.10 0.00 0.00 33.01 31.15 3gqf s GLN 22 CO -0.08 -0.56 1.63 0.87 -0.55 0.00 0.00 175.29 176.60 3gqf h LYS 23 N 7.86 0.94 -4.93 1.67 1.57 -1.83 -0.58 116.57 121.26 3gqf h LYS 23 Ca -0.21 -0.34 -0.36 0.00 -1.87 0.00 0.00 60.65 57.87 3gqf h LYS 23 Cb 1.05 -0.06 -0.23 0.00 0.08 0.00 0.00 32.23 33.07 3gqf h LYS 23 CO 0.49 1.00 -0.76 -1.21 -0.57 0.00 0.00 179.45 178.40 3gqf s GLU 24 N -4.81 0.69 0.33 3.15 2.02 -1.26 -3.43 118.70 115.39 3gqf s GLU 24 Ca -0.11 -0.75 -0.29 0.00 0.02 0.00 0.00 54.97 53.84 3gqf s GLU 24 Cb 0.13 -0.61 -0.11 0.00 0.10 0.00 0.00 34.13 33.65 3gqf s GLU 24 CO 0.85 0.14 1.49 -1.54 0.02 0.00 0.00 175.26 176.21 3gqf s SER 25 N -1.37 6.46 0.00 -0.19 1.04 -1.26 -1.02 113.70 117.36 3gqf s SER 25 Ca -0.04 2.91 0.00 0.00 0.48 0.00 0.00 55.95 59.30 3gqf s SER 25 Cb -0.09 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3gqf s SER 25 CO 0.01 -0.81 0.00 -3.20 0.98 0.00 0.00 173.24 170.22 3gqf n ASN 26 N 1.30 -0.27 -3.60 7.02 5.15 -1.26 -4.97 115.26 118.62 3gqf n ASN 26 Ca 0.04 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.73 3gqf n ASN 26 Cb 0.39 -2.46 0.23 0.00 -0.53 0.00 0.00 39.78 37.41 3gqf n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gqf n GLY 27 N -1.76 -2.37 3.77 8.20 0.00 -0.19 -5.00 105.19 107.84 3gqf n GLY 27 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3gqf n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqf s PRO 28 N -5.49 4.25 -0.21 1.61 0.04 -1.26 -4.80 135.00 129.15 3gqf s PRO 28 Ca 0.69 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.96 3gqf s PRO 28 Cb -0.05 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3gqf s PRO 28 CO 0.51 -0.35 0.28 0.08 0.04 0.00 0.00 177.00 177.56 3gqf s VAL 29 N -0.95 5.29 -0.22 -0.36 1.01 0.17 -4.36 120.40 120.99 3gqf s VAL 29 Ca 0.52 0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 3gqf s VAL 29 Cb -0.43 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3gqf s VAL 29 CO 0.55 0.32 0.64 -0.75 0.00 0.00 0.00 175.10 175.86 3gqf s LYS 30 N 1.00 4.17 -0.15 2.72 2.20 0.43 -0.93 119.74 129.19 3gqf s LYS 30 Ca 0.14 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 3gqf s LYS 30 Cb -0.14 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.58 3gqf s LYS 30 CO 0.05 -0.32 -0.20 0.54 -0.36 0.00 0.00 175.35 175.06 3gqf s VAL 31 N 2.18 2.20 -0.01 4.02 0.11 0.53 -0.81 120.40 128.61 3gqf s VAL 31 Ca 0.28 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 58.22 3gqf s VAL 31 Cb -0.16 -1.89 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 3gqf s VAL 31 CO 0.09 0.54 0.38 -1.66 -3.33 0.00 0.00 175.10 171.13 3gqf s TRP 32 N 0.85 -0.27 -3.46 1.54 -2.14 -0.35 -0.02 118.94 115.08 3gqf s TRP 32 Ca -0.06 0.41 0.00 0.00 2.66 0.00 0.00 56.10 59.11 3gqf s TRP 32 Cb -0.15 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.38 3gqf s TRP 32 CO -0.02 -0.45 0.00 0.41 -2.66 0.00 0.00 176.95 174.23 3gqf n GLY 33 N 1.13 -0.53 2.95 3.67 0.00 -0.86 0.49 105.19 112.04 3gqf n GLY 33 Ca -0.21 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.09 -0.05 1.61 0.15 -0.86 -0.83 113.70 109.63 3gqf s SER 34 Ca 0.00 0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.87 3gqf s SER 34 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3gqf s SER 34 CO 0.00 -0.04 -0.16 -0.63 1.20 0.00 0.00 173.24 173.61 3gqf s ILE 35 N 0.15 1.39 0.38 6.45 1.01 0.10 -1.92 121.20 128.76 3gqf s ILE 35 Ca -0.01 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.05 3gqf s ILE 35 Cb -0.02 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.17 3gqf s ILE 35 CO -0.00 0.41 -0.03 -1.59 0.00 0.00 0.00 174.94 173.73 3gqf s LYS 36 N 0.24 1.90 0.00 2.79 -2.85 -0.09 0.15 119.74 121.89 3gqf s LYS 36 Ca -0.08 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.84 3gqf s LYS 36 Cb -0.13 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 3gqf s LYS 36 CO 0.03 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.90 3gqf n GLY 37 N -0.90 0.51 3.92 0.59 0.00 -1.06 -2.36 105.19 105.89 3gqf n GLY 37 Ca -0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 3gqf n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 38 N 0.00 4.22 0.44 0.99 1.02 -0.77 -4.24 118.68 120.34 3gqf s LEU 38 Ca 0.00 0.48 -0.23 0.00 0.02 0.00 0.00 54.13 54.40 3gqf s LEU 38 Cb 0.00 -3.24 -0.08 0.00 0.02 0.00 0.00 46.19 42.89 3gqf s LEU 38 CO 0.00 -0.03 1.09 0.42 0.02 0.00 0.00 176.35 177.85 3gqf s THR 39 N -1.82 3.52 0.24 5.49 -4.23 -1.26 -4.05 115.64 113.52 3gqf s THR 39 Ca 0.40 1.10 -0.31 0.00 -1.18 0.00 0.00 61.69 61.70 3gqf s THR 39 Cb -0.11 -3.54 -0.14 0.00 1.34 0.00 0.00 72.50 70.05 3gqf s THR 39 CO 0.28 -0.06 1.22 1.21 -0.54 0.00 0.00 174.62 176.74 3gqf n GLU 40 N -0.44 1.59 0.00 3.99 2.13 -1.26 -4.56 120.64 122.10 3gqf n GLU 40 Ca 0.07 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3gqf n GLU 40 Cb 0.50 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 1.78 0.28 3.79 8.31 0.00 -0.48 -4.92 105.19 113.96 3gqf n GLY 41 Ca 0.12 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 4.47 -0.04 0.99 1.43 -1.26 -0.73 118.68 123.54 3gqf s LEU 42 Ca 0.00 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3gqf s LEU 42 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.77 3gqf s LEU 42 CO 0.00 0.11 -0.01 -1.00 0.23 0.00 0.00 176.35 175.68 3gqf s HIS 43 N -1.34 0.44 0.34 0.29 3.76 0.04 -2.88 115.29 115.94 3gqf s HIS 43 Ca 0.40 -0.06 -0.27 0.00 -0.15 0.00 0.00 55.06 54.98 3gqf s HIS 43 Cb -0.20 -0.50 -0.12 0.00 1.11 0.00 0.00 32.58 32.86 3gqf s HIS 43 CO 0.24 -0.16 1.15 0.41 -0.85 0.00 0.00 174.74 175.52 3gqf n GLY 44 N 4.22 0.17 2.84 -2.22 0.00 -0.12 -0.97 105.19 109.09 3gqf n GLY 44 Ca -0.24 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.12 -0.51 0.22 1.61 5.36 -0.31 -0.59 117.98 122.65 3gqf s PHE 45 Ca 0.58 0.52 -0.14 0.00 -0.96 0.00 0.00 56.93 56.93 3gqf s PHE 45 Cb -0.61 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.89 3gqf s PHE 45 CO 0.60 -0.64 0.46 -0.98 -1.46 0.00 0.00 175.22 173.21 3gqf s ARG 46 N 2.42 1.43 -0.24 10.12 3.03 -0.81 -2.49 118.95 132.40 3gqf s ARG 46 Ca 0.09 -1.12 -0.07 0.00 2.03 0.00 0.00 55.73 56.66 3gqf s ARG 46 Cb -0.15 0.47 -0.03 0.00 -1.03 0.00 0.00 34.95 34.20 3gqf s ARG 46 CO -0.13 -0.59 0.07 0.08 -1.13 0.00 0.00 175.30 173.60 3gqf s VAL 47 N -3.96 4.39 0.39 4.99 1.01 0.31 -1.09 120.40 126.42 3gqf s VAL 47 Ca 0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 3gqf s VAL 47 Cb -0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3gqf s VAL 47 CO 0.04 0.35 0.69 -1.10 0.00 0.00 0.00 175.10 175.07 3gqf s GLN 48 N 1.47 3.64 0.24 2.72 -0.21 0.89 -0.57 119.66 127.84 3gqf s GLN 48 Ca 0.06 0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.54 3gqf s GLN 48 Cb -0.15 -2.49 0.25 0.00 1.00 0.00 0.00 33.01 31.62 3gqf s GLN 48 CO 0.04 0.01 1.88 1.49 -2.12 0.00 0.00 175.29 176.59 3gqf h GLU 49 N 1.03 1.25 -6.35 2.91 4.81 -0.63 -2.99 114.58 114.61 3gqf h GLU 49 Ca -0.48 -0.12 -0.68 0.00 -0.13 0.00 0.00 59.36 57.95 3gqf h GLU 49 Cb 1.20 -0.26 -0.20 0.00 0.63 0.00 0.00 28.75 30.12 3gqf h GLU 49 CO 0.64 0.89 -0.75 -0.06 -0.73 0.00 0.00 179.01 179.00 3gqf s PHE 50 N -5.90 2.76 -0.36 0.92 0.08 -0.32 -4.72 117.98 110.43 3gqf s PHE 50 Ca -0.13 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 3gqf s PHE 50 Cb 0.17 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3gqf s PHE 50 CO 0.82 0.28 2.89 0.41 -0.10 0.00 0.00 175.22 179.53 3gqf n GLY 51 N 1.87 4.08 3.23 4.36 0.00 -0.90 -3.22 105.19 114.61 3gqf n GLY 51 Ca -0.16 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 0.65 5.14 -0.11 1.61 -1.08 -1.26 -4.93 116.67 116.69 3gqf s ASP 52 Ca 0.59 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.56 3gqf s ASP 52 Cb 0.36 -1.80 0.44 0.00 -1.46 0.00 0.00 42.92 40.46 3gqf s ASP 52 CO -0.17 -0.30 1.36 -3.20 0.52 0.00 0.00 175.17 173.37 3gqf n ASN 53 N 4.73 3.52 -0.11 -0.34 2.85 -1.26 -2.52 115.26 122.13 3gqf n ASN 53 Ca -0.13 -2.62 -0.00 0.00 -0.11 0.00 0.00 54.58 51.72 3gqf n ASN 53 Cb 0.44 -0.42 0.27 0.00 1.24 0.00 0.00 39.78 41.31 3gqf n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3gqf h THR 54 N 1.89 1.19 -1.48 -0.44 1.35 -1.92 -2.42 112.91 111.08 3gqf h THR 54 Ca 0.00 -0.55 -0.63 0.00 -0.55 0.00 0.00 66.41 64.68 3gqf h THR 54 Cb 1.17 0.50 -0.38 0.00 -1.73 0.00 0.00 68.15 67.71 3gqf h THR 54 CO 0.14 0.22 -0.25 0.00 -0.25 0.00 0.00 175.52 175.38 3gqf n ALA 55 N -2.45 5.46 -0.65 6.62 0.00 -1.26 -5.07 120.51 123.16 3gqf n ALA 55 Ca 0.05 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.34 3gqf n ALA 55 Cb 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.55 0.58 0.02 0.00 0.00 -0.91 -3.66 105.19 100.66 3gqf n GLY 56 Ca 0.45 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 1.28 -0.00 0.00 1.35 -1.90 -3.27 112.91 110.37 3gqf h THR 58 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3gqf h THR 58 Cb 0.44 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3gqf h THR 58 CO 0.00 0.40 -0.01 -1.54 -0.25 0.00 0.00 175.52 174.12 3gqf n SER 59 N -4.03 0.07 0.00 5.36 3.41 -1.23 -3.86 113.62 113.35 3gqf n SER 59 Ca -0.02 -0.75 0.14 0.00 -0.26 0.00 0.00 58.87 57.98 3gqf n SER 59 Cb 0.44 -0.08 0.66 0.00 -0.26 0.00 0.00 64.21 64.97 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 -1.04 2.36 0.00 7.33 0.00 -1.05 -4.60 120.51 123.52 3gqf n ALA 60 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gqf n ALA 60 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.34 -0.84 3.93 0.00 0.00 -1.25 -1.18 105.19 107.19 3gqf n GLY 61 Ca 0.10 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 2.10 0.47 1.61 0.04 -1.26 -4.72 135.00 133.24 3gqf s PRO 62 Ca 0.00 -0.24 -0.23 0.00 0.04 0.00 0.00 61.00 60.57 3gqf s PRO 62 Cb 0.00 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3gqf s PRO 62 CO 0.00 -1.33 1.08 0.72 0.04 0.00 0.00 177.00 177.51 3gqf n HIS 63 N -3.00 1.37 -1.69 0.56 8.25 -1.26 -0.36 115.22 119.09 3gqf n HIS 63 Ca 0.08 0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 3gqf n HIS 63 Cb 0.60 -2.25 -0.03 0.00 1.12 0.00 0.00 29.99 29.44 3gqf n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3gqf s PHE 64 N -1.32 1.32 -0.41 4.41 5.36 0.26 -4.41 117.98 123.19 3gqf s PHE 64 Ca 0.66 -0.12 0.09 0.00 -0.96 0.00 0.00 56.93 56.60 3gqf s PHE 64 Cb -0.50 -4.13 0.31 0.00 -0.34 0.00 0.00 43.02 38.35 3gqf s PHE 64 CO 0.54 -4.98 0.77 -1.71 -1.46 0.00 0.00 175.22 168.39 3gqf n ASN 65 N 8.68 -0.38 0.26 6.13 5.15 -1.26 -1.32 115.26 132.52 3gqf n ASN 65 Ca 0.22 -3.10 0.14 0.00 -0.60 0.00 0.00 54.58 51.25 3gqf n ASN 65 Cb 0.42 0.15 0.70 0.00 -0.53 0.00 0.00 39.78 40.52 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 3.37 0.00 -0.33 1.20 0.13 -1.93 -2.58 132.00 131.86 3gqf h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3gqf h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3gqf h PRO 66 CO 0.40 0.11 0.00 1.28 -0.23 0.00 0.00 178.00 179.56 3gqf n LEU 67 N -3.41 2.45 -3.61 1.56 4.77 -1.26 -4.97 117.00 112.53 3gqf n LEU 67 Ca -0.01 -1.10 -0.21 0.00 -0.03 0.00 0.00 56.01 54.65 3gqf n LEU 67 Cb 0.28 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3gqf n LEU 67 CO 0.29 0.55 0.07 -1.20 -1.33 0.00 0.00 177.39 175.78 3gqf n SER 68 N 0.84 -2.78 -5.00 -1.43 7.64 -0.97 -5.00 113.62 106.92 3gqf n SER 68 Ca 0.17 -0.70 -0.21 0.00 1.01 0.00 0.00 58.87 59.14 3gqf n SER 68 Cb 0.43 -4.59 0.04 0.00 -1.01 0.00 0.00 64.21 59.08 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 -5.89 2.33 0.34 1.43 1.81 -1.26 -5.12 118.95 112.60 3gqf s ARG 69 Ca 0.18 -1.70 -0.05 0.00 -1.72 0.00 0.00 55.73 52.44 3gqf s ARG 69 Cb -0.08 -2.52 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 3gqf s ARG 69 CO 0.77 -0.75 0.62 0.15 -0.68 0.00 0.00 175.30 175.41 3gqf s LYS 70 N -4.55 3.63 0.28 3.54 1.02 -1.26 -4.77 119.74 117.63 3gqf s LYS 70 Ca 0.55 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.30 3gqf s LYS 70 Cb -0.05 -2.57 -0.12 0.00 -0.52 0.00 0.00 37.83 34.57 3gqf s LYS 70 CO 0.34 0.11 1.55 1.58 -0.92 0.00 0.00 175.35 178.02 3gqf n HIS 71 N -1.27 2.70 -3.73 3.18 -0.00 -0.75 -2.77 115.22 112.58 3gqf n HIS 71 Ca -0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 3gqf n HIS 71 Cb 0.54 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 3gqf n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gqf n GLY 72 N 2.14 3.75 3.92 1.57 0.00 -1.23 -4.34 105.19 111.00 3gqf n GLY 72 Ca 0.09 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.91 1.57 0.45 -0.02 0.00 -1.23 -4.68 107.32 102.49 3gqf s GLY 73 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 44.72 44.10 3gqf s GLY 73 CO 0.00 -0.52 2.03 -0.56 0.00 0.00 0.00 173.10 174.05 3gqf h PRO 74 N 0.05 0.13 0.00 2.90 0.13 -1.88 -2.19 132.00 131.13 3gqf h PRO 74 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gqf h PRO 74 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gqf h PRO 74 CO 0.60 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 180.20 3gqf n LYS 75 N -4.40 0.13 -3.00 0.86 5.02 -1.26 -4.86 118.16 110.65 3gqf n LYS 75 Ca -0.02 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 3gqf n LYS 75 Cb 0.18 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 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 -3.81 6.93 0.08 4.39 1.01 -0.82 -5.00 116.67 119.45 3gqf s ASP 76 Ca 0.09 1.48 -0.15 0.00 0.71 0.00 0.00 52.55 54.68 3gqf s ASP 76 Cb 0.13 -2.45 -0.13 0.00 1.01 0.00 0.00 42.92 41.48 3gqf s ASP 76 CO 0.47 -0.20 1.34 -0.08 0.21 0.00 0.00 175.17 176.91 3gqf h GLU 77 N 2.44 0.68 -6.19 8.23 4.57 -1.89 -3.38 114.58 119.04 3gqf h GLU 77 Ca -0.48 -0.45 -0.52 0.00 -1.18 0.00 0.00 59.36 56.73 3gqf h GLU 77 Cb 1.18 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.77 3gqf h GLU 77 CO 0.64 1.07 1.18 -1.21 -1.18 0.00 0.00 179.01 179.51 3gqf s GLU 78 N -4.03 2.99 0.14 1.92 0.41 -1.26 -4.93 118.70 113.94 3gqf s GLU 78 Ca -0.12 0.00 -0.24 0.00 -0.41 0.00 0.00 54.97 54.21 3gqf s GLU 78 Cb 0.08 -4.35 0.07 0.00 -1.78 0.00 0.00 34.13 28.15 3gqf s GLU 78 CO 0.85 -2.40 0.62 -0.98 -0.49 0.00 0.00 175.26 172.86 3gqf s ARG 79 N 6.20 1.24 0.50 1.61 1.70 -1.12 -3.58 118.95 125.50 3gqf s ARG 79 Ca 0.48 -0.41 -0.19 0.00 -0.47 0.00 0.00 55.73 55.14 3gqf s ARG 79 Cb -0.09 0.57 -0.08 0.00 -0.57 0.00 0.00 34.95 34.78 3gqf s ARG 79 CO 0.15 -0.53 1.01 -1.01 -1.08 0.00 0.00 175.30 173.84 3gqf s HIS 80 N -3.54 3.15 0.25 5.89 3.76 -1.20 -4.64 115.29 118.96 3gqf s HIS 80 Ca 0.00 1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 56.44 3gqf s HIS 80 Cb -0.01 -2.96 0.45 0.00 1.11 0.00 0.00 32.58 31.17 3gqf s HIS 80 CO -0.11 -0.65 1.80 0.28 -0.85 0.00 0.00 174.74 175.21 3gqf h VAL 81 N 1.30 0.86 0.00 -0.90 2.07 -1.82 -2.22 116.25 115.53 3gqf h VAL 81 Ca -0.48 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3gqf h VAL 81 Cb 1.20 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3gqf h VAL 81 CO 0.60 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3gqf n GLY 82 N -1.32 -0.88 3.56 2.17 0.00 -0.44 -4.33 105.19 103.95 3gqf n GLY 82 Ca 0.15 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.35 5.92 -0.06 1.61 1.01 -0.84 -0.53 116.67 121.44 3gqf s ASP 83 Ca 0.26 0.15 0.15 0.00 0.71 0.00 0.00 52.55 53.81 3gqf s ASP 83 Cb 0.15 -2.54 0.47 0.00 1.01 0.00 0.00 42.92 42.00 3gqf s ASP 83 CO 0.30 -1.90 1.39 0.18 0.21 0.00 0.00 175.17 175.35 3gqf n LEU 84 N 10.31 3.59 0.00 1.23 4.77 -1.04 -4.02 117.00 131.84 3gqf n LEU 84 Ca 0.12 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3gqf n LEU 84 Cb 0.50 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3gqf n LEU 84 CO 0.71 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 3gqf n GLY 85 N 0.57 1.04 3.51 -0.72 0.00 -1.16 -4.83 105.19 103.60 3gqf n GLY 85 Ca 0.18 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 3.89 0.34 1.61 0.01 -1.26 -1.16 114.94 114.36 3gqf s ASN 86 Ca 0.00 -0.72 0.08 0.00 -0.71 0.00 0.00 52.86 51.51 3gqf s ASN 86 Cb 0.00 -0.51 -0.04 0.00 0.41 0.00 0.00 41.25 41.11 3gqf s ASN 86 CO 0.00 0.10 0.11 0.68 -1.51 0.00 0.00 177.10 176.48 3gqf s VAL 87 N -1.75 2.97 -0.15 1.60 -7.23 -0.14 -4.92 120.40 110.78 3gqf s VAL 87 Ca 0.24 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3gqf s VAL 87 Cb -0.08 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.94 3gqf s VAL 87 CO 0.13 -0.20 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.70 3gqf s THR 88 N -2.44 1.54 -0.06 5.32 2.01 -1.26 -0.78 115.64 119.97 3gqf s THR 88 Ca 0.37 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.56 3gqf s THR 88 Cb -0.02 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 3gqf s THR 88 CO 0.22 0.45 0.57 0.00 -0.69 0.00 0.00 174.62 175.17 3gqf s ALA 89 N 1.50 3.46 1.03 7.40 0.00 0.09 -4.13 121.76 131.11 3gqf s ALA 89 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3gqf s ALA 89 Cb -0.13 -2.74 0.06 0.00 0.00 0.00 0.00 23.12 20.32 3gqf s ALA 89 CO -0.11 0.07 0.27 -0.40 0.00 0.00 0.00 175.76 175.60 3gqf n ASP 90 N 3.22 -0.69 0.29 0.00 5.68 -0.11 -1.39 116.55 123.55 3gqf n ASP 90 Ca -0.06 -0.85 0.19 0.00 -0.50 0.00 0.00 54.79 53.56 3gqf n ASP 90 Cb 0.51 -0.23 0.84 0.00 -1.14 0.00 0.00 41.12 41.10 3gqf n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gqf h LYS 91 N 0.00 0.00 -0.01 0.11 2.10 -1.97 -1.40 116.57 115.40 3gqf h LYS 91 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 3gqf h LYS 91 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3gqf h LYS 91 CO 0.06 0.01 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.15 3gqf n ASP 92 N -3.11 1.08 0.00 7.07 8.00 -1.26 -4.86 116.55 123.46 3gqf n ASP 92 Ca -0.01 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3gqf n ASP 92 Cb 0.24 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.25 0.70 3.48 0.44 0.00 -0.53 -4.72 105.19 105.82 3gqf n GLY 93 Ca 0.16 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 4.26 -0.32 1.61 1.01 -1.26 -1.85 120.40 121.86 3gqf s VAL 94 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3gqf s VAL 94 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3gqf s VAL 94 CO 0.00 0.40 0.20 0.00 0.00 0.00 0.00 175.10 175.70 3gqf s ALA 95 N 1.12 3.43 -0.80 5.51 0.00 0.12 -0.94 121.76 130.21 3gqf s ALA 95 Ca 0.04 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 3gqf s ALA 95 Cb -0.14 -2.53 0.15 0.00 0.00 0.00 0.00 23.12 20.60 3gqf s ALA 95 CO 0.03 -0.87 0.89 -0.51 0.00 0.00 0.00 175.76 175.30 3gqf s ASP 96 N 1.69 6.55 0.13 0.00 1.11 -1.26 -0.72 116.67 124.18 3gqf s ASP 96 Ca 0.06 -2.09 -0.31 0.00 0.18 0.00 0.00 52.55 50.39 3gqf s ASP 96 Cb -0.17 -2.31 -0.07 0.00 1.07 0.00 0.00 42.92 41.44 3gqf s ASP 96 CO 0.09 -0.91 1.27 -0.69 1.18 0.00 0.00 175.17 176.11 3gqf s VAL 97 N 1.84 3.57 -0.26 -1.27 1.01 -0.01 -4.92 120.40 120.36 3gqf s VAL 97 Ca 0.22 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 3gqf s VAL 97 Cb -0.12 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.63 3gqf s VAL 97 CO -0.05 0.13 0.36 -0.55 0.00 0.00 0.00 175.10 175.00 3gqf s SER 98 N 0.72 0.60 0.03 3.32 0.15 -1.25 -2.02 113.70 115.25 3gqf s SER 98 Ca 0.59 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 57.12 3gqf s SER 98 Cb -0.33 0.96 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 3gqf s SER 98 CO 0.33 -0.33 -0.16 -0.63 1.20 0.00 0.00 173.24 173.65 3gqf s ILE 99 N 2.50 1.24 -0.11 6.45 1.01 0.97 -5.00 121.20 128.26 3gqf s ILE 99 Ca 0.11 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3gqf s ILE 99 Cb -0.14 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.23 3gqf s ILE 99 CO -0.23 0.11 -0.23 -0.70 0.00 0.00 0.00 174.94 173.89 3gqf s GLU 100 N -1.00 2.97 -0.01 2.79 2.12 -1.26 -0.35 118.70 123.96 3gqf s GLU 100 Ca 0.04 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3gqf s GLU 100 Cb -0.08 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 32.04 3gqf s GLU 100 CO 0.01 0.12 0.01 0.34 -0.54 0.00 0.00 175.26 175.20 3gqf s ASP 101 N 0.48 0.04 0.00 -1.70 2.15 -0.10 -4.96 116.67 112.58 3gqf s ASP 101 Ca -0.16 0.01 0.11 0.00 0.43 0.00 0.00 52.55 52.94 3gqf s ASP 101 Cb -0.17 -0.02 0.16 0.00 -0.30 0.00 0.00 42.92 42.59 3gqf s ASP 101 CO 0.06 -0.03 0.99 -1.20 -0.17 0.00 0.00 175.17 174.81 3gqf n SER 102 N 3.36 2.26 -0.09 -0.34 7.64 -1.26 0.46 113.62 125.66 3gqf n SER 102 Ca -0.16 -1.64 -0.23 0.00 1.01 0.00 0.00 58.87 57.85 3gqf n SER 102 Cb 0.57 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.60 1.59 -1.01 0.44 0.31 -1.26 -4.85 118.33 114.14 3gqf n VAL 103 Ca 0.08 -0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 3gqf n VAL 103 Cb 0.33 -1.92 0.13 0.00 -0.91 0.00 0.00 33.84 31.46 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 -2.43 2.75 0.11 2.52 -4.36 -1.26 -4.87 121.20 113.66 3gqf s ILE 104 Ca -0.29 0.24 -0.10 0.00 -0.26 0.00 0.00 60.65 60.24 3gqf s ILE 104 Cb 0.07 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3gqf s ILE 104 CO 0.62 -0.32 0.24 -0.55 0.24 0.00 0.00 174.94 175.17 3gqf s SER 105 N -3.09 0.05 -0.08 4.36 0.15 -0.89 -4.64 113.70 109.56 3gqf s SER 105 Ca 0.64 -0.64 0.18 0.00 0.70 0.00 0.00 55.95 56.82 3gqf s SER 105 Cb -0.20 0.38 0.64 0.00 -1.71 0.00 0.00 66.02 65.14 3gqf s SER 105 CO 0.57 -0.79 1.55 0.18 1.20 0.00 0.00 173.24 175.96 3gqf n LEU 106 N -0.12 4.32 -3.91 3.45 4.77 -1.26 -1.15 117.00 123.10 3gqf n LEU 106 Ca -0.14 -2.34 -0.08 0.00 -0.03 0.00 0.00 56.01 53.43 3gqf n LEU 106 Cb 0.63 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3gqf n LEU 106 CO 0.22 0.83 0.37 -0.94 -1.33 0.00 0.00 177.39 176.54 3gqf s SER 107 N -1.01 -0.20 0.29 -1.43 1.04 -1.26 -4.86 113.70 106.27 3gqf s SER 107 Ca 0.47 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3gqf s SER 107 Cb 0.29 0.68 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3gqf s SER 107 CO 0.24 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3gqf n GLY 108 N -0.43 0.38 0.10 7.32 0.00 -1.26 -3.45 105.19 107.84 3gqf n GLY 108 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.10 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 8.63 0.00 -0.54 1.61 5.19 -2.01 -3.22 116.42 126.08 3gqf h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gqf h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3gqf h ASP 109 CO 0.00 0.49 0.00 1.41 -3.12 0.00 0.00 179.24 178.02 3gqf n HIS 110 N -2.91 1.27 -1.73 4.55 8.25 -1.26 -4.98 115.22 118.41 3gqf n HIS 110 Ca -0.07 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.47 3gqf n HIS 110 Cb 0.79 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 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 2.98 0.00 -1.82 0.00 -5.35 -0.30 -4.91 119.36 109.96 3gqf n ILE 112 Ca 0.12 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 3gqf n ILE 112 Cb 0.36 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.39 2.38 0.00 7.28 1.01 -1.26 -1.83 121.20 127.39 3gqf s ILE 113 Ca 0.15 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3gqf s ILE 113 Cb 0.12 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3gqf s ILE 113 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3gqf n GLY 114 N 3.93 0.74 3.88 6.18 0.00 0.76 -5.00 105.19 115.68 3gqf n GLY 114 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.41 2.33 -0.19 1.61 0.52 -0.76 -2.11 118.95 119.94 3gqf s ARG 115 Ca 0.00 -1.84 -0.08 0.00 -0.52 0.00 0.00 55.73 53.29 3gqf s ARG 115 Cb 0.00 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 3gqf s ARG 115 CO 0.00 -0.44 0.08 0.99 0.02 0.00 0.00 175.30 175.95 3gqf s THR 116 N -2.66 4.94 -0.06 0.02 2.01 -1.13 -0.40 115.64 118.36 3gqf s THR 116 Ca 0.40 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.27 3gqf s THR 116 Cb -0.02 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 3gqf s THR 116 CO 0.24 0.46 0.39 -0.22 -0.69 0.00 0.00 174.62 174.80 3gqf s LEU 117 N 0.35 4.39 0.00 4.42 2.96 -0.35 -0.07 118.68 130.39 3gqf s LEU 117 Ca 0.04 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3gqf s LEU 117 Cb -0.12 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.01 3gqf s LEU 117 CO -0.00 0.23 -0.02 0.54 -1.32 0.00 0.00 176.35 175.77 3gqf s VAL 118 N -0.47 0.14 -0.03 1.68 0.11 -0.25 -2.07 120.40 119.50 3gqf s VAL 118 Ca 0.23 -0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 3gqf s VAL 118 Cb -0.16 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 3gqf s VAL 118 CO 0.11 -0.04 -0.13 0.54 -3.33 0.00 0.00 175.10 172.25 3gqf s VAL 119 N -0.26 3.20 0.35 2.04 0.11 -0.61 -1.93 120.40 123.30 3gqf s VAL 119 Ca -0.02 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.33 3gqf s VAL 119 Cb -0.02 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 3gqf s VAL 119 CO -0.00 0.51 0.19 -1.00 -3.33 0.00 0.00 175.10 171.47 3gqf s HIS 120 N -0.82 2.73 0.20 1.54 3.76 0.25 -0.92 115.29 122.02 3gqf s HIS 120 Ca 0.13 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 3gqf s HIS 120 Cb -0.11 -1.73 0.13 0.00 1.11 0.00 0.00 32.58 31.98 3gqf s HIS 120 CO 0.03 0.27 1.86 1.49 -0.85 0.00 0.00 174.74 177.54 3gqf h GLU 121 N 1.45 0.92 -5.23 1.40 4.81 -0.34 -3.39 114.58 114.20 3gqf h GLU 121 Ca -0.44 -0.06 -0.56 0.00 -0.13 0.00 0.00 59.36 58.18 3gqf h GLU 121 Cb 1.25 -0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 3gqf h GLU 121 CO 0.63 0.62 -0.56 0.15 -0.73 0.00 0.00 179.01 179.11 3gqf s LYS 122 N -6.11 1.87 0.41 1.92 1.02 0.16 -4.91 119.74 114.11 3gqf s LYS 122 Ca -0.13 -2.11 -0.26 0.00 0.02 0.00 0.00 55.97 53.49 3gqf s LYS 122 Cb 0.14 -1.02 -0.09 0.00 -0.52 0.00 0.00 37.83 36.35 3gqf s LYS 122 CO 0.77 -0.28 1.32 0.00 -0.92 0.00 0.00 175.35 176.24 3gqf s ALA 123 N -3.11 3.26 0.01 5.17 0.00 -1.14 -0.95 121.76 125.00 3gqf s ALA 123 Ca 0.27 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3gqf s ALA 123 Cb 0.06 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 3gqf s ALA 123 CO 0.13 -0.89 1.44 0.34 0.00 0.00 0.00 175.76 176.78 3gqf s ASP 124 N -0.70 6.81 0.00 0.00 -1.08 -1.26 -4.01 116.67 116.43 3gqf s ASP 124 Ca 0.58 2.17 0.31 0.00 -0.52 0.00 0.00 52.55 55.09 3gqf s ASP 124 Cb -0.39 -2.56 1.65 0.00 -1.46 0.00 0.00 42.92 40.16 3gqf s ASP 124 CO 0.50 -0.74 2.09 -0.90 0.52 0.00 0.00 175.17 176.64 3gqf n ASP 125 N 5.34 0.29 -1.81 -0.34 5.68 0.88 -4.91 116.55 121.68 3gqf n ASP 125 Ca 0.13 -0.93 -0.17 0.00 -0.50 0.00 0.00 54.79 53.33 3gqf n ASP 125 Cb 0.43 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.84 -1.68 0.00 -2.12 4.77 -1.26 -1.84 117.00 114.02 3gqf n LEU 126 Ca 0.21 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3gqf n LEU 126 Cb 0.18 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 3gqf n LEU 126 CO 0.19 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 3gqf n GLY 127 N -1.00 0.69 1.50 -0.72 0.00 -1.24 -3.58 105.19 100.84 3gqf n GLY 127 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.57 4.04 0.02 1.61 5.02 -0.77 -4.57 118.16 120.95 3gqf n LYS 128 Ca 0.00 -3.04 0.13 0.00 -2.02 0.00 0.00 58.31 53.37 3gqf n LYS 128 Cb 0.00 -2.10 0.33 0.00 -0.02 0.00 0.00 35.03 33.25 3gqf n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqf n GLY 129 N 0.11 -1.38 2.61 0.72 0.00 -1.26 -4.97 105.19 101.02 3gqf n GLY 129 Ca 0.26 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3gqf n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqf n GLY 130 N 1.45 -0.42 3.33 -0.02 0.00 -1.26 -4.99 105.19 103.28 3gqf n GLY 130 Ca 0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 1.50 0.27 1.61 2.20 -1.26 -5.06 114.94 111.80 3gqf s ASN 131 Ca 0.12 -1.53 -0.01 0.00 -0.94 0.00 0.00 52.86 50.50 3gqf s ASN 131 Cb -0.05 0.36 0.36 0.00 -2.00 0.00 0.00 41.25 39.91 3gqf s ASN 131 CO 0.15 -0.86 1.74 -0.08 -2.94 0.00 0.00 177.10 175.11 3gqf h GLU 132 N 2.23 0.69 0.00 3.55 4.81 -2.00 -2.82 114.58 121.04 3gqf h GLU 132 Ca -0.34 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3gqf h GLU 132 Cb 1.25 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3gqf h GLU 132 CO 0.53 0.77 -0.16 0.93 -0.73 0.00 0.00 179.01 180.35 3gqf h GLU 133 N 0.63 0.00 -0.46 1.92 4.39 -1.99 -2.82 114.58 116.26 3gqf h GLU 133 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 3gqf h GLU 133 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3gqf h GLU 133 CO 0.03 0.16 0.22 1.03 -1.16 0.00 0.00 179.01 179.29 3gqf h SER 134 N 0.00 0.61 -0.38 1.42 0.87 -1.84 0.21 113.55 114.44 3gqf h SER 134 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3gqf h SER 134 Cb 0.30 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3gqf h SER 134 CO 0.02 0.58 0.00 0.35 -0.53 0.00 0.00 176.83 177.25 3gqf n THR 135 N -4.63 0.51 -0.05 2.23 -2.24 -1.08 -2.10 114.28 106.91 3gqf n THR 135 Ca 0.01 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3gqf n THR 135 Cb 0.12 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 3gqf n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3gqf n LYS 136 N 0.65 0.32 0.00 -0.78 3.00 -0.94 -1.82 118.16 118.59 3gqf n LYS 136 Ca 0.14 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 3gqf n LYS 136 Cb 0.34 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 34.31 3gqf n LYS 136 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3gqf n THR 137 N -3.90 0.00 -0.97 3.15 -2.24 0.68 -4.61 114.28 106.39 3gqf n THR 137 Ca -0.19 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3gqf n THR 137 Cb 0.50 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.24 0.48 3.70 3.38 0.00 -0.76 -4.40 105.19 108.83 3gqf n GLY 138 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.69 -3.41 -0.86 1.61 3.02 -1.25 -0.08 115.26 114.99 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 -4.38 0.20 0.00 -0.61 0.00 0.00 39.78 34.99 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 -4.52 2.45 -0.29 5.41 0.00 -1.26 -4.73 120.51 117.57 3gqf n ALA 140 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3gqf n ALA 140 Cb 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 1.21 -0.40 3.75 0.00 0.00 -1.26 -0.67 105.19 107.81 3gqf n GLY 141 Ca 0.15 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 4.95 -0.13 1.61 0.01 -1.26 -4.64 113.70 110.25 3gqf s SER 142 Ca 0.00 2.44 -0.29 0.00 1.31 0.00 0.00 55.95 59.40 3gqf s SER 142 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 3gqf s SER 142 CO 0.00 -1.76 1.10 -0.13 0.41 0.00 0.00 173.24 172.86 3gqf s ARG 143 N -3.41 4.34 -0.18 12.44 0.52 -1.26 -0.02 118.95 131.39 3gqf s ARG 143 Ca 0.78 1.49 0.17 0.00 -0.52 0.00 0.00 55.73 57.66 3gqf s ARG 143 Cb -0.32 -3.60 -0.25 0.00 0.52 0.00 0.00 34.95 31.30 3gqf s ARG 143 CO 0.36 -0.48 0.15 1.28 0.02 0.00 0.00 175.30 176.63 3gqf n LEU 144 N 5.58 0.11 -3.55 2.53 4.77 -0.10 -4.91 117.00 121.43 3gqf n LEU 144 Ca 0.11 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 3gqf n LEU 144 Cb 0.47 0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 3gqf n LEU 144 CO 0.53 0.48 0.50 0.00 -1.33 0.00 0.00 177.39 177.58 3gqf s ALA 145 N -2.51 -1.81 0.23 -1.18 0.00 -1.19 -4.07 121.76 111.24 3gqf s ALA 145 Ca -0.09 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 3gqf s ALA 145 Cb 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3gqf s ALA 145 CO 0.83 -0.35 0.49 0.00 0.00 0.00 0.00 175.76 176.73 3gqf s GLY 147 N -2.98 -0.31 0.02 0.00 0.00 -0.88 -0.96 107.32 102.22 3gqf s GLY 147 Ca 0.18 0.31 -0.22 0.00 0.00 0.00 0.00 44.72 44.99 3gqf s GLY 147 CO 0.06 0.09 0.65 0.14 0.00 0.00 0.00 173.10 174.03 3gqf s VAL 148 N -3.42 4.83 -0.20 1.40 1.01 -1.26 -1.21 120.40 121.55 3gqf s VAL 148 Ca 0.09 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3gqf s VAL 148 Cb -0.02 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 3gqf s VAL 148 CO -0.02 0.42 1.19 -0.63 0.00 0.00 0.00 175.10 176.06 3gqf s ILE 149 N -0.25 4.41 0.26 2.22 1.01 0.47 -4.55 121.20 124.76 3gqf s ILE 149 Ca 0.33 1.70 0.09 0.00 0.00 0.00 0.00 60.65 62.77 3gqf s ILE 149 Cb -0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3gqf s ILE 149 CO 0.19 -0.17 -0.00 -0.83 0.00 0.00 0.00 174.94 174.13 3gqf s GLY 150 N 1.76 1.65 0.19 6.18 0.00 0.02 -0.17 107.32 116.94 3gqf s GLY 150 Ca 0.51 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 3gqf s GLY 150 CO 0.12 -1.70 1.50 -0.42 0.00 0.00 0.00 173.10 172.60 3gqf s ILE 151 N -2.29 2.71 0.29 0.90 1.01 -1.26 -1.09 121.20 121.48 3gqf s ILE 151 Ca 0.31 0.54 0.10 0.00 0.00 0.00 0.00 60.65 61.61 3gqf s ILE 151 Cb -0.07 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3gqf s ILE 151 CO 0.20 0.06 -0.09 0.00 0.00 0.00 0.00 174.94 175.11 3gqf s ALA 152 N 0.70 2.99 -2.11 9.38 0.00 -0.50 -4.77 121.76 127.46 3gqf s ALA 152 Ca 0.65 -1.83 0.31 0.00 0.00 0.00 0.00 51.96 51.09 3gqf s ALA 152 Cb -0.42 -0.44 1.73 0.00 0.00 0.00 0.00 23.12 23.98 3gqf s ALA 152 CO 0.36 0.22 2.13 0.94 0.00 0.00 0.00 175.76 179.41