#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 4.62 0.00 0.00 2.01 0.27 -4.91 115.64 117.63 3gqf s THR 2 Ca 0.00 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.20 3gqf s THR 2 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3gqf s THR 2 CO 0.00 0.14 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.42 3gqf s LYS 3 N -2.17 0.82 0.28 4.92 1.02 -1.26 -1.13 119.74 122.22 3gqf s LYS 3 Ca 0.45 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.02 3gqf s LYS 3 Cb -0.15 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 3gqf s LYS 3 CO 0.20 0.21 0.13 0.00 -0.92 0.00 0.00 175.35 174.97 3gqf s ALA 4 N -0.38 1.81 -0.05 5.17 0.00 -0.68 -1.44 121.76 126.19 3gqf s ALA 4 Ca 0.03 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 49.98 3gqf s ALA 4 Cb -0.05 1.13 0.05 0.00 0.00 0.00 0.00 23.12 24.25 3gqf s ALA 4 CO -0.00 -0.49 0.49 0.54 0.00 0.00 0.00 175.76 176.29 3gqf s VAL 5 N -3.71 0.03 -0.04 0.00 0.11 -0.17 -1.57 120.40 115.04 3gqf s VAL 5 Ca 0.37 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 3gqf s VAL 5 Cb 0.06 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3gqf s VAL 5 CO 0.16 -0.12 0.09 0.00 -3.33 0.00 0.00 175.10 171.89 3gqf s VAL 7 N 1.23 5.13 -0.19 0.00 1.01 -1.26 -0.93 120.40 125.38 3gqf s VAL 7 Ca -0.08 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 3gqf s VAL 7 Cb -0.12 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3gqf s VAL 7 CO -0.04 -0.02 0.64 -0.76 0.00 0.00 0.00 175.10 174.92 3gqf s LEU 8 N 2.14 4.15 0.04 3.92 1.02 0.71 -3.83 118.68 126.83 3gqf s LEU 8 Ca 0.15 0.87 -0.07 0.00 0.02 0.00 0.00 54.13 55.09 3gqf s LEU 8 Cb -0.16 -2.91 -0.00 0.00 0.02 0.00 0.00 46.19 43.13 3gqf s LEU 8 CO 0.11 -0.27 0.14 -0.54 0.02 0.00 0.00 176.35 175.81 3gqf s LYS 9 N 1.87 0.62 0.00 1.70 1.02 -0.55 -1.74 119.74 122.66 3gqf s LYS 9 Ca 0.30 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3gqf s LYS 9 Cb -0.16 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 3gqf s LYS 9 CO 0.11 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 3gqf n GLY 10 N 0.79 3.15 0.04 -3.33 0.00 -1.25 -1.28 105.19 103.31 3gqf n GLY 10 Ca -0.19 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 44.91 3gqf n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqf n ASP 11 N -0.65 0.25 0.00 1.61 8.00 -1.26 -4.88 116.55 119.62 3gqf n ASP 11 Ca 0.00 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 3gqf n ASP 11 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3gqf n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqf n GLY 12 N 1.11 6.06 0.05 0.44 0.00 -1.26 -5.03 105.19 106.55 3gqf n GLY 12 Ca 0.06 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 0.56 -2.40 1.61 -0.04 -1.26 -4.85 135.00 128.62 3gqf n PRO 13 Ca 0.00 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 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 -2.51 4.18 -0.04 0.52 1.01 -1.26 -4.36 120.40 117.93 3gqf s VAL 14 Ca 0.29 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 3gqf s VAL 14 Cb 0.20 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3gqf s VAL 14 CO 0.47 -0.07 0.27 0.00 0.00 0.00 0.00 175.10 175.77 3gqf s GLN 15 N 2.93 0.52 0.14 2.72 -2.07 -1.07 -3.74 119.66 119.09 3gqf s GLN 15 Ca 0.57 -0.03 -0.25 0.00 -1.82 0.00 0.00 55.36 53.83 3gqf s GLN 15 Cb -0.24 0.23 0.06 0.00 -1.09 0.00 0.00 33.01 31.97 3gqf s GLN 15 CO 0.19 -0.12 0.88 0.20 -1.32 0.00 0.00 175.29 175.12 3gqf s GLY 16 N -0.83 -0.29 -0.10 2.60 0.00 -0.71 -0.76 107.32 107.24 3gqf s GLY 16 Ca -0.09 0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.89 3gqf s GLY 16 CO 0.02 0.07 -0.10 -0.42 0.00 0.00 0.00 173.10 172.67 3gqf s ILE 17 N -3.39 1.10 -0.13 0.90 1.01 -0.90 -0.21 121.20 119.59 3gqf s ILE 17 Ca 0.10 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3gqf s ILE 17 Cb -0.02 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 3gqf s ILE 17 CO -0.00 0.37 -0.20 -0.63 0.00 0.00 0.00 174.94 174.48 3gqf s ILE 18 N 1.33 2.37 0.01 2.92 -1.09 -0.11 -2.30 121.20 124.33 3gqf s ILE 18 Ca -0.02 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3gqf s ILE 18 Cb -0.14 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 3gqf s ILE 18 CO -0.04 0.54 0.15 0.20 -1.23 0.00 0.00 174.94 174.56 3gqf s ASN 19 N 0.58 6.10 -0.02 3.58 -0.87 0.18 -0.78 114.94 123.71 3gqf s ASN 19 Ca -0.11 0.25 0.05 0.00 -1.57 0.00 0.00 52.86 51.47 3gqf s ASN 19 Cb -0.16 -1.84 -0.01 0.00 -0.02 0.00 0.00 41.25 39.21 3gqf s ASN 19 CO 0.03 0.24 -0.18 -0.36 -2.57 0.00 0.00 177.10 174.27 3gqf s PHE 20 N -1.33 1.64 -0.04 2.20 0.40 -0.61 -0.94 117.98 119.31 3gqf s PHE 20 Ca 0.28 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3gqf s PHE 20 Cb -0.12 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.36 3gqf s PHE 20 CO 0.19 -0.07 0.09 -2.00 0.70 0.00 0.00 175.22 174.14 3gqf s GLU 21 N -0.29 0.04 -0.21 0.44 2.12 0.26 -1.68 118.70 119.38 3gqf s GLU 21 Ca 0.04 0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 3gqf s GLU 21 Cb -0.08 -0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.20 3gqf s GLU 21 CO 0.00 -0.14 -0.03 -1.14 -0.54 0.00 0.00 175.26 173.41 3gqf s GLN 22 N 0.94 1.33 0.16 4.30 0.74 -0.28 -0.33 119.66 126.52 3gqf s GLN 22 Ca -0.07 -0.73 -0.03 0.00 0.05 0.00 0.00 55.36 54.57 3gqf s GLN 22 Cb -0.10 -2.33 0.02 0.00 1.10 0.00 0.00 33.01 31.70 3gqf s GLN 22 CO -0.04 -0.57 1.41 0.87 -0.55 0.00 0.00 175.29 176.41 3gqf h LYS 23 N 8.07 0.47 -6.04 1.67 1.57 -1.83 0.79 116.57 121.27 3gqf h LYS 23 Ca -0.19 -0.39 -0.54 0.00 -1.87 0.00 0.00 60.65 57.67 3gqf h LYS 23 Cb 1.09 0.08 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 3gqf h LYS 23 CO 0.39 1.02 -0.82 -1.21 -0.57 0.00 0.00 179.45 178.27 3gqf s GLU 24 N -3.63 1.11 0.28 3.15 0.41 -1.26 -3.13 118.70 115.63 3gqf s GLU 24 Ca -0.06 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.02 3gqf s GLU 24 Cb 0.10 -1.32 -0.12 0.00 -1.78 0.00 0.00 34.13 31.01 3gqf s GLU 24 CO 0.85 0.30 1.51 0.43 -0.49 0.00 0.00 175.26 177.86 3gqf n SER 25 N 0.99 3.43 -0.52 -0.19 7.64 -1.26 -1.08 113.62 122.63 3gqf n SER 25 Ca -0.19 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.78 3gqf n SER 25 Cb 0.54 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.18 3gqf n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gqf n ASN 26 N 2.01 -5.24 -4.73 6.43 5.03 -1.26 -4.97 115.26 112.53 3gqf n ASN 26 Ca 0.09 0.16 -0.28 0.00 0.87 0.00 0.00 54.58 55.41 3gqf n ASN 26 Cb 0.35 -3.61 0.11 0.00 -1.02 0.00 0.00 39.78 35.61 3gqf n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3gqf s GLY 27 N -2.06 1.66 0.33 7.41 0.00 -0.24 -5.01 107.32 109.41 3gqf s GLY 27 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 3gqf s GLY 27 CO 0.00 -0.35 1.39 -1.55 0.00 0.00 0.00 173.10 172.60 3gqf n PRO 28 N -3.31 2.32 -3.56 2.90 -0.04 -1.26 -4.83 135.00 127.22 3gqf n PRO 28 Ca 0.10 0.82 -0.37 0.00 -0.04 0.00 0.00 63.50 64.01 3gqf n PRO 28 Cb 0.60 -2.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 3gqf n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gqf s VAL 29 N -0.82 5.30 -0.20 0.52 1.01 0.85 -4.35 120.40 122.71 3gqf s VAL 29 Ca 0.58 0.42 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 3gqf s VAL 29 Cb -0.55 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3gqf s VAL 29 CO 0.59 0.33 0.50 -0.75 0.00 0.00 0.00 175.10 175.77 3gqf s LYS 30 N 0.97 4.18 -0.18 2.72 2.20 0.55 -0.98 119.74 129.20 3gqf s LYS 30 Ca 0.13 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 3gqf s LYS 30 Cb -0.14 -3.56 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3gqf s LYS 30 CO 0.05 -0.14 -0.19 0.54 -0.36 0.00 0.00 175.35 175.25 3gqf s VAL 31 N 1.62 2.15 0.02 4.02 0.11 0.13 -0.57 120.40 127.88 3gqf s VAL 31 Ca 0.23 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 3gqf s VAL 31 Cb -0.15 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.80 3gqf s VAL 31 CO 0.09 0.53 0.19 -1.66 -3.33 0.00 0.00 175.10 170.92 3gqf s TRP 32 N 1.28 0.02 -3.06 1.54 -2.14 -0.11 -0.87 118.94 115.60 3gqf s TRP 32 Ca 0.05 -0.15 0.00 0.00 2.66 0.00 0.00 56.10 58.65 3gqf s TRP 32 Cb -0.13 -0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.22 3gqf s TRP 32 CO -0.12 -0.37 0.00 0.41 -2.66 0.00 0.00 176.95 174.21 3gqf n GLY 33 N 1.06 -0.83 2.93 3.67 0.00 -0.85 0.47 105.19 111.64 3gqf n GLY 33 Ca -0.21 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 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 0.70 -0.07 1.61 0.15 -0.97 -0.84 113.70 110.27 3gqf s SER 34 Ca 0.00 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.59 3gqf s SER 34 Cb 0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 3gqf s SER 34 CO 0.00 0.01 -0.20 -0.63 1.20 0.00 0.00 173.24 173.63 3gqf s ILE 35 N 0.29 1.67 0.34 6.45 1.01 -0.13 -2.11 121.20 128.73 3gqf s ILE 35 Ca -0.03 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 59.89 3gqf s ILE 35 Cb -0.07 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 3gqf s ILE 35 CO -0.00 0.47 -0.01 -0.54 0.00 0.00 0.00 174.94 174.86 3gqf s LYS 36 N 0.26 2.03 0.00 2.79 1.02 0.06 -0.56 119.74 125.34 3gqf s LYS 36 Ca -0.12 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.11 3gqf s LYS 36 Cb -0.15 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 3gqf s LYS 36 CO 0.05 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 3gqf n GLY 37 N -0.91 0.65 3.83 -3.33 0.00 -1.11 -2.58 105.19 101.74 3gqf n GLY 37 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 3.98 0.39 0.99 1.02 -0.87 -4.47 118.68 119.72 3gqf s LEU 38 Ca 0.00 1.50 -0.25 0.00 0.02 0.00 0.00 54.13 55.40 3gqf s LEU 38 Cb 0.00 -4.33 -0.09 0.00 0.02 0.00 0.00 46.19 41.79 3gqf s LEU 38 CO 0.00 -0.30 1.10 0.42 0.02 0.00 0.00 176.35 177.58 3gqf s THR 39 N -2.12 3.48 0.17 5.49 -4.23 -1.26 -4.19 115.64 112.98 3gqf s THR 39 Ca 0.58 1.20 -0.34 0.00 -1.18 0.00 0.00 61.69 61.96 3gqf s THR 39 Cb -0.10 -3.65 -0.15 0.00 1.34 0.00 0.00 72.50 69.94 3gqf s THR 39 CO 0.16 0.07 1.34 1.21 -0.54 0.00 0.00 174.62 176.86 3gqf n GLU 40 N 0.08 1.55 0.00 3.99 2.13 -1.26 -4.60 120.64 122.53 3gqf n GLU 40 Ca 0.04 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3gqf n GLU 40 Cb 0.48 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.02 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 2.41 0.44 3.83 8.31 0.00 -0.69 -4.94 105.19 114.55 3gqf n GLY 41 Ca 0.15 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 4.39 -0.05 0.99 1.43 -1.26 -0.67 118.68 123.51 3gqf s LEU 42 Ca 0.00 1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 3gqf s LEU 42 Cb 0.00 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 43.07 3gqf s LEU 42 CO 0.00 0.15 0.01 -1.00 0.23 0.00 0.00 176.35 175.74 3gqf s HIS 43 N -1.37 0.37 0.28 0.29 3.76 -0.04 -2.60 115.29 115.99 3gqf s HIS 43 Ca 0.36 0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.98 3gqf s HIS 43 Cb -0.16 -0.56 -0.14 0.00 1.11 0.00 0.00 32.58 32.83 3gqf s HIS 43 CO 0.19 -0.21 1.18 0.41 -0.85 0.00 0.00 174.74 175.46 3gqf n GLY 44 N 4.75 0.19 2.76 -2.22 0.00 0.21 -1.51 105.19 109.36 3gqf n GLY 44 Ca -0.14 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.78 -0.12 0.17 1.61 5.36 0.51 -0.99 117.98 123.74 3gqf s PHE 45 Ca 0.61 0.29 -0.20 0.00 -0.96 0.00 0.00 56.93 56.67 3gqf s PHE 45 Cb -0.67 -0.39 0.05 0.00 -0.34 0.00 0.00 43.02 41.67 3gqf s PHE 45 CO 0.58 -0.41 0.56 -0.98 -1.46 0.00 0.00 175.22 173.50 3gqf s ARG 46 N 2.27 1.30 -0.24 10.12 3.03 -0.86 -2.19 118.95 132.38 3gqf s ARG 46 Ca 0.04 -0.63 -0.10 0.00 2.03 0.00 0.00 55.73 57.07 3gqf s ARG 46 Cb -0.14 0.56 -0.05 0.00 -1.03 0.00 0.00 34.95 34.29 3gqf s ARG 46 CO -0.08 -0.56 0.14 0.08 -1.13 0.00 0.00 175.30 173.75 3gqf s VAL 47 N -3.80 5.10 0.33 4.99 1.01 0.53 -1.11 120.40 127.46 3gqf s VAL 47 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 3gqf s VAL 47 Cb -0.01 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3gqf s VAL 47 CO -0.09 0.33 0.62 -1.10 0.00 0.00 0.00 175.10 174.86 3gqf s GLN 48 N 1.24 3.65 0.16 2.72 -0.21 0.16 -0.94 119.66 126.44 3gqf s GLN 48 Ca 0.07 0.10 -0.16 0.00 0.02 0.00 0.00 55.36 55.38 3gqf s GLN 48 Cb -0.14 -2.57 0.06 0.00 1.00 0.00 0.00 33.01 31.36 3gqf s GLN 48 CO 0.06 0.12 1.77 1.49 -2.12 0.00 0.00 175.29 176.61 3gqf h GLU 49 N 1.40 0.35 -5.96 2.91 4.81 -0.60 -2.98 114.58 114.50 3gqf h GLU 49 Ca -0.48 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.06 3gqf h GLU 49 Cb 1.19 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.37 3gqf h GLU 49 CO 0.65 0.23 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.51 3gqf s PHE 50 N -6.15 3.24 -0.32 0.92 0.08 -0.32 -4.68 117.98 110.75 3gqf s PHE 50 Ca -0.13 0.23 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 3gqf s PHE 50 Cb 0.12 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 3gqf s PHE 50 CO 0.72 0.53 2.95 0.41 -0.10 0.00 0.00 175.22 179.72 3gqf n GLY 51 N 1.73 3.95 3.22 4.36 0.00 -0.94 -3.23 105.19 114.28 3gqf n GLY 51 Ca -0.17 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 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 0.80 5.41 -0.31 1.61 -1.08 -1.26 -4.94 116.67 116.91 3gqf s ASP 52 Ca 0.59 -1.54 0.08 0.00 -0.52 0.00 0.00 52.55 51.16 3gqf s ASP 52 Cb 0.35 -1.90 0.49 0.00 -1.46 0.00 0.00 42.92 40.40 3gqf s ASP 52 CO -0.15 -0.47 1.44 0.59 0.52 0.00 0.00 175.17 177.10 3gqf n ASN 53 N 4.79 3.08 -0.11 -0.34 5.03 -1.26 -2.44 115.26 124.02 3gqf n ASN 53 Ca -0.09 -3.81 -0.05 0.00 0.87 0.00 0.00 54.58 51.50 3gqf n ASN 53 Cb 0.43 -0.61 0.14 0.00 -1.02 0.00 0.00 39.78 38.72 3gqf n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 3gqf h THR 54 N 1.18 1.25 -1.87 3.41 1.35 -1.92 -3.01 112.91 113.30 3gqf h THR 54 Ca 0.25 -1.10 -0.65 0.00 -0.55 0.00 0.00 66.41 64.35 3gqf h THR 54 Cb 1.52 0.97 -0.37 0.00 -1.73 0.00 0.00 68.15 68.54 3gqf h THR 54 CO 0.49 0.38 -0.14 0.00 -0.25 0.00 0.00 175.52 176.00 3gqf n ALA 55 N -2.48 5.41 -0.66 6.62 0.00 -1.26 -5.06 120.51 123.08 3gqf n ALA 55 Ca 0.02 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.06 3gqf n ALA 55 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.40 1.14 0.27 0.00 0.00 -1.14 -3.15 105.19 101.91 3gqf n GLY 56 Ca 0.41 -0.69 0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 1.01 -0.01 0.00 2.02 -1.88 -3.19 112.91 110.86 3gqf h THR 58 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3gqf h THR 58 Cb 0.51 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3gqf h THR 58 CO 0.01 0.01 -0.04 -1.54 0.37 0.00 0.00 175.52 174.33 3gqf n SER 59 N -4.53 1.38 0.00 4.18 3.41 -1.24 -4.20 113.62 112.62 3gqf n SER 59 Ca -0.03 -1.39 0.14 0.00 -0.26 0.00 0.00 58.87 57.33 3gqf n SER 59 Cb 0.09 0.02 0.68 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.02 2.38 0.00 7.33 0.00 -1.02 -4.59 120.51 124.63 3gqf n ALA 60 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gqf n ALA 60 Cb 0.35 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.33 -1.56 3.76 0.00 0.00 -1.26 -1.17 105.19 106.29 3gqf n GLY 61 Ca 0.11 -1.42 -0.29 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 1.16 0.37 1.61 0.04 -1.26 -4.65 135.00 132.27 3gqf s PRO 62 Ca 0.00 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 3gqf s PRO 62 Cb 0.00 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 3gqf s PRO 62 CO 0.00 -2.22 1.29 0.72 0.04 0.00 0.00 177.00 176.83 3gqf n HIS 63 N -3.81 2.26 -1.72 0.56 8.25 -1.26 -0.26 115.22 119.24 3gqf n HIS 63 Ca 0.06 0.53 -0.43 0.00 -0.26 0.00 0.00 57.72 57.63 3gqf n HIS 63 Cb 0.58 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.25 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 -1.13 1.37 -0.38 4.41 5.36 -0.12 -4.48 117.98 123.01 3gqf s PHE 64 Ca 0.57 0.08 0.12 0.00 -0.96 0.00 0.00 56.93 56.74 3gqf s PHE 64 Cb -0.54 -4.08 0.35 0.00 -0.34 0.00 0.00 43.02 38.41 3gqf s PHE 64 CO 0.61 -4.59 0.78 -1.71 -1.46 0.00 0.00 175.22 168.86 3gqf n ASN 65 N 9.26 0.55 0.33 6.13 5.15 -1.26 -1.21 115.26 134.21 3gqf n ASN 65 Ca 0.23 -3.05 0.22 0.00 -0.60 0.00 0.00 54.58 51.38 3gqf n ASN 65 Cb 0.43 -0.36 1.15 0.00 -0.53 0.00 0.00 39.78 40.47 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 2.99 0.00 -0.26 1.20 0.13 -1.94 -2.25 132.00 131.87 3gqf h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3gqf h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gqf h PRO 66 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 3gqf n LEU 67 N -3.09 3.01 -3.42 1.56 4.77 -1.26 -4.97 117.00 113.59 3gqf n LEU 67 Ca -0.03 -1.22 -0.25 0.00 -0.03 0.00 0.00 56.01 54.49 3gqf n LEU 67 Cb 0.10 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3gqf n LEU 67 CO 0.21 0.61 0.10 -1.20 -1.33 0.00 0.00 177.39 175.78 3gqf n SER 68 N 1.23 -5.70 -4.90 -1.43 7.64 -0.85 -5.00 113.62 104.62 3gqf n SER 68 Ca 0.18 -0.48 -0.21 0.00 1.01 0.00 0.00 58.87 59.37 3gqf n SER 68 Cb 0.55 -4.56 0.06 0.00 -1.01 0.00 0.00 64.21 59.26 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 -6.12 2.26 0.48 1.43 0.52 -1.26 -5.11 118.95 111.15 3gqf s ARG 69 Ca 0.48 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 3gqf s ARG 69 Cb -0.22 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 3gqf s ARG 69 CO 0.59 -0.91 0.79 0.15 0.02 0.00 0.00 175.30 175.94 3gqf s LYS 70 N -4.80 3.55 0.26 3.54 1.02 -1.26 -4.69 119.74 117.35 3gqf s LYS 70 Ca 0.61 0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.51 3gqf s LYS 70 Cb -0.08 -2.37 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 3gqf s LYS 70 CO 0.40 -0.21 1.56 -1.58 -0.92 0.00 0.00 175.35 174.59 3gqf s HIS 71 N -2.74 2.88 0.01 3.18 5.65 -1.22 -3.15 115.29 119.90 3gqf s HIS 71 Ca 0.48 0.80 -0.00 0.00 0.25 0.00 0.00 55.06 56.59 3gqf s HIS 71 Cb -0.10 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.31 3gqf s HIS 71 CO 0.45 -3.35 0.02 0.41 -0.65 0.00 0.00 174.74 171.61 3gqf n GLY 72 N 2.49 3.13 3.89 1.59 0.00 -1.24 -4.51 105.19 110.54 3gqf n GLY 72 Ca 0.09 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.07 1.57 0.56 -0.02 0.00 -1.26 -4.77 107.32 102.33 3gqf s GLY 73 Ca 0.01 -0.36 0.23 0.00 0.00 0.00 0.00 44.72 44.61 3gqf s GLY 73 CO 0.01 -0.14 2.21 -0.56 0.00 0.00 0.00 173.10 174.61 3gqf h PRO 74 N -0.04 0.00 -0.00 2.90 0.13 -1.88 -0.79 132.00 132.32 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 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gqf h PRO 74 CO 0.62 0.00 -0.15 1.63 -0.23 0.00 0.00 178.00 179.87 3gqf n LYS 75 N -4.17 0.32 -2.95 0.86 5.02 -1.26 -4.89 118.16 111.09 3gqf n LYS 75 Ca -0.03 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.83 3gqf n LYS 75 Cb 0.09 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.75 6.94 0.09 4.39 1.01 -0.30 -4.98 116.67 121.07 3gqf s ASP 76 Ca 0.21 1.55 -0.16 0.00 0.71 0.00 0.00 52.55 54.86 3gqf s ASP 76 Cb 0.19 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.56 3gqf s ASP 76 CO 0.54 -0.24 1.44 -0.08 0.21 0.00 0.00 175.17 177.03 3gqf h GLU 77 N 2.30 0.64 -6.08 8.23 4.57 -1.90 -3.38 114.58 118.95 3gqf h GLU 77 Ca -0.48 -0.31 -0.58 0.00 -1.18 0.00 0.00 59.36 56.81 3gqf h GLU 77 Cb 1.18 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.66 3gqf h GLU 77 CO 0.63 0.90 0.80 -1.21 -1.18 0.00 0.00 179.01 178.95 3gqf s GLU 78 N -4.49 3.28 0.15 1.92 0.41 -1.26 -4.96 118.70 113.76 3gqf s GLU 78 Ca -0.13 -0.27 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 3gqf s GLU 78 Cb 0.08 -4.12 0.03 0.00 -1.78 0.00 0.00 34.13 28.34 3gqf s GLU 78 CO 0.81 -1.80 0.44 -0.98 -0.49 0.00 0.00 175.26 173.24 3gqf s ARG 79 N 4.72 1.19 0.55 1.61 1.70 -1.19 -3.72 118.95 123.82 3gqf s ARG 79 Ca 0.33 -0.80 -0.18 0.00 -0.47 0.00 0.00 55.73 54.60 3gqf s ARG 79 Cb -0.11 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 3gqf s ARG 79 CO 0.17 -0.48 1.09 -1.01 -1.08 0.00 0.00 175.30 173.99 3gqf s HIS 80 N -3.84 2.82 0.24 5.89 3.76 -1.19 -4.60 115.29 118.38 3gqf s HIS 80 Ca 0.06 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.48 3gqf s HIS 80 Cb 0.01 -3.15 0.37 0.00 1.11 0.00 0.00 32.58 30.92 3gqf s HIS 80 CO -0.08 -1.27 1.83 0.28 -0.85 0.00 0.00 174.74 174.65 3gqf h VAL 81 N 1.02 0.97 0.00 -0.90 2.07 -1.75 -2.67 116.25 114.99 3gqf h VAL 81 Ca -0.49 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3gqf h VAL 81 Cb 1.24 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3gqf h VAL 81 CO 0.57 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3gqf n GLY 82 N -1.32 -0.94 3.55 2.17 0.00 -0.35 -4.31 105.19 103.98 3gqf n GLY 82 Ca 0.13 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.24 5.49 -0.03 1.61 1.01 -1.01 -0.35 116.67 121.16 3gqf s ASP 83 Ca 0.33 0.26 0.16 0.00 0.71 0.00 0.00 52.55 54.01 3gqf s ASP 83 Cb 0.18 -2.53 0.49 0.00 1.01 0.00 0.00 42.92 42.06 3gqf s ASP 83 CO 0.34 -2.22 1.41 0.18 0.21 0.00 0.00 175.17 175.08 3gqf n LEU 84 N 11.93 3.58 0.00 1.23 4.77 -0.93 -4.00 117.00 133.58 3gqf n LEU 84 Ca 0.17 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 3gqf n LEU 84 Cb 0.51 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3gqf n LEU 84 CO 0.71 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 3gqf n GLY 85 N 0.92 0.96 3.45 -0.72 0.00 -1.10 -4.78 105.19 103.92 3gqf n GLY 85 Ca 0.19 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 3.64 0.25 1.61 0.01 -1.26 -0.36 114.94 114.82 3gqf s ASN 86 Ca 0.00 -0.74 0.09 0.00 -0.71 0.00 0.00 52.86 51.50 3gqf s ASN 86 Cb 0.00 -0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 3gqf s ASN 86 CO 0.00 0.14 0.01 0.68 -1.51 0.00 0.00 177.10 176.42 3gqf s VAL 87 N -1.47 3.57 -0.18 1.60 -7.23 -0.57 -4.92 120.40 111.20 3gqf s VAL 87 Ca 0.20 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3gqf s VAL 87 Cb -0.09 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3gqf s VAL 87 CO 0.10 -0.32 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.50 3gqf s THR 88 N -2.19 2.25 -0.11 5.32 2.01 -1.26 -0.86 115.64 120.79 3gqf s THR 88 Ca 0.31 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 3gqf s THR 88 Cb -0.07 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3gqf s THR 88 CO 0.20 0.53 0.61 0.00 -0.69 0.00 0.00 174.62 175.27 3gqf s ALA 89 N 1.22 3.43 1.06 7.40 0.00 0.16 -4.09 121.76 130.93 3gqf s ALA 89 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 3gqf s ALA 89 Cb -0.14 -2.86 0.09 0.00 0.00 0.00 0.00 23.12 20.21 3gqf s ALA 89 CO -0.10 -0.18 0.37 -0.40 0.00 0.00 0.00 175.76 175.45 3gqf n ASP 90 N 4.05 -0.98 0.29 0.00 5.68 -0.30 -1.71 116.55 123.58 3gqf n ASP 90 Ca -0.03 -0.83 0.17 0.00 -0.50 0.00 0.00 54.79 53.60 3gqf n ASP 90 Cb 0.51 -0.32 0.82 0.00 -1.14 0.00 0.00 41.12 40.99 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 -0.08 0.11 2.10 -1.98 -0.30 116.57 116.42 3gqf h LYS 91 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 3gqf h LYS 91 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3gqf h LYS 91 CO 0.09 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 3gqf n ASP 92 N -3.23 1.41 0.00 7.07 8.00 -1.26 -4.85 116.55 123.69 3gqf n ASP 92 Ca -0.01 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.94 3gqf n ASP 92 Cb 0.24 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.13 0.46 3.54 0.44 0.00 -0.12 -4.79 105.19 105.84 3gqf n GLY 93 Ca 0.18 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 4.63 -0.37 1.61 1.01 -1.26 -2.05 120.40 121.97 3gqf s VAL 94 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 3gqf s VAL 94 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 3gqf s VAL 94 CO 0.00 0.37 0.34 0.00 0.00 0.00 0.00 175.10 175.82 3gqf s ALA 95 N 1.16 3.48 -0.87 5.51 0.00 0.28 -1.15 121.76 130.16 3gqf s ALA 95 Ca 0.05 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 3gqf s ALA 95 Cb -0.14 -2.85 0.14 0.00 0.00 0.00 0.00 23.12 20.26 3gqf s ALA 95 CO 0.04 -1.23 1.04 -0.51 0.00 0.00 0.00 175.76 175.09 3gqf s ASP 96 N 1.74 6.59 0.11 0.00 -0.00 -1.26 -0.96 116.67 122.89 3gqf s ASP 96 Ca 0.10 -2.03 -0.31 0.00 -0.00 0.00 0.00 52.55 50.31 3gqf s ASP 96 Cb -0.17 -2.37 -0.07 0.00 -0.00 0.00 0.00 42.92 40.31 3gqf s ASP 96 CO 0.12 -1.02 1.26 -0.69 -0.00 0.00 0.00 175.17 174.83 3gqf s VAL 97 N 2.41 3.67 -0.24 -1.27 1.01 -0.02 -4.91 120.40 121.04 3gqf s VAL 97 Ca 0.28 1.25 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 3gqf s VAL 97 Cb -0.08 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.64 3gqf s VAL 97 CO -0.07 0.13 0.41 -0.55 0.00 0.00 0.00 175.10 175.02 3gqf s SER 98 N 0.81 -0.01 0.00 3.32 0.15 -1.25 -2.01 113.70 114.70 3gqf s SER 98 Ca 0.59 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.65 3gqf s SER 98 Cb -0.33 1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 65.25 3gqf s SER 98 CO 0.32 -0.29 -0.05 -0.63 1.20 0.00 0.00 173.24 173.79 3gqf s ILE 99 N 2.59 0.39 -0.12 6.45 1.01 -0.05 -5.02 121.20 126.45 3gqf s ILE 99 Ca 0.12 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3gqf s ILE 99 Cb -0.15 -0.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 3gqf s ILE 99 CO -0.16 0.01 -0.19 -0.70 0.00 0.00 0.00 174.94 173.90 3gqf s GLU 100 N -0.38 3.17 -0.01 2.79 2.12 -1.26 -0.69 118.70 124.44 3gqf s GLU 100 Ca -0.00 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.54 3gqf s GLU 100 Cb -0.03 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.89 3gqf s GLU 100 CO -0.00 0.13 -0.04 0.34 -0.54 0.00 0.00 175.26 175.15 3gqf s ASP 101 N 0.49 0.52 0.00 -1.70 2.15 -0.15 -4.97 116.67 113.01 3gqf s ASP 101 Ca -0.13 -0.08 0.09 0.00 0.43 0.00 0.00 52.55 52.87 3gqf s ASP 101 Cb -0.17 -0.09 0.15 0.00 -0.30 0.00 0.00 42.92 42.51 3gqf s ASP 101 CO 0.05 0.04 0.97 -1.20 -0.17 0.00 0.00 175.17 174.85 3gqf n SER 102 N 3.13 2.19 -0.12 -0.34 7.64 -1.26 -0.10 113.62 124.75 3gqf n SER 102 Ca -0.15 -1.64 -0.25 0.00 1.01 0.00 0.00 58.87 57.84 3gqf n SER 102 Cb 0.57 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.46 1.55 -1.24 0.44 0.31 -1.26 -4.89 118.33 113.70 3gqf n VAL 103 Ca 0.07 -0.30 -0.32 0.00 -0.01 0.00 0.00 64.34 63.78 3gqf n VAL 103 Cb 0.30 -1.89 0.11 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.46 2.59 0.11 2.52 -4.36 -1.26 -4.88 121.20 113.46 3gqf s ILE 104 Ca -0.34 0.24 -0.06 0.00 -0.26 0.00 0.00 60.65 60.23 3gqf s ILE 104 Cb 0.11 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 3gqf s ILE 104 CO 0.55 -0.20 0.15 -0.55 0.24 0.00 0.00 174.94 175.13 3gqf s SER 105 N -2.57 0.20 0.00 4.36 0.15 -0.71 -4.61 113.70 110.51 3gqf s SER 105 Ca 0.68 -0.88 0.22 0.00 0.70 0.00 0.00 55.95 56.67 3gqf s SER 105 Cb -0.24 0.34 0.55 0.00 -1.71 0.00 0.00 66.02 64.96 3gqf s SER 105 CO 0.50 -0.76 1.47 0.18 1.20 0.00 0.00 173.24 175.84 3gqf n LEU 106 N -0.08 3.72 -3.90 3.45 4.77 -1.26 -1.77 117.00 121.93 3gqf n LEU 106 Ca -0.11 -1.86 -0.08 0.00 -0.03 0.00 0.00 56.01 53.93 3gqf n LEU 106 Cb 0.63 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3gqf n LEU 106 CO 0.25 0.90 0.29 -0.94 -1.33 0.00 0.00 177.39 176.57 3gqf s SER 107 N -1.12 -0.18 0.21 -1.43 1.04 -1.26 -4.86 113.70 106.10 3gqf s SER 107 Ca 0.44 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3gqf s SER 107 Cb 0.23 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.99 3gqf s SER 107 CO 0.31 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3gqf n GLY 108 N -0.40 -0.81 0.23 7.32 0.00 -1.26 -3.83 105.19 106.43 3gqf n GLY 108 Ca -0.04 -1.17 0.06 0.00 0.00 0.00 0.00 46.02 44.87 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 1.61 0.00 -0.54 1.61 3.45 -2.01 -2.89 116.42 117.66 3gqf h ASP 109 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3gqf h ASP 109 Cb 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 3gqf h ASP 109 CO 0.00 0.17 0.08 1.41 -1.57 0.00 0.00 179.24 179.32 3gqf n HIS 110 N -4.34 1.87 -2.10 4.55 8.25 -1.26 -4.98 115.22 117.21 3gqf n HIS 110 Ca -0.03 -0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 56.07 3gqf n HIS 110 Cb 0.23 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 3.97 0.02 -2.12 0.00 -5.35 -0.73 -4.92 119.36 110.23 3gqf n ILE 112 Ca 0.12 -0.51 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 3gqf n ILE 112 Cb 0.41 1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 39.61 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 -1.36 2.97 0.00 7.28 1.01 -1.26 -1.56 121.20 128.29 3gqf s ILE 113 Ca 0.19 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3gqf s ILE 113 Cb 0.14 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3gqf s ILE 113 CO 0.21 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3gqf n GLY 114 N 2.46 0.74 3.96 6.18 0.00 0.27 -4.99 105.19 113.82 3gqf n GLY 114 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.08 2.33 -0.21 1.61 0.52 -0.60 -2.21 118.95 120.32 3gqf s ARG 115 Ca 0.00 -1.77 -0.06 0.00 -0.52 0.00 0.00 55.73 53.38 3gqf s ARG 115 Cb 0.00 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 3gqf s ARG 115 CO 0.00 -0.66 0.03 0.99 0.02 0.00 0.00 175.30 175.68 3gqf s THR 116 N -2.67 4.23 -0.04 0.02 2.01 -1.13 -0.36 115.64 117.70 3gqf s THR 116 Ca 0.48 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.11 3gqf s THR 116 Cb -0.04 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3gqf s THR 116 CO 0.30 0.41 0.42 -0.22 -0.69 0.00 0.00 174.62 174.84 3gqf s LEU 117 N 0.98 4.41 0.01 4.42 2.96 -0.44 0.36 118.68 131.37 3gqf s LEU 117 Ca 0.03 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 3gqf s LEU 117 Cb -0.14 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3gqf s LEU 117 CO 0.02 0.22 -0.04 0.54 -1.32 0.00 0.00 176.35 175.78 3gqf s VAL 118 N -0.50 0.25 -0.06 1.68 0.11 -0.27 -1.72 120.40 119.90 3gqf s VAL 118 Ca 0.24 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 3gqf s VAL 118 Cb -0.16 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3gqf s VAL 118 CO 0.12 -0.19 -0.20 0.54 -3.33 0.00 0.00 175.10 172.04 3gqf s VAL 119 N -0.73 2.56 0.36 2.04 0.11 -0.58 -2.02 120.40 122.15 3gqf s VAL 119 Ca -0.06 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.17 3gqf s VAL 119 Cb -0.05 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.80 3gqf s VAL 119 CO -0.00 0.57 0.30 -1.00 -3.33 0.00 0.00 175.10 171.64 3gqf s HIS 120 N -0.41 2.81 0.17 1.54 3.76 -0.16 -0.83 115.29 122.17 3gqf s HIS 120 Ca 0.04 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 3gqf s HIS 120 Cb -0.12 -1.90 0.07 0.00 1.11 0.00 0.00 32.58 31.73 3gqf s HIS 120 CO 0.02 0.11 1.66 1.49 -0.85 0.00 0.00 174.74 177.16 3gqf h GLU 121 N 1.22 1.01 0.00 1.40 4.81 -0.64 -3.38 114.58 119.00 3gqf h GLU 121 Ca -0.43 -0.29 -0.63 0.00 -0.13 0.00 0.00 59.36 57.88 3gqf h GLU 121 Cb 1.26 -0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.40 3gqf h GLU 121 CO 0.59 0.97 -0.48 1.63 -0.73 0.00 0.00 179.01 180.99 3gqf n LYS 122 N -4.27 0.69 -2.09 1.92 5.02 -0.07 -4.91 118.16 114.45 3gqf n LYS 122 Ca 0.03 -3.64 -0.40 0.00 -2.02 0.00 0.00 58.31 52.29 3gqf n LYS 122 Cb 0.30 1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 36.64 3gqf n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqf s ALA 123 N -2.97 3.33 -0.13 7.82 0.00 -1.07 -0.62 121.76 128.11 3gqf s ALA 123 Ca 0.08 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 3gqf s ALA 123 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3gqf s ALA 123 CO 0.06 -0.74 1.62 0.34 0.00 0.00 0.00 175.76 177.03 3gqf s ASP 124 N -0.68 6.55 0.00 0.00 -1.08 -1.26 -4.07 116.67 116.13 3gqf s ASP 124 Ca 0.54 1.94 0.23 0.00 -0.52 0.00 0.00 52.55 54.73 3gqf s ASP 124 Cb -0.38 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 39.75 3gqf s ASP 124 CO 0.50 -1.06 1.79 -0.90 0.52 0.00 0.00 175.17 176.01 3gqf n ASP 125 N 7.71 0.46 -2.30 -0.34 5.68 -0.10 -4.90 116.55 122.75 3gqf n ASP 125 Ca 0.18 -1.39 -0.21 0.00 -0.50 0.00 0.00 54.79 52.87 3gqf n ASP 125 Cb 0.44 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.53 -1.91 0.00 -2.12 4.77 -1.26 -1.77 117.00 114.17 3gqf n LEU 126 Ca 0.17 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3gqf n LEU 126 Cb 0.15 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.33 3gqf n LEU 126 CO 0.13 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 3gqf n GLY 127 N -0.98 0.54 1.02 -0.72 0.00 -1.23 -4.31 105.19 99.50 3gqf n GLY 127 Ca -0.24 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.87 3.10 0.00 1.61 5.02 -0.73 -4.63 118.16 119.66 3gqf n LYS 128 Ca 0.00 -2.51 0.13 0.00 -2.02 0.00 0.00 58.31 53.91 3gqf n LYS 128 Cb 0.00 -1.59 0.40 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.58 -1.11 2.20 0.72 0.00 -1.26 -4.96 105.19 101.36 3gqf n GLY 129 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 1.43 0.11 3.32 -0.02 0.00 -1.26 -5.00 105.19 103.76 3gqf n GLY 130 Ca 0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.75 0.06 0.23 1.61 2.20 -1.26 -5.07 114.94 109.96 3gqf s ASN 131 Ca 0.06 -0.89 -0.08 0.00 -0.94 0.00 0.00 52.86 51.01 3gqf s ASN 131 Cb -0.03 0.42 0.23 0.00 -2.00 0.00 0.00 41.25 39.87 3gqf s ASN 131 CO 0.07 -0.88 1.88 -0.08 -2.94 0.00 0.00 177.10 175.16 3gqf h GLU 132 N 2.57 1.03 -0.61 3.55 4.57 -2.00 -2.63 114.58 121.06 3gqf h GLU 132 Ca -0.32 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 57.72 3gqf h GLU 132 Cb 1.23 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3gqf h GLU 132 CO 0.49 0.68 0.08 1.49 -1.18 0.00 0.00 179.01 180.57 3gqf h GLU 133 N 1.06 1.01 -0.37 1.92 4.57 -1.99 -1.83 114.58 118.95 3gqf h GLU 133 Ca 0.32 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3gqf h GLU 133 Cb -0.04 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.38 3gqf h GLU 133 CO -0.10 0.95 0.06 1.03 -1.18 0.00 0.00 179.01 179.77 3gqf h SER 134 N 0.95 -0.02 -0.55 1.04 0.87 -1.79 0.11 113.55 114.16 3gqf h SER 134 Ca 0.19 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3gqf h SER 134 Cb 0.44 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3gqf h SER 134 CO 0.01 0.03 0.30 0.74 -0.53 0.00 0.00 176.83 177.38 3gqf h THR 135 N 0.18 1.18 0.07 2.23 2.02 -1.10 -1.19 112.91 116.30 3gqf h THR 135 Ca 0.18 -0.47 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 3gqf h THR 135 Cb 0.22 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3gqf h THR 135 CO -0.25 0.20 -0.88 0.11 0.37 0.00 0.00 175.52 175.08 3gqf h LYS 136 N 0.80 0.14 0.00 6.66 1.57 -1.02 -3.24 116.57 121.48 3gqf h LYS 136 Ca 0.20 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gqf h LYS 136 Cb 0.04 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3gqf h LYS 136 CO -0.03 1.12 0.00 0.25 -0.57 0.00 0.00 179.45 180.22 3gqf n THR 137 N -4.25 0.00 -0.79 -0.16 -2.24 0.34 -4.44 114.28 102.74 3gqf n THR 137 Ca -0.20 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3gqf n THR 137 Cb 0.73 1.50 0.00 0.00 -2.10 0.00 0.00 70.33 70.46 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 0.08 0.71 3.63 3.38 0.00 -0.45 -4.49 105.19 108.06 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 -2.01 0.00 0.00 0.00 173.32 171.31 3gqf n ASN 139 N 0.00 -1.71 -1.20 1.61 4.05 -1.20 -0.92 115.26 115.89 3gqf n ASN 139 Ca 0.00 -0.75 0.05 0.00 0.45 0.00 0.00 54.58 54.33 3gqf n ASN 139 Cb 0.00 -4.37 0.23 0.00 1.23 0.00 0.00 39.78 36.87 3gqf n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gqf n ALA 140 N -4.27 3.07 -0.48 5.20 0.00 -1.26 -4.77 120.51 118.00 3gqf n ALA 140 Ca -0.27 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3gqf n ALA 140 Cb 0.67 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 0.64 -0.03 3.83 0.00 0.00 -1.26 -0.90 105.19 107.47 3gqf n GLY 141 Ca 0.16 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3gqf n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqf s SER 142 N -4.00 5.47 -0.16 1.61 1.04 -1.26 -4.65 113.70 111.75 3gqf s SER 142 Ca 0.00 1.55 -0.26 0.00 0.48 0.00 0.00 55.95 57.72 3gqf s SER 142 Cb 0.00 -2.45 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 3gqf s SER 142 CO 0.00 -1.38 0.85 -0.13 0.98 0.00 0.00 173.24 173.57 3gqf s ARG 143 N -5.08 4.32 -0.16 4.02 0.52 -1.26 -0.57 118.95 120.73 3gqf s ARG 143 Ca 0.58 1.07 0.03 0.00 -0.52 0.00 0.00 55.73 56.88 3gqf s ARG 143 Cb -0.13 -3.57 -0.23 0.00 0.52 0.00 0.00 34.95 31.54 3gqf s ARG 143 CO 0.55 -0.32 0.18 1.28 0.02 0.00 0.00 175.30 177.01 3gqf n LEU 144 N 5.16 2.08 -3.60 2.53 4.77 -0.01 -4.92 117.00 123.01 3gqf n LEU 144 Ca 0.05 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 3gqf n LEU 144 Cb 0.49 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3gqf n LEU 144 CO 0.49 0.76 0.29 0.00 -1.33 0.00 0.00 177.39 177.60 3gqf s ALA 145 N -2.54 -1.41 0.28 -1.18 0.00 -1.18 -4.15 121.76 111.58 3gqf s ALA 145 Ca -0.22 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 3gqf s ALA 145 Cb 0.07 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3gqf s ALA 145 CO 0.73 -0.37 0.53 0.00 0.00 0.00 0.00 175.76 176.65 3gqf s GLY 147 N -3.04 -0.37 0.01 0.00 0.00 -0.70 -1.49 107.32 101.73 3gqf s GLY 147 Ca 0.22 0.66 -0.26 0.00 0.00 0.00 0.00 44.72 45.34 3gqf s GLY 147 CO 0.10 0.20 0.81 0.14 0.00 0.00 0.00 173.10 174.35 3gqf s VAL 148 N -3.15 4.83 -0.24 1.40 1.01 -1.26 -1.33 120.40 121.66 3gqf s VAL 148 Ca 0.08 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.48 3gqf s VAL 148 Cb -0.01 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 3gqf s VAL 148 CO -0.04 0.28 1.21 -0.63 0.00 0.00 0.00 175.10 175.93 3gqf s ILE 149 N 0.42 4.33 0.23 2.22 1.01 0.51 -4.57 121.20 125.36 3gqf s ILE 149 Ca 0.42 1.57 0.10 0.00 0.00 0.00 0.00 60.65 62.74 3gqf s ILE 149 Cb -0.20 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3gqf s ILE 149 CO 0.23 -0.29 -0.10 -0.83 0.00 0.00 0.00 174.94 173.95 3gqf s GLY 150 N 2.05 1.74 0.18 6.18 0.00 -0.46 0.98 107.32 117.98 3gqf s GLY 150 Ca 0.52 -1.64 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 3gqf s GLY 150 CO 0.16 -1.69 1.51 -0.42 0.00 0.00 0.00 173.10 172.66 3gqf s ILE 151 N -2.08 2.73 0.23 0.90 1.01 -1.26 -1.00 121.20 121.72 3gqf s ILE 151 Ca 0.28 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.56 3gqf s ILE 151 Cb -0.07 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3gqf s ILE 151 CO 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 174.94 175.14 3gqf s ALA 152 N 0.85 3.14 -2.00 9.38 0.00 -0.52 -4.80 121.76 127.82 3gqf s ALA 152 Ca 0.67 -1.54 0.19 0.00 0.00 0.00 0.00 51.96 51.28 3gqf s ALA 152 Cb -0.42 -0.84 1.16 0.00 0.00 0.00 0.00 23.12 23.02 3gqf s ALA 152 CO 0.34 0.35 1.55 0.94 0.00 0.00 0.00 175.76 178.95