#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqf n ARG -2 N 0.00 1.90 -1.12 0.54 0.00 -1.26 -2.21 116.66 114.52 1pqf n ARG -2 Ca 0.00 0.67 -0.04 0.00 -0.00 0.00 0.00 57.85 58.48 1pqf n ARG -2 Cb 0.00 -2.23 -0.02 0.00 -0.00 0.00 0.00 32.46 30.22 1pqf n ARG -2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pqf n GLY -1 N 1.29 0.68 3.79 2.89 0.00 -1.26 -5.02 105.19 107.55 1pqf n GLY -1 Ca 0.08 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1pqf n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pqf s SER 0 N -2.96 5.73 -0.05 1.61 0.01 -0.94 -4.96 113.70 112.15 1pqf s SER 0 Ca 0.00 1.97 -0.30 0.00 1.31 0.00 0.00 55.95 58.93 1pqf s SER 0 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1pqf s SER 0 CO 0.00 -1.20 1.04 -0.32 0.41 0.00 0.00 173.24 173.17 1pqf s MET 1 N -3.71 4.46 -0.20 12.44 -2.45 -1.26 -4.99 119.30 123.59 1pqf s MET 1 Ca 0.67 1.47 -0.06 0.00 -1.25 0.00 0.00 55.69 56.52 1pqf s MET 1 Cb -0.19 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 1pqf s MET 1 CO 0.32 -0.23 0.03 0.42 1.05 0.00 0.00 175.02 176.61 1pqf s ILE 2 N 1.61 4.27 0.11 10.11 -1.09 -1.26 -2.44 121.20 132.50 1pqf s ILE 2 Ca 0.51 -0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 58.68 1pqf s ILE 2 Cb -0.21 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1pqf s ILE 2 CO 0.23 0.42 0.35 -0.13 -1.23 0.00 0.00 174.94 174.57 1pqf s ARG 3 N 0.92 3.60 -0.33 2.79 1.81 0.05 -4.88 118.95 122.92 1pqf s ARG 3 Ca 0.02 -0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 53.82 1pqf s ARG 3 Cb -0.14 -2.91 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1pqf s ARG 3 CO 0.02 0.51 0.19 0.99 -0.68 0.00 0.00 175.30 176.34 1pqf s THR 4 N -1.58 4.84 0.05 0.02 2.01 -1.26 -1.67 115.64 118.06 1pqf s THR 4 Ca 0.38 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.08 1pqf s THR 4 Cb -0.12 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1pqf s THR 4 CO 0.23 0.01 -0.24 -0.04 -0.69 0.00 0.00 174.62 173.89 1pqf s MET 5 N 1.65 1.63 -0.15 4.92 -1.94 -0.02 -4.96 119.30 120.43 1pqf s MET 5 Ca 0.05 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 52.68 1pqf s MET 5 Cb -0.17 -1.79 -0.07 0.00 2.01 0.00 0.00 34.83 34.80 1pqf s MET 5 CO 0.08 0.46 2.15 -0.11 -0.01 0.00 0.00 175.02 177.59 1pqf n LEU 6 N 1.78 3.44 0.08 -0.03 7.94 -1.26 -1.07 117.00 127.88 1pqf n LEU 6 Ca -0.17 0.42 -0.22 0.00 -1.11 0.00 0.00 56.01 54.94 1pqf n LEU 6 Cb 0.52 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 1pqf n LEU 6 CO 0.23 -0.44 -0.02 -0.61 -1.11 0.00 0.00 177.39 175.44 1pqf h GLN 7 N 13.56 0.58 0.00 1.96 -0.00 -1.26 -3.39 115.11 126.56 1pqf h GLN 7 Ca -0.43 -0.77 0.00 0.00 -0.00 0.00 0.00 58.65 57.45 1pqf h GLN 7 Cb 1.25 0.25 0.00 0.00 0.00 0.00 0.00 27.48 28.98 1pqf h GLN 7 CO 0.96 1.34 0.00 0.41 0.00 0.00 0.00 178.83 181.54 1pqf n GLY 8 N 1.37 0.72 3.53 2.39 0.00 -1.16 -1.16 105.19 110.87 1pqf n GLY 8 Ca -0.13 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1pqf n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pqf s LYS 9 N -2.00 1.01 -0.42 1.61 -2.85 -0.25 -1.62 119.74 115.22 1pqf s LYS 9 Ca 0.00 0.36 -0.22 0.00 -1.00 0.00 0.00 55.97 55.11 1pqf s LYS 9 Cb 0.00 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.27 1pqf s LYS 9 CO 0.00 -0.29 0.74 -0.51 0.10 0.00 0.00 175.35 175.39 1pqf s LEU 10 N -0.95 4.28 1.02 2.77 1.43 0.31 -1.88 118.68 125.66 1pqf s LEU 10 Ca -0.09 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1pqf s LEU 10 Cb -0.01 -2.90 0.20 0.00 0.03 0.00 0.00 46.19 43.51 1pqf s LEU 10 CO 0.08 -0.82 1.08 -1.00 0.23 0.00 0.00 176.35 175.92 1pqf s HIS 11 N 3.10 1.97 -0.06 0.29 3.76 0.12 -1.97 115.29 122.50 1pqf s HIS 11 Ca 0.28 1.09 -0.02 0.00 -0.15 0.00 0.00 55.06 56.26 1pqf s HIS 11 Cb -0.13 -3.21 -0.02 0.00 1.11 0.00 0.00 32.58 30.33 1pqf s HIS 11 CO 0.20 -3.02 0.17 0.54 -0.85 0.00 0.00 174.74 171.78 1pqf n ARG 12 N -4.29 0.00 -4.39 1.40 1.74 -1.25 -4.55 116.66 105.33 1pqf n ARG 12 Ca 0.05 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.86 1pqf n ARG 12 Cb 0.56 -0.09 -0.11 0.00 -1.02 0.00 0.00 32.46 31.80 1pqf n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pqf s VAL 13 N 0.51 2.56 -0.08 1.55 0.11 0.58 -4.27 120.40 121.36 1pqf s VAL 13 Ca 0.09 -1.91 -0.17 0.00 -2.93 0.00 0.00 61.98 57.06 1pqf s VAL 13 Cb -0.08 -2.23 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1pqf s VAL 13 CO 0.03 -0.09 0.43 -0.75 -3.33 0.00 0.00 175.10 171.39 1pqf s LYS 14 N -2.65 4.19 0.03 1.54 2.20 -1.26 -0.52 119.74 123.27 1pqf s LYS 14 Ca 0.21 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 1pqf s LYS 14 Cb -0.08 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1pqf s LYS 14 CO 0.11 0.36 1.43 0.08 -0.36 0.00 0.00 175.35 176.96 1pqf s VAL 15 N -0.00 3.57 -0.06 4.02 1.01 0.05 -4.52 120.40 124.47 1pqf s VAL 15 Ca 0.24 1.00 0.21 0.00 0.00 0.00 0.00 61.98 63.42 1pqf s VAL 15 Cb -0.15 -3.64 -0.31 0.00 0.00 0.00 0.00 36.38 32.27 1pqf s VAL 15 CO 0.11 0.01 0.39 0.35 0.00 0.00 0.00 175.10 175.96 1pqf n THR 16 N 4.56 0.24 -3.71 3.92 -2.24 0.53 -1.10 114.28 116.48 1pqf n THR 16 Ca 0.13 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.23 1pqf n THR 16 Cb 0.43 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 1pqf n THR 16 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pqf s HIS 17 N -3.29 -0.38 -0.24 4.78 3.76 -1.12 -4.91 115.29 113.89 1pqf s HIS 17 Ca -0.08 0.79 -0.02 0.00 -0.15 0.00 0.00 55.06 55.59 1pqf s HIS 17 Cb 0.12 0.17 0.13 0.00 1.11 0.00 0.00 32.58 34.11 1pqf s HIS 17 CO 0.86 -0.36 0.33 0.00 -0.85 0.00 0.00 174.74 174.73 1pqf s ALA 18 N -0.64 -0.84 -0.25 -1.40 0.00 -1.26 -1.30 121.76 116.07 1pqf s ALA 18 Ca -0.07 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1pqf s ALA 18 Cb -0.04 -1.64 0.07 0.00 0.00 0.00 0.00 23.12 21.52 1pqf s ALA 18 CO 0.04 -1.34 0.04 0.34 0.00 0.00 0.00 175.76 174.83 1pqf s ASP 19 N 2.47 3.54 0.53 0.00 2.15 -1.16 -4.95 116.67 119.26 1pqf s ASP 19 Ca 0.11 -1.21 0.34 0.00 0.43 0.00 0.00 52.55 52.22 1pqf s ASP 19 Cb -0.15 -0.84 1.83 0.00 -0.30 0.00 0.00 42.92 43.46 1pqf s ASP 19 CO -0.18 -0.33 2.03 0.17 -0.17 0.00 0.00 175.17 176.69 1pqf h LEU 20 N 8.11 0.00 -1.42 -1.34 -0.00 -1.88 -0.93 115.31 117.85 1pqf h LEU 20 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1pqf h LEU 20 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1pqf h LEU 20 CO 0.40 0.00 -0.23 1.41 -0.00 0.00 0.00 178.44 180.03 1pqf n HIS 21 N -2.73 0.00 -2.99 0.17 8.25 -1.26 -3.99 115.22 112.68 1pqf n HIS 21 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 1pqf n HIS 21 Cb 0.11 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.23 1pqf n HIS 21 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1pqf s TYR 22 N -2.23 2.85 0.44 4.41 5.04 -1.08 -4.97 117.35 121.80 1pqf s TYR 22 Ca 0.24 -0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.31 1pqf s TYR 22 Cb 0.19 -2.41 -0.08 0.00 0.35 0.00 0.00 41.96 40.02 1pqf s TYR 22 CO 0.43 -0.46 1.23 -1.83 -1.34 0.00 0.00 175.55 173.58 1pqf s GLU 23 N -4.40 3.79 -0.29 4.97 -1.05 -1.26 -2.04 118.70 118.42 1pqf s GLU 23 Ca 0.54 1.95 -0.28 0.00 -0.15 0.00 0.00 54.97 57.03 1pqf s GLU 23 Cb -0.10 -2.53 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 1pqf s GLU 23 CO 0.34 -0.57 1.83 -1.12 0.95 0.00 0.00 175.26 176.68 1pqf s SER 24 N -1.10 5.93 -0.08 0.83 0.01 -1.26 -3.87 113.70 114.16 1pqf s SER 24 Ca 0.61 1.46 -0.32 0.00 1.31 0.00 0.00 55.95 59.01 1pqf s SER 24 Cb -0.33 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.50 1pqf s SER 24 CO 0.41 -1.65 1.40 -0.94 0.41 0.00 0.00 173.24 172.86 1pqf s SER 25 N 6.03 -0.01 -0.17 2.44 1.04 -1.21 -4.83 113.70 117.00 1pqf s SER 25 Ca 0.81 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1pqf s SER 25 Cb -0.25 0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1pqf s SER 25 CO 0.34 -0.06 -0.20 0.00 0.98 0.00 0.00 173.24 174.29 1pqf s ALA 27 N 1.10 3.68 -0.03 0.00 0.00 -0.34 -0.97 121.76 125.20 1pqf s ALA 27 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1pqf s ALA 27 Cb -0.14 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1pqf s ALA 27 CO -0.08 0.21 -0.01 0.42 0.00 0.00 0.00 175.76 176.30 1pqf s ILE 28 N 0.16 0.22 -0.16 0.00 1.01 0.37 -1.05 121.20 121.74 1pqf s ILE 28 Ca 0.12 0.03 -0.41 0.00 0.00 0.00 0.00 60.65 60.39 1pqf s ILE 28 Cb -0.12 -0.29 -0.19 0.00 0.01 0.00 0.00 42.46 41.87 1pqf s ILE 28 CO 0.01 0.14 1.36 -0.67 0.00 0.00 0.00 174.94 175.78 1pqf n ASP 29 N 3.94 0.94 -0.12 3.58 -0.08 -0.64 -0.42 116.55 123.75 1pqf n ASP 29 Ca -0.25 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.33 1pqf n ASP 29 Cb 0.52 -0.98 0.52 0.00 2.34 0.00 0.00 41.12 43.51 1pqf n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pqf h GLN 30 N 4.39 0.36 -0.88 -0.67 5.75 -1.53 -0.40 115.11 122.14 1pqf h GLN 30 Ca -0.48 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.06 1pqf h GLN 30 Cb 1.38 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.79 1pqf h GLN 30 CO 0.81 0.24 0.55 -0.44 -2.65 0.00 0.00 178.83 177.34 1pqf h ASP 31 N 0.37 0.88 -0.26 -0.69 3.32 -1.88 0.17 116.42 118.34 1pqf h ASP 31 Ca 0.33 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 1pqf h ASP 31 Cb 0.77 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1pqf h ASP 31 CO -0.09 0.57 -0.23 -0.26 -1.72 0.00 0.00 179.24 177.50 1pqf h PHE 32 N 1.02 0.73 -0.54 4.55 0.04 -1.43 -2.21 116.94 119.09 1pqf h PHE 32 Ca 0.38 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 61.00 1pqf h PHE 32 Cb 0.14 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.08 1pqf h PHE 32 CO -0.03 0.92 0.24 -0.07 -0.60 0.00 0.00 178.31 178.77 1pqf h LEU 33 N 0.34 0.29 -0.45 1.54 3.38 -1.14 -1.94 115.31 117.34 1pqf h LEU 33 Ca 0.04 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1pqf h LEU 33 Cb 0.79 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1pqf h LEU 33 CO 0.06 0.20 0.17 0.44 0.09 0.00 0.00 178.44 179.40 1pqf h ASP 34 N 0.45 0.20 -0.27 -0.43 3.32 -0.84 0.22 116.42 119.07 1pqf h ASP 34 Ca 0.25 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1pqf h ASP 34 Cb 0.23 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1pqf h ASP 34 CO -0.22 0.15 -0.13 0.00 -1.72 0.00 0.00 179.24 177.31 1pqf h ALA 35 N 1.28 1.05 -0.01 3.45 0.00 -1.03 -2.63 119.26 121.37 1pqf h ALA 35 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pqf h ALA 35 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pqf h ALA 35 CO -0.20 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1pqf n ALA 36 N -2.49 2.70 -1.68 0.00 0.00 -0.76 -4.07 120.51 114.21 1pqf n ALA 36 Ca 0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1pqf n ALA 36 Cb 0.36 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1pqf n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqf n GLY 37 N 1.21 1.04 3.81 0.00 0.00 -0.06 -4.20 105.19 106.99 1pqf n GLY 37 Ca 0.17 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1pqf n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqf s ILE 38 N -2.62 4.76 0.11 -0.61 1.01 -0.47 -4.99 121.20 118.39 1pqf s ILE 38 Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 60.65 61.88 1pqf s ILE 38 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1pqf s ILE 38 CO 0.00 0.56 0.10 -0.76 0.00 0.00 0.00 174.94 174.84 1pqf s LEU 39 N -1.11 3.80 0.30 2.97 1.43 -1.26 -4.53 118.68 120.28 1pqf s LEU 39 Ca 0.29 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1pqf s LEU 39 Cb -0.19 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.45 1pqf s LEU 39 CO 0.19 0.13 1.55 1.21 0.23 0.00 0.00 176.35 179.66 1pqf n GLU 40 N 0.15 2.60 -0.92 1.70 2.13 -1.26 -1.80 120.64 123.24 1pqf n GLU 40 Ca -0.08 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1pqf n GLU 40 Cb 0.53 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.56 1pqf n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pqf n ASN 41 N 1.93 -0.76 -4.75 4.31 3.02 0.55 -4.98 115.26 114.58 1pqf n ASN 41 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1pqf n ASN 41 Cb 0.36 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 1pqf n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pqf s GLU 42 N -0.24 4.65 0.27 3.52 2.12 -0.74 -4.74 118.70 123.53 1pqf s GLU 42 Ca 0.00 1.71 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 1pqf s GLU 42 Cb 0.00 -3.25 -0.11 0.00 0.26 0.00 0.00 34.13 31.02 1pqf s GLU 42 CO 0.00 0.18 1.60 0.00 -0.54 0.00 0.00 175.26 176.50 1pqf s ALA 43 N -0.65 3.77 0.04 6.30 0.00 -1.26 -1.45 121.76 128.51 1pqf s ALA 43 Ca 0.47 1.54 0.04 0.00 0.00 0.00 0.00 51.96 54.00 1pqf s ALA 43 Cb -0.30 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 1pqf s ALA 43 CO 0.36 -0.94 -0.11 0.96 0.00 0.00 0.00 175.76 176.03 1pqf s ILE 44 N 0.26 0.84 -0.17 0.00 -4.36 -0.40 -4.63 121.20 112.75 1pqf s ILE 44 Ca 0.65 -1.02 -0.06 0.00 -0.26 0.00 0.00 60.65 59.96 1pqf s ILE 44 Cb -0.47 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 1pqf s ILE 44 CO 0.44 -0.17 0.04 -1.81 0.24 0.00 0.00 174.94 173.68 1pqf s ASP 45 N -1.33 5.50 -0.13 4.36 1.01 0.18 -1.35 116.67 124.90 1pqf s ASP 45 Ca -0.03 0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.32 1pqf s ASP 45 Cb -0.08 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1pqf s ASP 45 CO 0.01 0.20 -0.20 -0.63 0.21 0.00 0.00 175.17 174.76 1pqf s ILE 46 N 0.18 2.30 -0.21 0.77 1.01 0.59 -0.96 121.20 124.88 1pqf s ILE 46 Ca 0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1pqf s ILE 46 Cb -0.12 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 1pqf s ILE 46 CO 0.01 0.54 -0.07 0.86 0.00 0.00 0.00 174.94 176.28 1pqf s TRP 47 N 0.66 2.92 -0.52 3.97 -0.11 -0.35 -1.12 118.94 124.39 1pqf s TRP 47 Ca -0.10 -1.05 -0.22 0.00 1.22 0.00 0.00 56.10 55.96 1pqf s TRP 47 Cb -0.16 -2.06 0.05 0.00 -1.50 0.00 0.00 33.47 29.80 1pqf s TRP 47 CO 0.02 -0.58 0.77 1.21 -4.62 0.00 0.00 176.95 173.75 1pqf s ASN 48 N 1.39 6.29 0.24 5.86 3.84 0.55 -0.68 114.94 132.43 1pqf s ASN 48 Ca 0.05 -0.59 -0.01 0.00 0.21 0.00 0.00 52.86 52.52 1pqf s ASN 48 Cb -0.14 -2.36 0.27 0.00 -0.55 0.00 0.00 41.25 38.47 1pqf s ASN 48 CO -0.05 -1.03 1.65 0.58 -2.79 0.00 0.00 177.10 175.46 1pqf h VAL 49 N 5.94 1.28 -0.23 -5.21 2.07 -1.22 0.80 116.25 119.68 1pqf h VAL 49 Ca -0.27 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1pqf h VAL 49 Cb 1.09 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1pqf h VAL 49 CO 1.01 0.45 0.13 0.74 0.02 0.00 0.00 177.57 179.92 1pqf h THR 50 N 0.51 1.11 -0.01 2.57 2.02 -1.90 -3.33 112.91 113.88 1pqf h THR 50 Ca 0.06 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1pqf h THR 50 Cb 0.78 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1pqf h THR 50 CO 0.06 0.10 -0.01 -0.46 0.37 0.00 0.00 175.52 175.58 1pqf n ASN 51 N -4.88 1.84 0.00 4.18 0.23 -1.23 -5.02 115.26 110.38 1pqf n ASN 51 Ca -0.03 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.60 1pqf n ASN 51 Cb 0.07 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1pqf n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pqf n GLY 52 N 0.62 0.76 3.75 4.83 0.00 0.27 -5.02 105.19 110.40 1pqf n GLY 52 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1pqf n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqf s LYS 53 N -0.18 4.81 -0.05 1.61 1.02 -1.20 -4.81 119.74 120.94 1pqf s LYS 53 Ca 0.00 1.56 0.04 0.00 0.02 0.00 0.00 55.97 57.59 1pqf s LYS 53 Cb 0.00 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1pqf s LYS 53 CO 0.00 0.45 -0.18 1.03 -0.92 0.00 0.00 175.35 175.72 1pqf s ARG 54 N -1.25 1.95 0.19 1.68 0.52 -1.26 -0.33 118.95 120.44 1pqf s ARG 54 Ca 0.42 -0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 1pqf s ARG 54 Cb -0.27 -1.67 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1pqf s ARG 54 CO 0.34 0.25 0.46 -0.59 0.02 0.00 0.00 175.30 175.78 1pqf s PHE 55 N 0.05 0.03 -0.00 -0.53 -0.71 -0.27 -5.01 117.98 111.52 1pqf s PHE 55 Ca -0.05 -0.38 0.06 0.00 -1.04 0.00 0.00 56.93 55.52 1pqf s PHE 55 Cb -0.12 0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1pqf s PHE 55 CO 0.03 -0.86 -0.18 -1.12 -1.34 0.00 0.00 175.22 171.74 1pqf s SER 56 N -2.90 3.72 0.00 1.98 0.01 -1.26 -0.30 113.70 114.95 1pqf s SER 56 Ca 0.11 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1pqf s SER 56 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.60 1pqf s SER 56 CO -0.02 0.30 0.00 1.07 0.41 0.00 0.00 173.24 175.00 1pqf n THR 57 N 2.00 0.00 -4.16 1.44 5.66 -0.46 -5.00 114.28 113.75 1pqf n THR 57 Ca -0.16 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 1pqf n THR 57 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 1pqf n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pqf s TYR 58 N -0.66 0.92 0.07 1.09 1.13 -1.26 -1.27 117.35 117.37 1pqf s TYR 58 Ca 0.00 -0.82 -0.19 0.00 -1.41 0.00 0.00 57.07 54.65 1pqf s TYR 58 Cb 0.00 -0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 40.27 1pqf s TYR 58 CO 0.00 -0.10 0.57 0.00 -2.51 0.00 0.00 175.55 173.51 1pqf s ALA 59 N -3.19 3.59 0.13 9.51 0.00 -0.53 -1.72 121.76 129.55 1pqf s ALA 59 Ca 0.09 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.16 1pqf s ALA 59 Cb 0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1pqf s ALA 59 CO -0.03 0.40 -0.17 0.96 0.00 0.00 0.00 175.76 176.92 1pqf s ILE 60 N -1.11 1.52 0.01 0.00 -4.36 -0.14 -0.33 121.20 116.79 1pqf s ILE 60 Ca 0.29 -1.70 -0.28 0.00 -0.26 0.00 0.00 60.65 58.70 1pqf s ILE 60 Cb -0.20 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 1pqf s ILE 60 CO 0.19 -0.30 0.88 0.00 0.24 0.00 0.00 174.94 175.95 1pqf s ALA 61 N -1.84 3.24 0.31 2.27 0.00 -1.26 -0.48 121.76 123.99 1pqf s ALA 61 Ca 0.09 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1pqf s ALA 61 Cb -0.07 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1pqf s ALA 61 CO 0.04 -0.13 0.44 0.00 0.00 0.00 0.00 175.76 176.11 1pqf s ALA 62 N 0.67 4.13 0.10 0.00 0.00 0.44 -4.69 121.76 122.41 1pqf s ALA 62 Ca 0.46 -1.37 -0.36 0.00 0.00 0.00 0.00 51.96 50.69 1pqf s ALA 62 Cb -0.21 -1.71 -0.16 0.00 0.00 0.00 0.00 23.12 21.05 1pqf s ALA 62 CO 0.25 0.05 1.34 0.39 0.00 0.00 0.00 175.76 177.80 1pqf n GLU 63 N -1.57 1.25 -1.61 0.00 1.02 -1.26 -1.76 120.64 116.71 1pqf n GLU 63 Ca -0.03 0.45 -0.51 0.00 -0.02 0.00 0.00 57.16 57.05 1pqf n GLU 63 Cb 0.58 -2.09 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1pqf n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pqf n ARG 64 N 2.51 1.38 -0.64 3.49 1.74 -1.26 -1.62 116.66 122.27 1pqf n ARG 64 Ca 0.18 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1pqf n ARG 64 Cb 0.21 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1pqf n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pqf n GLY 65 N 2.82 1.27 0.19 -0.13 0.00 -1.26 -4.90 105.19 103.17 1pqf n GLY 65 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1pqf n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pqf h SER 66 N 0.00 0.00 -1.63 1.61 4.64 -1.66 -3.47 113.55 113.04 1pqf h SER 66 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1pqf h SER 66 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1pqf h SER 66 CO 0.00 0.37 -0.44 0.54 -0.87 0.00 0.00 176.83 176.43 1pqf n ARG 67 N -3.45 -1.53 -2.37 4.77 1.74 -1.26 -4.96 116.66 109.60 1pqf n ARG 67 Ca 0.00 1.17 -0.41 0.00 -0.77 0.00 0.00 57.85 57.83 1pqf n ARG 67 Cb 0.53 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.30 1pqf n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pqf s ILE 68 N -2.86 3.66 -0.30 0.55 1.01 -1.26 -4.87 121.20 117.13 1pqf s ILE 68 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 60.65 61.98 1pqf s ILE 68 Cb 0.00 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.72 1pqf s ILE 68 CO 0.00 0.18 0.05 -0.63 0.00 0.00 0.00 174.94 174.53 1pqf s ILE 69 N 0.32 1.39 -0.22 2.92 -1.09 -1.25 -1.62 121.20 121.64 1pqf s ILE 69 Ca 0.55 -1.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.37 1pqf s ILE 69 Cb -0.32 -1.95 0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1pqf s ILE 69 CO 0.34 -0.51 -0.08 -0.55 -1.23 0.00 0.00 174.94 172.91 1pqf s SER 70 N 1.38 4.07 -0.35 3.58 0.15 -0.21 -0.34 113.70 121.98 1pqf s SER 70 Ca 0.06 -0.62 -0.09 0.00 0.70 0.00 0.00 55.95 56.00 1pqf s SER 70 Cb -0.18 -1.66 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 1pqf s SER 70 CO -0.15 -0.06 0.16 -0.69 1.20 0.00 0.00 173.24 173.70 1pqf s VAL 71 N 1.39 4.37 0.37 4.45 1.01 -0.42 -1.20 120.40 130.37 1pqf s VAL 71 Ca 0.04 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1pqf s VAL 71 Cb -0.15 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 1pqf s VAL 71 CO -0.06 -0.13 -0.04 0.20 0.00 0.00 0.00 175.10 175.07 1pqf s ASN 72 N 1.53 3.84 1.39 3.32 0.02 -0.81 -2.96 114.94 121.27 1pqf s ASN 72 Ca 0.02 -1.23 0.00 0.00 -1.02 0.00 0.00 52.86 50.63 1pqf s ASN 72 Cb -0.19 -0.39 0.00 0.00 0.02 0.00 0.00 41.25 40.70 1pqf s ASN 72 CO 0.05 -0.29 0.00 0.61 0.02 0.00 0.00 177.10 177.49 1pqf n GLY 73 N -0.88 3.15 0.39 0.66 0.00 -0.38 -2.32 105.19 105.81 1pqf n GLY 73 Ca -0.05 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.87 1pqf n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqf h ALA 74 N -0.96 2.19 0.00 4.61 0.00 -1.85 -1.27 119.26 121.98 1pqf h ALA 74 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pqf h ALA 74 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pqf h ALA 74 CO 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 179.25 178.77 1pqf h ALA 75 N 1.64 1.06 0.00 0.00 0.00 -1.79 -2.41 119.26 117.75 1pqf h ALA 75 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pqf h ALA 75 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pqf h ALA 75 CO -0.12 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1pqf h ALA 76 N 1.92 1.00 -0.04 0.00 0.00 -1.30 -2.98 119.26 117.85 1pqf h ALA 76 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pqf h ALA 76 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pqf h ALA 76 CO 0.01 0.00 0.03 0.72 0.00 0.00 0.00 179.25 180.01 1pqf n HIS 77 N -2.46 0.14 -1.14 0.00 8.25 -0.91 -4.68 115.22 114.41 1pqf n HIS 77 Ca -0.01 -0.88 -0.36 0.00 -0.26 0.00 0.00 57.72 56.21 1pqf n HIS 77 Cb 0.08 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 30.76 1pqf n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqf n ALA 79 N 1.02 -2.90 -2.41 -1.41 0.00 -1.13 -5.18 120.51 108.50 1pqf n ALA 79 Ca 0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1pqf n ALA 79 Cb 0.52 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 1pqf n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pqf s SER 80 N -0.90 3.05 0.15 0.00 0.01 -1.26 -4.90 113.70 109.84 1pqf s SER 80 Ca 0.52 -1.01 -0.34 0.00 1.31 0.00 0.00 55.95 56.43 1pqf s SER 80 Cb -0.47 -0.21 -0.14 0.00 0.21 0.00 0.00 66.02 65.41 1pqf s SER 80 CO 0.59 -0.06 1.61 0.52 0.41 0.00 0.00 173.24 176.31 1pqf n VAL 81 N -0.45 0.04 0.00 3.43 0.31 -1.26 -1.43 118.33 118.97 1pqf n VAL 81 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1pqf n VAL 81 Cb 0.60 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 1pqf n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pqf n GLY 82 N 3.52 3.42 3.75 2.92 0.00 -0.26 -5.00 105.19 113.54 1pqf n GLY 82 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pqf n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqf s ASP 83 N -0.72 5.33 -0.22 1.61 1.01 -0.52 -4.69 116.67 118.47 1pqf s ASP 83 Ca 0.00 2.58 -0.13 0.00 0.71 0.00 0.00 52.55 55.71 1pqf s ASP 83 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1pqf s ASP 83 CO 0.00 -1.51 0.25 -0.63 0.21 0.00 0.00 175.17 173.49 1pqf s ILE 84 N -1.42 5.30 0.21 0.77 -1.09 -1.26 -0.77 121.20 122.93 1pqf s ILE 84 Ca 0.73 0.40 0.08 0.00 -2.23 0.00 0.00 60.65 59.62 1pqf s ILE 84 Cb -0.36 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1pqf s ILE 84 CO 0.41 0.32 -0.14 0.68 -1.23 0.00 0.00 174.94 174.97 1pqf s VAL 85 N 1.10 1.75 -0.11 2.92 -7.23 0.32 -0.72 120.40 118.43 1pqf s VAL 85 Ca 0.12 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1pqf s VAL 85 Cb -0.14 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1pqf s VAL 85 CO 0.05 -0.58 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.41 1pqf s ILE 86 N -2.96 2.01 -0.16 -0.62 1.01 0.14 -0.31 121.20 120.32 1pqf s ILE 86 Ca 0.23 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1pqf s ILE 86 Cb -0.01 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1pqf s ILE 86 CO 0.07 0.55 -0.21 -0.63 0.00 0.00 0.00 174.94 174.72 1pqf s ILE 87 N 0.50 2.06 0.05 2.92 1.01 -0.83 -1.22 121.20 125.69 1pqf s ILE 87 Ca -0.15 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.57 1pqf s ILE 87 Cb -0.17 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1pqf s ILE 87 CO 0.05 0.55 -0.12 0.00 0.00 0.00 0.00 174.94 175.42 1pqf s ALA 88 N 1.01 0.94 0.12 9.38 0.00 -0.13 -0.53 121.76 132.55 1pqf s ALA 88 Ca -0.02 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1pqf s ALA 88 Cb -0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1pqf s ALA 88 CO -0.06 0.11 -0.24 -1.54 0.00 0.00 0.00 175.76 174.03 1pqf s SER 89 N -1.51 2.97 0.01 0.00 1.04 -0.64 -0.65 113.70 114.92 1pqf s SER 89 Ca -0.04 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 55.73 1pqf s SER 89 Cb -0.09 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 1pqf s SER 89 CO 0.01 0.12 -0.22 -0.36 0.98 0.00 0.00 173.24 173.78 1pqf s PHE 90 N -1.16 1.91 0.21 5.02 0.40 -1.26 -0.75 117.98 122.35 1pqf s PHE 90 Ca 0.11 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 1pqf s PHE 90 Cb -0.10 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1pqf s PHE 90 CO 0.05 0.02 -0.09 0.14 0.70 0.00 0.00 175.22 176.05 1pqf s VAL 91 N -0.63 1.48 0.12 -0.44 -7.23 -0.23 -4.82 120.40 108.65 1pqf s VAL 91 Ca 0.08 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1pqf s VAL 91 Cb -0.09 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1pqf s VAL 91 CO 0.00 -0.51 -0.02 0.42 -0.31 0.00 0.00 175.10 174.68 1pqf s THR 92 N -3.13 3.75 -0.05 5.32 -4.23 -1.26 -0.84 115.64 115.21 1pqf s THR 92 Ca 0.24 -1.21 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1pqf s THR 92 Cb 0.02 -2.82 0.10 0.00 1.34 0.00 0.00 72.50 71.15 1pqf s THR 92 CO 0.07 0.03 0.87 0.00 -0.54 0.00 0.00 174.62 175.05 1pqf s MET 93 N -2.51 0.82 0.83 3.99 0.23 -0.67 -4.97 119.30 117.02 1pqf s MET 93 Ca 0.25 -0.09 -0.12 0.00 -1.03 0.00 0.00 55.69 54.70 1pqf s MET 93 Cb -0.11 0.38 0.10 0.00 -1.53 0.00 0.00 34.83 33.67 1pqf s MET 93 CO 0.17 -0.32 1.17 -2.14 -2.03 0.00 0.00 175.02 171.87 1pqf s PRO 94 N -2.25 1.55 0.22 3.16 0.02 -1.26 -0.77 135.00 135.67 1pqf s PRO 94 Ca 0.00 1.60 -0.08 0.00 0.02 0.00 0.00 61.00 62.54 1pqf s PRO 94 Cb -0.01 -1.78 0.33 0.00 0.02 0.00 0.00 34.50 33.06 1pqf s PRO 94 CO -0.03 -2.25 1.71 0.22 -0.33 0.00 0.00 177.00 176.33 1pqf h ASP 95 N -1.21 0.09 -0.62 2.53 3.58 -1.86 -0.82 116.42 118.11 1pqf h ASP 95 Ca -0.45 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 1pqf h ASP 95 Cb 1.28 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.43 1pqf h ASP 95 CO 0.45 0.05 0.25 -0.08 -2.88 0.00 0.00 179.24 177.03 1pqf h GLU 96 N 0.32 0.93 -0.58 0.28 4.81 -1.91 -0.31 114.58 118.11 1pqf h GLU 96 Ca 0.34 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1pqf h GLU 96 Cb 0.50 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1pqf h GLU 96 CO -0.39 0.78 0.17 1.49 -0.73 0.00 0.00 179.01 180.33 1pqf h GLU 97 N 0.87 0.91 -0.28 1.92 4.81 -1.84 -2.84 114.58 118.13 1pqf h GLU 97 Ca 0.21 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1pqf h GLU 97 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1pqf h GLU 97 CO -0.02 0.83 0.11 0.00 -0.73 0.00 0.00 179.01 179.20 1pqf h ALA 98 N 1.04 1.68 0.00 2.92 0.00 -0.47 -1.98 119.26 122.45 1pqf h ALA 98 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pqf h ALA 98 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pqf h ALA 98 CO -0.00 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1pqf h ARG 99 N 0.38 0.00 -0.07 0.00 3.08 -0.82 -2.86 114.38 114.10 1pqf h ARG 99 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1pqf h ARG 99 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1pqf h ARG 99 CO -0.01 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.14 1pqf n THR 100 N -2.88 0.88 -2.20 2.04 -2.24 -0.81 -5.06 114.28 104.02 1pqf n THR 100 Ca 0.00 -0.94 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 1pqf n THR 100 Cb 0.25 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1pqf n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pqf s TRP 101 N -0.91 3.19 -0.20 4.78 -0.11 -0.83 -5.03 118.94 119.83 1pqf s TRP 101 Ca 0.05 1.44 0.01 0.00 1.22 0.00 0.00 56.10 58.82 1pqf s TRP 101 Cb 0.03 -3.59 0.04 0.00 -1.50 0.00 0.00 33.47 28.44 1pqf s TRP 101 CO 0.03 -1.62 -0.14 -0.98 -4.62 0.00 0.00 176.95 169.63 1pqf s ARG 102 N -1.45 2.39 0.68 5.86 1.04 -1.26 -5.06 118.95 121.15 1pqf s ARG 102 Ca 0.49 -0.91 -0.16 0.00 -1.04 0.00 0.00 55.73 54.12 1pqf s ARG 102 Cb -0.38 -2.52 0.01 0.00 -2.04 0.00 0.00 34.95 30.02 1pqf s ARG 102 CO 0.48 -0.37 1.16 -2.14 -0.04 0.00 0.00 175.30 174.39 1pqf s PRO 103 N 1.32 2.57 -0.40 3.89 0.02 -1.26 -4.99 135.00 136.15 1pqf s PRO 103 Ca -0.00 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 62.41 1pqf s PRO 103 Cb -0.16 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.48 1pqf s PRO 103 CO -0.09 -1.47 0.69 -0.80 -0.33 0.00 0.00 177.00 175.00 1pqf s ASN 104 N -2.19 6.41 0.03 2.53 0.01 -0.31 -4.91 114.94 116.51 1pqf s ASN 104 Ca 0.71 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 1pqf s ASN 104 Cb -0.25 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1pqf s ASN 104 CO 0.41 -0.73 -0.19 0.68 -1.51 0.00 0.00 177.10 175.76 1pqf s VAL 105 N 2.92 1.51 -0.02 1.60 -7.23 -1.26 -1.09 120.40 116.83 1pqf s VAL 105 Ca 0.26 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.39 1pqf s VAL 105 Cb -0.14 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1pqf s VAL 105 CO 0.18 0.19 -0.14 0.00 -0.31 0.00 0.00 175.10 175.02 1pqf s ALA 106 N -0.75 1.24 0.21 1.32 0.00 -0.79 -4.84 121.76 118.15 1pqf s ALA 106 Ca 0.06 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1pqf s ALA 106 Cb -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1pqf s ALA 106 CO 0.01 0.27 0.05 0.71 0.00 0.00 0.00 175.76 176.80 1pqf s TYR 107 N -0.19 2.88 0.05 0.00 1.51 -0.11 -0.70 117.35 120.79 1pqf s TYR 107 Ca 0.02 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 1pqf s TYR 107 Cb -0.07 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1pqf s TYR 107 CO 0.00 0.55 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.84 1pqf s PHE 108 N -1.98 0.80 0.11 2.71 0.40 -1.26 0.05 117.98 118.80 1pqf s PHE 108 Ca 0.30 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 1pqf s PHE 108 Cb -0.08 -0.47 -0.00 0.00 0.51 0.00 0.00 43.02 42.98 1pqf s PHE 108 CO 0.21 -0.06 0.22 -1.83 0.70 0.00 0.00 175.22 174.46 1pqf s GLU 109 N -1.78 0.93 5.71 0.44 -1.05 -0.56 -4.93 118.70 117.46 1pqf s GLU 109 Ca -0.07 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 1pqf s GLU 109 Cb -0.09 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1pqf s GLU 109 CO 0.00 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.32 1pqf n GLY 110 N -0.10 3.50 2.32 -3.83 0.00 -1.26 -0.65 105.19 105.16 1pqf n GLY 110 Ca -0.13 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1pqf n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pqf n ASP 111 N 5.18 7.78 -4.20 1.61 2.03 -1.26 -4.56 116.55 123.13 1pqf n ASP 111 Ca 0.00 -2.76 -0.30 0.00 0.52 0.00 0.00 54.79 52.25 1pqf n ASP 111 Cb 0.00 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 38.88 1pqf n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pqf n ASN 112 N 2.67 -0.19 -4.67 1.67 3.02 -1.14 -4.93 115.26 111.69 1pqf n ASN 112 Ca 0.66 -1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 1pqf n ASN 112 Cb 0.38 -2.25 -0.03 0.00 -0.61 0.00 0.00 39.78 37.27 1pqf n ASN 112 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pqf s GLU 113 N -7.02 4.33 -0.09 3.52 2.56 0.18 -4.88 118.70 117.30 1pqf s GLU 113 Ca 0.15 1.24 -0.17 0.00 0.00 0.00 0.00 54.97 56.19 1pqf s GLU 113 Cb -0.08 -3.58 -0.05 0.00 2.00 0.00 0.00 34.13 32.42 1pqf s GLU 113 CO 0.95 -0.40 0.45 1.41 -0.56 0.00 0.00 175.26 177.12 1pqf s MET 114 N 2.35 4.25 0.21 4.30 -2.45 -1.26 -1.50 119.30 125.20 1pqf s MET 114 Ca 0.43 0.43 0.10 0.00 -1.25 0.00 0.00 55.69 55.41 1pqf s MET 114 Cb -0.17 -3.38 -0.05 0.00 1.25 0.00 0.00 34.83 32.48 1pqf s MET 114 CO 0.13 0.30 -0.19 0.15 1.05 0.00 0.00 175.02 176.45 1pqf s LYS 115 N 0.18 1.45 0.06 4.11 -0.14 0.11 -4.99 119.74 120.52 1pqf s LYS 115 Ca 0.25 -1.58 0.02 0.00 -1.36 0.00 0.00 55.97 53.30 1pqf s LYS 115 Cb -0.15 -1.52 -0.25 0.00 -1.68 0.00 0.00 37.83 34.23 1pqf s LYS 115 CO 0.11 0.30 1.08 0.07 -0.76 0.00 0.00 175.35 176.14 1pqf h ARG 116 N 2.81 0.14 -5.07 1.68 0.11 -1.88 -0.27 114.38 111.89 1pqf h ARG 116 Ca -0.41 -0.25 -0.48 0.00 0.10 0.00 0.00 59.98 58.94 1pqf h ARG 116 Cb 1.23 0.09 -0.14 0.00 1.11 0.00 0.00 29.97 32.26 1pqf h ARG 116 CO 0.55 1.05 -0.57 0.95 0.10 0.00 0.00 179.97 182.05 1pqf s THR 117 N -2.66 0.78 -2.16 0.08 -4.23 -1.26 -4.63 115.64 101.55 1pqf s THR 117 Ca -0.03 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.78 1pqf s THR 117 Cb 0.08 -2.57 0.78 0.00 1.34 0.00 0.00 72.50 72.14 1pqf s THR 117 CO 0.85 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.99 1pqf n ALA 118 N -0.73 2.65 -0.36 3.99 0.00 -1.26 -4.42 120.51 120.38 1pqf n ALA 118 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1pqf n ALA 118 Cb 0.66 -1.40 0.16 0.00 0.00 0.00 0.00 19.45 18.87 1pqf n ALA 118 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1pqf h LYS 119 N 0.80 1.21 -0.01 0.00 5.09 -2.00 -2.28 116.57 119.37 1pqf h LYS 119 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1pqf h LYS 119 Cb 0.17 -0.27 0.00 0.00 0.10 0.00 0.00 32.23 32.23 1pqf h LYS 119 CO 0.00 0.80 -0.43 0.00 -2.09 0.00 0.00 179.45 177.72 1pqf n ALA 120 N -2.38 3.46 -2.52 0.07 0.00 -1.26 -4.94 120.51 112.93 1pqf n ALA 120 Ca 0.13 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1pqf n ALA 120 Cb 0.09 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1pqf n ALA 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pqf s ILE 121 N -2.67 4.39 0.80 0.00 -1.09 -0.86 -5.03 121.20 116.74 1pqf s ILE 121 Ca 0.18 1.74 -0.14 0.00 -2.23 0.00 0.00 60.65 60.21 1pqf s ILE 121 Cb 0.18 -4.12 0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1pqf s ILE 121 CO 0.61 0.15 1.19 -0.81 -1.23 0.00 0.00 174.94 174.84 1pqf n PRO 122 N 3.79 0.24 0.00 2.79 -0.04 -1.26 -5.08 135.00 135.44 1pqf n PRO 122 Ca 0.07 0.16 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 1pqf n PRO 122 Cb 0.48 -2.42 0.76 0.00 -0.04 0.00 0.00 33.50 32.28 1pqf n PRO 122 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74