#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd s SER 2 N 0.00 2.15 0.29 -3.46 0.15 -1.26 -5.00 113.70 106.58 1qnd s SER 2 Ca 0.00 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 54.66 1qnd s SER 2 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1qnd s SER 2 CO 0.00 -0.28 0.00 0.00 1.20 0.00 0.00 173.24 174.16 1qnd n ALA 3 N 4.06 -3.49 0.00 5.45 0.00 -1.26 -5.04 120.51 120.23 1qnd n ALA 3 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1qnd n ALA 3 Cb 0.41 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1qnd n ALA 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qnd n SER 4 N -4.33 0.00 -1.21 0.00 2.88 -0.66 -4.66 113.62 105.64 1qnd n SER 4 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1qnd n SER 4 Cb 0.64 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.08 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qnd n ASP 5 N -0.43 -4.12 -3.81 -3.46 8.00 -1.25 -4.92 116.55 106.56 1qnd n ASP 5 Ca 0.00 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1qnd n ASP 5 Cb 0.00 -3.07 -0.12 0.00 -0.02 0.00 0.00 41.12 37.91 1qnd n ASP 5 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qnd s GLY 6 N -2.62 2.36 -0.03 0.44 0.00 -1.26 -4.96 107.32 101.25 1qnd s GLY 6 Ca 0.00 -3.29 -0.20 0.00 0.00 0.00 0.00 44.72 41.23 1qnd s GLY 6 CO 0.00 1.28 0.43 -1.36 0.00 0.00 0.00 173.10 173.45 1qnd s PHE 7 N -0.64 -0.33 -1.33 1.90 0.40 -1.26 -4.89 117.98 111.83 1qnd s PHE 7 Ca 0.23 0.55 0.23 0.00 -0.60 0.00 0.00 56.93 57.34 1qnd s PHE 7 Cb -0.12 0.19 1.12 0.00 0.51 0.00 0.00 43.02 44.72 1qnd s PHE 7 CO -0.10 -0.45 1.75 1.17 0.70 0.00 0.00 175.22 178.29 1qnd n LYS 8 N 1.20 0.25 0.21 0.44 4.81 -1.26 -1.16 118.16 122.66 1qnd n LYS 8 Ca -0.21 0.08 0.15 0.00 -0.87 0.00 0.00 58.31 57.46 1qnd n LYS 8 Cb 0.56 -1.50 0.74 0.00 0.02 0.00 0.00 35.03 34.85 1qnd n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qnd h ALA 9 N 3.02 1.00 0.77 3.14 0.00 -1.96 -3.38 119.26 121.86 1qnd h ALA 9 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1qnd h ALA 9 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qnd h ALA 9 CO 0.00 0.00 -0.42 -0.97 0.00 0.00 0.00 179.25 177.86 1qnd h ASN 10 N 0.00 -1.02 0.11 0.00 -0.73 -1.51 -0.33 115.58 112.10 1qnd h ASN 10 Ca 0.00 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 1qnd h ASN 10 Cb 0.09 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1qnd h ASN 10 CO 0.00 -0.68 -0.18 0.17 -0.37 0.00 0.00 177.43 176.37 1qnd h LEU 11 N -1.10 0.15 0.23 0.34 -0.00 -1.81 -1.70 115.31 111.41 1qnd h LEU 11 Ca -0.10 -0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1qnd h LEU 11 Cb 0.86 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.45 1qnd h LEU 11 CO 0.14 0.35 -0.33 0.58 -0.00 0.00 0.00 178.44 179.18 1qnd h VAL 12 N 0.15 0.31 0.00 0.15 2.07 -1.64 -1.20 116.25 116.09 1qnd h VAL 12 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1qnd h VAL 12 Cb 0.42 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1qnd h VAL 12 CO 0.03 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 177.09 1qnd h PHE 13 N -0.62 0.00 0.00 1.57 0.04 -0.78 -2.65 116.94 114.49 1qnd h PHE 13 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1qnd h PHE 13 Cb 0.60 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1qnd h PHE 13 CO -0.24 0.27 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.27 1qnd h LYS 14 N 0.00 0.00 -0.25 1.51 3.64 -0.86 -1.40 116.57 119.21 1qnd h LYS 14 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1qnd h LYS 14 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1qnd h LYS 14 CO 0.04 0.25 -0.18 1.05 -2.27 0.00 0.00 179.45 178.34 1qnd h GLU 15 N 0.00 0.57 -0.13 1.90 -0.00 -0.85 0.33 114.58 116.39 1qnd h GLU 15 Ca -0.00 -0.27 0.05 0.00 -0.00 0.00 0.00 59.36 59.13 1qnd h GLU 15 Cb 0.70 -0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.38 1qnd h GLU 15 CO 0.03 0.85 -0.29 0.82 -0.00 0.00 0.00 179.01 180.43 1qnd h ILE 16 N 0.29 0.34 -0.27 -1.06 2.04 -1.53 -1.78 117.51 115.54 1qnd h ILE 16 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1qnd h ILE 16 Cb 0.71 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1qnd h ILE 16 CO 0.05 0.00 0.07 -0.08 0.00 0.00 0.00 178.15 178.19 1qnd h GLU 17 N -0.36 0.18 -0.43 2.37 4.81 -1.12 -1.35 114.58 118.67 1qnd h GLU 17 Ca 0.10 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1qnd h GLU 17 Cb 0.51 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1qnd h GLU 17 CO -0.34 0.12 0.17 -0.22 -0.73 0.00 0.00 179.01 178.02 1qnd h LYS 18 N 0.18 0.35 -0.48 1.92 3.64 0.45 0.17 116.57 122.80 1qnd h LYS 18 Ca 0.12 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1qnd h LYS 18 Cb 0.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1qnd h LYS 18 CO -0.14 0.23 0.01 -0.22 -2.27 0.00 0.00 179.45 177.05 1qnd h LYS 19 N 0.36 0.84 -0.62 1.90 1.63 -1.23 -1.82 116.57 117.63 1qnd h LYS 19 Ca 0.20 -0.26 0.13 0.00 -0.85 0.00 0.00 60.65 59.87 1qnd h LYS 19 Cb 0.16 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1qnd h LYS 19 CO -0.18 0.88 0.42 1.25 -3.45 0.00 0.00 179.45 178.38 1qnd h LEU 20 N 0.70 0.24 0.12 5.20 6.46 0.03 0.44 115.31 128.50 1qnd h LEU 20 Ca 0.14 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1qnd h LEU 20 Cb 0.50 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1qnd h LEU 20 CO 0.02 0.13 -0.06 -0.33 -0.62 0.00 0.00 178.44 177.59 1qnd h GLU 21 N 0.26 -0.15 -0.82 1.25 4.39 -0.34 -0.60 114.58 118.57 1qnd h GLU 21 Ca 0.30 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1qnd h GLU 21 Cb 0.80 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1qnd h GLU 21 CO -0.06 0.29 0.42 0.93 -1.16 0.00 0.00 179.01 179.42 1qnd h GLU 22 N -0.66 1.16 0.00 2.33 5.08 -0.60 -3.39 114.58 118.50 1qnd h GLU 22 Ca -0.02 -0.16 -0.23 0.00 -1.00 0.00 0.00 59.36 57.96 1qnd h GLU 22 Cb 0.51 -0.22 -0.15 0.00 0.50 0.00 0.00 28.75 29.39 1qnd h GLU 22 CO 0.03 0.88 -0.41 -1.91 -1.00 0.00 0.00 179.01 176.60 1qnd n GLU 23 N -4.36 0.96 0.16 2.33 2.13 0.08 -4.98 120.64 116.95 1qnd n GLU 23 Ca 0.08 -1.85 0.01 0.00 0.66 0.00 0.00 57.16 56.06 1qnd n GLU 23 Cb 0.12 -0.99 0.27 0.00 0.27 0.00 0.00 31.44 31.10 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qnd h GLY 24 N 2.99 0.00 0.53 8.31 0.00 -1.12 -3.34 103.07 110.44 1qnd h GLY 24 Ca -0.12 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.42 1qnd h GLY 24 CO 0.13 0.00 0.54 1.05 0.00 0.00 0.00 176.54 178.26 1qnd h GLU 25 N 0.00 0.00 0.13 4.80 4.11 -1.69 0.19 114.58 122.12 1qnd h GLU 25 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 1qnd h GLU 25 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1qnd h GLU 25 CO 0.06 0.00 -1.24 0.37 0.07 0.00 0.00 179.01 178.28 1qnd h GLN 26 N 0.00 0.28 0.00 1.06 4.15 -1.89 -3.29 115.11 115.41 1qnd h GLN 26 Ca 0.34 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1qnd h GLN 26 Cb 1.41 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.27 1qnd h GLN 26 CO -0.00 1.22 -0.03 0.74 -1.93 0.00 0.00 178.83 178.83 1qnd h PHE 27 N 0.08 0.00 -0.64 3.99 0.04 -0.86 -2.98 116.94 116.57 1qnd h PHE 27 Ca -0.13 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.74 1qnd h PHE 27 Cb 1.97 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 40.04 1qnd h PHE 27 CO 0.06 0.00 0.23 0.28 -0.60 0.00 0.00 178.31 178.28 1qnd h VAL 28 N 0.00 0.73 0.00 -0.55 2.07 -1.42 -1.59 116.25 115.49 1qnd h VAL 28 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1qnd h VAL 28 Cb 0.97 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1qnd h VAL 28 CO 0.00 0.07 0.00 0.07 0.02 0.00 0.00 177.57 177.73 1qnd h LYS 29 N 0.39 0.00 0.21 1.57 2.10 -1.65 -0.26 116.57 118.93 1qnd h LYS 29 Ca 0.33 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.97 1qnd h LYS 29 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1qnd h LYS 29 CO -0.34 0.00 -0.10 0.87 -2.00 0.00 0.00 179.45 177.88 1qnd h LYS 30 N 0.00 -0.27 0.05 0.07 1.79 -1.39 -3.42 116.57 113.41 1qnd h LYS 30 Ca 0.00 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1qnd h LYS 30 Cb 0.51 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1qnd h LYS 30 CO 0.00 -0.18 -0.02 0.82 -1.08 0.00 0.00 179.45 178.98 1qnd h ILE 31 N -0.56 0.68 -6.12 1.86 1.08 -1.34 -3.49 117.51 109.62 1qnd h ILE 31 Ca -0.03 -1.40 -0.36 0.00 -0.39 0.00 0.00 64.86 62.68 1qnd h ILE 31 Cb 0.21 1.26 0.06 0.00 -3.07 0.00 0.00 36.82 35.29 1qnd h ILE 31 CO 0.05 0.22 -0.80 0.61 -0.69 0.00 0.00 178.15 177.54 1qnd n GLY 32 N 1.45 -1.10 3.82 5.37 0.00 -0.12 -4.80 105.19 109.81 1qnd n GLY 32 Ca -0.05 0.49 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 1qnd n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qnd s GLY 33 N -3.30 -0.02 -0.22 -0.02 0.00 -0.55 -4.86 107.32 98.34 1qnd s GLY 33 Ca 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 1qnd s GLY 33 CO 0.84 0.26 -0.02 -0.42 0.00 0.00 0.00 173.10 173.76 1qnd s ILE 34 N -3.13 3.66 0.24 0.90 1.09 -1.26 -1.12 121.20 121.58 1qnd s ILE 34 Ca 0.14 -0.40 0.04 0.00 -1.10 0.00 0.00 60.65 59.33 1qnd s ILE 34 Cb -0.04 -2.67 -0.05 0.00 -1.06 0.00 0.00 42.46 38.64 1qnd s ILE 34 CO 0.06 0.41 -0.00 0.72 -0.10 0.00 0.00 174.94 176.03 1qnd s PHE 35 N 1.36 1.63 0.30 3.97 -0.71 -0.84 -0.83 117.98 122.87 1qnd s PHE 35 Ca 0.04 -0.91 0.04 0.00 -1.04 0.00 0.00 56.93 55.06 1qnd s PHE 35 Cb -0.14 -0.96 -0.06 0.00 -1.21 0.00 0.00 43.02 40.65 1qnd s PHE 35 CO -0.01 -0.01 0.04 0.00 -1.34 0.00 0.00 175.22 173.91 1qnd s ALA 36 N -3.38 2.20 -0.42 1.99 0.00 -0.83 -0.18 121.76 121.15 1qnd s ALA 36 Ca 0.29 -1.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.27 1qnd s ALA 36 Cb 0.06 0.64 0.11 0.00 0.00 0.00 0.00 23.12 23.93 1qnd s ALA 36 CO 0.10 -0.30 0.19 -0.06 0.00 0.00 0.00 175.76 175.68 1qnd s PHE 37 N -3.35 3.60 -1.00 0.00 0.08 -0.34 -1.38 117.98 115.60 1qnd s PHE 37 Ca 0.35 -2.67 -0.21 0.00 0.12 0.00 0.00 56.93 54.52 1qnd s PHE 37 Cb 0.08 -3.11 0.08 0.00 -0.57 0.00 0.00 43.02 39.50 1qnd s PHE 37 CO 0.14 -0.94 1.33 0.21 -0.10 0.00 0.00 175.22 175.86 1qnd s LYS 38 N 0.87 3.61 -0.17 0.44 2.47 -0.30 -3.57 119.74 123.09 1qnd s LYS 38 Ca 0.10 -1.42 -0.24 0.00 -1.56 0.00 0.00 55.97 52.86 1qnd s LYS 38 Cb -0.22 -5.19 -0.02 0.00 -1.46 0.00 0.00 37.83 30.95 1qnd s LYS 38 CO -0.05 -2.03 0.75 0.08 0.16 0.00 0.00 175.35 174.26 1qnd s VAL 39 N 4.00 4.94 0.28 4.02 1.01 -0.65 -3.02 120.40 130.98 1qnd s VAL 39 Ca 0.41 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1qnd s VAL 39 Cb -0.02 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1qnd s VAL 39 CO -0.09 0.07 0.10 2.29 0.00 0.00 0.00 175.10 177.47 1qnd n LYS 40 N 5.07 1.22 -3.80 2.72 2.85 -1.26 -2.01 118.16 122.94 1qnd n LYS 40 Ca 0.02 -1.87 -0.33 0.00 -1.05 0.00 0.00 58.31 55.08 1qnd n LYS 40 Cb 0.49 0.36 0.03 0.00 -0.65 0.00 0.00 35.03 35.26 1qnd n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1qnd n ASP 41 N -1.53 -4.23 -3.20 -5.58 -0.08 -1.16 -0.63 116.55 100.15 1qnd n ASP 41 Ca -0.06 -1.07 -0.22 0.00 -1.51 0.00 0.00 54.79 51.92 1qnd n ASP 41 Cb 0.33 -3.00 0.20 0.00 2.34 0.00 0.00 41.12 41.00 1qnd n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qnd n GLY 42 N -1.82 -3.43 0.00 0.27 0.00 -1.20 -3.83 105.19 95.18 1qnd n GLY 42 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1qnd n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qnd n PRO 43 N -4.47 0.01 0.00 1.61 -0.04 -1.26 -2.16 135.00 128.69 1qnd n PRO 43 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1qnd n PRO 43 Cb 0.44 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 44 N -0.61 0.00 0.00 0.55 0.00 -1.26 -5.04 105.19 98.83 1qnd n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qnd n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 45 N 1.20 0.57 1.83 -0.02 0.00 -0.92 -5.07 105.19 102.78 1qnd n GLY 45 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N 0.00 -3.36 -4.53 1.61 5.02 -1.26 -4.21 118.16 111.43 1qnd n LYS 46 Ca 0.00 -0.86 -0.25 0.00 -2.02 0.00 0.00 58.31 55.18 1qnd n LYS 46 Cb 0.00 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1qnd s GLU 47 N -4.22 1.79 0.17 1.97 -1.05 -1.26 -2.96 118.70 113.13 1qnd s GLU 47 Ca 0.38 -1.93 -0.12 0.00 -0.15 0.00 0.00 54.97 53.16 1qnd s GLU 47 Cb -0.06 -1.61 0.00 0.00 -0.44 0.00 0.00 34.13 32.03 1qnd s GLU 47 CO 0.32 0.11 0.36 0.00 0.95 0.00 0.00 175.26 176.99 1qnd s ALA 48 N -2.69 -0.30 -0.06 -0.84 0.00 -0.85 -1.65 121.76 115.37 1qnd s ALA 48 Ca 0.32 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1qnd s ALA 48 Cb 0.03 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1qnd s ALA 48 CO 0.16 -0.69 0.24 0.99 0.00 0.00 0.00 175.76 176.46 1qnd s THR 49 N -3.93 0.03 -0.10 0.00 2.01 -1.26 -1.63 115.64 110.75 1qnd s THR 49 Ca 0.14 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1qnd s THR 49 Cb 0.02 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1qnd s THR 49 CO -0.01 -0.13 -0.16 0.26 -0.69 0.00 0.00 174.62 173.88 1qnd s TRP 50 N -0.49 2.70 -0.14 4.92 0.51 -1.23 -3.73 118.94 121.48 1qnd s TRP 50 Ca -0.06 -0.59 -0.07 0.00 -2.12 0.00 0.00 56.10 53.26 1qnd s TRP 50 Cb -0.04 -1.74 -0.04 0.00 -0.81 0.00 0.00 33.47 30.84 1qnd s TRP 50 CO 0.01 -0.15 0.11 0.08 -0.51 0.00 0.00 176.95 176.50 1qnd s VAL 51 N 0.03 5.24 -0.23 4.03 1.01 -0.71 -1.20 120.40 128.57 1qnd s VAL 51 Ca -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1qnd s VAL 51 Cb -0.15 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1qnd s VAL 51 CO 0.05 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 174.92 1qnd s VAL 52 N -0.48 2.78 -0.31 2.92 1.01 0.75 -0.64 120.40 126.43 1qnd s VAL 52 Ca 0.11 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1qnd s VAL 52 Cb -0.12 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1qnd s VAL 52 CO 0.02 0.32 0.66 -0.62 0.00 0.00 0.00 175.10 175.48 1qnd s ASP 53 N 1.35 6.52 -0.34 3.32 -1.08 0.18 -1.98 116.67 124.64 1qnd s ASP 53 Ca 0.02 0.45 0.16 0.00 -0.52 0.00 0.00 52.55 52.66 1qnd s ASP 53 Cb -0.15 -2.35 0.44 0.00 -1.46 0.00 0.00 42.92 39.40 1qnd s ASP 53 CO -0.06 -0.52 0.93 1.33 0.52 0.00 0.00 175.17 177.37 1qnd n VAL 54 N 5.44 0.92 0.04 1.11 0.24 -0.27 -1.75 118.33 124.07 1qnd n VAL 54 Ca -0.00 -3.41 0.00 0.00 -2.04 0.00 0.00 64.34 58.89 1qnd n VAL 54 Cb 0.49 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 1qnd n VAL 54 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1qnd n LYS 55 N -0.04 0.00 -2.50 7.34 4.81 -1.12 -1.49 118.16 125.16 1qnd n LYS 55 Ca 0.13 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.14 1qnd n LYS 55 Cb 0.78 -0.16 -0.02 0.00 0.02 0.00 0.00 35.03 35.65 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qnd s ASN 56 N -5.12 6.56 0.50 3.14 0.02 -1.26 -4.82 114.94 113.97 1qnd s ASN 56 Ca 0.00 0.73 0.00 0.00 -1.02 0.00 0.00 52.86 52.57 1qnd s ASN 56 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.73 1qnd s ASN 56 CO 0.00 -1.26 0.00 0.61 0.02 0.00 0.00 177.10 176.47 1qnd n GLY 57 N 4.78 0.19 0.00 0.66 0.00 -1.26 -3.37 105.19 106.19 1qnd n GLY 57 Ca 0.14 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.26 1qnd n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 58 N 0.00 0.75 0.00 1.61 5.02 -1.26 -4.89 118.16 119.39 1qnd n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1qnd n LYS 58 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnd n GLY 59 N 0.26 0.31 3.57 0.72 0.00 -1.22 -2.16 105.19 106.68 1qnd n GLY 59 Ca 0.01 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 1qnd n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qnd s SER 60 N -1.48 -0.21 0.25 1.61 0.01 -0.72 -4.89 113.70 108.27 1qnd s SER 60 Ca 0.00 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.36 1qnd s SER 60 Cb 0.00 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1qnd s SER 60 CO 0.00 -0.32 0.38 -0.69 0.41 0.00 0.00 173.24 173.01 1qnd s VAL 61 N -2.33 5.17 -0.37 3.43 1.01 -1.26 -0.65 120.40 125.40 1qnd s VAL 61 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1qnd s VAL 61 Cb -0.01 -3.83 0.15 0.00 0.00 0.00 0.00 36.38 32.69 1qnd s VAL 61 CO -0.05 -0.33 0.27 -0.76 0.00 0.00 0.00 175.10 174.23 1qnd s LEU 62 N -4.01 0.87 0.38 3.92 1.43 0.18 -4.92 118.68 116.54 1qnd s LEU 62 Ca 0.35 -2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 50.94 1qnd s LEU 62 Cb -0.09 -0.22 -0.10 0.00 0.03 0.00 0.00 46.19 45.80 1qnd s LEU 62 CO 0.29 -0.27 0.93 -2.16 0.23 0.00 0.00 176.35 175.38 1qnd s PRO 63 N 0.89 4.33 -1.24 1.29 0.04 -1.26 -1.74 135.00 137.31 1qnd s PRO 63 Ca 0.21 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1qnd s PRO 63 Cb -0.15 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1qnd s PRO 63 CO -0.04 0.10 0.00 0.09 0.04 0.00 0.00 177.00 177.18 1qnd n ASN 64 N -0.19 -3.84 -4.87 6.66 4.13 -1.24 -4.93 115.26 110.98 1qnd n ASN 64 Ca 0.05 0.24 -0.34 0.00 1.68 0.00 0.00 54.58 56.21 1qnd n ASN 64 Cb 0.53 -3.38 -0.05 0.00 -1.54 0.00 0.00 39.78 35.33 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1qnd s SER 65 N -2.07 6.67 0.12 6.41 0.15 -1.25 -5.00 113.70 118.73 1qnd s SER 65 Ca 0.00 0.88 0.14 0.00 0.70 0.00 0.00 55.95 57.67 1qnd s SER 65 Cb 0.00 -2.21 -0.10 0.00 -1.71 0.00 0.00 66.02 62.00 1qnd s SER 65 CO 0.00 0.08 1.04 -0.78 1.20 0.00 0.00 173.24 174.78 1qnd h ASP 66 N 3.28 0.00 -1.72 5.45 3.58 -1.93 -3.47 116.42 121.61 1qnd h ASP 66 Ca -0.48 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.28 1qnd h ASP 66 Cb 1.18 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.25 1qnd h ASP 66 CO 0.68 0.67 0.93 0.29 -2.88 0.00 0.00 179.24 178.93 1qnd n LYS 67 N -3.07 1.49 -0.87 0.28 5.02 -1.26 -4.91 118.16 114.84 1qnd n LYS 67 Ca -0.06 0.55 -0.25 0.00 -2.02 0.00 0.00 58.31 56.53 1qnd n LYS 67 Cb 0.85 -2.28 0.20 0.00 -0.02 0.00 0.00 35.03 33.79 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qnd n LYS 68 N 5.54 -2.72 -4.05 1.97 2.85 -1.26 -4.98 118.16 115.51 1qnd n LYS 68 Ca 0.25 -1.44 -0.08 0.00 -1.05 0.00 0.00 58.31 55.99 1qnd n LYS 68 Cb 0.19 -1.34 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 1qnd n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qnd s ALA 69 N -3.04 0.36 0.29 0.58 0.00 -1.26 -4.97 121.76 113.72 1qnd s ALA 69 Ca 0.58 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.62 1qnd s ALA 69 Cb -0.06 0.23 0.43 0.00 0.00 0.00 0.00 23.12 23.73 1qnd s ALA 69 CO 0.45 -0.30 1.69 0.38 0.00 0.00 0.00 175.76 177.97 1qnd h ASP 70 N 3.64 0.26 -5.19 0.00 3.04 -1.37 -3.47 116.42 113.34 1qnd h ASP 70 Ca -0.33 -0.11 -0.06 0.00 -3.24 0.00 0.00 57.03 53.28 1qnd h ASP 70 Cb 1.16 -0.07 -0.06 0.00 -1.04 0.00 0.00 39.33 39.32 1qnd h ASP 70 CO 0.57 0.66 0.04 0.00 -2.04 0.00 0.00 179.24 178.47 1qnd s THR 72 N -3.39 -0.79 0.45 0.00 2.01 -1.26 -1.96 115.64 110.70 1qnd s THR 72 Ca 0.20 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 1qnd s THR 72 Cb -0.03 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.62 1qnd s THR 72 CO 0.11 0.04 0.85 -0.51 -0.69 0.00 0.00 174.62 174.43 1qnd s ILE 73 N 2.73 4.71 -0.23 1.82 2.07 -0.48 -4.38 121.20 127.44 1qnd s ILE 73 Ca -0.03 0.81 -0.10 0.00 -1.41 0.00 0.00 60.65 59.91 1qnd s ILE 73 Cb -0.12 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.68 1qnd s ILE 73 CO -0.15 -0.62 0.14 -0.89 -1.91 0.00 0.00 174.94 171.51 1qnd s THR 74 N -2.51 5.25 -0.29 4.00 2.01 -1.26 -1.16 115.64 121.69 1qnd s THR 74 Ca 0.54 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 62.53 1qnd s THR 74 Cb -0.10 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 69.10 1qnd s THR 74 CO 0.33 0.38 0.84 0.00 -0.69 0.00 0.00 174.62 175.47 1qnd s MET 75 N 0.87 0.50 1.06 4.92 0.23 -1.17 -4.65 119.30 121.06 1qnd s MET 75 Ca 0.07 0.97 -0.17 0.00 -1.03 0.00 0.00 55.69 55.53 1qnd s MET 75 Cb -0.13 0.28 0.06 0.00 -1.53 0.00 0.00 34.83 33.52 1qnd s MET 75 CO 0.03 -0.12 0.00 0.00 -2.03 0.00 0.00 175.02 172.89 1qnd n ALA 76 N 4.39 -3.86 0.11 3.16 0.00 -1.26 -3.88 120.51 119.17 1qnd n ALA 76 Ca -0.16 -1.08 -0.12 0.00 0.00 0.00 0.00 53.44 52.07 1qnd n ALA 76 Cb 0.56 -1.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1qnd n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qnd h ASP 77 N -1.83 -0.48 0.12 0.00 3.58 -0.97 0.23 116.42 117.06 1qnd h ASP 77 Ca -0.50 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1qnd h ASP 77 Cb 1.34 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1qnd h ASP 77 CO 0.36 -0.26 0.00 -0.24 -2.88 0.00 0.00 179.24 176.22 1qnd n SER 78 N -5.30 0.00 -0.08 2.28 2.88 -1.25 -0.31 113.62 111.83 1qnd n SER 78 Ca -0.07 0.08 -0.16 0.00 -1.33 0.00 0.00 58.87 57.39 1qnd n SER 78 Cb 0.22 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qnd n ASP 79 N -1.23 1.56 0.02 -3.46 -0.08 -0.68 -3.83 116.55 108.85 1qnd n ASP 79 Ca 0.04 0.26 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1qnd n ASP 79 Cb 0.06 -0.62 -0.06 0.00 2.34 0.00 0.00 41.12 42.84 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1qnd h PHE 80 N -0.74 -1.13 -0.17 -0.67 0.04 -0.25 0.72 116.94 114.74 1qnd h PHE 80 Ca -0.32 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.54 1qnd h PHE 80 Cb 1.17 0.51 -0.05 0.00 2.20 0.00 0.00 35.95 39.78 1qnd h PHE 80 CO -0.17 -0.47 -0.15 1.25 -0.60 0.00 0.00 178.31 178.18 1qnd h LEU 81 N -0.50 -0.47 -2.45 1.54 5.85 -0.90 -0.78 115.31 117.61 1qnd h LEU 81 Ca 0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1qnd h LEU 81 Cb 0.62 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1qnd h LEU 81 CO -0.36 -0.19 -0.03 0.00 -0.34 0.00 0.00 178.44 177.52 1qnd h ALA 82 N 0.94 1.32 0.05 1.25 0.00 -1.54 0.21 119.26 121.49 1qnd h ALA 82 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qnd h ALA 82 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qnd h ALA 82 CO -0.27 0.03 -0.03 1.25 0.00 0.00 0.00 179.25 180.24 1qnd h LEU 83 N 0.00 -0.06 -0.39 0.00 5.85 0.56 0.24 115.31 121.50 1qnd h LEU 83 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1qnd h LEU 83 Cb 0.09 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1qnd h LEU 83 CO 0.00 0.13 -0.80 0.00 -0.34 0.00 0.00 178.44 177.43 1qnd h MET 84 N -0.42 0.19 0.00 1.25 -0.00 -1.32 -1.05 114.93 113.58 1qnd h MET 84 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1qnd h MET 84 Cb 0.06 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1qnd h MET 84 CO 0.01 0.89 0.00 2.41 -0.00 0.00 0.00 176.91 180.22 1qnd n THR 85 N -3.71 0.00 -3.24 -0.10 -1.04 0.06 -4.50 114.28 101.74 1qnd n THR 85 Ca -0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.82 1qnd n THR 85 Cb 0.76 -0.54 0.07 0.00 -1.82 0.00 0.00 70.33 68.79 1qnd n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qnd n GLY 86 N 0.44 -0.21 0.12 3.41 0.00 -0.40 -4.71 105.19 103.84 1qnd n GLY 86 Ca 0.15 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1qnd n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qnd h LYS 87 N -1.81 0.34 0.00 1.61 3.64 -0.74 -3.41 116.57 116.20 1qnd h LYS 87 Ca -0.45 -0.59 -0.16 0.00 -1.27 0.00 0.00 60.65 58.18 1qnd h LYS 87 Cb 1.28 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 1qnd h LYS 87 CO 0.42 1.27 -0.14 0.00 -2.27 0.00 0.00 179.45 178.73 1qnd n MET 88 N -3.57 0.19 -1.61 1.90 0.00 -1.07 -5.07 117.12 107.90 1qnd n MET 88 Ca -0.12 -1.22 -0.50 0.00 0.00 0.00 0.00 57.70 55.87 1qnd n MET 88 Cb 1.05 1.05 -0.06 0.00 0.00 0.00 0.00 33.22 35.26 1qnd n MET 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1qnd n ASN 89 N -2.32 2.92 -1.77 3.17 2.85 -1.26 -4.84 115.26 114.00 1qnd n ASN 89 Ca 0.02 0.74 -0.07 0.00 -0.11 0.00 0.00 54.58 55.15 1qnd n ASN 89 Cb 0.23 -1.33 -0.06 0.00 1.24 0.00 0.00 39.78 39.86 1qnd n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1qnd n PRO 90 N 7.19 1.51 -1.68 1.20 -0.04 -1.26 -2.66 135.00 139.27 1qnd n PRO 90 Ca 0.29 -0.64 -0.04 0.00 -0.04 0.00 0.00 63.50 63.08 1qnd n PRO 90 Cb 0.27 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1qnd n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qnd n GLN 91 N 1.72 0.53 -0.20 0.54 10.64 -1.26 -4.65 117.38 124.70 1qnd n GLN 91 Ca 0.21 -1.33 0.19 0.00 -1.83 0.00 0.00 57.00 54.24 1qnd n GLN 91 Cb 0.66 0.29 0.54 0.00 -0.86 0.00 0.00 30.24 30.87 1qnd n GLN 91 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1qnd h SER 92 N 0.57 0.34 -0.84 2.61 0.87 -1.90 0.82 113.55 116.04 1qnd h SER 92 Ca -0.47 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.22 1qnd h SER 92 Cb 1.42 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 1qnd h SER 92 CO -0.19 0.15 0.54 0.00 -0.53 0.00 0.00 176.83 176.81 1qnd h ALA 93 N 1.62 1.72 0.09 6.23 0.00 -1.91 0.91 119.26 127.93 1qnd h ALA 93 Ca 0.42 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.07 1qnd h ALA 93 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1qnd h ALA 93 CO -0.13 0.10 -1.36 0.35 0.00 0.00 0.00 179.25 178.20 1qnd h PHE 94 N 0.78 0.36 -0.66 0.00 3.04 -1.27 -2.14 116.94 117.05 1qnd h PHE 94 Ca 0.39 -0.26 0.02 0.00 3.98 0.00 0.00 57.97 62.09 1qnd h PHE 94 Cb 0.45 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.91 1qnd h PHE 94 CO -0.00 1.53 0.42 0.35 -2.02 0.00 0.00 178.31 178.60 1qnd h PHE 95 N -0.41 0.80 0.00 0.41 3.57 -0.77 0.69 116.94 121.23 1qnd h PHE 95 Ca -0.30 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1qnd h PHE 95 Cb 1.68 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1qnd h PHE 95 CO 0.13 0.48 0.00 1.96 -2.23 0.00 0.00 178.31 178.65 1qnd h GLN 96 N 0.85 0.00 -5.75 1.11 4.20 -1.03 -3.48 115.11 111.01 1qnd h GLN 96 Ca 0.25 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.60 1qnd h GLN 96 Cb -0.04 0.00 0.15 0.00 0.30 0.00 0.00 27.48 27.89 1qnd h GLN 96 CO -0.08 0.00 -0.73 0.41 -0.67 0.00 0.00 178.83 177.76 1qnd n GLY 97 N 0.95 -0.44 0.00 3.46 0.00 0.23 -4.98 105.19 104.41 1qnd n GLY 97 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1qnd n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 98 N -4.52 0.00 -2.70 1.61 4.76 -0.82 -4.89 118.16 111.60 1qnd n LYS 98 Ca -0.16 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.22 1qnd n LYS 98 Cb 0.62 -0.62 0.09 0.00 -1.84 0.00 0.00 35.03 33.28 1qnd n LYS 98 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1qnd n LEU 99 N -0.29 -1.88 -4.78 -0.35 -0.00 -1.26 -5.14 117.00 103.30 1qnd n LEU 99 Ca 0.00 -3.02 -0.35 0.00 -0.00 0.00 0.00 56.01 52.63 1qnd n LEU 99 Cb 0.00 0.78 -0.02 0.00 -0.00 0.00 0.00 43.42 44.18 1qnd n LEU 99 CO 0.00 1.84 0.75 -1.59 -0.00 0.00 0.00 177.39 178.39 1qnd s LYS 100 N 0.18 3.74 0.34 1.47 0.00 -1.26 -4.06 119.74 120.15 1qnd s LYS 100 Ca 0.20 1.51 0.03 0.00 0.00 0.00 0.00 55.97 57.72 1qnd s LYS 100 Cb 0.29 -2.19 -0.05 0.00 0.00 0.00 0.00 37.83 35.88 1qnd s LYS 100 CO -0.09 -0.51 0.10 0.42 0.00 0.00 0.00 175.35 175.26 1qnd s ILE 101 N -1.81 0.82 -0.11 3.79 1.09 -1.26 -4.87 121.20 118.85 1qnd s ILE 101 Ca 0.67 -2.00 -0.21 0.00 -1.10 0.00 0.00 60.65 58.01 1qnd s ILE 101 Cb -0.21 -2.60 0.05 0.00 -1.06 0.00 0.00 42.46 38.64 1qnd s ILE 101 CO 0.25 0.00 0.52 0.42 -0.10 0.00 0.00 174.94 176.03 1qnd s THR 102 N -3.36 0.01 -0.19 2.92 -4.23 -1.26 -4.44 115.64 105.08 1qnd s THR 102 Ca 0.32 -0.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.89 1qnd s THR 102 Cb 0.06 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.16 1qnd s THR 102 CO 0.15 -0.07 1.25 1.23 -0.54 0.00 0.00 174.62 176.65 1qnd h GLY 103 N 4.33 0.00 -4.37 3.99 0.00 -1.93 -3.44 103.07 101.65 1qnd h GLY 103 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1qnd h GLY 103 CO 0.28 0.00 0.02 0.21 0.00 0.00 0.00 176.54 177.06 1qnd s ASN 104 N -6.11 -0.53 0.18 0.19 2.47 -1.26 -4.94 114.94 104.94 1qnd s ASN 104 Ca 0.02 0.65 -0.32 0.00 0.42 0.00 0.00 52.86 53.63 1qnd s ASN 104 Cb 0.08 0.62 -0.11 0.00 -1.45 0.00 0.00 41.25 40.39 1qnd s ASN 104 CO 0.76 -0.48 1.62 -0.04 -3.72 0.00 0.00 177.10 175.23 1qnd s MET 105 N -0.91 4.19 0.00 0.43 -1.94 -1.26 -4.57 119.30 115.23 1qnd s MET 105 Ca -0.09 2.44 0.00 0.00 -1.71 0.00 0.00 55.69 56.33 1qnd s MET 105 Cb -0.02 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1qnd s MET 105 CO 0.07 -0.65 0.00 0.41 -0.01 0.00 0.00 175.02 174.84 1qnd n GLY 106 N 3.78 0.35 1.70 -0.03 0.00 -1.26 -5.06 105.19 104.68 1qnd n GLY 106 Ca 0.14 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 1qnd n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qnd n LEU 107 N 0.00 -0.29 0.05 0.99 -0.00 -1.26 -4.85 117.00 111.64 1qnd n LEU 107 Ca 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 56.01 56.11 1qnd n LEU 107 Cb 0.00 -1.22 -0.01 0.00 -0.00 0.00 0.00 43.42 42.19 1qnd n LEU 107 CO 0.00 -0.34 0.26 0.00 -0.00 0.00 0.00 177.39 177.31 1qnd h ALA 108 N 1.04 -0.54 0.00 1.47 0.00 -1.96 -3.45 119.26 115.82 1qnd h ALA 108 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qnd h ALA 108 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qnd h ALA 108 CO 0.15 -0.53 0.00 -0.12 0.00 0.00 0.00 179.25 178.75 1qnd n MET 109 N -2.66 0.55 0.00 0.00 1.56 -1.26 -4.76 117.12 110.55 1qnd n MET 109 Ca -0.02 -0.10 -0.06 0.00 -0.27 0.00 0.00 57.70 57.25 1qnd n MET 109 Cb 0.06 -0.49 0.15 0.00 2.15 0.00 0.00 33.22 35.08 1qnd n MET 109 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1qnd h LYS 110 N 0.00 0.52 -5.87 2.12 3.64 -1.96 -3.40 116.57 111.62 1qnd h LYS 110 Ca 0.00 -0.24 -0.59 0.00 -1.27 0.00 0.00 60.65 58.55 1qnd h LYS 110 Cb 0.22 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 1qnd h LYS 110 CO 0.00 0.80 0.55 -0.48 -2.27 0.00 0.00 179.45 178.05 1qnd s LEU 111 N -8.57 4.08 0.00 5.20 0.05 -1.26 -4.94 118.68 113.24 1qnd s LEU 111 Ca -0.07 1.10 0.00 0.00 0.05 0.00 0.00 54.13 55.21 1qnd s LEU 111 Cb 0.13 -3.27 0.00 0.00 -2.05 0.00 0.00 46.19 40.99 1qnd s LEU 111 CO 0.81 -0.56 0.00 0.00 -0.55 0.00 0.00 176.35 176.05 1qnd n GLN 112 N 6.11 0.00 0.00 1.48 6.02 -1.26 -4.78 117.38 124.94 1qnd n GLN 112 Ca 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1qnd n GLN 112 Cb 0.47 -0.04 0.08 0.00 1.02 0.00 0.00 30.24 31.78 1qnd n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1qnd n ASN 113 N -1.43 0.00 0.13 1.08 5.15 -1.26 -0.36 115.26 118.57 1qnd n ASN 113 Ca 0.00 0.42 0.03 0.00 -0.60 0.00 0.00 54.58 54.43 1qnd n ASN 113 Cb 0.00 -0.44 0.40 0.00 -0.53 0.00 0.00 39.78 39.21 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1qnd h LEU 114 N 0.00 0.19 -4.46 1.20 5.85 -1.98 -3.35 115.31 112.76 1qnd h LEU 114 Ca 0.00 -0.04 -0.54 0.00 0.84 0.00 0.00 57.88 58.14 1qnd h LEU 114 Cb 0.05 -0.05 -0.42 0.00 0.37 0.00 0.00 40.66 40.61 1qnd h LEU 114 CO 0.00 0.37 -0.83 0.00 -0.34 0.00 0.00 178.44 177.64 1qnd n GLN 115 N -4.27 3.10 -0.89 1.25 10.64 0.51 -3.95 117.38 123.77 1qnd n GLN 115 Ca -0.01 -4.24 0.09 0.00 -1.83 0.00 0.00 57.00 51.01 1qnd n GLN 115 Cb 0.27 -2.10 -0.03 0.00 -0.86 0.00 0.00 30.24 27.53 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1qnd n LEU 116 N -0.48 -0.40 -4.73 2.61 -0.00 -1.25 -4.60 117.00 108.16 1qnd n LEU 116 Ca 0.35 0.91 -0.34 0.00 -0.00 0.00 0.00 56.01 56.92 1qnd n LEU 116 Cb 0.75 -2.87 -0.08 0.00 -0.00 0.00 0.00 43.42 41.21 1qnd n LEU 116 CO 0.33 -1.52 -0.28 -1.10 -0.00 0.00 0.00 177.39 174.82 1qnd s GLN 117 N -2.80 3.03 1.00 1.47 -0.21 -1.26 -4.38 119.66 116.51 1qnd s GLN 117 Ca 0.00 -0.42 -0.17 0.00 0.02 0.00 0.00 55.36 54.79 1qnd s GLN 117 Cb 0.00 -2.84 0.23 0.00 1.00 0.00 0.00 33.01 31.39 1qnd s GLN 117 CO 0.00 0.69 1.34 -1.25 -2.12 0.00 0.00 175.29 173.95 1qnd s PRO 118 N -1.20 0.31 0.00 2.91 0.04 -1.26 -4.82 135.00 130.98 1qnd s PRO 118 Ca 0.17 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1qnd s PRO 118 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1qnd s PRO 118 CO 0.06 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1qnd n GLY 119 N -3.75 0.43 3.07 0.56 0.00 -1.26 -5.06 105.19 99.19 1qnd n GLY 119 Ca 0.17 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 1qnd n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnd s ASN 120 N -1.21 -0.04 0.27 1.61 3.84 -1.26 -5.06 114.94 113.09 1qnd s ASN 120 Ca 0.00 0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.07 1qnd s ASN 120 Cb 0.00 0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.95 1qnd s ASN 120 CO 0.00 -0.23 0.00 0.00 -2.79 0.00 0.00 177.10 174.08 1qnd n ALA 121 N 2.13 1.25 -3.56 1.71 0.00 -1.26 -4.92 120.51 115.86 1qnd n ALA 121 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.98 1qnd n ALA 121 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1qnd n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qnd n LYS 122 N -3.15 -1.76 -0.35 0.00 4.81 -1.26 -5.21 118.16 111.23 1qnd n LYS 122 Ca 0.00 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.63 1qnd n LYS 122 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.40 1qnd n LYS 122 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85