#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 -0.08 -0.00 6.43 0.01 -1.26 -4.93 113.70 113.86 1qnd s SER 2 Ca 0.00 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.32 1qnd s SER 2 Cb 0.00 0.79 -0.04 0.00 0.21 0.00 0.00 66.02 66.99 1qnd s SER 2 CO 0.00 -1.54 0.09 0.00 0.41 0.00 0.00 173.24 172.21 1qnd s ALA 3 N -3.01 3.63 0.00 1.44 0.00 -1.26 -4.53 121.76 118.04 1qnd s ALA 3 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1qnd s ALA 3 Cb -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1qnd s ALA 3 CO 0.10 0.70 0.00 0.45 0.00 0.00 0.00 175.76 177.01 1qnd n SER 4 N 1.12 0.00 -2.91 0.00 2.88 -1.13 -4.85 113.62 108.73 1qnd n SER 4 Ca -0.13 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1qnd n SER 4 Cb 0.53 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.03 1qnd n SER 4 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qnd n ASP 5 N -0.81 -6.05 -0.20 -3.46 2.03 -1.26 -4.94 116.55 101.85 1qnd n ASP 5 Ca 0.00 -0.47 -0.00 0.00 0.52 0.00 0.00 54.79 54.84 1qnd n ASP 5 Cb 0.00 -4.43 -0.00 0.00 -0.72 0.00 0.00 41.12 35.96 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qnd n GLY 6 N -1.35 0.29 3.90 0.27 0.00 -1.26 -5.06 105.19 101.98 1qnd n GLY 6 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1qnd n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qnd s PHE 7 N 0.00 2.76 0.05 1.61 0.08 -1.26 -4.95 117.98 116.27 1qnd s PHE 7 Ca 0.00 0.69 0.33 0.00 0.12 0.00 0.00 56.93 58.07 1qnd s PHE 7 Cb 0.00 -3.58 1.36 0.00 -0.57 0.00 0.00 43.02 40.23 1qnd s PHE 7 CO 0.00 -1.91 1.97 -0.22 -0.10 0.00 0.00 175.22 174.96 1qnd h LYS 8 N -1.15 0.00 -0.18 0.44 1.63 -2.01 -0.97 116.57 114.34 1qnd h LYS 8 Ca -0.46 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.39 1qnd h LYS 8 Cb 1.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1qnd h LYS 8 CO 0.62 0.00 0.45 0.00 -3.45 0.00 0.00 179.45 177.07 1qnd h ALA 9 N 2.03 1.71 -0.44 5.00 0.00 -1.95 -1.67 119.26 123.95 1qnd h ALA 9 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qnd h ALA 9 Cb 0.48 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1qnd h ALA 9 CO 0.00 -0.54 0.14 -0.97 0.00 0.00 0.00 179.25 177.87 1qnd h ASN 10 N 0.00 0.12 -0.76 0.00 -0.73 -1.54 0.03 115.58 112.69 1qnd h ASN 10 Ca 0.08 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1qnd h ASN 10 Cb 0.99 0.05 -0.04 0.00 0.27 0.00 0.00 38.32 39.60 1qnd h ASN 10 CO -0.00 0.10 0.37 -0.07 -0.37 0.00 0.00 177.43 177.46 1qnd h LEU 11 N 0.29 1.01 0.55 0.34 3.38 -1.51 -0.08 115.31 119.30 1qnd h LEU 11 Ca 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qnd h LEU 11 Cb 0.22 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1qnd h LEU 11 CO -0.23 0.86 -0.27 0.58 0.09 0.00 0.00 178.44 179.47 1qnd h VAL 12 N 1.10 0.27 0.00 1.22 2.07 -1.50 -2.52 116.25 116.90 1qnd h VAL 12 Ca 0.27 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1qnd h VAL 12 Cb 0.12 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1qnd h VAL 12 CO -0.03 0.04 -0.10 -0.26 0.02 0.00 0.00 177.57 177.24 1qnd h PHE 13 N -1.05 0.00 -0.04 1.57 0.04 -0.93 -2.75 116.94 113.78 1qnd h PHE 13 Ca -0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1qnd h PHE 13 Cb 0.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1qnd h PHE 13 CO 0.01 0.10 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.55 1qnd h LYS 14 N 0.00 0.09 -0.99 1.51 3.64 -0.95 -2.73 116.57 117.14 1qnd h LYS 14 Ca -0.00 -0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.52 1qnd h LYS 14 Cb 0.37 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1qnd h LYS 14 CO 0.01 0.58 0.61 0.93 -2.27 0.00 0.00 179.45 179.32 1qnd h GLU 15 N -0.38 0.68 0.02 1.90 4.39 -1.14 0.36 114.58 120.41 1qnd h GLU 15 Ca 0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1qnd h GLU 15 Cb 0.57 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1qnd h GLU 15 CO 0.01 0.45 -0.11 0.82 -1.16 0.00 0.00 179.01 179.02 1qnd h ILE 16 N 0.71 0.73 0.24 3.13 2.04 -1.51 -2.25 117.51 120.60 1qnd h ILE 16 Ca 0.56 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.42 1qnd h ILE 16 Cb 0.95 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1qnd h ILE 16 CO -0.34 0.00 -0.24 -0.08 0.00 0.00 0.00 178.15 177.49 1qnd h GLU 17 N -0.20 -0.49 -0.88 2.37 4.57 -0.72 -1.67 114.58 117.55 1qnd h GLU 17 Ca 0.03 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 1qnd h GLU 17 Cb 0.24 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1qnd h GLU 17 CO -0.10 -0.33 0.57 -0.22 -1.18 0.00 0.00 179.01 177.76 1qnd h LYS 18 N -0.51 0.95 -0.25 1.92 3.64 -0.17 0.29 116.57 122.44 1qnd h LYS 18 Ca -0.01 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1qnd h LYS 18 Cb 0.47 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1qnd h LYS 18 CO -0.05 0.63 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.32 1qnd h LYS 19 N 0.98 0.58 -0.92 1.90 1.63 -1.38 -2.57 116.57 116.79 1qnd h LYS 19 Ca 0.38 -0.30 0.10 0.00 -0.85 0.00 0.00 60.65 59.98 1qnd h LYS 19 Cb 0.23 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.79 1qnd h LYS 19 CO -0.14 0.89 0.59 -0.07 -3.45 0.00 0.00 179.45 177.27 1qnd h LEU 20 N 0.29 0.83 0.06 5.20 4.07 0.11 -0.73 115.31 125.14 1qnd h LEU 20 Ca 0.04 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1qnd h LEU 20 Cb 0.77 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1qnd h LEU 20 CO 0.06 0.48 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.54 1qnd h GLU 21 N 0.91 -0.08 -0.25 1.13 4.39 -0.48 0.21 114.58 120.42 1qnd h GLU 21 Ca 0.43 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 1qnd h GLU 21 Cb 0.43 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1qnd h GLU 21 CO -0.20 0.12 0.10 0.93 -1.16 0.00 0.00 179.01 178.81 1qnd h GLU 22 N -0.26 0.36 -0.49 2.33 5.08 -1.09 -3.41 114.58 117.11 1qnd h GLU 22 Ca -0.01 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 58.00 1qnd h GLU 22 Cb 0.23 -0.06 -0.23 0.00 0.50 0.00 0.00 28.75 29.19 1qnd h GLU 22 CO 0.01 0.40 -0.65 -1.91 -1.00 0.00 0.00 179.01 175.86 1qnd n GLU 23 N -4.80 1.08 0.15 2.33 2.13 -0.31 -4.95 120.64 116.28 1qnd n GLU 23 Ca -0.03 -2.34 0.13 0.00 0.66 0.00 0.00 57.16 55.59 1qnd n GLU 23 Cb 0.12 -0.87 0.46 0.00 0.27 0.00 0.00 31.44 31.42 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 2.69 0.00 1.01 8.31 0.00 -0.67 -3.36 103.07 111.05 1qnd h GLY 24 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1qnd h GLY 24 CO 0.19 0.00 0.60 1.05 0.00 0.00 0.00 176.54 178.38 1qnd h GLU 25 N 0.00 1.25 0.00 4.80 4.11 -1.81 0.79 114.58 123.72 1qnd h GLU 25 Ca 0.00 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.20 1qnd h GLU 25 Cb 0.58 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1qnd h GLU 25 CO 0.00 0.85 -0.66 0.37 0.07 0.00 0.00 179.01 179.63 1qnd h GLN 26 N 1.28 0.00 -0.10 1.06 -0.00 -1.90 -3.18 115.11 112.28 1qnd h GLN 26 Ca 0.34 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.86 1qnd h GLN 26 Cb -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.35 1qnd h GLN 26 CO -0.07 0.66 -0.53 0.74 0.00 0.00 0.00 178.83 179.64 1qnd h PHE 27 N 0.00 0.34 -0.78 3.99 0.04 -1.12 -1.55 116.94 117.85 1qnd h PHE 27 Ca -0.01 -0.11 0.08 0.00 2.80 0.00 0.00 57.97 60.73 1qnd h PHE 27 Cb 1.40 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 39.42 1qnd h PHE 27 CO 0.00 0.74 0.45 0.28 -0.60 0.00 0.00 178.31 179.18 1qnd h VAL 28 N 0.21 0.95 -0.32 -0.55 2.07 -0.96 -1.54 116.25 116.11 1qnd h VAL 28 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1qnd h VAL 28 Cb 1.00 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1qnd h VAL 28 CO 0.08 0.14 0.11 0.07 0.02 0.00 0.00 177.57 178.00 1qnd h LYS 29 N 0.79 0.46 -0.20 1.57 5.09 -1.28 0.14 116.57 123.13 1qnd h LYS 29 Ca 0.36 -0.06 -0.16 0.00 0.09 0.00 0.00 60.65 60.89 1qnd h LYS 29 Cb 0.27 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.52 1qnd h LYS 29 CO -0.21 0.40 -0.49 0.87 -2.09 0.00 0.00 179.45 177.92 1qnd h LYS 30 N 0.46 0.69 0.00 0.07 1.79 -0.74 -3.38 116.57 115.46 1qnd h LYS 30 Ca 0.11 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1qnd h LYS 30 Cb 0.12 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1qnd h LYS 30 CO -0.01 1.10 -0.44 -0.89 -1.08 0.00 0.00 179.45 178.13 1qnd n ILE 31 N -4.15 0.85 -2.53 1.86 -0.00 -1.07 -4.99 119.36 109.32 1qnd n ILE 31 Ca -0.06 0.31 -0.04 0.00 -0.00 0.00 0.00 62.75 62.96 1qnd n ILE 31 Cb 0.59 -2.00 0.01 0.00 -0.00 0.00 0.00 39.64 38.23 1qnd n ILE 31 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qnd n GLY 32 N 1.57 -1.10 0.00 7.39 0.00 0.48 -5.08 105.19 108.45 1qnd n GLY 32 Ca -0.06 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1qnd n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 33 N -0.71 4.35 3.75 -0.02 0.00 -0.26 -4.94 105.19 107.35 1qnd n GLY 33 Ca 0.06 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 1qnd n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qnd s ILE 34 N -1.58 3.53 0.22 -0.61 1.09 -1.26 -4.18 121.20 118.41 1qnd s ILE 34 Ca 0.00 1.39 0.01 0.00 -1.10 0.00 0.00 60.65 60.95 1qnd s ILE 34 Cb 0.00 -3.89 -0.05 0.00 -1.06 0.00 0.00 42.46 37.46 1qnd s ILE 34 CO 0.00 0.27 0.07 0.72 -0.10 0.00 0.00 174.94 175.90 1qnd s PHE 35 N -0.57 1.38 -0.06 3.97 -0.12 -0.83 -2.02 117.98 119.73 1qnd s PHE 35 Ca 0.49 -1.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.26 1qnd s PHE 35 Cb -0.32 -0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 41.26 1qnd s PHE 35 CO 0.39 -0.33 -0.19 0.00 -0.05 0.00 0.00 175.22 175.04 1qnd s ALA 36 N -3.78 2.45 -0.74 1.99 0.00 -0.75 -0.61 121.76 120.33 1qnd s ALA 36 Ca 0.33 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1qnd s ALA 36 Cb 0.07 -0.86 0.08 0.00 0.00 0.00 0.00 23.12 22.41 1qnd s ALA 36 CO 0.10 0.47 1.02 -0.06 0.00 0.00 0.00 175.76 177.29 1qnd s PHE 37 N -0.39 2.78 -0.36 0.00 0.08 -0.41 -1.52 117.98 118.15 1qnd s PHE 37 Ca 0.04 -0.77 -0.29 0.00 0.12 0.00 0.00 56.93 56.03 1qnd s PHE 37 Cb -0.12 -4.30 0.00 0.00 -0.57 0.00 0.00 43.02 38.03 1qnd s PHE 37 CO 0.02 -1.62 1.41 0.15 -0.10 0.00 0.00 175.22 175.08 1qnd s LYS 38 N 3.75 3.68 -0.27 0.44 3.01 -0.69 -3.61 119.74 126.05 1qnd s LYS 38 Ca 0.25 1.10 0.02 0.00 -1.01 0.00 0.00 55.97 56.34 1qnd s LYS 38 Cb -0.13 -3.99 0.07 0.00 -1.01 0.00 0.00 37.83 32.77 1qnd s LYS 38 CO 0.05 -1.42 -0.04 0.08 0.51 0.00 0.00 175.35 174.53 1qnd s VAL 39 N 5.15 1.89 0.59 3.17 1.01 -1.12 -3.62 120.40 127.47 1qnd s VAL 39 Ca 0.61 -1.66 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1qnd s VAL 39 Cb -0.16 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.14 1qnd s VAL 39 CO 0.30 -0.24 0.81 -1.59 0.00 0.00 0.00 175.10 174.37 1qnd s LYS 40 N 1.19 2.23 -1.04 2.72 -2.85 -1.26 -1.20 119.74 119.53 1qnd s LYS 40 Ca -0.02 -1.49 -0.10 0.00 -1.00 0.00 0.00 55.97 53.37 1qnd s LYS 40 Cb -0.19 -2.59 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1qnd s LYS 40 CO -0.08 -0.92 0.84 -3.47 0.10 0.00 0.00 175.35 171.83 1qnd n ASP 41 N -2.33 -6.29 -1.20 0.03 -0.08 -1.07 -1.85 116.55 103.75 1qnd n ASP 41 Ca 0.15 -0.75 0.00 0.00 -1.51 0.00 0.00 54.79 52.68 1qnd n ASP 41 Cb 0.61 -4.50 0.00 0.00 2.34 0.00 0.00 41.12 39.57 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 -1.46 0.91 0.00 0.27 0.00 -1.26 -3.03 105.19 100.62 1qnd n GLY 42 Ca -0.08 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.10 0.18 0.00 1.61 -0.04 -1.26 -2.69 135.00 132.70 1qnd n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1qnd n PRO 43 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.48 0.77 0.00 0.55 0.00 -1.26 -5.05 105.19 99.71 1qnd n GLY 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.79 1.83 -0.02 0.00 -1.10 -5.05 105.19 101.65 1qnd n GLY 45 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.94 -2.19 -5.21 1.61 5.02 -1.26 -4.11 118.16 110.07 1qnd n LYS 46 Ca 0.00 -0.91 -0.32 0.00 -2.02 0.00 0.00 58.31 55.07 1qnd n LYS 46 Cb 0.00 -0.86 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 1qnd n LYS 46 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qnd s GLU 47 N -4.29 2.37 0.36 1.97 2.12 -1.26 -2.61 118.70 117.36 1qnd s GLU 47 Ca 0.37 -0.88 0.09 0.00 0.36 0.00 0.00 54.97 54.91 1qnd s GLU 47 Cb -0.04 -2.16 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 1qnd s GLU 47 CO 0.29 0.50 -0.03 0.00 -0.54 0.00 0.00 175.26 175.47 1qnd s ALA 48 N -0.44 3.10 -0.01 6.30 0.00 -0.34 -2.83 121.76 127.54 1qnd s ALA 48 Ca 0.05 -2.10 -0.10 0.00 0.00 0.00 0.00 51.96 49.81 1qnd s ALA 48 Cb -0.12 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1qnd s ALA 48 CO 0.01 0.02 0.20 0.99 0.00 0.00 0.00 175.76 176.98 1qnd s THR 49 N -2.60 0.07 -0.07 0.00 2.01 -1.26 -2.78 115.64 111.00 1qnd s THR 49 Ca 0.34 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.85 1qnd s THR 49 Cb 0.03 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 1qnd s THR 49 CO 0.18 -0.30 -0.24 0.26 -0.69 0.00 0.00 174.62 173.83 1qnd s TRP 50 N -1.18 2.49 -0.34 4.92 0.51 -1.24 -3.51 118.94 120.59 1qnd s TRP 50 Ca -0.13 -0.80 -0.12 0.00 -2.12 0.00 0.00 56.10 52.94 1qnd s TRP 50 Cb -0.06 -1.64 -0.00 0.00 -0.81 0.00 0.00 33.47 30.96 1qnd s TRP 50 CO 0.02 -0.26 0.22 0.08 -0.51 0.00 0.00 176.95 176.50 1qnd s VAL 51 N -0.02 4.98 -0.52 4.03 1.01 -0.57 -1.29 120.40 128.02 1qnd s VAL 51 Ca -0.08 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 1qnd s VAL 51 Cb -0.15 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1qnd s VAL 51 CO 0.05 -0.06 0.68 -0.69 0.00 0.00 0.00 175.10 175.09 1qnd s VAL 52 N 1.66 4.79 -0.29 2.92 1.01 0.22 -0.26 120.40 130.45 1qnd s VAL 52 Ca 0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1qnd s VAL 52 Cb -0.18 -4.35 0.01 0.00 0.00 0.00 0.00 36.38 31.86 1qnd s VAL 52 CO 0.09 -0.88 1.16 -0.62 0.00 0.00 0.00 175.10 174.84 1qnd s ASP 53 N 2.78 6.87 -0.36 3.32 -1.08 -0.38 -1.96 116.67 125.86 1qnd s ASP 53 Ca 0.17 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.52 1qnd s ASP 53 Cb -0.18 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.16 1qnd s ASP 53 CO 0.13 -0.92 0.95 1.33 0.52 0.00 0.00 175.17 177.18 1qnd n VAL 54 N 5.89 1.18 0.00 1.11 0.24 -1.26 -0.94 118.33 124.54 1qnd n VAL 54 Ca 0.13 -3.77 0.00 0.00 -2.04 0.00 0.00 64.34 58.66 1qnd n VAL 54 Cb 0.47 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.10 0.00 -2.73 7.34 4.81 -1.26 -1.11 118.16 125.11 1qnd n LYS 55 Ca 0.18 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.20 1qnd n LYS 55 Cb 0.74 -0.04 -0.03 0.00 0.02 0.00 0.00 35.03 35.73 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 -4.16 7.21 0.91 3.14 0.01 -1.26 -4.84 114.94 115.95 1qnd s ASN 56 Ca 0.00 1.48 0.00 0.00 -0.71 0.00 0.00 52.86 53.63 1qnd s ASN 56 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1qnd s ASN 56 CO 0.00 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.80 1qnd n GLY 57 N 3.12 2.43 0.15 0.66 0.00 -1.26 -1.57 105.19 108.73 1qnd n GLY 57 Ca 0.07 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 10.79 1.20 0.00 1.61 4.76 -1.26 -4.91 118.16 130.35 1qnd n LYS 58 Ca 0.00 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 1qnd n LYS 58 Cb 0.00 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qnd n GLY 59 N 0.90 -1.62 3.64 0.72 0.00 -0.61 -3.46 105.19 104.78 1qnd n GLY 59 Ca 0.15 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.99 -0.33 -0.39 1.61 0.01 -0.12 -4.73 113.70 106.75 1qnd s SER 60 Ca 0.00 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 57.58 1qnd s SER 60 Cb 0.00 0.76 0.01 0.00 0.21 0.00 0.00 66.02 67.00 1qnd s SER 60 CO 0.00 -0.10 1.31 -0.69 0.41 0.00 0.00 173.24 174.17 1qnd s VAL 61 N 0.46 4.06 -0.21 3.43 1.01 -1.26 -1.25 120.40 126.64 1qnd s VAL 61 Ca 0.01 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 1qnd s VAL 61 Cb -0.05 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1qnd s VAL 61 CO -0.11 -0.73 0.73 -0.76 0.00 0.00 0.00 175.10 174.23 1qnd s LEU 62 N 4.87 4.12 0.04 3.92 1.43 0.64 -4.94 118.68 128.76 1qnd s LEU 62 Ca 0.56 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.31 1qnd s LEU 62 Cb -0.13 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1qnd s LEU 62 CO 0.29 -0.38 1.06 -2.16 0.23 0.00 0.00 176.35 175.39 1qnd s PRO 63 N 2.29 4.53 -1.66 1.29 0.04 -1.26 -1.52 135.00 138.71 1qnd s PRO 63 Ca 0.32 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 1qnd s PRO 63 Cb -0.16 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 31.07 1qnd s PRO 63 CO 0.10 -0.10 0.31 0.09 0.04 0.00 0.00 177.00 177.45 1qnd n ASN 64 N 3.76 -0.49 -4.76 6.66 3.02 -1.23 -4.89 115.26 117.33 1qnd n ASN 64 Ca 0.07 -1.22 -0.41 0.00 -0.03 0.00 0.00 54.58 52.99 1qnd n ASN 64 Cb 0.49 -1.86 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qnd s SER 65 N -3.91 6.57 0.00 6.41 0.15 -1.24 -4.88 113.70 116.81 1qnd s SER 65 Ca 0.35 2.80 0.28 0.00 0.70 0.00 0.00 55.95 60.08 1qnd s SER 65 Cb -0.20 -2.64 1.12 0.00 -1.71 0.00 0.00 66.02 62.59 1qnd s SER 65 CO 0.99 -0.73 1.83 0.47 1.20 0.00 0.00 173.24 177.01 1qnd n ASP 66 N 1.47 0.14 -4.73 5.45 8.00 -1.26 -4.81 116.55 120.81 1qnd n ASP 66 Ca 0.04 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 1qnd n ASP 66 Cb 0.40 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1qnd n ASP 66 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qnd n LYS 67 N -1.43 2.29 -0.87 -1.24 5.02 -1.26 -5.01 118.16 115.66 1qnd n LYS 67 Ca 0.08 0.81 -0.21 0.00 -2.02 0.00 0.00 58.31 56.97 1qnd n LYS 67 Cb 0.32 -2.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.02 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 0.34 -2.22 -4.19 1.97 2.85 -1.26 -5.05 118.16 110.60 1qnd n LYS 68 Ca 0.04 -1.30 -0.14 0.00 -1.05 0.00 0.00 58.31 55.86 1qnd n LYS 68 Cb 0.38 -1.14 -0.10 0.00 -0.65 0.00 0.00 35.03 33.52 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 -3.21 1.17 0.23 0.58 0.00 -1.26 -4.99 121.76 114.28 1qnd s ALA 69 Ca 0.52 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1qnd s ALA 69 Cb -0.04 0.05 0.22 0.00 0.00 0.00 0.00 23.12 23.35 1qnd s ALA 69 CO 0.39 -0.08 1.54 -0.44 0.00 0.00 0.00 175.76 177.17 1qnd h ASP 70 N 3.27 0.32 -5.27 0.00 5.19 -1.77 -3.47 116.42 114.69 1qnd h ASP 70 Ca -0.37 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 55.74 1qnd h ASP 70 Cb 1.19 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.55 1qnd h ASP 70 CO 0.57 0.85 -0.01 0.00 -3.12 0.00 0.00 179.24 177.53 1qnd n THR 72 N -0.50 0.00 -3.82 0.00 -1.04 -1.26 -1.80 114.28 105.86 1qnd n THR 72 Ca -0.03 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.05 61.19 1qnd n THR 72 Cb 0.61 0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 69.37 1qnd n THR 72 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1qnd s ILE 73 N -2.38 0.08 -0.07 12.58 2.07 -0.58 -3.84 121.20 129.06 1qnd s ILE 73 Ca 0.11 -0.69 0.05 0.00 -1.41 0.00 0.00 60.65 58.71 1qnd s ILE 73 Cb 0.01 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 1qnd s ILE 73 CO 0.08 -0.38 -0.24 -0.89 -1.91 0.00 0.00 174.94 171.59 1qnd s THR 74 N -1.86 2.01 0.00 4.00 2.01 -1.26 -1.70 115.64 118.83 1qnd s THR 74 Ca -0.10 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1qnd s THR 74 Cb -0.04 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.76 1qnd s THR 74 CO 0.00 0.56 0.00 0.23 -0.69 0.00 0.00 174.62 174.72 1qnd n MET 75 N 3.11 0.00 0.00 4.92 2.81 -1.24 -4.25 117.12 122.47 1qnd n MET 75 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1qnd n MET 75 Cb 0.52 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qnd n ALA 76 N -1.30 -0.04 -0.16 3.04 0.00 -1.26 -4.61 120.51 116.18 1qnd n ALA 76 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1qnd n ALA 76 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 0.63 0.28 0.00 1.82 -1.28 0.64 116.42 118.51 1qnd h ASP 77 Ca 0.00 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1qnd h ASP 77 Cb 0.00 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 1qnd h ASP 77 CO 0.00 0.60 -0.02 -1.28 -1.61 0.00 0.00 179.24 176.93 1qnd h SER 78 N 0.62 0.00 0.00 2.28 0.87 -1.85 0.56 113.55 116.03 1qnd h SER 78 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1qnd h SER 78 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1qnd h SER 78 CO -0.02 0.02 -0.03 -0.78 -0.53 0.00 0.00 176.83 175.49 1qnd h ASP 79 N 0.00 0.00 -0.74 6.23 1.82 -1.59 -3.35 116.42 118.79 1qnd h ASP 79 Ca -0.00 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 56.80 1qnd h ASP 79 Cb 0.16 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.07 1qnd h ASP 79 CO 0.00 0.17 0.21 -0.26 -1.61 0.00 0.00 179.24 177.75 1qnd h PHE 80 N -0.30 0.33 0.47 0.28 0.04 -0.44 0.14 116.94 117.46 1qnd h PHE 80 Ca 0.00 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1qnd h PHE 80 Cb 0.03 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1qnd h PHE 80 CO -0.01 -0.06 -0.23 1.25 -0.60 0.00 0.00 178.31 178.66 1qnd h LEU 81 N 0.30 -0.54 -1.36 1.54 5.85 -1.14 -3.19 115.31 116.76 1qnd h LEU 81 Ca 0.42 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.31 1qnd h LEU 81 Cb 0.70 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1qnd h LEU 81 CO -0.49 -0.39 0.56 0.00 -0.34 0.00 0.00 178.44 177.79 1qnd h ALA 82 N -1.70 1.92 -0.35 1.25 0.00 -1.38 0.04 119.26 119.04 1qnd h ALA 82 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qnd h ALA 82 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1qnd h ALA 82 CO 0.10 -0.15 0.00 -0.11 0.00 0.00 0.00 179.25 179.09 1qnd n LEU 83 N -4.54 0.00 0.06 0.00 7.94 0.38 -1.18 117.00 119.66 1qnd n LEU 83 Ca 0.17 0.94 -0.16 0.00 -1.11 0.00 0.00 56.01 55.86 1qnd n LEU 83 Cb 0.50 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 1qnd n LEU 83 CO 0.30 -0.44 0.16 0.00 -1.11 0.00 0.00 177.39 176.30 1qnd h MET 84 N 0.00 0.51 -0.91 1.96 -0.00 -1.60 -3.34 114.93 111.56 1qnd h MET 84 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 59.70 59.16 1qnd h MET 84 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1qnd h MET 84 CO 0.00 1.18 0.00 2.41 -0.00 0.00 0.00 176.91 180.50 1qnd n THR 85 N -3.79 0.22 -1.42 -0.10 -1.04 -0.00 -4.80 114.28 103.35 1qnd n THR 85 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1qnd n THR 85 Cb 0.84 -0.53 -0.06 0.00 -1.82 0.00 0.00 70.33 68.76 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 0.25 1.44 1.51 3.41 0.00 -0.91 -4.74 105.19 106.15 1qnd n GLY 86 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1qnd n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qnd n LYS 87 N -1.93 3.36 -1.76 1.61 4.81 -0.32 -4.99 118.16 118.94 1qnd n LYS 87 Ca -0.14 -2.82 -0.01 0.00 -0.87 0.00 0.00 58.31 54.46 1qnd n LYS 87 Cb 0.56 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1qnd n LYS 87 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1qnd n MET 88 N 1.36 -0.44 -4.14 1.64 0.00 -1.22 -4.92 117.12 109.40 1qnd n MET 88 Ca 0.26 0.80 -0.26 0.00 -0.00 0.00 0.00 57.70 58.50 1qnd n MET 88 Cb 0.79 -2.30 -0.17 0.00 0.00 0.00 0.00 33.22 31.55 1qnd n MET 88 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1qnd s ASN 89 N -1.35 1.95 1.19 6.12 2.47 -1.26 -4.97 114.94 119.09 1qnd s ASN 89 Ca 0.05 -0.28 -0.13 0.00 0.42 0.00 0.00 52.86 52.91 1qnd s ASN 89 Cb -0.01 -0.80 0.30 0.00 -1.45 0.00 0.00 41.25 39.29 1qnd s ASN 89 CO 0.15 -0.07 1.02 -2.84 -3.72 0.00 0.00 177.10 171.64 1qnd s PRO 90 N 1.33 -1.14 -0.41 0.43 0.02 -1.26 -4.65 135.00 129.32 1qnd s PRO 90 Ca -0.02 0.87 -0.27 0.00 0.02 0.00 0.00 61.00 61.59 1qnd s PRO 90 Cb -0.14 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 1qnd s PRO 90 CO -0.04 -3.88 2.11 -0.65 -0.33 0.00 0.00 177.00 174.22 1qnd s GLN 91 N -4.40 2.74 0.33 5.54 -0.21 -1.26 -4.85 119.66 117.55 1qnd s GLN 91 Ca 0.69 1.41 0.09 0.00 0.02 0.00 0.00 55.36 57.57 1qnd s GLN 91 Cb -0.26 -4.41 0.83 0.00 1.00 0.00 0.00 33.01 30.18 1qnd s GLN 91 CO 0.65 -2.56 1.79 0.77 -2.12 0.00 0.00 175.29 173.83 1qnd h SER 92 N 16.02 0.69 -1.02 5.90 0.02 -1.90 -1.30 113.55 131.96 1qnd h SER 92 Ca -0.31 0.08 0.26 0.00 -0.84 0.00 0.00 61.79 60.98 1qnd h SER 92 Cb 1.22 -0.04 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 1qnd h SER 92 CO 1.09 0.24 0.61 0.00 -1.14 0.00 0.00 176.83 177.64 1qnd h ALA 93 N 1.64 1.90 0.00 3.77 0.00 -1.89 0.79 119.26 125.46 1qnd h ALA 93 Ca 0.56 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1qnd h ALA 93 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1qnd h ALA 93 CO -0.33 -0.37 -0.15 0.35 0.00 0.00 0.00 179.25 178.75 1qnd h PHE 94 N 0.52 0.00 -0.20 0.00 3.04 -1.74 -3.28 116.94 115.29 1qnd h PHE 94 Ca 0.65 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.64 1qnd h PHE 94 Cb 1.33 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.79 1qnd h PHE 94 CO -0.01 0.00 -0.10 0.35 -2.02 0.00 0.00 178.31 176.54 1qnd h PHE 95 N -0.50 -0.23 0.03 0.41 3.57 -0.98 -2.03 116.94 117.20 1qnd h PHE 95 Ca 0.00 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1qnd h PHE 95 Cb 0.15 0.13 0.02 0.00 2.79 0.00 0.00 35.95 39.04 1qnd h PHE 95 CO -0.06 -0.15 -0.79 1.96 -2.23 0.00 0.00 178.31 177.03 1qnd h GLN 96 N -0.08 0.49 0.00 1.11 4.20 -1.09 -3.48 115.11 116.26 1qnd h GLN 96 Ca 0.11 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1qnd h GLN 96 Cb 0.24 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1qnd h GLN 96 CO -0.25 1.20 0.00 0.41 -0.67 0.00 0.00 178.83 179.52 1qnd n GLY 97 N 1.16 0.66 0.00 3.46 0.00 -0.77 -4.97 105.19 104.74 1qnd n GLY 97 Ca -0.11 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.22 0.00 -2.75 1.61 5.02 -1.25 -4.95 118.16 113.62 1qnd n LYS 98 Ca 0.00 0.38 -0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1qnd n LYS 98 Cb 0.10 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1qnd n LYS 98 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1qnd n LEU 99 N -1.50 -6.43 -4.52 -0.35 7.94 -1.25 -5.03 117.00 105.86 1qnd n LEU 99 Ca 0.02 1.69 -0.30 0.00 -1.11 0.00 0.00 56.01 56.31 1qnd n LEU 99 Cb 0.08 -2.97 0.24 0.00 0.53 0.00 0.00 43.42 41.30 1qnd n LEU 99 CO 0.06 -3.40 0.56 -1.59 -1.11 0.00 0.00 177.39 171.91 1qnd s LYS 100 N -0.97 -1.34 0.24 1.96 -2.85 -1.26 -4.73 119.74 110.79 1qnd s LYS 100 Ca -0.13 0.19 0.07 0.00 -1.00 0.00 0.00 55.97 55.10 1qnd s LYS 100 Cb 0.01 -1.56 -0.03 0.00 -2.06 0.00 0.00 37.83 34.18 1qnd s LYS 100 CO 0.63 -3.84 0.22 0.42 0.10 0.00 0.00 175.35 172.88 1qnd s ILE 101 N -2.75 4.60 0.52 3.79 1.09 -1.26 -4.80 121.20 122.38 1qnd s ILE 101 Ca 0.69 -1.31 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 1qnd s ILE 101 Cb -0.14 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1qnd s ILE 101 CO 0.58 -0.33 0.00 0.41 -0.10 0.00 0.00 174.94 175.50 1qnd n THR 102 N -1.16 -0.33 0.06 2.92 -1.04 -1.25 -4.27 114.28 109.21 1qnd n THR 102 Ca -0.08 0.63 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 1qnd n THR 102 Cb 0.58 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qnd n GLY 103 N -4.25 -0.18 5.18 3.41 0.00 -1.26 -5.06 105.19 103.03 1qnd n GLY 103 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1qnd n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qnd n ASN 104 N -3.03 -6.04 0.00 1.61 3.02 -1.26 -3.23 115.26 106.33 1qnd n ASN 104 Ca 0.00 0.44 0.01 0.00 -0.03 0.00 0.00 54.58 55.00 1qnd n ASN 104 Cb 0.00 -1.26 0.07 0.00 -0.61 0.00 0.00 39.78 37.98 1qnd n ASN 104 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1qnd n MET 105 N -2.42 0.21 0.00 3.52 1.56 -1.26 -4.63 117.12 114.09 1qnd n MET 105 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1qnd n MET 105 Cb 0.19 -1.19 0.00 0.00 2.15 0.00 0.00 33.22 34.37 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1qnd n GLY 106 N -0.41 1.56 0.15 -5.12 0.00 -1.24 -4.98 105.19 95.15 1qnd n GLY 106 Ca 0.02 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 1qnd n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qnd h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -1.81 -3.17 115.31 114.71 1qnd h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qnd h LEU 107 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qnd h LEU 107 CO 0.00 0.56 -0.14 0.00 0.09 0.00 0.00 178.44 178.95 1qnd h ALA 108 N 1.44 0.00 0.00 1.53 0.00 -1.97 -3.38 119.26 116.88 1qnd h ALA 108 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qnd h ALA 108 Cb 1.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1qnd h ALA 108 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1qnd n MET 109 N -3.66 0.35 0.00 0.00 0.00 -1.26 -4.51 117.12 108.04 1qnd n MET 109 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1qnd n MET 109 Cb 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1qnd n MET 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1qnd n LYS 110 N 0.79 0.00 -3.64 3.17 3.00 -1.20 -4.97 118.16 115.31 1qnd n LYS 110 Ca 0.00 0.39 -0.07 0.00 -0.00 0.00 0.00 58.31 58.63 1qnd n LYS 110 Cb 0.17 -1.35 -0.02 0.00 0.00 0.00 0.00 35.03 33.83 1qnd n LYS 110 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1qnd s LEU 111 N -3.36 -0.32 0.12 3.14 2.34 -1.26 -5.07 118.68 114.26 1qnd s LEU 111 Ca 0.00 -0.26 -0.19 0.00 0.06 0.00 0.00 54.13 53.74 1qnd s LEU 111 Cb 0.00 2.32 -0.06 0.00 -0.56 0.00 0.00 46.19 47.89 1qnd s LEU 111 CO 0.00 -0.92 1.73 1.56 -1.06 0.00 0.00 176.35 177.66 1qnd h GLN 112 N 2.00 0.34 0.00 1.48 4.20 -1.93 -3.29 115.11 117.91 1qnd h GLN 112 Ca -0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1qnd h GLN 112 Cb 1.25 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1qnd h GLN 112 CO 0.29 0.29 0.00 0.09 -0.67 0.00 0.00 178.83 178.83 1qnd n ASN 113 N -4.87 0.74 -0.22 1.46 3.02 -1.26 -0.50 115.26 113.63 1qnd n ASN 113 Ca -0.03 0.65 0.10 0.00 -0.03 0.00 0.00 54.58 55.28 1qnd n ASN 113 Cb 0.06 -0.82 0.50 0.00 -0.61 0.00 0.00 39.78 38.91 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1qnd n LEU 114 N -2.28 0.65 -2.73 3.41 7.94 -1.24 -3.86 117.00 118.89 1qnd n LEU 114 Ca 0.03 -0.27 -0.05 0.00 -1.11 0.00 0.00 56.01 54.61 1qnd n LEU 114 Cb 0.28 -0.04 0.04 0.00 0.53 0.00 0.00 43.42 44.23 1qnd n LEU 114 CO 0.23 0.13 -0.06 0.00 -1.11 0.00 0.00 177.39 176.58 1qnd n GLN 115 N -0.36 1.48 -0.77 1.96 6.02 0.35 -4.76 117.38 121.29 1qnd n GLN 115 Ca 0.15 -3.40 0.10 0.00 -0.01 0.00 0.00 57.00 53.85 1qnd n GLN 115 Cb 0.17 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1qnd n LEU 116 N -0.32 0.00 -4.65 1.08 -0.00 -1.18 -4.79 117.00 107.14 1qnd n LEU 116 Ca 0.09 0.83 -0.35 0.00 -0.00 0.00 0.00 56.01 56.58 1qnd n LEU 116 Cb 0.81 -2.37 -0.10 0.00 -0.00 0.00 0.00 43.42 41.77 1qnd n LEU 116 CO 0.18 -2.01 -0.29 -1.10 -0.00 0.00 0.00 177.39 174.17 1qnd s GLN 117 N -1.26 3.43 0.59 1.47 1.11 -1.26 -4.28 119.66 119.46 1qnd s GLN 117 Ca 0.00 -0.39 -0.10 0.00 0.01 0.00 0.00 55.36 54.88 1qnd s GLN 117 Cb 0.00 -2.96 0.14 0.00 -1.01 0.00 0.00 33.01 29.18 1qnd s GLN 117 CO 0.00 0.50 0.75 -0.35 0.01 0.00 0.00 175.29 176.20 1qnd n PRO 118 N 2.77 -1.02 0.00 2.91 -0.04 -1.26 -5.03 135.00 133.33 1qnd n PRO 118 Ca -0.18 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1qnd n PRO 118 Cb 0.53 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 1qnd n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 119 N -0.35 0.99 1.26 0.55 0.00 -1.26 -5.12 105.19 101.27 1qnd n GLY 119 Ca 0.10 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.79 1qnd n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 120 N 0.00 -5.76 0.00 1.61 2.85 -1.26 -5.11 115.26 107.58 1qnd n ASN 120 Ca 0.00 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1qnd n ASN 120 Cb 0.00 -4.06 0.00 0.00 1.24 0.00 0.00 39.78 36.96 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qnd n ALA 121 N -3.55 0.00 -3.69 5.20 0.00 -1.26 -5.06 120.51 112.14 1qnd n ALA 121 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1qnd n ALA 121 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1qnd n ALA 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qnd s LYS 122 N 1.58 0.12 0.00 0.00 2.20 -1.26 -5.20 119.74 117.18 1qnd s LYS 122 Ca 0.00 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1qnd s LYS 122 Cb 0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 1qnd s LYS 122 CO 0.00 -0.24 0.00 1.28 -0.36 0.00 0.00 175.35 176.03