#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd n SER 2 N 0.00 -6.88 -3.92 -3.46 7.64 -1.26 -5.01 113.62 100.73 1qnd n SER 2 Ca 0.00 0.71 -0.10 0.00 1.01 0.00 0.00 58.87 60.49 1qnd n SER 2 Cb 0.00 -3.64 -0.12 0.00 -1.01 0.00 0.00 64.21 59.45 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qnd s ALA 3 N -2.69 -0.03 0.00 -0.43 0.00 -1.26 -5.17 121.76 112.19 1qnd s ALA 3 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1qnd s ALA 3 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1qnd s ALA 3 CO 0.00 -0.13 0.00 -1.13 0.00 0.00 0.00 175.76 174.50 1qnd n SER 4 N 1.99 0.00 -1.52 0.00 3.41 -1.26 -4.86 113.62 111.37 1qnd n SER 4 Ca -0.20 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.24 1qnd n SER 4 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1qnd n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qnd n ASP 5 N 0.00 -4.95 -3.56 4.04 2.03 -1.26 -4.91 116.55 107.93 1qnd n ASP 5 Ca 0.00 0.23 -0.27 0.00 0.52 0.00 0.00 54.79 55.27 1qnd n ASP 5 Cb 0.00 -3.97 -0.10 0.00 -0.72 0.00 0.00 41.12 36.33 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 -0.98 3.26 3.33 0.27 0.00 -1.26 -4.93 105.19 104.89 1qnd n GLY 6 Ca -0.18 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.99 -0.32 0.51 1.61 0.40 -1.26 -4.85 117.98 113.09 1qnd s PHE 7 Ca 0.31 0.43 0.25 0.00 -0.60 0.00 0.00 56.93 57.32 1qnd s PHE 7 Cb 0.04 0.21 1.51 0.00 0.51 0.00 0.00 43.02 45.29 1qnd s PHE 7 CO -0.15 -0.51 2.15 -0.22 0.70 0.00 0.00 175.22 177.18 1qnd h LYS 8 N 3.33 0.00 0.00 0.44 3.64 -1.97 -1.45 116.57 120.57 1qnd h LYS 8 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1qnd h LYS 8 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1qnd h LYS 8 CO 0.41 0.06 0.18 0.00 -2.27 0.00 0.00 179.45 177.84 1qnd n ALA 9 N -2.37 0.77 0.04 5.00 0.00 -1.26 -2.33 120.51 120.37 1qnd n ALA 9 Ca -0.03 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1qnd n ALA 9 Cb 0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1qnd n ALA 9 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qnd h ASN 10 N 0.00 -0.45 -0.29 0.00 -0.73 -1.62 -1.41 115.58 111.08 1qnd h ASN 10 Ca 0.00 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.15 1qnd h ASN 10 Cb 0.37 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1qnd h ASN 10 CO 0.00 -0.21 -0.13 0.17 -0.37 0.00 0.00 177.43 176.89 1qnd h LEU 11 N -0.24 0.71 0.08 0.34 -0.00 -1.71 -2.91 115.31 111.58 1qnd h LEU 11 Ca 0.06 -0.21 0.02 0.00 -0.00 0.00 0.00 57.88 57.75 1qnd h LEU 11 Cb 0.32 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 1qnd h LEU 11 CO -0.17 0.86 -0.27 0.58 -0.00 0.00 0.00 178.44 179.44 1qnd h VAL 12 N 0.65 0.40 0.00 0.15 2.07 -1.57 -2.44 116.25 115.50 1qnd h VAL 12 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 1qnd h VAL 12 Cb 0.59 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1qnd h VAL 12 CO 0.04 0.00 -0.20 -0.26 0.02 0.00 0.00 177.57 177.17 1qnd h PHE 13 N -0.46 0.00 0.00 1.57 0.04 -1.15 -2.66 116.94 114.28 1qnd h PHE 13 Ca 0.04 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1qnd h PHE 13 Cb 0.51 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1qnd h PHE 13 CO -0.27 0.20 -0.53 -0.22 -0.60 0.00 0.00 178.31 176.89 1qnd h LYS 14 N 0.00 0.00 -0.06 1.51 3.64 -1.31 -2.30 116.57 118.05 1qnd h LYS 14 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1qnd h LYS 14 Cb 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1qnd h LYS 14 CO 0.03 0.53 -0.02 0.93 -2.27 0.00 0.00 179.45 178.65 1qnd h GLU 15 N 0.00 -0.00 -0.55 1.90 4.39 -1.07 0.30 114.58 119.55 1qnd h GLU 15 Ca -0.01 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.80 1qnd h GLU 15 Cb 1.17 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.74 1qnd h GLU 15 CO 0.07 -0.00 0.04 0.82 -1.16 0.00 0.00 179.01 178.78 1qnd h ILE 16 N -0.00 0.60 0.07 3.13 2.04 -1.52 -2.05 117.51 119.77 1qnd h ILE 16 Ca 0.03 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1qnd h ILE 16 Cb 0.04 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1qnd h ILE 16 CO -0.06 0.03 -0.04 -0.08 0.00 0.00 0.00 178.15 178.00 1qnd h GLU 17 N 0.16 -0.09 -0.32 2.37 4.81 -1.04 -2.47 114.58 118.00 1qnd h GLU 17 Ca 0.28 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 1qnd h GLU 17 Cb 0.43 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 1qnd h GLU 17 CO -0.43 -0.06 0.02 0.87 -0.73 0.00 0.00 179.01 178.68 1qnd h LYS 18 N -0.10 0.12 -0.41 1.92 1.57 0.29 0.16 116.57 120.11 1qnd h LYS 18 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1qnd h LYS 18 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1qnd h LYS 18 CO 0.01 0.08 0.23 -0.22 -0.57 0.00 0.00 179.45 178.98 1qnd h LYS 19 N 0.12 0.56 -0.64 3.15 1.63 -1.48 -2.41 116.57 117.51 1qnd h LYS 19 Ca 0.15 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 59.99 1qnd h LYS 19 Cb 0.19 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1qnd h LYS 19 CO -0.24 0.45 0.42 -0.07 -3.45 0.00 0.00 179.45 176.57 1qnd h LEU 20 N 0.53 0.41 0.18 5.20 3.38 -0.66 -1.96 115.31 122.38 1qnd h LEU 20 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1qnd h LEU 20 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1qnd h LEU 20 CO -0.02 0.25 -0.09 -0.33 0.09 0.00 0.00 178.44 178.34 1qnd h GLU 21 N 0.46 -0.23 -0.40 1.13 4.39 -0.29 0.07 114.58 119.70 1qnd h GLU 21 Ca 0.29 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1qnd h GLU 21 Cb 0.54 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1qnd h GLU 21 CO -0.09 -0.01 0.22 0.93 -1.16 0.00 0.00 179.01 178.90 1qnd h GLU 22 N -0.42 0.56 -0.23 2.33 5.08 -1.04 -3.40 114.58 117.46 1qnd h GLU 22 Ca -0.02 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 1qnd h GLU 22 Cb 0.33 -0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.29 1qnd h GLU 22 CO 0.04 0.46 -0.54 -1.91 -1.00 0.00 0.00 179.01 176.06 1qnd n GLU 23 N -4.73 0.93 0.19 2.33 2.13 -0.78 -4.98 120.64 115.74 1qnd n GLU 23 Ca 0.00 -2.02 0.06 0.00 0.66 0.00 0.00 57.16 55.86 1qnd n GLU 23 Cb 0.08 -1.23 0.37 0.00 0.27 0.00 0.00 31.44 30.93 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 3.35 0.00 0.39 8.31 0.00 -1.10 -3.34 103.07 110.69 1qnd h GLY 24 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.41 1qnd h GLY 24 CO 0.23 0.00 0.59 1.05 0.00 0.00 0.00 176.54 178.41 1qnd h GLU 25 N 0.00 0.56 0.04 4.80 4.11 -1.75 0.47 114.58 122.81 1qnd h GLU 25 Ca -0.00 -0.03 -0.24 0.00 0.07 0.00 0.00 59.36 59.15 1qnd h GLU 25 Cb 0.85 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1qnd h GLU 25 CO 0.05 0.37 -1.04 0.37 0.07 0.00 0.00 179.01 178.83 1qnd h GLN 26 N 0.58 0.39 0.00 1.06 4.15 -1.87 -3.24 115.11 116.18 1qnd h GLN 26 Ca 0.47 -0.48 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 1qnd h GLN 26 Cb 0.92 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1qnd h GLN 26 CO -0.21 1.15 -0.62 0.74 -1.93 0.00 0.00 178.83 177.96 1qnd h PHE 27 N 0.19 0.00 -0.05 3.99 0.04 -1.15 -2.52 116.94 117.44 1qnd h PHE 27 Ca -0.10 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.71 1qnd h PHE 27 Cb 1.70 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.79 1qnd h PHE 27 CO 0.07 0.62 -0.34 0.28 -0.60 0.00 0.00 178.31 178.34 1qnd h VAL 28 N 0.00 0.27 0.00 -0.55 2.07 -1.27 -2.00 116.25 114.76 1qnd h VAL 28 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1qnd h VAL 28 Cb 1.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1qnd h VAL 28 CO 0.08 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.78 1qnd h LYS 29 N -0.46 0.00 0.00 1.57 1.57 -1.49 0.18 116.57 117.94 1qnd h LYS 29 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1qnd h LYS 29 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1qnd h LYS 29 CO -0.31 0.00 -0.00 0.87 -0.57 0.00 0.00 179.45 179.44 1qnd h LYS 30 N 0.00 0.00 0.00 3.15 1.79 -1.22 -3.41 116.57 116.88 1qnd h LYS 30 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1qnd h LYS 30 Cb 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1qnd h LYS 30 CO 0.00 0.25 -0.71 0.82 -1.08 0.00 0.00 179.45 178.73 1qnd h ILE 31 N -1.00 1.25 -5.66 1.86 5.03 -1.43 -3.49 117.51 114.07 1qnd h ILE 31 Ca -0.00 -2.22 -0.19 0.00 -0.12 0.00 0.00 64.86 62.33 1qnd h ILE 31 Cb 0.25 2.64 0.08 0.00 -3.03 0.00 0.00 36.82 36.76 1qnd h ILE 31 CO -0.00 0.43 -0.52 0.61 -0.68 0.00 0.00 178.15 177.99 1qnd n GLY 32 N 1.51 -1.19 0.00 5.37 0.00 0.62 -4.53 105.19 106.98 1qnd n GLY 32 Ca -0.22 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.58 2.17 3.75 -0.02 0.00 0.02 -4.90 105.19 104.63 1qnd n GLY 33 Ca -0.07 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.48 3.58 0.10 -0.61 1.09 -1.26 -3.54 121.20 119.08 1qnd s ILE 34 Ca 0.00 1.49 -0.00 0.00 -1.10 0.00 0.00 60.65 61.04 1qnd s ILE 34 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1qnd s ILE 34 CO 0.00 0.32 0.00 0.72 -0.10 0.00 0.00 174.94 175.88 1qnd s PHE 35 N -0.78 0.78 0.01 3.97 -0.12 -0.58 -1.53 117.98 119.73 1qnd s PHE 35 Ca 0.47 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 1qnd s PHE 35 Cb -0.32 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1qnd s PHE 35 CO 0.39 -0.39 -0.07 0.00 -0.05 0.00 0.00 175.22 175.10 1qnd s ALA 36 N -3.90 2.99 -0.90 1.99 0.00 -1.06 -0.74 121.76 120.14 1qnd s ALA 36 Ca 0.16 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1qnd s ALA 36 Cb 0.07 -1.10 0.16 0.00 0.00 0.00 0.00 23.12 22.26 1qnd s ALA 36 CO -0.03 0.61 1.01 -0.06 0.00 0.00 0.00 175.76 177.29 1qnd s PHE 37 N -1.00 3.33 -0.47 0.00 0.08 -0.59 -2.48 117.98 116.84 1qnd s PHE 37 Ca 0.17 -1.59 -0.28 0.00 0.12 0.00 0.00 56.93 55.35 1qnd s PHE 37 Cb -0.11 -4.13 0.01 0.00 -0.57 0.00 0.00 43.02 38.22 1qnd s PHE 37 CO 0.08 -1.33 1.47 0.15 -0.10 0.00 0.00 175.22 175.49 1qnd s LYS 38 N 1.86 3.39 -0.22 0.44 -0.14 -0.99 -3.91 119.74 120.17 1qnd s LYS 38 Ca 0.28 0.77 -0.00 0.00 -1.36 0.00 0.00 55.97 55.66 1qnd s LYS 38 Cb -0.07 -4.10 0.06 0.00 -1.68 0.00 0.00 37.83 32.05 1qnd s LYS 38 CO -0.09 -1.80 -0.02 0.08 -0.76 0.00 0.00 175.35 172.75 1qnd s VAL 39 N 6.01 1.19 0.29 3.17 1.01 -1.04 -3.43 120.40 127.59 1qnd s VAL 39 Ca 0.60 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1qnd s VAL 39 Cb -0.13 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1qnd s VAL 39 CO 0.29 -0.13 0.09 2.29 0.00 0.00 0.00 175.10 177.64 1qnd n LYS 40 N 4.80 1.21 -3.13 2.72 2.85 -1.26 -0.92 118.16 124.42 1qnd n LYS 40 Ca -0.11 -1.97 -0.17 0.00 -1.05 0.00 0.00 58.31 55.00 1qnd n LYS 40 Cb 0.45 0.40 0.05 0.00 -0.65 0.00 0.00 35.03 35.28 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 -1.48 -5.16 0.00 -5.58 2.03 -1.18 -0.79 116.55 104.39 1qnd n ASP 41 Ca -0.07 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1qnd n ASP 41 Cb 0.35 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.90 1qnd n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qnd n GLY 42 N -1.51 2.70 3.60 0.27 0.00 -1.26 -4.35 105.19 104.63 1qnd n GLY 42 Ca -0.03 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 1qnd n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qnd s PRO 43 N 3.14 3.23 0.00 1.61 0.04 -1.26 -1.90 135.00 139.86 1qnd s PRO 43 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1qnd s PRO 43 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1qnd s PRO 43 CO 0.00 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1qnd n GLY 44 N 5.60 2.11 0.91 0.56 0.00 -1.26 -4.69 105.19 108.41 1qnd n GLY 44 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.80 2.31 -0.02 0.00 -0.80 -5.02 105.19 102.46 1qnd n GLY 45 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.25 -1.49 -4.28 1.61 5.02 -1.26 -4.61 118.16 110.91 1qnd n LYS 46 Ca 0.00 -1.20 -0.27 0.00 -2.02 0.00 0.00 58.31 54.82 1qnd n LYS 46 Cb 0.03 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 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 -4.70 2.05 0.32 1.97 2.12 -1.26 -3.10 118.70 116.10 1qnd s GLU 47 Ca 0.46 -1.22 0.03 0.00 0.36 0.00 0.00 54.97 54.60 1qnd s GLU 47 Cb -0.03 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.12 1qnd s GLU 47 CO 0.33 0.45 0.07 0.00 -0.54 0.00 0.00 175.26 175.58 1qnd s ALA 48 N -1.58 2.28 -0.09 6.30 0.00 -0.10 -4.40 121.76 124.17 1qnd s ALA 48 Ca 0.24 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.09 1qnd s ALA 48 Cb -0.09 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.83 1qnd s ALA 48 CO 0.15 -0.35 0.44 0.99 0.00 0.00 0.00 175.76 176.99 1qnd s THR 49 N -3.39 0.02 0.09 0.00 2.01 -1.26 -2.50 115.64 110.62 1qnd s THR 49 Ca 0.35 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1qnd s THR 49 Cb 0.08 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1qnd s THR 49 CO 0.15 -0.10 -0.09 0.26 -0.69 0.00 0.00 174.62 174.14 1qnd s TRP 50 N -0.64 2.76 -0.08 4.92 0.51 -1.25 -3.70 118.94 121.45 1qnd s TRP 50 Ca -0.07 -0.14 -0.06 0.00 -2.12 0.00 0.00 56.10 53.70 1qnd s TRP 50 Cb -0.03 -1.45 -0.04 0.00 -0.81 0.00 0.00 33.47 31.13 1qnd s TRP 50 CO 0.04 0.42 0.17 0.08 -0.51 0.00 0.00 176.95 177.15 1qnd s VAL 51 N -1.20 5.46 -0.22 4.03 1.01 -0.58 -1.54 120.40 127.36 1qnd s VAL 51 Ca 0.21 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1qnd s VAL 51 Cb -0.11 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1qnd s VAL 51 CO 0.13 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.97 1qnd s VAL 52 N -1.12 1.78 -0.38 2.92 1.01 0.08 -0.52 120.40 124.18 1qnd s VAL 52 Ca 0.19 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 1qnd s VAL 52 Cb -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1qnd s VAL 52 CO 0.09 0.10 1.01 -0.62 0.00 0.00 0.00 175.10 175.67 1qnd s ASP 53 N 1.31 6.74 -0.35 3.32 -1.08 0.19 -1.53 116.67 125.27 1qnd s ASP 53 Ca -0.04 0.68 0.15 0.00 -0.52 0.00 0.00 52.55 52.82 1qnd s ASP 53 Cb -0.17 -2.50 0.43 0.00 -1.46 0.00 0.00 42.92 39.22 1qnd s ASP 53 CO -0.07 -0.94 0.94 1.33 0.52 0.00 0.00 175.17 176.95 1qnd n VAL 54 N 6.12 1.10 0.07 1.11 0.24 -1.23 -1.50 118.33 124.23 1qnd n VAL 54 Ca 0.09 -3.62 0.00 0.00 -2.04 0.00 0.00 64.34 58.77 1qnd n VAL 54 Cb 0.48 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.08 0.00 -2.39 7.34 0.00 -1.26 -0.80 118.16 120.97 1qnd n LYS 55 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 58.15 1qnd n LYS 55 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.76 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1qnd s ASN 56 N -4.76 6.38 0.54 3.14 0.01 -1.26 -4.89 114.94 114.10 1qnd s ASN 56 Ca 0.00 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 53.88 1qnd s ASN 56 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1qnd s ASN 56 CO 0.00 -0.75 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 1qnd n GLY 57 N -1.02 2.45 0.97 0.66 0.00 -1.26 -1.68 105.19 105.32 1qnd n GLY 57 Ca 0.08 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 14.00 2.29 0.00 1.61 4.01 -1.26 -4.97 118.16 133.84 1qnd n LYS 58 Ca 0.00 -1.93 0.00 0.00 -0.51 0.00 0.00 58.31 55.87 1qnd n LYS 58 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qnd n GLY 59 N 1.39 -1.96 3.58 0.72 0.00 -0.68 -2.46 105.19 105.78 1qnd n GLY 59 Ca 0.17 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.09 -0.21 0.20 1.61 0.01 -0.56 -4.79 113.70 106.88 1qnd s SER 60 Ca 0.00 0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 1qnd s SER 60 Cb 0.00 0.20 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1qnd s SER 60 CO 0.00 -0.31 0.40 -0.69 0.41 0.00 0.00 173.24 173.05 1qnd s VAL 61 N -2.25 5.18 -0.41 3.43 1.01 -1.26 -0.64 120.40 125.46 1qnd s VAL 61 Ca 0.07 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1qnd s VAL 61 Cb -0.01 -3.71 0.18 0.00 0.00 0.00 0.00 36.38 32.84 1qnd s VAL 61 CO -0.05 -0.14 0.36 0.18 0.00 0.00 0.00 175.10 175.44 1qnd n LEU 62 N -0.53 -0.50 -4.76 3.92 4.77 0.33 -4.92 117.00 115.30 1qnd n LEU 62 Ca -0.04 -4.37 -0.39 0.00 -0.03 0.00 0.00 56.01 51.18 1qnd n LEU 62 Cb 0.53 0.56 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1qnd n LEU 62 CO 0.49 1.88 0.93 -2.16 -1.33 0.00 0.00 177.39 177.19 1qnd s PRO 63 N -0.01 3.77 -0.72 3.23 0.04 -1.26 -1.53 135.00 138.51 1qnd s PRO 63 Ca 0.33 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1qnd s PRO 63 Cb 0.05 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1qnd s PRO 63 CO -0.19 -0.63 0.00 0.09 0.04 0.00 0.00 177.00 176.31 1qnd n ASN 64 N -0.23 -2.32 -4.78 6.66 3.02 -1.24 -4.87 115.26 111.49 1qnd n ASN 64 Ca 0.06 0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.54 1qnd n ASN 64 Cb 0.45 -2.21 0.09 0.00 -0.61 0.00 0.00 39.78 37.50 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 -1.80 4.55 0.18 6.41 0.15 -1.21 -4.95 113.70 117.02 1qnd s SER 65 Ca 0.00 1.65 0.24 0.00 0.70 0.00 0.00 55.95 58.54 1qnd s SER 65 Cb 0.00 -2.40 0.45 0.00 -1.71 0.00 0.00 66.02 62.36 1qnd s SER 65 CO 0.00 -1.98 1.45 -2.24 1.20 0.00 0.00 173.24 171.67 1qnd h ASP 66 N -1.09 0.00 -2.17 5.45 2.03 -1.92 -3.47 116.42 115.25 1qnd h ASP 66 Ca -0.45 -0.12 -0.60 0.00 -0.73 0.00 0.00 57.03 55.13 1qnd h ASP 66 Cb 1.24 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 39.80 1qnd h ASP 66 CO 0.54 0.06 0.72 0.29 -1.03 0.00 0.00 179.24 179.82 1qnd n LYS 67 N -2.29 1.93 -0.91 4.15 4.01 -1.26 -5.00 118.16 118.80 1qnd n LYS 67 Ca 0.04 0.70 -0.18 0.00 -0.51 0.00 0.00 58.31 58.35 1qnd n LYS 67 Cb 0.45 -2.43 0.14 0.00 -0.51 0.00 0.00 35.03 32.68 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1qnd n LYS 68 N 3.16 -1.54 -3.99 1.97 2.85 -1.26 -5.00 118.16 114.34 1qnd n LYS 68 Ca 0.17 -1.17 -0.09 0.00 -1.05 0.00 0.00 58.31 56.17 1qnd n LYS 68 Cb 0.27 -0.92 -0.11 0.00 -0.65 0.00 0.00 35.03 33.62 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 -3.51 0.16 0.07 0.58 0.00 -1.26 -4.94 121.76 112.86 1qnd s ALA 69 Ca 0.45 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1qnd s ALA 69 Cb -0.03 0.18 -0.21 0.00 0.00 0.00 0.00 23.12 23.06 1qnd s ALA 69 CO 0.33 -0.22 1.20 -0.44 0.00 0.00 0.00 175.76 176.63 1qnd h ASP 70 N 4.24 0.84 -4.83 0.00 3.32 -1.65 -3.47 116.42 114.88 1qnd h ASP 70 Ca -0.32 -0.71 -0.42 0.00 0.02 0.00 0.00 57.03 55.60 1qnd h ASP 70 Cb 1.19 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 1qnd h ASP 70 CO 0.47 1.43 -0.55 0.00 -1.72 0.00 0.00 179.24 178.87 1qnd s THR 72 N -3.60 -0.58 0.41 0.00 2.01 -1.26 -2.56 115.64 110.05 1qnd s THR 72 Ca 0.36 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 1qnd s THR 72 Cb 0.05 -0.80 -0.08 0.00 0.01 0.00 0.00 72.50 71.68 1qnd s THR 72 CO 0.18 0.04 0.84 -0.51 -0.69 0.00 0.00 174.62 174.48 1qnd s ILE 73 N 2.40 4.62 0.01 1.82 2.07 -1.03 -2.92 121.20 128.16 1qnd s ILE 73 Ca -0.05 1.02 0.08 0.00 -1.41 0.00 0.00 60.65 60.29 1qnd s ILE 73 Cb -0.11 -3.67 -0.02 0.00 0.13 0.00 0.00 42.46 38.80 1qnd s ILE 73 CO -0.15 -0.42 -0.25 -0.89 -1.91 0.00 0.00 174.94 171.32 1qnd s THR 74 N -2.27 2.01 0.00 4.00 2.01 -1.26 -2.35 115.64 117.78 1qnd s THR 74 Ca 0.56 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1qnd s THR 74 Cb -0.10 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1qnd s THR 74 CO 0.24 0.48 0.00 0.23 -0.69 0.00 0.00 174.62 174.87 1qnd n MET 75 N 2.20 0.00 -3.60 4.92 2.81 -1.22 -4.54 117.12 117.69 1qnd n MET 75 Ca -0.16 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.68 1qnd n MET 75 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.00 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qnd s ALA 76 N -2.00 -2.07 0.27 3.04 0.00 -1.26 -4.80 121.76 114.94 1qnd s ALA 76 Ca 0.00 1.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 1qnd s ALA 76 Cb 0.00 -0.20 0.49 0.00 0.00 0.00 0.00 23.12 23.41 1qnd s ALA 76 CO 0.00 -0.57 1.82 0.22 0.00 0.00 0.00 175.76 177.23 1qnd h ASP 77 N 2.02 0.79 0.08 0.00 3.58 -1.16 -0.42 116.42 121.31 1qnd h ASP 77 Ca -0.09 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1qnd h ASP 77 Cb 1.17 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1qnd h ASP 77 CO 0.23 0.43 -0.00 -1.28 -2.88 0.00 0.00 179.24 175.73 1qnd h SER 78 N 0.88 0.00 0.00 2.28 0.87 -1.83 0.40 113.55 116.16 1qnd h SER 78 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1qnd h SER 78 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1qnd h SER 78 CO -0.27 0.00 -0.13 -0.78 -0.53 0.00 0.00 176.83 175.13 1qnd h ASP 79 N 0.00 0.00 0.06 6.23 1.82 -1.46 -3.33 116.42 119.75 1qnd h ASP 79 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1qnd h ASP 79 Cb 0.04 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 1qnd h ASP 79 CO 0.00 0.36 -0.20 -0.26 -1.61 0.00 0.00 179.24 177.53 1qnd h PHE 80 N -0.59 -0.54 0.12 0.28 0.04 -1.11 -0.62 116.94 114.51 1qnd h PHE 80 Ca 0.00 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1qnd h PHE 80 Cb 0.13 0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1qnd h PHE 80 CO -0.06 -0.29 -0.28 1.25 -0.60 0.00 0.00 178.31 178.34 1qnd h LEU 81 N -0.36 -0.78 -0.85 1.54 5.85 -1.18 -2.73 115.31 116.80 1qnd h LEU 81 Ca 0.04 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1qnd h LEU 81 Cb 0.41 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1qnd h LEU 81 CO -0.15 -0.36 0.52 0.00 -0.34 0.00 0.00 178.44 178.10 1qnd h ALA 82 N 0.23 1.18 0.25 1.25 0.00 -1.55 -0.47 119.26 120.16 1qnd h ALA 82 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qnd h ALA 82 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1qnd h ALA 82 CO -0.16 0.22 -0.26 -0.07 0.00 0.00 0.00 179.25 178.99 1qnd h LEU 83 N 0.92 -0.71 -1.15 0.00 4.07 -0.81 0.11 115.31 117.74 1qnd h LEU 83 Ca 0.38 0.06 -0.08 0.00 0.08 0.00 0.00 57.88 58.32 1qnd h LEU 83 Cb 0.23 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1qnd h LEU 83 CO -0.20 -0.34 -0.39 0.00 -1.08 0.00 0.00 178.44 176.44 1qnd h MET 84 N -0.51 0.00 0.00 1.13 -0.00 -1.49 -2.85 114.93 111.22 1qnd h MET 84 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1qnd h MET 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 1qnd h MET 84 CO -0.04 0.39 0.00 2.41 -0.00 0.00 0.00 176.91 179.67 1qnd n THR 85 N -3.84 0.63 -0.25 -0.10 -1.04 -0.19 -4.45 114.28 105.04 1qnd n THR 85 Ca -0.01 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1qnd n THR 85 Cb 0.45 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.63 0.85 0.03 3.41 0.00 -0.67 -4.88 105.19 104.56 1qnd n GLY 86 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.25 1.00 -0.63 1.61 4.81 0.22 -5.04 118.16 117.87 1qnd n LYS 87 Ca 0.00 -0.08 0.08 0.00 -0.87 0.00 0.00 58.31 57.44 1qnd n LYS 87 Cb 0.00 -1.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.67 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 -2.24 -1.20 -3.61 1.64 1.56 -0.28 -4.92 117.12 108.08 1qnd n MET 88 Ca -0.11 0.81 -0.13 0.00 -0.27 0.00 0.00 57.70 57.99 1qnd n MET 88 Cb 0.63 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 34.45 1qnd n MET 88 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1qnd s ASN 89 N -3.68 -0.37 -0.06 6.12 0.02 -1.26 -4.62 114.94 111.09 1qnd s ASN 89 Ca 0.00 0.09 -0.02 0.00 -1.02 0.00 0.00 52.86 51.91 1qnd s ASN 89 Cb 0.00 0.46 -0.05 0.00 0.02 0.00 0.00 41.25 41.69 1qnd s ASN 89 CO 0.00 -0.70 2.48 -0.81 0.02 0.00 0.00 177.10 178.09 1qnd n PRO 90 N 0.43 1.43 -3.27 -0.60 -0.04 -1.26 -4.78 135.00 126.91 1qnd n PRO 90 Ca -0.18 -0.57 -0.24 0.00 -0.04 0.00 0.00 63.50 62.46 1qnd n PRO 90 Cb 0.60 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.68 1qnd n PRO 90 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1qnd n GLN 91 N 1.61 -2.02 -0.32 0.54 7.27 -1.26 -4.76 117.38 118.43 1qnd n GLN 91 Ca 0.18 1.62 0.23 0.00 0.07 0.00 0.00 57.00 59.10 1qnd n GLN 91 Cb 0.63 -3.62 0.44 0.00 2.41 0.00 0.00 30.24 30.09 1qnd n GLN 91 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1qnd n SER 92 N -0.55 0.12 -0.27 1.69 3.41 -1.26 -0.59 113.62 116.17 1qnd n SER 92 Ca -0.03 1.64 0.05 0.00 -0.26 0.00 0.00 58.87 60.27 1qnd n SER 92 Cb 0.59 -0.70 0.15 0.00 -0.26 0.00 0.00 64.21 63.99 1qnd n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnd h ALA 93 N 1.95 0.73 0.00 7.33 0.00 -1.89 -3.42 119.26 123.96 1qnd h ALA 93 Ca 0.72 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.90 1qnd h ALA 93 Cb 1.73 0.51 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1qnd h ALA 93 CO -0.83 -0.43 0.00 0.34 0.00 0.00 0.00 179.25 178.33 1qnd n PHE 94 N -5.43 0.00 0.54 0.00 7.35 0.24 -0.81 117.46 119.36 1qnd n PHE 94 Ca 0.14 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.89 1qnd n PHE 94 Cb 0.48 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.61 1qnd n PHE 94 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1qnd n PHE 95 N 0.00 0.00 -0.04 -5.13 3.72 -1.26 -4.05 117.46 110.70 1qnd n PHE 95 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1qnd n PHE 95 Cb 0.00 -0.36 -0.09 0.00 -0.94 0.00 0.00 39.48 38.09 1qnd n PHE 95 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1qnd h GLN 96 N 0.00 0.25 -2.48 -1.08 4.20 -1.75 -3.49 115.11 110.77 1qnd h GLN 96 Ca 0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1qnd h GLN 96 Cb 0.15 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1qnd h GLN 96 CO 0.00 0.79 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 1qnd n GLY 97 N 0.54 0.26 2.08 3.46 0.00 0.01 -4.94 105.19 106.59 1qnd n GLY 97 Ca -0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.97 1.45 -2.69 1.61 5.02 -1.22 -4.66 118.16 116.70 1qnd n LYS 98 Ca 0.00 -0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 55.49 1qnd n LYS 98 Cb 0.41 -1.82 -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 1.47 -0.52 0.00 0.00 177.40 178.35 1qnd n LEU 99 N 2.55 -0.19 -4.76 -0.35 -0.00 -1.26 -4.56 117.00 108.42 1qnd n LEU 99 Ca 0.30 0.02 -0.41 0.00 -0.00 0.00 0.00 56.01 55.92 1qnd n LEU 99 Cb 0.67 -0.98 -0.02 0.00 -0.00 0.00 0.00 43.42 43.10 1qnd n LEU 99 CO 0.14 0.02 1.04 -1.59 -0.00 0.00 0.00 177.39 177.01 1qnd s LYS 100 N -4.75 4.29 0.55 1.47 0.00 -1.26 -4.66 119.74 115.37 1qnd s LYS 100 Ca 0.19 2.30 0.07 0.00 0.00 0.00 0.00 55.97 58.53 1qnd s LYS 100 Cb -0.11 -3.07 0.05 0.00 0.00 0.00 0.00 37.83 34.70 1qnd s LYS 100 CO 0.24 -0.32 0.53 0.42 0.00 0.00 0.00 175.35 176.21 1qnd s ILE 101 N -0.72 1.86 0.09 3.79 1.09 -1.15 -4.90 121.20 121.26 1qnd s ILE 101 Ca 0.53 -1.33 -0.09 0.00 -1.10 0.00 0.00 60.65 58.67 1qnd s ILE 101 Cb -0.41 -2.19 -0.00 0.00 -1.06 0.00 0.00 42.46 38.80 1qnd s ILE 101 CO 0.51 0.00 0.20 0.42 -0.10 0.00 0.00 174.94 175.96 1qnd s THR 102 N -2.72 0.14 -0.27 2.92 -4.23 -1.26 -4.40 115.64 105.81 1qnd s THR 102 Ca 0.43 -1.19 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 1qnd s THR 102 Cb -0.03 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.33 1qnd s THR 102 CO 0.27 -0.63 0.30 0.61 -0.54 0.00 0.00 174.62 174.63 1qnd n GLY 103 N -0.07 0.04 3.19 3.99 0.00 -1.26 -4.79 105.19 106.29 1qnd n GLY 103 Ca -0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1qnd n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnd s ASN 104 N -2.14 0.09 0.26 1.61 3.84 -1.26 -4.94 114.94 112.40 1qnd s ASN 104 Ca 0.01 -0.53 -0.30 0.00 0.21 0.00 0.00 52.86 52.25 1qnd s ASN 104 Cb 0.06 0.31 -0.11 0.00 -0.55 0.00 0.00 41.25 40.96 1qnd s ASN 104 CO 0.34 -0.65 1.54 -0.04 -2.79 0.00 0.00 177.10 175.50 1qnd s MET 105 N -3.27 4.19 -1.60 0.43 -1.94 -1.26 -3.43 119.30 112.42 1qnd s MET 105 Ca 0.00 2.45 0.00 0.00 -1.71 0.00 0.00 55.69 56.44 1qnd s MET 105 Cb 0.02 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1qnd s MET 105 CO -0.08 -0.55 0.00 0.41 -0.01 0.00 0.00 175.02 174.79 1qnd n GLY 106 N 2.37 1.31 0.27 -0.03 0.00 -1.26 -4.88 105.19 102.97 1qnd n GLY 106 Ca 0.08 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.98 1qnd n GLY 106 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1qnd h LEU 107 N 0.00 0.00 0.17 0.99 -0.00 -1.95 -3.17 115.31 111.36 1qnd h LEU 107 Ca -0.32 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.21 1qnd h LEU 107 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.71 1qnd h LEU 107 CO 0.46 0.08 -1.70 0.00 -0.00 0.00 0.00 178.44 177.27 1qnd h ALA 108 N 1.92 0.18 -1.42 0.17 0.00 -1.89 -3.30 119.26 114.92 1qnd h ALA 108 Ca -0.00 -1.13 -0.80 0.00 0.00 0.00 0.00 54.91 52.97 1qnd h ALA 108 Cb 0.45 0.41 -0.26 0.00 0.00 0.00 0.00 17.79 18.39 1qnd h ALA 108 CO 0.01 1.04 1.07 -0.12 0.00 0.00 0.00 179.25 181.26 1qnd n MET 109 N -3.56 5.02 0.02 0.00 0.00 -1.20 -4.80 117.12 112.60 1qnd n MET 109 Ca -0.23 -4.52 -0.01 0.00 -0.00 0.00 0.00 57.70 52.94 1qnd n MET 109 Cb 1.07 -2.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.78 1qnd n MET 109 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1qnd h LYS 110 N 4.69 -0.09 -2.46 2.12 1.79 -1.63 -3.48 116.57 117.51 1qnd h LYS 110 Ca 0.43 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 59.00 1qnd h LYS 110 Cb 0.43 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 30.96 1qnd h LYS 110 CO 1.27 -0.06 0.43 -0.48 -1.08 0.00 0.00 179.45 179.52 1qnd s LEU 111 N -5.69 -0.38 0.09 2.94 2.34 -1.26 -5.06 118.68 111.66 1qnd s LEU 111 Ca -0.01 -0.08 -0.15 0.00 0.06 0.00 0.00 54.13 53.95 1qnd s LEU 111 Cb 0.00 2.19 -0.13 0.00 -0.56 0.00 0.00 46.19 47.69 1qnd s LEU 111 CO 0.04 -0.76 1.34 1.56 -1.06 0.00 0.00 176.35 177.47 1qnd h GLN 112 N 2.00 0.68 0.00 1.48 7.50 -1.92 -3.27 115.11 121.59 1qnd h GLN 112 Ca -0.25 -0.45 0.00 0.00 0.50 0.00 0.00 58.65 58.45 1qnd h GLN 112 Cb 1.25 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.84 1qnd h GLN 112 CO 0.31 1.07 0.00 -1.71 -1.50 0.00 0.00 178.83 177.00 1qnd n ASN 113 N -4.18 0.24 0.08 1.46 4.05 -1.26 -0.05 115.26 115.60 1qnd n ASN 113 Ca -0.06 0.58 -0.07 0.00 0.45 0.00 0.00 54.58 55.48 1qnd n ASN 113 Cb 0.57 -0.62 -0.05 0.00 1.23 0.00 0.00 39.78 40.91 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1qnd h LEU 114 N 0.00 0.06 -4.95 1.20 5.85 -1.98 -3.40 115.31 112.10 1qnd h LEU 114 Ca 0.00 -0.06 -0.36 0.00 0.84 0.00 0.00 57.88 58.30 1qnd h LEU 114 Cb 0.18 -0.02 -0.41 0.00 0.37 0.00 0.00 40.66 40.78 1qnd h LEU 114 CO 0.00 0.95 -1.06 0.00 -0.34 0.00 0.00 178.44 177.99 1qnd n GLN 115 N -3.50 1.98 0.00 1.25 6.02 0.93 -4.21 117.38 119.85 1qnd n GLN 115 Ca -0.01 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.35 1qnd n GLN 115 Cb 0.86 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.42 0.00 -4.03 1.08 -0.00 -0.19 -4.44 117.00 109.00 1qnd n LEU 116 Ca 0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 56.01 1qnd n LEU 116 Cb 0.81 -0.26 -0.14 0.00 -0.00 0.00 0.00 43.42 43.84 1qnd n LEU 116 CO 0.21 0.00 -0.42 -1.10 -0.00 0.00 0.00 177.39 176.08 1qnd s GLN 117 N -0.52 0.60 1.01 1.47 -0.21 -1.26 -4.50 119.66 116.25 1qnd s GLN 117 Ca 0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 1qnd s GLN 117 Cb 0.00 -0.53 0.20 0.00 1.00 0.00 0.00 33.01 33.68 1qnd s GLN 117 CO 0.00 0.13 1.17 -1.25 -2.12 0.00 0.00 175.29 173.22 1qnd s PRO 118 N -0.67 0.31 0.00 2.91 0.04 -1.26 -4.95 135.00 131.38 1qnd s PRO 118 Ca -0.01 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1qnd s PRO 118 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qnd s PRO 118 CO 0.00 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1qnd n GLY 119 N -2.16 5.13 0.08 0.56 0.00 -1.26 -5.07 105.19 102.47 1qnd n GLY 119 Ca 0.10 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 1qnd n GLY 119 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qnd h ASN 120 N 0.00 0.00 0.00 1.61 -1.24 -2.02 -3.50 115.58 110.43 1qnd h ASN 120 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1qnd h ASN 120 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1qnd h ASN 120 CO 0.00 0.91 0.00 0.00 -1.29 0.00 0.00 177.43 177.05 1qnd n ALA 121 N -2.44 0.00 -3.60 1.57 0.00 -1.26 -4.97 120.51 109.82 1qnd n ALA 121 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1qnd n ALA 121 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 0.29 0.00 0.00 2.20 -1.26 -5.34 119.74 115.63 1qnd s LYS 122 Ca 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1qnd s LYS 122 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1qnd s LYS 122 CO 0.00 -0.13 0.00 1.47 -0.36 0.00 0.00 175.35 176.33