#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 -0.11 -1.22 6.43 0.15 -1.26 -5.02 113.70 112.67 1qnd s SER 2 Ca 0.00 0.63 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 1qnd s SER 2 Cb 0.00 1.31 -0.07 0.00 -1.71 0.00 0.00 66.02 65.55 1qnd s SER 2 CO 0.00 -0.27 2.38 0.00 1.20 0.00 0.00 173.24 176.56 1qnd n ALA 3 N 5.38 5.58 -1.00 5.45 0.00 -1.26 -4.36 120.51 130.30 1qnd n ALA 3 Ca -0.06 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1qnd n ALA 3 Cb 0.50 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.64 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 4.80 0.00 -3.40 0.00 2.88 -1.23 -4.96 113.62 111.71 1qnd n SER 4 Ca 0.58 0.18 -0.17 0.00 -1.33 0.00 0.00 58.87 58.13 1qnd n SER 4 Cb 0.25 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.37 -2.06 -0.66 -3.46 8.00 -1.26 -4.89 116.55 111.84 1qnd n ASP 5 Ca 0.00 -0.61 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 1qnd n ASP 5 Cb 0.00 -5.07 -0.01 0.00 -0.02 0.00 0.00 41.12 36.02 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qnd n GLY 6 N -1.13 0.79 3.94 0.44 0.00 -1.26 -5.00 105.19 102.98 1qnd n GLY 6 Ca -0.29 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 1.64 0.35 1.61 0.08 -1.26 -4.94 117.98 115.45 1qnd s PHE 7 Ca 0.03 0.20 0.30 0.00 0.12 0.00 0.00 56.93 57.57 1qnd s PHE 7 Cb 0.03 -3.86 1.46 0.00 -0.57 0.00 0.00 43.02 40.09 1qnd s PHE 7 CO -0.01 -2.42 2.05 -0.22 -0.10 0.00 0.00 175.22 174.52 1qnd h LYS 8 N -1.38 0.00 0.00 0.44 3.64 -2.00 -1.88 116.57 115.39 1qnd h LYS 8 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1qnd h LYS 8 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1qnd h LYS 8 CO 0.39 0.10 0.57 0.00 -2.27 0.00 0.00 179.45 178.25 1qnd h ALA 9 N 1.90 1.53 -0.70 5.00 0.00 -2.00 -2.58 119.26 122.41 1qnd h ALA 9 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1qnd h ALA 9 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1qnd h ALA 9 CO 0.01 -0.53 0.29 -0.97 0.00 0.00 0.00 179.25 178.06 1qnd h ASN 10 N 0.00 0.32 0.74 0.00 -0.73 -1.70 -0.88 115.58 113.32 1qnd h ASN 10 Ca 0.00 0.09 -0.25 0.00 1.87 0.00 0.00 56.30 58.00 1qnd h ASN 10 Cb 1.14 0.05 -0.04 0.00 0.27 0.00 0.00 38.32 39.73 1qnd h ASN 10 CO 0.00 0.16 -1.36 0.17 -0.37 0.00 0.00 177.43 176.03 1qnd h LEU 11 N 0.48 0.01 0.11 0.34 -0.00 -1.72 -2.82 115.31 111.72 1qnd h LEU 11 Ca 0.36 -0.02 0.02 0.00 -0.00 0.00 0.00 57.88 58.24 1qnd h LEU 11 Cb 0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1qnd h LEU 11 CO -0.34 1.02 -0.25 0.58 -0.00 0.00 0.00 178.44 179.45 1qnd h VAL 12 N 0.00 0.45 0.00 0.15 2.07 -1.58 0.12 116.25 117.46 1qnd h VAL 12 Ca -0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1qnd h VAL 12 Cb 1.90 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1qnd h VAL 12 CO 0.11 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.39 1qnd h PHE 13 N -0.45 0.00 0.00 1.57 0.04 -1.26 -2.85 116.94 113.99 1qnd h PHE 13 Ca 0.03 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 1qnd h PHE 13 Cb 0.48 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1qnd h PHE 13 CO -0.23 0.05 -0.65 -0.22 -0.60 0.00 0.00 178.31 176.66 1qnd h LYS 14 N 0.00 0.00 -0.07 1.51 3.64 -1.06 0.08 116.57 120.66 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 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1qnd h LYS 14 CO 0.01 0.65 -0.01 0.93 -2.27 0.00 0.00 179.45 178.75 1qnd h GLU 15 N 0.00 0.01 -0.71 1.90 4.39 -0.77 0.52 114.58 119.92 1qnd h GLU 15 Ca -0.01 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1qnd h GLU 15 Cb 1.29 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 1qnd h GLU 15 CO 0.08 0.01 0.41 0.82 -1.16 0.00 0.00 179.01 179.17 1qnd h ILE 16 N 0.01 0.97 0.17 3.13 2.04 -1.42 -0.08 117.51 122.34 1qnd h ILE 16 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1qnd h ILE 16 Cb 0.05 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1qnd h ILE 16 CO -0.07 0.13 -0.08 -0.08 0.00 0.00 0.00 178.15 178.06 1qnd h GLU 17 N 0.74 -0.22 -0.91 2.37 4.81 -0.83 -2.62 114.58 117.91 1qnd h GLU 17 Ca 0.32 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1qnd h GLU 17 Cb 0.21 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1qnd h GLU 17 CO -0.19 -0.15 0.59 -0.22 -0.73 0.00 0.00 179.01 178.32 1qnd h LYS 18 N -0.23 1.13 -0.12 1.92 3.64 0.11 0.22 116.57 123.24 1qnd h LYS 18 Ca -0.02 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1qnd h LYS 18 Cb 0.18 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1qnd h LYS 18 CO 0.04 0.75 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.56 1qnd h LYS 19 N 1.17 0.19 0.00 1.90 1.63 -1.09 -2.36 116.57 118.01 1qnd h LYS 19 Ca 0.36 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.95 1qnd h LYS 19 Cb -0.03 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1qnd h LYS 19 CO -0.11 0.39 -0.74 -0.07 -3.45 0.00 0.00 179.45 175.46 1qnd h LEU 20 N 0.18 0.00 0.28 5.20 3.38 -0.30 -3.23 115.31 120.82 1qnd h LEU 20 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qnd h LEU 20 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qnd h LEU 20 CO 0.03 0.74 -0.13 -0.33 0.09 0.00 0.00 178.44 178.84 1qnd h GLU 21 N 0.00 -0.36 -0.41 1.13 4.39 -0.47 -0.14 114.58 118.72 1qnd h GLU 21 Ca -0.01 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1qnd h GLU 21 Cb 1.35 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 1qnd h GLU 21 CO 0.10 -0.12 0.21 1.05 -1.16 0.00 0.00 179.01 179.09 1qnd h GLU 22 N -0.55 0.58 0.00 2.33 4.11 -1.53 -3.39 114.58 116.14 1qnd h GLU 22 Ca -0.04 -0.08 -0.21 0.00 0.07 0.00 0.00 59.36 59.10 1qnd h GLU 22 Cb 0.40 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.40 1qnd h GLU 22 CO 0.06 0.49 -0.32 -1.91 0.07 0.00 0.00 179.01 177.40 1qnd n GLU 23 N -4.71 1.09 0.25 1.06 2.13 -1.22 -5.00 120.64 114.25 1qnd n GLU 23 Ca 0.00 -1.74 0.14 0.00 0.66 0.00 0.00 57.16 56.22 1qnd n GLU 23 Cb 0.10 -0.18 0.73 0.00 0.27 0.00 0.00 31.44 32.35 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 2.08 0.00 0.18 8.31 0.00 -1.08 -3.19 103.07 109.37 1qnd h GLY 24 Ca -0.28 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.13 1qnd h GLY 24 CO -0.05 0.00 -0.15 0.83 0.00 0.00 0.00 176.54 177.17 1qnd h GLU 25 N 0.00 -0.09 0.00 4.80 5.08 -1.78 0.13 114.58 122.72 1qnd h GLU 25 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1qnd h GLU 25 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1qnd h GLU 25 CO 0.00 -0.06 -0.33 0.37 -1.00 0.00 0.00 179.01 177.99 1qnd h GLN 26 N -0.09 0.00 -0.08 2.33 4.15 -1.89 -2.18 115.11 117.35 1qnd h GLN 26 Ca 0.17 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.40 1qnd h GLN 26 Cb 0.36 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1qnd h GLN 26 CO -0.40 0.33 -0.76 0.74 -1.93 0.00 0.00 178.83 176.81 1qnd h PHE 27 N 0.00 0.62 -0.84 3.99 -1.00 -1.34 -0.31 116.94 118.06 1qnd h PHE 27 Ca -0.00 -0.28 0.08 0.00 2.81 0.00 0.00 57.97 60.58 1qnd h PHE 27 Cb 0.66 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 40.06 1qnd h PHE 27 CO 0.00 1.05 0.50 0.28 -1.61 0.00 0.00 178.31 178.54 1qnd h VAL 28 N 0.31 0.96 0.00 -0.55 2.07 -0.49 -1.78 116.25 116.77 1qnd h VAL 28 Ca -0.04 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1qnd h VAL 28 Cb 1.35 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qnd h VAL 28 CO 0.13 0.16 -0.46 0.11 0.02 0.00 0.00 177.57 177.53 1qnd h LYS 29 N 0.87 0.00 -0.03 1.57 1.79 -0.72 -1.00 116.57 119.05 1qnd h LYS 29 Ca 0.39 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1qnd h LYS 29 Cb 0.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1qnd h LYS 29 CO -0.22 0.46 -0.02 0.87 -1.08 0.00 0.00 179.45 179.47 1qnd h LYS 30 N 0.00 0.07 0.00 3.15 1.57 -0.20 -3.39 116.57 117.77 1qnd h LYS 30 Ca -0.00 -0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 58.31 1qnd h LYS 30 Cb 0.82 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1qnd h LYS 30 CO 0.06 0.47 -2.44 -0.89 -0.57 0.00 0.00 179.45 176.08 1qnd n ILE 31 N -4.83 1.53 -3.14 1.86 -0.00 -1.02 -4.95 119.36 108.81 1qnd n ILE 31 Ca -0.08 -0.39 -0.14 0.00 -0.00 0.00 0.00 62.75 62.14 1qnd n ILE 31 Cb 0.24 -1.83 0.07 0.00 -0.00 0.00 0.00 39.64 38.12 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 1.42 -0.16 3.83 7.39 0.00 -0.38 -5.03 105.19 112.26 1qnd n GLY 32 Ca -0.52 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.80 -0.07 -0.17 -0.02 0.00 -0.29 -4.77 107.32 98.20 1qnd s GLY 33 Ca 0.12 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 1qnd s GLY 33 CO 0.54 -0.04 0.05 -0.42 0.00 0.00 0.00 173.10 173.23 1qnd s ILE 34 N -3.60 4.69 0.25 0.90 1.09 -1.26 -1.33 121.20 121.94 1qnd s ILE 34 Ca 0.12 -0.07 0.04 0.00 -1.10 0.00 0.00 60.65 59.64 1qnd s ILE 34 Cb -0.05 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 1qnd s ILE 34 CO 0.06 0.48 -0.02 0.72 -0.10 0.00 0.00 174.94 176.09 1qnd s PHE 35 N 0.21 1.69 -0.05 3.97 -0.12 -0.90 -2.00 117.98 120.79 1qnd s PHE 35 Ca 0.03 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.11 1qnd s PHE 35 Cb -0.12 -0.99 -0.02 0.00 -0.63 0.00 0.00 43.02 41.26 1qnd s PHE 35 CO 0.01 0.06 -0.21 0.00 -0.05 0.00 0.00 175.22 175.02 1qnd s ALA 36 N -3.29 2.35 -0.46 1.99 0.00 -1.08 -1.16 121.76 120.10 1qnd s ALA 36 Ca 0.29 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 1qnd s ALA 36 Cb 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1qnd s ALA 36 CO 0.10 0.48 0.75 -0.06 0.00 0.00 0.00 175.76 177.03 1qnd s PHE 37 N -0.42 2.99 -0.60 0.00 0.08 -0.38 -1.53 117.98 118.14 1qnd s PHE 37 Ca 0.04 0.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.88 1qnd s PHE 37 Cb -0.12 -3.61 0.05 0.00 -0.57 0.00 0.00 43.02 38.77 1qnd s PHE 37 CO 0.02 -1.00 0.94 0.15 -0.10 0.00 0.00 175.22 175.22 1qnd s LYS 38 N 3.18 3.22 -0.53 0.44 1.02 0.08 -3.62 119.74 123.53 1qnd s LYS 38 Ca 0.27 -0.53 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 1qnd s LYS 38 Cb -0.13 -4.13 0.14 0.00 -0.52 0.00 0.00 37.83 33.19 1qnd s LYS 38 CO 0.20 -1.62 0.35 0.08 -0.92 0.00 0.00 175.35 173.44 1qnd s VAL 39 N 3.96 3.61 0.57 3.17 1.01 -0.55 -3.14 120.40 129.03 1qnd s VAL 39 Ca 0.26 -2.52 0.05 0.00 0.00 0.00 0.00 61.98 59.77 1qnd s VAL 39 Cb -0.15 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1qnd s VAL 39 CO 0.15 -0.80 0.79 -1.59 0.00 0.00 0.00 175.10 173.64 1qnd s LYS 40 N 0.50 2.33 -1.31 2.72 0.00 -1.26 -0.99 119.74 121.73 1qnd s LYS 40 Ca 0.13 -1.23 -0.06 0.00 0.00 0.00 0.00 55.97 54.81 1qnd s LYS 40 Cb -0.21 -2.56 0.01 0.00 0.00 0.00 0.00 37.83 35.07 1qnd s LYS 40 CO -0.04 -0.83 1.09 -3.47 0.00 0.00 0.00 175.35 172.10 1qnd n ASP 41 N -2.32 -4.61 -2.30 0.03 -0.08 -1.08 -0.75 116.55 105.44 1qnd n ASP 41 Ca 0.12 -0.59 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 1qnd n ASP 41 Cb 0.60 -4.96 0.00 0.00 2.34 0.00 0.00 41.12 39.10 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 -1.68 -1.30 0.05 0.27 0.00 -1.12 -4.28 105.19 97.13 1qnd n GLY 42 Ca -0.10 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1qnd n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qnd n PRO 43 N -0.87 0.04 0.00 1.61 -0.02 -1.26 -1.51 135.00 132.99 1qnd n PRO 43 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1qnd n PRO 43 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qnd n GLY 44 N -1.41 -0.07 2.12 -1.23 0.00 -1.26 -5.01 105.19 98.33 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 0.46 1.87 1.92 -0.02 0.00 -0.57 -5.03 105.19 103.82 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 -2.00 -3.00 -4.07 1.61 5.02 -1.26 -4.20 118.16 110.26 1qnd n LYS 46 Ca 0.00 -0.92 -0.13 0.00 -2.02 0.00 0.00 58.31 55.24 1qnd n LYS 46 Cb 0.00 -1.02 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -4.31 0.56 0.23 1.97 2.12 -1.26 -2.61 118.70 115.40 1qnd s GLU 47 Ca 0.40 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 1qnd s GLU 47 Cb -0.05 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 1qnd s GLU 47 CO 0.32 0.05 0.19 0.00 -0.54 0.00 0.00 175.26 175.28 1qnd s ALA 48 N -1.54 1.22 -0.02 6.30 0.00 -0.16 -3.51 121.76 124.05 1qnd s ALA 48 Ca -0.08 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 1qnd s ALA 48 Cb -0.09 1.38 0.01 0.00 0.00 0.00 0.00 23.12 24.43 1qnd s ALA 48 CO 0.00 -0.62 0.19 0.99 0.00 0.00 0.00 175.76 176.31 1qnd s THR 49 N -3.98 0.06 0.01 0.00 2.01 -1.26 -1.49 115.64 110.99 1qnd s THR 49 Ca 0.38 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1qnd s THR 49 Cb 0.05 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1qnd s THR 49 CO 0.15 -0.26 -0.21 0.26 -0.69 0.00 0.00 174.62 173.87 1qnd s TRP 50 N -0.98 2.48 -0.04 4.92 0.51 -1.24 -3.88 118.94 120.71 1qnd s TRP 50 Ca -0.11 -0.32 -0.02 0.00 -2.12 0.00 0.00 56.10 53.53 1qnd s TRP 50 Cb -0.06 -1.48 -0.04 0.00 -0.81 0.00 0.00 33.47 31.08 1qnd s TRP 50 CO 0.02 0.14 0.10 0.08 -0.51 0.00 0.00 176.95 176.78 1qnd s VAL 51 N -0.79 4.96 -0.14 4.03 1.01 -0.99 -1.24 120.40 127.23 1qnd s VAL 51 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1qnd s VAL 51 Cb -0.10 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1qnd s VAL 51 CO 0.02 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1qnd s VAL 52 N -1.14 1.28 -0.45 2.92 1.01 -0.31 -0.70 120.40 123.01 1qnd s VAL 52 Ca 0.21 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 1qnd s VAL 52 Cb -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1qnd s VAL 52 CO 0.11 0.34 0.93 -0.62 0.00 0.00 0.00 175.10 175.86 1qnd s ASP 53 N 1.59 6.52 -0.32 3.32 -1.08 0.08 -2.11 116.67 124.67 1qnd s ASP 53 Ca 0.04 0.17 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 1qnd s ASP 53 Cb -0.13 -2.45 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 1qnd s ASP 53 CO -0.09 -1.04 1.11 1.33 0.52 0.00 0.00 175.17 177.01 1qnd n VAL 54 N 6.39 1.92 0.00 1.11 0.24 -0.44 -2.05 118.33 125.50 1qnd n VAL 54 Ca 0.06 -3.86 0.00 0.00 -2.04 0.00 0.00 64.34 58.51 1qnd n VAL 54 Cb 0.48 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.52 0.00 -3.68 7.34 0.00 -1.06 -1.14 118.16 119.10 1qnd n LYS 55 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 58.26 1qnd n LYS 55 Cb 0.83 -0.44 -0.05 0.00 0.00 0.00 0.00 35.03 35.37 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 -4.17 6.51 1.65 3.14 0.01 -1.26 -4.88 114.94 115.94 1qnd s ASN 56 Ca 0.00 0.61 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 1qnd s ASN 56 Cb 0.00 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.56 1qnd s ASN 56 CO 0.00 0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.32 1qnd n GLY 57 N 0.43 3.42 0.91 0.66 0.00 -1.26 -1.67 105.19 107.68 1qnd n GLY 57 Ca -0.05 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 2.14 0.00 1.61 4.01 -1.26 -4.88 118.16 133.79 1qnd n LYS 58 Ca 0.00 -1.99 0.00 0.00 -0.51 0.00 0.00 58.31 55.81 1qnd n LYS 58 Cb 0.00 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 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 1.15 -2.33 3.59 0.72 0.00 -0.67 -2.72 105.19 104.93 1qnd n GLY 59 Ca 0.15 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.52 -0.24 0.39 1.61 0.01 -0.87 -4.82 113.70 106.27 1qnd s SER 60 Ca 0.00 0.19 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 1qnd s SER 60 Cb 0.00 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1qnd s SER 60 CO 0.00 -0.28 0.72 -0.69 0.41 0.00 0.00 173.24 173.40 1qnd s VAL 61 N -1.56 4.88 -0.35 3.43 1.01 -1.26 -0.74 120.40 125.81 1qnd s VAL 61 Ca 0.04 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1qnd s VAL 61 Cb -0.01 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1qnd s VAL 61 CO -0.03 -0.56 0.15 -0.76 0.00 0.00 0.00 175.10 173.90 1qnd s LEU 62 N -4.01 2.10 0.32 3.92 1.43 0.12 -4.90 118.68 117.66 1qnd s LEU 62 Ca 0.48 -1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 51.38 1qnd s LEU 62 Cb -0.10 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 1qnd s LEU 62 CO 0.34 -0.37 1.22 -2.16 0.23 0.00 0.00 176.35 175.61 1qnd s PRO 63 N 1.28 4.44 -1.57 1.29 0.04 -1.26 -2.36 135.00 136.86 1qnd s PRO 63 Ca 0.13 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1qnd s PRO 63 Cb -0.20 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1qnd s PRO 63 CO -0.17 -0.05 0.00 0.09 0.04 0.00 0.00 177.00 176.92 1qnd n ASN 64 N 0.89 -4.28 -4.73 6.66 3.02 -1.25 -4.86 115.26 110.70 1qnd n ASN 64 Ca -0.00 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.45 1qnd n ASN 64 Cb 0.43 -3.82 -0.04 0.00 -0.61 0.00 0.00 39.78 35.74 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 -2.25 7.39 0.00 6.41 0.15 -1.22 -4.90 113.70 119.29 1qnd s SER 65 Ca 0.00 1.67 0.21 0.00 0.70 0.00 0.00 55.95 58.53 1qnd s SER 65 Cb 0.00 -2.55 1.03 0.00 -1.71 0.00 0.00 66.02 62.79 1qnd s SER 65 CO 0.00 -0.07 1.69 -0.67 1.20 0.00 0.00 173.24 175.39 1qnd n ASP 66 N 2.95 0.00 -4.64 5.45 2.03 -1.26 -4.82 116.55 116.26 1qnd n ASP 66 Ca 0.01 0.15 -0.47 0.00 0.52 0.00 0.00 54.79 55.01 1qnd n ASP 66 Cb 0.50 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 1qnd n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1qnd n LYS 67 N -1.36 1.73 -1.05 -0.67 3.00 -1.26 -4.96 118.16 113.59 1qnd n LYS 67 Ca 0.08 0.62 -0.21 0.00 -0.00 0.00 0.00 58.31 58.80 1qnd n LYS 67 Cb 0.20 -2.26 0.17 0.00 0.00 0.00 0.00 35.03 33.13 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1qnd n LYS 68 N 2.35 -1.79 -3.89 1.64 2.85 -1.26 -4.98 118.16 113.08 1qnd n LYS 68 Ca 0.15 -1.37 -0.10 0.00 -1.05 0.00 0.00 58.31 55.93 1qnd n LYS 68 Cb 0.27 -1.09 -0.09 0.00 -0.65 0.00 0.00 35.03 33.47 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 -3.47 -0.21 0.01 0.58 0.00 -1.26 -4.93 121.76 112.48 1qnd s ALA 69 Ca 0.53 -0.35 0.18 0.00 0.00 0.00 0.00 51.96 52.32 1qnd s ALA 69 Cb -0.03 0.21 0.45 0.00 0.00 0.00 0.00 23.12 23.75 1qnd s ALA 69 CO 0.39 -0.29 1.62 0.38 0.00 0.00 0.00 175.76 177.87 1qnd h ASP 70 N 3.85 0.00 -2.60 0.00 3.04 -1.78 -3.48 116.42 115.45 1qnd h ASP 70 Ca -0.32 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.39 1qnd h ASP 70 Cb 1.19 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1qnd h ASP 70 CO 0.46 0.40 0.07 0.00 -2.04 0.00 0.00 179.24 178.13 1qnd n THR 72 N -0.35 0.00 -3.81 0.00 -1.04 -1.26 -2.62 114.28 105.19 1qnd n THR 72 Ca -0.03 -1.44 -0.12 0.00 -2.04 0.00 0.00 64.05 60.41 1qnd n THR 72 Cb 0.38 0.67 -0.11 0.00 -1.82 0.00 0.00 70.33 69.44 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 -2.72 0.02 0.15 12.58 2.07 -0.58 -3.82 121.20 128.90 1qnd s ILE 73 Ca 0.21 -0.16 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1qnd s ILE 73 Cb 0.01 -0.34 -0.07 0.00 0.13 0.00 0.00 42.46 42.19 1qnd s ILE 73 CO 0.15 -0.09 0.52 -0.89 -1.91 0.00 0.00 174.94 172.72 1qnd s THR 74 N -0.26 4.92 0.03 4.00 2.01 -1.26 -0.74 115.64 124.34 1qnd s THR 74 Ca -0.04 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1qnd s THR 74 Cb -0.03 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1qnd s THR 74 CO 0.01 0.18 0.00 0.23 -0.69 0.00 0.00 174.62 174.34 1qnd n MET 75 N 0.60 0.00 0.00 4.92 2.81 -1.19 -4.55 117.12 119.72 1qnd n MET 75 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1qnd n MET 75 Cb 0.52 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.88 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 -2.76 0.00 -0.06 3.04 0.00 -1.24 -4.60 120.51 114.90 1qnd n ALA 76 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1qnd n ALA 76 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 0.31 -0.81 0.00 1.82 -1.12 0.91 116.42 117.53 1qnd h ASP 77 Ca 0.00 -0.33 0.12 0.00 -0.39 0.00 0.00 57.03 56.42 1qnd h ASP 77 Cb 0.00 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 39.87 1qnd h ASP 77 CO 0.00 0.57 0.53 0.28 -1.61 0.00 0.00 179.24 179.01 1qnd h SER 78 N 0.05 0.60 0.19 2.28 0.02 -1.82 -1.24 113.55 113.62 1qnd h SER 78 Ca 0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1qnd h SER 78 Cb 0.42 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1qnd h SER 78 CO 0.01 0.34 -0.09 -0.78 -1.14 0.00 0.00 176.83 175.17 1qnd h ASP 79 N 0.65 -0.21 0.02 3.07 1.82 -1.73 -3.18 116.42 116.86 1qnd h ASP 79 Ca 0.39 -0.04 0.02 0.00 -0.39 0.00 0.00 57.03 57.01 1qnd h ASP 79 Cb 0.59 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.60 1qnd h ASP 79 CO -0.15 0.27 -0.48 -0.26 -1.61 0.00 0.00 179.24 177.01 1qnd h PHE 80 N -1.06 -1.39 -0.60 0.28 0.04 -0.67 -2.93 116.94 110.62 1qnd h PHE 80 Ca -0.03 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1qnd h PHE 80 Cb 0.24 0.61 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 1qnd h PHE 80 CO 0.01 -0.55 0.27 -0.07 -0.60 0.00 0.00 178.31 177.37 1qnd h LEU 81 N -0.65 0.80 -2.50 1.54 -0.00 -1.41 -2.91 115.31 110.18 1qnd h LEU 81 Ca 0.03 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1qnd h LEU 81 Cb 0.70 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1qnd h LEU 81 CO -0.33 0.72 -0.02 0.00 -0.00 0.00 0.00 178.44 178.81 1qnd h ALA 82 N 1.11 1.29 0.09 1.53 0.00 -1.49 0.35 119.26 122.14 1qnd h ALA 82 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qnd h ALA 82 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qnd h ALA 82 CO -0.02 0.03 -0.04 -0.07 0.00 0.00 0.00 179.25 179.14 1qnd h LEU 83 N 0.00 -0.11 -0.00 0.00 3.38 -1.46 -1.80 115.31 115.32 1qnd h LEU 83 Ca -0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1qnd h LEU 83 Cb 0.08 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1qnd h LEU 83 CO 0.00 0.28 -0.02 0.00 0.09 0.00 0.00 178.44 178.79 1qnd h MET 84 N -0.51 0.02 0.00 1.13 -0.00 -1.54 -3.33 114.93 110.69 1qnd h MET 84 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1qnd h MET 84 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1qnd h MET 84 CO 0.02 0.78 0.00 2.41 -0.00 0.00 0.00 176.91 180.12 1qnd n THR 85 N -4.70 0.00 -1.24 -0.10 -1.04 0.06 -4.28 114.28 102.98 1qnd n THR 85 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 1qnd n THR 85 Cb 0.38 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 68.33 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 0.40 0.92 0.00 3.41 0.00 -0.81 -4.75 105.19 104.37 1qnd n GLY 86 Ca 0.14 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.63 0.40 -1.12 1.61 4.81 -0.74 -4.93 118.16 116.56 1qnd n LYS 87 Ca -0.08 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1qnd n LYS 87 Cb 0.41 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.18 0.00 -3.72 1.64 1.56 -1.00 -4.99 117.12 109.43 1qnd n MET 88 Ca 0.11 0.37 -0.19 0.00 -0.27 0.00 0.00 57.70 57.73 1qnd n MET 88 Cb 0.12 -0.75 -0.17 0.00 2.15 0.00 0.00 33.22 34.57 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 0.00 0.83 1.14 6.12 0.01 -1.26 -4.96 114.94 116.82 1qnd s ASN 89 Ca 0.00 0.05 -0.09 0.00 -0.71 0.00 0.00 52.86 52.11 1qnd s ASN 89 Cb 0.00 -0.14 0.14 0.00 0.41 0.00 0.00 41.25 41.66 1qnd s ASN 89 CO 0.00 -0.20 0.33 -2.65 -1.51 0.00 0.00 177.10 173.06 1qnd n PRO 90 N 4.92 -2.86 -1.52 -0.60 -0.02 -1.26 -4.47 135.00 129.18 1qnd n PRO 90 Ca -0.12 -0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 60.39 1qnd n PRO 90 Cb 0.50 -0.74 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 1qnd n PRO 90 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qnd n GLN 91 N -3.25 0.91 0.20 -0.52 6.02 -1.26 -4.87 117.38 114.61 1qnd n GLN 91 Ca 0.05 0.33 0.04 0.00 -0.01 0.00 0.00 57.00 57.41 1qnd n GLN 91 Cb 0.23 -1.70 0.43 0.00 1.02 0.00 0.00 30.24 30.22 1qnd n GLN 91 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1qnd h SER 92 N 1.25 0.00 0.00 1.08 0.02 -1.92 -3.33 113.55 110.65 1qnd h SER 92 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1qnd h SER 92 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1qnd h SER 92 CO 0.55 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.52 1qnd n ALA 93 N -2.47 0.00 -0.33 3.77 0.00 -1.26 -3.13 120.51 117.09 1qnd n ALA 93 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1qnd n ALA 93 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1qnd n ALA 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qnd n PHE 94 N -0.42 0.00 1.64 0.00 7.35 -1.25 -0.47 117.46 124.31 1qnd n PHE 94 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 1qnd n PHE 94 Cb 0.00 0.02 0.69 0.00 0.35 0.00 0.00 39.48 40.54 1qnd n PHE 94 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1qnd n PHE 95 N 8.74 0.00 0.18 -5.13 -0.00 -1.26 -4.40 117.46 115.59 1qnd n PHE 95 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 1qnd n PHE 95 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.48 39.40 1qnd n PHE 95 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1qnd h GLN 96 N 1.11 -0.51 -3.14 -4.13 4.20 -1.61 -3.49 115.11 107.54 1qnd h GLN 96 Ca 0.00 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1qnd h GLN 96 Cb 0.30 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.20 1qnd h GLN 96 CO 0.00 -0.34 -0.04 0.41 -0.67 0.00 0.00 178.83 178.19 1qnd n GLY 97 N 0.39 0.61 0.00 3.46 0.00 0.38 -4.97 105.19 105.05 1qnd n GLY 97 Ca -0.07 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.50 0.19 -3.72 1.61 5.02 -1.18 -4.91 118.16 113.66 1qnd n LYS 98 Ca -0.00 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 1qnd n LYS 98 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.12 -2.36 -4.58 -0.35 7.94 -1.26 -5.00 117.00 110.28 1qnd n LEU 99 Ca 0.05 -0.88 -0.30 0.00 -1.11 0.00 0.00 56.01 53.78 1qnd n LEU 99 Cb 0.04 -1.79 0.23 0.00 0.53 0.00 0.00 43.42 42.44 1qnd n LEU 99 CO 0.05 0.24 0.60 -1.59 -1.11 0.00 0.00 177.39 175.58 1qnd s LYS 100 N -4.74 -1.06 0.45 1.96 -2.85 -1.26 -4.61 119.74 107.63 1qnd s LYS 100 Ca 0.00 0.10 0.06 0.00 -1.00 0.00 0.00 55.97 55.13 1qnd s LYS 100 Cb -0.00 -1.60 -0.03 0.00 -2.06 0.00 0.00 37.83 34.14 1qnd s LYS 100 CO 0.88 -3.64 0.22 0.42 0.10 0.00 0.00 175.35 173.34 1qnd s ILE 101 N -2.91 2.10 0.00 3.79 1.09 -1.26 -4.78 121.20 119.22 1qnd s ILE 101 Ca 0.70 -1.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1qnd s ILE 101 Cb -0.12 -2.75 0.00 0.00 -1.06 0.00 0.00 42.46 38.52 1qnd s ILE 101 CO 0.57 0.00 0.00 0.35 -0.10 0.00 0.00 174.94 175.76 1qnd n THR 102 N -1.37 0.00 0.00 2.92 -2.24 -1.25 -4.58 114.28 107.76 1qnd n THR 102 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1qnd n THR 102 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N 0.00 0.00 3.76 3.38 0.00 -1.26 -5.10 105.19 105.97 1qnd n GLY 103 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 5.56 -0.46 1.61 2.47 -1.26 -4.77 114.94 118.09 1qnd s ASN 104 Ca 0.00 2.40 -0.26 0.00 0.42 0.00 0.00 52.86 55.41 1qnd s ASN 104 Cb 0.00 -2.60 -0.07 0.00 -1.45 0.00 0.00 41.25 37.13 1qnd s ASN 104 CO 0.00 -1.34 2.39 -0.32 -3.72 0.00 0.00 177.10 174.12 1qnd s MET 105 N -3.07 2.19 0.00 0.43 -2.45 -1.26 -2.59 119.30 112.56 1qnd s MET 105 Ca 0.72 1.48 0.00 0.00 -1.25 0.00 0.00 55.69 56.64 1qnd s MET 105 Cb -0.31 -4.57 0.00 0.00 1.25 0.00 0.00 34.83 31.21 1qnd s MET 105 CO 0.35 -3.17 0.00 0.41 1.05 0.00 0.00 175.02 173.66 1qnd n GLY 106 N 5.98 1.19 0.36 2.11 0.00 -1.26 -4.93 105.19 108.64 1qnd n GLY 106 Ca 0.36 -0.32 0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.67 0.99 8.10 -1.75 0.13 115.31 122.11 1qnd h LEU 107 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.85 1qnd h LEU 107 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1qnd h LEU 107 CO 0.00 0.00 -0.58 0.00 -4.11 0.00 0.00 178.44 173.75 1qnd h ALA 108 N 1.25 0.87 0.00 0.17 0.00 -1.84 -3.46 119.26 116.25 1qnd h ALA 108 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1qnd h ALA 108 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1qnd h ALA 108 CO -0.00 0.72 0.00 -0.12 0.00 0.00 0.00 179.25 179.84 1qnd n MET 109 N -3.89 0.00 -1.58 0.00 1.56 -0.20 -4.53 117.12 108.48 1qnd n MET 109 Ca -0.02 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.99 1qnd n MET 109 Cb 0.60 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.95 1qnd n MET 109 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1qnd n LYS 110 N -0.03 2.31 -3.50 2.12 4.01 0.27 -4.78 118.16 118.56 1qnd n LYS 110 Ca 0.00 -2.36 -0.11 0.00 -0.51 0.00 0.00 58.31 55.33 1qnd n LYS 110 Cb 0.00 -3.18 -0.03 0.00 -0.51 0.00 0.00 35.03 31.31 1qnd n LYS 110 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1qnd s LEU 111 N 2.34 -0.31 0.00 -0.35 -0.00 -1.26 -4.46 118.68 114.64 1qnd s LEU 111 Ca 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 54.13 54.53 1qnd s LEU 111 Cb 0.13 2.42 0.00 0.00 -0.00 0.00 0.00 46.19 48.73 1qnd s LEU 111 CO 0.01 -0.97 0.00 0.00 -0.00 0.00 0.00 176.35 175.39 1qnd n GLN 112 N -0.35 0.00 0.10 1.48 6.02 -1.26 -4.90 117.38 118.47 1qnd n GLN 112 Ca -0.16 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.03 1qnd n GLN 112 Cb 0.64 -0.00 0.75 0.00 1.02 0.00 0.00 30.24 32.66 1qnd n GLN 112 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1qnd h ASN 113 N 0.00 0.00 0.38 1.08 4.21 -2.01 -1.69 115.58 117.55 1qnd h ASN 113 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1qnd h ASN 113 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1qnd h ASN 113 CO 0.00 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.03 1qnd n LEU 114 N -3.89 0.13 -2.89 1.61 0.00 -1.26 -1.80 117.00 108.90 1qnd n LEU 114 Ca 0.06 0.54 -0.15 0.00 0.00 0.00 0.00 56.01 56.47 1qnd n LEU 114 Cb 0.54 -0.53 -0.00 0.00 0.00 0.00 0.00 43.42 43.43 1qnd n LEU 114 CO 0.30 -0.40 -0.14 0.00 0.00 0.00 0.00 177.39 177.15 1qnd n GLN 115 N -1.66 1.30 0.00 1.96 6.02 -0.63 -4.82 117.38 119.55 1qnd n GLN 115 Ca 0.02 -3.46 0.00 0.00 -0.01 0.00 0.00 57.00 53.55 1qnd n GLN 115 Cb 0.13 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.84 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 0.05 0.00 -4.61 1.08 -0.00 -0.75 -4.48 117.00 108.30 1qnd n LEU 116 Ca 0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.85 1qnd n LEU 116 Cb 0.72 -0.18 -0.10 0.00 -0.00 0.00 0.00 43.42 43.86 1qnd n LEU 116 CO 0.25 0.00 -0.27 -1.10 -0.00 0.00 0.00 177.39 176.28 1qnd s GLN 117 N -0.36 3.92 1.01 1.47 -0.21 -1.26 -4.22 119.66 120.01 1qnd s GLN 117 Ca 0.00 -0.37 -0.15 0.00 0.02 0.00 0.00 55.36 54.85 1qnd s GLN 117 Cb 0.00 -3.18 0.20 0.00 1.00 0.00 0.00 33.01 31.03 1qnd s GLN 117 CO 0.00 0.25 1.17 -1.25 -2.12 0.00 0.00 175.29 173.34 1qnd s PRO 118 N 0.43 0.33 0.00 2.91 0.04 -1.26 -4.97 135.00 132.48 1qnd s PRO 118 Ca 0.02 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1qnd s PRO 118 Cb -0.13 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1qnd s PRO 118 CO 0.01 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1qnd n GLY 119 N -2.20 2.40 3.66 0.56 0.00 -1.26 -5.08 105.19 103.28 1qnd n GLY 119 Ca 0.10 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1qnd n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qnd s ASN 120 N 0.00 6.92 -0.01 1.61 0.01 -1.26 -4.62 114.94 117.59 1qnd s ASN 120 Ca 0.00 1.72 -0.07 0.00 -0.71 0.00 0.00 52.86 53.80 1qnd s ASN 120 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1qnd s ASN 120 CO 0.00 -0.78 0.13 0.00 -1.51 0.00 0.00 177.10 174.94 1qnd s ALA 121 N 3.56 -0.31 0.03 0.60 0.00 -1.26 -5.17 121.76 119.21 1qnd s ALA 121 Ca 0.56 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 1qnd s ALA 121 Cb -0.22 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 1qnd s ALA 121 CO 0.16 -0.18 0.42 0.21 0.00 0.00 0.00 175.76 176.37 1qnd s LYS 122 N -1.10 3.89 0.00 0.00 2.20 -1.26 -5.14 119.74 118.34 1qnd s LYS 122 Ca -0.12 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1qnd s LYS 122 Cb -0.06 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1qnd s LYS 122 CO 0.01 0.65 0.00 -0.11 -0.36 0.00 0.00 175.35 175.54