#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 -0.93 -0.36 6.43 0.01 -1.26 -4.92 113.70 112.67 1qnd s SER 2 Ca 0.00 0.76 0.06 0.00 1.31 0.00 0.00 55.95 58.08 1qnd s SER 2 Cb 0.00 1.85 0.26 0.00 0.21 0.00 0.00 66.02 68.34 1qnd s SER 2 CO 0.00 -0.18 1.23 0.00 0.41 0.00 0.00 173.24 174.71 1qnd n ALA 3 N 5.37 -0.12 0.39 1.44 0.00 -1.26 -4.91 120.51 121.42 1qnd n ALA 3 Ca -0.06 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.57 1qnd n ALA 3 Cb 0.52 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.59 0.53 -1.91 0.00 2.88 -1.14 -4.99 113.62 108.41 1qnd n SER 4 Ca -0.13 -0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.14 1qnd n SER 4 Cb 0.77 1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 65.25 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 -2.11 -3.77 -3.29 -3.46 8.00 -1.25 -4.85 116.55 105.81 1qnd n ASP 5 Ca 0.00 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1qnd n ASP 5 Cb 0.48 -3.35 -0.08 0.00 -0.02 0.00 0.00 41.12 38.14 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 -0.53 1.99 3.34 0.44 0.00 -1.26 -5.04 105.19 104.12 1qnd n GLY 6 Ca -0.14 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.08 -0.17 -1.04 1.61 0.08 -1.26 -4.94 117.98 112.18 1qnd s PHE 7 Ca 0.33 -0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.31 1qnd s PHE 7 Cb 0.06 0.26 0.35 0.00 -0.57 0.00 0.00 43.02 43.12 1qnd s PHE 7 CO -0.17 -0.73 1.24 1.63 -0.10 0.00 0.00 175.22 177.09 1qnd n LYS 8 N -0.24 0.01 0.00 0.44 5.02 -1.26 -1.88 118.16 120.25 1qnd n LYS 8 Ca -0.15 0.35 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1qnd n LYS 8 Cb 0.64 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.29 1qnd n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qnd n ALA 9 N -1.48 1.43 -0.25 7.82 0.00 -1.26 -3.61 120.51 123.17 1qnd n ALA 9 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1qnd n ALA 9 Cb 0.09 -1.09 0.22 0.00 0.00 0.00 0.00 19.45 18.67 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 0.92 -0.22 0.00 -0.73 -1.78 -1.34 115.58 112.42 1qnd h ASN 10 Ca 0.00 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.00 1qnd h ASN 10 Cb 0.06 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 1qnd h ASN 10 CO 0.00 0.67 -0.38 0.17 -0.37 0.00 0.00 177.43 177.52 1qnd h LEU 11 N 1.08 0.80 0.20 0.34 -0.00 -1.85 -3.26 115.31 112.62 1qnd h LEU 11 Ca 0.29 -0.36 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1qnd h LEU 11 Cb -0.11 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.31 1qnd h LEU 11 CO -0.06 1.09 -0.15 0.58 -0.00 0.00 0.00 178.44 179.91 1qnd h VAL 12 N 0.62 0.69 0.00 0.15 2.07 -1.46 -2.20 116.25 116.12 1qnd h VAL 12 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1qnd h VAL 12 Cb 0.93 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qnd h VAL 12 CO 0.09 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 177.33 1qnd h PHE 13 N -0.35 0.00 0.00 1.57 0.04 -1.59 -3.11 116.94 113.50 1qnd h PHE 13 Ca -0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1qnd h PHE 13 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1qnd h PHE 13 CO -0.10 0.08 -0.56 -0.22 -0.60 0.00 0.00 178.31 176.90 1qnd h LYS 14 N 0.00 0.00 -0.26 1.51 3.64 -1.44 -2.63 116.57 117.39 1qnd h LYS 14 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1qnd h LYS 14 Cb 0.57 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1qnd h LYS 14 CO 0.01 0.56 -0.02 0.93 -2.27 0.00 0.00 179.45 178.67 1qnd h GLU 15 N 0.00 0.06 -0.48 1.90 4.39 -1.43 0.42 114.58 119.43 1qnd h GLU 15 Ca -0.01 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1qnd h GLU 15 Cb 1.19 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1qnd h GLU 15 CO 0.07 0.04 0.09 0.82 -1.16 0.00 0.00 179.01 178.87 1qnd h ILE 16 N 0.06 0.72 0.32 3.13 2.04 -1.69 -2.38 117.51 119.71 1qnd h ILE 16 Ca 0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1qnd h ILE 16 Cb 0.17 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1qnd h ILE 16 CO -0.22 0.04 -0.16 -0.08 0.00 0.00 0.00 178.15 177.73 1qnd h GLU 17 N 0.22 -0.42 -0.19 2.37 4.81 -1.03 -1.65 114.58 118.69 1qnd h GLU 17 Ca 0.24 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1qnd h GLU 17 Cb 0.33 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 1qnd h GLU 17 CO -0.32 -0.24 -0.26 0.87 -0.73 0.00 0.00 179.01 178.32 1qnd h LYS 18 N -0.50 -0.29 -0.44 1.92 1.57 0.18 0.17 116.57 119.18 1qnd h LYS 18 Ca -0.04 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1qnd h LYS 18 Cb 0.37 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1qnd h LYS 18 CO 0.07 -0.19 0.20 -0.22 -0.57 0.00 0.00 179.45 178.74 1qnd h LYS 19 N -0.30 0.39 -0.70 3.15 1.63 -1.45 -0.14 116.57 119.15 1qnd h LYS 19 Ca 0.12 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1qnd h LYS 19 Cb 0.48 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1qnd h LYS 19 CO -0.36 0.26 0.46 -0.07 -3.45 0.00 0.00 179.45 176.29 1qnd h LEU 20 N 0.40 0.56 0.11 5.20 3.38 -0.06 0.54 115.31 125.44 1qnd h LEU 20 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1qnd h LEU 20 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1qnd h LEU 20 CO -0.16 0.35 -0.05 -0.33 0.09 0.00 0.00 178.44 178.33 1qnd h GLU 21 N 0.63 -0.15 -0.55 1.13 4.39 0.08 -0.19 114.58 119.92 1qnd h GLU 21 Ca 0.32 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1qnd h GLU 21 Cb 0.41 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1qnd h GLU 21 CO -0.11 0.30 0.36 0.93 -1.16 0.00 0.00 179.01 179.33 1qnd h GLU 22 N -0.66 0.74 -0.40 2.33 4.39 -0.71 -3.37 114.58 116.90 1qnd h GLU 22 Ca -0.02 -0.05 -0.28 0.00 0.34 0.00 0.00 59.36 59.35 1qnd h GLU 22 Cb 0.51 -0.16 -0.22 0.00 -0.10 0.00 0.00 28.75 28.78 1qnd h GLU 22 CO 0.03 0.50 -0.61 -1.91 -1.16 0.00 0.00 179.01 175.86 1qnd n GLU 23 N -4.69 1.09 -0.01 2.33 2.13 0.15 -5.00 120.64 116.65 1qnd n GLU 23 Ca 0.03 -2.25 0.18 0.00 0.66 0.00 0.00 57.16 55.78 1qnd n GLU 23 Cb 0.03 -0.79 0.64 0.00 0.27 0.00 0.00 31.44 31.59 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 2.64 0.15 0.53 8.31 0.00 -0.98 -2.97 103.07 110.76 1qnd h GLY 24 Ca -0.14 -0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.27 1qnd h GLY 24 CO 0.16 0.02 0.61 1.05 0.00 0.00 0.00 176.54 178.37 1qnd h GLU 25 N 0.10 0.87 0.00 4.80 4.11 -1.78 0.24 114.58 122.92 1qnd h GLU 25 Ca 0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1qnd h GLU 25 Cb 0.85 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1qnd h GLU 25 CO -0.02 0.58 -0.10 0.37 0.07 0.00 0.00 179.01 179.90 1qnd h GLN 26 N 0.90 0.00 0.02 1.06 4.15 -1.85 -3.24 115.11 116.16 1qnd h GLN 26 Ca 0.47 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.61 1qnd h GLN 26 Cb 0.53 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1qnd h GLN 26 CO -0.23 0.00 -1.57 0.74 -1.93 0.00 0.00 178.83 175.84 1qnd h PHE 27 N 0.00 0.09 -0.22 3.99 -1.00 -0.94 -3.33 116.94 115.54 1qnd h PHE 27 Ca 0.00 -0.07 0.06 0.00 2.81 0.00 0.00 57.97 60.77 1qnd h PHE 27 Cb 0.96 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.45 1qnd h PHE 27 CO 0.00 1.11 -0.33 0.28 -1.61 0.00 0.00 178.31 177.76 1qnd h VAL 28 N 0.01 0.26 0.00 -0.55 2.07 -0.68 -2.45 116.25 114.90 1qnd h VAL 28 Ca -0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1qnd h VAL 28 Cb 1.97 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1qnd h VAL 28 CO 0.10 0.00 0.00 0.07 0.02 0.00 0.00 177.57 177.76 1qnd h LYS 29 N -0.36 0.00 0.01 1.57 2.10 -1.66 -0.99 116.57 117.24 1qnd h LYS 29 Ca 0.12 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1qnd h LYS 29 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1qnd h LYS 29 CO -0.41 0.00 -0.01 0.87 -2.00 0.00 0.00 179.45 177.90 1qnd h LYS 30 N 0.00 -0.02 0.02 0.07 1.57 -1.58 -3.42 116.57 113.21 1qnd h LYS 30 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qnd h LYS 30 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qnd h LYS 30 CO 0.00 0.10 -0.01 0.82 -0.57 0.00 0.00 179.45 179.79 1qnd h ILE 31 N -1.00 0.00 -4.92 1.86 2.04 -1.55 -3.49 117.51 110.45 1qnd h ILE 31 Ca -0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1qnd h ILE 31 Cb 0.13 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1qnd h ILE 31 CO 0.00 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.67 1qnd n GLY 32 N 1.76 -1.10 0.00 5.37 0.00 -0.39 -4.76 105.19 106.07 1qnd n GLY 32 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.32 3.82 3.73 -0.02 0.00 -1.04 -4.95 105.19 105.42 1qnd n GLY 33 Ca 0.02 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 3.77 0.22 -0.61 1.09 -1.26 -4.20 121.20 118.21 1qnd s ILE 34 Ca 0.00 1.45 0.06 0.00 -1.10 0.00 0.00 60.65 61.06 1qnd s ILE 34 Cb 0.00 -3.93 -0.05 0.00 -1.06 0.00 0.00 42.46 37.42 1qnd s ILE 34 CO 0.00 0.21 -0.07 0.72 -0.10 0.00 0.00 174.94 175.70 1qnd s PHE 35 N 0.11 1.66 0.23 3.97 -0.12 -0.96 -1.01 117.98 121.87 1qnd s PHE 35 Ca 0.53 -0.74 0.10 0.00 -0.05 0.00 0.00 56.93 56.77 1qnd s PHE 35 Cb -0.31 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 1qnd s PHE 35 CO 0.35 0.18 -0.07 0.00 -0.05 0.00 0.00 175.22 175.62 1qnd s ALA 36 N -3.17 3.01 -0.58 1.99 0.00 -0.96 -0.72 121.76 121.33 1qnd s ALA 36 Ca 0.25 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 1qnd s ALA 36 Cb 0.03 -0.68 0.15 0.00 0.00 0.00 0.00 23.12 22.61 1qnd s ALA 36 CO 0.08 0.35 0.46 -0.06 0.00 0.00 0.00 175.76 176.59 1qnd s PHE 37 N -2.10 3.47 -0.44 0.00 0.08 -0.14 -2.04 117.98 116.81 1qnd s PHE 37 Ca 0.28 -1.99 -0.29 0.00 0.12 0.00 0.00 56.93 55.06 1qnd s PHE 37 Cb -0.07 -3.54 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 1qnd s PHE 37 CO 0.17 -0.97 1.44 0.21 -0.10 0.00 0.00 175.22 175.97 1qnd s LYS 38 N 0.89 3.49 -0.40 0.44 2.47 -1.13 -3.86 119.74 121.63 1qnd s LYS 38 Ca 0.10 0.87 0.03 0.00 -1.56 0.00 0.00 55.97 55.40 1qnd s LYS 38 Cb -0.22 -4.06 0.12 0.00 -1.46 0.00 0.00 37.83 32.20 1qnd s LYS 38 CO -0.02 -1.67 0.16 0.08 0.16 0.00 0.00 175.35 174.05 1qnd s VAL 39 N 5.70 1.84 0.61 4.02 1.01 -0.98 -3.40 120.40 129.20 1qnd s VAL 39 Ca 0.61 -2.45 0.03 0.00 0.00 0.00 0.00 61.98 60.17 1qnd s VAL 39 Cb -0.13 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1qnd s VAL 39 CO 0.31 -0.74 0.84 -1.59 0.00 0.00 0.00 175.10 173.92 1qnd s LYS 40 N 0.62 2.20 -1.24 2.72 -2.85 -1.26 -0.58 119.74 119.34 1qnd s LYS 40 Ca 0.14 -1.11 -0.08 0.00 -1.00 0.00 0.00 55.97 53.92 1qnd s LYS 40 Cb -0.22 -2.48 0.01 0.00 -2.06 0.00 0.00 37.83 33.08 1qnd s LYS 40 CO -0.07 -0.97 1.08 -3.47 0.10 0.00 0.00 175.35 172.02 1qnd n ASP 41 N -2.46 -5.79 -4.10 0.03 2.03 -1.05 -0.69 116.55 104.52 1qnd n ASP 41 Ca 0.12 -0.50 -0.29 0.00 0.52 0.00 0.00 54.79 54.64 1qnd n ASP 41 Cb 0.60 -4.69 0.27 0.00 -0.72 0.00 0.00 41.12 36.58 1qnd n ASP 41 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1qnd s GLY 42 N -3.36 1.49 -0.98 0.27 0.00 -0.44 -4.37 107.32 99.93 1qnd s GLY 42 Ca 0.51 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.58 1qnd s GLY 42 CO 0.67 0.44 2.01 2.56 0.00 0.00 0.00 173.10 178.78 1qnd s PRO 43 N -4.67 2.33 0.00 2.90 0.04 -1.26 -1.23 135.00 133.11 1qnd s PRO 43 Ca 0.69 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1qnd s PRO 43 Cb -0.21 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1qnd s PRO 43 CO 0.62 -3.82 0.00 0.41 0.04 0.00 0.00 177.00 174.25 1qnd n GLY 44 N 6.51 1.25 0.00 0.56 0.00 -1.26 -4.78 105.19 107.47 1qnd n GLY 44 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.50 0.90 -0.02 0.00 -0.36 -5.10 105.19 102.11 1qnd n GLY 45 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N 0.00 -1.34 -4.29 1.61 5.02 -1.26 -3.94 118.16 113.96 1qnd n LYS 46 Ca 0.00 -0.46 -0.22 0.00 -2.02 0.00 0.00 58.31 55.62 1qnd n LYS 46 Cb 0.00 -0.40 -0.13 0.00 -0.02 0.00 0.00 35.03 34.48 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1qnd s GLU 47 N -3.65 1.02 0.37 1.97 1.03 -1.26 -1.32 118.70 116.86 1qnd s GLU 47 Ca 0.18 -1.02 0.07 0.00 0.03 0.00 0.00 54.97 54.23 1qnd s GLU 47 Cb -0.02 -1.15 -0.00 0.00 -0.80 0.00 0.00 34.13 32.16 1qnd s GLU 47 CO 0.14 0.27 0.50 0.00 -1.33 0.00 0.00 175.26 174.83 1qnd s ALA 48 N -1.13 4.33 -0.25 -0.84 0.00 0.26 -2.86 121.76 121.26 1qnd s ALA 48 Ca 0.03 -1.56 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1qnd s ALA 48 Cb -0.10 -1.62 0.13 0.00 0.00 0.00 0.00 23.12 21.54 1qnd s ALA 48 CO 0.03 -0.13 0.49 0.99 0.00 0.00 0.00 175.76 177.14 1qnd s THR 49 N -2.25 -0.79 0.50 0.00 2.01 -1.26 -2.31 115.64 111.55 1qnd s THR 49 Ca 0.49 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1qnd s THR 49 Cb -0.09 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1qnd s THR 49 CO 0.32 -0.02 0.79 0.26 -0.69 0.00 0.00 174.62 175.28 1qnd s TRP 50 N 2.71 3.40 0.04 4.92 0.23 -1.25 -3.32 118.94 125.66 1qnd s TRP 50 Ca 0.07 0.62 0.06 0.00 -2.03 0.00 0.00 56.10 54.83 1qnd s TRP 50 Cb -0.14 -2.42 -0.02 0.00 0.03 0.00 0.00 33.47 30.92 1qnd s TRP 50 CO -0.17 -0.45 -0.18 0.08 0.96 0.00 0.00 176.95 177.20 1qnd s VAL 51 N -2.76 1.44 -0.22 4.03 1.01 -0.64 -0.97 120.40 122.28 1qnd s VAL 51 Ca 0.49 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1qnd s VAL 51 Cb -0.10 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1qnd s VAL 51 CO 0.43 0.12 -0.00 -0.69 0.00 0.00 0.00 175.10 174.95 1qnd s VAL 52 N -0.83 1.08 -0.20 2.92 1.01 0.10 -0.44 120.40 124.05 1qnd s VAL 52 Ca 0.05 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 1qnd s VAL 52 Cb -0.08 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1qnd s VAL 52 CO 0.02 -0.19 0.79 -0.62 0.00 0.00 0.00 175.10 175.09 1qnd s ASP 53 N 1.59 6.86 -0.34 3.32 -1.08 -0.38 -2.26 116.67 124.38 1qnd s ASP 53 Ca -0.03 1.06 0.16 0.00 -0.52 0.00 0.00 52.55 53.23 1qnd s ASP 53 Cb -0.18 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.30 1qnd s ASP 53 CO -0.08 -0.41 1.04 1.33 0.52 0.00 0.00 175.17 177.57 1qnd n VAL 54 N 4.87 0.76 0.00 1.11 0.24 -1.26 -0.82 118.33 123.23 1qnd n VAL 54 Ca 0.04 -2.72 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 1qnd n VAL 54 Cb 0.49 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.18 0.00 -3.50 7.34 0.00 -1.26 -2.49 118.16 118.07 1qnd n LYS 55 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 58.01 1qnd n LYS 55 Cb 0.82 -0.07 -0.07 0.00 0.00 0.00 0.00 35.03 35.72 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 -1.36 6.52 0.93 3.14 0.01 -1.26 -4.86 114.94 118.06 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 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.46 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 3.14 1.91 0.21 0.66 0.00 -1.26 -1.67 105.19 108.18 1qnd n GLY 57 Ca -0.11 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 6.66 1.26 -0.17 1.61 5.02 -1.26 -4.96 118.16 126.32 1qnd n LYS 58 Ca 0.00 -0.40 0.01 0.00 -2.02 0.00 0.00 58.31 55.90 1qnd n LYS 58 Cb 0.00 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnd n GLY 59 N 0.75 -2.78 3.62 0.72 0.00 -0.67 -2.78 105.19 104.04 1qnd n GLY 59 Ca 0.07 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.02 -0.31 0.53 1.61 0.01 -0.00 -4.74 113.70 106.78 1qnd s SER 60 Ca 0.00 0.49 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1qnd s SER 60 Cb 0.00 0.45 -0.06 0.00 0.21 0.00 0.00 66.02 66.62 1qnd s SER 60 CO 0.00 -0.18 1.05 -0.69 0.41 0.00 0.00 173.24 173.83 1qnd s VAL 61 N -0.41 3.79 -0.36 3.43 1.01 -1.26 -1.25 120.40 125.34 1qnd s VAL 61 Ca 0.03 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.01 1qnd s VAL 61 Cb -0.03 -3.42 0.14 0.00 0.00 0.00 0.00 36.38 33.07 1qnd s VAL 61 CO -0.05 -0.36 0.23 -0.76 0.00 0.00 0.00 175.10 174.16 1qnd s LEU 62 N -3.93 1.13 0.33 3.92 1.43 0.41 -4.90 118.68 117.07 1qnd s LEU 62 Ca 0.66 -2.33 -0.29 0.00 -1.03 0.00 0.00 54.13 51.14 1qnd s LEU 62 Cb -0.16 -0.43 -0.11 0.00 0.03 0.00 0.00 46.19 45.52 1qnd s LEU 62 CO 0.27 -0.29 1.40 -2.16 0.23 0.00 0.00 176.35 175.80 1qnd s PRO 63 N 0.89 4.25 -1.49 1.29 0.04 -1.26 -1.62 135.00 137.11 1qnd s PRO 63 Ca 0.20 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1qnd s PRO 63 Cb -0.19 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1qnd s PRO 63 CO -0.02 -0.35 0.00 0.09 0.04 0.00 0.00 177.00 176.76 1qnd n ASN 64 N 1.01 -4.25 -4.78 6.66 3.02 -1.21 -4.85 115.26 110.87 1qnd n ASN 64 Ca 0.02 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.47 1qnd n ASN 64 Cb 0.41 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.19 6.97 0.04 6.41 0.15 -1.22 -4.95 113.70 118.90 1qnd s SER 65 Ca 0.00 1.98 0.26 0.00 0.70 0.00 0.00 55.95 58.89 1qnd s SER 65 Cb 0.00 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.49 1qnd s SER 65 CO 0.00 -0.34 1.61 -0.90 1.20 0.00 0.00 173.24 174.81 1qnd n ASP 66 N 0.17 0.38 -4.66 5.45 5.75 -1.26 -4.94 116.55 117.44 1qnd n ASP 66 Ca 0.04 0.14 -0.30 0.00 -0.01 0.00 0.00 54.79 54.66 1qnd n ASP 66 Cb 0.50 -0.12 0.17 0.00 -1.03 0.00 0.00 41.12 40.63 1qnd n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qnd s LYS 67 N -3.03 0.77 0.00 0.11 1.02 -1.26 -5.05 119.74 112.30 1qnd s LYS 67 Ca 0.11 0.98 0.00 0.00 0.02 0.00 0.00 55.97 57.08 1qnd s LYS 67 Cb 0.17 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.74 1qnd s LYS 67 CO 0.63 -2.62 0.00 0.36 -0.92 0.00 0.00 175.35 172.80 1qnd n LYS 68 N -4.17 -0.53 -4.23 1.68 2.85 -1.26 -5.12 118.16 107.39 1qnd n LYS 68 Ca 0.07 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.15 1qnd n LYS 68 Cb 0.54 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.85 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 -3.46 1.55 -0.07 0.58 0.00 -1.26 -4.97 121.76 114.12 1qnd s ALA 69 Ca 0.00 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.81 1qnd s ALA 69 Cb 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 23.12 24.33 1qnd s ALA 69 CO 0.00 -0.69 0.93 -0.44 0.00 0.00 0.00 175.76 175.56 1qnd h ASP 70 N 2.17 -0.07 -2.24 0.00 3.32 -1.43 -3.48 116.42 114.68 1qnd h ASP 70 Ca -0.27 -0.55 -0.08 0.00 0.02 0.00 0.00 57.03 56.15 1qnd h ASP 70 Cb 1.24 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1qnd h ASP 70 CO 0.38 0.58 -0.04 0.00 -1.72 0.00 0.00 179.24 178.44 1qnd s THR 72 N -2.55 0.60 0.47 0.00 2.01 -1.26 -2.28 115.64 112.63 1qnd s THR 72 Ca 0.08 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.11 1qnd s THR 72 Cb -0.00 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1qnd s THR 72 CO 0.06 0.00 0.07 -0.51 -0.69 0.00 0.00 174.62 173.55 1qnd s ILE 73 N -3.16 0.83 0.25 1.82 2.07 -0.87 -3.65 121.20 118.48 1qnd s ILE 73 Ca 0.21 -2.00 0.08 0.00 -1.41 0.00 0.00 60.65 57.53 1qnd s ILE 73 Cb 0.02 -2.22 -0.05 0.00 0.13 0.00 0.00 42.46 40.34 1qnd s ILE 73 CO 0.14 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.16 1qnd s THR 74 N -3.04 1.80 0.00 4.00 2.01 -1.26 -2.84 115.64 116.31 1qnd s THR 74 Ca 0.14 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 59.94 1qnd s THR 74 Cb 0.02 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1qnd s THR 74 CO 0.09 -0.45 0.00 0.80 -0.69 0.00 0.00 174.62 174.37 1qnd n MET 75 N -0.50 0.00 0.00 4.92 1.56 -1.22 -4.64 117.12 117.25 1qnd n MET 75 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 1qnd n MET 75 Cb 0.62 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.99 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1qnd n ALA 76 N -2.50 0.00 0.30 -5.12 0.00 -1.26 -4.52 120.51 107.40 1qnd n ALA 76 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1qnd n ALA 76 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.62 -0.73 0.00 1.82 -1.11 -0.64 116.42 115.14 1qnd h ASP 77 Ca 0.00 -0.03 0.14 0.00 -0.39 0.00 0.00 57.03 56.75 1qnd h ASP 77 Cb 0.00 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.12 1qnd h ASP 77 CO 0.00 -0.36 0.49 -1.28 -1.61 0.00 0.00 179.24 176.47 1qnd h SER 78 N -0.85 0.40 0.62 2.28 0.87 -1.83 0.93 113.55 115.97 1qnd h SER 78 Ca -0.07 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1qnd h SER 78 Cb 0.61 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1qnd h SER 78 CO 0.12 0.22 -0.30 0.44 -0.53 0.00 0.00 176.83 176.78 1qnd h ASP 79 N 0.43 -0.71 -0.25 6.23 5.19 -1.75 0.15 116.42 125.71 1qnd h ASP 79 Ca 0.35 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.80 1qnd h ASP 79 Cb 0.77 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.41 1qnd h ASP 79 CO -0.11 -0.35 -0.11 -0.26 -3.12 0.00 0.00 179.24 175.30 1qnd h PHE 80 N -1.11 -0.25 0.00 4.55 -1.00 0.14 -0.94 116.94 118.33 1qnd h PHE 80 Ca -0.09 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 1qnd h PHE 80 Cb 0.68 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 1qnd h PHE 80 CO 0.00 -0.17 -0.26 -0.07 -1.61 0.00 0.00 178.31 176.21 1qnd h LEU 81 N -0.07 0.00 -0.47 1.54 -0.00 -0.93 -1.51 115.31 113.88 1qnd h LEU 81 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.91 1qnd h LEU 81 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1qnd h LEU 81 CO -0.30 0.26 -0.48 0.00 -0.00 0.00 0.00 178.44 177.92 1qnd h ALA 82 N 1.74 0.80 -0.76 1.53 0.00 -0.39 -3.39 119.26 118.79 1qnd h ALA 82 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1qnd h ALA 82 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qnd h ALA 82 CO 0.03 0.60 0.00 -0.11 0.00 0.00 0.00 179.25 179.77 1qnd n LEU 83 N -3.38 0.41 -2.47 0.00 0.00 -0.41 -1.27 117.00 109.88 1qnd n LEU 83 Ca 0.01 0.61 -0.17 0.00 0.00 0.00 0.00 56.01 56.45 1qnd n LEU 83 Cb 0.64 -0.37 -0.10 0.00 0.00 0.00 0.00 43.42 43.58 1qnd n LEU 83 CO 0.39 -0.37 1.94 1.15 0.00 0.00 0.00 177.39 180.49 1qnd n MET 84 N -1.62 2.11 0.00 1.96 0.00 -0.87 -1.79 117.12 116.91 1qnd n MET 84 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 57.70 56.52 1qnd n MET 84 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.06 1qnd n MET 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1qnd n THR 85 N 2.99 0.00 -2.95 3.17 -2.24 -1.26 -4.86 114.28 109.12 1qnd n THR 85 Ca 0.45 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 62.08 1qnd n THR 85 Cb 0.57 0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1qnd n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 86 N 0.00 -0.06 1.96 3.38 0.00 -0.74 -1.38 105.19 108.35 1qnd n GLY 86 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.11 4.06 -2.27 1.61 4.81 -0.39 -4.86 118.16 118.00 1qnd n LYS 87 Ca -0.04 -3.04 -0.04 0.00 -0.87 0.00 0.00 58.31 54.33 1qnd n LYS 87 Cb 0.56 -2.22 -0.03 0.00 0.02 0.00 0.00 35.03 33.36 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 0.11 -3.13 -3.20 1.64 1.56 -1.09 -4.85 117.12 108.16 1qnd n MET 88 Ca 0.36 2.52 -0.23 0.00 -0.27 0.00 0.00 57.70 60.08 1qnd n MET 88 Cb 1.32 -3.87 -0.06 0.00 2.15 0.00 0.00 33.22 32.76 1qnd n MET 88 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1qnd n ASN 89 N 1.10 0.45 -4.30 6.12 2.85 -1.25 -4.73 115.26 115.50 1qnd n ASN 89 Ca -0.27 -2.78 -0.32 0.00 -0.11 0.00 0.00 54.58 51.11 1qnd n ASN 89 Cb 0.41 -0.64 -0.07 0.00 1.24 0.00 0.00 39.78 40.73 1qnd n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1qnd n PRO 90 N 1.20 1.40 -3.49 1.20 -0.04 -1.26 -4.32 135.00 129.69 1qnd n PRO 90 Ca 0.22 -2.20 -0.25 0.00 -0.04 0.00 0.00 63.50 61.23 1qnd n PRO 90 Cb 0.54 -3.50 0.04 0.00 -0.04 0.00 0.00 33.50 30.55 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 7.94 -5.81 0.26 0.54 7.27 -1.26 -4.85 117.38 121.46 1qnd n GLN 91 Ca 0.46 0.74 0.12 0.00 0.07 0.00 0.00 57.00 58.39 1qnd n GLN 91 Cb 0.45 -5.66 0.64 0.00 2.41 0.00 0.00 30.24 28.09 1qnd n GLN 91 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1qnd h SER 92 N -1.93 0.00 -0.61 1.69 0.87 -1.96 -0.25 113.55 111.37 1qnd h SER 92 Ca -0.54 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.19 1qnd h SER 92 Cb 1.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 1qnd h SER 92 CO 0.59 0.00 0.48 0.00 -0.53 0.00 0.00 176.83 177.38 1qnd h ALA 93 N 1.36 2.50 0.00 6.23 0.00 -1.83 -0.70 119.26 126.82 1qnd h ALA 93 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qnd h ALA 93 Cb 0.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1qnd h ALA 93 CO 0.00 -0.80 -0.01 0.35 0.00 0.00 0.00 179.25 178.79 1qnd h PHE 94 N 0.00 0.00 -0.42 0.00 3.57 -1.39 -1.28 116.94 117.42 1qnd h PHE 94 Ca 0.29 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.88 1qnd h PHE 94 Cb 1.25 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.91 1qnd h PHE 94 CO 0.00 0.00 -0.19 0.35 -2.23 0.00 0.00 178.31 176.24 1qnd h PHE 95 N -0.34 -0.46 0.00 0.41 3.04 -1.41 -1.30 116.94 116.88 1qnd h PHE 95 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1qnd h PHE 95 Cb 0.01 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1qnd h PHE 95 CO -0.00 -0.27 0.00 1.04 -2.02 0.00 0.00 178.31 177.06 1qnd n GLN 96 N -5.38 0.04 -2.06 1.11 6.02 -0.35 -4.83 117.38 111.93 1qnd n GLN 96 Ca 0.03 0.28 -0.01 0.00 -0.01 0.00 0.00 57.00 57.28 1qnd n GLN 96 Cb 0.29 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 1qnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qnd n GLY 97 N -0.36 0.36 0.36 1.08 0.00 -0.49 -4.97 105.19 101.17 1qnd n GLY 97 Ca 0.03 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.09 1.05 -2.95 1.61 4.76 -1.23 -5.05 118.16 115.26 1qnd n LYS 98 Ca -0.01 -0.73 -0.09 0.00 -2.87 0.00 0.00 58.31 54.61 1qnd n LYS 98 Cb 0.51 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 1qnd n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1qnd n LEU 99 N -0.34 -6.63 -4.59 -0.35 7.94 -0.57 -4.86 117.00 107.60 1qnd n LEU 99 Ca 0.12 0.74 -0.29 0.00 -1.11 0.00 0.00 56.01 55.46 1qnd n LEU 99 Cb 0.40 -2.89 0.21 0.00 0.53 0.00 0.00 43.42 41.66 1qnd n LEU 99 CO 0.26 -2.21 0.59 -1.59 -1.11 0.00 0.00 177.39 173.33 1qnd s LYS 100 N -2.04 -0.08 0.09 1.96 0.00 -0.70 -4.37 119.74 114.60 1qnd s LYS 100 Ca 0.15 0.78 0.01 0.00 0.00 0.00 0.00 55.97 56.91 1qnd s LYS 100 Cb -0.03 -1.66 -0.00 0.00 0.00 0.00 0.00 37.83 36.14 1qnd s LYS 100 CO 0.69 -3.15 0.04 -0.89 0.00 0.00 0.00 175.35 172.04 1qnd n ILE 101 N -4.50 0.00 -3.75 3.79 2.08 -1.26 -4.77 119.36 110.95 1qnd n ILE 101 Ca 0.05 -0.54 -0.28 0.00 0.56 0.00 0.00 62.75 62.54 1qnd n ILE 101 Cb 0.55 0.21 -0.03 0.00 -0.75 0.00 0.00 39.64 39.62 1qnd n ILE 101 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1qnd s THR 102 N -1.96 5.23 0.00 1.39 -4.23 -1.24 -4.77 115.64 110.06 1qnd s THR 102 Ca 0.05 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1qnd s THR 102 Cb 0.00 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1qnd s THR 102 CO 0.04 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1qnd n GLY 103 N -0.52 0.82 0.00 3.99 0.00 -1.26 -4.08 105.19 104.14 1qnd n GLY 103 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qnd n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 104 N 0.00 0.00 0.00 1.61 2.85 -1.26 -4.81 115.26 113.64 1qnd n ASN 104 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qnd n ASN 104 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1qnd n ASN 104 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1qnd n MET 105 N 0.00 0.00 -1.24 1.20 0.00 -1.26 -4.97 117.12 110.84 1qnd n MET 105 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1qnd n MET 105 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qnd n GLY 106 N 0.00 3.89 0.02 -5.12 0.00 -1.26 -4.59 105.19 98.13 1qnd n GLY 106 Ca 0.00 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.58 1qnd n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qnd n LEU 107 N 1.25 0.09 0.28 0.99 -0.00 -1.26 -2.10 117.00 116.25 1qnd n LEU 107 Ca 0.43 0.52 0.14 0.00 -0.00 0.00 0.00 56.01 57.10 1qnd n LEU 107 Cb 0.65 -0.50 0.84 0.00 -0.00 0.00 0.00 43.42 44.41 1qnd n LEU 107 CO 0.27 -0.23 1.07 0.00 -0.00 0.00 0.00 177.39 178.51 1qnd h ALA 108 N 2.58 1.47 0.00 1.47 0.00 -2.00 -3.35 119.26 119.44 1qnd h ALA 108 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1qnd h ALA 108 Cb 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1qnd h ALA 108 CO 0.00 0.05 -2.37 -1.33 0.00 0.00 0.00 179.25 175.60 1qnd n MET 109 N -3.82 0.74 -0.51 0.00 2.81 -0.89 -4.31 117.12 111.14 1qnd n MET 109 Ca -0.03 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1qnd n MET 109 Cb 0.13 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1qnd n MET 109 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qnd n LYS 110 N -2.82 1.01 0.12 0.03 5.02 -1.25 -4.52 118.16 115.75 1qnd n LYS 110 Ca -0.34 -0.20 0.11 0.00 -2.02 0.00 0.00 58.31 55.85 1qnd n LYS 110 Cb 1.12 -1.30 0.47 0.00 -0.02 0.00 0.00 35.03 35.30 1qnd n LYS 110 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1qnd n LEU 111 N 1.85 0.60 0.00 -0.35 -0.00 -1.26 -4.49 117.00 113.35 1qnd n LEU 111 Ca 0.09 0.65 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1qnd n LEU 111 Cb 0.49 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1qnd n LEU 111 CO 0.04 -0.53 0.18 0.00 -0.00 0.00 0.00 177.39 177.07 1qnd n GLN 112 N -2.16 0.00 -0.12 1.47 1.13 -1.26 -2.17 117.38 114.27 1qnd n GLN 112 Ca 0.02 0.36 -0.25 0.00 -1.94 0.00 0.00 57.00 55.19 1qnd n GLN 112 Cb 0.22 -0.75 -0.11 0.00 0.11 0.00 0.00 30.24 29.71 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1qnd n ASN 113 N -0.82 1.94 0.24 1.08 4.13 -1.26 -4.17 115.26 116.41 1qnd n ASN 113 Ca 0.00 0.30 0.17 0.00 1.68 0.00 0.00 54.58 56.73 1qnd n ASN 113 Cb 0.00 -0.83 0.85 0.00 -1.54 0.00 0.00 39.78 38.26 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1qnd h LEU 114 N -0.81 0.00 -4.56 3.41 6.46 -1.79 -1.33 115.31 116.69 1qnd h LEU 114 Ca -0.55 0.00 -0.48 0.00 -0.12 0.00 0.00 57.88 56.73 1qnd h LEU 114 Cb 1.58 0.00 -0.42 0.00 -0.73 0.00 0.00 40.66 41.09 1qnd h LEU 114 CO -0.28 0.00 -0.92 0.00 -0.62 0.00 0.00 178.44 176.63 1qnd n GLN 115 N -2.66 2.73 -0.96 1.25 6.02 -0.92 -4.53 117.38 118.30 1qnd n GLN 115 Ca -0.02 -3.99 0.04 0.00 -0.01 0.00 0.00 57.00 53.02 1qnd n GLN 115 Cb 0.09 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 29.38 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 -0.47 -0.44 -4.73 1.08 -0.00 -0.50 -4.40 117.00 107.53 1qnd n LEU 116 Ca 0.29 0.89 -0.41 0.00 -0.00 0.00 0.00 56.01 56.78 1qnd n LEU 116 Cb 0.80 -2.06 -0.04 0.00 -0.00 0.00 0.00 43.42 42.11 1qnd n LEU 116 CO 0.30 -0.58 0.70 -1.10 -0.00 0.00 0.00 177.39 176.71 1qnd s GLN 117 N -4.69 4.69 0.77 1.47 -1.52 -1.26 -4.72 119.66 114.40 1qnd s GLN 117 Ca 0.00 1.53 -0.13 0.00 -1.95 0.00 0.00 55.36 54.81 1qnd s GLN 117 Cb 0.00 -3.34 0.18 0.00 -0.22 0.00 0.00 33.01 29.64 1qnd s GLN 117 CO 0.00 0.21 0.83 -0.35 -0.25 0.00 0.00 175.29 175.73 1qnd n PRO 118 N 2.52 -1.76 0.00 2.91 -0.04 -1.26 -4.81 135.00 132.56 1qnd n PRO 118 Ca 0.02 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1qnd n PRO 118 Cb 0.48 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.81 1.65 2.74 0.55 0.00 -0.48 -4.95 105.19 102.89 1qnd n GLY 119 Ca 0.11 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.14 -8.03 0.41 1.61 5.15 -1.26 -4.95 115.26 108.05 1qnd n ASN 120 Ca 0.00 1.28 -0.16 0.00 -0.60 0.00 0.00 54.58 55.09 1qnd n ASN 120 Cb 0.00 -5.36 -0.08 0.00 -0.53 0.00 0.00 39.78 33.81 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qnd h ALA 121 N 2.86 -1.12 -0.89 5.20 0.00 -1.95 -3.44 119.26 119.93 1qnd h ALA 121 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1qnd h ALA 121 Cb 0.18 0.41 -0.21 0.00 0.00 0.00 0.00 17.79 18.18 1qnd h ALA 121 CO 0.12 -1.05 -0.22 0.21 0.00 0.00 0.00 179.25 178.31 1qnd s LYS 122 N -5.07 0.50 0.00 0.00 2.20 -1.26 -4.93 119.74 111.18 1qnd s LYS 122 Ca -0.15 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1qnd s LYS 122 Cb 0.02 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.78 1qnd s LYS 122 CO 0.46 -0.62 0.00 -0.11 -0.36 0.00 0.00 175.35 174.73