#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 0.00 -4.06 6.43 3.41 -1.26 -5.03 113.62 113.10 1qnd n SER 2 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1qnd n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnd s ALA 3 N -1.42 0.54 0.00 7.33 0.00 -1.26 -4.58 121.76 122.37 1qnd s ALA 3 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1qnd s ALA 3 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1qnd s ALA 3 CO 0.00 -0.09 0.00 0.43 0.00 0.00 0.00 175.76 176.10 1qnd n SER 4 N 1.24 0.00 -2.84 0.00 7.64 -1.18 -5.01 113.62 113.48 1qnd n SER 4 Ca -0.21 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.50 1qnd n SER 4 Cb 0.56 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qnd n ASP 5 N 0.00 -3.94 -3.42 6.43 8.00 -1.26 -4.86 116.55 117.49 1qnd n ASP 5 Ca 0.00 -0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 1qnd n ASP 5 Cb 0.00 -3.30 -0.11 0.00 -0.02 0.00 0.00 41.12 37.69 1qnd n ASP 5 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qnd s GLY 6 N -2.34 1.05 0.26 0.44 0.00 -1.26 -4.82 107.32 100.65 1qnd s GLY 6 Ca 0.17 -2.20 -0.14 0.00 0.00 0.00 0.00 44.72 42.55 1qnd s GLY 6 CO 0.22 2.11 0.54 -1.36 0.00 0.00 0.00 173.10 174.61 1qnd s PHE 7 N 0.50 0.25 0.42 1.90 0.40 -1.26 -5.01 117.98 115.19 1qnd s PHE 7 Ca 0.26 -0.64 0.14 0.00 -0.60 0.00 0.00 56.93 56.09 1qnd s PHE 7 Cb -0.08 0.32 0.94 0.00 0.51 0.00 0.00 43.02 44.71 1qnd s PHE 7 CO -0.11 -1.07 1.95 -0.22 0.70 0.00 0.00 175.22 176.47 1qnd h LYS 8 N 2.18 0.00 0.00 0.44 3.64 -1.97 -2.37 116.57 118.49 1qnd h LYS 8 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1qnd h LYS 8 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1qnd h LYS 8 CO 0.33 0.23 0.17 0.00 -2.27 0.00 0.00 179.45 177.91 1qnd n ALA 9 N -2.49 0.70 -0.35 5.00 0.00 -1.26 -2.22 120.51 119.90 1qnd n ALA 9 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1qnd n ALA 9 Cb 0.29 -0.75 0.25 0.00 0.00 0.00 0.00 19.45 19.24 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 0.83 -0.35 0.00 -0.73 -1.74 -0.77 115.58 112.82 1qnd h ASN 10 Ca 0.00 0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.16 1qnd h ASN 10 Cb 0.34 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 1qnd h ASN 10 CO 0.00 0.41 -0.04 0.17 -0.37 0.00 0.00 177.43 177.60 1qnd h LEU 11 N 0.89 0.72 0.89 0.34 -0.00 -1.72 -3.29 115.31 113.14 1qnd h LEU 11 Ca 0.50 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 58.15 1qnd h LEU 11 Cb 0.58 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1qnd h LEU 11 CO -0.30 0.81 -0.43 0.58 -0.00 0.00 0.00 178.44 179.11 1qnd h VAL 12 N 0.69 0.04 0.00 0.15 2.07 -1.33 -3.01 116.25 114.87 1qnd h VAL 12 Ca 0.13 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1qnd h VAL 12 Cb 0.48 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1qnd h VAL 12 CO 0.02 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.28 1qnd h PHE 13 N -1.29 0.00 0.00 1.57 0.04 -1.63 -0.77 116.94 114.87 1qnd h PHE 13 Ca -0.12 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.59 1qnd h PHE 13 Cb 0.92 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1qnd h PHE 13 CO -0.00 0.07 -0.28 -0.22 -0.60 0.00 0.00 178.31 177.28 1qnd h LYS 14 N 0.00 0.00 -0.49 1.51 3.64 -1.60 -0.83 116.57 118.81 1qnd h LYS 14 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1qnd h LYS 14 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1qnd h LYS 14 CO 0.01 0.28 -0.14 0.93 -2.27 0.00 0.00 179.45 178.26 1qnd h GLU 15 N 0.00 0.95 -0.11 1.90 4.39 -1.01 0.41 114.58 121.12 1qnd h GLU 15 Ca -0.00 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1qnd h GLU 15 Cb 0.73 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1qnd h GLU 15 CO 0.04 1.04 0.04 0.82 -1.16 0.00 0.00 179.01 179.78 1qnd h ILE 16 N 0.80 1.16 -0.44 3.13 2.04 -1.52 -2.29 117.51 120.40 1qnd h ILE 16 Ca 0.12 -0.49 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1qnd h ILE 16 Cb 0.70 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 1qnd h ILE 16 CO 0.05 0.14 -0.10 -0.08 0.00 0.00 0.00 178.15 178.16 1qnd h GLU 17 N -0.00 0.01 -0.95 2.37 4.81 -1.10 -1.68 114.58 118.03 1qnd h GLU 17 Ca 0.03 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1qnd h GLU 17 Cb 0.20 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1qnd h GLU 17 CO -0.00 0.00 0.62 -0.22 -0.73 0.00 0.00 179.01 178.68 1qnd h LYS 18 N 0.01 1.16 -0.17 1.92 1.63 0.39 0.31 116.57 121.81 1qnd h LYS 18 Ca 0.21 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1qnd h LYS 18 Cb 0.32 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1qnd h LYS 18 CO -0.45 0.77 0.03 -0.22 -3.45 0.00 0.00 179.45 176.12 1qnd h LYS 19 N 1.20 0.29 -0.61 1.90 1.63 -1.31 -2.26 116.57 117.41 1qnd h LYS 19 Ca 0.38 -0.08 0.12 0.00 -0.85 0.00 0.00 60.65 60.22 1qnd h LYS 19 Cb 0.00 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1qnd h LYS 19 CO -0.12 0.46 0.41 -0.07 -3.45 0.00 0.00 179.45 176.68 1qnd h LEU 20 N 0.08 0.30 0.20 5.20 3.38 0.07 -1.06 115.31 123.48 1qnd h LEU 20 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1qnd h LEU 20 Cb 0.31 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1qnd h LEU 20 CO 0.00 0.17 -0.10 -0.33 0.09 0.00 0.00 178.44 178.28 1qnd h GLU 21 N 0.33 -0.26 -0.59 1.13 4.39 -0.33 0.19 114.58 119.44 1qnd h GLU 21 Ca 0.29 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.10 1qnd h GLU 21 Cb 0.68 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.32 1qnd h GLU 21 CO -0.07 0.01 0.21 0.93 -1.16 0.00 0.00 179.01 178.93 1qnd h GLU 22 N -0.51 0.37 0.00 2.33 5.08 -0.63 -3.39 114.58 117.83 1qnd h GLU 22 Ca -0.03 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1qnd h GLU 22 Cb 0.39 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.41 1qnd h GLU 22 CO 0.04 0.24 -0.27 -1.91 -1.00 0.00 0.00 179.01 176.11 1qnd n GLU 23 N -5.02 1.06 0.21 2.33 2.13 -0.62 -5.01 120.64 115.73 1qnd n GLU 23 Ca 0.08 -1.65 0.13 0.00 0.66 0.00 0.00 57.16 56.39 1qnd n GLU 23 Cb 0.27 -0.03 0.74 0.00 0.27 0.00 0.00 31.44 32.69 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 1.86 0.00 1.98 8.31 0.00 -0.73 -2.51 103.07 111.98 1qnd h GLY 24 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1qnd h GLY 24 CO -0.09 0.00 0.01 1.05 0.00 0.00 0.00 176.54 177.51 1qnd h GLU 25 N 0.00 0.00 0.13 4.80 4.11 -1.79 0.22 114.58 122.05 1qnd h GLU 25 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.24 1qnd h GLU 25 Cb 0.29 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.57 1qnd h GLU 25 CO -0.00 0.00 -1.09 0.37 0.07 0.00 0.00 179.01 178.36 1qnd h GLN 26 N 0.00 0.51 -0.34 1.06 -0.00 -1.80 -3.27 115.11 111.27 1qnd h GLN 26 Ca 0.00 -0.72 -0.10 0.00 -0.00 0.00 0.00 58.65 57.83 1qnd h GLN 26 Cb 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1qnd h GLN 26 CO -0.00 1.32 -0.20 0.74 0.00 0.00 0.00 178.83 180.69 1qnd h PHE 27 N 0.05 0.71 -0.89 3.99 -1.00 -1.24 -1.51 116.94 117.06 1qnd h PHE 27 Ca -0.17 -0.15 0.17 0.00 2.81 0.00 0.00 57.97 60.64 1qnd h PHE 27 Cb 1.80 -0.18 -0.10 0.00 3.61 0.00 0.00 35.95 41.08 1qnd h PHE 27 CO 0.14 0.79 0.46 0.28 -1.61 0.00 0.00 178.31 178.37 1qnd h VAL 28 N 0.57 0.66 0.00 -0.55 2.07 -0.76 -1.04 116.25 117.21 1qnd h VAL 28 Ca 0.09 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1qnd h VAL 28 Cb 0.65 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1qnd h VAL 28 CO 0.05 0.11 -0.23 0.11 0.02 0.00 0.00 177.57 177.62 1qnd h LYS 29 N 0.59 0.00 0.00 1.57 1.79 -1.32 0.11 116.57 119.32 1qnd h LYS 29 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1qnd h LYS 29 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1qnd h LYS 29 CO -0.41 0.23 -0.68 1.63 -1.08 0.00 0.00 179.45 179.15 1qnd n LYS 30 N -3.36 0.25 -0.00 3.15 4.76 -0.42 -4.39 118.16 118.15 1qnd n LYS 30 Ca 0.00 0.06 -0.04 0.00 -2.87 0.00 0.00 58.31 55.46 1qnd n LYS 30 Cb 0.45 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 31.98 1qnd n LYS 30 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1qnd n ILE 31 N -2.00 0.81 -2.78 -0.18 -0.00 -1.03 -4.87 119.36 109.31 1qnd n ILE 31 Ca 0.03 0.14 -0.11 0.00 -0.00 0.00 0.00 62.75 62.81 1qnd n ILE 31 Cb 0.42 -1.66 0.05 0.00 -0.00 0.00 0.00 39.64 38.45 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 2.86 -0.60 3.16 7.39 0.00 0.39 -4.75 105.19 113.65 1qnd n GLY 32 Ca -0.07 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.30 0.45 3.68 -0.02 0.00 -0.34 -4.88 105.19 102.78 1qnd n GLY 33 Ca -0.05 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.08 4.42 0.24 -0.61 1.09 -1.26 -0.64 121.20 122.36 1qnd s ILE 34 Ca 0.22 -0.20 0.05 0.00 -1.10 0.00 0.00 60.65 59.62 1qnd s ILE 34 Cb -0.01 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.45 1qnd s ILE 34 CO 0.01 0.59 -0.03 0.72 -0.10 0.00 0.00 174.94 176.12 1qnd s PHE 35 N -0.70 1.69 0.36 3.97 -0.12 -0.68 -1.02 117.98 121.48 1qnd s PHE 35 Ca 0.11 -0.82 0.08 0.00 -0.05 0.00 0.00 56.93 56.26 1qnd s PHE 35 Cb -0.12 -0.96 -0.05 0.00 -0.63 0.00 0.00 43.02 41.27 1qnd s PHE 35 CO 0.02 0.10 0.12 0.00 -0.05 0.00 0.00 175.22 175.41 1qnd s ALA 36 N -3.25 3.44 -0.36 1.99 0.00 -0.67 -0.71 121.76 122.20 1qnd s ALA 36 Ca 0.28 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.33 1qnd s ALA 36 Cb 0.05 -0.55 0.11 0.00 0.00 0.00 0.00 23.12 22.72 1qnd s ALA 36 CO 0.09 -0.01 0.09 -0.06 0.00 0.00 0.00 175.76 175.88 1qnd s PHE 37 N -2.49 3.15 -0.42 0.00 0.08 -0.58 -2.68 117.98 115.04 1qnd s PHE 37 Ca 0.38 -2.71 -0.29 0.00 0.12 0.00 0.00 56.93 54.43 1qnd s PHE 37 Cb -0.00 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1qnd s PHE 37 CO 0.22 -0.90 1.50 0.15 -0.10 0.00 0.00 175.22 176.08 1qnd s LYS 38 N 0.90 3.47 -0.44 0.44 3.01 -0.10 -3.74 119.74 123.29 1qnd s LYS 38 Ca 0.12 0.96 0.03 0.00 -1.01 0.00 0.00 55.97 56.07 1qnd s LYS 38 Cb -0.20 -4.08 0.12 0.00 -1.01 0.00 0.00 37.83 32.67 1qnd s LYS 38 CO -0.11 -1.69 0.19 0.08 0.51 0.00 0.00 175.35 174.33 1qnd s VAL 39 N 5.87 2.19 0.63 3.17 1.01 -0.76 -3.11 120.40 129.40 1qnd s VAL 39 Ca 0.64 -2.79 0.05 0.00 0.00 0.00 0.00 61.98 59.88 1qnd s VAL 39 Cb -0.15 -2.56 0.10 0.00 0.00 0.00 0.00 36.38 33.78 1qnd s VAL 39 CO 0.32 -0.75 0.87 -1.59 0.00 0.00 0.00 175.10 173.95 1qnd s LYS 40 N 0.28 2.06 -1.53 2.72 -2.85 -1.26 -1.76 119.74 117.39 1qnd s LYS 40 Ca 0.15 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 1qnd s LYS 40 Cb -0.23 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 1qnd s LYS 40 CO -0.04 -1.09 0.00 -3.47 0.10 0.00 0.00 175.35 170.85 1qnd n ASP 41 N -2.48 -4.82 -2.23 0.03 2.03 -0.63 -0.53 116.55 107.93 1qnd n ASP 41 Ca 0.15 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1qnd n ASP 41 Cb 0.61 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 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 -1.03 -1.26 3.55 0.27 0.00 -1.24 -4.56 105.19 100.93 1qnd n GLY 42 Ca -0.17 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.52 2.15 0.00 1.61 0.04 -1.26 -0.50 135.00 134.53 1qnd s PRO 43 Ca 0.00 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1qnd s PRO 43 Cb 0.00 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1qnd s PRO 43 CO 0.00 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 173.98 1qnd n GLY 44 N 6.26 1.72 2.50 0.56 0.00 -1.26 -4.88 105.19 110.08 1qnd n GLY 44 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 3.11 1.58 -0.02 0.00 0.34 -4.98 105.19 105.22 1qnd n GLY 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N -1.68 -1.07 -4.26 1.61 5.02 -1.26 -2.19 118.16 114.33 1qnd n LYS 46 Ca 0.00 -0.43 -0.14 0.00 -2.02 0.00 0.00 58.31 55.72 1qnd n LYS 46 Cb 0.00 -0.79 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.74 1.10 0.37 1.97 -1.05 -1.26 -1.60 118.70 115.49 1qnd s GLU 47 Ca 0.20 -1.49 0.04 0.00 -0.15 0.00 0.00 54.97 53.56 1qnd s GLU 47 Cb -0.03 -0.56 -0.04 0.00 -0.44 0.00 0.00 34.13 33.05 1qnd s GLU 47 CO 0.17 0.02 0.08 0.00 0.95 0.00 0.00 175.26 176.48 1qnd s ALA 48 N -3.39 2.69 0.04 -0.84 0.00 -0.73 -3.08 121.76 116.45 1qnd s ALA 48 Ca 0.19 -1.63 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 1qnd s ALA 48 Cb 0.04 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1qnd s ALA 48 CO 0.02 -0.30 -0.01 0.99 0.00 0.00 0.00 175.76 176.46 1qnd s THR 49 N -3.24 0.18 0.10 0.00 2.01 -1.26 -1.83 115.64 111.60 1qnd s THR 49 Ca 0.30 -1.45 0.08 0.00 0.31 0.00 0.00 61.69 60.93 1qnd s THR 49 Cb 0.06 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1qnd s THR 49 CO 0.14 -0.80 -0.21 0.26 -0.69 0.00 0.00 174.62 173.32 1qnd s TRP 50 N -3.07 1.82 -0.04 4.92 0.51 -1.25 -3.97 118.94 117.87 1qnd s TRP 50 Ca -0.01 -0.41 -0.01 0.00 -2.12 0.00 0.00 56.10 53.55 1qnd s TRP 50 Cb 0.02 -1.00 -0.04 0.00 -0.81 0.00 0.00 33.47 31.64 1qnd s TRP 50 CO -0.07 0.21 0.03 0.08 -0.51 0.00 0.00 176.95 176.70 1qnd s VAL 51 N -1.14 4.47 -0.21 4.03 1.01 -0.65 -1.53 120.40 126.37 1qnd s VAL 51 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1qnd s VAL 51 Cb -0.10 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.37 1qnd s VAL 51 CO 0.04 0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1qnd s VAL 52 N -1.05 1.12 -0.15 2.92 1.01 0.11 -0.98 120.40 123.38 1qnd s VAL 52 Ca 0.18 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1qnd s VAL 52 Cb -0.12 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1qnd s VAL 52 CO 0.08 -0.12 1.14 -0.62 0.00 0.00 0.00 175.10 175.58 1qnd s ASP 53 N 1.59 7.07 -0.32 3.32 -1.08 -0.12 -1.68 116.67 125.45 1qnd s ASP 53 Ca -0.04 1.61 0.17 0.00 -0.52 0.00 0.00 52.55 53.77 1qnd s ASP 53 Cb -0.18 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.20 1qnd s ASP 53 CO -0.07 -0.64 1.04 1.33 0.52 0.00 0.00 175.17 177.35 1qnd n VAL 54 N 5.02 1.38 0.00 1.11 0.24 0.19 -1.93 118.33 124.34 1qnd n VAL 54 Ca 0.12 -3.35 0.00 0.00 -2.04 0.00 0.00 64.34 59.06 1qnd n VAL 54 Cb 0.46 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.33 0.00 -2.99 7.34 0.00 -1.05 -1.20 118.16 119.93 1qnd n LYS 55 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.03 1qnd n LYS 55 Cb 0.80 -0.20 -0.05 0.00 0.00 0.00 0.00 35.03 35.58 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 -4.33 6.23 1.20 3.14 0.01 -1.26 -4.76 114.94 115.18 1qnd s ASN 56 Ca 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 1qnd s ASN 56 Cb 0.00 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1qnd s ASN 56 CO 0.00 -1.16 0.00 0.61 -1.51 0.00 0.00 177.10 175.04 1qnd n GLY 57 N 5.22 3.15 0.00 0.66 0.00 -1.26 -0.07 105.19 112.89 1qnd n GLY 57 Ca -0.04 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 11.60 0.36 0.00 1.61 5.02 -1.26 -4.52 118.16 130.97 1qnd n LYS 58 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1qnd n LYS 58 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.61 0.96 0.00 0.72 0.00 0.90 -3.38 105.19 105.00 1qnd n GLY 59 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1qnd n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qnd n SER 60 N 9.02 0.00 -4.83 1.61 7.64 -0.81 -4.86 113.62 121.39 1qnd n SER 60 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1qnd n SER 60 Cb 0.00 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1qnd n SER 60 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qnd s VAL 61 N -2.84 4.26 -0.40 0.44 1.01 -1.26 -0.94 120.40 120.66 1qnd s VAL 61 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1qnd s VAL 61 Cb 0.00 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.96 1qnd s VAL 61 CO 0.00 -0.84 0.35 -0.76 0.00 0.00 0.00 175.10 173.85 1qnd s LEU 62 N -4.98 0.68 0.62 3.92 1.43 -0.15 -4.86 118.68 115.34 1qnd s LEU 62 Ca 0.58 -2.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.13 1qnd s LEU 62 Cb -0.13 0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 1qnd s LEU 62 CO 0.47 -0.21 1.14 -2.16 0.23 0.00 0.00 176.35 175.82 1qnd s PRO 63 N 0.70 2.92 -1.49 1.29 0.04 -1.26 -1.64 135.00 135.56 1qnd s PRO 63 Ca 0.25 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1qnd s PRO 63 Cb -0.08 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1qnd s PRO 63 CO -0.09 -1.19 0.00 0.09 0.04 0.00 0.00 177.00 175.85 1qnd n ASN 64 N -1.97 -4.16 -4.81 6.66 3.02 -1.25 -4.83 115.26 107.91 1qnd n ASN 64 Ca 0.12 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.60 1qnd n ASN 64 Cb 0.51 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 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 7.08 0.00 6.41 0.15 -1.24 -4.95 113.70 118.96 1qnd s SER 65 Ca 0.00 1.59 0.29 0.00 0.70 0.00 0.00 55.95 58.53 1qnd s SER 65 Cb 0.00 -2.49 1.34 0.00 -1.71 0.00 0.00 66.02 63.16 1qnd s SER 65 CO 0.00 -0.12 1.91 -0.67 1.20 0.00 0.00 173.24 175.56 1qnd n ASP 66 N 0.21 0.95 -4.76 5.45 2.03 -1.26 -4.90 116.55 114.26 1qnd n ASP 66 Ca 0.02 -1.28 -0.41 0.00 0.52 0.00 0.00 54.79 53.64 1qnd n ASP 66 Cb 0.52 -0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.29 2.60 -0.66 -0.67 4.81 -1.26 -5.01 118.16 117.68 1qnd n LYS 67 Ca 0.20 0.91 -0.20 0.00 -0.87 0.00 0.00 58.31 58.36 1qnd n LYS 67 Cb 0.27 -2.62 0.17 0.00 0.02 0.00 0.00 35.03 32.86 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1qnd n LYS 68 N 0.54 -2.47 -3.85 1.64 2.85 -1.26 -5.02 118.16 110.59 1qnd n LYS 68 Ca 0.02 -1.14 -0.09 0.00 -1.05 0.00 0.00 58.31 56.05 1qnd n LYS 68 Cb 0.38 -1.08 -0.07 0.00 -0.65 0.00 0.00 35.03 33.61 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 -2.97 -0.27 0.15 0.58 0.00 -1.26 -4.94 121.76 113.05 1qnd s ALA 69 Ca 0.46 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1qnd s ALA 69 Cb -0.05 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1qnd s ALA 69 CO 0.36 -0.50 1.38 0.22 0.00 0.00 0.00 175.76 177.22 1qnd h ASP 70 N 2.79 0.63 -2.97 0.00 3.58 -1.44 -3.48 116.42 115.53 1qnd h ASP 70 Ca -0.34 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 56.56 1qnd h ASP 70 Cb 1.20 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1qnd h ASP 70 CO 0.55 1.18 0.02 0.00 -2.88 0.00 0.00 179.24 178.11 1qnd n THR 72 N -0.41 0.00 -3.77 0.00 -1.04 -1.26 -1.68 114.28 106.13 1qnd n THR 72 Ca -0.02 -0.68 -0.13 0.00 -2.04 0.00 0.00 64.05 61.18 1qnd n THR 72 Cb 0.43 0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 69.11 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 -2.09 0.04 -0.17 12.58 -1.16 -1.09 -3.82 121.20 125.49 1qnd s ILE 73 Ca 0.07 -0.34 -0.07 0.00 -0.51 0.00 0.00 60.65 59.81 1qnd s ILE 73 Cb 0.00 -0.54 -0.04 0.00 0.61 0.00 0.00 42.46 42.49 1qnd s ILE 73 CO 0.05 -0.18 0.06 -0.89 -2.81 0.00 0.00 174.94 171.17 1qnd s THR 74 N -0.83 4.79 0.00 4.00 2.01 -1.26 -0.92 115.64 123.43 1qnd s THR 74 Ca -0.09 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1qnd s THR 74 Cb -0.04 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1qnd s THR 74 CO 0.03 0.48 0.00 0.23 -0.69 0.00 0.00 174.62 174.67 1qnd n MET 75 N 3.36 0.00 0.00 4.92 2.81 -1.18 -4.32 117.12 122.71 1qnd n MET 75 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 75 Cb 0.52 -0.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.91 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 -2.47 0.00 -0.17 3.04 0.00 -1.24 -4.39 120.51 115.29 1qnd n ALA 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1qnd n ALA 76 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 0.09 0.25 0.00 1.82 -1.07 0.15 116.42 117.66 1qnd h ASP 77 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1qnd h ASP 77 Cb 0.00 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1qnd h ASP 77 CO 0.00 0.07 0.00 0.28 -1.61 0.00 0.00 179.24 177.98 1qnd h SER 78 N 0.30 0.00 0.00 2.28 0.02 -1.80 0.06 113.55 114.41 1qnd h SER 78 Ca 0.26 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.94 1qnd h SER 78 Cb 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1qnd h SER 78 CO -0.30 0.00 -2.02 -0.67 -1.14 0.00 0.00 176.83 172.70 1qnd n ASP 79 N -2.89 2.27 0.16 3.07 2.03 -0.33 -3.99 116.55 116.87 1qnd n ASP 79 Ca -0.02 -0.07 -0.14 0.00 0.52 0.00 0.00 54.79 55.09 1qnd n ASP 79 Cb 0.12 0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.48 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qnd h PHE 80 N 0.00 -0.38 -0.53 -0.67 0.04 -0.64 -3.24 116.94 111.52 1qnd h PHE 80 Ca -0.40 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1qnd h PHE 80 Cb 1.70 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.95 1qnd h PHE 80 CO 0.02 -0.07 0.22 1.25 -0.60 0.00 0.00 178.31 179.13 1qnd h LEU 81 N -0.70 0.69 -1.17 1.54 5.85 -1.21 -2.89 115.31 117.41 1qnd h LEU 81 Ca -0.04 -0.08 0.27 0.00 0.84 0.00 0.00 57.88 58.87 1qnd h LEU 81 Cb 0.48 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 1qnd h LEU 81 CO 0.07 0.61 0.64 0.00 -0.34 0.00 0.00 178.44 179.42 1qnd h ALA 82 N 1.49 2.02 -1.24 1.25 0.00 -1.69 -2.29 119.26 118.82 1qnd h ALA 82 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qnd h ALA 82 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qnd h ALA 82 CO -0.02 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.03 1qnd n LEU 83 N -4.78 0.00 -2.38 0.00 4.32 -1.09 -0.44 117.00 112.63 1qnd n LEU 83 Ca 0.27 0.79 -0.15 0.00 -0.02 0.00 0.00 56.01 56.90 1qnd n LEU 83 Cb 0.84 -0.29 -0.11 0.00 -1.62 0.00 0.00 43.42 42.24 1qnd n LEU 83 CO 0.20 -0.29 1.81 1.15 -1.22 0.00 0.00 177.39 179.04 1qnd n MET 84 N -1.50 2.00 0.00 3.23 0.00 -0.91 -1.79 117.12 118.15 1qnd n MET 84 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 57.70 56.61 1qnd n MET 84 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.12 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 2.89 0.00 -0.42 3.17 -2.24 -0.93 -5.00 114.28 111.75 1qnd n THR 85 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1qnd n THR 85 Cb 0.62 1.51 0.00 0.00 -2.10 0.00 0.00 70.33 70.36 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 1.15 0.40 3.38 0.00 -0.74 -4.53 105.19 104.86 1qnd n GLY 86 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1qnd n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qnd h LYS 87 N 3.43 -0.95 -6.82 1.61 3.64 -1.67 -3.46 116.57 112.36 1qnd h LYS 87 Ca 0.00 0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.88 1qnd h LYS 87 Cb 0.00 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 31.87 1qnd h LYS 87 CO 0.00 -0.62 -0.91 0.00 -2.27 0.00 0.00 179.45 175.65 1qnd n MET 88 N -5.44 -2.21 -1.77 1.90 0.00 0.41 -4.90 117.12 105.12 1qnd n MET 88 Ca -0.13 0.26 -0.42 0.00 0.00 0.00 0.00 57.70 57.42 1qnd n MET 88 Cb 0.40 -4.33 -0.02 0.00 0.00 0.00 0.00 33.22 29.27 1qnd n MET 88 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1qnd s ASN 89 N -4.07 6.38 -0.03 3.17 -0.87 -1.26 -4.85 114.94 113.40 1qnd s ASN 89 Ca 0.22 2.92 -0.30 0.00 -1.57 0.00 0.00 52.86 54.13 1qnd s ASN 89 Cb -0.12 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.44 1qnd s ASN 89 CO 0.95 -0.93 1.34 -2.16 -2.57 0.00 0.00 177.10 173.73 1qnd s PRO 90 N -0.03 4.30 -1.25 -0.60 0.04 -1.26 -3.48 135.00 132.71 1qnd s PRO 90 Ca 0.66 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 63.30 1qnd s PRO 90 Cb -0.48 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.50 1qnd s PRO 90 CO 0.43 -0.55 0.51 1.04 0.04 0.00 0.00 177.00 178.47 1qnd n GLN 91 N 5.45 -0.37 0.02 4.56 1.13 -1.26 -4.77 117.38 122.15 1qnd n GLN 91 Ca 0.13 0.04 0.02 0.00 -1.94 0.00 0.00 57.00 55.25 1qnd n GLN 91 Cb 0.44 -2.57 0.37 0.00 0.11 0.00 0.00 30.24 28.59 1qnd n GLN 91 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1qnd h SER 92 N -2.33 0.43 1.23 1.08 4.64 -1.96 -2.40 113.55 114.25 1qnd h SER 92 Ca -0.68 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.56 1qnd h SER 92 Cb 1.36 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1qnd h SER 92 CO 0.54 0.44 -0.11 0.00 -0.87 0.00 0.00 176.83 176.83 1qnd h ALA 93 N 1.63 0.98 -0.06 5.18 0.00 -1.88 0.57 119.26 125.68 1qnd h ALA 93 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1qnd h ALA 93 Cb 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1qnd h ALA 93 CO -0.00 0.14 -0.66 0.35 0.00 0.00 0.00 179.25 179.07 1qnd h PHE 94 N 0.00 0.77 0.36 0.00 3.57 -1.81 -1.88 116.94 117.95 1qnd h PHE 94 Ca -0.00 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 1qnd h PHE 94 Cb 0.75 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1qnd h PHE 94 CO 0.00 1.19 -0.17 0.35 -2.23 0.00 0.00 178.31 177.44 1qnd h PHE 95 N 0.13 -0.45 0.00 0.41 3.04 -0.91 -3.04 116.94 116.13 1qnd h PHE 95 Ca -0.07 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1qnd h PHE 95 Cb 1.33 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.98 1qnd h PHE 95 CO 0.12 -0.28 -0.06 1.96 -2.02 0.00 0.00 178.31 178.03 1qnd h GLN 96 N -0.50 0.00 -5.56 1.11 4.20 -1.12 -3.47 115.11 109.76 1qnd h GLN 96 Ca -0.05 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.29 1qnd h GLN 96 Cb 0.37 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.29 1qnd h GLN 96 CO 0.08 0.06 -0.65 0.41 -0.67 0.00 0.00 178.83 178.06 1qnd n GLY 97 N -0.36 -0.45 0.00 3.46 0.00 -0.71 -4.96 105.19 102.17 1qnd n GLY 97 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1qnd n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 98 N -4.68 0.00 -2.69 1.61 4.76 -1.22 -4.86 118.16 111.08 1qnd n LYS 98 Ca -0.02 0.17 -0.06 0.00 -2.87 0.00 0.00 58.31 55.53 1qnd n LYS 98 Cb 0.57 -1.06 0.08 0.00 -1.84 0.00 0.00 35.03 32.78 1qnd n LYS 98 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1qnd n LEU 99 N -1.01 -1.72 -4.76 -0.35 -0.00 -1.26 -5.17 117.00 102.73 1qnd n LEU 99 Ca 0.00 -2.92 -0.30 0.00 -0.00 0.00 0.00 56.01 52.79 1qnd n LEU 99 Cb 0.00 0.50 0.11 0.00 -0.00 0.00 0.00 43.42 44.03 1qnd n LEU 99 CO 0.00 1.71 0.69 -1.59 -0.00 0.00 0.00 177.39 178.19 1qnd s LYS 100 N 0.15 1.88 0.36 1.47 0.00 -1.26 -4.19 119.74 118.15 1qnd s LYS 100 Ca 0.17 0.91 0.07 0.00 0.00 0.00 0.00 55.97 57.13 1qnd s LYS 100 Cb 0.28 -1.87 -0.07 0.00 0.00 0.00 0.00 37.83 36.17 1qnd s LYS 100 CO -0.07 -1.84 -0.02 0.42 0.00 0.00 0.00 175.35 173.84 1qnd s ILE 101 N -2.97 1.90 0.68 3.79 1.09 -1.26 -4.78 121.20 119.65 1qnd s ILE 101 Ca 0.62 -2.08 -0.04 0.00 -1.10 0.00 0.00 60.65 58.05 1qnd s ILE 101 Cb -0.17 -2.79 0.07 0.00 -1.06 0.00 0.00 42.46 38.51 1qnd s ILE 101 CO 0.56 -0.10 0.97 0.42 -0.10 0.00 0.00 174.94 176.69 1qnd s THR 102 N -2.81 2.33 0.00 2.92 -4.23 -1.25 -4.66 115.64 107.95 1qnd s THR 102 Ca 0.34 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1qnd s THR 102 Cb 0.07 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1qnd s THR 102 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1qnd n GLY 103 N -2.82 0.00 0.00 3.99 0.00 -1.26 -4.13 105.19 100.97 1qnd n GLY 103 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.01 0.00 0.00 1.61 5.15 -1.26 -4.81 115.26 115.94 1qnd n ASN 104 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qnd n ASN 104 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1qnd n ASN 104 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qnd n MET 105 N 0.00 0.00 -0.87 1.20 2.81 -1.26 -5.02 117.12 113.99 1qnd n MET 105 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 105 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.57 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qnd n GLY 106 N 0.00 4.04 0.27 3.03 0.00 -1.26 -4.62 105.19 106.65 1qnd n GLY 106 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 1.93 0.30 0.00 0.99 -0.00 -1.95 -1.52 115.31 115.05 1qnd h LEU 107 Ca 0.35 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 1qnd h LEU 107 Cb 1.31 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 1qnd h LEU 107 CO 0.80 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 179.38 1qnd n ALA 108 N -2.49 2.36 -2.67 0.17 0.00 -1.26 -3.83 120.51 112.79 1qnd n ALA 108 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1qnd n ALA 108 Cb 0.37 -1.35 0.09 0.00 0.00 0.00 0.00 19.45 18.55 1qnd n ALA 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1qnd n MET 109 N -0.96 0.94 0.01 0.00 1.56 -0.93 -4.91 117.12 112.84 1qnd n MET 109 Ca 0.16 -1.32 -0.13 0.00 -0.27 0.00 0.00 57.70 56.14 1qnd n MET 109 Cb 0.07 0.08 -0.09 0.00 2.15 0.00 0.00 33.22 35.43 1qnd n MET 109 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1qnd h LYS 110 N 1.46 -0.05 -2.69 2.12 1.63 -1.40 -3.48 116.57 114.15 1qnd h LYS 110 Ca -0.36 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.54 1qnd h LYS 110 Cb 1.27 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1qnd h LYS 110 CO -0.12 0.36 0.46 -0.48 -3.45 0.00 0.00 179.45 176.22 1qnd s LEU 111 N -9.37 -0.01 0.00 5.20 2.34 -1.26 -5.06 118.68 110.51 1qnd s LEU 111 Ca -0.15 -0.82 0.00 0.00 0.06 0.00 0.00 54.13 53.22 1qnd s LEU 111 Cb 0.02 2.37 0.00 0.00 -0.56 0.00 0.00 46.19 48.02 1qnd s LEU 111 CO 0.65 -1.24 0.91 0.00 -1.06 0.00 0.00 176.35 175.62 1qnd n GLN 112 N -0.62 0.00 0.00 1.48 3.00 -1.26 -2.84 117.38 117.14 1qnd n GLN 112 Ca -0.05 0.63 0.05 0.00 -0.01 0.00 0.00 57.00 57.62 1qnd n GLN 112 Cb 0.60 -1.41 0.29 0.00 0.00 0.00 0.00 30.24 29.71 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1qnd n ASN 113 N -2.13 0.00 -0.11 1.08 4.13 -1.26 -0.08 115.26 116.90 1qnd n ASN 113 Ca 0.00 -0.02 0.15 0.00 1.68 0.00 0.00 54.58 56.39 1qnd n ASN 113 Cb 0.00 -0.20 0.69 0.00 -1.54 0.00 0.00 39.78 38.73 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1qnd n LEU 114 N -1.20 0.41 -2.64 3.41 0.00 -1.13 -4.51 117.00 111.34 1qnd n LEU 114 Ca 0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 56.01 56.02 1qnd n LEU 114 Cb 0.07 -0.15 0.08 0.00 0.00 0.00 0.00 43.42 43.43 1qnd n LEU 114 CO 0.08 0.07 0.54 1.67 0.00 0.00 0.00 177.39 179.75 1qnd n GLN 115 N -0.91 0.93 -1.05 1.96 7.27 0.89 -4.79 117.38 121.68 1qnd n GLN 115 Ca 0.17 -1.40 0.14 0.00 0.07 0.00 0.00 57.00 55.97 1qnd n GLN 115 Cb 0.25 0.03 -0.04 0.00 2.41 0.00 0.00 30.24 32.89 1qnd n GLN 115 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1qnd n LEU 116 N -0.68 -0.52 -4.81 1.69 4.77 -1.11 -4.43 117.00 111.91 1qnd n LEU 116 Ca -0.11 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.71 1qnd n LEU 116 Cb 0.79 -3.34 -0.01 0.00 -2.33 0.00 0.00 43.42 38.53 1qnd n LEU 116 CO -0.10 -2.63 0.71 -1.10 -1.33 0.00 0.00 177.39 172.94 1qnd s GLN 117 N -2.14 3.55 1.23 3.23 1.11 -1.26 -4.17 119.66 121.21 1qnd s GLN 117 Ca 0.00 1.21 -0.19 0.00 0.01 0.00 0.00 55.36 56.39 1qnd s GLN 117 Cb 0.00 -2.07 0.30 0.00 -1.01 0.00 0.00 33.01 30.23 1qnd s GLN 117 CO 0.00 -0.62 1.05 -1.25 0.01 0.00 0.00 175.29 174.48 1qnd s PRO 118 N -3.84 -1.46 0.00 2.91 0.04 -1.26 -4.93 135.00 126.46 1qnd s PRO 118 Ca 0.64 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1qnd s PRO 118 Cb -0.15 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1qnd s PRO 118 CO 0.31 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.85 1qnd n GLY 119 N -0.16 -1.58 3.65 0.56 0.00 -1.26 -5.08 105.19 101.32 1qnd n GLY 119 Ca 0.11 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 1qnd n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnd s ASN 120 N 0.00 6.41 -1.06 1.61 3.84 -1.26 -3.15 114.94 121.33 1qnd s ASN 120 Ca 0.00 2.48 -0.15 0.00 0.21 0.00 0.00 52.86 55.40 1qnd s ASN 120 Cb 0.00 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.19 1qnd s ASN 120 CO 0.00 -1.11 0.28 0.00 -2.79 0.00 0.00 177.10 173.48 1qnd n ALA 121 N 7.82 -2.03 -1.58 1.71 0.00 -1.26 -4.78 120.51 120.39 1qnd n ALA 121 Ca 0.20 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1qnd n ALA 121 Cb 0.42 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1qnd n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qnd n LYS 122 N -3.99 2.50 0.00 0.00 0.00 -1.19 -5.24 118.16 110.25 1qnd n LYS 122 Ca -0.16 -2.41 0.16 0.00 0.00 0.00 0.00 58.31 55.90 1qnd n LYS 122 Cb 0.48 -3.19 0.90 0.00 0.00 0.00 0.00 35.03 33.22 1qnd n LYS 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68