#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 -4.58 -3.46 2.88 -1.26 -5.08 113.62 102.12 1qnd n SER 2 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1qnd n SER 2 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qnd s ALA 3 N -1.31 0.21 0.00 -1.46 0.00 -1.26 -4.93 121.76 113.01 1qnd s ALA 3 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1qnd s ALA 3 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1qnd s ALA 3 CO 0.00 -3.37 0.00 -1.13 0.00 0.00 0.00 175.76 171.26 1qnd n SER 4 N -4.57 0.00 -1.61 0.00 3.41 -1.26 -3.70 113.62 105.90 1qnd n SER 4 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1qnd n SER 4 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1qnd n SER 4 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qnd n ASP 5 N 0.00 -1.49 -3.16 4.04 5.75 -1.26 -4.68 116.55 115.75 1qnd n ASP 5 Ca 0.00 0.21 -0.15 0.00 -0.01 0.00 0.00 54.79 54.84 1qnd n ASP 5 Cb 0.00 -1.58 -0.05 0.00 -1.03 0.00 0.00 41.12 38.45 1qnd n ASP 5 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qnd s GLY 6 N -1.60 -0.06 0.13 6.12 0.00 -1.26 -5.10 107.32 105.55 1qnd s GLY 6 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.28 1qnd s GLY 6 CO 0.00 2.87 0.40 -1.36 0.00 0.00 0.00 173.10 175.02 1qnd s PHE 7 N 0.74 -0.16 -0.06 1.90 0.40 -1.26 -4.87 117.98 114.67 1qnd s PHE 7 Ca 0.27 -0.17 0.17 0.00 -0.60 0.00 0.00 56.93 56.60 1qnd s PHE 7 Cb -0.03 0.25 0.30 0.00 0.51 0.00 0.00 43.02 44.06 1qnd s PHE 7 CO -0.10 -0.72 1.55 1.57 0.70 0.00 0.00 175.22 178.22 1qnd h LYS 8 N 2.36 0.00 0.00 0.44 -0.00 -2.00 -3.27 116.57 114.11 1qnd h LYS 8 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 1qnd h LYS 8 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1qnd h LYS 8 CO 0.46 0.43 0.15 0.00 -0.00 0.00 0.00 179.45 180.49 1qnd n ALA 9 N -2.24 0.72 -0.26 0.07 0.00 -1.26 -2.18 120.51 115.36 1qnd n ALA 9 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1qnd n ALA 9 Cb 0.65 -0.75 0.19 0.00 0.00 0.00 0.00 19.45 19.54 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 0.29 -0.02 0.00 -0.73 -2.00 -1.14 115.58 111.98 1qnd h ASN 10 Ca 0.00 0.11 -0.21 0.00 1.87 0.00 0.00 56.30 58.07 1qnd h ASN 10 Cb 0.30 0.09 0.01 0.00 0.27 0.00 0.00 38.32 38.98 1qnd h ASN 10 CO 0.00 0.11 -0.76 0.17 -0.37 0.00 0.00 177.43 176.58 1qnd h LEU 11 N 0.45 0.80 0.79 0.34 -0.00 -1.75 -3.17 115.31 112.76 1qnd h LEU 11 Ca 0.42 -0.52 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 1qnd h LEU 11 Cb 0.64 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1qnd h LEU 11 CO -0.41 1.30 -0.46 0.58 -0.00 0.00 0.00 178.44 179.46 1qnd h VAL 12 N 0.46 0.00 0.00 0.15 2.07 -1.51 -2.29 116.25 115.14 1qnd h VAL 12 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qnd h VAL 12 Cb 1.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1qnd h VAL 12 CO 0.15 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.48 1qnd h PHE 13 N -1.16 0.00 0.00 1.57 0.04 -1.37 -1.38 116.94 114.64 1qnd h PHE 13 Ca -0.11 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.52 1qnd h PHE 13 Cb 0.92 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 1qnd h PHE 13 CO -0.07 0.00 -0.67 -0.22 -0.60 0.00 0.00 178.31 176.75 1qnd h LYS 14 N 0.00 0.00 0.00 1.51 3.64 -1.44 -2.13 116.57 118.15 1qnd h LYS 14 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1qnd h LYS 14 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1qnd h LYS 14 CO 0.00 0.67 -0.25 0.93 -2.27 0.00 0.00 179.45 178.53 1qnd h GLU 15 N 0.00 0.00 0.14 1.90 4.39 -0.69 0.32 114.58 120.65 1qnd h GLU 15 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qnd h GLU 15 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1qnd h GLU 15 CO 0.09 0.25 -0.07 0.82 -1.16 0.00 0.00 179.01 178.94 1qnd h ILE 16 N 0.00 1.02 -0.38 3.13 2.04 -1.53 -3.02 117.51 118.77 1qnd h ILE 16 Ca -0.00 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.07 1qnd h ILE 16 Cb 0.45 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.97 1qnd h ILE 16 CO 0.03 0.20 -0.34 -0.08 0.00 0.00 0.00 178.15 177.96 1qnd h GLU 17 N -0.62 -0.26 -0.66 2.37 4.81 -1.10 -1.90 114.58 117.22 1qnd h GLU 17 Ca -0.02 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1qnd h GLU 17 Cb 0.47 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 1qnd h GLU 17 CO 0.03 -0.18 0.28 0.87 -0.73 0.00 0.00 179.01 179.29 1qnd h LYS 18 N -0.27 0.47 -0.29 1.92 1.79 -0.38 0.15 116.57 119.96 1qnd h LYS 18 Ca 0.16 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1qnd h LYS 18 Cb 0.55 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1qnd h LYS 18 CO -0.53 0.31 -0.04 -0.22 -1.08 0.00 0.00 179.45 177.89 1qnd h LYS 19 N 0.49 0.53 -0.71 3.15 3.11 -1.36 -2.64 116.57 119.14 1qnd h LYS 19 Ca 0.33 -0.19 0.10 0.00 -2.81 0.00 0.00 60.65 58.08 1qnd h LYS 19 Cb 0.39 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.54 1qnd h LYS 19 CO -0.30 0.72 0.47 -0.07 -2.81 0.00 0.00 179.45 177.46 1qnd h LEU 20 N 0.30 0.51 0.23 5.20 4.07 -0.23 0.69 115.31 126.08 1qnd h LEU 20 Ca 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1qnd h LEU 20 Cb 0.50 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1qnd h LEU 20 CO 0.02 0.30 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.25 1qnd h GLU 21 N 0.57 -0.30 -0.23 1.13 4.39 -0.62 0.14 114.58 119.66 1qnd h GLU 21 Ca 0.33 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.00 1qnd h GLU 21 Cb 0.52 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1qnd h GLU 21 CO -0.11 -0.04 -0.06 0.93 -1.16 0.00 0.00 179.01 178.57 1qnd h GLU 22 N -0.53 0.45 -0.68 2.33 5.08 -1.05 -3.40 114.58 116.78 1qnd h GLU 22 Ca -0.03 -0.17 -0.33 0.00 -1.00 0.00 0.00 59.36 57.83 1qnd h GLU 22 Cb 0.40 -0.02 -0.23 0.00 0.50 0.00 0.00 28.75 29.39 1qnd h GLU 22 CO 0.05 0.69 -0.70 -1.91 -1.00 0.00 0.00 179.01 176.14 1qnd n GLU 23 N -4.57 0.88 0.20 2.33 2.13 0.18 -4.94 120.64 116.85 1qnd n GLU 23 Ca -0.04 -2.33 0.09 0.00 0.66 0.00 0.00 57.16 55.54 1qnd n GLU 23 Cb 0.30 -1.32 0.23 0.00 0.27 0.00 0.00 31.44 30.92 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qnd h GLY 24 N 3.49 0.00 0.30 8.31 0.00 -0.68 -3.37 103.07 111.13 1qnd h GLY 24 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.45 1qnd h GLY 24 CO 0.31 0.00 0.61 1.05 0.00 0.00 0.00 176.54 178.51 1qnd h GLU 25 N 0.00 0.67 0.01 4.80 4.11 -1.78 0.16 114.58 122.56 1qnd h GLU 25 Ca -0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 1qnd h GLU 25 Cb 1.03 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.14 1qnd h GLU 25 CO 0.03 0.44 -0.76 0.37 0.07 0.00 0.00 179.01 179.16 1qnd h GLN 26 N 0.69 0.49 0.00 1.06 -0.00 -1.89 -3.28 115.11 112.18 1qnd h GLN 26 Ca 0.51 -0.55 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1qnd h GLN 26 Cb 0.88 0.16 -0.00 0.00 0.00 0.00 0.00 27.48 28.52 1qnd h GLN 26 CO -0.28 1.18 -0.04 0.74 0.00 0.00 0.00 178.83 180.44 1qnd h PHE 27 N 0.03 0.00 -0.93 3.99 0.04 -0.98 -1.21 116.94 117.88 1qnd h PHE 27 Ca -0.10 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.74 1qnd h PHE 27 Cb 1.46 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.55 1qnd h PHE 27 CO 0.14 0.04 0.60 0.28 -0.60 0.00 0.00 178.31 178.77 1qnd h VAL 28 N 0.00 1.06 0.00 -0.55 2.07 -0.90 -1.09 116.25 116.84 1qnd h VAL 28 Ca -0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1qnd h VAL 28 Cb 0.53 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1qnd h VAL 28 CO 0.01 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.08 1qnd n LYS 29 N -4.50 0.37 -0.00 1.57 5.02 -0.46 -1.17 118.16 118.99 1qnd n LYS 29 Ca 0.14 0.06 -0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1qnd n LYS 29 Cb 0.20 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1qnd n LYS 29 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1qnd h LYS 30 N 0.00 0.00 0.09 1.97 1.57 -1.26 -3.44 116.57 115.51 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1qnd h LYS 30 CO 0.00 0.00 -0.04 0.82 -0.57 0.00 0.00 179.45 179.66 1qnd h ILE 31 N -0.07 0.00 -4.72 1.86 5.03 -1.64 -3.43 117.51 114.53 1qnd h ILE 31 Ca 0.00 -0.62 -0.19 0.00 -0.12 0.00 0.00 64.86 63.94 1qnd h ILE 31 Cb 0.02 0.00 0.14 0.00 -3.03 0.00 0.00 36.82 33.95 1qnd h ILE 31 CO 0.00 0.00 -0.60 0.61 -0.68 0.00 0.00 178.15 177.48 1qnd n GLY 32 N 1.44 -0.50 0.00 5.37 0.00 -0.32 -4.62 105.19 106.56 1qnd n GLY 32 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.27 1.57 3.21 -0.02 0.00 -1.22 -4.86 105.19 102.61 1qnd n GLY 33 Ca -0.08 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.70 2.26 0.43 -0.61 1.09 -1.26 -0.36 121.20 120.05 1qnd s ILE 34 Ca 0.00 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.68 1qnd s ILE 34 Cb 0.00 -1.92 -0.06 0.00 -1.06 0.00 0.00 42.46 39.43 1qnd s ILE 34 CO 0.00 0.54 0.02 0.72 -0.10 0.00 0.00 174.94 176.12 1qnd s PHE 35 N 0.74 2.24 -0.06 3.97 -0.71 -0.73 -1.01 117.98 122.43 1qnd s PHE 35 Ca -0.08 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 55.03 1qnd s PHE 35 Cb -0.16 -1.65 0.01 0.00 -1.21 0.00 0.00 43.02 40.01 1qnd s PHE 35 CO 0.00 0.30 -0.13 0.00 -1.34 0.00 0.00 175.22 174.05 1qnd s ALA 36 N -2.85 1.33 -0.89 1.99 0.00 -0.82 -1.29 121.76 119.23 1qnd s ALA 36 Ca 0.27 -0.48 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1qnd s ALA 36 Cb 0.07 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1qnd s ALA 36 CO 0.13 0.15 1.31 -0.06 0.00 0.00 0.00 175.76 177.30 1qnd s PHE 37 N 0.50 2.55 -0.64 0.00 0.08 -0.94 -1.40 117.98 118.13 1qnd s PHE 37 Ca -0.12 -0.66 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 1qnd s PHE 37 Cb -0.15 -4.58 0.00 0.00 -0.57 0.00 0.00 43.02 37.72 1qnd s PHE 37 CO 0.04 -1.89 1.56 0.15 -0.10 0.00 0.00 175.22 174.98 1qnd s LYS 38 N 4.81 2.97 -0.25 0.44 1.02 -1.19 -3.77 119.74 123.77 1qnd s LYS 38 Ca 0.39 0.28 -0.08 0.00 0.02 0.00 0.00 55.97 56.58 1qnd s LYS 38 Cb -0.05 -4.26 -0.04 0.00 -0.52 0.00 0.00 37.83 32.97 1qnd s LYS 38 CO -0.01 -2.36 0.10 0.08 -0.92 0.00 0.00 175.35 172.25 1qnd s VAL 39 N 7.25 4.63 0.54 3.17 1.01 -0.68 -3.80 120.40 132.53 1qnd s VAL 39 Ca 0.53 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1qnd s VAL 39 Cb -0.11 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1qnd s VAL 39 CO 0.20 0.33 0.17 -1.59 0.00 0.00 0.00 175.10 174.21 1qnd s LYS 40 N 1.48 2.23 -1.22 2.72 -2.85 -1.26 -0.82 119.74 120.03 1qnd s LYS 40 Ca 0.06 -2.29 -0.05 0.00 -1.00 0.00 0.00 55.97 52.69 1qnd s LYS 40 Cb -0.15 -1.75 -0.01 0.00 -2.06 0.00 0.00 37.83 33.85 1qnd s LYS 40 CO 0.05 -0.52 0.78 -3.47 0.10 0.00 0.00 175.35 172.29 1qnd n ASP 41 N -1.52 -3.07 0.00 0.03 2.03 -1.06 -0.31 116.55 112.65 1qnd n ASP 41 Ca -0.13 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1qnd n ASP 41 Cb 0.66 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 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 -1.50 5.40 3.55 0.27 0.00 -1.26 -2.90 105.19 108.76 1qnd n GLY 42 Ca -0.22 -1.93 -0.55 0.00 0.00 0.00 0.00 46.02 43.33 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 0.00 1.06 -0.17 1.61 -0.01 -1.26 -0.46 135.00 135.77 1qnd n PRO 43 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 63.50 63.84 1qnd n PRO 43 Cb 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 33.50 31.27 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1qnd n GLY 44 N 5.52 1.95 1.37 -1.23 0.00 -1.26 -3.94 105.19 107.60 1qnd n GLY 44 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.00 0.60 1.68 -0.02 0.00 0.39 -5.05 105.19 100.79 1qnd n GLY 45 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.69 -3.29 -3.42 1.61 4.01 -1.25 -4.24 118.16 108.89 1qnd n LYS 46 Ca 0.00 -0.78 -0.10 0.00 -0.51 0.00 0.00 58.31 56.91 1qnd n LYS 46 Cb 0.00 -0.97 -0.09 0.00 -0.51 0.00 0.00 35.03 33.46 1qnd n LYS 46 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1qnd s GLU 47 N -4.12 0.32 0.48 1.97 2.12 -1.24 -2.56 118.70 115.66 1qnd s GLU 47 Ca 0.35 0.56 0.05 0.00 0.36 0.00 0.00 54.97 56.30 1qnd s GLU 47 Cb -0.06 -0.45 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 1qnd s GLU 47 CO 0.29 -0.58 0.18 0.00 -0.54 0.00 0.00 175.26 174.61 1qnd s ALA 48 N 2.52 3.93 -0.01 6.30 0.00 -0.00 -4.00 121.76 130.50 1qnd s ALA 48 Ca 0.10 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1qnd s ALA 48 Cb -0.15 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1qnd s ALA 48 CO -0.15 -0.20 0.25 0.99 0.00 0.00 0.00 175.76 176.65 1qnd s THR 49 N -2.73 0.06 -0.22 0.00 2.01 -1.26 -1.69 115.64 111.81 1qnd s THR 49 Ca 0.29 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1qnd s THR 49 Cb 0.02 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1qnd s THR 49 CO 0.16 -0.29 -0.11 0.26 -0.69 0.00 0.00 174.62 173.96 1qnd s TRP 50 N -1.27 2.97 0.02 4.92 0.51 -1.25 -4.23 118.94 120.62 1qnd s TRP 50 Ca -0.13 -1.56 -0.30 0.00 -2.12 0.00 0.00 56.10 51.99 1qnd s TRP 50 Cb -0.06 -2.01 -0.05 0.00 -0.81 0.00 0.00 33.47 30.54 1qnd s TRP 50 CO 0.03 -0.74 1.19 0.08 -0.51 0.00 0.00 176.95 177.00 1qnd s VAL 51 N 1.32 4.14 -0.31 4.03 1.01 -1.17 -2.22 120.40 127.20 1qnd s VAL 51 Ca 0.02 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 1qnd s VAL 51 Cb -0.15 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1qnd s VAL 51 CO -0.07 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 174.47 1qnd s VAL 52 N 1.40 3.39 -0.02 2.92 1.01 -0.41 -0.73 120.40 127.97 1qnd s VAL 52 Ca 0.58 -1.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1qnd s VAL 52 Cb -0.28 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1qnd s VAL 52 CO 0.27 -0.10 0.91 -0.62 0.00 0.00 0.00 175.10 175.57 1qnd s ASP 53 N 1.34 7.27 -0.08 3.32 -1.08 -0.62 -1.77 116.67 125.06 1qnd s ASP 53 Ca -0.03 1.54 0.21 0.00 -0.52 0.00 0.00 52.55 53.75 1qnd s ASP 53 Cb -0.19 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.17 1qnd s ASP 53 CO 0.01 -0.23 1.19 0.52 0.52 0.00 0.00 175.17 177.17 1qnd n VAL 54 N 3.89 0.78 0.00 1.11 0.31 0.52 -1.11 118.33 123.83 1qnd n VAL 54 Ca 0.04 -1.81 0.00 0.00 -0.01 0.00 0.00 64.34 62.57 1qnd n VAL 54 Cb 0.51 0.57 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 1qnd n VAL 54 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1qnd n LYS 55 N -0.07 2.45 -2.82 5.55 0.00 -1.15 -3.09 118.16 119.03 1qnd n LYS 55 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.99 1qnd n LYS 55 Cb 0.99 -0.50 -0.04 0.00 0.00 0.00 0.00 35.03 35.48 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 -0.59 6.56 1.52 3.14 0.01 -1.26 -4.67 114.94 119.65 1qnd s ASN 56 Ca 0.00 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.44 1qnd s ASN 56 Cb 0.00 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1qnd s ASN 56 CO 0.00 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.22 1qnd n GLY 57 N 4.73 2.96 0.29 0.66 0.00 -1.26 -0.65 105.19 111.92 1qnd n GLY 57 Ca 0.06 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1qnd n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 58 N 10.24 1.40 -0.52 1.61 5.02 -1.26 -4.83 118.16 129.82 1qnd n LYS 58 Ca 0.00 -0.59 0.04 0.00 -2.02 0.00 0.00 58.31 55.75 1qnd n LYS 58 Cb 0.00 -1.48 -0.02 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 1.10 -3.01 3.60 0.72 0.00 0.17 -3.34 105.19 104.42 1qnd n GLY 59 Ca 0.21 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.71 -0.26 0.21 1.61 0.01 -0.26 -4.69 113.70 105.62 1qnd s SER 60 Ca 0.00 0.29 -0.18 0.00 1.31 0.00 0.00 55.95 57.37 1qnd s SER 60 Cb 0.00 0.22 -0.08 0.00 0.21 0.00 0.00 66.02 66.37 1qnd s SER 60 CO 0.00 -0.23 0.69 -0.69 0.41 0.00 0.00 173.24 173.42 1qnd s VAL 61 N -1.02 4.64 -0.58 3.43 1.01 -1.26 -1.58 120.40 125.04 1qnd s VAL 61 Ca 0.02 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1qnd s VAL 61 Cb -0.01 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1qnd s VAL 61 CO -0.02 0.18 0.41 -0.76 0.00 0.00 0.00 175.10 174.91 1qnd s LEU 62 N -2.07 3.52 0.44 3.92 1.43 0.10 -4.93 118.68 121.08 1qnd s LEU 62 Ca 0.43 -3.45 -0.24 0.00 -1.03 0.00 0.00 54.13 49.84 1qnd s LEU 62 Cb -0.16 -1.20 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 1qnd s LEU 62 CO 0.20 -0.14 1.22 -2.16 0.23 0.00 0.00 176.35 175.70 1qnd s PRO 63 N -0.75 3.82 -1.53 1.29 0.04 -1.26 -3.01 135.00 133.60 1qnd s PRO 63 Ca 0.26 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1qnd s PRO 63 Cb -0.05 -2.54 0.12 0.00 0.04 0.00 0.00 34.50 32.07 1qnd s PRO 63 CO -0.15 -0.54 0.31 0.09 0.04 0.00 0.00 177.00 176.75 1qnd n ASN 64 N -0.26 -0.61 -4.80 6.66 3.02 -1.26 -4.90 115.26 113.10 1qnd n ASN 64 Ca 0.06 -1.10 -0.37 0.00 -0.03 0.00 0.00 54.58 53.13 1qnd n ASN 64 Cb 0.46 -1.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qnd s SER 65 N -3.47 7.14 0.38 6.41 0.15 -1.16 -4.97 113.70 118.18 1qnd s SER 65 Ca 0.44 1.45 0.26 0.00 0.70 0.00 0.00 55.95 58.80 1qnd s SER 65 Cb -0.25 -2.43 0.79 0.00 -1.71 0.00 0.00 66.02 62.42 1qnd s SER 65 CO 0.89 0.11 1.75 -0.78 1.20 0.00 0.00 173.24 176.42 1qnd h ASP 66 N 3.80 0.00 -2.79 5.45 3.58 -1.91 -3.46 116.42 121.10 1qnd h ASP 66 Ca -0.48 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.42 1qnd h ASP 66 Cb 1.20 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.32 1qnd h ASP 66 CO 0.65 0.00 0.81 1.17 -2.88 0.00 0.00 179.24 179.00 1qnd n LYS 67 N -2.76 2.42 -0.17 0.28 4.81 -1.26 -4.98 118.16 116.49 1qnd n LYS 67 Ca 0.03 0.87 -0.18 0.00 -0.87 0.00 0.00 58.31 58.16 1qnd n LYS 67 Cb 0.41 -2.62 0.17 0.00 0.02 0.00 0.00 35.03 33.01 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 2.71 -3.57 -4.19 1.64 2.85 -1.26 -4.95 118.16 111.38 1qnd n LYS 68 Ca 0.12 -0.87 -0.15 0.00 -1.05 0.00 0.00 58.31 56.37 1qnd n LYS 68 Cb 0.33 -1.09 -0.11 0.00 -0.65 0.00 0.00 35.03 33.51 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 -2.16 1.18 0.26 0.58 0.00 -1.26 -4.95 121.76 115.42 1qnd s ALA 69 Ca 0.39 -1.22 0.16 0.00 0.00 0.00 0.00 51.96 51.30 1qnd s ALA 69 Cb -0.07 0.02 0.69 0.00 0.00 0.00 0.00 23.12 23.76 1qnd s ALA 69 CO 0.33 -0.02 1.76 0.38 0.00 0.00 0.00 175.76 178.21 1qnd h ASP 70 N 3.51 0.00 -3.30 0.00 3.04 -1.42 -3.47 116.42 114.78 1qnd h ASP 70 Ca -0.38 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.20 1qnd h ASP 70 Cb 1.19 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.43 1qnd h ASP 70 CO 0.53 0.40 -0.16 0.00 -2.04 0.00 0.00 179.24 177.98 1qnd n THR 72 N -0.37 0.00 -4.20 0.00 -1.04 -1.26 -1.94 114.28 105.48 1qnd n THR 72 Ca 0.02 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.38 1qnd n THR 72 Cb 0.36 0.22 -0.08 0.00 -1.82 0.00 0.00 70.33 69.02 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 -2.10 0.00 -0.03 12.58 2.07 -0.49 -4.00 121.20 129.22 1qnd s ILE 73 Ca 0.07 -1.89 -0.02 0.00 -1.41 0.00 0.00 60.65 57.40 1qnd s ILE 73 Cb 0.00 -2.51 0.01 0.00 0.13 0.00 0.00 42.46 40.10 1qnd s ILE 73 CO 0.05 0.00 0.07 -0.89 -1.91 0.00 0.00 174.94 172.26 1qnd s THR 74 N -3.63 -0.01 0.00 4.00 2.01 -1.26 -3.19 115.64 113.55 1qnd s THR 74 Ca 0.37 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1qnd s THR 74 Cb 0.03 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.43 1qnd s THR 74 CO 0.20 0.02 0.00 1.15 -0.69 0.00 0.00 174.62 175.30 1qnd n MET 75 N 3.34 0.40 0.00 4.92 0.00 -1.25 -4.22 117.12 120.32 1qnd n MET 75 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1qnd n MET 75 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.51 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qnd n ALA 76 N -0.44 -0.10 -0.04 3.17 0.00 -1.26 -4.77 120.51 117.07 1qnd n ALA 76 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qnd n ALA 76 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 0.23 0.37 0.00 3.58 -0.75 0.13 116.42 119.98 1qnd h ASP 77 Ca 0.00 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1qnd h ASP 77 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1qnd h ASP 77 CO 0.00 0.22 0.00 -1.20 -2.88 0.00 0.00 179.24 175.38 1qnd n SER 78 N -4.92 0.20 -0.09 2.28 7.64 -1.14 -0.72 113.62 116.87 1qnd n SER 78 Ca -0.04 0.56 -0.13 0.00 1.01 0.00 0.00 58.87 60.28 1qnd n SER 78 Cb 0.05 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qnd n ASP 79 N -1.73 2.55 -0.15 6.43 2.03 -1.11 -4.29 116.55 120.28 1qnd n ASP 79 Ca 0.02 -0.09 -0.06 0.00 0.52 0.00 0.00 54.79 55.17 1qnd n ASP 79 Cb 0.13 -0.30 -0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.02 -0.87 -0.27 -0.67 0.04 -0.44 -0.86 116.94 113.85 1qnd h PHE 80 Ca -0.41 0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.46 1qnd h PHE 80 Cb 1.63 0.45 -0.06 0.00 2.20 0.00 0.00 35.95 40.17 1qnd h PHE 80 CO 0.02 -0.37 -0.43 1.25 -0.60 0.00 0.00 178.31 178.17 1qnd h LEU 81 N -0.20 -1.43 -1.01 1.54 5.85 -1.18 -2.62 115.31 116.26 1qnd h LEU 81 Ca 0.20 0.18 0.06 0.00 0.84 0.00 0.00 57.88 59.16 1qnd h LEU 81 Cb 0.54 0.58 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1qnd h LEU 81 CO -0.59 -0.33 0.65 0.00 -0.34 0.00 0.00 178.44 177.83 1qnd h ALA 82 N -0.38 1.39 0.15 1.25 0.00 -1.56 -0.02 119.26 120.09 1qnd h ALA 82 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qnd h ALA 82 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qnd h ALA 82 CO -0.43 0.47 -0.22 -0.07 0.00 0.00 0.00 179.25 178.99 1qnd h LEU 83 N 1.20 -0.63 -0.39 0.00 -0.00 -0.81 -1.86 115.31 112.81 1qnd h LEU 83 Ca 0.43 0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 58.25 1qnd h LEU 83 Cb 0.14 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1qnd h LEU 83 CO -0.16 -0.27 -0.55 0.00 -0.00 0.00 0.00 178.44 177.46 1qnd h MET 84 N -0.39 0.00 0.00 1.13 -0.00 -1.37 -3.29 114.93 111.01 1qnd h MET 84 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1qnd h MET 84 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1qnd h MET 84 CO -0.07 0.55 0.00 2.41 -0.00 0.00 0.00 176.91 179.80 1qnd n THR 85 N -3.40 0.22 -1.28 -0.10 -1.04 -0.03 -4.21 114.28 104.44 1qnd n THR 85 Ca 0.01 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1qnd n THR 85 Cb 0.68 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.47 0.62 0.00 3.41 0.00 -1.23 -4.74 105.19 103.72 1qnd n GLY 86 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1qnd n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qnd n LYS 87 N -1.16 0.00 -3.72 1.61 4.81 -0.73 -4.96 118.16 114.01 1qnd n LYS 87 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1qnd n LYS 87 Cb 0.43 -0.02 -0.08 0.00 0.02 0.00 0.00 35.03 35.37 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1qnd s MET 88 N 0.00 0.73 0.70 1.64 -1.94 -1.05 -4.90 119.30 114.49 1qnd s MET 88 Ca 0.00 -0.11 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 1qnd s MET 88 Cb 0.00 0.33 0.01 0.00 2.01 0.00 0.00 34.83 37.18 1qnd s MET 88 CO 0.00 -0.21 1.06 1.21 -0.01 0.00 0.00 175.02 177.08 1qnd s ASN 89 N -1.30 5.32 0.82 3.03 2.47 -1.26 -4.70 114.94 119.33 1qnd s ASN 89 Ca -0.13 1.54 -0.12 0.00 0.42 0.00 0.00 52.86 54.57 1qnd s ASN 89 Cb -0.04 -2.40 0.08 0.00 -1.45 0.00 0.00 41.25 37.44 1qnd s ASN 89 CO 0.05 -1.47 1.10 -2.16 -3.72 0.00 0.00 177.10 170.90 1qnd s PRO 90 N -5.08 1.88 -0.14 0.43 0.04 -1.26 -4.50 135.00 126.36 1qnd s PRO 90 Ca 0.58 0.61 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 1qnd s PRO 90 Cb -0.14 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1qnd s PRO 90 CO 0.55 -1.76 0.14 0.94 0.04 0.00 0.00 177.00 176.91 1qnd n GLN 91 N -3.52 -3.33 0.23 4.56 7.27 -1.26 -4.97 117.38 116.36 1qnd n GLN 91 Ca 0.07 2.63 -0.15 0.00 0.07 0.00 0.00 57.00 59.62 1qnd n GLN 91 Cb 0.57 -3.76 -0.08 0.00 2.41 0.00 0.00 30.24 29.37 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 4.19 -1.19 0.39 1.69 0.87 -1.97 -3.38 113.55 114.15 1qnd h SER 92 Ca -0.31 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1qnd h SER 92 Cb 0.77 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1qnd h SER 92 CO 0.02 -0.55 -0.34 0.00 -0.53 0.00 0.00 176.83 175.43 1qnd h ALA 93 N -1.01 -1.06 0.00 6.23 0.00 -1.93 -3.35 119.26 118.14 1qnd h ALA 93 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qnd h ALA 93 Cb 0.73 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qnd h ALA 93 CO -0.07 -1.07 0.00 0.34 0.00 0.00 0.00 179.25 178.45 1qnd n PHE 94 N -4.46 0.00 0.18 0.00 7.35 -1.26 -0.08 117.46 119.18 1qnd n PHE 94 Ca -0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.53 1qnd n PHE 94 Cb 0.32 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.11 1qnd n PHE 94 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1qnd h PHE 95 N 0.00 -0.47 0.00 -5.13 -1.00 -1.85 -3.33 116.94 105.15 1qnd h PHE 95 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1qnd h PHE 95 Cb 0.00 0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1qnd h PHE 95 CO 0.00 -0.29 0.00 0.00 -1.61 0.00 0.00 178.31 176.41 1qnd n GLN 96 N -4.52 0.03 -2.24 1.51 10.64 -0.17 -4.86 117.38 117.77 1qnd n GLN 96 Ca -0.06 0.42 -0.20 0.00 -1.83 0.00 0.00 57.00 55.34 1qnd n GLN 96 Cb 0.20 -1.58 -0.02 0.00 -0.86 0.00 0.00 30.24 27.97 1qnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qnd n GLY 97 N -0.84 -0.04 0.37 2.61 0.00 0.88 -4.83 105.19 103.35 1qnd n GLY 97 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1qnd n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 98 N -2.85 0.30 -3.75 1.61 4.76 -1.26 -4.78 118.16 112.19 1qnd n LYS 98 Ca -0.23 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.89 1qnd n LYS 98 Cb 0.67 -1.11 0.03 0.00 -1.84 0.00 0.00 35.03 32.78 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 0.14 -2.34 -4.77 -0.35 7.94 -1.26 -4.81 117.00 111.55 1qnd n LEU 99 Ca 0.00 -1.02 -0.39 0.00 -1.11 0.00 0.00 56.01 53.48 1qnd n LEU 99 Cb 0.06 -2.17 -0.01 0.00 0.53 0.00 0.00 43.42 41.83 1qnd n LEU 99 CO 0.00 0.45 0.95 -1.59 -1.11 0.00 0.00 177.39 176.09 1qnd s LYS 100 N -6.02 4.03 0.69 1.96 0.00 -1.26 -4.54 119.74 114.60 1qnd s LYS 100 Ca 0.40 2.13 -0.11 0.00 0.00 0.00 0.00 55.97 58.38 1qnd s LYS 100 Cb -0.16 -2.79 0.01 0.00 0.00 0.00 0.00 37.83 34.89 1qnd s LYS 100 CO 0.89 -0.43 1.07 0.42 0.00 0.00 0.00 175.35 177.30 1qnd s ILE 101 N -1.26 3.49 0.08 3.79 1.09 -1.26 -4.81 121.20 122.32 1qnd s ILE 101 Ca 0.56 0.42 -0.30 0.00 -1.10 0.00 0.00 60.65 60.22 1qnd s ILE 101 Cb -0.37 -3.47 -0.06 0.00 -1.06 0.00 0.00 42.46 37.50 1qnd s ILE 101 CO 0.48 -0.60 1.16 0.42 -0.10 0.00 0.00 174.94 176.30 1qnd s THR 102 N -3.32 4.06 -0.54 2.92 -4.23 -1.26 -4.57 115.64 108.70 1qnd s THR 102 Ca 0.58 1.53 0.06 0.00 -1.18 0.00 0.00 61.69 62.69 1qnd s THR 102 Cb -0.11 -3.98 0.33 0.00 1.34 0.00 0.00 72.50 70.08 1qnd s THR 102 CO 0.51 0.15 0.89 0.61 -0.54 0.00 0.00 174.62 176.24 1qnd n GLY 103 N 2.93 5.16 7.00 3.99 0.00 -1.26 -3.99 105.19 119.02 1qnd n GLY 103 Ca 0.07 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.52 1qnd n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qnd n ASN 104 N -0.05 -0.21 -3.99 1.61 4.13 -1.26 -4.69 115.26 110.80 1qnd n ASN 104 Ca 0.30 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.45 1qnd n ASN 104 Cb 0.44 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.56 1qnd n ASN 104 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1qnd s MET 105 N 0.00 0.36 0.00 3.52 1.75 -1.26 -4.80 119.30 118.87 1qnd s MET 105 Ca 0.00 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1qnd s MET 105 Cb 0.00 -0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.60 1qnd s MET 105 CO 0.00 0.00 0.00 0.41 -0.65 0.00 0.00 175.02 174.78 1qnd n GLY 106 N 1.82 0.18 0.34 2.11 0.00 -1.26 -4.74 105.19 103.63 1qnd n GLY 106 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 0.71 0.00 0.99 8.10 -1.83 -3.36 115.31 119.91 1qnd h LEU 107 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1qnd h LEU 107 Cb 0.60 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1qnd h LEU 107 CO 0.00 0.50 0.00 0.00 -4.11 0.00 0.00 178.44 174.83 1qnd n ALA 108 N -2.44 0.00 0.00 0.17 0.00 -1.26 -4.65 120.51 112.32 1qnd n ALA 108 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1qnd n ALA 108 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1qnd n ALA 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qnd n MET 109 N -0.08 0.00 -0.14 0.00 2.81 -1.26 -2.04 117.12 116.41 1qnd n MET 109 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1qnd n MET 109 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1qnd n MET 109 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1qnd n LYS 110 N 0.00 0.81 -2.25 0.03 0.00 -1.26 -4.80 118.16 110.69 1qnd n LYS 110 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.91 1qnd n LYS 110 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 1qnd n LYS 110 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1qnd s LEU 111 N 0.00 3.31 -0.00 3.14 0.05 -0.86 -4.74 118.68 119.57 1qnd s LEU 111 Ca 0.00 0.23 -0.03 0.00 0.05 0.00 0.00 54.13 54.38 1qnd s LEU 111 Cb 0.00 -2.77 -0.02 0.00 -2.05 0.00 0.00 46.19 41.35 1qnd s LEU 111 CO 0.00 -2.01 -0.07 0.00 -0.55 0.00 0.00 176.35 173.71 1qnd n GLN 112 N 9.00 0.12 -0.02 1.48 3.00 -1.26 -4.82 117.38 124.88 1qnd n GLN 112 Ca 0.15 0.05 0.03 0.00 -0.01 0.00 0.00 57.00 57.22 1qnd n GLN 112 Cb 0.50 -0.70 -0.14 0.00 0.00 0.00 0.00 30.24 29.90 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 -3.51 0.21 0.00 1.08 3.02 -1.26 -4.60 115.26 110.20 1qnd n ASN 113 Ca -0.07 0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 1qnd n ASN 113 Cb 0.32 1.29 0.33 0.00 -0.61 0.00 0.00 39.78 41.10 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1qnd n LEU 114 N -2.54 0.00 -2.92 3.41 7.94 -1.26 -1.17 117.00 120.46 1qnd n LEU 114 Ca -0.13 0.28 -0.16 0.00 -1.11 0.00 0.00 56.01 54.89 1qnd n LEU 114 Cb 0.78 -0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 1qnd n LEU 114 CO 0.44 -0.16 -0.13 0.00 -1.11 0.00 0.00 177.39 176.43 1qnd n GLN 115 N -1.28 1.41 -0.33 1.96 6.02 -1.26 -4.82 117.38 119.08 1qnd n GLN 115 Ca 0.06 -3.54 0.04 0.00 -0.01 0.00 0.00 57.00 53.55 1qnd n GLN 115 Cb 0.10 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 1qnd n GLN 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qnd n LEU 116 N 0.05 0.00 -3.73 1.08 4.77 -0.32 -4.40 117.00 114.46 1qnd n LEU 116 Ca 0.21 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1qnd n LEU 116 Cb 0.70 -1.07 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 1qnd n LEU 116 CO 0.25 -1.14 -0.14 -1.58 -1.33 0.00 0.00 177.39 173.45 1qnd s GLN 117 N -0.68 0.18 1.12 3.23 0.74 -1.26 -4.41 119.66 118.59 1qnd s GLN 117 Ca 0.00 0.52 -0.16 0.00 0.05 0.00 0.00 55.36 55.77 1qnd s GLN 117 Cb 0.00 -0.13 0.25 0.00 1.10 0.00 0.00 33.01 34.23 1qnd s GLN 117 CO 0.00 -0.17 1.09 -1.25 -0.55 0.00 0.00 175.29 174.41 1qnd s PRO 118 N 1.34 -0.57 0.00 1.67 0.04 -1.26 -4.93 135.00 131.30 1qnd s PRO 118 Ca -0.08 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1qnd s PRO 118 Cb -0.11 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1qnd s PRO 118 CO -0.08 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.03 1qnd n GLY 119 N -0.87 0.12 3.34 0.56 0.00 -1.26 -5.13 105.19 101.95 1qnd n GLY 119 Ca 0.09 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 0.07 0.00 1.61 3.84 -1.26 -5.09 114.94 114.10 1qnd s ASN 120 Ca 0.00 -1.07 0.00 0.00 0.21 0.00 0.00 52.86 52.00 1qnd s ASN 120 Cb 0.00 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 1qnd s ASN 120 CO 0.00 -0.92 0.38 0.00 -2.79 0.00 0.00 177.10 173.77 1qnd n ALA 121 N -0.26 1.52 -2.73 1.71 0.00 -1.26 -5.14 120.51 114.34 1qnd n ALA 121 Ca -0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1qnd n ALA 121 Cb 0.64 -0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1qnd n ALA 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qnd s LYS 122 N 0.00 0.66 0.00 0.00 1.02 -1.26 -5.39 119.74 114.77 1qnd s LYS 122 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1qnd s LYS 122 Cb 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 1qnd s LYS 122 CO 0.00 0.08 0.00 -0.11 -0.92 0.00 0.00 175.35 174.40