#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 -0.35 -4.67 4.04 7.64 -1.26 -4.91 113.62 114.12 1qnd n SER 2 Ca 0.00 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 1qnd n SER 2 Cb 0.00 -1.34 0.16 0.00 -1.01 0.00 0.00 64.21 62.02 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qnd s ALA 3 N -2.06 1.23 0.00 -0.43 0.00 -1.26 -4.33 121.76 114.92 1qnd s ALA 3 Ca 0.68 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1qnd s ALA 3 Cb -0.30 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1qnd s ALA 3 CO 0.56 -2.69 0.00 -1.13 0.00 0.00 0.00 175.76 172.50 1qnd n SER 4 N -4.15 0.00 -1.67 0.00 3.41 0.16 -4.93 113.62 106.45 1qnd n SER 4 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1qnd n SER 4 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qnd n ASP 5 N -0.35 -3.83 -0.76 4.04 8.00 -1.25 -4.78 116.55 117.62 1qnd n ASP 5 Ca 0.00 0.30 0.07 0.00 0.71 0.00 0.00 54.79 55.87 1qnd n ASP 5 Cb 0.00 -3.47 0.21 0.00 -0.02 0.00 0.00 41.12 37.85 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 -0.41 3.61 3.94 0.44 0.00 -1.26 -4.74 105.19 106.77 1qnd n GLY 6 Ca -0.15 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.17 2.35 -1.44 1.61 0.08 -1.26 -4.97 117.98 112.18 1qnd s PHE 7 Ca 0.34 0.28 0.22 0.00 0.12 0.00 0.00 56.93 57.90 1qnd s PHE 7 Cb 0.26 -3.38 1.14 0.00 -0.57 0.00 0.00 43.02 40.46 1qnd s PHE 7 CO 0.11 -1.77 1.73 1.63 -0.10 0.00 0.00 175.22 176.81 1qnd n LYS 8 N -3.12 0.33 0.31 0.44 5.02 -1.26 -2.46 118.16 117.42 1qnd n LYS 8 Ca 0.11 0.07 0.18 0.00 -2.02 0.00 0.00 58.31 56.66 1qnd n LYS 8 Cb 0.60 -1.50 1.03 0.00 -0.02 0.00 0.00 35.03 35.14 1qnd n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qnd h ALA 9 N 3.07 1.34 0.09 7.82 0.00 -1.95 -3.28 119.26 126.34 1qnd h ALA 9 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qnd h ALA 9 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1qnd h ALA 9 CO 0.00 -0.04 -0.16 -0.97 0.00 0.00 0.00 179.25 178.07 1qnd h ASN 10 N 0.00 -0.46 0.22 0.00 -0.73 -1.77 -0.25 115.58 112.59 1qnd h ASN 10 Ca 0.01 0.06 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 1qnd h ASN 10 Cb 0.08 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 1qnd h ASN 10 CO -0.00 -0.24 -0.40 0.17 -0.37 0.00 0.00 177.43 176.59 1qnd h LEU 11 N -0.32 0.25 0.41 0.34 -0.00 -1.83 -2.85 115.31 111.31 1qnd h LEU 11 Ca 0.03 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 1qnd h LEU 11 Cb 0.34 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1qnd h LEU 11 CO -0.10 0.63 -0.20 0.58 -0.00 0.00 0.00 178.44 179.36 1qnd h VAL 12 N 0.21 0.59 0.00 0.15 2.07 -1.48 -1.46 116.25 116.34 1qnd h VAL 12 Ca 0.02 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qnd h VAL 12 Cb 0.80 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1qnd h VAL 12 CO 0.06 0.04 -0.16 -0.26 0.02 0.00 0.00 177.57 177.27 1qnd h PHE 13 N -0.67 0.00 -0.01 1.57 0.04 -1.08 -2.25 116.94 114.54 1qnd h PHE 13 Ca -0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 1qnd h PHE 13 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1qnd h PHE 13 CO -0.02 0.16 -0.61 -0.22 -0.60 0.00 0.00 178.31 177.02 1qnd h LYS 14 N 0.00 0.04 -0.21 1.51 3.64 -1.23 -1.75 116.57 118.57 1qnd h LYS 14 Ca -0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1qnd h LYS 14 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1qnd h LYS 14 CO 0.02 0.64 0.14 0.93 -2.27 0.00 0.00 179.45 178.91 1qnd h GLU 15 N 0.03 0.25 -0.02 1.90 4.39 -0.64 0.28 114.58 120.77 1qnd h GLU 15 Ca -0.01 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1qnd h GLU 15 Cb 1.08 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1qnd h GLU 15 CO 0.08 0.17 -0.33 0.82 -1.16 0.00 0.00 179.01 178.59 1qnd h ILE 16 N 0.26 1.49 -0.44 3.13 2.04 -1.49 -3.27 117.51 119.22 1qnd h ILE 16 Ca 0.08 -1.89 0.09 0.00 1.00 0.00 0.00 64.86 64.14 1qnd h ILE 16 Cb 0.01 2.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.60 1qnd h ILE 16 CO -0.02 0.53 -0.12 -0.08 0.00 0.00 0.00 178.15 178.46 1qnd h GLU 17 N -0.34 -0.02 -0.89 2.37 4.81 -0.79 -2.79 114.58 116.94 1qnd h GLU 17 Ca -0.04 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1qnd h GLU 17 Cb 1.04 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 1qnd h GLU 17 CO 0.07 -0.01 0.58 -0.22 -0.73 0.00 0.00 179.01 178.70 1qnd h LYS 18 N -0.02 1.05 -0.14 1.92 3.11 -0.52 0.19 116.57 122.15 1qnd h LYS 18 Ca 0.21 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.97 1qnd h LYS 18 Cb 0.34 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1qnd h LYS 18 CO -0.47 0.69 0.03 -0.22 -2.81 0.00 0.00 179.45 176.67 1qnd h LYS 19 N 1.08 0.24 -0.73 1.90 1.63 -1.63 -2.74 116.57 116.30 1qnd h LYS 19 Ca 0.36 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 60.21 1qnd h LYS 19 Cb 0.08 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 1qnd h LYS 19 CO -0.12 0.41 0.48 -0.07 -3.45 0.00 0.00 179.45 176.71 1qnd h LEU 20 N 0.02 0.50 0.22 5.20 3.38 -0.48 -0.44 115.31 123.72 1qnd h LEU 20 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1qnd h LEU 20 Cb 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1qnd h LEU 20 CO 0.00 0.29 -0.11 -0.33 0.09 0.00 0.00 178.44 178.38 1qnd h GLU 21 N 0.55 -0.29 -0.48 1.13 4.39 -0.78 0.19 114.58 119.30 1qnd h GLU 21 Ca 0.35 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1qnd h GLU 21 Cb 0.60 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1qnd h GLU 21 CO -0.12 0.02 0.30 0.93 -1.16 0.00 0.00 179.01 178.98 1qnd h GLU 22 N -0.61 0.59 -0.40 2.33 5.08 -1.10 -3.38 114.58 117.09 1qnd h GLU 22 Ca -0.03 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.01 1qnd h GLU 22 Cb 0.44 -0.13 -0.20 0.00 0.50 0.00 0.00 28.75 29.35 1qnd h GLU 22 CO 0.05 0.39 -0.59 -1.91 -1.00 0.00 0.00 179.01 175.95 1qnd n GLU 23 N -4.79 1.04 0.02 2.33 2.13 -0.23 -4.96 120.64 116.18 1qnd n GLU 23 Ca 0.02 -2.22 0.03 0.00 0.66 0.00 0.00 57.16 55.65 1qnd n GLU 23 Cb 0.05 -1.04 0.39 0.00 0.27 0.00 0.00 31.44 31.11 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 2.88 0.51 -0.00 8.31 0.00 -0.70 -3.03 103.07 111.05 1qnd h GLY 24 Ca -0.09 -0.23 0.21 0.00 0.00 0.00 0.00 47.33 47.22 1qnd h GLY 24 CO 0.19 0.23 0.59 0.83 0.00 0.00 0.00 176.54 178.37 1qnd h GLU 25 N 0.48 0.65 0.00 4.80 4.39 -1.78 0.39 114.58 123.52 1qnd h GLU 25 Ca 0.12 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1qnd h GLU 25 Cb 0.11 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1qnd h GLU 25 CO -0.01 0.43 -0.41 0.37 -1.16 0.00 0.00 179.01 178.23 1qnd h GLN 26 N 0.67 0.00 0.17 2.33 4.15 -1.90 -2.95 115.11 117.59 1qnd h GLN 26 Ca 0.61 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.69 1qnd h GLN 26 Cb 1.04 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.74 1qnd h GLN 26 CO -0.43 0.00 -1.68 0.74 -1.93 0.00 0.00 178.83 175.53 1qnd h PHE 27 N 0.00 0.66 -0.56 3.99 -1.00 -1.12 -3.36 116.94 115.54 1qnd h PHE 27 Ca 0.00 -0.48 0.09 0.00 2.81 0.00 0.00 57.97 60.39 1qnd h PHE 27 Cb 0.93 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.40 1qnd h PHE 27 CO 0.00 1.59 0.19 0.28 -1.61 0.00 0.00 178.31 178.76 1qnd h VAL 28 N 0.10 0.77 0.00 -0.55 2.07 -0.34 -1.41 116.25 116.89 1qnd h VAL 28 Ca -0.31 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1qnd h VAL 28 Cb 2.08 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1qnd h VAL 28 CO 0.18 0.07 0.02 0.29 0.02 0.00 0.00 177.57 178.14 1qnd n LYS 29 N -5.02 0.09 -0.05 1.57 4.76 -1.11 -1.11 118.16 117.27 1qnd n LYS 29 Ca 0.07 0.58 -0.04 0.00 -2.87 0.00 0.00 58.31 56.05 1qnd n LYS 29 Cb 0.25 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 1qnd n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qnd n LYS 30 N -1.96 0.33 0.07 1.97 5.02 -0.53 -4.63 118.16 118.42 1qnd n LYS 30 Ca -0.01 0.36 -0.19 0.00 -2.02 0.00 0.00 58.31 56.46 1qnd n LYS 30 Cb 0.04 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 1qnd n LYS 30 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1qnd h ILE 31 N -0.69 1.33 -6.39 -0.18 2.04 -1.58 -3.46 117.51 108.58 1qnd h ILE 31 Ca 0.00 -2.44 -0.47 0.00 1.00 0.00 0.00 64.86 62.94 1qnd h ILE 31 Cb 0.44 2.54 0.05 0.00 -0.74 0.00 0.00 36.82 39.12 1qnd h ILE 31 CO 0.00 0.74 -0.95 0.61 0.00 0.00 0.00 178.15 178.55 1qnd n GLY 32 N 1.18 -0.89 2.66 5.37 0.00 -0.27 -4.93 105.19 108.32 1qnd n GLY 32 Ca -0.11 0.40 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.79 0.76 3.51 -0.02 0.00 -0.59 -4.84 105.19 102.21 1qnd n GLY 33 Ca -0.12 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.20 3.81 0.35 -0.61 1.09 -1.26 -0.57 121.20 121.82 1qnd s ILE 34 Ca 0.16 -0.40 0.07 0.00 -1.10 0.00 0.00 60.65 59.39 1qnd s ILE 34 Cb -0.02 -2.65 -0.07 0.00 -1.06 0.00 0.00 42.46 38.67 1qnd s ILE 34 CO 0.03 0.52 -0.03 0.72 -0.10 0.00 0.00 174.94 176.07 1qnd s PHE 35 N 0.14 2.31 0.02 3.97 -0.12 -0.73 -1.46 117.98 122.12 1qnd s PHE 35 Ca -0.02 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.24 1qnd s PHE 35 Cb -0.14 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.76 1qnd s PHE 35 CO 0.03 0.42 -0.02 0.00 -0.05 0.00 0.00 175.22 175.60 1qnd s ALA 36 N -2.80 3.22 -0.58 1.99 0.00 -0.62 -0.93 121.76 122.05 1qnd s ALA 36 Ca 0.33 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.10 1qnd s ALA 36 Cb 0.06 -1.25 0.10 0.00 0.00 0.00 0.00 23.12 22.03 1qnd s ALA 36 CO 0.16 0.65 0.67 -0.06 0.00 0.00 0.00 175.76 177.19 1qnd s PHE 37 N -1.13 3.03 -0.72 0.00 0.08 -0.12 -2.22 117.98 116.90 1qnd s PHE 37 Ca 0.21 -0.98 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 1qnd s PHE 37 Cb -0.11 -3.96 0.02 0.00 -0.57 0.00 0.00 43.02 38.39 1qnd s PHE 37 CO 0.12 -1.25 1.45 0.21 -0.10 0.00 0.00 175.22 175.65 1qnd s LYS 38 N 2.54 3.04 0.08 0.44 2.47 -0.63 -3.58 119.74 124.11 1qnd s LYS 38 Ca 0.10 -0.04 -0.29 0.00 -1.56 0.00 0.00 55.97 54.19 1qnd s LYS 38 Cb -0.25 -4.29 -0.05 0.00 -1.46 0.00 0.00 37.83 31.79 1qnd s LYS 38 CO 0.06 -2.33 0.92 0.08 0.16 0.00 0.00 175.35 174.24 1qnd s VAL 39 N 6.68 4.61 0.49 4.02 1.01 -0.95 -2.58 120.40 133.68 1qnd s VAL 39 Ca 0.45 1.97 0.05 0.00 0.00 0.00 0.00 61.98 64.44 1qnd s VAL 39 Cb -0.09 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1qnd s VAL 39 CO 0.16 0.30 0.16 -1.59 0.00 0.00 0.00 175.10 174.13 1qnd s LYS 40 N 0.16 2.20 -1.23 2.72 0.00 -1.23 -3.46 119.74 118.89 1qnd s LYS 40 Ca 0.46 -2.12 -0.03 0.00 0.00 0.00 0.00 55.97 54.28 1qnd s LYS 40 Cb -0.22 -1.82 -0.01 0.00 0.00 0.00 0.00 37.83 35.77 1qnd s LYS 40 CO 0.28 -0.34 0.79 -3.47 0.00 0.00 0.00 175.35 172.61 1qnd n ASP 41 N -1.37 -2.54 -4.04 0.03 -0.08 -1.04 -0.73 116.55 106.78 1qnd n ASP 41 Ca -0.08 -0.79 -0.29 0.00 -1.51 0.00 0.00 54.79 52.11 1qnd n ASP 41 Cb 0.66 -4.34 0.24 0.00 2.34 0.00 0.00 41.12 40.02 1qnd n ASP 41 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1qnd s GLY 42 N -4.13 1.53 0.00 0.27 0.00 -0.69 -3.86 107.32 100.43 1qnd s GLY 42 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1qnd s GLY 42 CO 0.79 0.19 0.17 -1.55 0.00 0.00 0.00 173.10 172.70 1qnd n PRO 43 N -4.91 0.00 0.00 2.90 -0.04 -1.26 -0.70 135.00 131.00 1qnd n PRO 43 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1qnd n PRO 43 Cb 0.58 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 44 N -0.64 0.00 0.00 0.55 0.00 -1.26 -5.05 105.19 98.80 1qnd n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qnd n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 45 N 1.91 1.63 1.89 -0.02 0.00 0.13 -5.12 105.19 105.61 1qnd n GLY 45 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N -0.43 -2.74 -4.54 1.61 5.02 -1.26 -4.17 118.16 111.64 1qnd n LYS 46 Ca 0.00 -0.92 -0.25 0.00 -2.02 0.00 0.00 58.31 55.12 1qnd n LYS 46 Cb 0.00 -0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 -4.31 1.80 0.27 1.97 -1.05 -1.26 -1.71 118.70 114.41 1qnd s GLU 47 Ca 0.39 -1.96 -0.04 0.00 -0.15 0.00 0.00 54.97 53.21 1qnd s GLU 47 Cb -0.05 -1.50 -0.02 0.00 -0.44 0.00 0.00 34.13 32.13 1qnd s GLU 47 CO 0.31 0.03 0.34 0.00 0.95 0.00 0.00 175.26 176.88 1qnd s ALA 48 N -2.79 0.75 -0.03 -0.84 0.00 -1.22 -0.66 121.76 116.97 1qnd s ALA 48 Ca 0.33 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1qnd s ALA 48 Cb 0.06 1.25 0.01 0.00 0.00 0.00 0.00 23.12 24.43 1qnd s ALA 48 CO 0.16 -0.73 0.13 0.99 0.00 0.00 0.00 175.76 176.31 1qnd s THR 49 N -3.74 0.04 -0.09 0.00 2.01 -1.26 -2.25 115.64 110.35 1qnd s THR 49 Ca 0.32 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1qnd s THR 49 Cb 0.02 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1qnd s THR 49 CO 0.15 -0.16 -0.09 0.26 -0.69 0.00 0.00 174.62 174.10 1qnd s TRP 50 N -0.52 2.89 -0.04 4.92 0.51 -1.23 -2.84 118.94 122.63 1qnd s TRP 50 Ca -0.06 -0.15 -0.04 0.00 -2.12 0.00 0.00 56.10 53.73 1qnd s TRP 50 Cb -0.04 -1.75 -0.04 0.00 -0.81 0.00 0.00 33.47 30.83 1qnd s TRP 50 CO 0.01 0.18 0.16 0.08 -0.51 0.00 0.00 176.95 176.86 1qnd s VAL 51 N -0.46 5.38 -0.23 4.03 1.01 -0.67 -0.95 120.40 128.51 1qnd s VAL 51 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1qnd s VAL 51 Cb -0.12 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1qnd s VAL 51 CO 0.02 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1qnd s VAL 52 N -1.23 1.00 -0.07 2.92 1.01 -0.11 -0.52 120.40 123.41 1qnd s VAL 52 Ca 0.23 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1qnd s VAL 52 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1qnd s VAL 52 CO 0.14 -0.27 1.21 -0.62 0.00 0.00 0.00 175.10 175.57 1qnd s ASP 53 N 1.62 7.03 -0.29 3.32 -1.08 0.20 -1.77 116.67 125.71 1qnd s ASP 53 Ca -0.01 1.80 0.21 0.00 -0.52 0.00 0.00 52.55 54.03 1qnd s ASP 53 Cb -0.18 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.21 1qnd s ASP 53 CO -0.10 -0.61 1.04 1.33 0.52 0.00 0.00 175.17 177.35 1qnd n VAL 54 N 4.72 1.17 0.00 1.11 0.24 0.27 -2.06 118.33 123.79 1qnd n VAL 54 Ca 0.11 -3.00 0.00 0.00 -2.04 0.00 0.00 64.34 59.41 1qnd n VAL 54 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.38 0.00 -3.05 7.34 4.81 -1.04 -1.54 118.16 124.29 1qnd n LYS 55 Ca 0.08 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.09 1qnd n LYS 55 Cb 0.81 -0.34 -0.05 0.00 0.02 0.00 0.00 35.03 35.47 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qnd s ASN 56 N -4.31 6.22 1.63 3.14 0.01 -1.26 -4.81 114.94 115.56 1qnd s ASN 56 Ca 0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 1qnd s ASN 56 Cb 0.00 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1qnd s ASN 56 CO 0.00 -1.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.11 1qnd n GLY 57 N 5.22 2.39 0.10 0.66 0.00 -1.26 0.09 105.19 112.39 1qnd n GLY 57 Ca -0.06 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 5.36 0.56 0.00 1.61 5.02 -1.26 -4.44 118.16 125.01 1qnd n LYS 58 Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 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 1.32 1.37 0.00 0.72 0.00 0.11 -4.01 105.19 104.71 1qnd n GLY 59 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 6.75 0.00 -4.79 1.61 7.64 -0.87 -4.83 113.62 119.12 1qnd n SER 60 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1qnd n SER 60 Cb 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.24 3.61 -0.09 0.44 1.01 -1.26 -0.63 120.40 121.24 1qnd s VAL 61 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.06 1qnd s VAL 61 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1qnd s VAL 61 CO 0.00 -0.14 -0.06 -0.76 0.00 0.00 0.00 175.10 174.14 1qnd s LEU 62 N -3.27 1.13 0.22 3.92 1.02 0.33 -4.90 118.68 117.13 1qnd s LEU 62 Ca 0.65 -0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.27 1qnd s LEU 62 Cb -0.20 -0.70 -0.08 0.00 0.02 0.00 0.00 46.19 45.22 1qnd s LEU 62 CO 0.24 -0.11 1.00 -2.16 0.02 0.00 0.00 176.35 175.35 1qnd s PRO 63 N 1.53 4.75 -1.29 1.29 0.04 -1.26 -1.66 135.00 138.40 1qnd s PRO 63 Ca 0.00 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1qnd s PRO 63 Cb -0.13 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1qnd s PRO 63 CO -0.05 0.34 0.00 0.09 0.04 0.00 0.00 177.00 177.42 1qnd n ASN 64 N 1.76 -3.78 -4.78 6.66 3.02 -1.13 -4.79 115.26 112.22 1qnd n ASN 64 Ca -0.00 0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 1qnd n ASN 64 Cb 0.47 -3.37 -0.04 0.00 -0.61 0.00 0.00 39.78 36.23 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 -2.08 6.82 0.00 6.41 0.15 -1.25 -4.92 113.70 118.83 1qnd s SER 65 Ca 0.00 2.11 0.13 0.00 0.70 0.00 0.00 55.95 58.89 1qnd s SER 65 Cb 0.00 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 62.26 1qnd s SER 65 CO 0.00 -0.45 1.39 -0.67 1.20 0.00 0.00 173.24 174.71 1qnd n ASP 66 N 0.17 1.00 -4.71 5.45 2.03 -1.26 -4.74 116.55 114.48 1qnd n ASP 66 Ca 0.04 -1.79 -0.42 0.00 0.52 0.00 0.00 54.79 53.14 1qnd n ASP 66 Cb 0.48 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 1qnd n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1qnd s LYS 67 N -1.81 4.16 0.82 -0.67 2.20 -1.26 -5.02 119.74 118.16 1qnd s LYS 67 Ca 0.22 2.50 -0.14 0.00 -0.36 0.00 0.00 55.97 58.19 1qnd s LYS 67 Cb 0.11 -3.18 0.20 0.00 -1.51 0.00 0.00 37.83 33.46 1qnd s LYS 67 CO 0.17 -0.71 0.68 0.36 -0.36 0.00 0.00 175.35 175.49 1qnd n LYS 68 N 4.23 -2.65 -4.07 4.03 2.85 -1.26 -4.99 118.16 116.30 1qnd n LYS 68 Ca 0.15 -1.09 -0.08 0.00 -1.05 0.00 0.00 58.31 56.24 1qnd n LYS 68 Cb 0.37 -1.08 -0.10 0.00 -0.65 0.00 0.00 35.03 33.57 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 -2.84 0.46 -0.00 0.58 0.00 -1.26 -4.91 121.76 113.78 1qnd s ALA 69 Ca 0.45 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1qnd s ALA 69 Cb -0.05 0.21 -0.22 0.00 0.00 0.00 0.00 23.12 23.05 1qnd s ALA 69 CO 0.35 -0.27 1.10 0.38 0.00 0.00 0.00 175.76 177.33 1qnd h ASP 70 N 3.65 0.45 -4.30 0.00 3.04 -1.62 -3.49 116.42 114.15 1qnd h ASP 70 Ca -0.34 -0.74 -0.50 0.00 -3.24 0.00 0.00 57.03 52.22 1qnd h ASP 70 Cb 1.17 -0.14 -0.13 0.00 -1.04 0.00 0.00 39.33 39.19 1qnd h ASP 70 CO 0.57 1.13 -0.52 0.00 -2.04 0.00 0.00 179.24 178.38 1qnd n THR 72 N -0.74 0.00 -3.80 0.00 -1.04 -1.26 -1.59 114.28 105.85 1qnd n THR 72 Ca -0.00 -1.95 -0.12 0.00 -2.04 0.00 0.00 64.05 59.94 1qnd n THR 72 Cb 0.64 0.94 -0.08 0.00 -1.82 0.00 0.00 70.33 70.01 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 -3.05 0.08 -0.22 12.58 2.07 -0.94 -3.31 121.20 128.42 1qnd s ILE 73 Ca 0.30 -0.69 -0.06 0.00 -1.41 0.00 0.00 60.65 58.80 1qnd s ILE 73 Cb 0.01 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1qnd s ILE 73 CO 0.21 -0.38 0.02 -0.89 -1.91 0.00 0.00 174.94 171.99 1qnd s THR 74 N -2.08 3.99 -0.26 4.00 2.01 -1.26 -1.60 115.64 120.44 1qnd s THR 74 Ca -0.09 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1qnd s THR 74 Cb -0.03 -2.82 0.12 0.00 0.01 0.00 0.00 72.50 69.77 1qnd s THR 74 CO -0.01 0.40 0.55 -0.04 -0.69 0.00 0.00 174.62 174.83 1qnd s MET 75 N 1.23 0.47 1.03 4.92 -1.94 -1.07 -4.64 119.30 119.31 1qnd s MET 75 Ca 0.04 1.24 -0.20 0.00 -1.71 0.00 0.00 55.69 55.06 1qnd s MET 75 Cb -0.15 0.61 -0.04 0.00 2.01 0.00 0.00 34.83 37.26 1qnd s MET 75 CO 0.01 -0.25 -0.52 0.00 -0.01 0.00 0.00 175.02 174.25 1qnd n ALA 76 N 5.42 -4.59 0.13 3.03 0.00 -1.26 -3.49 120.51 119.75 1qnd n ALA 76 Ca -0.10 -1.07 -0.13 0.00 0.00 0.00 0.00 53.44 52.14 1qnd n ALA 76 Cb 0.49 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.46 -0.70 0.00 0.00 1.82 -1.04 0.17 116.42 115.21 1qnd h ASP 77 Ca -0.46 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1qnd h ASP 77 Cb 1.34 0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.61 1qnd h ASP 77 CO 0.30 -0.35 0.00 -0.24 -1.61 0.00 0.00 179.24 177.34 1qnd n SER 78 N -5.37 0.00 -0.06 2.28 2.88 -1.26 -0.07 113.62 112.01 1qnd n SER 78 Ca -0.07 -0.35 -0.06 0.00 -1.33 0.00 0.00 58.87 57.06 1qnd n SER 78 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 1qnd n SER 78 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qnd n ASP 79 N -0.92 1.28 -0.35 -3.46 8.00 -0.80 -4.41 116.55 115.89 1qnd n ASP 79 Ca 0.06 0.22 -0.03 0.00 0.71 0.00 0.00 54.79 55.75 1qnd n ASP 79 Cb 0.03 -0.66 0.10 0.00 -0.02 0.00 0.00 41.12 40.57 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1qnd h PHE 80 N -0.66 1.26 -0.16 1.24 0.04 0.67 -0.74 116.94 118.59 1qnd h PHE 80 Ca 0.00 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1qnd h PHE 80 Cb 0.66 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1qnd h PHE 80 CO -0.28 0.84 -0.56 -0.07 -0.60 0.00 0.00 178.31 177.63 1qnd h LEU 81 N 1.31 0.53 -0.88 1.54 -0.00 -0.72 -3.26 115.31 113.84 1qnd h LEU 81 Ca 0.34 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.88 57.83 1qnd h LEU 81 Cb -0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 1qnd h LEU 81 CO -0.06 0.98 -0.33 0.00 -0.00 0.00 0.00 178.44 179.03 1qnd h ALA 82 N 1.03 1.05 -1.75 1.53 0.00 -1.42 -3.27 119.26 116.43 1qnd h ALA 82 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qnd h ALA 82 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qnd h ALA 82 CO 0.10 0.58 0.00 -0.11 0.00 0.00 0.00 179.25 179.82 1qnd n LEU 83 N -4.08 0.00 -2.61 0.00 0.00 -0.38 -2.17 117.00 107.76 1qnd n LEU 83 Ca -0.01 0.71 -0.19 0.00 0.00 0.00 0.00 56.01 56.52 1qnd n LEU 83 Cb 0.45 -0.21 -0.09 0.00 0.00 0.00 0.00 43.42 43.57 1qnd n LEU 83 CO 0.43 -0.21 2.08 1.15 0.00 0.00 0.00 177.39 180.84 1qnd n MET 84 N -1.59 2.21 0.00 1.96 0.00 -1.24 -2.58 117.12 115.87 1qnd n MET 84 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 57.70 56.43 1qnd n MET 84 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 30.99 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 3.16 0.00 -1.80 3.17 -2.24 -0.92 -5.01 114.28 110.64 1qnd n THR 85 Ca 0.47 -0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 62.19 1qnd n THR 85 Cb 0.49 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.06 -0.60 0.00 3.38 0.00 -1.07 -4.88 105.19 102.08 1qnd n GLY 86 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.91 4.85 -3.53 1.61 3.00 -1.14 -5.00 118.16 117.02 1qnd n LYS 87 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.03 1qnd n LYS 87 Cb 0.36 -0.48 -0.12 0.00 0.00 0.00 0.00 35.03 34.79 1qnd n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qnd s MET 88 N -0.16 0.90 0.05 1.64 0.23 -1.26 -5.01 119.30 115.69 1qnd s MET 88 Ca 0.00 -1.76 -0.29 0.00 -1.03 0.00 0.00 55.69 52.61 1qnd s MET 88 Cb 0.00 -1.69 -0.18 0.00 -1.53 0.00 0.00 34.83 31.43 1qnd s MET 88 CO 0.00 -1.24 1.50 -0.97 -2.03 0.00 0.00 175.02 172.28 1qnd h ASN 89 N 6.58 -0.58 -4.05 -1.18 -0.73 -1.94 -3.42 115.58 110.26 1qnd h ASN 89 Ca 0.09 -0.03 -0.51 0.00 1.87 0.00 0.00 56.30 57.72 1qnd h ASN 89 Cb 0.94 0.15 0.08 0.00 0.27 0.00 0.00 38.32 39.76 1qnd h ASN 89 CO 0.36 -0.33 0.48 -2.16 -0.37 0.00 0.00 177.43 175.41 1qnd s PRO 90 N -5.60 3.43 -0.21 6.67 0.04 -1.26 -4.92 135.00 133.15 1qnd s PRO 90 Ca -0.16 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 62.34 1qnd s PRO 90 Cb 0.03 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1qnd s PRO 90 CO 0.59 -0.83 2.12 0.94 0.04 0.00 0.00 177.00 179.86 1qnd n GLN 91 N -1.00 1.81 -0.12 4.56 7.27 -1.26 -4.87 117.38 123.77 1qnd n GLN 91 Ca 0.10 0.56 -0.05 0.00 0.07 0.00 0.00 57.00 57.68 1qnd n GLN 91 Cb 0.49 -2.86 0.03 0.00 2.41 0.00 0.00 30.24 30.31 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 12.68 -0.04 -0.64 1.69 0.87 -1.91 -1.85 113.55 124.35 1qnd h SER 92 Ca -0.39 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 1qnd h SER 92 Cb 1.27 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 1qnd h SER 92 CO 0.97 0.02 0.10 0.00 -0.53 0.00 0.00 176.83 177.39 1qnd h ALA 93 N 1.31 0.85 -0.20 6.23 0.00 -1.90 0.20 119.26 125.75 1qnd h ALA 93 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1qnd h ALA 93 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qnd h ALA 93 CO -0.27 0.62 0.06 0.35 0.00 0.00 0.00 179.25 180.02 1qnd h PHE 94 N 0.98 0.32 0.75 0.00 3.04 -1.90 -1.95 116.94 118.18 1qnd h PHE 94 Ca 0.19 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 1qnd h PHE 94 Cb 0.44 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 1qnd h PHE 94 CO 0.03 0.39 -0.45 0.35 -2.02 0.00 0.00 178.31 176.62 1qnd h PHE 95 N 0.15 -1.19 0.00 0.41 3.57 -0.45 -2.80 116.94 116.63 1qnd h PHE 95 Ca 0.06 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1qnd h PHE 95 Cb 0.22 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1qnd h PHE 95 CO -0.00 -0.68 -0.34 -0.56 -2.23 0.00 0.00 178.31 174.49 1qnd h GLN 96 N -1.12 0.00 0.00 1.11 3.07 -0.74 -3.47 115.11 113.95 1qnd h GLN 96 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1qnd h GLN 96 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1qnd h GLN 96 CO 0.11 0.34 0.00 0.41 0.09 0.00 0.00 178.83 179.78 1qnd n GLY 97 N -0.28 0.88 0.00 0.06 0.00 -0.74 -5.04 105.19 100.07 1qnd n GLY 97 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.23 0.00 -2.72 1.61 4.76 -1.19 -4.88 118.16 113.50 1qnd n LYS 98 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1qnd n LYS 98 Cb 0.00 -0.67 0.06 0.00 -1.84 0.00 0.00 35.03 32.57 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 -0.28 -2.39 -4.80 -0.35 7.94 -1.26 -5.14 117.00 110.71 1qnd n LEU 99 Ca 0.00 -2.82 -0.30 0.00 -1.11 0.00 0.00 56.01 51.77 1qnd n LEU 99 Cb 0.00 0.75 0.09 0.00 0.53 0.00 0.00 43.42 44.79 1qnd n LEU 99 CO 0.00 1.87 0.71 -1.59 -1.11 0.00 0.00 177.39 177.26 1qnd s LYS 100 N 0.51 2.16 0.27 1.96 0.00 -1.26 -4.08 119.74 119.30 1qnd s LYS 100 Ca 0.30 0.70 0.02 0.00 0.00 0.00 0.00 55.97 57.00 1qnd s LYS 100 Cb 0.22 -1.92 -0.04 0.00 0.00 0.00 0.00 37.83 36.09 1qnd s LYS 100 CO -0.20 -1.59 0.15 0.42 0.00 0.00 0.00 175.35 174.14 1qnd s ILE 101 N -3.12 0.26 0.34 3.79 -1.09 -1.26 -4.82 121.20 115.30 1qnd s ILE 101 Ca 0.61 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1qnd s ILE 101 Cb -0.15 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1qnd s ILE 101 CO 0.54 0.00 0.00 0.41 -1.23 0.00 0.00 174.94 174.66 1qnd n THR 102 N -0.49 0.00 -1.62 2.92 -1.04 -1.21 -4.59 114.28 108.25 1qnd n THR 102 Ca 0.02 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 1qnd n THR 102 Cb 0.65 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qnd n GLY 103 N -3.81 0.72 1.65 3.41 0.00 -1.26 -5.03 105.19 100.86 1qnd n GLY 103 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 5.68 -3.76 1.61 3.02 -1.26 -4.87 115.26 115.69 1qnd n ASN 104 Ca 0.00 -2.61 -0.13 0.00 -0.03 0.00 0.00 54.58 51.81 1qnd n ASN 104 Cb 0.36 -1.13 0.01 0.00 -0.61 0.00 0.00 39.78 38.41 1qnd n ASN 104 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1qnd n MET 105 N 1.22 -0.78 0.00 3.52 2.81 -1.26 -4.38 117.12 118.24 1qnd n MET 105 Ca 0.11 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1qnd n MET 105 Cb 0.54 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 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 -1.23 0.00 0.12 3.03 0.00 -1.26 -4.85 105.19 100.99 1qnd n GLY 106 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.80 0.00 0.99 -0.00 -1.26 -3.79 117.00 113.74 1qnd n LEU 107 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 56.01 56.62 1qnd n LEU 107 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1qnd n LEU 107 CO 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 177.39 177.07 1qnd n ALA 108 N -1.79 0.00 -3.41 1.47 0.00 -1.26 -4.92 120.51 110.59 1qnd n ALA 108 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1qnd n ALA 108 Cb 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 1qnd n ALA 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1qnd s MET 109 N 0.00 0.62 -0.06 0.00 1.75 -1.26 -5.03 119.30 115.32 1qnd s MET 109 Ca 0.00 -1.27 -0.06 0.00 -1.25 0.00 0.00 55.69 53.11 1qnd s MET 109 Cb 0.00 -1.11 -0.03 0.00 2.84 0.00 0.00 34.83 36.52 1qnd s MET 109 CO 0.00 -1.23 0.27 -0.22 -0.65 0.00 0.00 175.02 173.19 1qnd h LYS 110 N 6.84 -0.20 0.00 4.11 1.63 -1.89 -3.44 116.57 123.61 1qnd h LYS 110 Ca 0.08 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1qnd h LYS 110 Cb 0.99 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1qnd h LYS 110 CO 0.25 -0.13 0.00 1.47 -3.45 0.00 0.00 179.45 177.58 1qnd n LEU 111 N -4.50 0.00 -0.07 5.20 -0.00 -1.26 -5.07 117.00 111.30 1qnd n LEU 111 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.94 1qnd n LEU 111 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 1qnd n LEU 111 CO 0.06 0.00 -0.32 1.56 -0.00 0.00 0.00 177.39 178.69 1qnd h GLN 112 N 0.00 0.00 -0.04 1.47 4.20 -1.94 -3.40 115.11 115.40 1qnd h GLN 112 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1qnd h GLN 112 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1qnd h GLN 112 CO 0.00 0.00 0.16 -0.91 -0.67 0.00 0.00 178.83 177.41 1qnd h ASN 113 N -0.98 0.00 0.38 1.46 4.21 -1.99 0.14 115.58 118.80 1qnd h ASN 113 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1qnd h ASN 113 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1qnd h ASN 113 CO 0.00 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.03 1qnd n LEU 114 N -3.17 0.00 -2.57 1.61 0.00 -1.26 -4.30 117.00 107.30 1qnd n LEU 114 Ca -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 56.01 56.20 1qnd n LEU 114 Cb 0.23 -0.24 0.10 0.00 0.00 0.00 0.00 43.42 43.51 1qnd n LEU 114 CO 0.19 -0.05 0.56 0.00 0.00 0.00 0.00 177.39 178.09 1qnd n GLN 115 N -1.24 1.09 -0.93 1.96 6.02 0.47 -4.75 117.38 120.00 1qnd n GLN 115 Ca 0.12 -1.27 0.08 0.00 -0.01 0.00 0.00 57.00 55.92 1qnd n GLN 115 Cb 0.17 0.19 -0.04 0.00 1.02 0.00 0.00 30.24 31.58 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 -1.00 -0.47 -4.91 1.08 4.77 -1.10 -4.67 117.00 110.69 1qnd n LEU 116 Ca -0.12 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.66 1qnd n LEU 116 Cb 0.82 -2.25 0.11 0.00 -2.33 0.00 0.00 43.42 39.76 1qnd n LEU 116 CO -0.11 -0.98 0.79 -1.10 -1.33 0.00 0.00 177.39 174.65 1qnd s GLN 117 N -4.64 1.68 0.94 3.23 -0.21 -1.26 -4.43 119.66 114.97 1qnd s GLN 117 Ca 0.00 -0.06 -0.14 0.00 0.02 0.00 0.00 55.36 55.18 1qnd s GLN 117 Cb 0.00 -1.95 0.20 0.00 1.00 0.00 0.00 33.01 32.26 1qnd s GLN 117 CO 0.00 -1.75 1.28 -1.25 -2.12 0.00 0.00 175.29 171.46 1qnd s PRO 118 N -5.61 0.68 0.00 2.91 0.04 -1.26 -5.00 135.00 126.76 1qnd s PRO 118 Ca 0.65 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 1qnd s PRO 118 Cb -0.09 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.63 1qnd s PRO 118 CO 0.49 -2.34 1.26 0.20 0.04 0.00 0.00 177.00 176.66 1qnd s GLY 119 N -4.90 -0.23 -0.24 0.56 0.00 -1.26 -5.07 107.32 96.18 1qnd s GLY 119 Ca 0.74 0.29 -0.16 0.00 0.00 0.00 0.00 44.72 45.59 1qnd s GLY 119 CO 0.52 2.97 -0.21 0.70 0.00 0.00 0.00 173.10 177.08 1qnd n ASN 120 N -0.83 1.92 -3.31 1.64 3.02 -1.26 -4.80 115.26 111.64 1qnd n ASN 120 Ca -0.02 0.38 -0.23 0.00 -0.03 0.00 0.00 54.58 54.67 1qnd n ASN 120 Cb 0.61 -0.85 0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qnd n ALA 121 N -4.04 -2.61 0.00 5.41 0.00 -1.26 -4.81 120.51 113.20 1qnd n ALA 121 Ca -0.40 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qnd n ALA 121 Cb 0.74 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1qnd n ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qnd n LYS 122 N -0.79 0.00 0.00 0.00 4.01 -1.26 -5.22 118.16 114.90 1qnd n LYS 122 Ca -0.05 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.79 1qnd n LYS 122 Cb 0.60 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 35.16 1qnd n LYS 122 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76