#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 5.77 -3.66 6.43 3.41 -1.26 -4.80 113.62 119.51 1qnd n SER 2 Ca 0.00 -2.43 -0.15 0.00 -0.26 0.00 0.00 58.87 56.04 1qnd n SER 2 Cb 0.00 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 62.64 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 3.17 1.11 0.00 7.33 0.00 -1.26 -5.19 121.76 126.92 1qnd s ALA 3 Ca 0.49 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1qnd s ALA 3 Cb 0.13 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.56 1qnd s ALA 3 CO -0.03 -0.70 0.00 -1.13 0.00 0.00 0.00 175.76 173.90 1qnd n SER 4 N -0.98 0.00 -2.01 0.00 3.41 -1.26 -4.79 113.62 107.99 1qnd n SER 4 Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1qnd n SER 4 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1qnd n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qnd n ASP 5 N 0.00 -5.53 -3.32 4.04 2.03 -1.26 -4.92 116.55 107.59 1qnd n ASP 5 Ca 0.00 0.13 -0.32 0.00 0.52 0.00 0.00 54.79 55.12 1qnd n ASP 5 Cb 0.00 -4.62 -0.03 0.00 -0.72 0.00 0.00 41.12 35.76 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qnd n GLY 6 N -0.89 5.59 3.33 0.27 0.00 -1.26 -5.02 105.19 107.21 1qnd n GLY 6 Ca -0.22 -2.72 -0.14 0.00 0.00 0.00 0.00 46.02 42.94 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 -3.48 -0.42 0.15 1.61 0.40 -1.26 -4.66 117.98 110.32 1qnd s PHE 7 Ca 0.43 0.95 0.33 0.00 -0.60 0.00 0.00 56.93 58.04 1qnd s PHE 7 Cb 0.21 0.17 1.68 0.00 0.51 0.00 0.00 43.02 45.59 1qnd s PHE 7 CO -0.09 -0.31 2.00 0.87 0.70 0.00 0.00 175.22 178.40 1qnd h LYS 8 N 4.81 0.00 0.00 0.44 1.57 -1.98 -1.43 116.57 119.98 1qnd h LYS 8 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1qnd h LYS 8 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1qnd h LYS 8 CO 0.29 0.00 0.19 0.00 -0.57 0.00 0.00 179.45 179.36 1qnd n ALA 9 N -1.95 0.74 -0.11 3.86 0.00 -1.26 -3.13 120.51 118.67 1qnd n ALA 9 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1qnd n ALA 9 Cb 0.12 -0.88 0.48 0.00 0.00 0.00 0.00 19.45 19.17 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 0.41 0.72 0.00 -0.73 -1.65 -0.38 115.58 113.94 1qnd h ASN 10 Ca 0.00 0.01 -0.26 0.00 1.87 0.00 0.00 56.30 57.92 1qnd h ASN 10 Cb 0.38 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 1qnd h ASN 10 CO 0.00 0.25 -1.33 0.17 -0.37 0.00 0.00 177.43 176.15 1qnd h LEU 11 N 0.46 0.11 0.57 0.34 -0.00 -1.83 -3.25 115.31 111.71 1qnd h LEU 11 Ca 0.29 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 1qnd h LEU 11 Cb 0.54 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1qnd h LEU 11 CO -0.09 1.12 -0.35 0.58 -0.00 0.00 0.00 178.44 179.70 1qnd h VAL 12 N 0.02 0.00 0.00 0.15 2.07 -1.28 0.75 116.25 117.96 1qnd h VAL 12 Ca -0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1qnd h VAL 12 Cb 1.90 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1qnd h VAL 12 CO 0.13 0.00 -0.22 -0.26 0.02 0.00 0.00 177.57 177.23 1qnd h PHE 13 N -0.86 0.00 -0.08 1.57 0.04 -1.46 -2.16 116.94 113.99 1qnd h PHE 13 Ca -0.08 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.52 1qnd h PHE 13 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1qnd h PHE 13 CO -0.05 0.22 -0.69 -0.22 -0.60 0.00 0.00 178.31 176.98 1qnd h LYS 14 N 0.00 0.36 -0.02 1.51 3.64 -1.54 -1.83 116.57 118.69 1qnd h LYS 14 Ca -0.00 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1qnd h LYS 14 Cb 0.55 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1qnd h LYS 14 CO 0.03 0.91 -0.07 0.93 -2.27 0.00 0.00 179.45 178.98 1qnd h GLU 15 N 0.25 0.03 0.21 1.90 4.39 -0.18 0.62 114.58 121.80 1qnd h GLU 15 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1qnd h GLU 15 Cb 1.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1qnd h GLU 15 CO 0.11 0.10 -0.10 0.82 -1.16 0.00 0.00 179.01 178.78 1qnd h ILE 16 N 0.03 0.87 -0.54 3.13 2.04 -1.34 -3.12 117.51 118.57 1qnd h ILE 16 Ca 0.01 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.35 1qnd h ILE 16 Cb 0.14 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1qnd h ILE 16 CO 0.01 0.13 0.25 -0.08 0.00 0.00 0.00 178.15 178.46 1qnd h GLU 17 N -0.58 0.47 -0.36 2.37 4.81 -0.47 -1.13 114.58 119.69 1qnd h GLU 17 Ca -0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1qnd h GLU 17 Cb 0.43 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1qnd h GLU 17 CO 0.05 0.31 0.23 0.87 -0.73 0.00 0.00 179.01 179.74 1qnd h LYS 18 N 0.48 0.46 -0.63 1.92 1.57 0.15 0.21 116.57 120.73 1qnd h LYS 18 Ca 0.25 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1qnd h LYS 18 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1qnd h LYS 18 CO -0.19 0.30 0.07 -0.22 -0.57 0.00 0.00 179.45 178.84 1qnd h LYS 19 N 0.47 1.05 -0.84 3.15 1.63 -1.45 -1.14 116.57 119.44 1qnd h LYS 19 Ca 0.13 -0.29 0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1qnd h LYS 19 Cb -0.04 -0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 31.41 1qnd h LYS 19 CO -0.04 0.98 0.55 -0.07 -3.45 0.00 0.00 179.45 177.42 1qnd h LEU 20 N 0.98 0.75 0.28 5.20 3.38 0.12 0.69 115.31 126.70 1qnd h LEU 20 Ca 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1qnd h LEU 20 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qnd h LEU 20 CO 0.02 0.45 -0.13 -0.33 0.09 0.00 0.00 178.44 178.53 1qnd h GLU 21 N 0.83 -0.36 -0.42 1.13 4.39 -0.21 0.33 114.58 120.27 1qnd h GLU 21 Ca 0.38 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.12 1qnd h GLU 21 Cb 0.39 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1qnd h GLU 21 CO -0.15 -0.10 0.26 0.93 -1.16 0.00 0.00 179.01 178.78 1qnd h GLU 22 N -0.58 0.51 0.00 2.33 5.08 -0.68 -3.41 114.58 117.84 1qnd h GLU 22 Ca -0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 1qnd h GLU 22 Cb 0.42 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.42 1qnd h GLU 22 CO 0.06 0.34 -0.33 -1.91 -1.00 0.00 0.00 179.01 176.18 1qnd n GLU 23 N -4.83 0.68 0.26 2.33 2.13 0.19 -4.99 120.64 116.41 1qnd n GLU 23 Ca 0.01 -1.50 0.15 0.00 0.66 0.00 0.00 57.16 56.48 1qnd n GLU 23 Cb 0.04 -0.95 0.54 0.00 0.27 0.00 0.00 31.44 31.35 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qnd h GLY 24 N 3.26 0.00 0.72 8.31 0.00 -0.33 -3.36 103.07 111.66 1qnd h GLY 24 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.27 1qnd h GLY 24 CO 0.13 0.00 0.54 1.05 0.00 0.00 0.00 176.54 178.27 1qnd h GLU 25 N 0.00 0.71 -0.44 4.80 -0.00 -1.73 0.15 114.58 118.06 1qnd h GLU 25 Ca -0.00 -0.04 -0.14 0.00 -0.00 0.00 0.00 59.36 59.18 1qnd h GLU 25 Cb 0.66 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 1qnd h GLU 25 CO 0.00 0.47 -0.27 0.37 -0.00 0.00 0.00 179.01 179.58 1qnd h GLN 26 N 0.73 0.96 0.00 1.06 4.15 -1.89 -3.09 115.11 117.03 1qnd h GLN 26 Ca 0.40 -0.44 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 1qnd h GLN 26 Cb 0.54 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1qnd h GLN 26 CO -0.16 1.11 -0.38 0.74 -1.93 0.00 0.00 178.83 178.20 1qnd h PHE 27 N 0.81 0.00 -0.20 3.99 0.04 -1.01 -2.57 116.94 118.00 1qnd h PHE 27 Ca 0.09 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1qnd h PHE 27 Cb 0.85 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.95 1qnd h PHE 27 CO 0.05 0.38 -0.12 0.28 -0.60 0.00 0.00 178.31 178.30 1qnd h VAL 28 N 0.00 0.63 -0.78 -0.55 2.07 -1.11 -2.14 116.25 114.36 1qnd h VAL 28 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1qnd h VAL 28 Cb 0.94 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1qnd h VAL 28 CO 0.05 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.26 1qnd h LYS 29 N -0.11 0.91 0.41 1.57 6.56 -1.49 0.09 116.57 124.51 1qnd h LYS 29 Ca 0.12 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1qnd h LYS 29 Cb 0.29 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1qnd h LYS 29 CO -0.27 0.60 -0.19 0.87 -2.06 0.00 0.00 179.45 178.39 1qnd h LYS 30 N 0.94 -0.52 0.08 3.15 1.79 -1.27 -3.37 116.57 117.37 1qnd h LYS 30 Ca 0.31 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1qnd h LYS 30 Cb 0.07 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1qnd h LYS 30 CO -0.09 -0.35 -0.04 0.82 -1.08 0.00 0.00 179.45 178.71 1qnd h ILE 31 N -0.57 0.00 -4.74 1.86 2.04 -1.47 -3.49 117.51 111.15 1qnd h ILE 31 Ca -0.06 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1qnd h ILE 31 Cb 0.42 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1qnd h ILE 31 CO 0.09 0.00 -0.23 0.61 0.00 0.00 0.00 178.15 178.62 1qnd n GLY 32 N 1.12 -0.84 2.26 5.37 0.00 0.02 -5.02 105.19 108.10 1qnd n GLY 32 Ca -0.01 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.46 0.96 3.42 -0.02 0.00 -0.58 -4.90 105.19 102.61 1qnd n GLY 33 Ca -0.02 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.30 3.09 0.19 -0.61 1.09 -1.26 -1.54 121.20 119.86 1qnd s ILE 34 Ca 0.13 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 1qnd s ILE 34 Cb -0.02 -2.26 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 1qnd s ILE 34 CO 0.04 0.56 0.07 0.72 -0.10 0.00 0.00 174.94 176.22 1qnd s PHE 35 N -0.16 1.21 0.00 3.97 -0.71 -0.86 -1.47 117.98 119.96 1qnd s PHE 35 Ca -0.00 -1.20 0.03 0.00 -1.04 0.00 0.00 56.93 54.71 1qnd s PHE 35 Cb -0.13 -0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 41.00 1qnd s PHE 35 CO 0.03 -0.42 -0.08 0.00 -1.34 0.00 0.00 175.22 173.41 1qnd s ALA 36 N -3.90 0.67 -0.59 1.99 0.00 -0.82 0.09 121.76 119.21 1qnd s ALA 36 Ca 0.31 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1qnd s ALA 36 Cb 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1qnd s ALA 36 CO 0.08 0.15 0.94 -0.06 0.00 0.00 0.00 175.76 176.86 1qnd s PHE 37 N -0.32 2.76 -0.79 0.00 0.08 -0.10 -0.68 117.98 118.94 1qnd s PHE 37 Ca 0.02 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.59 1qnd s PHE 37 Cb -0.04 -4.12 -0.00 0.00 -0.57 0.00 0.00 43.02 38.29 1qnd s PHE 37 CO -0.00 -1.44 1.67 0.15 -0.10 0.00 0.00 175.22 175.49 1qnd s LYS 38 N 3.94 2.92 -0.45 0.44 -0.14 0.17 -3.65 119.74 122.98 1qnd s LYS 38 Ca 0.27 -0.13 -0.19 0.00 -1.36 0.00 0.00 55.97 54.56 1qnd s LYS 38 Cb -0.14 -4.68 0.03 0.00 -1.68 0.00 0.00 37.83 31.36 1qnd s LYS 38 CO 0.16 -2.66 0.57 0.08 -0.76 0.00 0.00 175.35 172.74 1qnd s VAL 39 N 7.78 4.93 0.56 3.17 1.01 -0.96 -2.54 120.40 134.35 1qnd s VAL 39 Ca 0.56 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1qnd s VAL 39 Cb -0.08 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.18 1qnd s VAL 39 CO 0.09 -0.59 0.43 -1.59 0.00 0.00 0.00 175.10 173.44 1qnd s LYS 40 N 2.53 2.24 -1.57 2.72 0.00 -1.26 -1.65 119.74 122.76 1qnd s LYS 40 Ca 0.17 -2.03 -0.12 0.00 0.00 0.00 0.00 55.97 53.99 1qnd s LYS 40 Cb -0.16 -2.12 0.09 0.00 0.00 0.00 0.00 37.83 35.64 1qnd s LYS 40 CO 0.15 -0.67 0.77 -3.47 0.00 0.00 0.00 175.35 172.13 1qnd n ASP 41 N -1.82 -3.02 -4.62 0.03 2.03 -1.18 -1.70 116.55 106.27 1qnd n ASP 41 Ca -0.01 -0.93 -0.29 0.00 0.52 0.00 0.00 54.79 54.09 1qnd n ASP 41 Cb 0.64 -3.25 0.20 0.00 -0.72 0.00 0.00 41.12 37.99 1qnd n ASP 41 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1qnd s GLY 42 N -3.59 1.57 -0.76 0.27 0.00 -1.18 -4.21 107.32 99.42 1qnd s GLY 42 Ca 0.52 -0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.77 1qnd s GLY 42 CO 0.88 0.40 2.40 -1.55 0.00 0.00 0.00 173.10 175.23 1qnd n PRO 43 N -4.38 0.58 0.00 2.90 -0.04 -1.26 -0.15 135.00 132.64 1qnd n PRO 43 Ca 0.05 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1qnd n PRO 43 Cb 0.56 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 6.50 0.72 0.00 0.55 0.00 -1.26 -4.71 105.19 106.98 1qnd n GLY 44 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.81 0.98 2.77 -0.02 0.00 0.79 -5.13 105.19 102.76 1qnd n GLY 45 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N 0.00 -0.43 -3.78 1.61 4.01 -1.20 -4.86 118.16 113.50 1qnd n LYS 46 Ca 0.00 -1.70 -0.13 0.00 -0.51 0.00 0.00 58.31 55.97 1qnd n LYS 46 Cb 0.00 -0.73 -0.11 0.00 -0.51 0.00 0.00 35.03 33.67 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1qnd s GLU 47 N -4.72 0.34 0.19 1.97 2.02 -1.26 -3.11 118.70 114.13 1qnd s GLU 47 Ca 0.51 0.34 -0.12 0.00 0.02 0.00 0.00 54.97 55.72 1qnd s GLU 47 Cb -0.02 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1qnd s GLU 47 CO 0.35 -0.05 0.38 0.00 0.02 0.00 0.00 175.26 175.96 1qnd s ALA 48 N 0.05 -0.24 -0.01 5.21 0.00 -0.66 -4.22 121.76 121.89 1qnd s ALA 48 Ca -0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1qnd s ALA 48 Cb -0.02 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1qnd s ALA 48 CO 0.01 -0.73 0.11 0.99 0.00 0.00 0.00 175.76 176.14 1qnd s THR 49 N -3.96 0.07 -0.07 0.00 2.01 -1.26 -2.26 115.64 110.17 1qnd s THR 49 Ca 0.17 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1qnd s THR 49 Cb 0.01 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 1qnd s THR 49 CO 0.02 -0.31 -0.21 0.26 -0.69 0.00 0.00 174.62 173.68 1qnd s TRP 50 N -1.07 2.19 0.33 4.92 0.51 -1.24 -2.83 118.94 121.74 1qnd s TRP 50 Ca -0.12 -0.76 -0.13 0.00 -2.12 0.00 0.00 56.10 52.98 1qnd s TRP 50 Cb -0.06 -1.47 -0.08 0.00 -0.81 0.00 0.00 33.47 31.05 1qnd s TRP 50 CO 0.01 -0.28 0.71 0.08 -0.51 0.00 0.00 176.95 176.95 1qnd s VAL 51 N 0.16 4.76 -0.28 4.03 1.01 -0.71 -0.92 120.40 128.45 1qnd s VAL 51 Ca -0.10 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1qnd s VAL 51 Cb -0.15 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.67 1qnd s VAL 51 CO 0.05 -0.25 0.02 -0.69 0.00 0.00 0.00 175.10 174.23 1qnd s VAL 52 N -2.05 1.46 -0.57 2.92 1.01 0.11 -1.11 120.40 122.17 1qnd s VAL 52 Ca 0.52 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1qnd s VAL 52 Cb -0.10 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1qnd s VAL 52 CO 0.22 -0.39 1.01 -0.62 0.00 0.00 0.00 175.10 175.32 1qnd s ASP 53 N 1.37 6.34 -0.36 3.32 2.15 0.49 -2.03 116.67 127.95 1qnd s ASP 53 Ca 0.03 -0.31 0.14 0.00 0.43 0.00 0.00 52.55 52.84 1qnd s ASP 53 Cb -0.18 -2.46 0.40 0.00 -0.30 0.00 0.00 42.92 40.37 1qnd s ASP 53 CO -0.12 -1.32 0.85 1.33 -0.17 0.00 0.00 175.17 175.74 1qnd n VAL 54 N 6.28 0.58 0.00 1.11 0.24 -0.59 -1.45 118.33 124.50 1qnd n VAL 54 Ca 0.03 -3.97 0.00 0.00 -2.04 0.00 0.00 64.34 58.36 1qnd n VAL 54 Cb 0.48 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 0.08 0.00 -3.29 7.34 0.00 -1.20 -1.52 118.16 119.57 1qnd n LYS 55 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.07 1qnd n LYS 55 Cb 0.72 -0.08 -0.08 0.00 0.00 0.00 0.00 35.03 35.59 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1qnd s ASN 56 N -1.94 6.22 0.08 3.14 0.01 -1.26 -4.94 114.94 116.24 1qnd s ASN 56 Ca 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1qnd s ASN 56 Cb 0.00 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1qnd s ASN 56 CO 0.00 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 1qnd n GLY 57 N 5.09 -0.67 0.01 0.66 0.00 -1.26 -3.79 105.19 105.23 1qnd n GLY 57 Ca -0.06 -1.15 0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.48 0.00 1.61 4.01 -1.26 -4.87 118.16 118.12 1qnd n LYS 58 Ca 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 1qnd n LYS 58 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qnd n GLY 59 N 1.28 -1.13 3.62 0.72 0.00 -1.25 -2.67 105.19 105.77 1qnd n GLY 59 Ca 0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.59 -0.16 -0.51 1.61 0.01 -0.53 -4.65 113.70 106.88 1qnd s SER 60 Ca 0.00 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1qnd s SER 60 Cb 0.00 0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.64 1qnd s SER 60 CO 0.00 -0.48 0.27 -0.69 0.41 0.00 0.00 173.24 172.75 1qnd s VAL 61 N -2.75 2.26 -0.57 3.43 1.01 -1.26 -0.38 120.40 122.15 1qnd s VAL 61 Ca 0.11 -3.19 -0.27 0.00 0.00 0.00 0.00 61.98 58.62 1qnd s VAL 61 Cb 0.01 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1qnd s VAL 61 CO -0.04 -0.85 1.59 -0.76 0.00 0.00 0.00 175.10 175.04 1qnd s LEU 62 N -0.21 3.36 0.38 3.92 1.43 -0.27 -4.80 118.68 122.49 1qnd s LEU 62 Ca 0.18 0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 1qnd s LEU 62 Cb -0.23 -2.90 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 1qnd s LEU 62 CO -0.02 -1.93 1.14 -2.16 0.23 0.00 0.00 176.35 173.61 1qnd s PRO 63 N 6.02 4.16 -0.80 1.29 0.04 -1.26 -1.73 135.00 142.73 1qnd s PRO 63 Ca 0.58 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1qnd s PRO 63 Cb -0.12 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1qnd s PRO 63 CO 0.24 -0.20 0.00 0.09 0.04 0.00 0.00 177.00 177.16 1qnd n ASN 64 N 0.21 -2.42 -4.81 6.66 3.02 -1.13 -4.82 115.26 111.97 1qnd n ASN 64 Ca 0.04 0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 1qnd n ASN 64 Cb 0.47 -2.31 -0.06 0.00 -0.61 0.00 0.00 39.78 37.26 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 -1.81 6.82 0.00 6.41 0.15 -1.23 -4.94 113.70 119.10 1qnd s SER 65 Ca 0.00 1.78 0.29 0.00 0.70 0.00 0.00 55.95 58.72 1qnd s SER 65 Cb 0.00 -2.55 1.28 0.00 -1.71 0.00 0.00 66.02 63.04 1qnd s SER 65 CO 0.00 -0.44 1.88 -0.67 1.20 0.00 0.00 173.24 175.21 1qnd n ASP 66 N -0.57 0.70 -4.69 5.45 2.03 -1.26 -4.77 116.55 113.44 1qnd n ASP 66 Ca 0.07 -0.94 -0.44 0.00 0.52 0.00 0.00 54.79 53.99 1qnd n ASP 66 Cb 0.53 -0.02 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 1qnd n ASP 66 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qnd n LYS 67 N -0.63 2.39 -0.90 -0.67 4.76 -1.26 -5.01 118.16 116.84 1qnd n LYS 67 Ca 0.18 0.86 -0.22 0.00 -2.87 0.00 0.00 58.31 56.25 1qnd n LYS 67 Cb 0.27 -2.65 0.18 0.00 -1.84 0.00 0.00 35.03 30.99 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1qnd n LYS 68 N 3.45 -2.28 -4.23 1.97 2.85 -1.26 -4.99 118.16 113.67 1qnd n LYS 68 Ca 0.16 -1.34 -0.14 0.00 -1.05 0.00 0.00 58.31 55.94 1qnd n LYS 68 Cb 0.31 -1.18 -0.10 0.00 -0.65 0.00 0.00 35.03 33.42 1qnd n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qnd s ALA 69 N -3.20 1.35 0.21 0.58 0.00 -1.26 -4.99 121.76 114.45 1qnd s ALA 69 Ca 0.53 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1qnd s ALA 69 Cb -0.04 0.06 0.16 0.00 0.00 0.00 0.00 23.12 23.29 1qnd s ALA 69 CO 0.40 -0.10 1.54 -0.44 0.00 0.00 0.00 175.76 177.16 1qnd h ASP 70 N 2.91 0.59 -0.98 0.00 5.19 -1.61 -3.47 116.42 119.04 1qnd h ASP 70 Ca -0.37 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 55.75 1qnd h ASP 70 Cb 1.19 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1qnd h ASP 70 CO 0.62 0.99 0.00 0.00 -3.12 0.00 0.00 179.24 177.73 1qnd n THR 72 N 0.00 0.00 -3.87 0.00 -1.04 -1.26 -1.95 114.28 106.16 1qnd n THR 72 Ca 0.00 -1.65 -0.11 0.00 -2.04 0.00 0.00 64.05 60.24 1qnd n THR 72 Cb 0.00 0.66 -0.12 0.00 -1.82 0.00 0.00 70.33 69.05 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 -2.70 0.03 0.13 12.58 2.07 0.14 -3.75 121.20 129.71 1qnd s ILE 73 Ca 0.18 -0.28 -0.25 0.00 -1.41 0.00 0.00 60.65 58.89 1qnd s ILE 73 Cb 0.01 -0.21 -0.07 0.00 0.13 0.00 0.00 42.46 42.32 1qnd s ILE 73 CO 0.13 -0.16 0.76 -0.89 -1.91 0.00 0.00 174.94 172.87 1qnd s THR 74 N -0.48 4.47 0.21 4.00 2.01 -1.26 -0.65 115.64 123.94 1qnd s THR 74 Ca -0.05 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1qnd s THR 74 Cb -0.04 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1qnd s THR 74 CO 0.00 0.49 0.00 0.80 -0.69 0.00 0.00 174.62 175.23 1qnd n MET 75 N 1.84 0.00 0.00 4.92 1.56 -1.05 -4.50 117.12 119.89 1qnd n MET 75 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 1qnd n MET 75 Cb 0.49 -0.10 0.00 0.00 2.15 0.00 0.00 33.22 35.77 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1qnd n ALA 76 N -3.31 -0.04 -0.02 -5.12 0.00 -1.22 -4.79 120.51 106.00 1qnd n ALA 76 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1qnd n ALA 76 Cb 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 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 0.15 0.17 0.00 3.58 -1.50 -0.14 116.42 118.69 1qnd h ASP 77 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1qnd h ASP 77 Cb 0.00 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1qnd h ASP 77 CO 0.00 0.32 0.00 -1.54 -2.88 0.00 0.00 179.24 175.14 1qnd n SER 78 N -4.89 0.00 -0.10 2.28 3.41 -1.26 0.08 113.62 113.14 1qnd n SER 78 Ca -0.06 0.12 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 1qnd n SER 78 Cb 0.14 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qnd n ASP 79 N -1.27 1.63 0.04 4.04 -0.08 -1.05 -4.34 116.55 115.52 1qnd n ASP 79 Ca 0.05 0.17 -0.10 0.00 -1.51 0.00 0.00 54.79 53.39 1qnd n ASP 79 Cb 0.07 -0.51 -0.04 0.00 2.34 0.00 0.00 41.12 42.98 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1qnd h PHE 80 N -0.55 -0.39 -0.86 -0.67 0.04 -0.22 0.02 116.94 114.31 1qnd h PHE 80 Ca -0.48 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.41 1qnd h PHE 80 Cb 1.48 0.18 -0.08 0.00 2.20 0.00 0.00 35.95 39.73 1qnd h PHE 80 CO -0.05 -0.22 0.51 1.25 -0.60 0.00 0.00 178.31 179.20 1qnd h LEU 81 N -0.23 0.73 -0.84 1.54 5.85 -0.60 -2.30 115.31 119.46 1qnd h LEU 81 Ca 0.06 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1qnd h LEU 81 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qnd h LEU 81 CO -0.17 0.41 -0.24 0.00 -0.34 0.00 0.00 178.44 178.10 1qnd h ALA 82 N 1.47 1.01 -1.84 1.25 0.00 -1.55 -3.38 119.26 116.22 1qnd h ALA 82 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qnd h ALA 82 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qnd h ALA 82 CO -0.25 0.59 0.00 -0.11 0.00 0.00 0.00 179.25 179.48 1qnd n LEU 83 N -4.12 0.79 -2.62 0.00 7.94 -0.06 -2.28 117.00 116.65 1qnd n LEU 83 Ca -0.00 0.48 -0.20 0.00 -1.11 0.00 0.00 56.01 55.17 1qnd n LEU 83 Cb 0.42 -0.19 -0.09 0.00 0.53 0.00 0.00 43.42 44.08 1qnd n LEU 83 CO 0.43 -0.19 2.15 1.15 -1.11 0.00 0.00 177.39 179.82 1qnd n MET 84 N -1.08 2.32 0.00 1.96 0.00 -0.99 -2.97 117.12 116.36 1qnd n MET 84 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 57.70 56.37 1qnd n MET 84 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 30.96 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 3.14 0.00 0.00 3.17 -2.24 -1.26 -4.79 114.28 112.30 1qnd n THR 85 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1qnd n THR 85 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.45 0.76 0.34 3.38 0.00 -1.16 -4.16 105.19 103.89 1qnd n GLY 86 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.34 -4.11 1.61 4.81 -0.97 -5.06 118.16 114.79 1qnd n LYS 87 Ca 0.00 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 1qnd n LYS 87 Cb 0.00 -1.15 -0.05 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.29 1.81 0.66 1.64 -1.94 -1.26 -5.11 119.30 112.82 1qnd s MET 88 Ca -0.21 -1.73 -0.17 0.00 -1.71 0.00 0.00 55.69 51.87 1qnd s MET 88 Cb 0.07 0.42 0.00 0.00 2.01 0.00 0.00 34.83 37.33 1qnd s MET 88 CO 0.30 -0.73 1.23 0.54 -0.01 0.00 0.00 175.02 176.35 1qnd s ASN 89 N -3.23 4.62 0.69 3.03 2.20 -1.26 -4.97 114.94 116.03 1qnd s ASN 89 Ca 0.31 2.44 -0.11 0.00 -0.94 0.00 0.00 52.86 54.56 1qnd s ASN 89 Cb 0.00 -2.60 0.01 0.00 -2.00 0.00 0.00 41.25 36.66 1qnd s ASN 89 CO 0.19 -1.98 1.08 -2.16 -2.94 0.00 0.00 177.10 171.30 1qnd s PRO 90 N -3.59 2.95 -0.42 3.55 0.04 -1.26 -4.54 135.00 131.73 1qnd s PRO 90 Ca 0.78 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1qnd s PRO 90 Cb -0.32 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1qnd s PRO 90 CO 0.40 -0.97 0.55 1.04 0.04 0.00 0.00 177.00 178.06 1qnd n GLN 91 N -2.96 -2.47 -0.34 4.56 6.02 -1.26 -4.85 117.38 116.07 1qnd n GLN 91 Ca 0.07 2.17 0.00 0.00 -0.01 0.00 0.00 57.00 59.23 1qnd n GLN 91 Cb 0.57 -5.60 0.06 0.00 1.02 0.00 0.00 30.24 26.29 1qnd n GLN 91 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1qnd h SER 92 N 2.09 -1.23 0.25 1.08 0.02 -1.93 0.11 113.55 113.95 1qnd h SER 92 Ca -0.01 0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1qnd h SER 92 Cb 0.92 0.68 -0.00 0.00 0.14 0.00 0.00 62.40 64.14 1qnd h SER 92 CO 0.19 -0.30 -0.07 0.00 -1.14 0.00 0.00 176.83 175.52 1qnd h ALA 93 N 1.48 1.31 -0.62 3.77 0.00 -1.93 -0.24 119.26 123.03 1qnd h ALA 93 Ca 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 1qnd h ALA 93 Cb 0.62 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qnd h ALA 93 CO -0.94 0.08 0.11 0.35 0.00 0.00 0.00 179.25 178.86 1qnd h PHE 94 N 0.00 1.04 0.00 0.00 3.04 -1.30 -2.61 116.94 117.12 1qnd h PHE 94 Ca -0.00 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.82 1qnd h PHE 94 Cb 0.21 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1qnd h PHE 94 CO 0.00 0.88 0.00 0.34 -2.02 0.00 0.00 178.31 177.51 1qnd n PHE 95 N -4.23 0.00 0.30 0.41 7.35 -0.70 -4.61 117.46 115.98 1qnd n PHE 95 Ca 0.04 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.89 1qnd n PHE 95 Cb 0.27 -0.09 0.62 0.00 0.35 0.00 0.00 39.48 40.63 1qnd n PHE 95 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1qnd h GLN 96 N 0.00 0.00 -5.88 -4.13 3.07 -1.14 -3.47 115.11 103.57 1qnd h GLN 96 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 1qnd h GLN 96 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.67 1qnd h GLN 96 CO 0.00 0.00 -0.79 0.41 0.09 0.00 0.00 178.83 178.54 1qnd n GLY 97 N 0.10 -0.34 2.75 0.06 0.00 -0.98 -4.93 105.19 101.85 1qnd n GLY 97 Ca 0.01 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.24 4.11 -3.18 1.61 5.02 -1.26 -4.98 118.16 115.23 1qnd n LYS 98 Ca -0.27 -4.35 -0.20 0.00 -2.02 0.00 0.00 58.31 51.47 1qnd n LYS 98 Cb 0.67 -2.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.33 1qnd n LYS 98 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1qnd n LEU 99 N -0.27 -1.35 -4.68 -0.35 7.94 -1.26 -4.68 117.00 112.34 1qnd n LEU 99 Ca 0.46 -0.50 -0.29 0.00 -1.11 0.00 0.00 56.01 54.56 1qnd n LEU 99 Cb 0.31 -1.08 0.16 0.00 0.53 0.00 0.00 43.42 43.35 1qnd n LEU 99 CO 0.47 0.20 0.64 -1.59 -1.11 0.00 0.00 177.39 176.00 1qnd s LYS 100 N -3.30 0.77 0.16 1.96 0.00 -1.26 -4.22 119.74 113.86 1qnd s LYS 100 Ca 0.08 0.76 0.06 0.00 0.00 0.00 0.00 55.97 56.87 1qnd s LYS 100 Cb -0.01 -1.76 -0.04 0.00 0.00 0.00 0.00 37.83 36.02 1qnd s LYS 100 CO 0.60 -2.56 -0.12 0.42 0.00 0.00 0.00 175.35 173.70 1qnd s ILE 101 N -2.88 1.36 0.00 3.79 1.09 -1.26 -4.82 121.20 118.48 1qnd s ILE 101 Ca 0.65 -2.08 0.00 0.00 -1.10 0.00 0.00 60.65 58.11 1qnd s ILE 101 Cb -0.19 -1.88 0.00 0.00 -1.06 0.00 0.00 42.46 39.33 1qnd s ILE 101 CO 0.58 -0.67 0.00 0.35 -0.10 0.00 0.00 174.94 175.10 1qnd n THR 102 N -0.20 0.00 0.00 2.92 -2.24 -1.25 -4.49 114.28 109.03 1qnd n THR 102 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1qnd n THR 102 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N 0.00 0.02 4.15 3.38 0.00 -1.26 -5.10 105.19 106.38 1qnd n GLY 103 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1qnd n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 104 N 0.00 -4.51 -4.58 1.61 5.15 -1.26 -1.19 115.26 110.47 1qnd n ASN 104 Ca 0.00 0.46 -0.32 0.00 -0.60 0.00 0.00 54.58 54.12 1qnd n ASN 104 Cb 0.00 -1.38 -0.04 0.00 -0.53 0.00 0.00 39.78 37.83 1qnd n ASN 104 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1qnd s MET 105 N -0.83 2.89 -0.67 1.20 0.00 -1.26 -4.32 119.30 116.30 1qnd s MET 105 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 55.69 54.27 1qnd s MET 105 Cb 0.00 -5.31 0.01 0.00 0.00 0.00 0.00 34.83 29.53 1qnd s MET 105 CO 0.00 -3.50 0.65 0.41 0.00 0.00 0.00 175.02 172.58 1qnd n GLY 106 N 5.77 -1.05 0.33 2.11 0.00 -1.24 -4.91 105.19 106.20 1qnd n GLY 106 Ca 0.45 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 47.16 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 0.72 1.07 0.69 0.99 -0.00 -1.34 -3.34 115.31 114.10 1qnd h LEU 107 Ca -0.31 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.32 1qnd h LEU 107 Cb 1.21 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1qnd h LEU 107 CO 0.30 1.00 -0.42 0.00 -0.00 0.00 0.00 178.44 179.32 1qnd h ALA 108 N 1.11 -1.23 0.00 0.17 0.00 -1.91 -3.38 119.26 114.02 1qnd h ALA 108 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qnd h ALA 108 Cb 0.33 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qnd h ALA 108 CO -0.00 -1.19 0.00 -1.33 0.00 0.00 0.00 179.25 176.73 1qnd n MET 109 N -5.10 0.00 -0.02 0.00 2.81 -1.25 -0.68 117.12 112.87 1qnd n MET 109 Ca -0.13 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.63 1qnd n MET 109 Cb 0.43 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.84 1qnd n MET 109 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1qnd h LYS 110 N 0.00 0.04 0.00 0.03 3.64 -1.89 -3.46 116.57 114.93 1qnd h LYS 110 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1qnd h LYS 110 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1qnd h LYS 110 CO 0.00 0.58 0.00 1.47 -2.27 0.00 0.00 179.45 179.23 1qnd n LEU 111 N -4.79 0.00 0.00 5.20 -0.00 0.14 -4.72 117.00 112.83 1qnd n LEU 111 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1qnd n LEU 111 Cb 0.29 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1qnd n LEU 111 CO 0.34 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.40 1qnd n GLN 112 N 0.43 0.00 0.00 1.47 7.27 -1.26 -3.83 117.38 121.46 1qnd n GLN 112 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.15 1qnd n GLN 112 Cb 0.00 -0.06 0.42 0.00 2.41 0.00 0.00 30.24 33.01 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qnd n ASN 113 N -0.22 0.00 0.24 1.69 3.02 -1.26 -0.77 115.26 117.95 1qnd n ASN 113 Ca 0.00 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.55 1qnd n ASN 113 Cb 0.00 -0.19 0.43 0.00 -0.61 0.00 0.00 39.78 39.41 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1qnd h LEU 114 N 0.00 0.00 -5.28 3.41 5.85 -1.92 -3.39 115.31 113.98 1qnd h LEU 114 Ca 0.00 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 1qnd h LEU 114 Cb 0.10 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 40.75 1qnd h LEU 114 CO 0.00 0.11 -1.13 0.00 -0.34 0.00 0.00 178.44 177.08 1qnd n GLN 115 N -3.19 1.09 -0.10 1.25 6.02 0.05 -4.31 117.38 118.20 1qnd n GLN 115 Ca 0.01 -3.16 0.01 0.00 -0.01 0.00 0.00 57.00 53.86 1qnd n GLN 115 Cb 0.44 -1.29 -0.00 0.00 1.02 0.00 0.00 30.24 30.40 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1qnd n LEU 116 N 0.01 0.00 -4.09 1.08 -0.00 -1.21 -4.71 117.00 108.09 1qnd n LEU 116 Ca 0.13 0.10 -0.10 0.00 -0.00 0.00 0.00 56.01 56.14 1qnd n LEU 116 Cb 0.77 -0.43 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1qnd n LEU 116 CO 0.22 -0.38 -0.20 -1.10 -0.00 0.00 0.00 177.39 175.94 1qnd s GLN 117 N -0.43 1.02 0.08 1.47 -0.21 -1.26 -4.48 119.66 115.86 1qnd s GLN 117 Ca 0.00 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.00 1qnd s GLN 117 Cb 0.00 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.32 1qnd s GLN 117 CO 0.00 -0.32 0.09 -0.35 -2.12 0.00 0.00 175.29 172.59 1qnd n PRO 118 N -0.14 -0.56 0.00 2.91 -0.04 -1.26 -4.61 135.00 131.29 1qnd n PRO 118 Ca -0.06 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1qnd n PRO 118 Cb 0.64 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1qnd n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 119 N 3.31 0.91 3.08 0.55 0.00 -1.26 -4.95 105.19 106.82 1qnd n GLY 119 Ca 0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 1qnd n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 120 N 2.54 -7.30 -4.56 1.61 5.15 -1.26 -4.88 115.26 106.57 1qnd n ASN 120 Ca 0.00 0.16 -0.39 0.00 -0.60 0.00 0.00 54.58 53.75 1qnd n ASN 120 Cb 0.00 -4.50 -0.03 0.00 -0.53 0.00 0.00 39.78 34.72 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qnd s ALA 121 N -2.55 2.33 -0.15 5.20 0.00 -1.26 -4.90 121.76 120.43 1qnd s ALA 121 Ca 0.19 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 1qnd s ALA 121 Cb -0.04 -4.25 0.05 0.00 0.00 0.00 0.00 23.12 18.88 1qnd s ALA 121 CO 0.79 -3.65 0.56 0.21 0.00 0.00 0.00 175.76 173.67 1qnd s LYS 122 N 6.69 0.76 0.00 0.00 2.20 -1.26 -5.33 119.74 122.80 1qnd s LYS 122 Ca 0.65 0.54 0.32 0.00 -0.36 0.00 0.00 55.97 57.12 1qnd s LYS 122 Cb -0.13 0.36 1.84 0.00 -1.51 0.00 0.00 37.83 38.39 1qnd s LYS 122 CO 0.22 -0.15 2.19 1.28 -0.36 0.00 0.00 175.35 178.53