#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 -2.26 6.43 2.88 -1.26 -3.98 113.62 115.43 1qnd n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qnd n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qnd n ALA 3 N 0.00 -2.06 0.00 -1.46 0.00 -1.17 -5.01 120.51 110.82 1qnd n ALA 3 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1qnd n ALA 3 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1qnd n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qnd n SER 4 N 1.76 0.00 -2.90 0.00 7.64 -1.15 -4.94 113.62 114.03 1qnd n SER 4 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1qnd n SER 4 Cb 0.00 0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qnd n ASP 5 N -2.01 -5.88 -2.69 6.43 8.00 -1.26 -4.77 116.55 114.38 1qnd n ASP 5 Ca 0.00 -0.23 -0.02 0.00 0.71 0.00 0.00 54.79 55.26 1qnd n ASP 5 Cb 0.00 -4.79 0.11 0.00 -0.02 0.00 0.00 41.12 36.42 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 -1.38 1.96 3.96 0.44 0.00 -1.26 -4.93 105.19 103.98 1qnd n GLY 6 Ca -0.14 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1qnd n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qnd s PHE 7 N -0.91 1.59 0.33 1.61 0.08 -1.26 -4.95 117.98 114.47 1qnd s PHE 7 Ca 0.14 0.04 0.31 0.00 0.12 0.00 0.00 56.93 57.54 1qnd s PHE 7 Cb 0.41 -3.59 1.51 0.00 -0.57 0.00 0.00 43.02 40.78 1qnd s PHE 7 CO -0.10 -2.21 2.06 -0.22 -0.10 0.00 0.00 175.22 174.65 1qnd h LYS 8 N -1.12 0.00 0.00 0.44 3.64 -2.00 -1.44 116.57 116.09 1qnd h LYS 8 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1qnd h LYS 8 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1qnd h LYS 8 CO 0.39 0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 1qnd n ALA 9 N -2.19 1.32 -0.08 5.00 0.00 -1.26 -3.71 120.51 119.60 1qnd n ALA 9 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1qnd n ALA 9 Cb 0.26 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.28 0.17 0.00 -0.73 -1.62 -1.65 115.58 112.04 1qnd h ASN 10 Ca 0.00 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 1qnd h ASN 10 Cb 0.02 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 1qnd h ASN 10 CO 0.00 0.21 -0.40 0.17 -0.37 0.00 0.00 177.43 177.03 1qnd h LEU 11 N 0.35 0.32 0.21 0.34 -0.00 -1.83 -3.23 115.31 111.48 1qnd h LEU 11 Ca 0.11 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1qnd h LEU 11 Cb -0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.55 1qnd h LEU 11 CO -0.05 0.69 -0.17 0.58 -0.00 0.00 0.00 178.44 179.49 1qnd h VAL 12 N 0.26 0.62 0.00 0.15 2.07 -1.62 -2.74 116.25 114.98 1qnd h VAL 12 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1qnd h VAL 12 Cb 0.82 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1qnd h VAL 12 CO 0.07 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.32 1qnd h PHE 13 N -0.40 0.00 0.00 1.57 0.04 -1.33 -1.80 116.94 115.01 1qnd h PHE 13 Ca -0.01 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1qnd h PHE 13 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1qnd h PHE 13 CO -0.12 0.07 -0.50 -0.22 -0.60 0.00 0.00 178.31 176.94 1qnd h LYS 14 N 0.00 0.00 -0.91 1.51 3.64 -1.53 -2.83 116.57 116.44 1qnd h LYS 14 Ca -0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1qnd h LYS 14 Cb 0.43 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1qnd h LYS 14 CO 0.01 0.50 0.58 0.93 -2.27 0.00 0.00 179.45 179.19 1qnd h GLU 15 N 0.00 1.01 -0.21 1.90 4.39 -1.11 0.46 114.58 121.03 1qnd h GLU 15 Ca -0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1qnd h GLU 15 Cb 1.15 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1qnd h GLU 15 CO 0.06 0.67 0.11 0.82 -1.16 0.00 0.00 179.01 179.52 1qnd h ILE 16 N 1.04 1.11 0.09 3.13 2.04 -1.57 -1.28 117.51 122.07 1qnd h ILE 16 Ca 0.40 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1qnd h ILE 16 Cb 0.18 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1qnd h ILE 16 CO -0.18 0.11 -0.07 -0.08 0.00 0.00 0.00 178.15 177.93 1qnd h GLU 17 N 0.22 -0.17 -0.30 2.37 4.81 -1.16 -2.06 114.58 118.29 1qnd h GLU 17 Ca 0.07 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1qnd h GLU 17 Cb 0.07 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1qnd h GLU 17 CO -0.01 -0.11 -0.12 -0.22 -0.73 0.00 0.00 179.01 177.81 1qnd h LYS 18 N -0.17 -0.07 -0.44 1.92 3.11 0.10 0.28 116.57 121.29 1qnd h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1qnd h LYS 18 Cb 0.16 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1qnd h LYS 18 CO -0.01 -0.05 0.29 -0.22 -2.81 0.00 0.00 179.45 176.65 1qnd h LYS 19 N -0.07 0.58 -0.01 1.90 1.63 -1.19 -1.76 116.57 117.64 1qnd h LYS 19 Ca 0.15 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.73 1qnd h LYS 19 Cb 0.30 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1qnd h LYS 19 CO -0.35 0.39 -0.81 -0.07 -3.45 0.00 0.00 179.45 175.17 1qnd h LEU 20 N 0.60 0.24 0.32 5.20 4.07 0.09 -1.60 115.31 124.24 1qnd h LEU 20 Ca 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1qnd h LEU 20 Cb -0.06 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1qnd h LEU 20 CO -0.03 0.95 -0.16 -0.33 -1.08 0.00 0.00 178.44 177.79 1qnd h GLU 21 N 0.12 -0.42 -0.35 1.13 4.39 -0.21 -0.59 114.58 118.65 1qnd h GLU 21 Ca -0.03 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1qnd h GLU 21 Cb 1.41 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1qnd h GLU 21 CO 0.12 -0.18 0.16 0.93 -1.16 0.00 0.00 179.01 178.88 1qnd h GLU 22 N -0.60 0.51 -0.05 2.33 5.08 -1.38 -3.40 114.58 117.07 1qnd h GLU 22 Ca -0.04 -0.08 -0.24 0.00 -1.00 0.00 0.00 59.36 57.99 1qnd h GLU 22 Cb 0.44 -0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.44 1qnd h GLU 22 CO 0.07 0.48 -0.45 -1.91 -1.00 0.00 0.00 179.01 176.21 1qnd n GLU 23 N -4.72 1.05 0.18 2.33 4.07 -0.60 -4.95 120.64 118.01 1qnd n GLU 23 Ca -0.01 -1.95 0.07 0.00 -0.06 0.00 0.00 57.16 55.21 1qnd n GLU 23 Cb 0.12 -0.86 0.17 0.00 -0.06 0.00 0.00 31.44 30.81 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1qnd h GLY 24 N 2.81 0.00 0.94 8.31 0.00 -1.13 -3.39 103.07 110.62 1qnd h GLY 24 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1qnd h GLY 24 CO 0.10 0.00 0.46 0.83 0.00 0.00 0.00 176.54 177.93 1qnd h GLU 25 N 0.00 0.89 -0.13 4.80 5.08 -1.81 0.11 114.58 123.51 1qnd h GLU 25 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1qnd h GLU 25 Cb 1.13 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1qnd h GLU 25 CO 0.04 0.59 -0.30 0.37 -1.00 0.00 0.00 179.01 178.71 1qnd h GLN 26 N 0.91 0.25 -0.01 2.33 4.15 -1.89 -3.17 115.11 117.69 1qnd h GLN 26 Ca 0.27 -0.09 -0.21 0.00 0.77 0.00 0.00 58.65 59.39 1qnd h GLN 26 Cb -0.05 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1qnd h GLN 26 CO -0.08 0.53 -0.88 0.74 -1.93 0.00 0.00 178.83 177.21 1qnd h PHE 27 N 0.22 0.46 -0.50 3.99 -1.00 -1.07 -2.02 116.94 117.02 1qnd h PHE 27 Ca 0.03 -0.25 0.10 0.00 2.81 0.00 0.00 57.97 60.67 1qnd h PHE 27 Cb 0.64 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 40.06 1qnd h PHE 27 CO 0.01 1.05 -0.02 0.28 -1.61 0.00 0.00 178.31 178.03 1qnd h VAL 28 N 0.18 0.59 0.00 -0.55 2.07 -1.00 -0.60 116.25 116.94 1qnd h VAL 28 Ca -0.06 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1qnd h VAL 28 Cb 1.51 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1qnd h VAL 28 CO 0.14 0.02 0.00 0.29 0.02 0.00 0.00 177.57 178.04 1qnd n LYS 29 N -5.25 0.03 0.01 1.57 4.76 -0.80 -0.28 118.16 118.20 1qnd n LYS 29 Ca 0.05 0.25 -0.09 0.00 -2.87 0.00 0.00 58.31 55.66 1qnd n LYS 29 Cb 0.27 -1.55 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 1qnd n LYS 29 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1qnd h LYS 30 N 0.00 0.02 0.00 1.97 1.57 -0.62 -3.43 116.57 116.08 1qnd h LYS 30 Ca 0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1qnd h LYS 30 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1qnd h LYS 30 CO 0.00 0.73 -0.88 -0.89 -0.57 0.00 0.00 179.45 177.84 1qnd n ILE 31 N -3.19 0.73 -2.83 1.86 -0.00 -1.04 -4.71 119.36 110.19 1qnd n ILE 31 Ca -0.11 0.09 -0.11 0.00 -0.00 0.00 0.00 62.75 62.62 1qnd n ILE 31 Cb 1.01 -1.66 0.05 0.00 -0.00 0.00 0.00 39.64 39.05 1qnd n ILE 31 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qnd n GLY 32 N 2.79 -0.44 0.47 7.39 0.00 0.62 -4.93 105.19 111.08 1qnd n GLY 32 Ca -0.08 0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.25 0.90 3.28 -0.02 0.00 -0.70 -4.83 105.19 102.58 1qnd n GLY 33 Ca -0.10 -0.90 -0.34 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 -2.32 2.84 0.45 -0.61 1.09 -1.26 -0.62 121.20 120.77 1qnd s ILE 34 Ca 0.03 -0.70 0.04 0.00 -1.10 0.00 0.00 60.65 58.92 1qnd s ILE 34 Cb -0.00 -2.22 -0.05 0.00 -1.06 0.00 0.00 42.46 39.13 1qnd s ILE 34 CO 0.00 0.50 0.01 0.72 -0.10 0.00 0.00 174.94 176.08 1qnd s PHE 35 N 0.92 2.19 0.02 3.97 -0.71 -0.84 -0.71 117.98 122.82 1qnd s PHE 35 Ca -0.03 -0.83 0.05 0.00 -1.04 0.00 0.00 56.93 55.08 1qnd s PHE 35 Cb -0.15 -1.65 -0.02 0.00 -1.21 0.00 0.00 43.02 39.99 1qnd s PHE 35 CO -0.01 0.30 -0.16 0.00 -1.34 0.00 0.00 175.22 174.01 1qnd s ALA 36 N -2.84 1.32 -0.90 1.99 0.00 -1.13 -0.71 121.76 119.49 1qnd s ALA 36 Ca 0.23 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 1qnd s ALA 36 Cb 0.06 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 23.02 1qnd s ALA 36 CO 0.12 0.30 1.14 -0.06 0.00 0.00 0.00 175.76 177.25 1qnd s PHE 37 N -0.60 2.99 -0.99 0.00 0.08 -0.61 -1.63 117.98 117.22 1qnd s PHE 37 Ca 0.05 -1.20 -0.23 0.00 0.12 0.00 0.00 56.93 55.66 1qnd s PHE 37 Cb -0.07 -4.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.05 1qnd s PHE 37 CO 0.00 -1.56 1.71 0.21 -0.10 0.00 0.00 175.22 175.48 1qnd s LYS 38 N 3.14 3.09 -0.22 0.44 2.47 -0.18 -3.90 119.74 124.58 1qnd s LYS 38 Ca 0.32 -0.79 -0.17 0.00 -1.56 0.00 0.00 55.97 53.78 1qnd s LYS 38 Cb -0.06 -5.23 -0.04 0.00 -1.46 0.00 0.00 37.83 31.05 1qnd s LYS 38 CO -0.07 -2.83 0.44 0.08 0.16 0.00 0.00 175.35 173.14 1qnd s VAL 39 N 7.54 5.15 0.48 4.02 1.01 -1.04 -3.66 120.40 133.89 1qnd s VAL 39 Ca 0.58 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1qnd s VAL 39 Cb -0.03 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1qnd s VAL 39 CO -0.04 0.19 0.15 -1.59 0.00 0.00 0.00 175.10 173.82 1qnd s LYS 40 N 1.66 2.19 -1.02 2.72 -2.85 -1.26 -0.93 119.74 120.25 1qnd s LYS 40 Ca 0.20 -2.11 -0.06 0.00 -1.00 0.00 0.00 55.97 53.00 1qnd s LYS 40 Cb -0.15 -1.81 -0.06 0.00 -2.06 0.00 0.00 37.83 33.75 1qnd s LYS 40 CO 0.09 -0.31 0.89 -3.47 0.10 0.00 0.00 175.35 172.65 1qnd n ASP 41 N -1.34 -6.73 0.00 0.03 2.03 -1.09 -0.51 116.55 108.94 1qnd n ASP 41 Ca -0.08 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1qnd n ASP 41 Cb 0.66 -5.15 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 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 -1.31 5.72 0.00 0.27 0.00 -1.26 -3.88 105.19 104.72 1qnd n GLY 42 Ca -0.06 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.14 1qnd n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qnd n PRO 43 N 0.00 0.38 0.00 1.61 -0.04 -1.26 -2.02 135.00 133.67 1qnd n PRO 43 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1qnd n PRO 43 Cb 0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.17 0.00 0.00 0.55 0.00 -1.26 -5.06 105.19 99.26 1qnd n GLY 44 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.70 1.34 1.86 -0.02 0.00 -0.86 -5.06 105.19 105.15 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 0.00 -3.37 -4.36 1.61 5.02 -1.26 -2.96 118.16 112.83 1qnd n LYS 46 Ca 0.00 -0.87 -0.22 0.00 -2.02 0.00 0.00 58.31 55.19 1qnd n LYS 46 Cb 0.00 -1.06 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qnd s GLU 47 N -4.25 1.07 0.22 1.97 8.01 -1.26 -2.68 118.70 121.79 1qnd s GLU 47 Ca 0.39 -0.96 0.00 0.00 0.01 0.00 0.00 54.97 54.41 1qnd s GLU 47 Cb -0.06 -1.18 -0.04 0.00 -4.31 0.00 0.00 34.13 28.53 1qnd s GLU 47 CO 0.32 0.29 0.13 0.00 0.01 0.00 0.00 175.26 176.01 1qnd s ALA 48 N -1.01 1.34 -0.05 5.21 0.00 -0.11 -2.94 121.76 124.20 1qnd s ALA 48 Ca 0.04 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 50.00 1qnd s ALA 48 Cb -0.09 1.33 0.05 0.00 0.00 0.00 0.00 23.12 24.41 1qnd s ALA 48 CO 0.02 -0.57 0.54 0.99 0.00 0.00 0.00 175.76 176.74 1qnd s THR 49 N -4.02 0.02 -0.07 0.00 2.01 -1.26 -2.51 115.64 109.80 1qnd s THR 49 Ca 0.39 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1qnd s THR 49 Cb 0.07 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1qnd s THR 49 CO 0.13 -0.10 -0.24 0.26 -0.69 0.00 0.00 174.62 173.99 1qnd s TRP 50 N -1.16 2.41 0.12 4.92 0.51 -1.25 -4.19 118.94 120.31 1qnd s TRP 50 Ca -0.11 -0.83 -0.18 0.00 -2.12 0.00 0.00 56.10 52.86 1qnd s TRP 50 Cb -0.02 -1.60 -0.07 0.00 -0.81 0.00 0.00 33.47 30.97 1qnd s TRP 50 CO 0.07 -0.29 0.59 0.08 -0.51 0.00 0.00 176.95 176.89 1qnd s VAL 51 N 0.07 4.74 -0.20 4.03 1.01 -0.97 -1.57 120.40 127.51 1qnd s VAL 51 Ca -0.10 1.11 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1qnd s VAL 51 Cb -0.15 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1qnd s VAL 51 CO 0.06 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 1qnd s VAL 52 N -1.29 1.50 -0.16 2.92 1.01 0.11 -0.63 120.40 123.86 1qnd s VAL 52 Ca 0.34 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 1qnd s VAL 52 Cb -0.18 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1qnd s VAL 52 CO 0.20 0.07 0.87 -0.62 0.00 0.00 0.00 175.10 175.62 1qnd s ASP 53 N 1.44 7.01 -0.25 3.32 -1.08 -0.22 -1.99 116.67 124.91 1qnd s ASP 53 Ca -0.02 1.24 0.22 0.00 -0.52 0.00 0.00 52.55 53.47 1qnd s ASP 53 Cb -0.17 -2.47 0.50 0.00 -1.46 0.00 0.00 42.92 39.32 1qnd s ASP 53 CO -0.07 -0.41 1.12 1.33 0.52 0.00 0.00 175.17 177.66 1qnd n VAL 54 N 4.70 1.30 0.00 1.11 0.24 0.21 -1.20 118.33 124.70 1qnd n VAL 54 Ca 0.05 -2.91 0.00 0.00 -2.04 0.00 0.00 64.34 59.45 1qnd n VAL 54 Cb 0.49 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.54 0.21 -3.31 7.34 4.81 -0.95 -1.72 118.16 123.99 1qnd n LYS 55 Ca 0.10 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.13 1qnd n LYS 55 Cb 0.84 -0.88 -0.08 0.00 0.02 0.00 0.00 35.03 34.92 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 -3.68 6.27 1.48 3.14 0.01 -1.26 -4.76 114.94 116.13 1qnd s ASN 56 Ca 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 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 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 1qnd n GLY 57 N 4.82 3.25 0.00 0.66 0.00 -1.26 -0.90 105.19 111.76 1qnd n GLY 57 Ca -0.07 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 13.95 0.54 0.00 1.61 4.01 -1.26 -4.90 118.16 132.12 1qnd n LYS 58 Ca 0.00 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 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 0.55 -2.59 3.64 0.72 0.00 -0.08 -3.19 105.19 104.23 1qnd n GLY 59 Ca 0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.65 -0.38 0.44 1.61 0.01 -0.34 -4.72 113.70 106.68 1qnd s SER 60 Ca 0.00 0.64 -0.22 0.00 1.31 0.00 0.00 55.95 57.68 1qnd s SER 60 Cb 0.00 0.99 -0.09 0.00 0.21 0.00 0.00 66.02 67.13 1qnd s SER 60 CO 0.00 -0.10 1.05 -0.69 0.41 0.00 0.00 173.24 173.90 1qnd s VAL 61 N 0.91 3.74 -0.42 3.43 1.01 -1.26 -1.05 120.40 126.75 1qnd s VAL 61 Ca -0.04 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1qnd s VAL 61 Cb -0.04 -3.56 0.12 0.00 0.00 0.00 0.00 36.38 32.90 1qnd s VAL 61 CO -0.12 -0.11 0.18 -0.76 0.00 0.00 0.00 175.10 174.29 1qnd s LEU 62 N -3.06 3.46 0.51 3.92 1.43 0.19 -4.90 118.68 120.24 1qnd s LEU 62 Ca 0.62 -2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 51.05 1qnd s LEU 62 Cb -0.19 -1.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 1qnd s LEU 62 CO 0.24 -0.30 1.06 -2.16 0.23 0.00 0.00 176.35 175.42 1qnd s PRO 63 N 0.49 3.63 -0.65 1.29 0.04 -1.26 -2.30 135.00 136.25 1qnd s PRO 63 Ca 0.15 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1qnd s PRO 63 Cb -0.23 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1qnd s PRO 63 CO -0.06 -0.58 0.00 0.09 0.04 0.00 0.00 177.00 176.50 1qnd n ASN 64 N -1.20 -1.93 -4.86 6.66 4.13 -1.26 -4.86 115.26 111.94 1qnd n ASN 64 Ca 0.10 0.21 -0.33 0.00 1.68 0.00 0.00 54.58 56.23 1qnd n ASN 64 Cb 0.52 -1.95 -0.06 0.00 -1.54 0.00 0.00 39.78 36.76 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1qnd s SER 65 N -1.68 6.71 0.00 6.41 0.15 -1.23 -4.94 113.70 119.12 1qnd s SER 65 Ca 0.00 1.00 0.25 0.00 0.70 0.00 0.00 55.95 57.90 1qnd s SER 65 Cb 0.00 -2.26 1.29 0.00 -1.71 0.00 0.00 66.02 63.35 1qnd s SER 65 CO 0.00 0.00 1.85 -0.67 1.20 0.00 0.00 173.24 175.62 1qnd n ASP 66 N 0.27 0.00 -4.57 5.45 2.03 -1.26 -4.84 116.55 113.62 1qnd n ASP 66 Ca -0.02 -0.15 -0.55 0.00 0.52 0.00 0.00 54.79 54.59 1qnd n ASP 66 Cb 0.52 -0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.60 1qnd n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1qnd n LYS 67 N -1.25 0.69 -0.60 -0.67 3.00 -1.26 -4.97 118.16 113.09 1qnd n LYS 67 Ca 0.13 0.25 -0.18 0.00 -0.00 0.00 0.00 58.31 58.50 1qnd n LYS 67 Cb 0.19 -1.84 0.16 0.00 0.00 0.00 0.00 35.03 33.54 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1qnd n LYS 68 N 2.35 -2.43 -3.82 1.64 2.85 -1.26 -4.97 118.16 112.52 1qnd n LYS 68 Ca 0.20 -1.06 -0.12 0.00 -1.05 0.00 0.00 58.31 56.29 1qnd n LYS 68 Cb 0.14 -1.01 -0.09 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 -2.93 -0.51 0.19 0.58 0.00 -1.26 -4.90 121.76 112.93 1qnd s ALA 69 Ca 0.43 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.43 1qnd s ALA 69 Cb -0.04 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.31 1qnd s ALA 69 CO 0.33 -0.28 1.43 0.38 0.00 0.00 0.00 175.76 177.62 1qnd h ASP 70 N 3.82 0.09 -5.40 0.00 3.04 -1.28 -3.48 116.42 113.22 1qnd h ASP 70 Ca -0.31 -0.07 -0.17 0.00 -3.24 0.00 0.00 57.03 53.24 1qnd h ASP 70 Cb 1.19 -0.03 -0.10 0.00 -1.04 0.00 0.00 39.33 39.35 1qnd h ASP 70 CO 0.43 0.87 -0.23 0.00 -2.04 0.00 0.00 179.24 178.26 1qnd s THR 72 N -3.69 -0.80 0.28 0.00 2.01 -1.26 -2.86 115.64 109.32 1qnd s THR 72 Ca 0.28 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 1qnd s THR 72 Cb 0.01 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1qnd s THR 72 CO 0.14 -0.01 0.79 -0.51 -0.69 0.00 0.00 174.62 174.33 1qnd s ILE 73 N 2.71 4.51 -0.08 1.82 -1.16 -0.64 -4.26 121.20 124.10 1qnd s ILE 73 Ca 0.07 1.33 0.04 0.00 -0.51 0.00 0.00 60.65 61.58 1qnd s ILE 73 Cb -0.14 -3.81 0.00 0.00 0.61 0.00 0.00 42.46 39.12 1qnd s ILE 73 CO -0.17 0.06 -0.21 -0.89 -2.81 0.00 0.00 174.94 170.92 1qnd s THR 74 N -1.70 1.79 0.00 4.00 2.01 -1.26 -1.01 115.64 119.47 1qnd s THR 74 Ca 0.48 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1qnd s THR 74 Cb -0.15 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1qnd s THR 74 CO 0.20 0.50 0.00 0.23 -0.69 0.00 0.00 174.62 174.86 1qnd n MET 75 N 3.47 1.77 -1.00 4.92 2.81 -1.24 -4.15 117.12 123.70 1qnd n MET 75 Ca -0.20 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 75 Cb 0.53 -0.16 -0.01 0.00 -0.71 0.00 0.00 33.22 32.86 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qnd n ALA 76 N -0.07 -1.64 -0.06 3.04 0.00 -1.26 -4.09 120.51 116.43 1qnd n ALA 76 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1qnd n ALA 76 Cb 0.00 -1.10 0.29 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.10 0.61 0.25 0.00 1.82 -0.94 0.18 116.42 118.24 1qnd h ASP 77 Ca -0.03 -0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1qnd h ASP 77 Cb 0.68 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1qnd h ASP 77 CO 0.01 0.56 -0.12 0.28 -1.61 0.00 0.00 179.24 178.36 1qnd h SER 78 N 0.66 0.00 0.00 2.28 0.02 -1.80 0.87 113.55 115.58 1qnd h SER 78 Ca 0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1qnd h SER 78 Cb 0.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1qnd h SER 78 CO -0.01 0.12 -0.46 -0.78 -1.14 0.00 0.00 176.83 174.56 1qnd h ASP 79 N 0.00 0.00 -0.11 3.07 1.82 -1.51 -3.36 116.42 116.33 1qnd h ASP 79 Ca -0.00 -0.12 0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1qnd h ASP 79 Cb 0.28 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 1qnd h ASP 79 CO 0.02 0.81 -0.35 -0.26 -1.61 0.00 0.00 179.24 177.84 1qnd h PHE 80 N -1.00 -0.98 0.32 0.28 0.04 -0.78 0.19 116.94 115.01 1qnd h PHE 80 Ca -0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1qnd h PHE 80 Cb 0.52 0.45 -0.03 0.00 2.20 0.00 0.00 35.95 39.09 1qnd h PHE 80 CO -0.10 -0.43 -0.45 1.25 -0.60 0.00 0.00 178.31 177.99 1qnd h LEU 81 N -0.44 -1.28 -1.06 1.54 5.85 -1.07 -2.21 115.31 116.65 1qnd h LEU 81 Ca 0.09 0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1qnd h LEU 81 Cb 0.58 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1qnd h LEU 81 CO -0.36 -0.57 0.63 0.00 -0.34 0.00 0.00 178.44 177.80 1qnd h ALA 82 N -0.50 1.49 0.31 1.25 0.00 -1.56 0.18 119.26 120.43 1qnd h ALA 82 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qnd h ALA 82 Cb 0.76 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qnd h ALA 82 CO -0.14 0.33 -0.36 1.25 0.00 0.00 0.00 179.25 180.33 1qnd h LEU 83 N 1.06 -0.98 -0.63 0.00 6.46 -0.38 0.70 115.31 121.55 1qnd h LEU 83 Ca 0.44 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 58.19 1qnd h LEU 83 Cb 0.30 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 1qnd h LEU 83 CO -0.19 -0.49 -0.50 0.00 -0.62 0.00 0.00 178.44 176.64 1qnd h MET 84 N -0.71 0.00 0.00 1.25 -0.00 -0.90 -3.32 114.93 111.24 1qnd h MET 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1qnd h MET 84 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1qnd h MET 84 CO -0.09 0.50 0.00 1.15 -0.00 0.00 0.00 176.91 178.47 1qnd h THR 85 N 0.00 0.00 -3.00 -0.10 2.02 -0.51 -3.38 112.91 107.94 1qnd h THR 85 Ca -0.01 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1qnd h THR 85 Cb 1.11 1.28 0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1qnd h THR 85 CO 0.07 0.00 -0.07 0.61 0.37 0.00 0.00 175.52 176.49 1qnd n GLY 86 N 0.58 0.65 0.00 2.16 0.00 -1.15 -4.91 105.19 102.52 1qnd n GLY 86 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.56 0.00 -1.39 1.61 4.81 -0.59 -4.15 118.16 116.89 1qnd n LYS 87 Ca -0.01 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.60 1qnd n LYS 87 Cb 0.51 -0.37 -0.08 0.00 0.02 0.00 0.00 35.03 35.12 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1qnd n MET 88 N -0.75 -3.02 -3.98 1.64 2.81 0.14 -4.93 117.12 109.02 1qnd n MET 88 Ca 0.00 2.37 -0.08 0.00 -1.81 0.00 0.00 57.70 58.18 1qnd n MET 88 Cb 0.00 -3.61 -0.09 0.00 -0.71 0.00 0.00 33.22 28.81 1qnd n MET 88 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1qnd s ASN 89 N -7.02 0.31 0.13 7.83 0.01 -1.26 -4.64 114.94 110.30 1qnd s ASN 89 Ca 0.00 -0.77 -0.31 0.00 -0.71 0.00 0.00 52.86 51.07 1qnd s ASN 89 Cb 0.00 0.24 -0.11 0.00 0.41 0.00 0.00 41.25 41.79 1qnd s ASN 89 CO 0.00 -0.59 1.82 -2.65 -1.51 0.00 0.00 177.10 174.16 1qnd n PRO 90 N 0.31 2.77 -1.08 -0.60 -0.02 -1.26 -4.66 135.00 130.45 1qnd n PRO 90 Ca -0.16 1.01 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 1qnd n PRO 90 Cb 0.60 -2.89 -0.11 0.00 -0.02 0.00 0.00 33.50 31.09 1qnd n PRO 90 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1qnd n GLN 91 N 5.38 0.00 -0.06 -0.52 7.27 -1.26 -4.73 117.38 123.46 1qnd n GLN 91 Ca 0.18 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.17 1qnd n GLN 91 Cb 0.37 -1.11 -0.01 0.00 2.41 0.00 0.00 30.24 31.90 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 8.54 -0.70 0.00 1.69 0.87 -1.86 -0.09 113.55 122.00 1qnd h SER 92 Ca -0.04 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1qnd h SER 92 Cb 0.98 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1qnd h SER 92 CO 0.99 -0.25 0.38 0.00 -0.53 0.00 0.00 176.83 177.42 1qnd h ALA 93 N 0.90 1.36 -1.33 6.23 0.00 -1.88 0.25 119.26 124.79 1qnd h ALA 93 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1qnd h ALA 93 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1qnd h ALA 93 CO -0.39 -0.36 0.00 0.34 0.00 0.00 0.00 179.25 178.84 1qnd n PHE 94 N -2.72 0.00 -0.33 0.00 7.35 -0.08 -4.21 117.46 117.46 1qnd n PHE 94 Ca -0.02 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.64 1qnd n PHE 94 Cb 0.42 -0.24 0.09 0.00 0.35 0.00 0.00 39.48 40.09 1qnd n PHE 94 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1qnd h PHE 95 N 0.00 1.20 0.00 -5.13 3.57 -0.92 -1.35 116.94 114.31 1qnd h PHE 95 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1qnd h PHE 95 Cb 0.00 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.35 1qnd h PHE 95 CO 0.00 0.81 0.00 1.04 -2.23 0.00 0.00 178.31 177.93 1qnd n GLN 96 N -4.37 0.20 -0.12 1.11 1.13 0.79 -4.91 117.38 111.22 1qnd n GLN 96 Ca 0.09 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 1qnd n GLN 96 Cb 0.07 -1.81 0.00 0.00 0.11 0.00 0.00 30.24 28.62 1qnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qnd n GLY 97 N 0.60 0.34 0.00 1.08 0.00 -0.51 -4.84 105.19 101.87 1qnd n GLY 97 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.20 -2.84 1.61 4.76 -1.26 -4.89 118.16 113.74 1qnd n LYS 98 Ca 0.00 0.04 -0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1qnd n LYS 98 Cb 0.00 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.05 -6.74 -4.58 -0.35 7.94 -1.26 -4.99 117.00 105.97 1qnd n LEU 99 Ca 0.05 1.22 -0.29 0.00 -1.11 0.00 0.00 56.01 55.88 1qnd n LEU 99 Cb 0.03 -2.87 0.22 0.00 0.53 0.00 0.00 43.42 41.33 1qnd n LEU 99 CO 0.04 -2.81 0.58 -1.59 -1.11 0.00 0.00 177.39 172.50 1qnd s LYS 100 N -1.39 -0.55 0.00 1.96 -2.85 -1.26 -4.62 119.74 111.03 1qnd s LYS 100 Ca -0.02 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 1qnd s LYS 100 Cb 0.00 -1.63 0.00 0.00 -2.06 0.00 0.00 37.83 34.14 1qnd s LYS 100 CO 0.57 -3.38 0.00 -0.89 0.10 0.00 0.00 175.35 171.75 1qnd n ILE 101 N -4.62 0.00 -4.05 3.79 -0.00 -1.26 -4.87 119.36 108.35 1qnd n ILE 101 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.83 1qnd n ILE 101 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.20 1qnd n ILE 101 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1qnd n THR 102 N 0.00 0.00 0.00 1.39 -2.24 -1.26 -4.79 114.28 107.38 1qnd n THR 102 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qnd n THR 102 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.47 3.39 0.08 3.38 0.00 -1.26 -5.07 105.19 105.23 1qnd n GLY 103 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 1.77 -2.70 1.61 2.85 -1.26 -5.01 115.26 112.51 1qnd n ASN 104 Ca 0.00 0.44 -0.05 0.00 -0.11 0.00 0.00 54.58 54.86 1qnd n ASN 104 Cb 0.00 -0.78 0.05 0.00 1.24 0.00 0.00 39.78 40.29 1qnd n ASN 104 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1qnd n MET 105 N -4.40 0.33 -1.55 1.20 0.00 -1.26 -5.06 117.12 106.38 1qnd n MET 105 Ca -0.10 -1.17 -0.00 0.00 0.00 0.00 0.00 57.70 56.42 1qnd n MET 105 Cb 0.39 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 33.01 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qnd n GLY 106 N 2.09 0.26 1.67 -5.12 0.00 -1.26 -4.99 105.19 97.84 1qnd n GLY 106 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1qnd n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qnd n LEU 107 N -1.29 5.56 0.00 0.99 -0.00 -1.26 -4.16 117.00 116.85 1qnd n LEU 107 Ca -0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 56.01 53.22 1qnd n LEU 107 Cb 0.50 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1qnd n LEU 107 CO 0.02 1.01 0.00 0.00 -0.00 0.00 0.00 177.39 178.42 1qnd n ALA 108 N 0.42 0.00 -2.13 1.47 0.00 -1.26 -4.89 120.51 114.13 1qnd n ALA 108 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1qnd n ALA 108 Cb 0.67 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.71 0.45 0.00 0.00 2.81 -1.26 -4.66 117.12 113.74 1qnd n MET 109 Ca 0.00 -2.19 -0.18 0.00 -1.81 0.00 0.00 57.70 53.53 1qnd n MET 109 Cb 0.00 -0.55 -0.10 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.79 0.50 -7.22 0.03 3.64 -1.91 -3.47 116.57 108.93 1qnd h LYS 110 Ca -0.13 -0.49 -0.52 0.00 -1.27 0.00 0.00 60.65 58.24 1qnd h LYS 110 Cb 1.56 0.13 0.15 0.00 -0.41 0.00 0.00 32.23 33.66 1qnd h LYS 110 CO 0.06 1.13 0.35 -0.48 -2.27 0.00 0.00 179.45 178.23 1qnd s LEU 111 N -8.37 3.20 -0.03 5.20 -0.00 -1.26 -5.03 118.68 112.39 1qnd s LEU 111 Ca -0.12 2.19 -0.01 0.00 -0.00 0.00 0.00 54.13 56.19 1qnd s LEU 111 Cb 0.05 -4.57 -0.01 0.00 -0.00 0.00 0.00 46.19 41.65 1qnd s LEU 111 CO 0.84 -2.29 -0.04 0.00 -0.00 0.00 0.00 176.35 174.87 1qnd n GLN 112 N -3.06 0.07 -0.10 1.48 6.02 -1.26 -4.49 117.38 116.04 1qnd n GLN 112 Ca 0.12 0.03 -0.18 0.00 -0.01 0.00 0.00 57.00 56.96 1qnd n GLN 112 Cb 0.51 -0.70 -0.13 0.00 1.02 0.00 0.00 30.24 30.94 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qnd n ASN 113 N -3.03 1.88 -4.63 1.08 3.02 -1.25 -2.68 115.26 109.64 1qnd n ASN 113 Ca -0.06 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.00 1qnd n ASN 113 Cb 0.55 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1qnd s LEU 114 N -6.55 3.91 -0.64 3.41 0.20 -1.26 -1.51 118.68 116.25 1qnd s LEU 114 Ca -0.31 1.71 -0.02 0.00 0.69 0.00 0.00 54.13 56.20 1qnd s LEU 114 Cb 0.08 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.32 1qnd s LEU 114 CO 0.65 -1.28 0.55 0.00 -0.29 0.00 0.00 176.35 175.97 1qnd n GLN 115 N 7.70 -3.65 -0.21 1.98 6.02 -1.26 -4.80 117.38 123.17 1qnd n GLN 115 Ca 0.19 0.42 0.03 0.00 -0.01 0.00 0.00 57.00 57.63 1qnd n GLN 115 Cb 0.45 -4.18 -0.01 0.00 1.02 0.00 0.00 30.24 27.52 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 -2.65 0.00 -4.54 1.08 4.77 -0.57 -4.12 117.00 110.97 1qnd n LEU 116 Ca -0.07 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1qnd n LEU 116 Cb 0.56 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1qnd n LEU 116 CO 0.31 -0.82 0.17 -1.10 -1.33 0.00 0.00 177.39 174.62 1qnd s GLN 117 N -0.51 3.49 1.07 3.23 -0.21 -1.09 -3.89 119.66 121.73 1qnd s GLN 117 Ca 0.00 -0.35 -0.16 0.00 0.02 0.00 0.00 55.36 54.87 1qnd s GLN 117 Cb 0.00 -3.85 0.22 0.00 1.00 0.00 0.00 33.01 30.39 1qnd s GLN 117 CO 0.00 -0.68 1.15 -1.25 -2.12 0.00 0.00 175.29 172.39 1qnd s PRO 118 N 2.29 -0.13 0.00 2.91 0.04 -1.26 -4.33 135.00 134.51 1qnd s PRO 118 Ca 0.16 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1qnd s PRO 118 Cb -0.16 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1qnd s PRO 118 CO 0.13 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1qnd n GLY 119 N -1.69 -1.22 3.62 0.56 0.00 -1.26 -4.93 105.19 100.26 1qnd n GLY 119 Ca 0.10 -0.59 -0.49 0.00 0.00 0.00 0.00 46.02 45.04 1qnd n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qnd n ASN 120 N 0.00 3.05 -4.67 1.61 6.94 -1.26 -4.87 115.26 116.06 1qnd n ASN 120 Ca 0.00 0.75 -0.30 0.00 -0.02 0.00 0.00 54.58 55.01 1qnd n ASN 120 Cb 0.00 -1.35 0.16 0.00 -2.36 0.00 0.00 39.78 36.23 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qnd s ALA 121 N 5.35 1.17 0.21 -2.53 0.00 -1.26 -5.03 121.76 119.67 1qnd s ALA 121 Ca 0.98 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 1qnd s ALA 121 Cb -0.71 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 1qnd s ALA 121 CO 0.50 -2.69 0.89 0.15 0.00 0.00 0.00 175.76 174.61 1qnd s LYS 122 N -4.79 4.77 0.00 0.00 3.01 -1.26 -5.20 119.74 116.27 1qnd s LYS 122 Ca 0.65 1.39 0.00 0.00 -1.01 0.00 0.00 55.97 57.00 1qnd s LYS 122 Cb -0.20 -3.28 0.00 0.00 -1.01 0.00 0.00 37.83 33.34 1qnd s LYS 122 CO 0.59 0.52 0.00 -0.11 0.51 0.00 0.00 175.35 176.85