#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd s SER 2 N 0.00 6.20 -0.86 6.43 0.15 -1.26 -3.21 113.70 121.15 1qnd s SER 2 Ca 0.00 2.67 -0.04 0.00 0.70 0.00 0.00 55.95 59.28 1qnd s SER 2 Cb 0.00 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1qnd s SER 2 CO 0.00 -0.93 0.72 0.00 1.20 0.00 0.00 173.24 174.23 1qnd n ALA 3 N -0.01 -2.58 -1.20 5.45 0.00 -1.26 -5.04 120.51 115.88 1qnd n ALA 3 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1qnd n ALA 3 Cb 0.44 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.27 0.00 -0.99 0.00 7.64 -1.20 -5.01 113.62 111.80 1qnd n SER 4 Ca -0.10 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.67 1qnd n SER 4 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qnd n ASP 5 N -0.93 -4.07 -3.70 6.43 8.00 -1.26 -4.91 116.55 116.11 1qnd n ASP 5 Ca 0.00 0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 1qnd n ASP 5 Cb 0.00 -2.81 -0.12 0.00 -0.02 0.00 0.00 41.12 38.18 1qnd n ASP 5 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qnd s GLY 6 N -2.75 2.09 -0.18 0.44 0.00 -1.26 -4.97 107.32 100.70 1qnd s GLY 6 Ca 0.00 -3.11 -0.17 0.00 0.00 0.00 0.00 44.72 41.44 1qnd s GLY 6 CO 0.00 1.52 0.48 -1.36 0.00 0.00 0.00 173.10 173.73 1qnd s PHE 7 N -0.55 -0.52 0.53 1.90 0.08 -1.26 -4.92 117.98 113.24 1qnd s PHE 7 Ca 0.26 1.27 0.18 0.00 0.12 0.00 0.00 56.93 58.77 1qnd s PHE 7 Cb -0.07 0.18 1.33 0.00 -0.57 0.00 0.00 43.02 43.90 1qnd s PHE 7 CO -0.14 -0.25 2.14 -0.22 -0.10 0.00 0.00 175.22 176.65 1qnd h LYS 8 N 5.39 0.00 0.00 0.44 3.64 -1.96 0.21 116.57 124.28 1qnd h LYS 8 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1qnd h LYS 8 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1qnd h LYS 8 CO 0.21 0.00 0.12 0.00 -2.27 0.00 0.00 179.45 177.51 1qnd n ALA 9 N -2.53 0.79 -0.21 5.00 0.00 -1.26 -3.71 120.51 118.58 1qnd n ALA 9 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1qnd n ALA 9 Cb 0.16 -0.84 0.32 0.00 0.00 0.00 0.00 19.45 19.09 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 0.74 -0.05 0.00 -0.73 -1.32 0.32 115.58 114.53 1qnd h ASN 10 Ca 0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 1qnd h ASN 10 Cb 0.25 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1qnd h ASN 10 CO 0.00 0.48 -0.70 0.17 -0.37 0.00 0.00 177.43 177.01 1qnd h LEU 11 N 0.84 0.80 -0.51 0.34 -0.00 -1.82 -3.35 115.31 111.60 1qnd h LEU 11 Ca 0.33 -0.49 0.06 0.00 -0.00 0.00 0.00 57.88 57.77 1qnd h LEU 11 Cb 0.22 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 1qnd h LEU 11 CO -0.11 1.27 0.22 0.58 -0.00 0.00 0.00 178.44 180.40 1qnd h VAL 12 N 0.49 0.88 0.00 0.15 2.07 -1.16 0.70 116.25 119.38 1qnd h VAL 12 Ca -0.03 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1qnd h VAL 12 Cb 1.30 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1qnd h VAL 12 CO 0.14 0.08 -0.20 -0.26 0.02 0.00 0.00 177.57 177.35 1qnd h PHE 13 N 0.43 0.00 0.00 1.57 0.04 -1.68 -2.65 116.94 114.64 1qnd h PHE 13 Ca 0.24 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.89 1qnd h PHE 13 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1qnd h PHE 13 CO -0.13 0.20 -0.54 -0.22 -0.60 0.00 0.00 178.31 177.01 1qnd h LYS 14 N 0.00 0.00 -0.36 1.51 3.64 -1.01 -0.93 116.57 119.41 1qnd h LYS 14 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1qnd h LYS 14 Cb 0.59 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1qnd h LYS 14 CO 0.03 0.54 0.24 0.93 -2.27 0.00 0.00 179.45 178.92 1qnd h GLU 15 N 0.00 0.47 -0.15 1.90 4.39 -1.02 0.40 114.58 120.57 1qnd h GLU 15 Ca -0.01 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1qnd h GLU 15 Cb 1.18 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1qnd h GLU 15 CO 0.07 0.31 0.08 0.82 -1.16 0.00 0.00 179.01 179.13 1qnd h ILE 16 N 0.48 1.01 -0.76 3.13 2.04 -1.47 -2.29 117.51 119.65 1qnd h ILE 16 Ca 0.13 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1qnd h ILE 16 Cb -0.05 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1qnd h ILE 16 CO -0.03 0.03 0.43 -0.08 0.00 0.00 0.00 178.15 178.49 1qnd h GLU 17 N 0.17 0.72 -0.25 2.37 4.81 -0.90 -2.47 114.58 119.04 1qnd h GLU 17 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1qnd h GLU 17 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1qnd h GLU 17 CO -0.04 0.48 0.16 -0.22 -0.73 0.00 0.00 179.01 178.66 1qnd h LYS 18 N 0.75 0.33 -0.53 1.92 3.11 0.38 0.25 116.57 122.78 1qnd h LYS 18 Ca 0.36 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 58.21 1qnd h LYS 18 Cb 0.29 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.40 1qnd h LYS 18 CO -0.22 0.24 0.28 -0.22 -2.81 0.00 0.00 179.45 176.72 1qnd h LYS 19 N 0.32 0.52 -0.81 1.90 1.63 -1.41 -1.17 116.57 117.56 1qnd h LYS 19 Ca 0.09 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 1qnd h LYS 19 Cb -0.01 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.44 1qnd h LYS 19 CO -0.02 0.35 0.48 -0.07 -3.45 0.00 0.00 179.45 176.73 1qnd h LEU 20 N 0.54 0.71 0.27 5.20 3.38 -0.50 0.10 115.31 125.01 1qnd h LEU 20 Ca 0.23 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1qnd h LEU 20 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1qnd h LEU 20 CO -0.15 0.43 -0.13 -0.33 0.09 0.00 0.00 178.44 178.36 1qnd h GLU 21 N 0.84 -0.34 -0.39 1.13 4.39 -0.37 0.34 114.58 120.17 1qnd h GLU 21 Ca 0.37 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1qnd h GLU 21 Cb 0.26 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1qnd h GLU 21 CO -0.21 -0.10 0.19 0.93 -1.16 0.00 0.00 179.01 178.67 1qnd h GLU 22 N -0.55 0.55 0.00 2.33 5.08 -0.85 -3.40 114.58 117.74 1qnd h GLU 22 Ca -0.04 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 1qnd h GLU 22 Cb 0.40 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.41 1qnd h GLU 22 CO 0.06 0.48 -0.36 -1.91 -1.00 0.00 0.00 179.01 176.27 1qnd n GLU 23 N -4.72 0.95 0.10 2.33 2.13 0.32 -4.99 120.64 116.77 1qnd n GLU 23 Ca -0.00 -1.77 0.08 0.00 0.66 0.00 0.00 57.16 56.12 1qnd n GLU 23 Cb 0.10 -0.77 0.38 0.00 0.27 0.00 0.00 31.44 31.43 1qnd n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qnd n GLY 24 N 0.20 -0.84 0.35 8.31 0.00 0.12 -3.49 105.19 109.83 1qnd n GLY 24 Ca 0.03 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1qnd n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qnd h GLU 25 N 0.00 0.81 0.00 1.61 4.22 -1.80 0.18 114.58 119.61 1qnd h GLU 25 Ca 0.00 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.26 1qnd h GLU 25 Cb 0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1qnd h GLU 25 CO 0.00 0.54 -0.63 0.37 -2.18 0.00 0.00 179.01 177.11 1qnd h GLN 26 N 0.84 0.00 -0.02 1.92 4.15 -1.90 -3.19 115.11 116.91 1qnd h GLN 26 Ca 0.52 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.75 1qnd h GLN 26 Cb 0.68 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 1qnd h GLN 26 CO -0.33 0.63 -0.82 0.74 -1.93 0.00 0.00 178.83 177.12 1qnd h PHE 27 N 0.00 0.39 -0.05 3.99 -1.00 -0.98 -2.79 116.94 116.50 1qnd h PHE 27 Ca -0.01 -0.20 0.03 0.00 2.81 0.00 0.00 57.97 60.61 1qnd h PHE 27 Cb 1.44 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.91 1qnd h PHE 27 CO 0.00 0.98 -0.18 0.28 -1.61 0.00 0.00 178.31 177.78 1qnd h VAL 28 N 0.17 0.55 0.00 -0.55 2.07 -0.87 -1.80 116.25 115.82 1qnd h VAL 28 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qnd h VAL 28 Cb 1.42 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1qnd h VAL 28 CO 0.13 0.00 0.02 0.29 0.02 0.00 0.00 177.57 178.03 1qnd n LYS 29 N -5.32 0.12 0.04 1.57 5.02 -1.07 -0.34 118.16 118.18 1qnd n LYS 29 Ca -0.04 0.62 -0.22 0.00 -2.02 0.00 0.00 58.31 56.65 1qnd n LYS 29 Cb 0.23 -1.92 -0.14 0.00 -0.02 0.00 0.00 35.03 33.19 1qnd n LYS 29 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1qnd h LYS 30 N 0.00 0.31 0.00 1.97 1.79 -1.13 -3.43 116.57 116.07 1qnd h LYS 30 Ca 0.00 -0.53 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 1qnd h LYS 30 Cb 0.03 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1qnd h LYS 30 CO 0.00 1.25 -0.71 -0.89 -1.08 0.00 0.00 179.45 178.03 1qnd n ILE 31 N -3.78 1.38 -2.67 1.86 -0.00 -1.10 -3.81 119.36 111.25 1qnd n ILE 31 Ca -0.25 0.21 -0.05 0.00 -0.00 0.00 0.00 62.75 62.67 1qnd n ILE 31 Cb 0.98 -2.06 0.02 0.00 -0.00 0.00 0.00 39.64 38.58 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 2.18 -0.79 3.74 7.39 0.00 0.54 -4.68 105.19 113.57 1qnd n GLY 32 Ca -0.10 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1qnd n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qnd s GLY 33 N -2.96 -0.23 -0.16 -0.02 0.00 -0.38 -4.87 107.32 98.70 1qnd s GLY 33 Ca 0.15 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 45.02 1qnd s GLY 33 CO 0.53 0.54 0.05 -0.42 0.00 0.00 0.00 173.10 173.80 1qnd s ILE 34 N -2.84 4.73 0.27 0.90 1.09 -1.26 -1.03 121.20 123.05 1qnd s ILE 34 Ca 0.15 -0.06 0.04 0.00 -1.10 0.00 0.00 60.65 59.68 1qnd s ILE 34 Cb 0.00 -3.10 -0.06 0.00 -1.06 0.00 0.00 42.46 38.24 1qnd s ILE 34 CO 0.01 0.50 0.01 0.72 -0.10 0.00 0.00 174.94 176.08 1qnd s PHE 35 N 0.05 1.75 0.02 3.97 -0.12 -0.71 -0.65 117.98 122.29 1qnd s PHE 35 Ca 0.05 -0.91 0.04 0.00 -0.05 0.00 0.00 56.93 56.06 1qnd s PHE 35 Cb -0.12 -1.05 -0.03 0.00 -0.63 0.00 0.00 43.02 41.18 1qnd s PHE 35 CO 0.01 0.01 -0.07 0.00 -0.05 0.00 0.00 175.22 175.12 1qnd s ALA 36 N -3.33 3.01 -0.78 1.99 0.00 -0.91 -0.68 121.76 121.06 1qnd s ALA 36 Ca 0.31 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 1qnd s ALA 36 Cb 0.06 -1.09 0.15 0.00 0.00 0.00 0.00 23.12 22.24 1qnd s ALA 36 CO 0.11 0.62 0.87 -0.06 0.00 0.00 0.00 175.76 177.30 1qnd s PHE 37 N -1.04 3.28 -0.47 0.00 0.08 -0.30 -1.70 117.98 117.84 1qnd s PHE 37 Ca 0.18 -1.44 -0.29 0.00 0.12 0.00 0.00 56.93 55.51 1qnd s PHE 37 Cb -0.11 -4.04 0.02 0.00 -0.57 0.00 0.00 43.02 38.32 1qnd s PHE 37 CO 0.09 -1.26 1.28 0.15 -0.10 0.00 0.00 175.22 175.37 1qnd s LYS 38 N 1.88 3.61 -0.32 0.44 -0.14 -0.72 -3.69 119.74 120.81 1qnd s LYS 38 Ca 0.21 0.69 0.02 0.00 -1.36 0.00 0.00 55.97 55.52 1qnd s LYS 38 Cb -0.13 -3.98 0.08 0.00 -1.68 0.00 0.00 37.83 32.12 1qnd s LYS 38 CO -0.04 -1.53 0.01 0.08 -0.76 0.00 0.00 175.35 173.11 1qnd s VAL 39 N 5.03 2.49 0.70 3.17 1.01 -1.16 -3.27 120.40 128.38 1qnd s VAL 39 Ca 0.54 -1.92 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1qnd s VAL 39 Cb -0.10 -2.63 0.14 0.00 0.00 0.00 0.00 36.38 33.78 1qnd s VAL 39 CO 0.31 -0.34 0.96 2.29 0.00 0.00 0.00 175.10 178.32 1qnd n LYS 40 N 4.42 0.00 -3.52 2.72 2.85 -1.26 -1.42 118.16 121.95 1qnd n LYS 40 Ca -0.06 -2.77 -0.19 0.00 -1.05 0.00 0.00 58.31 54.24 1qnd n LYS 40 Cb 0.42 -0.59 0.08 0.00 -0.65 0.00 0.00 35.03 34.28 1qnd n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1qnd n ASP 41 N -2.82 -2.65 -2.91 -5.58 2.03 -0.98 -0.94 116.55 102.70 1qnd n ASP 41 Ca 0.16 -0.65 -0.12 0.00 0.52 0.00 0.00 54.79 54.71 1qnd n ASP 41 Cb 0.59 -4.89 0.10 0.00 -0.72 0.00 0.00 41.12 36.19 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 -1.36 -2.58 3.51 0.27 0.00 -0.25 -3.97 105.19 100.82 1qnd n GLY 42 Ca -0.23 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.80 1.14 0.00 1.61 -0.04 -1.26 -1.04 135.00 132.61 1qnd n PRO 43 Ca 0.06 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1qnd n PRO 43 Cb 0.23 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.08 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 5.66 1.27 0.68 0.55 0.00 -1.26 -4.89 105.19 107.19 1qnd n GLY 44 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1qnd n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 45 N 0.00 1.08 2.11 -0.02 0.00 -0.20 -5.05 105.19 103.10 1qnd n GLY 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N -2.00 -3.75 -4.10 1.61 5.02 -1.26 -2.83 118.16 110.85 1qnd n LYS 46 Ca 0.00 -0.98 -0.13 0.00 -2.02 0.00 0.00 58.31 55.18 1qnd n LYS 46 Cb 0.00 -1.23 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 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 -4.39 0.64 0.47 1.97 -1.05 -1.26 -1.09 118.70 113.99 1qnd s GLU 47 Ca 0.44 -0.92 0.04 0.00 -0.15 0.00 0.00 54.97 54.38 1qnd s GLU 47 Cb -0.07 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.24 1qnd s GLU 47 CO 0.37 0.05 0.04 0.00 0.95 0.00 0.00 175.26 176.66 1qnd s ALA 48 N -1.91 3.77 0.03 -0.84 0.00 -0.50 -4.47 121.76 117.83 1qnd s ALA 48 Ca -0.04 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 1qnd s ALA 48 Cb -0.06 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1qnd s ALA 48 CO -0.01 -0.09 0.23 0.99 0.00 0.00 0.00 175.76 176.89 1qnd s THR 49 N -2.80 0.09 -0.04 0.00 2.01 -1.26 -2.98 115.64 110.67 1qnd s THR 49 Ca 0.20 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.49 1qnd s THR 49 Cb 0.05 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1qnd s THR 49 CO 0.10 -0.43 -0.24 0.26 -0.69 0.00 0.00 174.62 173.62 1qnd s TRP 50 N -2.33 2.31 0.07 4.92 0.51 -1.24 -4.05 118.94 119.14 1qnd s TRP 50 Ca -0.07 -0.60 -0.11 0.00 -2.12 0.00 0.00 56.10 53.20 1qnd s TRP 50 Cb -0.02 -1.51 -0.06 0.00 -0.81 0.00 0.00 33.47 31.07 1qnd s TRP 50 CO -0.02 -0.15 0.42 0.08 -0.51 0.00 0.00 176.95 176.76 1qnd s VAL 51 N -0.30 5.06 -0.20 4.03 1.01 -0.93 -1.15 120.40 127.93 1qnd s VAL 51 Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1qnd s VAL 51 Cb -0.12 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1qnd s VAL 51 CO 0.02 0.33 -0.07 -0.69 0.00 0.00 0.00 175.10 174.69 1qnd s VAL 52 N -1.36 1.37 -0.42 2.92 1.01 0.14 -0.78 120.40 123.29 1qnd s VAL 52 Ca 0.32 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1qnd s VAL 52 Cb -0.14 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1qnd s VAL 52 CO 0.17 0.07 1.07 -0.62 0.00 0.00 0.00 175.10 175.79 1qnd s ASP 53 N 1.50 6.69 -0.38 3.32 -1.08 0.12 -1.74 116.67 125.11 1qnd s ASP 53 Ca -0.02 0.57 0.11 0.00 -0.52 0.00 0.00 52.55 52.69 1qnd s ASP 53 Cb -0.17 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.21 1qnd s ASP 53 CO -0.07 -1.09 1.06 1.33 0.52 0.00 0.00 175.17 176.92 1qnd n VAL 54 N 6.44 1.83 0.00 1.11 0.24 -0.20 -1.12 118.33 126.64 1qnd n VAL 54 Ca 0.11 -4.10 0.00 0.00 -2.04 0.00 0.00 64.34 58.31 1qnd n VAL 54 Cb 0.48 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.36 0.00 -2.71 7.34 4.81 -1.11 -1.25 118.16 124.89 1qnd n LYS 55 Ca 0.27 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.29 1qnd n LYS 55 Cb 0.75 -0.07 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 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 -5.00 7.39 1.56 3.14 0.01 -1.26 -4.81 114.94 115.97 1qnd s ASN 56 Ca 0.00 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 1qnd s ASN 56 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1qnd s ASN 56 CO 0.00 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.98 1qnd n GLY 57 N 2.75 3.11 0.78 0.66 0.00 -1.26 -0.53 105.19 110.70 1qnd n GLY 57 Ca 0.05 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 13.13 2.52 0.00 1.61 5.02 -1.26 -4.95 118.16 134.23 1qnd n LYS 58 Ca 0.00 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1qnd n LYS 58 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnd n GLY 59 N 0.81 -1.29 3.60 0.72 0.00 0.31 -3.15 105.19 106.20 1qnd n GLY 59 Ca 0.14 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.80 -0.30 0.49 1.61 0.01 -0.28 -4.79 113.70 107.64 1qnd s SER 60 Ca 0.00 0.40 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 1qnd s SER 60 Cb 0.00 0.34 -0.08 0.00 0.21 0.00 0.00 66.02 66.49 1qnd s SER 60 CO 0.00 -0.23 0.95 -0.69 0.41 0.00 0.00 173.24 173.68 1qnd s VAL 61 N -0.79 4.55 -0.41 3.43 1.01 -1.26 -0.70 120.40 126.23 1qnd s VAL 61 Ca 0.02 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1qnd s VAL 61 Cb -0.02 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1qnd s VAL 61 CO -0.03 -0.62 0.28 -0.76 0.00 0.00 0.00 175.10 173.97 1qnd s LEU 62 N -3.92 1.73 0.37 3.92 1.43 0.04 -4.89 118.68 117.36 1qnd s LEU 62 Ca 0.58 -2.67 -0.27 0.00 -1.03 0.00 0.00 54.13 50.75 1qnd s LEU 62 Cb -0.10 -0.63 -0.09 0.00 0.03 0.00 0.00 46.19 45.41 1qnd s LEU 62 CO 0.29 -0.24 1.21 -2.16 0.23 0.00 0.00 176.35 175.68 1qnd s PRO 63 N 0.43 4.20 -1.12 1.29 0.04 -1.26 -2.18 135.00 136.40 1qnd s PRO 63 Ca 0.23 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 1qnd s PRO 63 Cb -0.14 -2.86 0.09 0.00 0.04 0.00 0.00 34.50 31.63 1qnd s PRO 63 CO -0.07 -0.23 0.38 0.09 0.04 0.00 0.00 177.00 177.21 1qnd n ASN 64 N 0.43 -2.78 -4.85 6.66 3.02 -1.26 -4.90 115.26 111.59 1qnd n ASN 64 Ca 0.02 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.91 1qnd n ASN 64 Cb 0.45 -2.36 -0.05 0.00 -0.61 0.00 0.00 39.78 37.21 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 -2.64 6.69 0.00 6.41 0.15 -1.23 -4.96 113.70 118.12 1qnd s SER 65 Ca 0.38 1.42 0.29 0.00 0.70 0.00 0.00 55.95 58.74 1qnd s SER 65 Cb -0.21 -2.44 1.18 0.00 -1.71 0.00 0.00 66.02 62.84 1qnd s SER 65 CO 0.47 -0.41 1.83 0.47 1.20 0.00 0.00 173.24 176.79 1qnd n ASP 66 N -1.06 0.64 -4.63 5.45 8.00 -1.26 -4.91 116.55 118.78 1qnd n ASP 66 Ca 0.05 -0.76 -0.50 0.00 0.71 0.00 0.00 54.79 54.29 1qnd n ASP 66 Cb 0.54 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1qnd n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qnd n LYS 67 N -0.79 1.54 -0.96 -1.24 3.00 -1.26 -4.96 118.16 113.50 1qnd n LYS 67 Ca 0.15 0.56 -0.20 0.00 -0.00 0.00 0.00 58.31 58.81 1qnd n LYS 67 Cb 0.28 -2.26 0.16 0.00 0.00 0.00 0.00 35.03 33.22 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 3.19 -1.85 -3.83 1.64 2.85 -1.26 -4.96 118.16 113.94 1qnd n LYS 68 Ca 0.19 -1.29 -0.12 0.00 -1.05 0.00 0.00 58.31 56.03 1qnd n LYS 68 Cb 0.22 -1.05 -0.12 0.00 -0.65 0.00 0.00 35.03 33.43 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 -3.40 -0.35 0.17 0.58 0.00 -1.26 -4.87 121.76 112.63 1qnd s ALA 69 Ca 0.50 0.32 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1qnd s ALA 69 Cb -0.03 -0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.06 1qnd s ALA 69 CO 0.37 -0.09 1.49 0.38 0.00 0.00 0.00 175.76 177.91 1qnd h ASP 70 N 5.66 0.00 -5.20 0.00 3.04 -1.25 -3.47 116.42 115.19 1qnd h ASP 70 Ca -0.26 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.46 1qnd h ASP 70 Cb 1.20 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.37 1qnd h ASP 70 CO 0.41 0.72 -0.20 0.00 -2.04 0.00 0.00 179.24 178.14 1qnd s THR 72 N -3.94 -0.43 0.14 0.00 2.01 -1.26 -2.14 115.64 110.02 1qnd s THR 72 Ca 0.15 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.14 1qnd s THR 72 Cb 0.02 -0.48 -0.07 0.00 0.01 0.00 0.00 72.50 71.98 1qnd s THR 72 CO -0.01 0.09 0.79 -0.51 -0.69 0.00 0.00 174.62 174.30 1qnd s ILE 73 N 2.43 4.45 -0.15 1.82 2.07 -0.69 -3.79 121.20 127.35 1qnd s ILE 73 Ca 0.02 1.72 -0.03 0.00 -1.41 0.00 0.00 60.65 60.94 1qnd s ILE 73 Cb -0.12 -4.15 -0.03 0.00 0.13 0.00 0.00 42.46 38.29 1qnd s ILE 73 CO -0.09 0.48 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.49 1qnd s THR 74 N -0.84 3.91 0.00 4.00 2.01 -1.26 -1.76 115.64 121.70 1qnd s THR 74 Ca 0.37 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1qnd s THR 74 Cb -0.23 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.58 1qnd s THR 74 CO 0.26 0.51 0.00 0.23 -0.69 0.00 0.00 174.62 174.93 1qnd n MET 75 N 3.36 0.00 0.00 4.92 2.81 -1.20 -4.48 117.12 122.52 1qnd n MET 75 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 75 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 -3.00 0.00 -0.04 3.04 0.00 -1.26 -4.64 120.51 114.61 1qnd n ALA 76 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1qnd n ALA 76 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.05 0.00 0.00 3.58 -1.16 0.52 116.42 119.41 1qnd h ASP 77 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1qnd h ASP 77 Cb 0.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1qnd h ASP 77 CO 0.00 0.06 0.00 -0.24 -2.88 0.00 0.00 179.24 176.18 1qnd n SER 78 N -5.06 0.00 -0.10 2.28 2.88 -1.26 -0.61 113.62 111.75 1qnd n SER 78 Ca -0.03 -0.65 -0.17 0.00 -1.33 0.00 0.00 58.87 56.69 1qnd n SER 78 Cb 0.08 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qnd n ASP 79 N -0.93 2.03 0.50 -3.46 2.03 -0.65 -4.44 116.55 111.62 1qnd n ASP 79 Ca 0.12 0.06 -0.19 0.00 0.52 0.00 0.00 54.79 55.29 1qnd n ASP 79 Cb 0.05 -0.44 -0.09 0.00 -0.72 0.00 0.00 41.12 39.92 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qnd h PHE 80 N -0.33 -1.17 -0.48 -0.67 0.04 -0.13 0.05 116.94 114.24 1qnd h PHE 80 Ca -0.47 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.32 1qnd h PHE 80 Cb 1.57 0.39 -0.08 0.00 2.20 0.00 0.00 35.95 40.02 1qnd h PHE 80 CO -0.02 -0.73 -0.50 1.25 -0.60 0.00 0.00 178.31 177.72 1qnd h LEU 81 N -1.26 -1.71 -2.31 1.54 5.85 -1.11 -2.18 115.31 114.13 1qnd h LEU 81 Ca -0.13 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1qnd h LEU 81 Cb 0.97 0.71 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1qnd h LEU 81 CO 0.21 -0.32 0.06 0.00 -0.34 0.00 0.00 178.44 178.05 1qnd h ALA 82 N -0.08 1.05 0.09 1.25 0.00 -1.66 -0.56 119.26 119.35 1qnd h ALA 82 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qnd h ALA 82 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1qnd h ALA 82 CO -0.59 -0.05 -0.04 1.25 0.00 0.00 0.00 179.25 179.81 1qnd h LEU 83 N 0.00 -0.10 -0.73 0.00 6.46 -0.30 0.81 115.31 121.45 1qnd h LEU 83 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1qnd h LEU 83 Cb 0.11 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1qnd h LEU 83 CO 0.00 -0.05 -0.14 0.00 -0.62 0.00 0.00 178.44 177.63 1qnd h MET 84 N -0.16 0.00 0.00 1.25 -0.00 -1.60 -2.25 114.93 112.17 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 1qnd h MET 84 CO 0.02 0.14 0.00 1.15 -0.00 0.00 0.00 176.91 178.22 1qnd h THR 85 N 0.00 0.00 -3.41 -0.10 2.02 -1.21 -3.44 112.91 106.77 1qnd h THR 85 Ca -0.00 -0.69 -0.26 0.00 0.77 0.00 0.00 66.41 66.22 1qnd h THR 85 Cb 0.85 1.68 0.06 0.00 -1.74 0.00 0.00 68.15 69.00 1qnd h THR 85 CO 0.02 0.00 -0.41 0.61 0.37 0.00 0.00 175.52 176.11 1qnd n GLY 86 N 0.52 -0.07 0.23 2.16 0.00 0.10 -4.94 105.19 103.20 1qnd n GLY 86 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1qnd n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qnd h LYS 87 N -1.18 0.60 -2.66 1.61 1.63 -1.36 -3.46 116.57 111.76 1qnd h LYS 87 Ca -0.35 -0.29 0.05 0.00 -0.85 0.00 0.00 60.65 59.20 1qnd h LYS 87 Cb 1.24 -0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.73 1qnd h LYS 87 CO 0.37 0.88 0.35 -1.64 -3.45 0.00 0.00 179.45 175.95 1qnd s MET 88 N -4.32 1.08 -0.84 1.90 -1.94 -1.26 -5.11 119.30 108.81 1qnd s MET 88 Ca -0.08 -0.41 -0.25 0.00 -1.71 0.00 0.00 55.69 53.24 1qnd s MET 88 Cb 0.12 0.49 -0.19 0.00 2.01 0.00 0.00 34.83 37.26 1qnd s MET 88 CO 0.83 -0.47 2.25 0.09 -0.01 0.00 0.00 175.02 177.70 1qnd n ASN 89 N -0.32 0.16 -4.61 3.03 3.02 -1.26 -4.79 115.26 110.48 1qnd n ASN 89 Ca -0.13 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.12 1qnd n ASN 89 Cb 0.63 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 1qnd n ASN 89 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1qnd s PRO 90 N 7.50 3.95 -0.43 3.52 0.04 -1.26 -4.92 135.00 143.39 1qnd s PRO 90 Ca 1.15 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.85 1qnd s PRO 90 Cb -1.04 -3.74 0.25 0.00 0.04 0.00 0.00 34.50 30.00 1qnd s PRO 90 CO 0.42 -0.76 1.01 0.00 0.04 0.00 0.00 177.00 177.71 1qnd n GLN 91 N 6.38 0.50 0.02 4.56 10.64 -1.26 -5.01 117.38 133.22 1qnd n GLN 91 Ca 0.05 -1.35 0.06 0.00 -1.83 0.00 0.00 57.00 53.94 1qnd n GLN 91 Cb 0.48 -0.96 0.48 0.00 -0.86 0.00 0.00 30.24 29.37 1qnd n GLN 91 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1qnd h SER 92 N 3.78 0.37 0.00 2.61 0.87 -1.93 -3.15 113.55 116.10 1qnd h SER 92 Ca -0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1qnd h SER 92 Cb 1.10 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1qnd h SER 92 CO 0.11 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.67 1qnd n ALA 93 N -2.50 0.00 0.00 6.23 0.00 -1.26 -4.04 120.51 118.94 1qnd n ALA 93 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1qnd n ALA 93 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1qnd n ALA 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qnd n PHE 94 N -0.15 0.00 1.21 0.00 7.35 -1.19 -0.77 117.46 123.91 1qnd n PHE 94 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1qnd n PHE 94 Cb 0.00 0.00 0.61 0.00 0.35 0.00 0.00 39.48 40.44 1qnd n PHE 94 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1qnd n PHE 95 N 9.73 0.00 -0.21 -5.13 3.72 -1.26 -3.61 117.46 120.69 1qnd n PHE 95 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1qnd n PHE 95 Cb 0.00 -0.34 0.04 0.00 -0.94 0.00 0.00 39.48 38.23 1qnd n PHE 95 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1qnd h GLN 96 N 0.12 1.07 -3.41 -1.08 4.20 -1.63 -3.48 115.11 110.90 1qnd h GLN 96 Ca 0.00 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.25 1qnd h GLN 96 Cb 0.41 -0.10 0.07 0.00 0.30 0.00 0.00 27.48 28.15 1qnd h GLN 96 CO 0.00 1.04 -0.30 0.41 -0.67 0.00 0.00 178.83 179.31 1qnd n GLY 97 N -0.45 0.14 0.00 3.46 0.00 0.05 -4.93 105.19 103.46 1qnd n GLY 97 Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.24 0.02 -3.77 1.61 5.02 -1.25 -4.85 118.16 112.70 1qnd n LYS 98 Ca -0.11 0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 56.31 1qnd n LYS 98 Cb 0.56 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.45 -2.93 -4.68 -0.35 7.94 -1.26 -4.90 117.00 109.36 1qnd n LEU 99 Ca 0.01 -0.78 -0.42 0.00 -1.11 0.00 0.00 56.01 53.72 1qnd n LEU 99 Cb 0.05 -2.66 -0.03 0.00 0.53 0.00 0.00 43.42 41.31 1qnd n LEU 99 CO 0.04 0.45 1.35 -1.59 -1.11 0.00 0.00 177.39 176.53 1qnd s LYS 100 N -6.25 4.19 0.87 1.96 0.00 -1.26 -4.85 119.74 114.41 1qnd s LYS 100 Ca 0.32 2.33 -0.12 0.00 0.00 0.00 0.00 55.97 58.50 1qnd s LYS 100 Cb -0.16 -3.66 0.11 0.00 0.00 0.00 0.00 37.83 34.12 1qnd s LYS 100 CO 0.81 -0.76 1.11 0.42 0.00 0.00 0.00 175.35 176.93 1qnd s ILE 101 N 2.86 2.56 -0.20 3.79 1.09 -1.25 -4.84 121.20 125.21 1qnd s ILE 101 Ca 0.75 0.18 -0.18 0.00 -1.10 0.00 0.00 60.65 60.30 1qnd s ILE 101 Cb -0.39 -2.87 0.05 0.00 -1.06 0.00 0.00 42.46 38.19 1qnd s ILE 101 CO 0.32 -0.24 0.53 0.42 -0.10 0.00 0.00 174.94 175.88 1qnd s THR 102 N -3.15 -0.00 -0.65 2.92 -4.23 -1.26 -4.11 115.64 105.16 1qnd s THR 102 Ca 0.63 0.01 0.25 0.00 -1.18 0.00 0.00 61.69 61.39 1qnd s THR 102 Cb -0.15 -0.75 0.14 0.00 1.34 0.00 0.00 72.50 73.08 1qnd s THR 102 CO 0.55 0.00 1.47 1.23 -0.54 0.00 0.00 174.62 177.33 1qnd h GLY 103 N 5.51 0.00 0.00 3.99 0.00 -1.95 -3.46 103.07 107.16 1qnd h GLY 103 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1qnd h GLY 103 CO 0.18 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.42 1qnd n ASN 104 N -2.23 0.00 -3.04 0.19 3.02 -1.26 -4.86 115.26 107.09 1qnd n ASN 104 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1qnd n ASN 104 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.06 -0.65 0.00 3.52 2.81 -1.26 -4.57 117.12 116.91 1qnd n MET 105 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1qnd n MET 105 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 1.42 1.98 0.11 3.03 0.00 -1.25 -4.47 105.19 106.02 1qnd n GLY 106 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 0.25 0.00 0.99 -0.00 -1.26 -2.69 117.00 114.29 1qnd n LEU 107 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1qnd n LEU 107 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1qnd n LEU 107 CO 0.00 -0.59 0.13 0.00 -0.00 0.00 0.00 177.39 176.93 1qnd n ALA 108 N -1.51 -0.10 -2.69 1.47 0.00 -1.26 -4.88 120.51 111.54 1qnd n ALA 108 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 1qnd n ALA 108 Cb 0.25 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.82 1qnd n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qnd n MET 109 N -1.45 1.23 0.00 0.00 0.00 -1.22 -5.00 117.12 110.68 1qnd n MET 109 Ca 0.00 -1.78 0.09 0.00 0.00 0.00 0.00 57.70 56.02 1qnd n MET 109 Cb 0.00 -0.01 0.44 0.00 0.00 0.00 0.00 33.22 33.65 1qnd n MET 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1qnd n LYS 110 N -0.75 0.12 -0.62 3.17 3.00 -1.10 -4.87 118.16 117.12 1qnd n LYS 110 Ca -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1qnd n LYS 110 Cb 0.85 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.38 1qnd n LYS 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qnd n LEU 111 N -1.41 0.00 -0.03 3.14 -0.00 -1.26 -5.09 117.00 112.36 1qnd n LEU 111 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.05 1qnd n LEU 111 Cb 0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.57 1qnd n LEU 111 CO 0.16 0.00 -0.67 0.00 -0.00 0.00 0.00 177.39 176.88 1qnd n GLN 112 N 0.00 2.87 0.12 1.47 6.02 -1.26 -4.76 117.38 121.83 1qnd n GLN 112 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1qnd n GLN 112 Cb 0.00 -1.13 0.48 0.00 1.02 0.00 0.00 30.24 30.60 1qnd n GLN 112 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1qnd n ASN 113 N -2.24 0.57 0.00 1.08 5.15 -1.26 -0.67 115.26 117.89 1qnd n ASN 113 Ca -0.09 0.66 0.10 0.00 -0.60 0.00 0.00 54.58 54.65 1qnd n ASN 113 Cb 0.66 -0.77 0.54 0.00 -0.53 0.00 0.00 39.78 39.68 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1qnd n LEU 114 N -2.15 0.00 -2.72 1.20 7.94 -1.26 -3.98 117.00 116.02 1qnd n LEU 114 Ca 0.02 0.19 -0.04 0.00 -1.11 0.00 0.00 56.01 55.07 1qnd n LEU 114 Cb 0.19 -0.19 0.08 0.00 0.53 0.00 0.00 43.42 44.03 1qnd n LEU 114 CO 0.17 -0.07 0.26 0.00 -1.11 0.00 0.00 177.39 176.65 1qnd n GLN 115 N -1.19 1.37 -1.01 1.96 10.64 0.15 -4.88 117.38 124.41 1qnd n GLN 115 Ca 0.11 -2.43 0.09 0.00 -1.83 0.00 0.00 57.00 52.94 1qnd n GLN 115 Cb 0.13 -0.60 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 1qnd n GLN 115 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1qnd n LEU 116 N -0.73 -0.56 -4.71 2.61 4.77 -1.20 -4.37 117.00 112.81 1qnd n LEU 116 Ca -0.02 1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 56.84 1qnd n LEU 116 Cb 0.84 -2.34 -0.03 0.00 -2.33 0.00 0.00 43.42 39.56 1qnd n LEU 116 CO 0.02 -1.11 1.02 -1.10 -1.33 0.00 0.00 177.39 174.90 1qnd s GLN 117 N -4.68 4.34 0.91 3.23 1.11 -1.26 -4.48 119.66 118.83 1qnd s GLN 117 Ca 0.00 2.01 -0.14 0.00 0.01 0.00 0.00 55.36 57.24 1qnd s GLN 117 Cb 0.00 -3.27 0.15 0.00 -1.01 0.00 0.00 33.01 28.89 1qnd s GLN 117 CO 0.00 -0.40 1.25 -1.25 0.01 0.00 0.00 175.29 174.90 1qnd s PRO 118 N 1.09 1.11 -0.46 2.91 0.04 -1.26 -5.08 135.00 133.35 1qnd s PRO 118 Ca 0.63 -0.16 0.06 0.00 0.04 0.00 0.00 61.00 61.58 1qnd s PRO 118 Cb -0.35 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.49 1qnd s PRO 118 CO 0.30 -2.14 0.59 0.20 0.04 0.00 0.00 177.00 176.00 1qnd s GLY 119 N -4.68 -0.66 -0.29 0.56 0.00 -1.26 -5.12 107.32 95.86 1qnd s GLY 119 Ca 0.69 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 1qnd s GLY 119 CO 0.52 3.27 0.94 0.21 0.00 0.00 0.00 173.10 178.03 1qnd s ASN 120 N 0.99 -0.60 -0.63 1.64 3.84 -1.26 -5.11 114.94 113.82 1qnd s ASN 120 Ca 0.26 0.91 -0.27 0.00 0.21 0.00 0.00 52.86 53.96 1qnd s ASN 120 Cb -0.02 1.40 0.03 0.00 -0.55 0.00 0.00 41.25 42.11 1qnd s ASN 120 CO -0.08 -0.14 1.19 0.00 -2.79 0.00 0.00 177.10 175.29 1qnd s ALA 121 N 1.73 2.94 -0.76 1.71 0.00 -1.26 -4.98 121.76 121.14 1qnd s ALA 121 Ca -0.07 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 1qnd s ALA 121 Cb -0.05 -4.07 0.04 0.00 0.00 0.00 0.00 23.12 19.04 1qnd s ALA 121 CO -0.16 -2.82 1.26 0.21 0.00 0.00 0.00 175.76 174.25 1qnd s LYS 122 N 5.08 3.23 0.00 0.00 2.20 -1.26 -5.35 119.74 123.64 1qnd s LYS 122 Ca 0.39 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1qnd s LYS 122 Cb -0.08 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.92 1qnd s LYS 122 CO 0.22 -2.12 0.00 -0.11 -0.36 0.00 0.00 175.35 172.98