#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnn s THR 2 N 0.00 4.68 0.16 3.17 2.01 -1.26 -4.92 115.64 119.48 1qnn s THR 2 Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1qnn s THR 2 Cb 0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1qnn s THR 2 CO 0.00 -0.07 1.08 -1.00 -0.69 0.00 0.00 174.62 173.94 1qnn s HIS 3 N 1.60 3.62 0.24 4.92 4.02 -1.26 -5.03 115.29 123.40 1qnn s HIS 3 Ca 0.04 1.61 0.08 0.00 1.02 0.00 0.00 55.06 57.81 1qnn s HIS 3 Cb -0.18 -3.25 -0.04 0.00 -1.02 0.00 0.00 32.58 28.09 1qnn s HIS 3 CO 0.07 -0.52 0.06 -1.21 1.02 0.00 0.00 174.74 174.16 1qnn s GLU 4 N -0.23 2.51 -0.25 1.40 0.41 -1.26 -4.90 118.70 116.38 1qnn s GLU 4 Ca 0.49 -1.23 -0.28 0.00 -0.41 0.00 0.00 54.97 53.54 1qnn s GLU 4 Cb -0.28 -2.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.74 1qnn s GLU 4 CO 0.34 0.40 1.01 -1.17 -0.49 0.00 0.00 175.26 175.35 1qnn s LEU 5 N -3.54 4.06 0.64 1.80 2.96 -1.26 -5.00 118.68 118.35 1qnn s LEU 5 Ca 0.31 1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 55.27 1qnn s LEU 5 Cb -0.08 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1qnn s LEU 5 CO 0.21 -0.70 1.24 0.27 -1.32 0.00 0.00 176.35 176.06 1qnn s ILE 6 N 3.25 2.32 0.18 6.68 -4.36 -1.26 -5.00 121.20 123.01 1qnn s ILE 6 Ca 0.43 0.19 -0.19 0.00 -0.26 0.00 0.00 60.65 60.82 1qnn s ILE 6 Cb -0.14 -3.01 -0.08 0.00 1.25 0.00 0.00 42.46 40.48 1qnn s ILE 6 CO 0.09 -0.05 0.67 -0.44 0.24 0.00 0.00 174.94 175.45 1qnn s SER 7 N -1.60 7.05 0.13 4.36 0.01 -1.26 -5.04 113.70 117.35 1qnn s SER 7 Ca 0.79 1.36 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 1qnn s SER 7 Cb -0.33 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 1qnn s SER 7 CO 0.38 0.11 0.96 -0.76 0.41 0.00 0.00 173.24 174.33 1qnn s LEU 8 N -1.74 4.52 0.00 2.44 1.43 -1.26 -4.92 118.68 119.15 1qnn s LEU 8 Ca 0.39 1.81 0.06 0.00 -1.03 0.00 0.00 54.13 55.36 1qnn s LEU 8 Cb -0.18 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.80 1qnn s LEU 8 CO 0.21 -0.03 1.07 -0.81 0.23 0.00 0.00 176.35 177.01 1qnn n PRO 9 N 2.62 0.83 -4.05 1.29 -0.04 -1.26 -4.81 135.00 129.58 1qnn n PRO 9 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1qnn n PRO 9 Cb 0.49 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 1qnn n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1qnn s TYR 10 N -2.00 0.72 0.59 0.54 -0.85 -1.26 -5.16 117.35 109.93 1qnn s TYR 10 Ca 0.09 -1.03 -0.15 0.00 -0.52 0.00 0.00 57.07 55.45 1qnn s TYR 10 Cb 0.04 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1qnn s TYR 10 CO 0.07 -1.04 1.04 0.00 -1.52 0.00 0.00 175.55 174.09 1qnn s ALA 11 N -3.55 2.81 0.55 9.51 0.00 -1.26 -4.94 121.76 124.88 1qnn s ALA 11 Ca 0.27 0.31 0.26 0.00 0.00 0.00 0.00 51.96 52.79 1qnn s ALA 11 Cb 0.00 -3.20 1.46 0.00 0.00 0.00 0.00 23.12 21.38 1qnn s ALA 11 CO 0.14 -0.73 2.03 -0.39 0.00 0.00 0.00 175.76 176.81 1qnn h VAL 12 N 0.40 0.65 -0.61 0.00 -1.51 -1.97 -0.91 116.25 112.31 1qnn h VAL 12 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1qnn h VAL 12 Cb 1.21 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1qnn h VAL 12 CO 0.58 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.02 1qnn n ASP 13 N -4.17 3.81 0.23 4.19 3.85 -1.26 -4.03 116.55 119.17 1qnn n ASP 13 Ca 0.06 -2.09 0.09 0.00 -0.71 0.00 0.00 54.79 52.13 1qnn n ASP 13 Cb 0.48 -0.44 0.57 0.00 -1.35 0.00 0.00 41.12 40.39 1qnn n ASP 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1qnn h ALA 14 N 3.60 1.37 -0.38 2.12 0.00 -1.50 -3.03 119.26 121.44 1qnn h ALA 14 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qnn h ALA 14 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qnn h ALA 14 CO 0.04 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1qnn n LEU 15 N -3.87 3.07 -4.76 0.00 4.77 -1.26 -4.40 117.00 110.56 1qnn n LEU 15 Ca -0.02 -1.35 -0.37 0.00 -0.03 0.00 0.00 56.01 54.24 1qnn n LEU 15 Cb 0.29 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1qnn n LEU 15 CO 0.34 0.68 0.87 0.00 -1.33 0.00 0.00 177.39 177.94 1qnn s ALA 16 N -1.51 2.75 -1.64 -1.18 0.00 -1.03 -2.11 121.76 117.04 1qnn s ALA 16 Ca 0.38 1.05 0.26 0.00 0.00 0.00 0.00 51.96 53.65 1qnn s ALA 16 Cb 0.21 -3.45 0.75 0.00 0.00 0.00 0.00 23.12 20.63 1qnn s ALA 16 CO 0.30 -1.03 1.56 -0.35 0.00 0.00 0.00 175.76 176.24 1qnn n PRO 17 N -1.10 0.71 -0.24 0.00 -0.04 -1.26 -4.87 135.00 128.20 1qnn n PRO 17 Ca 0.11 -0.41 -0.06 0.00 -0.04 0.00 0.00 63.50 63.10 1qnn n PRO 17 Cb 0.48 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 1qnn n PRO 17 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1qnn h VAL 18 N 0.99 1.19 -3.20 0.52 2.07 -1.87 -3.36 116.25 112.59 1qnn h VAL 18 Ca 0.00 -0.39 -0.55 0.00 0.82 0.00 0.00 66.70 66.59 1qnn h VAL 18 Cb 0.50 0.24 -0.40 0.00 -1.52 0.00 0.00 31.29 30.11 1qnn h VAL 18 CO 0.00 0.19 -0.76 -0.63 0.02 0.00 0.00 177.57 176.38 1qnn s ILE 19 N -6.04 0.63 0.86 4.57 1.01 -0.90 -5.00 121.20 116.33 1qnn s ILE 19 Ca -0.13 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 1qnn s ILE 19 Cb 0.14 -1.28 0.11 0.00 0.01 0.00 0.00 42.46 41.43 1qnn s ILE 19 CO 0.77 -0.42 1.09 -0.94 0.00 0.00 0.00 174.94 175.45 1qnn s SER 20 N 1.78 3.85 0.20 3.58 1.04 -1.26 -2.46 113.70 120.43 1qnn s SER 20 Ca 0.03 1.46 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 1qnn s SER 20 Cb -0.17 -2.16 0.24 0.00 0.10 0.00 0.00 66.02 64.03 1qnn s SER 20 CO -0.17 -2.40 1.77 0.50 0.98 0.00 0.00 173.24 173.92 1qnn h LYS 21 N -1.38 0.46 -0.39 4.02 3.64 -1.88 0.44 116.57 121.49 1qnn h LYS 21 Ca -0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1qnn h LYS 21 Cb 1.28 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1qnn h LYS 21 CO 0.56 0.31 0.23 0.93 -2.27 0.00 0.00 179.45 179.20 1qnn h GLU 22 N 0.48 0.53 -0.55 1.90 3.07 -1.92 -0.98 114.58 117.11 1qnn h GLU 22 Ca 0.28 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1qnn h GLU 22 Cb 0.28 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1qnn h GLU 22 CO -0.25 0.41 0.26 1.15 -1.40 0.00 0.00 179.01 179.18 1qnn h THR 23 N 0.51 1.20 -0.81 1.13 2.02 -1.75 -1.28 112.91 113.94 1qnn h THR 23 Ca 0.14 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1qnn h THR 23 Cb 0.02 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1qnn h THR 23 CO -0.02 0.23 0.51 0.58 0.37 0.00 0.00 175.52 177.18 1qnn h VAL 24 N 0.74 1.22 -0.83 3.16 2.07 -0.65 0.57 116.25 122.52 1qnn h VAL 24 Ca 0.19 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1qnn h VAL 24 Cb 0.13 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1qnn h VAL 24 CO -0.02 0.22 0.54 -0.33 0.02 0.00 0.00 177.57 178.00 1qnn h GLU 25 N 1.10 1.03 0.12 1.57 5.08 -0.58 0.02 114.58 122.92 1qnn h GLU 25 Ca 0.29 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1qnn h GLU 25 Cb -0.07 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 28.95 1qnn h GLU 25 CO -0.06 0.68 -0.97 0.74 -1.00 0.00 0.00 179.01 178.40 1qnn h PHE 26 N 1.06 0.45 0.14 4.33 0.04 -0.76 -1.26 116.94 120.95 1qnn h PHE 26 Ca 0.32 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1qnn h PHE 26 Cb -0.03 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.10 1qnn h PHE 26 CO -0.02 1.38 -0.07 1.25 -0.60 0.00 0.00 178.31 180.25 1qnn h HIS 27 N -0.42 -0.18 0.00 -0.55 2.76 0.17 0.97 115.15 117.90 1qnn h HIS 27 Ca -0.19 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.94 1qnn h HIS 27 Cb 1.62 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.64 1qnn h HIS 27 CO 0.18 -0.05 -0.24 1.25 -1.30 0.00 0.00 177.93 177.76 1qnn h HIS 28 N -0.26 0.00 0.00 5.26 -0.00 -1.15 -1.65 115.15 117.34 1qnn h HIS 28 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 1qnn h HIS 28 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1qnn h HIS 28 CO -0.05 0.58 -0.24 0.78 -0.00 0.00 0.00 177.93 179.00 1qnn h GLY 29 N -1.00 0.00 0.00 5.26 0.00 -1.21 -3.08 103.07 103.03 1qnn h GLY 29 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1qnn h GLY 29 CO -0.03 0.00 -0.40 0.28 0.00 0.00 0.00 176.54 176.39 1qnn n LYS 30 N -3.79 0.21 0.34 4.80 4.76 -0.23 -4.43 118.16 119.83 1qnn n LYS 30 Ca -0.01 0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 1qnn n LYS 30 Cb 0.34 -0.86 -0.09 0.00 -1.84 0.00 0.00 35.03 32.59 1qnn n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qnn h HIS 31 N -0.40 -0.76 -0.69 2.13 3.86 -0.89 -1.84 115.15 116.55 1qnn h HIS 31 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1qnn h HIS 31 Cb 0.40 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 1qnn h HIS 31 CO -0.17 -0.47 0.30 1.25 0.86 0.00 0.00 177.93 179.69 1qnn h LEU 32 N -0.84 0.91 -1.09 2.43 5.85 -1.35 -1.83 115.31 119.39 1qnn h LEU 32 Ca -0.08 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1qnn h LEU 32 Cb 0.64 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1qnn h LEU 32 CO 0.14 0.80 0.61 0.50 -0.34 0.00 0.00 178.44 180.15 1qnn h LYS 33 N 0.99 1.22 -0.63 1.25 3.64 -1.44 -1.37 116.57 120.22 1qnn h LYS 33 Ca 0.24 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1qnn h LYS 33 Cb 0.16 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1qnn h LYS 33 CO -0.02 0.81 0.03 1.15 -2.27 0.00 0.00 179.45 179.15 1qnn h THR 34 N 1.25 1.27 -0.47 1.00 2.02 -0.66 0.11 112.91 117.42 1qnn h THR 34 Ca 0.34 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1qnn h THR 34 Cb -0.14 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1qnn h THR 34 CO -0.07 0.41 0.12 1.88 0.37 0.00 0.00 175.52 178.23 1qnn h TYR 35 N 0.99 0.80 -0.21 3.16 0.05 -0.88 0.14 116.97 121.02 1qnn h TYR 35 Ca 0.18 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1qnn h TYR 35 Cb 0.52 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1qnn h TYR 35 CO 0.04 0.72 0.07 0.28 -1.05 0.00 0.00 178.16 178.22 1qnn h VAL 36 N 0.64 1.19 -0.54 -2.88 2.07 -1.09 0.14 116.25 115.78 1qnn h VAL 36 Ca 0.15 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1qnn h VAL 36 Cb 0.32 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1qnn h VAL 36 CO 0.00 0.19 0.36 0.44 0.02 0.00 0.00 177.57 178.58 1qnn h ASP 37 N 0.18 0.62 -0.26 0.57 3.45 -0.80 -0.91 116.42 119.26 1qnn h ASP 37 Ca 0.07 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1qnn h ASP 37 Cb 0.23 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1qnn h ASP 37 CO -0.00 0.45 0.07 0.78 -1.57 0.00 0.00 179.24 178.98 1qnn h ASN 38 N 0.74 0.39 -0.26 6.45 -0.26 -0.60 -2.49 115.58 119.54 1qnn h ASN 38 Ca 0.20 -0.22 0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1qnn h ASN 38 Cb -0.08 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.03 1qnn h ASN 38 CO -0.04 0.51 -0.05 0.25 -1.06 0.00 0.00 177.43 177.04 1qnn h LEU 39 N 0.26 -0.21 -1.89 1.61 5.85 -0.67 -0.34 115.31 119.92 1qnn h LEU 39 Ca 0.08 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1qnn h LEU 39 Cb 0.26 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1qnn h LEU 39 CO -0.00 -0.07 0.17 0.78 -0.34 0.00 0.00 178.44 178.98 1qnn h ASN 40 N 0.02 0.12 0.03 1.25 2.35 -1.07 -2.31 115.58 115.97 1qnn h ASN 40 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1qnn h ASN 40 Cb 0.18 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1qnn h ASN 40 CO -0.25 0.08 -0.02 0.11 -1.65 0.00 0.00 177.43 175.70 1qnn h LYS 41 N 0.14 -0.05 0.00 0.81 1.57 -0.80 -3.36 116.57 114.88 1qnn h LYS 41 Ca 0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1qnn h LYS 41 Cb 0.26 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1qnn h LYS 41 CO -0.02 0.60 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.09 1qnn h LEU 42 N -0.77 0.00 -0.10 2.94 3.38 -0.83 -3.10 115.31 116.83 1qnn h LEU 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qnn h LEU 42 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1qnn h LEU 42 CO 0.01 0.30 -0.08 2.30 0.09 0.00 0.00 178.44 181.06 1qnn n ILE 43 N -4.15 0.00 -1.91 1.22 -5.35 -0.90 -4.81 119.36 103.46 1qnn n ILE 43 Ca -0.02 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 1qnn n ILE 43 Cb 0.35 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 1qnn n ILE 43 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1qnn s ILE 44 N -2.61 2.57 -0.61 7.28 1.01 -1.18 -2.15 121.20 125.52 1qnn s ILE 44 Ca 0.26 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1qnn s ILE 44 Cb 0.20 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1qnn s ILE 44 CO 0.49 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1qnn n GLY 45 N 3.79 0.62 3.50 6.18 0.00 -1.26 -5.03 105.19 112.99 1qnn n GLY 45 Ca 0.14 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1qnn n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qnn s THR 46 N -2.25 1.08 -0.59 2.61 -4.23 -0.92 -5.02 115.64 106.33 1qnn s THR 46 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1qnn s THR 46 Cb 0.00 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.37 1qnn s THR 46 CO 0.00 0.00 1.53 -1.84 -0.54 0.00 0.00 174.62 173.77 1qnn n GLU 47 N -0.81 0.11 0.00 3.99 0.28 -1.26 -2.01 120.64 120.94 1qnn n GLU 47 Ca -0.05 0.46 0.13 0.00 -0.16 0.00 0.00 57.16 57.54 1qnn n GLU 47 Cb 0.66 -1.76 0.26 0.00 1.43 0.00 0.00 31.44 32.03 1qnn n GLU 47 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1qnn n PHE 48 N -1.98 0.00 -0.30 -1.84 3.72 -1.26 -4.47 117.46 111.33 1qnn n PHE 48 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1qnn n PHE 48 Cb 0.12 -0.02 0.29 0.00 -0.94 0.00 0.00 39.48 38.93 1qnn n PHE 48 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1qnn h GLU 49 N 2.92 0.33 -0.26 -1.08 4.81 -1.40 -2.05 114.58 117.85 1qnn h GLU 49 Ca 0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1qnn h GLU 49 Cb 0.71 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 29.89 1qnn h GLU 49 CO 0.00 0.22 -0.47 0.09 -0.73 0.00 0.00 179.01 178.12 1qnn n ASN 50 N -5.10 2.73 -4.94 1.04 4.13 -1.26 0.21 115.26 112.07 1qnn n ASN 50 Ca 0.21 -3.85 -0.27 0.00 1.68 0.00 0.00 54.58 52.35 1qnn n ASN 50 Cb 0.65 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 1qnn n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qnn s ALA 51 N -3.34 3.92 0.50 5.41 0.00 -0.77 -4.73 121.76 122.74 1qnn s ALA 51 Ca 0.43 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1qnn s ALA 51 Cb 0.39 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 1qnn s ALA 51 CO -0.03 0.51 0.95 0.16 0.00 0.00 0.00 175.76 177.35 1qnn s ASP 52 N -3.18 6.58 0.31 0.00 1.47 -1.26 -4.70 116.67 115.89 1qnn s ASP 52 Ca 0.36 1.48 0.07 0.00 1.18 0.00 0.00 52.55 55.64 1qnn s ASP 52 Cb -0.11 -2.47 0.83 0.00 -0.34 0.00 0.00 42.92 40.82 1qnn s ASP 52 CO 0.29 -0.57 1.69 0.25 0.68 0.00 0.00 175.17 177.51 1qnn h LEU 53 N 0.91 0.38 -0.75 2.11 5.85 -1.98 -1.28 115.31 120.55 1qnn h LEU 53 Ca -0.47 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1qnn h LEU 53 Cb 1.19 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1qnn h LEU 53 CO 0.62 -0.03 0.41 0.78 -0.34 0.00 0.00 178.44 179.88 1qnn h ASN 54 N 0.39 0.94 -0.42 1.25 -0.26 -1.97 -1.19 115.58 114.32 1qnn h ASN 54 Ca 0.61 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 56.21 1qnn h ASN 54 Cb 1.22 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.22 1qnn h ASN 54 CO -0.55 0.77 0.09 0.74 -1.06 0.00 0.00 177.43 177.41 1qnn h THR 55 N 1.04 1.24 -0.49 2.81 2.02 -1.62 -1.38 112.91 116.52 1qnn h THR 55 Ca 0.26 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1qnn h THR 55 Cb 0.04 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1qnn h THR 55 CO -0.04 0.29 0.27 0.40 0.37 0.00 0.00 175.52 176.81 1qnn h ILE 56 N 0.54 1.00 -0.18 3.11 2.04 -1.13 -0.16 117.51 122.72 1qnn h ILE 56 Ca 0.13 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1qnn h ILE 56 Cb 0.34 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1qnn h ILE 56 CO 0.00 0.10 -0.13 0.58 0.00 0.00 0.00 178.15 178.70 1qnn h VAL 57 N 0.53 1.19 0.01 1.67 2.07 -0.97 0.11 116.25 120.86 1qnn h VAL 57 Ca 0.21 -0.84 -0.20 0.00 0.82 0.00 0.00 66.70 66.68 1qnn h VAL 57 Cb 0.08 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1qnn h VAL 57 CO -0.13 0.27 -0.95 1.56 0.02 0.00 0.00 177.57 178.34 1qnn h GLN 58 N 0.28 0.04 0.00 1.57 4.20 -0.37 -3.39 115.11 117.43 1qnn h GLN 58 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qnn h GLN 58 Cb 0.40 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1qnn h GLN 58 CO 0.02 0.95 -1.15 1.63 -0.67 0.00 0.00 178.83 179.62 1qnn n LYS 59 N -3.46 1.42 -2.10 1.46 5.02 -0.16 -4.94 118.16 115.42 1qnn n LYS 59 Ca -0.01 -0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 1qnn n LYS 59 Cb 0.89 -1.16 0.12 0.00 -0.02 0.00 0.00 35.03 34.85 1qnn n LYS 59 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qnn s SER 60 N -2.80 4.08 0.25 4.39 1.04 0.37 -5.07 113.70 115.98 1qnn s SER 60 Ca -0.01 0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.68 1qnn s SER 60 Cb 0.07 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 1qnn s SER 60 CO 0.43 -2.10 0.40 -1.61 0.98 0.00 0.00 173.24 171.34 1qnn s GLU 61 N -5.53 1.54 4.94 4.02 2.02 -1.26 -4.73 118.70 119.69 1qnn s GLU 61 Ca 0.66 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1qnn s GLU 61 Cb -0.08 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1qnn s GLU 61 CO 0.48 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1qnn n GLY 62 N -0.39 1.95 0.36 -1.39 0.00 -1.26 -2.94 105.19 101.53 1qnn n GLY 62 Ca -0.00 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.60 1qnn n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qnn h GLY 63 N 0.00 1.20 0.92 -0.02 0.00 -2.00 -0.88 103.07 102.30 1qnn h GLY 63 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1qnn h GLY 63 CO 0.00 0.19 0.11 -2.22 0.00 0.00 0.00 176.54 174.63 1qnn h ILE 64 N 0.83 1.21 -0.61 2.60 2.04 -1.94 -2.13 117.51 119.51 1qnn h ILE 64 Ca 0.40 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1qnn h ILE 64 Cb 0.42 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1qnn h ILE 64 CO -0.16 0.24 0.09 0.15 0.00 0.00 0.00 178.15 178.46 1qnn h PHE 65 N 0.44 1.05 -0.58 1.37 3.57 -1.26 0.10 116.94 121.63 1qnn h PHE 65 Ca 0.12 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1qnn h PHE 65 Cb 0.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1qnn h PHE 65 CO 0.01 0.90 0.30 -0.91 -2.23 0.00 0.00 178.31 176.37 1qnn h ASN 66 N 0.94 0.75 0.67 0.41 2.35 -0.95 0.48 115.58 120.23 1qnn h ASN 66 Ca 0.19 -0.11 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 1qnn h ASN 66 Cb 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1qnn h ASN 66 CO 0.01 0.65 -1.23 0.78 -1.65 0.00 0.00 177.43 176.00 1qnn h ASN 67 N 0.79 0.37 -0.11 5.81 4.21 -1.27 -2.53 115.58 122.85 1qnn h ASN 67 Ca 0.20 -0.40 -0.03 0.00 1.21 0.00 0.00 56.30 57.29 1qnn h ASN 67 Cb 0.09 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1qnn h ASN 67 CO -0.03 1.31 -0.04 0.00 -1.29 0.00 0.00 177.43 177.38 1qnn h ALA 68 N 0.63 0.15 -0.43 -0.83 0.00 -0.66 -1.29 119.26 116.84 1qnn h ALA 68 Ca -0.12 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1qnn h ALA 68 Cb 1.95 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1qnn h ALA 68 CO 0.19 -0.09 0.23 0.78 0.00 0.00 0.00 179.25 180.37 1qnn h GLY 69 N -0.13 0.59 1.77 0.00 0.00 -0.13 -1.20 103.07 103.98 1qnn h GLY 69 Ca 0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1qnn h GLY 69 CO 0.01 0.13 -0.19 1.46 0.00 0.00 0.00 176.54 177.95 1qnn h GLN 70 N 0.46 0.27 -0.03 4.80 1.08 -1.42 -0.56 115.11 119.72 1qnn h GLN 70 Ca 0.18 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1qnn h GLN 70 Cb 0.05 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1qnn h GLN 70 CO -0.11 0.46 -0.01 1.15 -0.95 0.00 0.00 178.83 179.38 1qnn h THR 71 N 0.25 1.32 -0.43 -0.54 2.02 -0.63 -1.44 112.91 113.46 1qnn h THR 71 Ca 0.05 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1qnn h THR 71 Cb 0.49 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1qnn h THR 71 CO 0.03 0.26 0.25 0.25 0.37 0.00 0.00 175.52 176.68 1qnn h LEU 72 N -0.32 0.53 -0.28 2.58 5.85 -1.10 -0.44 115.31 122.13 1qnn h LEU 72 Ca 0.01 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1qnn h LEU 72 Cb 0.42 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1qnn h LEU 72 CO 0.00 0.45 0.02 0.78 -0.34 0.00 0.00 178.44 179.35 1qnn h ASN 73 N 0.57 -0.08 0.11 1.25 2.35 -1.06 -2.04 115.58 116.68 1qnn h ASN 73 Ca 0.15 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.80 1qnn h ASN 73 Cb 0.02 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1qnn h ASN 73 CO -0.03 -0.01 -0.59 0.45 -1.65 0.00 0.00 177.43 175.60 1qnn h HIS 74 N 0.10 0.62 -0.83 1.19 3.86 -1.10 -1.21 115.15 117.78 1qnn h HIS 74 Ca 0.13 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1qnn h HIS 74 Cb 0.17 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1qnn h HIS 74 CO -0.20 0.96 0.55 -0.91 0.86 0.00 0.00 177.93 179.19 1qnn h ASN 75 N 0.36 0.95 0.18 2.45 4.21 -0.76 -0.73 115.58 122.24 1qnn h ASN 75 Ca -0.00 -0.02 -0.18 0.00 1.21 0.00 0.00 56.30 57.30 1qnn h ASN 75 Cb 1.14 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.10 1qnn h ASN 75 CO 0.11 0.68 -0.71 -0.07 -1.29 0.00 0.00 177.43 176.15 1qnn h LEU 76 N 1.12 0.55 0.54 1.61 3.38 -1.28 -3.12 115.31 118.12 1qnn h LEU 76 Ca 0.31 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1qnn h LEU 76 Cb -0.12 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1qnn h LEU 76 CO -0.07 1.09 -0.26 0.22 0.09 0.00 0.00 178.44 179.51 1qnn h TYR 77 N 0.33 -0.68 -0.24 1.13 3.20 -0.71 -3.01 116.97 116.99 1qnn h TYR 77 Ca -0.03 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1qnn h TYR 77 Cb 1.28 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1qnn h TYR 77 CO 0.05 -0.37 -0.05 0.74 -1.64 0.00 0.00 178.16 176.89 1qnn h PHE 78 N -0.86 0.39 0.00 -3.82 0.05 -1.26 -2.84 116.94 108.60 1qnn h PHE 78 Ca -0.07 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.68 1qnn h PHE 78 Cb 0.61 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.45 1qnn h PHE 78 CO -0.01 0.44 -0.06 0.25 -0.18 0.00 0.00 178.31 178.75 1qnn n THR 79 N -4.29 0.02 1.29 -1.55 -2.24 -1.18 -3.65 114.28 102.68 1qnn n THR 79 Ca 0.00 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1qnn n THR 79 Cb 0.25 -0.42 0.45 0.00 -2.10 0.00 0.00 70.33 68.50 1qnn n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qnn n GLN 80 N -1.53 0.78 -4.06 -0.78 10.64 -1.07 -4.92 117.38 116.43 1qnn n GLN 80 Ca 0.07 -0.41 -0.27 0.00 -1.83 0.00 0.00 57.00 54.55 1qnn n GLN 80 Cb 0.34 -1.49 -0.06 0.00 -0.86 0.00 0.00 30.24 28.18 1qnn n GLN 80 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1qnn s PHE 81 N -2.50 3.18 -0.12 2.61 0.08 -1.24 -0.87 117.98 119.12 1qnn s PHE 81 Ca 0.25 0.02 -0.29 0.00 0.12 0.00 0.00 56.93 57.03 1qnn s PHE 81 Cb 0.19 -1.55 0.08 0.00 -0.57 0.00 0.00 43.02 41.17 1qnn s PHE 81 CO 0.51 0.52 0.75 1.03 -0.10 0.00 0.00 175.22 177.93 1qnn s ARG 82 N -2.92 0.92 0.41 0.44 1.81 0.83 -4.80 118.95 115.64 1qnn s ARG 82 Ca 0.31 0.39 -0.17 0.00 -1.72 0.00 0.00 55.73 54.55 1qnn s ARG 82 Cb -0.11 0.44 -0.09 0.00 -0.45 0.00 0.00 34.95 34.74 1qnn s ARG 82 CO 0.23 -0.25 0.86 -1.25 -0.68 0.00 0.00 175.30 174.21 1qnn s PRO 83 N -0.82 4.03 -0.57 3.54 0.04 -1.26 -3.85 135.00 136.12 1qnn s PRO 83 Ca -0.07 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1qnn s PRO 83 Cb -0.01 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1qnn s PRO 83 CO 0.06 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1qnn n GLY 84 N -0.83 0.79 0.00 0.56 0.00 -1.26 -4.97 105.19 99.48 1qnn n GLY 84 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1qnn n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnn n LYS 85 N -2.79 0.00 0.00 1.61 4.76 -1.25 -5.08 118.16 115.40 1qnn n LYS 85 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1qnn n LYS 85 Cb 0.18 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1qnn n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qnn n GLY 86 N 5.00 0.02 3.43 0.72 0.00 -0.01 -4.88 105.19 109.46 1qnn n GLY 86 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1qnn n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnn n GLY 87 N 0.00 0.50 3.33 -0.02 0.00 -1.26 -4.69 105.19 103.06 1qnn n GLY 87 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1qnn n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qnn s ALA 88 N -1.88 1.95 0.57 4.61 0.00 -1.26 -5.01 121.76 120.74 1qnn s ALA 88 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 1qnn s ALA 88 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1qnn s ALA 88 CO 0.00 0.13 1.03 -1.25 0.00 0.00 0.00 175.76 175.67 1qnn s PRO 89 N -3.25 3.54 0.33 0.00 0.04 -1.26 -4.94 135.00 129.46 1qnn s PRO 89 Ca 0.19 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1qnn s PRO 89 Cb -0.03 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1qnn s PRO 89 CO 0.06 -0.62 0.14 0.36 0.04 0.00 0.00 177.00 176.98 1qnn n LYS 90 N -1.89 0.60 0.00 4.56 2.85 -1.26 -4.39 118.16 118.63 1qnn n LYS 90 Ca 0.08 -2.86 0.00 0.00 -1.05 0.00 0.00 58.31 54.48 1qnn n LYS 90 Cb 0.53 1.66 0.00 0.00 -0.65 0.00 0.00 35.03 36.58 1qnn n LYS 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qnn n GLY 91 N -0.32 -0.06 0.26 2.58 0.00 -1.26 -2.45 105.19 103.95 1qnn n GLY 91 Ca -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1qnn n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qnn h LYS 92 N 0.00 0.79 0.00 1.61 2.10 -1.98 -1.01 116.57 118.09 1qnn h LYS 92 Ca 0.00 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1qnn h LYS 92 Cb 0.00 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 31.14 1qnn h LYS 92 CO 0.00 0.52 -0.07 1.25 -2.00 0.00 0.00 179.45 179.16 1qnn h LEU 93 N 0.82 -0.19 -1.21 7.07 5.85 -1.92 0.79 115.31 126.51 1qnn h LEU 93 Ca 0.27 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1qnn h LEU 93 Cb 0.03 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1qnn h LEU 93 CO -0.11 -0.10 0.56 1.23 -0.34 0.00 0.00 178.44 179.67 1qnn h GLY 94 N -0.12 1.21 0.89 3.75 0.00 -1.23 0.33 103.07 107.90 1qnn h GLY 94 Ca 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1qnn h GLY 94 CO -0.07 0.31 0.06 -2.09 0.00 0.00 0.00 176.54 174.74 1qnn h GLU 95 N 0.98 0.47 -0.78 4.80 4.57 0.12 -2.49 114.58 122.25 1qnn h GLU 95 Ca 0.35 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1qnn h GLU 95 Cb 0.15 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1qnn h GLU 95 CO -0.12 0.57 0.36 0.00 -1.18 0.00 0.00 179.01 178.63 1qnn h ALA 96 N 0.88 1.15 -0.61 2.92 0.00 0.15 -0.35 119.26 123.41 1qnn h ALA 96 Ca 0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1qnn h ALA 96 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qnn h ALA 96 CO 0.00 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.78 1qnn h ILE 97 N 1.12 1.26 -0.07 0.00 2.04 -0.84 0.97 117.51 121.99 1qnn h ILE 97 Ca 0.27 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1qnn h ILE 97 Cb 0.14 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1qnn h ILE 97 CO -0.03 0.38 -0.05 0.44 0.00 0.00 0.00 178.15 178.89 1qnn h ASP 98 N 0.94 0.16 -0.87 1.72 3.32 -1.12 0.29 116.42 120.86 1qnn h ASP 98 Ca 0.18 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1qnn h ASP 98 Cb 0.44 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1qnn h ASP 98 CO 0.01 0.58 0.56 0.50 -1.72 0.00 0.00 179.24 179.18 1qnn h LYS 99 N -0.27 1.06 0.00 3.56 3.64 -0.91 0.20 116.57 123.85 1qnn h LYS 99 Ca 0.01 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1qnn h LYS 99 Cb 0.53 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1qnn h LYS 99 CO 0.01 0.70 -1.52 1.04 -2.27 0.00 0.00 179.45 177.41 1qnn n GLN 100 N -4.54 0.63 0.00 1.90 6.02 0.32 -4.43 117.38 117.29 1qnn n GLN 100 Ca 0.11 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.13 1qnn n GLN 100 Cb 0.09 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.66 1qnn n GLN 100 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1qnn n PHE 101 N -2.56 0.00 0.00 1.08 3.72 0.10 -5.01 117.46 114.79 1qnn n PHE 101 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1qnn n PHE 101 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1qnn n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qnn n GLY 102 N 0.48 2.48 3.59 1.37 0.00 0.70 -4.53 105.19 109.28 1qnn n GLY 102 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1qnn n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qnn s SER 103 N 0.00 -0.32 0.19 1.61 1.04 -1.25 -4.78 113.70 110.18 1qnn s SER 103 Ca 0.00 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.19 1qnn s SER 103 Cb 0.00 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1qnn s SER 103 CO 0.00 -0.77 1.67 0.15 0.98 0.00 0.00 173.24 175.28 1qnn h PHE 104 N 2.00 1.16 -0.72 5.02 3.57 -1.90 -1.91 116.94 124.17 1qnn h PHE 104 Ca -0.24 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 1qnn h PHE 104 Cb 1.24 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1qnn h PHE 104 CO 0.30 0.99 0.33 0.93 -2.23 0.00 0.00 178.31 178.62 1qnn h GLU 105 N 1.00 1.03 -0.40 1.11 4.39 -1.96 -0.54 114.58 119.22 1qnn h GLU 105 Ca 0.19 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1qnn h GLU 105 Cb 0.47 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1qnn h GLU 105 CO 0.02 0.81 -0.28 -0.22 -1.16 0.00 0.00 179.01 178.18 1qnn h LYS 106 N 1.02 0.85 -0.64 2.33 3.64 -1.82 -2.50 116.57 119.45 1qnn h LYS 106 Ca 0.25 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1qnn h LYS 106 Cb 0.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1qnn h LYS 106 CO -0.03 1.02 0.42 0.35 -2.27 0.00 0.00 179.45 178.94 1qnn h PHE 107 N 0.72 0.79 0.10 1.91 3.57 -0.58 -2.29 116.94 121.16 1qnn h PHE 107 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1qnn h PHE 107 Cb 0.82 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1qnn h PHE 107 CO 0.05 0.48 -0.05 0.87 -2.23 0.00 0.00 178.31 177.43 1qnn h LYS 108 N 0.84 -0.12 -0.09 1.11 1.57 -0.86 0.47 116.57 119.48 1qnn h LYS 108 Ca 0.24 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1qnn h LYS 108 Cb -0.06 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1qnn h LYS 108 CO -0.07 0.03 -0.01 1.05 -0.57 0.00 0.00 179.45 179.89 1qnn h GLU 109 N -0.26 0.13 -0.14 3.15 4.11 -1.39 0.66 114.58 120.84 1qnn h GLU 109 Ca -0.01 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.19 1qnn h GLU 109 Cb 0.22 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1qnn h GLU 109 CO 0.02 0.15 -0.77 1.49 0.07 0.00 0.00 179.01 179.98 1qnn h GLU 110 N 0.13 0.70 -0.17 1.06 4.81 -1.12 -0.88 114.58 119.11 1qnn h GLU 110 Ca 0.03 -0.57 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 1qnn h GLU 110 Cb 0.10 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1qnn h GLU 110 CO 0.00 1.18 -0.41 0.35 -0.73 0.00 0.00 179.01 179.41 1qnn h PHE 111 N 0.48 0.74 -0.56 0.92 3.04 -0.01 -2.43 116.94 119.11 1qnn h PHE 111 Ca -0.05 -0.28 -0.00 0.00 3.98 0.00 0.00 57.97 61.62 1qnn h PHE 111 Cb 1.38 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.73 1qnn h PHE 111 CO 0.08 1.04 0.34 -0.91 -2.02 0.00 0.00 178.31 176.83 1qnn h ASN 112 N 0.23 0.68 -0.76 0.41 2.35 0.28 -2.06 115.58 116.71 1qnn h ASN 112 Ca -0.00 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1qnn h ASN 112 Cb 1.02 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1qnn h ASN 112 CO 0.09 0.54 0.31 0.74 -1.65 0.00 0.00 177.43 177.46 1qnn h THR 113 N 0.76 1.26 -0.63 2.81 2.02 -1.17 -0.83 112.91 117.13 1qnn h THR 113 Ca 0.20 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1qnn h THR 113 Cb -0.01 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1qnn h THR 113 CO -0.04 0.33 0.21 0.00 0.37 0.00 0.00 175.52 176.38 1qnn h ALA 114 N 1.16 1.18 -0.42 6.16 0.00 -1.16 -1.75 119.26 124.43 1qnn h ALA 114 Ca 0.25 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1qnn h ALA 114 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qnn h ALA 114 CO -0.02 0.58 -0.33 0.78 0.00 0.00 0.00 179.25 180.26 1qnn h GLY 115 N 1.03 1.03 2.00 0.00 0.00 -0.80 -2.89 103.07 103.43 1qnn h GLY 115 Ca 0.21 -1.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1qnn h GLY 115 CO -0.01 0.90 -0.48 -0.91 0.00 0.00 0.00 176.54 176.04 1qnn h THR 116 N 0.79 1.05 -0.01 4.70 1.35 -0.97 -3.20 112.91 116.63 1qnn h THR 116 Ca 0.08 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1qnn h THR 116 Cb 0.91 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1qnn h THR 116 CO 0.08 0.47 -0.30 0.35 -0.25 0.00 0.00 175.52 175.88 1qnn n THR 117 N -3.54 0.00 -2.16 6.82 -2.24 -0.68 -4.83 114.28 107.67 1qnn n THR 117 Ca -0.00 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1qnn n THR 117 Cb 0.59 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 1qnn n THR 117 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1qnn s LEU 118 N -2.60 3.70 -0.01 3.22 1.98 -1.10 -4.96 118.68 118.91 1qnn s LEU 118 Ca 0.22 1.31 -0.29 0.00 -2.89 0.00 0.00 54.13 52.48 1qnn s LEU 118 Cb 0.19 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.48 1qnn s LEU 118 CO 0.55 -1.42 0.95 0.12 -1.89 0.00 0.00 176.35 174.66 1qnn s PHE 119 N 5.70 3.64 0.00 5.38 5.36 -1.26 -4.82 117.98 131.98 1qnn s PHE 119 Ca 0.71 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 58.31 1qnn s PHE 119 Cb -0.21 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1qnn s PHE 119 CO 0.31 -0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.47 1qnn n GLY 120 N 2.94 -1.06 3.84 13.12 0.00 -1.26 -4.90 105.19 117.87 1qnn n GLY 120 Ca 0.05 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1qnn n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qnn s SER 121 N -4.00 6.82 0.00 1.61 0.01 -1.26 -4.82 113.70 112.06 1qnn s SER 121 Ca 0.00 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1qnn s SER 121 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1qnn s SER 121 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1qnn n GLY 122 N 0.05 -1.46 3.09 3.44 0.00 -1.26 -1.14 105.19 107.91 1qnn n GLY 122 Ca 0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 1qnn n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qnn s TRP 123 N -2.76 0.74 -0.12 1.61 0.52 0.12 -1.26 118.94 117.79 1qnn s TRP 123 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.53 1qnn s TRP 123 Cb 0.00 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.88 1qnn s TRP 123 CO 0.00 -0.10 -0.22 0.54 0.02 0.00 0.00 176.95 177.19 1qnn s VAL 124 N -2.01 2.14 -0.00 4.03 0.11 -0.78 -0.25 120.40 123.64 1qnn s VAL 124 Ca -0.04 -0.97 0.07 0.00 -2.93 0.00 0.00 61.98 58.11 1qnn s VAL 124 Cb -0.06 -1.84 -0.02 0.00 -1.53 0.00 0.00 36.38 32.94 1qnn s VAL 124 CO -0.01 0.55 -0.22 0.26 -3.33 0.00 0.00 175.10 172.35 1qnn s TRP 125 N 0.57 1.99 -0.23 1.54 0.52 0.14 -1.14 118.94 122.33 1qnn s TRP 125 Ca -0.13 -0.38 -0.14 0.00 0.02 0.00 0.00 56.10 55.48 1qnn s TRP 125 Cb -0.17 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1qnn s TRP 125 CO 0.04 0.00 0.31 -1.17 0.02 0.00 0.00 176.95 176.14 1qnn s LEU 126 N -0.70 4.11 0.20 2.99 2.96 0.83 -0.31 118.68 128.77 1qnn s LEU 126 Ca 0.09 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1qnn s LEU 126 Cb -0.09 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 1qnn s LEU 126 CO -0.00 -0.06 -0.11 0.00 -1.32 0.00 0.00 176.35 174.87 1qnn s ALA 127 N 1.43 1.92 0.03 5.97 0.00 -0.18 -0.45 121.76 130.48 1qnn s ALA 127 Ca 0.14 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.47 1qnn s ALA 127 Cb -0.15 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1qnn s ALA 127 CO 0.08 -0.02 -0.11 -1.54 0.00 0.00 0.00 175.76 174.17 1qnn s SER 128 N -3.30 1.26 0.64 0.00 1.04 -0.41 -1.40 113.70 111.52 1qnn s SER 128 Ca 0.23 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1qnn s SER 128 Cb 0.01 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.15 1qnn s SER 128 CO 0.06 -0.01 0.61 -0.90 0.98 0.00 0.00 173.24 173.98 1qnn n ASP 129 N 2.06 0.71 0.16 7.02 5.68 -0.69 -0.61 116.55 130.88 1qnn n ASP 129 Ca -0.18 -1.63 0.12 0.00 -0.50 0.00 0.00 54.79 52.60 1qnn n ASP 129 Cb 0.55 -0.40 0.58 0.00 -1.14 0.00 0.00 41.12 40.71 1qnn n ASP 129 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qnn n ALA 130 N -3.01 1.23 0.59 2.12 0.00 -1.26 -1.61 120.51 118.57 1qnn n ALA 130 Ca -0.10 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1qnn n ALA 130 Cb 0.35 -1.35 0.13 0.00 0.00 0.00 0.00 19.45 18.58 1qnn n ALA 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qnn n ASN 131 N -2.29 2.98 0.00 0.00 3.02 -1.26 -4.96 115.26 112.75 1qnn n ASN 131 Ca -0.00 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1qnn n ASN 131 Cb 0.10 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1qnn n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qnn n GLY 132 N 1.23 0.59 3.73 7.41 0.00 -0.64 -5.03 105.19 112.47 1qnn n GLY 132 Ca 0.14 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1qnn n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qnn s LYS 133 N -0.83 4.67 0.26 1.61 2.20 -1.26 -4.79 119.74 121.59 1qnn s LYS 133 Ca 0.00 1.43 -0.02 0.00 -0.36 0.00 0.00 55.97 57.01 1qnn s LYS 133 Cb 0.00 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1qnn s LYS 133 CO 0.00 0.19 0.48 -0.51 -0.36 0.00 0.00 175.35 175.15 1qnn s LEU 134 N 0.11 4.13 -0.07 5.43 1.43 -1.26 -1.71 118.68 126.75 1qnn s LEU 134 Ca 0.47 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 53.88 1qnn s LEU 134 Cb -0.23 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1qnn s LEU 134 CO 0.29 -0.14 0.53 -0.94 0.23 0.00 0.00 176.35 176.33 1qnn s SER 135 N -3.26 -0.48 -0.29 2.29 1.04 -0.49 -4.99 113.70 107.52 1qnn s SER 135 Ca 0.41 0.57 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 1qnn s SER 135 Cb -0.11 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 1qnn s SER 135 CO 0.30 -0.48 0.21 -0.63 0.98 0.00 0.00 173.24 173.61 1qnn s ILE 136 N -0.98 5.30 -0.18 -1.02 1.01 -1.26 -1.01 121.20 123.06 1qnn s ILE 136 Ca -0.10 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1qnn s ILE 136 Cb -0.02 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1qnn s ILE 136 CO 0.06 0.22 -0.02 -1.61 0.00 0.00 0.00 174.94 173.59 1qnn s GLU 137 N 1.78 3.64 -0.29 2.79 0.41 0.58 -4.95 118.70 122.66 1qnn s GLU 137 Ca 0.07 -0.52 -0.15 0.00 -0.41 0.00 0.00 54.97 53.96 1qnn s GLU 137 Cb -0.16 -3.00 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 1qnn s GLU 137 CO 0.11 0.12 0.38 0.15 -0.49 0.00 0.00 175.26 175.53 1qnn s LYS 138 N 0.69 3.90 -0.28 1.61 1.02 -1.26 -0.68 119.74 124.75 1qnn s LYS 138 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1qnn s LYS 138 Cb -0.14 -3.69 0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1qnn s LYS 138 CO 0.02 -0.35 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.84 1qnn s GLU 139 N 2.08 2.44 0.39 1.68 0.41 0.65 -4.99 118.70 121.35 1qnn s GLU 139 Ca 0.14 -1.24 -0.26 0.00 -0.41 0.00 0.00 54.97 53.20 1qnn s GLU 139 Cb -0.16 -3.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.07 1qnn s GLU 139 CO 0.11 -0.56 1.21 -2.14 -0.49 0.00 0.00 175.26 173.38 1qnn s PRO 140 N 1.21 4.10 5.21 0.39 0.02 -1.26 0.13 135.00 144.80 1qnn s PRO 140 Ca -0.06 1.94 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1qnn s PRO 140 Cb -0.19 -2.77 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1qnn s PRO 140 CO -0.03 -0.31 0.00 0.09 -0.33 0.00 0.00 177.00 176.42 1qnn n ASN 141 N 0.23 0.00 -1.05 2.53 3.02 -0.30 -2.26 115.26 117.44 1qnn n ASN 141 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.66 1qnn n ASN 141 Cb 0.45 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.87 1qnn n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qnn n ALA 142 N 10.66 2.55 -1.72 5.41 0.00 -1.26 -4.32 120.51 131.82 1qnn n ALA 142 Ca 0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 53.44 52.08 1qnn n ALA 142 Cb 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.54 1qnn n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qnn n GLY 143 N 1.24 0.50 3.29 0.00 0.00 -0.96 -4.11 105.19 105.15 1qnn n GLY 143 Ca 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1qnn n GLY 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnn s ASN 144 N -1.34 -0.45 0.59 1.61 3.84 -1.26 -4.81 114.94 113.12 1qnn s ASN 144 Ca 0.82 0.84 0.28 0.00 0.21 0.00 0.00 52.86 55.00 1qnn s ASN 144 Cb -0.39 0.81 1.53 0.00 -0.55 0.00 0.00 41.25 42.65 1qnn s ASN 144 CO 0.41 -0.16 1.84 -0.65 -2.79 0.00 0.00 177.10 175.76 1qnn h PRO 145 N 5.96 0.00 0.00 0.43 0.11 -1.96 -1.73 132.00 134.80 1qnn h PRO 145 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1qnn h PRO 145 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qnn h PRO 145 CO 0.26 0.00 -0.02 -0.39 -0.21 0.00 0.00 178.00 177.64 1qnn h VAL 146 N 0.00 0.09 0.00 3.15 -1.51 -1.93 -0.19 116.25 115.87 1qnn h VAL 146 Ca 0.00 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1qnn h VAL 146 Cb 0.56 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1qnn h VAL 146 CO 0.00 0.02 -0.08 -0.09 -1.23 0.00 0.00 177.57 176.19 1qnn h ARG 147 N 0.00 0.00 -0.48 5.19 2.43 -1.58 -1.21 114.38 118.73 1qnn h ARG 147 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qnn h ARG 147 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1qnn h ARG 147 CO 0.00 0.08 0.00 1.63 -1.51 0.00 0.00 179.97 180.18 1qnn n LYS 148 N -3.32 2.54 -0.93 0.20 5.02 -0.18 -4.93 118.16 116.56 1qnn n LYS 148 Ca -0.01 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1qnn n LYS 148 Cb 0.27 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1qnn n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnn n GLY 149 N 1.45 0.49 3.97 0.72 0.00 -0.46 -5.04 105.19 106.32 1qnn n GLY 149 Ca 0.20 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1qnn n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qnn s LEU 150 N 0.00 4.05 -0.37 0.99 1.43 -0.64 -4.83 118.68 119.31 1qnn s LEU 150 Ca 0.00 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1qnn s LEU 150 Cb 0.00 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1qnn s LEU 150 CO 0.00 -0.33 0.36 0.21 0.23 0.00 0.00 176.35 176.82 1qnn s ASN 151 N -4.10 6.16 -0.07 2.29 2.47 0.22 -3.32 114.94 118.59 1qnn s ASN 151 Ca 0.41 -0.47 -0.30 0.00 0.42 0.00 0.00 52.86 52.93 1qnn s ASN 151 Cb -0.09 -2.19 -0.03 0.00 -1.45 0.00 0.00 41.25 37.48 1qnn s ASN 151 CO 0.32 -0.41 1.22 -2.16 -3.72 0.00 0.00 177.10 172.35 1qnn s PRO 152 N 1.97 4.33 -0.23 0.43 0.05 -1.26 -1.28 135.00 139.00 1qnn s PRO 152 Ca 0.10 1.68 -0.11 0.00 0.05 0.00 0.00 61.00 62.73 1qnn s PRO 152 Cb -0.17 -3.59 -0.10 0.00 0.05 0.00 0.00 34.50 30.68 1qnn s PRO 152 CO 0.12 -0.50 -0.29 1.28 0.05 0.00 0.00 177.00 177.66 1qnn n LEU 153 N 5.45 1.74 -3.73 -3.56 4.77 0.40 -4.99 117.00 117.08 1qnn n LEU 153 Ca 0.12 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 1qnn n LEU 153 Cb 0.46 -0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 1qnn n LEU 153 CO 0.55 0.51 -0.22 -0.22 -1.33 0.00 0.00 177.39 176.68 1qnn s LEU 154 N -7.18 0.54 -0.03 2.23 2.96 -1.15 -4.81 118.68 111.24 1qnn s LEU 154 Ca -0.32 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1qnn s LEU 154 Cb 0.12 0.37 0.01 0.00 0.50 0.00 0.00 46.19 47.19 1qnn s LEU 154 CO 0.41 -0.17 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.37 1qnn s GLY 155 N 1.40 0.50 -0.19 7.98 0.00 -1.26 -0.12 107.32 115.63 1qnn s GLY 155 Ca -0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 1qnn s GLY 155 CO -0.06 0.05 0.01 -1.36 0.00 0.00 0.00 173.10 171.74 1qnn s PHE 156 N 0.38 3.07 -0.26 1.90 0.08 -0.29 -4.78 117.98 118.08 1qnn s PHE 156 Ca -0.06 -0.34 -0.27 0.00 0.12 0.00 0.00 56.93 56.39 1qnn s PHE 156 Cb -0.10 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 1qnn s PHE 156 CO 0.01 -0.15 0.95 0.34 -0.10 0.00 0.00 175.22 176.26 1qnn s ASP 157 N 0.84 6.93 -0.12 1.36 -1.08 -1.26 -1.86 116.67 121.48 1qnn s ASP 157 Ca 0.01 1.12 0.15 0.00 -0.52 0.00 0.00 52.55 53.30 1qnn s ASP 157 Cb -0.14 -2.49 0.45 0.00 -1.46 0.00 0.00 42.92 39.28 1qnn s ASP 157 CO 0.02 -0.65 1.36 1.33 0.52 0.00 0.00 175.17 177.75 1qnn n VAL 158 N 5.42 1.86 -2.04 1.11 0.24 -0.39 -4.81 118.33 119.72 1qnn n VAL 158 Ca 0.09 -1.59 -0.39 0.00 -2.04 0.00 0.00 64.34 60.41 1qnn n VAL 158 Cb 0.47 -0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 1qnn n VAL 158 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1qnn s TRP 159 N -2.22 2.70 0.54 6.34 0.52 -1.23 -4.44 118.94 121.15 1qnn s TRP 159 Ca 0.35 1.43 0.20 0.00 0.02 0.00 0.00 56.10 58.11 1qnn s TRP 159 Cb 0.27 -3.63 1.41 0.00 -1.15 0.00 0.00 33.47 30.37 1qnn s TRP 159 CO 0.11 -2.14 2.16 0.93 0.02 0.00 0.00 176.95 178.03 1qnn h GLU 160 N 2.20 0.00 0.00 4.98 5.08 -1.93 -1.66 114.58 123.25 1qnn h GLU 160 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1qnn h GLU 160 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qnn h GLU 160 CO 0.61 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 179.74 1qnn h HIS 161 N 0.00 0.00 0.00 4.33 2.07 -1.97 0.38 115.15 119.96 1qnn h HIS 161 Ca 0.02 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1qnn h HIS 161 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 1qnn h HIS 161 CO 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1qnn h ALA 162 N 2.07 0.99 0.00 6.11 0.00 -1.61 -3.38 119.26 123.44 1qnn h ALA 162 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qnn h ALA 162 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qnn h ALA 162 CO 0.00 0.03 0.00 2.48 0.00 0.00 0.00 179.25 181.76 1qnn n TYR 163 N -3.11 0.00 -0.28 0.00 0.18 -0.96 -4.95 117.16 108.04 1qnn n TYR 163 Ca 0.02 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.82 1qnn n TYR 163 Cb 0.41 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.53 1qnn n TYR 163 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1qnn h TYR 164 N 0.00 0.81 -0.03 -3.48 3.20 -1.12 0.60 116.97 116.94 1qnn h TYR 164 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qnn h TYR 164 Cb 0.15 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1qnn h TYR 164 CO 0.00 0.33 0.03 -0.07 -1.64 0.00 0.00 178.16 176.80 1qnn h LEU 165 N 0.75 0.00 0.00 2.82 3.38 -1.86 -0.22 115.31 120.18 1qnn h LEU 165 Ca 0.38 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.08 1qnn h LEU 165 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1qnn h LEU 165 CO -0.25 0.00 -2.04 0.41 0.09 0.00 0.00 178.44 176.65 1qnn n THR 166 N -4.42 1.05 0.40 0.22 -1.04 -1.00 -4.76 114.28 104.74 1qnn n THR 166 Ca -0.02 -0.41 0.07 0.00 -2.04 0.00 0.00 64.05 61.65 1qnn n THR 166 Cb 0.12 -1.14 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 1qnn n THR 166 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1qnn n TYR 167 N -3.03 0.00 0.00 -1.42 4.01 0.17 -5.06 117.16 111.83 1qnn n TYR 167 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1qnn n TYR 167 Cb 0.85 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1qnn n TYR 167 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qnn n GLN 168 N -1.62 0.00 0.00 -0.72 3.00 -0.10 -1.37 117.38 116.57 1qnn n GLN 168 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 1qnn n GLN 168 Cb 0.29 0.00 0.62 0.00 0.00 0.00 0.00 30.24 31.16 1qnn n GLN 168 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1qnn n ASN 169 N 7.55 0.05 -3.58 1.08 0.23 -1.26 -4.44 115.26 114.88 1qnn n ASN 169 Ca 0.00 0.29 -0.40 0.00 -0.53 0.00 0.00 54.58 53.93 1qnn n ASN 169 Cb 0.00 -0.40 -0.01 0.00 -2.08 0.00 0.00 39.78 37.29 1qnn n ASN 169 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1qnn n ARG 170 N -1.44 2.94 -0.29 -3.83 1.74 -0.47 -4.70 116.66 110.60 1qnn n ARG 170 Ca 0.09 -2.37 -0.05 0.00 -0.77 0.00 0.00 57.85 54.75 1qnn n ARG 170 Cb 0.32 -3.08 0.07 0.00 -1.02 0.00 0.00 32.46 28.75 1qnn n ARG 170 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1qnn h ARG 171 N 5.90 1.09 -0.83 5.56 2.43 -1.85 -2.80 114.38 123.88 1qnn h ARG 171 Ca 0.64 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.75 1qnn h ARG 171 Cb 0.52 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1qnn h ARG 171 CO 1.85 0.77 0.52 0.00 -1.51 0.00 0.00 179.97 181.60 1qnn h ALA 172 N 1.25 1.11 -0.72 2.80 0.00 -1.97 -0.89 119.26 120.84 1qnn h ALA 172 Ca 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1qnn h ALA 172 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1qnn h ALA 172 CO -0.05 0.31 0.25 -0.44 0.00 0.00 0.00 179.25 179.31 1qnn h ASP 173 N 0.99 1.04 -0.38 0.00 3.32 -1.90 -1.73 116.42 117.75 1qnn h ASP 173 Ca 0.34 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1qnn h ASP 173 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1qnn h ASP 173 CO -0.14 0.96 0.16 -0.74 -1.72 0.00 0.00 179.24 177.76 1qnn h HIS 174 N 1.06 0.56 -0.80 4.55 -0.00 -1.12 -1.91 115.15 117.49 1qnn h HIS 174 Ca 0.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1qnn h HIS 174 Cb 0.28 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1qnn h HIS 174 CO 0.02 0.49 0.49 -0.07 -0.00 0.00 0.00 177.93 178.86 1qnn h LEU 175 N 0.46 0.96 -1.05 0.26 3.38 -0.92 -1.24 115.31 117.16 1qnn h LEU 175 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1qnn h LEU 175 Cb 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1qnn h LEU 175 CO -0.01 0.74 0.36 0.11 0.09 0.00 0.00 178.44 179.73 1qnn h LYS 176 N 1.10 1.03 -0.05 1.13 1.57 -1.11 -2.82 116.57 117.41 1qnn h LYS 176 Ca 0.29 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1qnn h LYS 176 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1qnn h LYS 176 CO -0.05 0.78 -0.64 -0.44 -0.57 0.00 0.00 179.45 178.53 1qnn h ASP 177 N 1.02 0.22 -0.85 0.86 3.45 -0.70 -3.29 116.42 117.14 1qnn h ASP 177 Ca 0.25 -0.13 0.17 0.00 0.43 0.00 0.00 57.03 57.75 1qnn h ASP 177 Cb 0.09 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 38.73 1qnn h ASP 177 CO -0.03 0.80 0.56 -0.07 -1.57 0.00 0.00 179.24 178.92 1qnn h LEU 178 N 0.14 0.47 -2.15 1.55 3.38 -0.98 -1.73 115.31 115.99 1qnn h LEU 178 Ca -0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1qnn h LEU 178 Cb 1.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1qnn h LEU 178 CO 0.10 0.22 0.24 -0.50 0.09 0.00 0.00 178.44 178.59 1qnn h TRP 179 N 0.49 0.00 0.00 1.13 4.06 -1.69 -1.58 115.95 118.37 1qnn h TRP 179 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 1qnn h TRP 179 Cb 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.09 1qnn h TRP 179 CO -0.00 0.00 0.00 -1.13 -3.56 0.00 0.00 178.44 173.75 1qnn n SER 180 N -3.93 0.20 -0.15 -3.49 3.41 -0.65 -3.30 113.62 105.71 1qnn n SER 180 Ca 0.03 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 1qnn n SER 180 Cb 0.38 -0.58 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1qnn n SER 180 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1qnn n ILE 181 N -1.70 0.62 -2.47 -1.33 -5.35 -0.60 -3.73 119.36 104.80 1qnn n ILE 181 Ca 0.05 -0.81 -0.42 0.00 -0.27 0.00 0.00 62.75 61.30 1qnn n ILE 181 Cb 0.29 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 1qnn n ILE 181 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1qnn s VAL 182 N -0.71 4.25 -0.79 7.28 1.01 -1.19 -0.12 120.40 130.13 1qnn s VAL 182 Ca 0.05 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 1qnn s VAL 182 Cb 0.03 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.53 1qnn s VAL 182 CO 0.04 0.04 0.91 -0.62 0.00 0.00 0.00 175.10 175.47 1qnn s ASP 183 N 1.34 6.50 0.64 3.32 -1.08 -0.05 -0.83 116.67 126.50 1qnn s ASP 183 Ca 0.56 -1.93 0.42 0.00 -0.52 0.00 0.00 52.55 51.08 1qnn s ASP 183 Cb -0.25 -2.33 2.30 0.00 -1.46 0.00 0.00 42.92 41.17 1qnn s ASP 183 CO 0.24 -1.00 2.29 -0.50 0.52 0.00 0.00 175.17 176.72 1qnn h TRP 184 N 8.76 0.00 -0.46 -5.34 4.06 -1.85 -0.95 115.95 120.17 1qnn h TRP 184 Ca -0.02 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.84 1qnn h TRP 184 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 1qnn h TRP 184 CO 1.03 0.00 -0.09 -0.44 -3.56 0.00 0.00 178.44 175.38 1qnn h ASP 185 N 0.00 0.87 -0.29 -3.49 3.32 -1.96 0.17 116.42 115.05 1qnn h ASP 185 Ca 0.00 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 1qnn h ASP 185 Cb 0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1qnn h ASP 185 CO 0.00 1.02 -0.11 0.40 -1.72 0.00 0.00 179.24 178.83 1qnn h ILE 186 N 0.71 1.29 -0.59 0.35 2.04 -1.54 -2.53 117.51 117.24 1qnn h ILE 186 Ca 0.12 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.73 1qnn h ILE 186 Cb 0.63 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1qnn h ILE 186 CO 0.04 0.37 0.08 0.58 0.00 0.00 0.00 178.15 179.23 1qnn h VAL 187 N 0.34 1.26 -0.48 1.67 2.07 -1.32 -2.52 116.25 117.26 1qnn h VAL 187 Ca 0.07 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1qnn h VAL 187 Cb 0.61 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1qnn h VAL 187 CO 0.04 0.37 0.28 -0.33 0.02 0.00 0.00 177.57 177.95 1qnn h GLU 188 N 0.89 0.65 0.00 1.57 5.08 -0.62 -1.90 114.58 120.25 1qnn h GLU 188 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1qnn h GLU 188 Cb 0.44 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1qnn h GLU 188 CO 0.01 0.47 0.00 0.66 -1.00 0.00 0.00 179.01 179.15 1qnn h SER 189 N 0.66 0.00 1.19 1.42 4.64 -1.00 -2.07 113.55 118.40 1qnn h SER 189 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1qnn h SER 189 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1qnn h SER 189 CO -0.03 0.00 -0.54 0.03 -0.87 0.00 0.00 176.83 175.42 1qnn h ARG 190 N 0.00 0.00 0.00 4.77 3.08 -1.29 -3.51 114.38 117.43 1qnn h ARG 190 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qnn h ARG 190 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1qnn h ARG 190 CO 0.00 0.00 0.00 0.98 -1.07 0.00 0.00 179.97 179.88