#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnn s HIS 3 N 0.00 3.41 0.32 -1.42 0.09 -1.26 -5.09 115.29 111.34 1qnn s HIS 3 Ca 0.00 1.13 0.09 0.00 -0.00 0.00 0.00 55.06 56.28 1qnn s HIS 3 Cb 0.00 -2.48 -0.05 0.00 -0.00 0.00 0.00 32.58 30.05 1qnn s HIS 3 CO 0.00 0.04 -0.01 -1.21 -0.00 0.00 0.00 174.74 173.56 1qnn s GLU 4 N -3.26 2.08 -0.48 1.40 2.02 -1.26 -4.95 118.70 114.25 1qnn s GLU 4 Ca 0.53 -1.68 -0.27 0.00 0.02 0.00 0.00 54.97 53.57 1qnn s GLU 4 Cb -0.10 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.20 1qnn s GLU 4 CO 0.22 0.20 1.02 -1.17 0.02 0.00 0.00 175.26 175.56 1qnn s LEU 5 N -3.69 3.84 0.69 1.80 2.96 -1.26 -5.00 118.68 118.03 1qnn s LEU 5 Ca 0.34 0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 54.30 1qnn s LEU 5 Cb -0.02 -3.31 -0.09 0.00 0.50 0.00 0.00 46.19 43.27 1qnn s LEU 5 CO 0.19 -1.16 0.14 2.30 -1.32 0.00 0.00 176.35 176.50 1qnn n ILE 6 N 6.59 1.03 -3.70 6.68 -5.35 -1.26 -4.95 119.36 118.40 1qnn n ILE 6 Ca 0.08 -0.45 -0.36 0.00 -0.27 0.00 0.00 62.75 61.76 1qnn n ILE 6 Cb 0.49 -0.41 -0.07 0.00 -1.74 0.00 0.00 39.64 37.90 1qnn n ILE 6 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1qnn s SER 7 N -1.25 6.30 0.20 7.28 0.01 -1.26 -5.06 113.70 119.93 1qnn s SER 7 Ca 0.59 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 1qnn s SER 7 Cb -0.37 -2.11 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 1qnn s SER 7 CO 0.64 0.20 1.38 -0.76 0.41 0.00 0.00 173.24 175.10 1qnn s LEU 8 N 0.14 4.40 -0.02 2.44 1.43 -1.26 -4.89 118.68 120.91 1qnn s LEU 8 Ca 0.11 2.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.73 1qnn s LEU 8 Cb -0.12 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.62 1qnn s LEU 8 CO 0.01 -0.62 0.86 -0.81 0.23 0.00 0.00 176.35 176.02 1qnn n PRO 9 N 2.77 1.51 -3.88 1.29 -0.04 -1.26 -4.86 135.00 130.53 1qnn n PRO 9 Ca 0.07 -0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 62.96 1qnn n PRO 9 Cb 0.42 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.51 -0.00 0.54 0.54 1.13 -1.26 -5.10 117.35 111.69 1qnn s TYR 10 Ca 0.09 -0.40 -0.20 0.00 -1.41 0.00 0.00 57.07 55.15 1qnn s TYR 10 Cb 0.06 0.48 -0.06 0.00 -1.10 0.00 0.00 41.96 41.34 1qnn s TYR 10 CO 0.04 -1.10 1.15 0.00 -2.51 0.00 0.00 175.55 173.13 1qnn s ALA 11 N -3.94 2.71 0.60 9.51 0.00 -1.26 -4.92 121.76 124.47 1qnn s ALA 11 Ca 0.14 0.88 0.31 0.00 0.00 0.00 0.00 51.96 53.29 1qnn s ALA 11 Cb -0.03 -3.38 1.79 0.00 0.00 0.00 0.00 23.12 21.50 1qnn s ALA 11 CO 0.06 -0.83 2.18 -0.39 0.00 0.00 0.00 175.76 176.78 1qnn h VAL 12 N 1.25 0.42 -0.59 0.00 -1.51 -1.98 -1.18 116.25 112.67 1qnn h VAL 12 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1qnn h VAL 12 Cb 1.27 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1qnn h VAL 12 CO 0.57 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 1qnn n ASP 13 N -3.70 3.59 0.09 4.19 3.85 -1.26 -4.18 116.55 119.13 1qnn n ASP 13 Ca -0.01 -1.99 -0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1qnn n ASP 13 Cb 0.21 -0.39 0.30 0.00 -1.35 0.00 0.00 41.12 39.89 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 3.61 1.29 -0.02 2.12 0.00 -1.55 -3.12 119.26 121.59 1qnn h ALA 14 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qnn h ALA 14 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qnn h ALA 14 CO 0.00 0.48 -0.05 1.28 0.00 0.00 0.00 179.25 180.96 1qnn n LEU 15 N -4.15 1.94 -4.74 0.00 4.77 -1.26 -4.64 117.00 108.91 1qnn n LEU 15 Ca -0.01 -0.64 -0.39 0.00 -0.03 0.00 0.00 56.01 54.94 1qnn n LEU 15 Cb 0.37 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1qnn n LEU 15 CO 0.40 0.33 0.99 0.00 -1.33 0.00 0.00 177.39 177.77 1qnn n ALA 16 N 0.45 1.66 0.71 -1.18 0.00 -0.96 -2.36 120.51 118.82 1qnn n ALA 16 Ca 0.16 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.90 1qnn n ALA 16 Cb 0.43 -2.35 0.17 0.00 0.00 0.00 0.00 19.45 17.71 1qnn n ALA 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qnn n PRO 17 N -0.61 0.19 -0.28 0.00 -0.04 -1.26 -4.85 135.00 128.16 1qnn n PRO 17 Ca 0.08 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1qnn n PRO 17 Cb 0.43 -1.61 0.23 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.00 0.47 -3.10 0.52 2.07 -1.86 -3.19 116.25 111.16 1qnn h VAL 18 Ca 0.00 -0.10 -0.58 0.00 0.82 0.00 0.00 66.70 66.83 1qnn h VAL 18 Cb 0.66 0.14 -0.40 0.00 -1.52 0.00 0.00 31.29 30.17 1qnn h VAL 18 CO 0.00 0.05 -0.76 -0.63 0.02 0.00 0.00 177.57 176.26 1qnn s ILE 19 N -5.98 0.89 1.12 4.57 1.01 -1.00 -4.98 121.20 116.83 1qnn s ILE 19 Ca -0.12 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 58.85 1qnn s ILE 19 Cb 0.23 -1.67 0.22 0.00 0.01 0.00 0.00 42.46 41.25 1qnn s ILE 19 CO 0.77 -0.72 0.76 -1.54 0.00 0.00 0.00 174.94 174.20 1qnn n SER 20 N 4.66 -1.67 -0.05 3.58 3.41 -1.21 -2.28 113.62 120.06 1qnn n SER 20 Ca -0.00 -0.06 -0.07 0.00 -0.26 0.00 0.00 58.87 58.48 1qnn n SER 20 Cb 0.41 -1.21 0.11 0.00 -0.26 0.00 0.00 64.21 63.26 1qnn n SER 20 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1qnn h LYS 21 N -2.40 0.67 -0.39 4.33 3.64 -1.89 -2.26 116.57 118.27 1qnn h LYS 21 Ca -0.57 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 58.41 1qnn h LYS 21 Cb 1.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1qnn h LYS 21 CO 0.45 0.87 -0.24 0.93 -2.27 0.00 0.00 179.45 179.19 1qnn h GLU 22 N 0.58 0.79 -0.22 1.90 3.07 -1.92 -2.23 114.58 116.56 1qnn h GLU 22 Ca 0.07 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.55 1qnn h GLU 22 Cb 0.76 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1qnn h GLU 22 CO 0.06 0.94 -0.08 1.15 -1.40 0.00 0.00 179.01 179.68 1qnn h THR 23 N 0.68 1.30 -0.69 1.13 2.02 -1.88 -1.45 112.91 114.02 1qnn h THR 23 Ca 0.09 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.18 1qnn h THR 23 Cb 0.75 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1qnn h THR 23 CO 0.06 0.34 0.44 0.58 0.37 0.00 0.00 175.52 177.31 1qnn h VAL 24 N 0.16 1.10 -0.57 3.16 2.07 -1.37 0.68 116.25 121.48 1qnn h VAL 24 Ca 0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1qnn h VAL 24 Cb 0.56 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1qnn h VAL 24 CO 0.03 0.16 0.35 -0.33 0.02 0.00 0.00 177.57 177.80 1qnn h GLU 25 N 0.86 0.77 0.04 1.57 5.08 -1.23 -0.45 114.58 121.21 1qnn h GLU 25 Ca 0.27 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1qnn h GLU 25 Cb 0.00 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.10 1qnn h GLU 25 CO -0.10 0.54 -0.53 0.74 -1.00 0.00 0.00 179.01 178.67 1qnn h PHE 26 N 0.77 0.46 0.11 4.33 0.04 -0.70 -0.21 116.94 121.74 1qnn h PHE 26 Ca 0.21 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1qnn h PHE 26 Cb -0.03 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1qnn h PHE 26 CO -0.03 1.13 -0.05 1.25 -0.60 0.00 0.00 178.31 180.01 1qnn h HIS 27 N -0.33 -0.14 0.00 -0.55 2.76 0.38 -0.52 115.15 116.75 1qnn h HIS 27 Ca -0.08 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.00 1qnn h HIS 27 Cb 1.30 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.29 1qnn h HIS 27 CO 0.18 -0.06 -0.51 1.25 -1.30 0.00 0.00 177.93 177.49 1qnn h HIS 28 N -0.18 0.00 0.00 5.26 -0.00 -1.22 -0.75 115.15 118.26 1qnn h HIS 28 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 1qnn h HIS 28 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1qnn h HIS 28 CO -0.06 1.11 -0.05 0.78 -0.00 0.00 0.00 177.93 179.71 1qnn h GLY 29 N -1.00 0.00 0.00 5.26 0.00 -1.06 -3.12 103.07 103.14 1qnn h GLY 29 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1qnn h GLY 29 CO -0.08 0.00 -0.33 0.28 0.00 0.00 0.00 176.54 176.40 1qnn n LYS 30 N -3.20 0.00 0.30 4.80 4.76 -0.56 -4.61 118.16 119.64 1qnn n LYS 30 Ca -0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.27 1qnn n LYS 30 Cb 0.28 -0.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.95 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 0.00 -0.67 -0.74 2.13 3.86 -1.10 -2.00 115.15 116.62 1qnn h HIS 31 Ca 0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1qnn h HIS 31 Cb 0.33 0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1qnn h HIS 31 CO 0.00 -0.38 0.38 1.25 0.86 0.00 0.00 177.93 180.04 1qnn h LEU 32 N -0.82 0.96 -0.92 2.43 5.85 -1.20 -2.19 115.31 119.41 1qnn h LEU 32 Ca -0.07 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1qnn h LEU 32 Cb 0.60 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1qnn h LEU 32 CO 0.12 0.80 0.60 0.50 -0.34 0.00 0.00 178.44 180.12 1qnn h LYS 33 N 1.04 1.10 -0.32 1.25 3.64 -1.54 -1.47 116.57 120.27 1qnn h LYS 33 Ca 0.26 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1qnn h LYS 33 Cb 0.08 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1qnn h LYS 33 CO -0.04 0.73 0.10 1.15 -2.27 0.00 0.00 179.45 179.12 1qnn h THR 34 N 1.13 1.21 -0.52 1.00 2.02 -0.82 0.20 112.91 117.13 1qnn h THR 34 Ca 0.38 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1qnn h THR 34 Cb 0.05 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1qnn h THR 34 CO -0.14 0.23 0.33 1.88 0.37 0.00 0.00 175.52 178.19 1qnn h TYR 35 N 0.37 0.66 0.05 3.16 0.99 -0.94 0.11 116.97 121.37 1qnn h TYR 35 Ca 0.10 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1qnn h TYR 35 Cb 0.25 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.76 1qnn h TYR 35 CO 0.01 0.42 -0.03 0.28 -0.00 0.00 0.00 178.16 178.84 1qnn h VAL 36 N 0.70 1.29 -0.66 -2.88 2.07 -0.87 -0.80 116.25 115.09 1qnn h VAL 36 Ca 0.19 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.39 1qnn h VAL 36 Cb -0.06 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1qnn h VAL 36 CO -0.04 0.33 0.44 0.44 0.02 0.00 0.00 177.57 178.76 1qnn h ASP 37 N -0.72 0.57 0.23 0.57 5.19 -0.33 -0.74 116.42 121.19 1qnn h ASP 37 Ca -0.01 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1qnn h ASP 37 Cb 0.60 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1qnn h ASP 37 CO 0.01 0.36 -0.90 0.78 -3.12 0.00 0.00 179.24 176.37 1qnn h ASN 38 N 0.64 0.62 -0.29 6.45 2.35 -0.79 -2.72 115.58 121.83 1qnn h ASN 38 Ca 0.29 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1qnn h ASN 38 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1qnn h ASN 38 CO -0.09 1.26 -0.02 0.25 -1.65 0.00 0.00 177.43 177.17 1qnn h LEU 39 N 0.29 0.53 -0.26 1.61 5.85 -0.18 -0.60 115.31 122.55 1qnn h LEU 39 Ca -0.08 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1qnn h LEU 39 Cb 1.53 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1qnn h LEU 39 CO 0.16 0.73 0.12 0.78 -0.34 0.00 0.00 178.44 179.90 1qnn h ASN 40 N 0.32 0.18 -0.00 1.25 2.35 -1.24 -2.34 115.58 116.09 1qnn h ASN 40 Ca 0.08 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1qnn h ASN 40 Cb 0.48 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1qnn h ASN 40 CO 0.02 0.14 0.00 0.50 -1.65 0.00 0.00 177.43 176.44 1qnn h LYS 41 N 0.26 0.00 0.00 0.81 3.64 -1.38 -3.21 116.57 116.69 1qnn h LYS 41 Ca 0.11 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1qnn h LYS 41 Cb 0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1qnn h LYS 41 CO -0.08 0.06 -0.29 -0.07 -2.27 0.00 0.00 179.45 176.80 1qnn h LEU 42 N -0.06 0.00 -0.06 5.20 3.38 -1.03 -3.05 115.31 119.69 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1qnn h LEU 42 CO -0.00 0.29 -0.22 2.30 0.09 0.00 0.00 178.44 180.91 1qnn n ILE 43 N -3.89 0.00 -1.91 1.22 -5.35 -0.89 -4.80 119.36 103.75 1qnn n ILE 43 Ca -0.02 -0.02 -0.42 0.00 -0.27 0.00 0.00 62.75 62.03 1qnn n ILE 43 Cb 0.37 -0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 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 -2.87 3.16 0.00 7.28 1.01 -1.16 -2.00 121.20 126.62 1qnn s ILE 44 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1qnn s ILE 44 Cb 0.19 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1qnn s ILE 44 CO 0.58 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1qnn n GLY 45 N 4.11 0.51 3.64 6.18 0.00 -1.26 -5.04 105.19 113.33 1qnn n GLY 45 Ca 0.17 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 2.19 -1.03 2.61 -4.23 -0.85 -5.00 115.64 107.34 1qnn s THR 46 Ca 0.00 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1qnn s THR 46 Cb 0.00 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.96 1qnn s THR 46 CO 0.00 -0.05 1.16 -1.84 -0.54 0.00 0.00 174.62 173.34 1qnn n GLU 47 N -1.01 0.00 -0.20 3.99 0.00 -1.26 -1.29 120.64 120.87 1qnn n GLU 47 Ca -0.04 0.40 0.11 0.00 0.00 0.00 0.00 57.16 57.63 1qnn n GLU 47 Cb 0.65 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.80 1qnn n GLU 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1qnn n PHE 48 N -1.49 0.54 -0.15 -1.84 3.72 -1.26 -4.59 117.46 112.38 1qnn n PHE 48 Ca 0.01 -0.31 0.12 0.00 -0.05 0.00 0.00 57.45 57.23 1qnn n PHE 48 Cb 0.06 -0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.06 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 3.94 0.49 0.00 -1.08 4.81 -1.16 -2.99 114.58 118.59 1qnn h GLU 49 Ca 0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1qnn h GLU 49 Cb 0.91 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1qnn h GLU 49 CO 0.00 0.32 -0.32 0.09 -0.73 0.00 0.00 179.01 178.37 1qnn n ASN 50 N -4.49 1.53 -4.91 1.04 5.03 -1.26 -4.57 115.26 107.63 1qnn n ASN 50 Ca 0.13 -2.88 -0.27 0.00 0.87 0.00 0.00 54.58 52.43 1qnn n ASN 50 Cb 0.42 -0.38 0.03 0.00 -1.02 0.00 0.00 39.78 38.83 1qnn n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qnn s ALA 51 N -1.97 3.26 0.29 5.41 0.00 -1.13 -5.06 121.76 122.56 1qnn s ALA 51 Ca 0.26 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.45 1qnn s ALA 51 Cb 0.24 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 1qnn s ALA 51 CO -0.02 -0.78 0.74 0.16 0.00 0.00 0.00 175.76 175.86 1qnn s ASP 52 N -4.28 6.87 0.25 0.00 1.47 -1.26 -4.90 116.67 114.82 1qnn s ASP 52 Ca 0.54 1.33 -0.11 0.00 1.18 0.00 0.00 52.55 55.49 1qnn s ASP 52 Cb -0.11 -2.39 0.37 0.00 -0.34 0.00 0.00 42.92 40.45 1qnn s ASP 52 CO 0.46 -0.13 1.48 -0.11 0.68 0.00 0.00 175.17 177.55 1qnn n LEU 53 N -0.03 -0.43 -0.22 2.11 7.94 -1.26 -0.90 117.00 124.21 1qnn n LEU 53 Ca 0.02 1.64 0.01 0.00 -1.11 0.00 0.00 56.01 56.57 1qnn n LEU 53 Cb 0.52 -0.46 0.12 0.00 0.53 0.00 0.00 43.42 44.14 1qnn n LEU 53 CO 0.42 -1.54 1.00 0.78 -1.11 0.00 0.00 177.39 176.94 1qnn h ASN 54 N 0.00 0.28 -0.26 1.96 2.35 -1.98 -0.20 115.58 117.73 1qnn h ASN 54 Ca 0.41 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.16 1qnn h ASN 54 Cb 0.65 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1qnn h ASN 54 CO -0.97 0.16 -0.12 0.74 -1.65 0.00 0.00 177.43 175.59 1qnn h THR 55 N 0.45 1.25 0.25 2.81 2.02 -1.40 -1.60 112.91 116.69 1qnn h THR 55 Ca 0.32 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1qnn h THR 55 Cb 0.40 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1qnn h THR 55 CO -0.31 0.38 -0.12 0.40 0.37 0.00 0.00 175.52 176.24 1qnn h ILE 56 N 0.61 0.80 0.00 3.11 2.04 -0.43 0.37 117.51 124.01 1qnn h ILE 56 Ca 0.11 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1qnn h ILE 56 Cb 0.56 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1qnn h ILE 56 CO 0.04 0.06 -0.01 0.58 0.00 0.00 0.00 178.15 178.82 1qnn h VAL 57 N -0.47 0.47 0.00 1.67 2.07 -0.99 0.83 116.25 119.84 1qnn h VAL 57 Ca -0.03 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 1qnn h VAL 57 Cb 0.35 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1qnn h VAL 57 CO 0.06 0.01 -1.07 1.56 0.02 0.00 0.00 177.57 178.14 1qnn h GLN 58 N 0.00 0.00 0.00 1.57 4.20 -0.62 -3.40 115.11 116.86 1qnn h GLN 58 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qnn h GLN 58 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1qnn h GLN 58 CO 0.00 0.68 -0.79 1.63 -0.67 0.00 0.00 178.83 179.69 1qnn n LYS 59 N -3.20 2.01 -0.60 1.46 4.76 0.06 -4.95 118.16 117.70 1qnn n LYS 59 Ca -0.04 -0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.09 1qnn n LYS 59 Cb 0.90 -0.91 0.22 0.00 -1.84 0.00 0.00 35.03 33.39 1qnn n LYS 59 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1qnn s SER 60 N -1.93 1.73 0.02 4.39 0.01 0.28 -5.06 113.70 113.14 1qnn s SER 60 Ca -0.00 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.92 1qnn s SER 60 Cb 0.01 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1qnn s SER 60 CO 0.09 -3.78 0.29 -1.61 0.41 0.00 0.00 173.24 168.63 1qnn s GLU 61 N -4.53 0.72 5.05 12.44 0.41 -1.26 -4.77 118.70 126.76 1qnn s GLU 61 Ca 0.68 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 1qnn s GLU 61 Cb -0.24 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.42 1qnn s GLU 61 CO 0.62 -0.21 0.00 0.41 -0.49 0.00 0.00 175.26 175.59 1qnn n GLY 62 N 0.92 2.81 0.26 -1.39 0.00 -1.26 -3.18 105.19 103.36 1qnn n GLY 62 Ca -0.20 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 0.95 1.00 -0.02 0.00 -2.00 -0.07 103.07 102.93 1qnn h GLY 63 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1qnn h GLY 63 CO 0.00 -0.19 0.38 -2.22 0.00 0.00 0.00 176.54 174.50 1qnn h ILE 64 N 0.25 1.20 -0.45 2.60 2.04 -1.93 -2.41 117.51 118.80 1qnn h ILE 64 Ca 0.39 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1qnn h ILE 64 Cb 0.66 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1qnn h ILE 64 CO -0.51 0.21 -0.13 0.15 0.00 0.00 0.00 178.15 177.88 1qnn h PHE 65 N 0.90 0.99 -0.28 1.37 3.57 -1.15 -0.10 116.94 122.23 1qnn h PHE 65 Ca 0.23 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1qnn h PHE 65 Cb 0.01 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1qnn h PHE 65 CO -0.01 0.98 0.06 -0.91 -2.23 0.00 0.00 178.31 176.20 1qnn h ASN 66 N 0.71 0.02 0.20 0.41 2.35 -0.83 0.61 115.58 119.05 1qnn h ASN 66 Ca 0.11 0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.72 1qnn h ASN 66 Cb 0.67 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1qnn h ASN 66 CO 0.05 0.05 -0.70 0.78 -1.65 0.00 0.00 177.43 175.95 1qnn h ASN 67 N 0.17 0.53 -0.08 5.81 2.35 -1.41 -2.21 115.58 120.73 1qnn h ASN 67 Ca 0.13 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1qnn h ASN 67 Cb 0.13 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1qnn h ASN 67 CO -0.17 1.07 -0.03 0.00 -1.65 0.00 0.00 177.43 176.66 1qnn h ALA 68 N 0.92 0.11 -0.79 -0.83 0.00 -0.58 -0.60 119.26 117.49 1qnn h ALA 68 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1qnn h ALA 68 Cb 1.27 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1qnn h ALA 68 CO 0.12 -0.15 0.46 0.78 0.00 0.00 0.00 179.25 180.46 1qnn h GLY 69 N -0.19 1.16 1.57 0.00 0.00 0.17 -1.14 103.07 104.65 1qnn h GLY 69 Ca 0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 1qnn h GLY 69 CO 0.01 0.48 -0.64 1.46 0.00 0.00 0.00 176.54 177.85 1qnn h GLN 70 N 1.10 0.44 -0.18 4.80 1.08 -1.32 -0.53 115.11 120.51 1qnn h GLN 70 Ca 0.28 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1qnn h GLN 70 Cb -0.01 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1qnn h GLN 70 CO -0.05 0.93 -0.03 1.15 -0.95 0.00 0.00 178.83 179.88 1qnn h THR 71 N 0.32 1.28 -0.68 -0.54 2.02 -0.67 -1.50 112.91 113.14 1qnn h THR 71 Ca -0.01 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 1qnn h THR 71 Cb 1.19 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1qnn h THR 71 CO 0.11 0.29 0.16 0.25 0.37 0.00 0.00 175.52 176.70 1qnn h LEU 72 N 0.05 1.04 0.00 2.58 5.85 -1.22 -1.72 115.31 121.90 1qnn h LEU 72 Ca 0.05 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1qnn h LEU 72 Cb 0.45 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1qnn h LEU 72 CO 0.01 1.01 -0.04 0.78 -0.34 0.00 0.00 178.44 179.87 1qnn h ASN 73 N 1.03 -0.11 0.07 1.25 2.35 -0.99 -2.72 115.58 116.47 1qnn h ASN 73 Ca 0.21 0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1qnn h ASN 73 Cb 0.38 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1qnn h ASN 73 CO 0.00 -0.06 -0.44 0.45 -1.65 0.00 0.00 177.43 175.73 1qnn h HIS 74 N -0.07 0.55 -0.73 1.19 3.86 -1.20 -1.69 115.15 117.06 1qnn h HIS 74 Ca 0.02 -0.17 0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1qnn h HIS 74 Cb 0.09 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1qnn h HIS 74 CO -0.11 0.82 0.42 -0.91 0.86 0.00 0.00 177.93 179.02 1qnn h ASN 75 N 0.37 0.64 0.82 2.45 4.21 -1.17 0.20 115.58 123.11 1qnn h ASN 75 Ca 0.03 0.03 -0.18 0.00 1.21 0.00 0.00 56.30 57.38 1qnn h ASN 75 Cb 0.93 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 1qnn h ASN 75 CO 0.08 0.41 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.71 1qnn h LEU 76 N 0.78 0.03 0.66 1.61 3.38 -1.39 -3.10 115.31 117.27 1qnn h LEU 76 Ca 0.32 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1qnn h LEU 76 Cb 0.18 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1qnn h LEU 76 CO -0.18 0.86 -0.32 0.22 0.09 0.00 0.00 178.44 179.12 1qnn h TYR 77 N 0.01 -0.82 -0.12 1.13 3.20 -0.30 -2.94 116.97 117.14 1qnn h TYR 77 Ca -0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1qnn h TYR 77 Cb 1.50 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 1qnn h TYR 77 CO 0.00 -0.51 -0.04 0.74 -1.64 0.00 0.00 178.16 176.71 1qnn h PHE 78 N -1.19 0.18 -0.03 -3.82 -1.00 -0.78 -2.70 116.94 107.60 1qnn h PHE 78 Ca -0.09 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1qnn h PHE 78 Cb 0.68 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1qnn h PHE 78 CO 0.01 0.23 0.00 0.25 -1.61 0.00 0.00 178.31 177.18 1qnn n THR 79 N -4.39 0.02 1.09 -1.55 -2.24 -1.17 -3.74 114.28 102.31 1qnn n THR 79 Ca -0.01 -0.20 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1qnn n THR 79 Cb 0.18 0.26 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.08 2.09 -4.15 -0.78 10.64 -1.02 -4.94 117.38 119.15 1qnn n GLN 80 Ca 0.20 -1.66 -0.29 0.00 -1.83 0.00 0.00 57.00 53.41 1qnn n GLN 80 Cb 0.30 -1.47 -0.08 0.00 -0.86 0.00 0.00 30.24 28.13 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 -2.05 2.94 -0.22 2.61 2.99 -1.24 -1.75 117.98 121.25 1qnn s PHE 81 Ca 0.29 -0.06 -0.16 0.00 0.00 0.00 0.00 56.93 56.99 1qnn s PHE 81 Cb 0.20 -1.50 0.06 0.00 0.00 0.00 0.00 43.02 41.79 1qnn s PHE 81 CO 0.33 0.48 0.56 1.03 -0.00 0.00 0.00 175.22 177.63 1qnn s ARG 82 N -2.43 0.62 0.56 0.44 1.81 -0.67 -4.83 118.95 114.45 1qnn s ARG 82 Ca 0.26 0.90 -0.21 0.00 -1.72 0.00 0.00 55.73 54.96 1qnn s ARG 82 Cb -0.11 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.54 1qnn s ARG 82 CO 0.18 -0.12 1.27 -1.25 -0.68 0.00 0.00 175.30 174.70 1qnn s PRO 83 N 0.89 3.14 -1.58 3.54 0.04 -1.26 -3.32 135.00 136.44 1qnn s PRO 83 Ca -0.05 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1qnn s PRO 83 Cb -0.05 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1qnn s PRO 83 CO -0.07 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1qnn n GLY 84 N 0.62 0.30 0.00 0.56 0.00 -1.26 -4.96 105.19 100.45 1qnn n GLY 84 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.60 0.00 0.00 1.61 4.76 -1.21 -5.05 118.16 115.66 1qnn n LYS 85 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1qnn n LYS 85 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 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 1.38 7.00 0.72 0.00 0.49 -4.88 105.19 114.90 1qnn n GLY 86 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.89 3.14 -0.02 0.00 -1.26 -4.63 105.19 104.31 1qnn n GLY 87 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.90 0.08 0.47 4.61 0.00 -1.26 -5.04 121.76 118.72 1qnn s ALA 88 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1qnn s ALA 88 Cb 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.38 1qnn s ALA 88 CO 0.00 -0.42 0.98 -1.25 0.00 0.00 0.00 175.76 175.07 1qnn s PRO 89 N -3.61 4.03 0.40 0.00 0.04 -1.26 -4.90 135.00 129.70 1qnn s PRO 89 Ca 0.04 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1qnn s PRO 89 Cb 0.05 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1qnn s PRO 89 CO -0.09 -0.20 0.07 1.63 0.04 0.00 0.00 177.00 178.44 1qnn n LYS 90 N -1.02 0.76 0.00 4.56 5.02 -1.26 -4.38 118.16 121.84 1qnn n LYS 90 Ca 0.07 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1qnn n LYS 90 Cb 0.54 1.28 0.00 0.00 -0.02 0.00 0.00 35.03 36.83 1qnn n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnn n GLY 91 N -0.38 2.57 0.18 0.72 0.00 -1.26 -1.83 105.19 105.20 1qnn n GLY 91 Ca -0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1qnn n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qnn h LYS 92 N 0.00 -0.25 -1.00 1.61 1.79 -1.98 -1.15 116.57 115.59 1qnn h LYS 92 Ca 0.00 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.59 1qnn h LYS 92 Cb 0.00 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.63 1qnn h LYS 92 CO 0.00 -0.17 0.64 1.25 -1.08 0.00 0.00 179.45 180.09 1qnn h LEU 93 N -0.26 0.97 -1.10 2.94 5.85 -1.91 0.34 115.31 122.13 1qnn h LEU 93 Ca 0.00 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1qnn h LEU 93 Cb 0.28 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1qnn h LEU 93 CO -0.14 0.55 0.61 1.23 -0.34 0.00 0.00 178.44 180.35 1qnn h GLY 94 N 1.06 1.34 1.37 3.75 0.00 -1.01 -1.26 103.07 108.32 1qnn h GLY 94 Ca 0.47 -0.46 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 1qnn h GLY 94 CO -0.23 0.39 -1.12 -2.09 0.00 0.00 0.00 176.54 173.49 1qnn h GLU 95 N 1.16 0.54 0.82 4.80 4.81 0.05 -2.94 114.58 123.81 1qnn h GLU 95 Ca 0.37 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1qnn h GLU 95 Cb 0.03 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1qnn h GLU 95 CO -0.12 1.27 -0.48 0.00 -0.73 0.00 0.00 179.01 178.96 1qnn h ALA 96 N 0.48 -1.29 -0.58 2.92 0.00 -0.55 0.45 119.26 120.69 1qnn h ALA 96 Ca -0.14 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.63 1qnn h ALA 96 Cb 1.78 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 20.05 1qnn h ALA 96 CO 0.21 -1.23 -0.03 0.82 0.00 0.00 0.00 179.25 179.01 1qnn h ILE 97 N -1.21 0.50 -0.50 0.00 2.04 -1.37 0.49 117.51 117.46 1qnn h ILE 97 Ca -0.11 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1qnn h ILE 97 Cb 0.96 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1qnn h ILE 97 CO 0.13 0.02 0.26 -0.78 0.00 0.00 0.00 178.15 177.77 1qnn h ASP 98 N 0.09 0.37 -0.06 1.72 1.82 -1.32 0.44 116.42 119.48 1qnn h ASP 98 Ca 0.30 0.03 -0.19 0.00 -0.39 0.00 0.00 57.03 56.78 1qnn h ASP 98 Cb 0.47 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.45 1qnn h ASP 98 CO -0.52 0.25 -0.70 0.50 -1.61 0.00 0.00 179.24 177.17 1qnn h LYS 99 N 0.50 0.57 0.00 0.28 3.64 0.23 -1.29 116.57 120.50 1qnn h LYS 99 Ca 0.22 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1qnn h LYS 99 Cb 0.13 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1qnn h LYS 99 CO -0.15 1.16 -0.19 1.96 -2.27 0.00 0.00 179.45 179.96 1qnn h GLN 100 N 0.18 0.00 0.00 1.90 4.20 0.05 -3.36 115.11 118.08 1qnn h GLN 100 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1qnn h GLN 100 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1qnn h GLN 100 CO 0.14 0.00 -0.23 1.19 -0.67 0.00 0.00 178.83 179.26 1qnn n PHE 101 N -2.81 0.00 0.00 2.96 3.72 0.15 -5.03 117.46 116.45 1qnn n PHE 101 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1qnn n PHE 101 Cb 0.51 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.32 3.08 3.72 1.37 0.00 -0.49 -4.65 105.19 109.54 1qnn n GLY 102 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.13 0.10 1.61 1.04 -1.24 -4.82 113.70 110.26 1qnn s SER 103 Ca 0.00 -0.33 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 1qnn s SER 103 Cb 0.00 0.39 -0.15 0.00 0.10 0.00 0.00 66.02 66.36 1qnn s SER 103 CO 0.00 -0.72 1.31 0.15 0.98 0.00 0.00 173.24 174.96 1qnn h PHE 104 N 2.00 1.05 -0.46 5.02 3.57 -1.91 -2.51 116.94 123.70 1qnn h PHE 104 Ca -0.26 -0.45 0.02 0.00 3.53 0.00 0.00 57.97 60.81 1qnn h PHE 104 Cb 1.22 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1qnn h PHE 104 CO 0.39 1.28 0.28 0.93 -2.23 0.00 0.00 178.31 178.96 1qnn h GLU 105 N 0.52 0.56 -0.62 1.11 4.39 -1.98 -0.04 114.58 118.52 1qnn h GLU 105 Ca -0.04 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1qnn h GLU 105 Cb 1.34 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1qnn h GLU 105 CO 0.15 0.37 0.37 -0.22 -1.16 0.00 0.00 179.01 178.52 1qnn h LYS 106 N 0.57 0.69 0.11 2.33 1.63 -1.87 -0.82 116.57 119.21 1qnn h LYS 106 Ca 0.18 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1qnn h LYS 106 Cb -0.01 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1qnn h LYS 106 CO -0.07 0.46 -0.05 0.35 -3.45 0.00 0.00 179.45 176.69 1qnn h PHE 107 N 0.71 -0.14 -0.83 1.91 3.57 -0.92 -1.70 116.94 119.55 1qnn h PHE 107 Ca 0.26 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.86 1qnn h PHE 107 Cb 0.07 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 1qnn h PHE 107 CO -0.06 0.02 0.46 0.87 -2.23 0.00 0.00 178.31 177.36 1qnn h LYS 108 N -0.26 0.72 0.13 1.11 1.57 -0.79 0.12 116.57 119.18 1qnn h LYS 108 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qnn h LYS 108 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1qnn h LYS 108 CO 0.02 0.48 -0.10 1.49 -0.57 0.00 0.00 179.45 180.77 1qnn h GLU 109 N 0.74 -0.22 -0.71 3.15 4.81 -0.88 0.38 114.58 121.85 1qnn h GLU 109 Ca 0.41 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1qnn h GLU 109 Cb 0.43 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1qnn h GLU 109 CO -0.28 -0.15 0.28 0.93 -0.73 0.00 0.00 179.01 179.07 1qnn h GLU 110 N -0.23 1.05 -0.49 1.92 5.08 -0.60 -1.64 114.58 119.66 1qnn h GLU 110 Ca -0.00 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1qnn h GLU 110 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1qnn h GLU 110 CO -0.01 0.85 0.07 0.35 -1.00 0.00 0.00 179.01 179.27 1qnn h PHE 111 N 1.03 0.88 -0.53 4.33 3.04 -0.51 -1.50 116.94 123.68 1qnn h PHE 111 Ca 0.24 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 1qnn h PHE 111 Cb 0.20 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 1qnn h PHE 111 CO 0.02 0.81 0.13 -0.91 -2.02 0.00 0.00 178.31 176.34 1qnn h ASN 112 N 0.70 0.80 -0.48 0.41 2.35 -0.66 -1.70 115.58 117.00 1qnn h ASN 112 Ca 0.15 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1qnn h ASN 112 Cb 0.41 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1qnn h ASN 112 CO 0.01 0.83 0.26 0.74 -1.65 0.00 0.00 177.43 177.62 1qnn h THR 113 N 0.74 1.17 -0.81 2.81 2.02 -1.20 0.82 112.91 118.46 1qnn h THR 113 Ca 0.17 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1qnn h THR 113 Cb 0.34 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1qnn h THR 113 CO 0.00 0.18 0.52 0.00 0.37 0.00 0.00 175.52 176.59 1qnn h ALA 114 N 1.10 1.06 -0.14 6.16 0.00 -1.05 0.17 119.26 126.55 1qnn h ALA 114 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1qnn h ALA 114 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1qnn h ALA 114 CO -0.03 0.34 -0.62 0.78 0.00 0.00 0.00 179.25 179.72 1qnn h GLY 115 N 1.00 0.56 1.88 0.00 0.00 -0.86 -2.25 103.07 103.41 1qnn h GLY 115 Ca 0.32 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1qnn h GLY 115 CO -0.11 0.63 -0.62 -0.84 0.00 0.00 0.00 176.54 175.60 1qnn h THR 116 N 0.38 1.42 0.01 4.70 2.02 -0.44 -3.25 112.91 117.75 1qnn h THR 116 Ca -0.01 -2.06 -0.19 0.00 0.77 0.00 0.00 66.41 64.92 1qnn h THR 116 Cb 1.18 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1qnn h THR 116 CO 0.11 0.60 -0.86 0.74 0.37 0.00 0.00 175.52 176.48 1qnn h THR 117 N 0.09 1.55 -1.97 3.16 2.02 -0.59 -3.45 112.91 113.72 1qnn h THR 117 Ca -0.01 -2.75 -0.59 0.00 0.77 0.00 0.00 66.41 63.83 1qnn h THR 117 Cb 1.11 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1qnn h THR 117 CO 0.09 0.79 1.39 -0.11 0.37 0.00 0.00 175.52 178.05 1qnn n LEU 118 N -3.60 3.36 -4.68 2.58 0.00 -0.85 -4.92 117.00 108.88 1qnn n LEU 118 Ca -0.02 0.46 -0.41 0.00 0.00 0.00 0.00 56.01 56.04 1qnn n LEU 118 Cb 0.81 -1.50 -0.04 0.00 0.00 0.00 0.00 43.42 42.69 1qnn n LEU 118 CO 0.46 -0.43 0.58 0.12 0.00 0.00 0.00 177.39 178.13 1qnn s PHE 119 N 6.91 3.47 0.00 1.96 5.36 -1.26 -4.84 117.98 129.58 1qnn s PHE 119 Ca 0.98 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 58.25 1qnn s PHE 119 Cb -0.45 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 1qnn s PHE 119 CO 0.40 -0.16 0.00 0.41 -1.46 0.00 0.00 175.22 174.41 1qnn n GLY 120 N 3.34 -0.67 3.85 13.12 0.00 -1.26 -4.92 105.19 118.65 1qnn n GLY 120 Ca 0.04 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 6.77 0.00 1.61 0.01 -1.26 -4.79 113.70 112.04 1qnn s SER 121 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1qnn s SER 121 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1qnn s SER 121 CO 0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1qnn n GLY 122 N 0.75 -1.00 2.97 3.44 0.00 -1.26 0.32 105.19 110.40 1qnn n GLY 122 Ca -0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 0.28 -0.16 1.61 0.52 0.83 -1.06 118.94 117.96 1qnn s TRP 123 Ca 0.00 -0.37 -0.02 0.00 0.02 0.00 0.00 56.10 55.73 1qnn s TRP 123 Cb 0.00 -0.19 -0.02 0.00 -1.15 0.00 0.00 33.47 32.12 1qnn s TRP 123 CO 0.00 -0.11 -0.09 0.54 0.02 0.00 0.00 176.95 177.31 1qnn s VAL 124 N -1.00 3.32 0.06 4.03 0.11 -0.82 -0.21 120.40 125.88 1qnn s VAL 124 Ca -0.10 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1qnn s VAL 124 Cb -0.07 -2.44 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 1qnn s VAL 124 CO -0.00 0.49 -0.22 0.26 -3.33 0.00 0.00 175.10 172.29 1qnn s TRP 125 N 0.68 1.93 -0.28 1.54 0.52 0.11 -0.99 118.94 122.45 1qnn s TRP 125 Ca -0.04 -0.39 -0.09 0.00 0.02 0.00 0.00 56.10 55.60 1qnn s TRP 125 Cb -0.15 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 1qnn s TRP 125 CO 0.02 0.13 0.13 -1.17 0.02 0.00 0.00 176.95 176.08 1qnn s LEU 126 N -1.35 3.85 0.21 2.99 2.96 0.99 0.56 118.68 128.89 1qnn s LEU 126 Ca 0.08 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1qnn s LEU 126 Cb -0.09 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1qnn s LEU 126 CO 0.02 -0.12 -0.15 0.00 -1.32 0.00 0.00 176.35 174.79 1qnn s ALA 127 N 1.63 2.06 0.01 5.97 0.00 -0.20 -0.09 121.76 131.14 1qnn s ALA 127 Ca 0.05 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.37 1qnn s ALA 127 Cb -0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1qnn s ALA 127 CO 0.06 0.08 -0.10 0.45 0.00 0.00 0.00 175.76 176.25 1qnn s SER 128 N -3.33 1.13 0.46 0.00 0.15 0.56 -1.10 113.70 111.56 1qnn s SER 128 Ca 0.23 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.63 1qnn s SER 128 Cb -0.01 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 1qnn s SER 128 CO 0.07 0.07 0.11 -0.90 1.20 0.00 0.00 173.24 173.79 1qnn n ASP 129 N 2.56 0.14 -0.29 5.45 3.85 -0.74 0.28 116.55 127.81 1qnn n ASP 129 Ca -0.15 -1.12 0.04 0.00 -0.71 0.00 0.00 54.79 52.85 1qnn n ASP 129 Cb 0.56 -0.08 0.18 0.00 -1.35 0.00 0.00 41.12 40.44 1qnn n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1qnn h ALA 130 N -0.58 1.19 -0.23 2.12 0.00 -1.91 -1.38 119.26 118.47 1qnn h ALA 130 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qnn h ALA 130 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qnn h ALA 130 CO 0.04 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1qnn n ASN 131 N -4.77 1.86 -0.85 0.00 5.03 -1.26 -4.88 115.26 110.39 1qnn n ASN 131 Ca 0.14 -2.13 -0.09 0.00 0.87 0.00 0.00 54.58 53.37 1qnn n ASN 131 Cb 0.31 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.71 1qnn n ASN 131 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qnn n GLY 132 N 0.62 0.71 3.71 7.41 0.00 -0.52 -4.99 105.19 112.13 1qnn n GLY 132 Ca 0.09 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.40 4.57 0.12 1.61 2.20 -1.26 -4.80 119.74 118.79 1qnn s LYS 133 Ca 0.00 1.37 -0.09 0.00 -0.36 0.00 0.00 55.97 56.89 1qnn s LYS 133 Cb 0.00 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1qnn s LYS 133 CO 0.00 0.02 0.43 -0.51 -0.36 0.00 0.00 175.35 174.93 1qnn s LEU 134 N 0.78 4.31 -0.06 5.43 1.43 -1.26 -1.79 118.68 127.52 1qnn s LEU 134 Ca 0.50 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 1qnn s LEU 134 Cb -0.21 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1qnn s LEU 134 CO 0.27 0.11 0.36 -0.94 0.23 0.00 0.00 176.35 176.38 1qnn s SER 135 N -1.97 -0.29 -0.37 2.29 1.04 -0.26 -5.00 113.70 109.14 1qnn s SER 135 Ca 0.37 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 57.00 1qnn s SER 135 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1qnn s SER 135 CO 0.20 -0.36 0.34 -0.63 0.98 0.00 0.00 173.24 173.76 1qnn s ILE 136 N -0.85 5.20 -0.23 -1.02 1.01 -1.26 -1.03 121.20 123.02 1qnn s ILE 136 Ca -0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1qnn s ILE 136 Cb -0.04 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1qnn s ILE 136 CO 0.04 -0.19 0.11 -1.61 0.00 0.00 0.00 174.94 173.28 1qnn s GLU 137 N 1.90 3.93 -0.39 2.79 0.41 0.19 -4.92 118.70 122.62 1qnn s GLU 137 Ca 0.09 -0.35 -0.19 0.00 -0.41 0.00 0.00 54.97 54.12 1qnn s GLU 137 Cb -0.17 -3.40 0.01 0.00 -1.78 0.00 0.00 34.13 28.79 1qnn s GLU 137 CO 0.11 0.05 0.54 0.15 -0.49 0.00 0.00 175.26 175.62 1qnn s LYS 138 N 1.03 3.42 -0.32 1.61 1.02 -1.26 0.06 119.74 125.30 1qnn s LYS 138 Ca 0.06 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 1qnn s LYS 138 Cb -0.14 -3.88 0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1qnn s LYS 138 CO 0.04 -0.79 0.08 -1.21 -0.92 0.00 0.00 175.35 172.54 1qnn s GLU 139 N 2.47 2.64 0.42 1.68 0.41 0.71 -4.99 118.70 122.04 1qnn s GLU 139 Ca 0.19 -1.15 -0.25 0.00 -0.41 0.00 0.00 54.97 53.34 1qnn s GLU 139 Cb -0.15 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 28.73 1qnn s GLU 139 CO 0.15 -0.62 1.23 -1.25 -0.49 0.00 0.00 175.26 174.27 1qnn s PRO 140 N 1.38 3.92 2.82 0.39 0.04 -1.26 -0.12 135.00 142.17 1qnn s PRO 140 Ca -0.02 1.97 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1qnn s PRO 140 Cb -0.19 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1qnn s PRO 140 CO 0.02 -0.48 0.00 0.09 0.04 0.00 0.00 177.00 176.67 1qnn n ASN 141 N -0.07 0.00 -1.31 6.66 3.02 0.15 -1.87 115.26 121.84 1qnn n ASN 141 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1qnn n ASN 141 Cb 0.46 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.93 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 8.52 2.37 -1.55 5.41 0.00 -1.26 -4.23 120.51 129.77 1qnn n ALA 142 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 53.44 51.81 1qnn n ALA 142 Cb 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1qnn n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qnn s GLY 143 N -1.04 2.65 -0.15 0.00 0.00 -0.78 -4.13 107.32 103.86 1qnn s GLY 143 Ca 0.47 1.09 -0.11 0.00 0.00 0.00 0.00 44.72 46.18 1qnn s GLY 143 CO 0.33 1.52 0.38 0.21 0.00 0.00 0.00 173.10 175.53 1qnn s ASN 144 N -1.63 -0.43 0.62 1.64 3.84 -1.26 -4.82 114.94 112.89 1qnn s ASN 144 Ca 0.80 0.79 0.25 0.00 0.21 0.00 0.00 52.86 54.91 1qnn s ASN 144 Cb -0.35 0.74 1.14 0.00 -0.55 0.00 0.00 41.25 42.23 1qnn s ASN 144 CO 0.43 -0.16 1.60 1.55 -2.79 0.00 0.00 177.10 177.72 1qnn h PRO 145 N 6.37 0.00 0.00 0.43 0.13 -1.96 -0.55 132.00 136.41 1qnn h PRO 145 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1qnn h PRO 145 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1qnn h PRO 145 CO 0.29 0.00 -0.03 -0.39 -0.23 0.00 0.00 178.00 177.64 1qnn h VAL 146 N 0.00 0.45 -0.67 1.56 -1.51 -1.93 -0.61 116.25 113.53 1qnn h VAL 146 Ca 0.24 -0.16 0.01 0.00 -1.23 0.00 0.00 66.70 65.55 1qnn h VAL 146 Cb 1.76 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 32.00 1qnn h VAL 146 CO -0.00 0.03 0.44 -0.09 -1.23 0.00 0.00 177.57 176.72 1qnn h ARG 147 N 0.00 0.89 -0.17 5.19 9.65 -1.35 -0.41 114.38 128.18 1qnn h ARG 147 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1qnn h ARG 147 Cb 0.11 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1qnn h ARG 147 CO 0.00 0.59 0.00 1.63 2.80 0.00 0.00 179.97 185.00 1qnn n LYS 148 N -4.61 1.43 -1.38 0.20 5.02 -0.37 -4.87 118.16 113.58 1qnn n LYS 148 Ca 0.06 -0.66 -0.04 0.00 -2.02 0.00 0.00 58.31 55.65 1qnn n LYS 148 Cb 0.02 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.83 0.55 3.98 0.72 0.00 -0.16 -5.04 105.19 106.08 1qnn n GLY 149 Ca 0.08 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.95 3.93 -0.31 0.99 1.43 -0.45 -4.84 118.68 118.48 1qnn s LEU 150 Ca 0.00 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1qnn s LEU 150 Cb 0.00 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1qnn s LEU 150 CO 0.00 -0.45 0.19 0.21 0.23 0.00 0.00 176.35 176.54 1qnn s ASN 151 N -4.17 5.87 -0.26 2.29 2.47 0.14 -3.47 114.94 117.80 1qnn s ASN 151 Ca 0.45 -0.31 -0.29 0.00 0.42 0.00 0.00 52.86 53.13 1qnn s ASN 151 Cb -0.09 -2.09 0.01 0.00 -1.45 0.00 0.00 41.25 37.63 1qnn s ASN 151 CO 0.31 -0.16 1.11 -2.16 -3.72 0.00 0.00 177.10 172.49 1qnn s PRO 152 N 1.70 4.15 -0.22 0.43 0.04 -1.26 -0.32 135.00 139.52 1qnn s PRO 152 Ca 0.06 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 1qnn s PRO 152 Cb -0.17 -3.72 -0.10 0.00 0.04 0.00 0.00 34.50 30.55 1qnn s PRO 152 CO 0.09 -0.80 -0.24 1.28 0.04 0.00 0.00 177.00 177.37 1qnn n LEU 153 N 6.71 1.92 -3.79 -3.56 4.77 0.87 -4.99 117.00 118.93 1qnn n LEU 153 Ca 0.13 0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 56.30 1qnn n LEU 153 Cb 0.46 -0.82 -0.17 0.00 -2.33 0.00 0.00 43.42 40.56 1qnn n LEU 153 CO 0.56 0.10 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.13 1qnn s LEU 154 N -7.80 0.89 -0.05 2.23 2.96 -1.06 -4.84 118.68 111.01 1qnn s LEU 154 Ca -0.31 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1qnn s LEU 154 Cb 0.08 -0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.49 1qnn s LEU 154 CO 0.45 -0.14 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.37 1qnn s GLY 155 N 1.42 0.79 -0.16 7.98 0.00 -1.26 -0.01 107.32 116.08 1qnn s GLY 155 Ca -0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.13 1qnn s GLY 155 CO -0.03 -0.09 0.02 -1.36 0.00 0.00 0.00 173.10 171.65 1qnn s PHE 156 N 0.34 3.18 -0.38 1.90 0.08 -0.16 -4.77 117.98 118.17 1qnn s PHE 156 Ca -0.08 -0.01 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 1qnn s PHE 156 Cb -0.13 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1qnn s PHE 156 CO 0.03 0.16 0.88 0.34 -0.10 0.00 0.00 175.22 176.53 1qnn s ASP 157 N 0.14 6.62 -0.13 1.36 -1.08 -1.26 -1.95 116.67 120.37 1qnn s ASP 157 Ca 0.03 0.45 0.16 0.00 -0.52 0.00 0.00 52.55 52.67 1qnn s ASP 157 Cb -0.13 -2.44 0.64 0.00 -1.46 0.00 0.00 42.92 39.53 1qnn s ASP 157 CO 0.01 -0.84 1.55 1.33 0.52 0.00 0.00 175.17 177.75 1qnn n VAL 158 N 5.97 1.96 -2.13 1.11 0.24 -0.23 -4.79 118.33 120.47 1qnn n VAL 158 Ca 0.06 -1.35 -0.39 0.00 -2.04 0.00 0.00 64.34 60.61 1qnn n VAL 158 Cb 0.48 0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.08 2.91 0.48 6.34 0.52 -1.22 -4.45 118.94 121.44 1qnn s TRP 159 Ca 0.46 1.46 0.17 0.00 0.02 0.00 0.00 56.10 58.21 1qnn s TRP 159 Cb 0.32 -3.58 1.19 0.00 -1.15 0.00 0.00 33.47 30.24 1qnn s TRP 159 CO 0.19 -1.83 2.05 0.93 0.02 0.00 0.00 176.95 178.30 1qnn h GLU 160 N 2.70 0.18 0.00 4.98 5.08 -1.92 -1.10 114.58 124.50 1qnn h GLU 160 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1qnn h GLU 160 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1qnn h GLU 160 CO 0.63 0.12 0.00 1.12 -1.00 0.00 0.00 179.01 179.88 1qnn h HIS 161 N 0.18 0.00 0.00 4.33 2.07 -1.97 0.12 115.15 119.89 1qnn h HIS 161 Ca 0.17 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.65 1qnn h HIS 161 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1qnn h HIS 161 CO -0.00 0.00 -0.21 0.00 -3.07 0.00 0.00 177.93 174.65 1qnn h ALA 162 N 2.04 1.00 0.00 6.11 0.00 -1.50 -3.39 119.26 123.52 1qnn h ALA 162 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qnn h ALA 162 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qnn h ALA 162 CO 0.00 0.26 0.00 2.48 0.00 0.00 0.00 179.25 181.99 1qnn n TYR 163 N -3.34 0.00 -0.28 0.00 0.18 -0.77 -4.94 117.16 108.01 1qnn n TYR 163 Ca 0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.94 1qnn n TYR 163 Cb 0.43 0.00 0.42 0.00 -0.38 0.00 0.00 39.34 39.81 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 0.77 0.00 -3.48 3.20 -0.99 0.18 116.97 116.65 1qnn h TYR 164 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1qnn h TYR 164 Cb 0.00 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1qnn h TYR 164 CO 0.00 0.22 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.58 1qnn h LEU 165 N 0.60 0.00 0.00 2.82 3.38 -1.86 -1.75 115.31 118.50 1qnn h LEU 165 Ca 0.49 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.25 1qnn h LEU 165 Cb 0.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1qnn h LEU 165 CO -0.24 0.09 -1.79 0.41 0.09 0.00 0.00 178.44 177.00 1qnn n THR 166 N -4.30 0.80 0.65 0.22 -1.04 -0.70 -4.77 114.28 105.13 1qnn n THR 166 Ca -0.03 -0.31 0.07 0.00 -2.04 0.00 0.00 64.05 61.75 1qnn n THR 166 Cb 0.17 -0.99 -0.09 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.91 0.00 0.00 -1.42 4.01 0.56 -5.05 117.16 112.35 1qnn n TYR 167 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 1qnn n TYR 167 Cb 0.76 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 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 -1.44 0.00 0.00 -0.72 3.00 -0.66 -0.43 117.38 117.14 1qnn n GLN 168 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.16 1qnn n GLN 168 Cb 0.26 0.00 0.76 0.00 0.00 0.00 0.00 30.24 31.26 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 6.01 0.00 -3.36 1.08 6.94 -1.26 -4.39 115.26 120.28 1qnn n ASN 169 Ca 0.00 -0.15 -0.39 0.00 -0.02 0.00 0.00 54.58 54.02 1qnn n ASN 169 Cb 0.00 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1qnn n ASN 169 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1qnn n ARG 170 N -1.28 3.95 -0.27 -3.83 1.74 0.43 -4.69 116.66 112.70 1qnn n ARG 170 Ca 0.14 -2.55 0.01 0.00 -0.77 0.00 0.00 57.85 54.68 1qnn n ARG 170 Cb 0.24 -2.76 0.13 0.00 -1.02 0.00 0.00 32.46 29.06 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 4.90 0.74 -0.76 5.56 2.43 -1.83 -2.31 114.38 123.11 1qnn h ARG 171 Ca 0.83 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 60.01 1qnn h ARG 171 Cb 0.29 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 1qnn h ARG 171 CO 1.71 0.49 0.46 0.00 -1.51 0.00 0.00 179.97 181.11 1qnn h ALA 172 N 1.40 1.03 -0.78 2.80 0.00 -1.96 -1.07 119.26 120.68 1qnn h ALA 172 Ca 0.35 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1qnn h ALA 172 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1qnn h ALA 172 CO -0.21 0.18 0.31 -0.44 0.00 0.00 0.00 179.25 179.08 1qnn h ASP 173 N 0.84 1.09 -0.55 0.00 3.45 -1.82 -2.20 116.42 117.23 1qnn h ASP 173 Ca 0.33 -0.18 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 1qnn h ASP 173 Cb 0.15 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1qnn h ASP 173 CO -0.17 0.97 0.19 -0.74 -1.57 0.00 0.00 179.24 177.92 1qnn h HIS 174 N 1.14 0.86 -0.04 4.55 2.76 -0.95 -2.21 115.15 121.26 1qnn h HIS 174 Ca 0.26 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1qnn h HIS 174 Cb 0.23 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1qnn h HIS 174 CO 0.02 0.72 -0.33 -0.07 -1.30 0.00 0.00 177.93 176.97 1qnn h LEU 175 N 0.75 0.07 -0.58 0.26 3.38 -0.97 -1.44 115.31 116.78 1qnn h LEU 175 Ca 0.18 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1qnn h LEU 175 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1qnn h LEU 175 CO -0.01 0.40 -0.66 0.50 0.09 0.00 0.00 178.44 178.76 1qnn h LYS 176 N 0.07 0.21 0.00 1.13 3.64 -1.17 -3.18 116.57 117.26 1qnn h LYS 176 Ca 0.01 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.04 1qnn h LYS 176 Cb 0.62 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1qnn h LYS 176 CO 0.05 0.79 -0.89 -0.44 -2.27 0.00 0.00 179.45 176.69 1qnn h ASP 177 N 0.15 0.00 -0.70 4.20 3.45 -0.91 -3.32 116.42 119.28 1qnn h ASP 177 Ca -0.01 0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.56 1qnn h ASP 177 Cb 1.19 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.91 1qnn h ASP 177 CO 0.10 0.89 0.47 -0.07 -1.57 0.00 0.00 179.24 179.05 1qnn h LEU 178 N 0.00 0.44 -1.72 1.55 3.38 -1.26 -1.97 115.31 115.74 1qnn h LEU 178 Ca -0.01 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1qnn h LEU 178 Cb 1.57 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 1qnn h LEU 178 CO 0.12 0.25 0.38 -0.50 0.09 0.00 0.00 178.44 178.78 1qnn h TRP 179 N 0.48 0.33 0.00 1.13 4.06 -1.70 -1.59 115.95 118.67 1qnn h TRP 179 Ca 0.33 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.26 1qnn h TRP 179 Cb 0.64 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1qnn h TRP 179 CO -0.00 0.16 -0.14 0.66 -3.56 0.00 0.00 178.44 175.56 1qnn h SER 180 N 0.31 0.00 -0.39 -3.49 4.64 -1.59 -2.83 113.55 110.19 1qnn h SER 180 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1qnn h SER 180 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1qnn h SER 180 CO -0.06 0.14 0.00 2.30 -0.87 0.00 0.00 176.83 178.33 1qnn n ILE 181 N -3.84 1.62 -2.80 0.95 -5.35 -0.60 -2.98 119.36 106.36 1qnn n ILE 181 Ca -0.02 -1.34 -0.41 0.00 -0.27 0.00 0.00 62.75 60.71 1qnn n ILE 181 Cb 0.24 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.80 4.90 -0.75 7.28 1.01 -1.07 -1.66 120.40 128.32 1qnn s VAL 182 Ca 0.36 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 64.06 1qnn s VAL 182 Cb 0.24 -4.24 0.16 0.00 0.00 0.00 0.00 36.38 32.55 1qnn s VAL 182 CO 0.16 0.15 0.77 -0.62 0.00 0.00 0.00 175.10 175.56 1qnn s ASP 183 N 0.98 6.52 0.57 3.32 2.15 -0.72 -0.38 116.67 129.11 1qnn s ASP 183 Ca 0.47 -2.16 0.26 0.00 0.43 0.00 0.00 52.55 51.55 1qnn s ASP 183 Cb -0.20 -2.26 1.61 0.00 -0.30 0.00 0.00 42.92 41.77 1qnn s ASP 183 CO 0.23 -0.82 2.15 -0.50 -0.17 0.00 0.00 175.17 176.06 1qnn h TRP 184 N 8.45 0.00 -0.87 -5.34 4.06 -1.86 -1.39 115.95 119.01 1qnn h TRP 184 Ca -0.04 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1qnn h TRP 184 Cb 1.06 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.18 1qnn h TRP 184 CO 0.96 0.00 0.52 -0.44 -3.56 0.00 0.00 178.44 175.93 1qnn h ASP 185 N 0.00 1.04 0.57 -3.49 3.45 -1.94 0.99 116.42 117.03 1qnn h ASP 185 Ca 0.05 -0.06 -0.16 0.00 0.43 0.00 0.00 57.03 57.29 1qnn h ASP 185 Cb 0.27 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 1qnn h ASP 185 CO -0.00 0.80 -0.73 0.40 -1.57 0.00 0.00 179.24 178.14 1qnn h ILE 186 N 1.19 1.47 -0.14 0.35 2.04 -1.62 -2.84 117.51 117.96 1qnn h ILE 186 Ca 0.31 -2.35 -0.17 0.00 1.00 0.00 0.00 64.86 63.65 1qnn h ILE 186 Cb -0.05 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1qnn h ILE 186 CO -0.06 0.68 -0.62 0.58 0.00 0.00 0.00 178.15 178.73 1qnn h VAL 187 N 0.09 1.34 -0.35 1.67 2.07 -1.11 -3.02 116.25 116.94 1qnn h VAL 187 Ca -0.02 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 1qnn h VAL 187 Cb 1.29 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1qnn h VAL 187 CO 0.11 0.59 -0.12 -0.33 0.02 0.00 0.00 177.57 177.84 1qnn h GLU 188 N 0.36 0.60 0.00 1.57 4.39 -0.77 -2.57 114.58 118.16 1qnn h GLU 188 Ca -0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1qnn h GLU 188 Cb 1.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1qnn h GLU 188 CO 0.11 0.71 0.00 -1.13 -1.16 0.00 0.00 179.01 177.54 1qnn n SER 189 N -4.19 0.00 -0.01 1.42 3.41 -1.08 -2.08 113.62 111.10 1qnn n SER 189 Ca 0.01 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 59.04 1qnn n SER 189 Cb 0.34 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 1qnn n SER 189 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qnn n ARG 190 N -1.39 0.58 0.00 4.33 1.74 -0.97 -5.11 116.66 115.84 1qnn n ARG 190 Ca 0.03 -0.14 0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1qnn n ARG 190 Cb 0.10 -1.47 0.82 0.00 -1.02 0.00 0.00 32.46 30.88 1qnn n ARG 190 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09