#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyj h LEU 14 N 0.00 0.52 -0.24 -2.67 3.38 -1.99 -3.09 115.31 111.21 2qyj h LEU 14 Ca 0.00 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2qyj h LEU 14 Cb 0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2qyj h LEU 14 CO 0.00 0.83 -0.12 1.23 0.09 0.00 0.00 178.44 180.47 2qyj h GLY 15 N 1.07 0.09 0.53 0.83 0.00 -1.94 -0.18 103.07 103.47 2qyj h GLY 15 Ca 0.05 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.61 2qyj h GLY 15 CO 0.07 -0.14 0.40 0.50 0.00 0.00 0.00 176.54 177.37 2qyj h LYS 16 N -0.09 0.67 -0.65 4.80 1.57 -1.92 -1.53 116.57 119.43 2qyj h LYS 16 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2qyj h LYS 16 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2qyj h LYS 16 CO -0.30 0.44 0.31 0.87 -0.57 0.00 0.00 179.45 180.21 2qyj h LYS 17 N 0.69 0.93 -0.65 3.15 1.57 -1.34 -2.31 116.57 118.61 2qyj h LYS 17 Ca 0.36 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2qyj h LYS 17 Cb 0.33 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2qyj h LYS 17 CO -0.24 0.75 0.12 1.25 -0.57 0.00 0.00 179.45 180.76 2qyj h LEU 18 N 0.89 1.02 -0.21 2.94 5.85 -0.60 -0.44 115.31 124.76 2qyj h LEU 18 Ca 0.22 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2qyj h LEU 18 Cb 0.12 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2qyj h LEU 18 CO -0.03 1.01 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.96 2qyj h LEU 19 N 0.98 -0.18 -0.35 2.25 3.38 -1.17 0.33 115.31 120.55 2qyj h LEU 19 Ca 0.20 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2qyj h LEU 19 Cb 0.41 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2qyj h LEU 19 CO 0.01 -0.06 0.08 -0.33 0.09 0.00 0.00 178.44 178.22 2qyj h GLU 20 N 0.00 0.56 -0.63 1.13 5.08 -1.19 -1.01 114.58 118.53 2qyj h GLU 20 Ca 0.10 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2qyj h GLU 20 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2qyj h GLU 20 CO -0.21 0.62 0.27 0.00 -1.00 0.00 0.00 179.01 178.69 2qyj h ALA 21 N 0.92 0.82 -0.60 3.43 0.00 -0.90 0.61 119.26 123.53 2qyj h ALA 21 Ca 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qyj h ALA 21 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2qyj h ALA 21 CO 0.00 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.87 2qyj h ALA 22 N 1.11 0.78 -0.52 0.00 0.00 -0.17 -0.82 119.26 119.64 2qyj h ALA 22 Ca 0.21 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2qyj h ALA 22 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2qyj h ALA 22 CO -0.02 0.43 -0.03 -0.09 0.00 0.00 0.00 179.25 179.55 2qyj h ARG 23 N 0.84 0.94 -0.00 0.00 2.43 -0.92 -3.08 114.38 114.59 2qyj h ARG 23 Ca 0.19 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2qyj h ARG 23 Cb 0.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qyj h ARG 23 CO -0.01 0.97 -0.05 0.00 -1.51 0.00 0.00 179.97 179.37 2qyj n ALA 24 N -2.46 2.45 -2.46 2.80 0.00 0.18 -4.89 120.51 116.13 2qyj n ALA 24 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 2qyj n ALA 24 Cb 0.34 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.36 2qyj n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyj n GLY 25 N 1.49 0.40 3.41 0.00 0.00 -0.51 -4.96 105.19 105.02 2qyj n GLY 25 Ca 0.07 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 2qyj n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qyj s GLN 26 N -4.83 3.84 0.11 1.61 -1.52 -0.43 -4.90 119.66 113.54 2qyj s GLN 26 Ca 0.08 -2.36 -0.26 0.00 -1.95 0.00 0.00 55.36 50.86 2qyj s GLN 26 Cb -0.03 -4.81 -0.09 0.00 -0.22 0.00 0.00 33.01 27.85 2qyj s GLN 26 CO 0.09 -1.60 1.65 -0.44 -0.25 0.00 0.00 175.29 174.75 2qyj h ASP 27 N 7.80 -0.62 -0.68 5.90 5.19 -1.93 -0.25 116.42 131.83 2qyj h ASP 27 Ca 0.20 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 2qyj h ASP 27 Cb 0.96 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.67 2qyj h ASP 27 CO 1.07 -0.31 0.39 0.44 -3.12 0.00 0.00 179.24 177.70 2qyj h ASP 28 N -0.42 0.86 -0.33 6.45 3.45 -1.99 -0.91 116.42 123.53 2qyj h ASP 28 Ca 0.03 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 2qyj h ASP 28 Cb 0.44 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 2qyj h ASP 28 CO -0.12 0.69 0.10 -0.33 -1.57 0.00 0.00 179.24 178.00 2qyj h GLU 29 N 0.97 0.52 -0.36 3.56 5.08 -1.87 -0.79 114.58 121.70 2qyj h GLU 29 Ca 0.25 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2qyj h GLU 29 Cb 0.02 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2qyj h GLU 29 CO -0.04 0.56 0.09 0.28 -1.00 0.00 0.00 179.01 178.91 2qyj h VAL 30 N 0.38 0.85 -0.17 3.13 2.07 -0.63 -0.03 116.25 121.85 2qyj h VAL 30 Ca 0.11 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2qyj h VAL 30 Cb 0.27 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2qyj h VAL 30 CO -0.00 0.04 0.08 -0.09 0.02 0.00 0.00 177.57 177.62 2qyj h ARG 31 N 0.23 0.17 -0.52 1.57 2.43 -0.94 -0.57 114.38 116.74 2qyj h ARG 31 Ca 0.17 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2qyj h ARG 31 Cb 0.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2qyj h ARG 31 CO -0.20 0.11 -0.02 0.82 -1.51 0.00 0.00 179.97 179.17 2qyj h ILE 32 N 0.18 1.27 -0.35 1.20 2.04 -0.90 -0.11 117.51 120.83 2qyj h ILE 32 Ca 0.07 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 2qyj h ILE 32 Cb 0.01 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2qyj h ILE 32 CO -0.05 0.40 0.22 -0.07 0.00 0.00 0.00 178.15 178.65 2qyj h LEU 33 N 0.81 0.41 -0.50 1.44 3.38 -0.80 -2.05 115.31 118.00 2qyj h LEU 33 Ca 0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2qyj h LEU 33 Cb 0.56 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qyj h LEU 33 CO 0.03 0.33 0.06 0.24 0.09 0.00 0.00 178.44 179.20 2qyj h MET 34 N 0.46 0.84 -0.00 1.13 2.86 -1.01 -1.59 114.93 117.61 2qyj h MET 34 Ca 0.13 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2qyj h MET 34 Cb -0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2qyj h MET 34 CO -0.02 0.84 0.01 0.00 1.06 0.00 0.00 176.91 178.80 2qyj h ALA 35 N 0.96 1.19 -0.24 6.32 0.00 -0.71 -2.53 119.26 124.26 2qyj h ALA 35 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qyj h ALA 35 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2qyj h ALA 35 CO 0.01 -0.01 -0.00 0.09 0.00 0.00 0.00 179.25 179.34 2qyj n ASN 36 N -3.34 3.63 0.00 0.00 4.13 -0.80 -4.97 115.26 113.92 2qyj n ASN 36 Ca -0.03 -3.07 0.00 0.00 1.68 0.00 0.00 54.58 53.16 2qyj n ASN 36 Cb 0.08 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 2qyj n ASN 36 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qyj n GLY 37 N -0.66 0.81 3.71 7.41 0.00 -0.95 -5.02 105.19 110.50 2qyj n GLY 37 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2qyj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qyj n ALA 38 N -1.63 1.72 -2.46 4.61 0.00 -0.65 -4.94 120.51 117.15 2qyj n ALA 38 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2qyj n ALA 38 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.09 2qyj n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qyj s ASP 39 N 0.10 6.67 0.61 0.00 3.68 -1.26 -4.77 116.67 121.69 2qyj s ASP 39 Ca 0.61 1.06 0.36 0.00 2.13 0.00 0.00 52.55 56.71 2qyj s ASP 39 Cb -0.56 -2.54 1.97 0.00 -1.45 0.00 0.00 42.92 40.34 2qyj s ASP 39 CO 0.55 -1.11 2.25 -0.37 0.13 0.00 0.00 175.17 176.62 2qyj h VAL 40 N 6.01 0.27 -0.52 1.11 -1.51 -1.92 -2.68 116.25 117.01 2qyj h VAL 40 Ca -0.25 -0.15 -0.22 0.00 -1.23 0.00 0.00 66.70 64.85 2qyj h VAL 40 Cb 1.09 1.11 -0.13 0.00 -2.13 0.00 0.00 31.29 31.23 2qyj h VAL 40 CO 1.05 0.02 0.13 0.59 -1.23 0.00 0.00 177.57 178.13 2qyj n ASN 41 N -3.42 3.34 -4.71 4.19 3.02 -1.26 -4.35 115.26 112.08 2qyj n ASN 41 Ca -0.02 -3.52 -0.38 0.00 -0.03 0.00 0.00 54.58 50.62 2qyj n ASN 41 Cb 0.13 -0.68 0.05 0.00 -0.61 0.00 0.00 39.78 38.67 2qyj n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyj n ALA 42 N -0.87 1.14 -2.60 5.41 0.00 -1.01 -4.99 120.51 117.59 2qyj n ALA 42 Ca 0.37 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 2qyj n ALA 42 Cb 1.19 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.20 2qyj n ALA 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qyj s LYS 43 N -2.96 1.32 0.00 0.00 1.02 -1.26 -4.02 119.74 113.84 2qyj s LYS 43 Ca 0.75 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2qyj s LYS 43 Cb -0.41 -1.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2qyj s LYS 43 CO 0.47 0.32 0.00 -0.40 -0.92 0.00 0.00 175.35 174.81 2qyj n ASP 44 N 2.77 0.00 -0.06 2.83 5.75 -0.15 -4.89 116.55 122.80 2qyj n ASP 44 Ca -0.15 -0.83 0.01 0.00 -0.01 0.00 0.00 54.79 53.81 2qyj n ASP 44 Cb 0.54 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.95 2qyj n ASP 44 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2qyj h LYS 45 N 0.00 0.67 -0.30 0.11 2.10 -2.01 -2.19 116.57 114.94 2qyj h LYS 45 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2qyj h LYS 45 Cb 0.00 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2qyj h LYS 45 CO 0.00 0.53 0.00 -0.25 -2.00 0.00 0.00 179.45 177.73 2qyj n ASP 46 N -4.38 2.16 0.00 7.07 8.00 -1.26 -4.92 116.55 123.22 2qyj n ASP 46 Ca 0.04 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.68 2qyj n ASP 46 Cb 0.13 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2qyj n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qyj n GLY 47 N 1.20 0.70 3.76 0.44 0.00 -0.82 -0.94 105.19 109.53 2qyj n GLY 47 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qyj n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qyj s TYR 48 N -2.70 2.93 0.38 1.61 4.12 -1.26 -4.06 117.35 118.37 2qyj s TYR 48 Ca 0.00 1.18 0.08 0.00 0.02 0.00 0.00 57.07 58.34 2qyj s TYR 48 Cb 0.00 -3.83 -0.03 0.00 -1.52 0.00 0.00 41.96 36.59 2qyj s TYR 48 CO 0.00 -2.50 0.31 0.95 0.02 0.00 0.00 175.55 174.33 2qyj s THR 49 N -0.62 3.03 0.37 -0.71 -4.23 -1.26 -0.97 115.64 111.24 2qyj s THR 49 Ca 0.55 -1.40 0.12 0.00 -1.18 0.00 0.00 61.69 59.78 2qyj s THR 49 Cb -0.42 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 70.69 2qyj s THR 49 CO 0.51 -0.09 1.82 -0.65 -0.54 0.00 0.00 174.62 175.67 2qyj h PRO 50 N 1.18 0.56 -0.34 3.99 0.11 -1.76 -1.41 132.00 134.33 2qyj h PRO 50 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2qyj h PRO 50 Cb 1.26 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2qyj h PRO 50 CO 0.59 0.37 0.13 1.25 -0.21 0.00 0.00 178.00 180.13 2qyj h LEU 51 N 0.58 0.48 -0.51 2.35 5.85 -1.93 -0.98 115.31 121.14 2qyj h LEU 51 Ca 0.52 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2qyj h LEU 51 Cb 1.04 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 2qyj h LEU 51 CO -0.26 0.53 -0.09 0.45 -0.34 0.00 0.00 178.44 178.72 2qyj h HIS 52 N 0.41 -0.21 -0.19 1.25 3.86 -1.65 -0.84 115.15 117.79 2qyj h HIS 52 Ca 0.11 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 2qyj h HIS 52 Cb 0.20 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2qyj h HIS 52 CO -0.00 -0.20 -0.32 -0.07 0.86 0.00 0.00 177.93 178.20 2qyj h LEU 53 N 0.03 0.60 -0.44 2.43 3.38 -1.16 -0.28 115.31 119.87 2qyj h LEU 53 Ca 0.25 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2qyj h LEU 53 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2qyj h LEU 53 CO -0.50 1.02 0.15 0.00 0.09 0.00 0.00 178.44 179.20 2qyj h ALA 54 N 0.60 0.57 -0.62 1.53 0.00 -1.15 -1.91 119.26 118.28 2qyj h ALA 54 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qyj h ALA 54 Cb 0.91 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2qyj h ALA 54 CO 0.07 0.20 0.39 0.00 0.00 0.00 0.00 179.25 179.91 2qyj h ALA 55 N 1.00 0.79 -0.60 0.00 0.00 -1.02 -1.19 119.26 118.24 2qyj h ALA 55 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qyj h ALA 55 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qyj h ALA 55 CO -0.01 0.25 0.30 -0.09 0.00 0.00 0.00 179.25 179.70 2qyj h ARG 56 N 0.84 0.85 0.00 0.00 2.43 -0.94 -3.25 114.38 114.32 2qyj h ARG 56 Ca 0.22 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qyj h ARG 56 Cb -0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2qyj h ARG 56 CO -0.04 0.68 -0.40 0.39 -1.51 0.00 0.00 179.97 179.08 2qyj n GLU 57 N -4.54 0.18 -0.05 0.20 -0.58 -0.73 -4.88 120.64 110.24 2qyj n GLU 57 Ca 0.04 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2qyj n GLU 57 Cb 0.11 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 2qyj n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qyj n GLY 58 N 1.39 0.97 3.48 0.62 0.00 -0.53 -5.03 105.19 106.09 2qyj n GLY 58 Ca 0.05 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2qyj n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qyj s HIS 59 N -2.00 3.13 0.13 1.61 3.76 -0.70 -4.85 115.29 116.37 2qyj s HIS 59 Ca 0.00 -1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 53.23 2qyj s HIS 59 Cb 0.00 -4.38 -0.01 0.00 1.11 0.00 0.00 32.58 29.30 2qyj s HIS 59 CO 0.00 -1.54 1.58 1.25 -0.85 0.00 0.00 174.74 175.18 2qyj h LEU 60 N 10.68 0.75 -0.65 0.89 5.85 -1.96 -1.50 115.31 129.38 2qyj h LEU 60 Ca 0.23 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 2qyj h LEU 60 Cb 0.97 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2qyj h LEU 60 CO 1.21 0.88 -0.23 -0.33 -0.34 0.00 0.00 178.44 179.63 2qyj h GLU 61 N 0.60 0.81 -0.50 1.25 3.07 -1.99 -1.06 114.58 116.77 2qyj h GLU 61 Ca 0.12 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 2qyj h GLU 61 Cb 0.50 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2qyj h GLU 61 CO 0.02 0.96 0.21 0.82 -1.40 0.00 0.00 179.01 179.62 2qyj h ILE 62 N 0.71 1.21 -0.34 3.13 2.04 -1.93 -1.49 117.51 120.83 2qyj h ILE 62 Ca 0.10 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.39 2qyj h ILE 62 Cb 0.75 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 2qyj h ILE 62 CO 0.06 0.24 -0.12 0.58 0.00 0.00 0.00 178.15 178.91 2qyj h VAL 63 N 0.67 0.59 -0.54 1.67 2.07 -0.94 -0.90 116.25 118.87 2qyj h VAL 63 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2qyj h VAL 63 Cb 0.18 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2qyj h VAL 63 CO -0.02 0.00 0.32 -0.33 0.02 0.00 0.00 177.57 177.56 2qyj h GLU 64 N -0.05 0.74 -0.83 1.57 5.08 -1.03 -1.00 114.58 119.07 2qyj h GLU 64 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2qyj h GLU 64 Cb 0.30 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2qyj h GLU 64 CO -0.38 0.55 0.53 0.28 -1.00 0.00 0.00 179.01 178.99 2qyj h VAL 65 N 0.73 1.22 -0.27 3.13 2.07 -0.96 -2.09 116.25 120.07 2qyj h VAL 65 Ca 0.19 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 2qyj h VAL 65 Cb 0.01 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2qyj h VAL 65 CO -0.03 0.22 -0.32 -0.07 0.02 0.00 0.00 177.57 177.39 2qyj h LEU 66 N 1.13 0.75 -0.46 2.57 3.38 -0.85 -2.82 115.31 119.02 2qyj h LEU 66 Ca 0.30 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2qyj h LEU 66 Cb -0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2qyj h LEU 66 CO -0.06 1.09 0.16 -0.07 0.09 0.00 0.00 178.44 179.66 2qyj h LEU 67 N 0.43 0.17 -1.69 1.67 3.38 -1.04 -1.83 115.31 116.40 2qyj h LEU 67 Ca 0.04 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2qyj h LEU 67 Cb 0.90 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2qyj h LEU 67 CO 0.08 0.13 -0.19 0.11 0.09 0.00 0.00 178.44 178.66 2qyj h LYS 68 N 0.33 0.00 -0.11 1.13 1.57 -1.35 -1.38 116.57 116.76 2qyj h LYS 68 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2qyj h LYS 68 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qyj h LYS 68 CO -0.22 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 2qyj n ALA 69 N -2.40 2.54 -0.63 3.86 0.00 -0.84 -4.91 120.51 118.13 2qyj n ALA 69 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2qyj n ALA 69 Cb 0.27 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2qyj n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyj n GLY 70 N 0.91 0.64 3.60 0.00 0.00 -0.52 -4.95 105.19 104.88 2qyj n GLY 70 Ca 0.12 -0.39 -0.48 0.00 0.00 0.00 0.00 46.02 45.28 2qyj n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qyj n ALA 71 N -0.10 -0.27 -1.68 4.61 0.00 -0.75 -4.83 120.51 117.49 2qyj n ALA 71 Ca 0.00 0.45 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2qyj n ALA 71 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 2qyj n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qyj s ASP 72 N 0.12 5.01 0.57 0.00 2.15 -1.26 -4.80 116.67 118.46 2qyj s ASP 72 Ca 0.73 1.26 0.33 0.00 0.43 0.00 0.00 52.55 55.30 2qyj s ASP 72 Cb -0.80 -2.51 1.74 0.00 -0.30 0.00 0.00 42.92 41.05 2qyj s ASP 72 CO 0.51 -2.41 2.16 1.62 -0.17 0.00 0.00 175.17 176.88 2qyj h VAL 73 N 7.33 0.33 -0.33 1.11 3.04 -1.91 -2.57 116.25 123.24 2qyj h VAL 73 Ca -0.31 -0.32 -0.13 0.00 -1.01 0.00 0.00 66.70 64.94 2qyj h VAL 73 Cb 1.23 1.24 -0.07 0.00 -2.01 0.00 0.00 31.29 31.68 2qyj h VAL 73 CO 1.09 0.05 -0.02 0.59 -1.01 0.00 0.00 177.57 178.27 2qyj n ASN 74 N -3.44 3.01 -4.75 3.17 3.02 -1.26 -4.43 115.26 110.59 2qyj n ASN 74 Ca -0.02 -3.49 -0.42 0.00 -0.03 0.00 0.00 54.58 50.63 2qyj n ASN 74 Cb 0.18 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 2qyj n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyj n ALA 75 N -0.92 2.26 -2.66 5.41 0.00 -0.97 -4.94 120.51 118.69 2qyj n ALA 75 Ca 0.30 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.76 2qyj n ALA 75 Cb 1.00 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 2qyj n ALA 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qyj s LYS 76 N -1.24 2.92 0.64 0.00 1.02 -1.26 -4.07 119.74 117.76 2qyj s LYS 76 Ca 0.59 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.98 2qyj s LYS 76 Cb -0.51 -2.69 0.15 0.00 -0.52 0.00 0.00 37.83 34.26 2qyj s LYS 76 CO 0.56 0.63 0.88 -0.40 -0.92 0.00 0.00 175.35 176.09 2qyj n ASP 77 N 2.35 0.11 0.31 2.83 5.75 0.21 -4.81 116.55 123.29 2qyj n ASP 77 Ca -0.18 -1.34 0.19 0.00 -0.01 0.00 0.00 54.79 53.45 2qyj n ASP 77 Cb 0.53 -0.67 1.00 0.00 -1.03 0.00 0.00 41.12 40.96 2qyj n ASP 77 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2qyj h LYS 78 N 0.00 0.00 -0.67 0.11 2.10 -1.32 0.26 116.57 117.06 2qyj h LYS 78 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2qyj h LYS 78 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2qyj h LYS 78 CO 0.20 0.02 0.00 -0.25 -2.00 0.00 0.00 179.45 177.43 2qyj n ASP 79 N -3.29 3.97 -0.03 7.07 8.00 -1.26 -4.96 116.55 126.05 2qyj n ASP 79 Ca -0.02 -2.09 -0.00 0.00 0.71 0.00 0.00 54.79 53.39 2qyj n ASP 79 Cb 0.14 -0.47 -0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2qyj n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qyj n GLY 80 N 1.39 0.46 3.71 0.44 0.00 0.08 -0.61 105.19 110.66 2qyj n GLY 80 Ca 0.23 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2qyj n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qyj s TYR 81 N -1.90 3.30 0.35 1.61 1.51 -1.26 -4.10 117.35 116.86 2qyj s TYR 81 Ca 0.00 1.07 0.06 0.00 -1.01 0.00 0.00 57.07 57.20 2qyj s TYR 81 Cb 0.00 -3.59 -0.01 0.00 -0.11 0.00 0.00 41.96 38.26 2qyj s TYR 81 CO 0.00 -1.99 0.49 0.95 -1.11 0.00 0.00 175.55 173.89 2qyj s THR 82 N 1.13 3.97 0.40 -0.71 -4.23 -1.26 -0.62 115.64 114.33 2qyj s THR 82 Ca 0.62 -0.97 0.13 0.00 -1.18 0.00 0.00 61.69 60.29 2qyj s THR 82 Cb -0.34 -3.38 0.34 0.00 1.34 0.00 0.00 72.50 70.46 2qyj s THR 82 CO 0.30 -0.15 1.92 -0.65 -0.54 0.00 0.00 174.62 175.49 2qyj h PRO 83 N 0.84 0.51 -0.77 3.99 0.11 -1.77 -1.88 132.00 133.03 2qyj h PRO 83 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2qyj h PRO 83 Cb 1.26 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2qyj h PRO 83 CO 0.52 0.34 0.34 1.25 -0.21 0.00 0.00 178.00 180.24 2qyj h LEU 84 N 0.52 1.02 -0.59 2.35 5.85 -1.95 -1.65 115.31 120.86 2qyj h LEU 84 Ca 0.37 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.07 2qyj h LEU 84 Cb 0.71 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 2qyj h LEU 84 CO -0.13 0.88 0.13 0.45 -0.34 0.00 0.00 178.44 179.42 2qyj h HIS 85 N 1.10 0.20 -0.15 1.25 3.86 -1.73 -0.55 115.15 119.13 2qyj h HIS 85 Ca 0.26 0.04 -0.22 0.00 -1.16 0.00 0.00 60.37 59.29 2qyj h HIS 85 Cb 0.15 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.63 2qyj h HIS 85 CO 0.02 -0.03 -0.77 -0.07 0.86 0.00 0.00 177.93 177.94 2qyj h LEU 86 N 0.26 0.90 -0.32 2.43 3.38 -1.33 -0.65 115.31 119.98 2qyj h LEU 86 Ca 0.31 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 2qyj h LEU 86 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qyj h LEU 86 CO -0.40 1.38 -0.21 0.00 0.09 0.00 0.00 178.44 179.31 2qyj h ALA 87 N 0.60 0.45 -0.61 1.53 0.00 -1.19 -1.20 119.26 118.84 2qyj h ALA 87 Ca -0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2qyj h ALA 87 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2qyj h ALA 87 CO 0.16 0.40 0.12 0.00 0.00 0.00 0.00 179.25 179.92 2qyj h ALA 88 N 0.75 0.81 -0.68 0.00 0.00 -1.09 -0.17 119.26 118.89 2qyj h ALA 88 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2qyj h ALA 88 Cb 0.75 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qyj h ALA 88 CO 0.06 0.55 0.28 -0.09 0.00 0.00 0.00 179.25 180.05 2qyj h ARG 89 N 0.91 1.01 0.00 0.00 2.43 -1.10 -3.21 114.38 114.42 2qyj h ARG 89 Ca 0.19 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qyj h ARG 89 Cb 0.40 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2qyj h ARG 89 CO 0.01 0.83 -0.36 0.39 -1.51 0.00 0.00 179.97 179.33 2qyj n GLU 90 N -4.40 0.21 -0.45 0.20 -0.58 -0.46 -4.88 120.64 110.29 2qyj n GLU 90 Ca 0.05 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2qyj n GLU 90 Cb 0.17 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2qyj n GLU 90 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qyj n GLY 91 N 1.37 0.73 3.52 0.62 0.00 -0.18 -5.00 105.19 106.24 2qyj n GLY 91 Ca 0.05 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2qyj n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qyj s HIS 92 N -2.00 2.92 0.10 1.61 3.76 -0.55 -4.86 115.29 116.28 2qyj s HIS 92 Ca 0.00 -1.44 -0.20 0.00 -0.15 0.00 0.00 55.06 53.28 2qyj s HIS 92 Cb 0.00 -4.55 -0.08 0.00 1.11 0.00 0.00 32.58 29.07 2qyj s HIS 92 CO 0.00 -1.69 1.68 1.25 -0.85 0.00 0.00 174.74 175.12 2qyj h LEU 93 N 11.59 0.28 -0.93 0.89 5.85 -1.95 0.18 115.31 131.22 2qyj h LEU 93 Ca 0.28 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2qyj h LEU 93 Cb 0.95 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2qyj h LEU 93 CO 1.33 0.32 0.52 -0.33 -0.34 0.00 0.00 178.44 179.94 2qyj h GLU 94 N 0.22 1.27 -0.47 1.25 3.07 -1.99 -1.42 114.58 116.51 2qyj h GLU 94 Ca 0.07 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 2qyj h GLU 94 Cb 0.11 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 2qyj h GLU 94 CO -0.01 0.91 0.03 0.82 -1.40 0.00 0.00 179.01 179.36 2qyj h ILE 95 N 1.28 1.26 -0.63 3.13 2.04 -1.88 -2.13 117.51 120.58 2qyj h ILE 95 Ca 0.33 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.27 2qyj h ILE 95 Cb -0.00 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2qyj h ILE 95 CO -0.06 0.35 0.24 0.58 0.00 0.00 0.00 178.15 179.27 2qyj h VAL 96 N 0.67 0.77 -0.46 1.67 2.07 -0.45 -0.89 116.25 119.62 2qyj h VAL 96 Ca 0.14 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2qyj h VAL 96 Cb 0.47 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2qyj h VAL 96 CO 0.02 0.08 0.11 -0.33 0.02 0.00 0.00 177.57 177.47 2qyj h GLU 97 N 0.43 0.74 -0.59 1.57 5.08 -1.06 -2.09 114.58 118.65 2qyj h GLU 97 Ca 0.32 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2qyj h GLU 97 Cb 0.40 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2qyj h GLU 97 CO -0.31 0.73 0.06 0.28 -1.00 0.00 0.00 179.01 178.77 2qyj h VAL 98 N 0.61 1.26 0.00 3.13 2.07 -1.08 -2.03 116.25 120.23 2qyj h VAL 98 Ca 0.14 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2qyj h VAL 98 Cb 0.33 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2qyj h VAL 98 CO 0.00 0.39 -0.00 -0.07 0.02 0.00 0.00 177.57 177.91 2qyj h LEU 99 N 0.90 -0.00 -0.79 2.57 3.38 -1.04 -2.43 115.31 117.90 2qyj h LEU 99 Ca 0.17 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2qyj h LEU 99 Cb 0.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2qyj h LEU 99 CO 0.02 0.05 0.46 -0.07 0.09 0.00 0.00 178.44 178.99 2qyj h LEU 100 N -0.05 0.67 -1.52 1.67 3.38 -1.16 -1.21 115.31 117.08 2qyj h LEU 100 Ca -0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2qyj h LEU 100 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qyj h LEU 100 CO 0.00 0.40 -0.17 0.50 0.09 0.00 0.00 178.44 179.26 2qyj h LYS 101 N 0.80 0.09 -0.01 1.13 3.64 -1.27 -2.41 116.57 118.54 2qyj h LYS 101 Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2qyj h LYS 101 Cb 0.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2qyj h LYS 101 CO -0.22 0.27 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 2qyj n ALA 102 N -2.50 2.65 0.00 5.00 0.00 -0.61 -4.88 120.51 120.18 2qyj n ALA 102 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2qyj n ALA 102 Cb 0.26 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2qyj n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyj n GLY 103 N 1.05 1.11 3.70 0.00 0.00 -0.91 -4.92 105.19 105.23 2qyj n GLY 103 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2qyj n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qyj n ALA 104 N -1.77 1.63 -2.27 4.61 0.00 -0.56 -4.88 120.51 117.27 2qyj n ALA 104 Ca 0.00 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 2qyj n ALA 104 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 2qyj n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qyj s ASP 105 N 0.22 5.67 0.44 0.00 2.15 -1.26 -4.77 116.67 119.13 2qyj s ASP 105 Ca 0.64 -0.00 0.30 0.00 0.43 0.00 0.00 52.55 53.92 2qyj s ASP 105 Cb -0.58 -2.54 1.58 0.00 -0.30 0.00 0.00 42.92 41.07 2qyj s ASP 105 CO 0.52 -2.13 1.91 1.62 -0.17 0.00 0.00 175.17 176.93 2qyj h VAL 106 N 6.50 0.00 -0.12 1.11 3.04 -1.90 -2.62 116.25 122.26 2qyj h VAL 106 Ca -0.27 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2qyj h VAL 106 Cb 1.11 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2qyj h VAL 106 CO 1.24 0.00 -0.00 0.59 -1.01 0.00 0.00 177.57 178.39 2qyj n ASN 107 N -2.57 3.07 -4.76 3.17 3.02 -1.26 -4.42 115.26 111.51 2qyj n ASN 107 Ca -0.02 -3.07 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 2qyj n ASN 107 Cb 0.08 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 2qyj n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyj s ALA 108 N -2.86 3.57 -0.09 5.41 0.00 -0.99 -4.97 121.76 121.82 2qyj s ALA 108 Ca 0.37 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.68 2qyj s ALA 108 Cb 0.31 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2qyj s ALA 108 CO 0.06 -0.75 -0.14 0.15 0.00 0.00 0.00 175.76 175.08 2qyj s LYS 109 N -1.18 2.97 0.36 0.00 1.02 -1.26 -4.07 119.74 117.59 2qyj s LYS 109 Ca 0.54 -0.69 -0.05 0.00 0.02 0.00 0.00 55.97 55.79 2qyj s LYS 109 Cb -0.42 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.47 2qyj s LYS 109 CO 0.50 0.40 0.49 -0.40 -0.92 0.00 0.00 175.35 175.43 2qyj n ASP 110 N 2.96 0.12 -0.17 2.83 5.75 -0.22 -4.81 116.55 123.00 2qyj n ASP 110 Ca -0.18 -1.23 0.15 0.00 -0.01 0.00 0.00 54.79 53.53 2qyj n ASP 110 Cb 0.52 -0.37 0.49 0.00 -1.03 0.00 0.00 41.12 40.74 2qyj n ASP 110 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2qyj h LYS 111 N 0.00 0.43 -0.50 0.11 2.10 -1.15 0.11 116.57 117.67 2qyj h LYS 111 Ca -0.16 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2qyj h LYS 111 Cb 0.46 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2qyj h LYS 111 CO 0.12 0.28 0.00 -0.25 -2.00 0.00 0.00 179.45 177.60 2qyj n ASP 112 N -4.49 2.72 0.00 7.07 9.92 -1.26 -4.95 116.55 125.56 2qyj n ASP 112 Ca 0.15 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 2qyj n ASP 112 Cb 0.53 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2qyj n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qyj n GLY 113 N 1.31 0.69 3.72 0.44 0.00 0.37 -1.68 105.19 110.05 2qyj n GLY 113 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qyj n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qyj s TYR 114 N -2.62 3.46 0.35 1.61 1.51 -1.26 -4.18 117.35 116.23 2qyj s TYR 114 Ca 0.00 1.36 0.07 0.00 -1.01 0.00 0.00 57.07 57.49 2qyj s TYR 114 Cb 0.00 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.44 2qyj s TYR 114 CO 0.00 -1.15 0.40 0.95 -1.11 0.00 0.00 175.55 174.64 2qyj s THR 115 N 0.82 3.58 0.42 -0.71 -4.23 -1.26 -1.06 115.64 113.20 2qyj s THR 115 Ca 0.57 -1.18 0.10 0.00 -1.18 0.00 0.00 61.69 59.99 2qyj s THR 115 Cb -0.29 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.61 2qyj s THR 115 CO 0.30 -0.13 2.02 -0.65 -0.54 0.00 0.00 174.62 175.62 2qyj h PRO 116 N 1.02 0.50 -0.76 3.99 0.11 -1.77 -1.69 132.00 133.39 2qyj h PRO 116 Ca -0.44 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2qyj h PRO 116 Cb 1.26 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2qyj h PRO 116 CO 0.55 0.33 0.46 1.25 -0.21 0.00 0.00 178.00 180.38 2qyj h LEU 117 N 0.52 0.73 -0.11 2.35 5.85 -1.94 0.11 115.31 122.81 2qyj h LEU 117 Ca 0.22 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 2qyj h LEU 117 Cb 0.21 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2qyj h LEU 117 CO -0.06 0.48 -0.09 0.45 -0.34 0.00 0.00 178.44 178.88 2qyj h HIS 118 N 0.87 -0.22 -0.35 1.25 3.86 -1.71 0.16 115.15 119.01 2qyj h HIS 118 Ca 0.32 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.45 2qyj h HIS 118 Cb 0.12 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2qyj h HIS 118 CO -0.05 -0.14 -0.17 -0.07 0.86 0.00 0.00 177.93 178.37 2qyj h LEU 119 N -0.10 0.75 -0.25 2.43 3.38 -1.10 0.18 115.31 120.60 2qyj h LEU 119 Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2qyj h LEU 119 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qyj h LEU 119 CO -0.17 0.99 0.09 0.00 0.09 0.00 0.00 178.44 179.44 2qyj h ALA 120 N 0.79 0.33 -0.06 1.53 0.00 -0.96 -1.08 119.26 119.80 2qyj h ALA 120 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2qyj h ALA 120 Cb 0.71 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2qyj h ALA 120 CO 0.05 -0.05 -0.22 0.00 0.00 0.00 0.00 179.25 179.03 2qyj h ALA 121 N 0.92 -0.24 -0.79 0.00 0.00 -0.84 0.29 119.26 118.60 2qyj h ALA 121 Ca 0.08 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qyj h ALA 121 Cb 0.22 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2qyj h ALA 121 CO -0.00 -0.70 0.51 -0.09 0.00 0.00 0.00 179.25 178.97 2qyj h ARG 122 N -0.31 0.71 0.00 0.00 2.43 -0.54 -0.67 114.38 115.99 2qyj h ARG 122 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2qyj h ARG 122 Cb 0.43 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2qyj h ARG 122 CO -0.25 0.47 -0.47 0.39 -1.51 0.00 0.00 179.97 178.60 2qyj n GLU 123 N -4.50 0.27 -1.57 0.20 -0.58 -0.42 -4.96 120.64 109.08 2qyj n GLU 123 Ca 0.13 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2qyj n GLU 123 Cb 0.31 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2qyj n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qyj n GLY 124 N 1.34 0.51 3.47 0.62 0.00 0.86 -5.00 105.19 106.99 2qyj n GLY 124 Ca 0.04 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2qyj n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qyj s HIS 125 N -2.00 2.95 0.06 1.61 3.76 -0.29 -4.88 115.29 116.50 2qyj s HIS 125 Ca 0.00 -1.15 -0.21 0.00 -0.15 0.00 0.00 55.06 53.55 2qyj s HIS 125 Cb 0.00 -4.34 -0.13 0.00 1.11 0.00 0.00 32.58 29.23 2qyj s HIS 125 CO 0.00 -1.58 1.48 1.25 -0.85 0.00 0.00 174.74 175.04 2qyj h LEU 126 N 10.90 0.25 -0.66 0.89 5.85 -1.95 -1.28 115.31 129.32 2qyj h LEU 126 Ca 0.07 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2qyj h LEU 126 Cb 1.03 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2qyj h LEU 126 CO 1.16 0.51 0.40 -0.33 -0.34 0.00 0.00 178.44 179.84 2qyj h GLU 127 N -0.01 0.90 -0.66 1.25 3.07 -1.99 -0.82 114.58 116.32 2qyj h GLU 127 Ca 0.04 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2qyj h GLU 127 Cb 0.38 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 2qyj h GLU 127 CO 0.01 0.64 0.42 0.82 -1.40 0.00 0.00 179.01 179.50 2qyj h ILE 128 N 0.90 1.12 -0.54 3.13 1.08 -1.93 -2.45 117.51 118.82 2qyj h ILE 128 Ca 0.24 -0.29 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2qyj h ILE 128 Cb -0.03 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 33.88 2qyj h ILE 128 CO -0.04 0.15 0.26 0.58 -0.69 0.00 0.00 178.15 178.41 2qyj h VAL 129 N 0.83 0.92 -0.05 1.67 2.07 -0.05 0.25 116.25 121.89 2qyj h VAL 129 Ca 0.26 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2qyj h VAL 129 Cb -0.03 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2qyj h VAL 129 CO -0.09 0.09 0.03 -0.33 0.02 0.00 0.00 177.57 177.30 2qyj h GLU 130 N 0.50 0.07 -0.86 1.57 5.08 -0.92 0.11 114.58 120.14 2qyj h GLU 130 Ca 0.25 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2qyj h GLU 130 Cb 0.18 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2qyj h GLU 130 CO -0.19 0.04 0.56 0.28 -1.00 0.00 0.00 179.01 178.71 2qyj h VAL 131 N 0.07 1.17 -0.28 3.13 2.07 -1.19 0.44 116.25 121.67 2qyj h VAL 131 Ca 0.02 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2qyj h VAL 131 Cb -0.00 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2qyj h VAL 131 CO -0.01 0.20 0.03 -0.07 0.02 0.00 0.00 177.57 177.75 2qyj h LEU 132 N 1.12 0.45 -0.11 2.57 3.38 -0.41 -2.12 115.31 120.19 2qyj h LEU 132 Ca 0.33 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qyj h LEU 132 Cb -0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2qyj h LEU 132 CO -0.10 0.61 -0.05 -0.07 0.09 0.00 0.00 178.44 178.93 2qyj h LEU 133 N 0.27 -0.16 -2.04 1.67 3.38 -0.63 -1.25 115.31 116.55 2qyj h LEU 133 Ca 0.08 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.19 2qyj h LEU 133 Cb 0.36 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qyj h LEU 133 CO 0.01 -0.07 0.26 0.11 0.09 0.00 0.00 178.44 178.84 2qyj h LYS 134 N -0.04 0.00 -0.17 1.13 1.57 -0.81 -1.22 116.57 117.03 2qyj h LYS 134 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2qyj h LYS 134 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qyj h LYS 134 CO -0.13 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.75 2qyj n ALA 135 N -2.55 2.51 0.00 3.86 0.00 -0.81 -4.92 120.51 118.60 2qyj n ALA 135 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2qyj n ALA 135 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2qyj n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyj n GLY 136 N 1.22 1.32 3.73 0.00 0.00 -0.46 -4.88 105.19 106.11 2qyj n GLY 136 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qyj n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qyj s ALA 137 N -2.00 3.83 -0.56 4.61 0.00 -0.52 -4.87 121.76 122.24 2qyj s ALA 137 Ca 0.00 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 2qyj s ALA 137 Cb 0.00 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2qyj s ALA 137 CO 0.00 -0.90 1.33 0.34 0.00 0.00 0.00 175.76 176.53 2qyj s ASP 138 N 0.90 6.27 0.51 0.00 2.15 -1.26 -4.74 116.67 120.50 2qyj s ASP 138 Ca 0.69 0.26 0.16 0.00 0.43 0.00 0.00 52.55 54.09 2qyj s ASP 138 Cb -0.47 -2.55 1.24 0.00 -0.30 0.00 0.00 42.92 40.83 2qyj s ASP 138 CO 0.38 -1.60 2.14 -0.37 -0.17 0.00 0.00 175.17 175.54 2qyj h VAL 139 N 6.30 1.01 -0.03 1.11 -1.51 -1.95 -2.75 116.25 118.43 2qyj h VAL 139 Ca -0.26 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2qyj h VAL 139 Cb 1.08 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2qyj h VAL 139 CO 1.17 0.02 0.00 0.59 -1.23 0.00 0.00 177.57 178.12 2qyj n ASN 140 N -4.52 0.88 -4.73 4.19 3.02 -1.26 -4.32 115.26 108.51 2qyj n ASN 140 Ca -0.03 -1.36 -0.42 0.00 -0.03 0.00 0.00 54.58 52.74 2qyj n ASN 140 Cb 0.10 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2qyj n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qyj s ALA 141 N -1.97 3.83 -0.05 5.41 0.00 -1.04 -4.94 121.76 123.00 2qyj s ALA 141 Ca 0.39 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.93 2qyj s ALA 141 Cb 0.20 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qyj s ALA 141 CO 0.32 -0.91 -0.17 -0.65 0.00 0.00 0.00 175.76 174.35 2qyj s GLN 142 N 0.47 2.51 0.00 0.00 -0.21 -1.26 -4.19 119.66 116.99 2qyj s GLN 142 Ca 0.69 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.32 2qyj s GLN 142 Cb -0.48 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2qyj s GLN 142 CO 0.38 0.56 0.00 -0.40 -2.12 0.00 0.00 175.29 173.71 2qyj n ASP 143 N 2.49 0.00 0.24 5.90 5.68 -0.55 -4.84 116.55 125.46 2qyj n ASP 143 Ca -0.17 -0.71 0.15 0.00 -0.50 0.00 0.00 54.79 53.56 2qyj n ASP 143 Cb 0.52 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.00 2qyj n ASP 143 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2qyj h LYS 144 N 0.00 0.00 -0.45 0.11 2.10 -1.63 0.06 116.57 116.76 2qyj h LYS 144 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qyj h LYS 144 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qyj h LYS 144 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 2qyj n PHE 145 N -2.96 0.59 -1.18 0.07 3.01 -1.26 -4.95 117.46 110.77 2qyj n PHE 145 Ca 0.02 -0.29 -0.06 0.00 1.01 0.00 0.00 57.45 58.12 2qyj n PHE 145 Cb 0.37 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 2qyj n PHE 145 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qyj n GLY 146 N 1.37 0.86 3.84 1.37 0.00 0.01 -5.03 105.19 107.61 2qyj n GLY 146 Ca 0.18 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2qyj n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qyj s LYS 147 N -2.44 3.88 0.45 1.61 -0.14 -1.26 -4.73 119.74 117.11 2qyj s LYS 147 Ca 0.00 0.35 0.08 0.00 -1.36 0.00 0.00 55.97 55.05 2qyj s LYS 147 Cb 0.00 -3.15 0.03 0.00 -1.68 0.00 0.00 37.83 33.03 2qyj s LYS 147 CO 0.00 0.65 0.61 0.95 -0.76 0.00 0.00 175.35 176.80 2qyj s THR 148 N -1.18 2.79 0.35 2.17 -4.23 -1.26 -1.49 115.64 112.79 2qyj s THR 148 Ca 0.27 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 2qyj s THR 148 Cb -0.16 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 71.12 2qyj s THR 148 CO 0.15 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.21 2qyj h ALA 149 N 0.55 1.52 -0.33 3.99 0.00 -1.75 -2.45 119.26 120.79 2qyj h ALA 149 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qyj h ALA 149 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2qyj h ALA 149 CO 0.45 0.41 0.22 0.35 0.00 0.00 0.00 179.25 180.67 2qyj h PHE 150 N 0.75 0.41 -0.77 0.00 3.57 -1.95 -2.02 116.94 116.93 2qyj h PHE 150 Ca 0.19 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.88 2qyj h PHE 150 Cb 0.01 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 38.49 2qyj h PHE 150 CO 0.00 0.26 0.20 -0.44 -2.23 0.00 0.00 178.31 176.10 2qyj h ASP 151 N 0.44 0.04 -0.49 0.41 3.32 -1.83 -0.91 116.42 117.40 2qyj h ASP 151 Ca 0.12 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2qyj h ASP 151 Cb -0.05 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2qyj h ASP 151 CO -0.03 -0.05 0.16 0.40 -1.72 0.00 0.00 179.24 178.01 2qyj h ILE 152 N 0.28 1.22 -0.40 0.35 1.08 -1.21 -1.43 117.51 117.41 2qyj h ILE 152 Ca 0.44 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2qyj h ILE 152 Cb 0.78 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2qyj h ILE 152 CO -0.53 0.27 0.20 0.77 -0.69 0.00 0.00 178.15 178.17 2qyj h SER 153 N 0.66 0.49 -0.18 1.72 4.64 -0.51 -1.35 113.55 119.02 2qyj h SER 153 Ca 0.16 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 2qyj h SER 153 Cb 0.26 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2qyj h SER 153 CO -0.01 0.42 -0.50 0.40 -0.87 0.00 0.00 176.83 176.27 2qyj h ILE 154 N 0.56 1.32 -0.46 0.95 1.08 -0.82 0.41 117.51 120.55 2qyj h ILE 154 Ca 0.14 -1.74 0.06 0.00 -0.39 0.00 0.00 64.86 62.94 2qyj h ILE 154 Cb 0.05 1.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 2qyj h ILE 154 CO -0.02 0.54 0.15 0.44 -0.69 0.00 0.00 178.15 178.57 2qyj h ASP 155 N 0.33 0.14 0.04 1.72 3.32 -0.70 -2.71 116.42 118.57 2qyj h ASP 155 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2qyj h ASP 155 Cb 1.11 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2qyj h ASP 155 CO 0.11 0.11 -0.02 0.59 -1.72 0.00 0.00 179.24 178.31 2qyj n ASN 156 N -5.02 0.78 -3.19 6.45 3.02 -0.56 -4.90 115.26 111.83 2qyj n ASN 156 Ca 0.04 -1.18 -0.23 0.00 -0.03 0.00 0.00 54.58 53.18 2qyj n ASN 156 Cb 0.19 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2qyj n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qyj n GLY 157 N 1.12 -0.53 3.42 7.41 0.00 -0.95 -4.91 105.19 110.76 2qyj n GLY 157 Ca 0.20 0.16 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 2qyj n GLY 157 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qyj s ASN 158 N -2.84 6.63 0.18 1.61 3.84 0.09 -4.89 114.94 119.56 2qyj s ASN 158 Ca 0.38 -2.14 -0.13 0.00 0.21 0.00 0.00 52.86 51.18 2qyj s ASN 158 Cb -0.17 -2.35 0.08 0.00 -0.55 0.00 0.00 41.25 38.26 2qyj s ASN 158 CO 0.47 -0.96 1.80 1.05 -2.79 0.00 0.00 177.10 176.67 2qyj h GLU 159 N 8.62 0.82 -0.86 0.43 9.09 -1.91 -0.22 114.58 130.55 2qyj h GLU 159 Ca 0.12 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.44 2qyj h GLU 159 Cb 1.03 -0.17 -0.04 0.00 -1.65 0.00 0.00 28.75 27.92 2qyj h GLU 159 CO 1.03 0.61 0.52 -0.44 0.05 0.00 0.00 179.01 180.77 2qyj h ASP 160 N 0.81 1.03 0.21 3.06 3.32 -1.97 -1.86 116.42 121.01 2qyj h ASP 160 Ca 0.21 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2qyj h ASP 160 Cb 0.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2qyj h ASP 160 CO -0.04 0.80 -0.10 0.25 -1.72 0.00 0.00 179.24 178.43 2qyj h LEU 161 N 1.18 -0.24 -0.95 1.55 5.85 -1.85 -2.69 115.31 118.16 2qyj h LEU 161 Ca 0.31 -0.22 0.24 0.00 0.84 0.00 0.00 57.88 59.04 2qyj h LEU 161 Cb -0.05 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 40.92 2qyj h LEU 161 CO -0.06 0.11 0.49 0.00 -0.34 0.00 0.00 178.44 178.65 2qyj h ALA 162 N 0.08 1.63 0.40 1.25 0.00 -0.92 -0.80 119.26 120.89 2qyj h ALA 162 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2qyj h ALA 162 Cb 0.45 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qyj h ALA 162 CO 0.05 -0.32 -0.19 1.49 0.00 0.00 0.00 179.25 180.27 2qyj h GLU 163 N 0.48 -0.51 -0.92 0.00 4.81 -1.31 0.15 114.58 117.27 2qyj h GLU 163 Ca 0.61 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 60.10 2qyj h GLU 163 Cb 1.18 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.55 2qyj h GLU 163 CO -0.51 -0.21 0.45 0.82 -0.73 0.00 0.00 179.01 178.83 2qyj h ILE 164 N -0.95 0.48 0.00 2.32 2.04 -1.14 -0.36 117.51 119.90 2qyj h ILE 164 Ca -0.05 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 2qyj h ILE 164 Cb 0.55 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2qyj h ILE 164 CO 0.09 0.08 -0.73 -0.07 0.00 0.00 0.00 178.15 177.52 2qyj h LEU 165 N 0.44 0.00 0.00 1.44 3.38 -1.10 -3.51 115.31 115.96 2qyj h LEU 165 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2qyj h LEU 165 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qyj h LEU 165 CO -0.52 0.66 0.00 1.67 0.09 0.00 0.00 178.44 180.34