#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyb h GLU 8 N 0.00 0.14 -1.77 -1.46 4.11 -2.09 -1.01 114.58 112.50 2qyb h GLU 8 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2qyb h GLU 8 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qyb h GLU 8 CO 0.00 0.36 0.00 1.51 0.07 0.00 0.00 179.01 180.95 2qyb n ILE 9 N -4.87 0.27 0.00 -1.06 3.06 -1.26 -1.17 119.36 114.33 2qyb n ILE 9 Ca -0.06 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 2qyb n ILE 9 Cb 0.17 -0.67 0.00 0.00 0.54 0.00 0.00 39.64 39.68 2qyb n ILE 9 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2qyb n ASN 11 N 0.96 0.00 -0.13 9.51 3.02 -0.38 -0.61 115.26 127.62 2qyb n ASN 11 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2qyb n ASN 11 Cb 0.12 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.38 2qyb n ASN 11 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2qyb h ARG 12 N 0.00 0.88 -0.60 3.52 3.08 -1.42 -1.27 114.38 118.57 2qyb h ARG 12 Ca 0.00 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 2qyb h ARG 12 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2qyb h ARG 12 CO 0.00 0.93 0.03 1.15 -1.07 0.00 0.00 179.97 181.01 2qyb h THR 13 N 0.79 1.26 -0.12 2.04 2.02 -1.12 0.63 112.91 118.42 2qyb h THR 13 Ca 0.13 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 2qyb h THR 13 Cb 0.60 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2qyb h THR 13 CO 0.04 0.40 -0.22 -0.07 0.37 0.00 0.00 175.52 176.05 2qyb h LEU 14 N 0.94 0.20 -0.41 2.58 3.38 -1.77 -1.09 115.31 119.14 2qyb h LEU 14 Ca 0.17 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2qyb h LEU 14 Cb 0.52 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2qyb h LEU 14 CO 0.03 0.43 -0.38 0.44 0.09 0.00 0.00 178.44 179.04 2qyb h ASP 15 N 0.19 0.98 -0.58 -0.43 3.32 -0.92 -3.11 116.42 115.87 2qyb h ASP 15 Ca 0.03 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.69 2qyb h ASP 15 Cb 0.50 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 2qyb h ASP 15 CO 0.03 1.24 0.29 0.25 -1.72 0.00 0.00 179.24 179.34 2qyb h LEU 16 N 0.75 0.40 -0.61 1.55 5.85 -0.20 -2.06 115.31 120.99 2qyb h LEU 16 Ca 0.06 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.94 2qyb h LEU 16 Cb 0.97 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 2qyb h LEU 16 CO 0.09 0.26 0.10 -0.61 -0.34 0.00 0.00 178.44 177.95 2qyb h GLN 17 N 0.54 0.22 -0.44 1.25 5.75 -1.16 -2.64 115.11 118.63 2qyb h GLN 17 Ca 0.27 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.64 2qyb h GLN 17 Cb 0.21 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2qyb h GLN 17 CO -0.20 0.14 -0.19 0.82 -2.65 0.00 0.00 178.83 176.76 2qyb h ILE 18 N 0.22 1.27 0.00 2.39 2.04 -1.46 0.53 117.51 122.51 2qyb h ILE 18 Ca 0.32 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2qyb h ILE 18 Cb 0.50 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2qyb h ILE 18 CO -0.44 0.45 0.00 -0.38 0.00 0.00 0.00 178.15 177.78 2qyb n ILE 19 N -4.20 0.00 0.00 -0.67 5.41 -0.80 -1.10 119.36 118.01 2qyb n ILE 19 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2qyb n ILE 19 Cb 0.43 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2qyb n ILE 19 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2qyb n ASP 21 N -0.14 0.00 -0.19 4.38 9.92 0.18 -1.37 116.55 129.33 2qyb n ASP 21 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2qyb n ASP 21 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2qyb n ASP 21 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2qyb h ASP 22 N 0.00 0.97 -0.34 -2.24 3.32 -1.36 -1.88 116.42 114.89 2qyb h ASP 22 Ca 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 2qyb h ASP 22 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2qyb h ASP 22 CO 0.00 1.06 0.13 -0.07 -1.72 0.00 0.00 179.24 178.64 2qyb h LEU 23 N 0.86 0.47 -0.44 1.55 3.38 -1.45 -0.53 115.31 119.14 2qyb h LEU 23 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2qyb h LEU 23 Cb 0.58 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qyb h LEU 23 CO 0.03 0.52 0.19 -0.07 0.09 0.00 0.00 178.44 179.21 2qyb h LEU 24 N 0.40 0.60 -0.84 1.67 3.38 -1.82 -1.32 115.31 117.39 2qyb h LEU 24 Ca 0.11 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2qyb h LEU 24 Cb 0.20 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 2qyb h LEU 24 CO -0.01 0.59 0.47 0.78 0.09 0.00 0.00 178.44 180.36 2qyb h ASN 25 N 0.58 0.65 -0.37 -0.43 2.35 -1.19 -1.14 115.58 116.04 2qyb h ASN 25 Ca 0.15 0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 2qyb h ASN 25 Cb 0.16 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2qyb h ASN 25 CO -0.02 0.35 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.71 2qyb h LEU 26 N 0.76 0.94 -0.60 1.61 3.38 -0.73 -1.93 115.31 118.75 2qyb h LEU 26 Ca 0.42 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2qyb h LEU 26 Cb 0.44 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2qyb h LEU 26 CO -0.27 1.20 0.27 0.25 0.09 0.00 0.00 178.44 179.98 2qyb h LEU 27 N 0.69 0.34 -0.37 1.67 6.46 -0.90 -0.93 115.31 122.27 2qyb h LEU 27 Ca 0.06 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.69 2qyb h LEU 27 Cb 0.93 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2qyb h LEU 27 CO 0.09 0.22 -0.65 -0.07 -0.62 0.00 0.00 178.44 177.41 2qyb h LEU 28 N 0.50 0.73 -0.50 2.25 4.07 -1.07 -1.75 115.31 119.53 2qyb h LEU 28 Ca 0.29 -0.43 0.06 0.00 0.08 0.00 0.00 57.88 57.88 2qyb h LEU 28 Cb 0.28 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 2qyb h LEU 28 CO -0.24 1.18 0.19 0.11 -1.08 0.00 0.00 178.44 178.61 2qyb h LYS 29 N 0.46 0.37 0.00 1.13 1.79 -1.06 -3.24 116.57 116.02 2qyb h LYS 29 Ca -0.01 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 2qyb h LYS 29 Cb 1.23 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2qyb h LYS 29 CO 0.13 0.24 -0.82 1.49 -1.08 0.00 0.00 179.45 179.41 2qyb h GLU 30 N 0.38 0.00 -5.38 3.15 4.81 -0.92 -3.47 114.58 113.15 2qyb h GLU 30 Ca 0.24 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 59.06 2qyb h GLU 30 Cb 0.24 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.47 2qyb h GLU 30 CO -0.23 0.55 -0.72 -0.06 -0.73 0.00 0.00 179.01 177.82 2qyb s PHE 31 N -2.90 1.59 0.00 0.92 0.08 -0.68 -5.03 117.98 111.96 2qyb s PHE 31 Ca 0.02 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.38 2qyb s PHE 31 Cb 0.08 -0.78 -0.13 0.00 -0.57 0.00 0.00 43.02 41.62 2qyb s PHE 31 CO 0.77 0.24 2.44 1.63 -0.10 0.00 0.00 175.22 180.21 2qyb n LYS 32 N -0.35 1.28 -3.86 0.44 5.02 -1.26 -4.67 118.16 114.76 2qyb n LYS 32 Ca -0.08 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.39 2qyb n LYS 32 Cb 0.61 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2qyb n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qyb s LEU 33 N 0.00 4.36 -0.00 -0.35 1.43 -1.26 -4.58 118.68 118.27 2qyb s LEU 33 Ca 0.33 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 2qyb s LEU 33 Cb 0.16 -2.78 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 2qyb s LEU 33 CO 0.00 0.22 0.15 0.47 0.23 0.00 0.00 176.35 177.42 2qyb n ASP 34 N 0.73 2.33 -3.71 2.29 8.00 0.35 -4.82 116.55 121.72 2qyb n ASP 34 Ca -0.09 -0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.02 2qyb n ASP 34 Cb 0.52 1.14 -0.09 0.00 -0.02 0.00 0.00 41.12 42.67 2qyb n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qyb s LEU 35 N -2.89 0.36 -0.06 0.64 2.96 -0.83 -3.51 118.68 115.36 2qyb s LEU 35 Ca -0.00 0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2qyb s LEU 35 Cb 0.03 1.57 0.02 0.00 0.50 0.00 0.00 46.19 48.32 2qyb s LEU 35 CO 0.21 -0.32 0.14 0.00 -1.32 0.00 0.00 176.35 175.06 2qyb s ALA 36 N -0.52 -0.33 -0.02 5.97 0.00 -0.94 -0.76 121.76 125.15 2qyb s ALA 36 Ca -0.06 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2qyb s ALA 36 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2qyb s ALA 36 CO 0.03 -0.09 -0.06 0.08 0.00 0.00 0.00 175.76 175.73 2qyb s VAL 37 N 0.32 0.54 -0.19 0.00 1.01 0.25 -1.42 120.40 120.92 2qyb s VAL 37 Ca -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2qyb s VAL 37 Cb -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2qyb s VAL 37 CO -0.01 0.18 0.04 -0.63 0.00 0.00 0.00 175.10 174.67 2qyb s ILE 38 N 0.25 4.47 0.02 2.22 1.01 0.01 -0.87 121.20 128.30 2qyb s ILE 38 Ca -0.03 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.53 2qyb s ILE 38 Cb -0.07 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2qyb s ILE 38 CO -0.00 0.45 -0.14 -0.13 0.00 0.00 0.00 174.94 175.12 2qyb s ARG 39 N 0.57 2.28 0.04 2.79 0.52 -0.58 -1.45 118.95 123.12 2qyb s ARG 39 Ca 0.02 -0.86 0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2qyb s ARG 39 Cb -0.13 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2qyb s ARG 39 CO 0.02 0.57 -0.20 -0.51 0.02 0.00 0.00 175.30 175.20 2qyb s LEU 40 N -1.33 2.16 0.26 2.53 1.43 -0.30 -1.49 118.68 121.95 2qyb s LEU 40 Ca 0.15 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 2qyb s LEU 40 Cb -0.11 -0.91 -0.10 0.00 0.03 0.00 0.00 46.19 45.11 2qyb s LEU 40 CO 0.05 0.14 1.30 -0.69 0.23 0.00 0.00 176.35 177.39 2qyb s VAL 41 N -0.80 2.98 0.68 -1.59 1.01 -0.27 -1.02 120.40 121.39 2qyb s VAL 41 Ca 0.06 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2qyb s VAL 41 Cb -0.09 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.84 2qyb s VAL 41 CO 0.02 0.17 0.94 1.51 0.00 0.00 0.00 175.10 177.74 2qyb s ASP 42 N -0.09 4.56 0.32 3.32 1.47 -0.06 -4.92 116.67 121.28 2qyb s ASP 42 Ca 0.53 -0.32 0.10 0.00 1.18 0.00 0.00 52.55 54.04 2qyb s ASP 42 Cb -0.38 -0.16 0.94 0.00 -0.34 0.00 0.00 42.92 42.99 2qyb s ASP 42 CO 0.45 -1.71 1.67 -0.33 0.68 0.00 0.00 175.17 175.93 2qyb h GLU 43 N -0.38 0.33 -0.06 2.11 3.07 -1.96 0.28 114.58 117.97 2qyb h GLU 43 Ca -0.37 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2qyb h GLU 43 Cb 1.27 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2qyb h GLU 43 CO 0.43 0.22 0.00 1.63 -1.40 0.00 0.00 179.01 179.88 2qyb n LYS 44 N -5.07 1.20 -0.95 2.33 4.01 -1.26 -4.89 118.16 113.53 2qyb n LYS 44 Ca 0.28 -0.31 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 2qyb n LYS 44 Cb 0.85 -1.24 0.00 0.00 -0.51 0.00 0.00 35.03 34.13 2qyb n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qyb n GLY 45 N 0.81 0.85 3.75 0.72 0.00 0.09 -5.05 105.19 106.35 2qyb n GLY 45 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2qyb n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qyb s VAL 46 N -3.35 3.91 -0.75 1.61 1.01 -1.26 -4.58 120.40 116.98 2qyb s VAL 46 Ca 0.00 1.80 -0.27 0.00 0.00 0.00 0.00 61.98 63.51 2qyb s VAL 46 Cb 0.00 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2qyb s VAL 46 CO 0.00 0.38 1.30 -0.76 0.00 0.00 0.00 175.10 176.01 2qyb s LEU 47 N -0.89 3.18 -0.09 3.92 1.43 0.11 -0.88 118.68 125.46 2qyb s LEU 47 Ca 0.45 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 2qyb s LEU 47 Cb -0.28 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 2qyb s LEU 47 CO 0.35 -1.83 0.41 -0.13 0.23 0.00 0.00 176.35 175.38 2qyb s ARG 48 N 5.72 4.18 -0.07 1.70 1.81 -0.19 -0.79 118.95 131.31 2qyb s ARG 48 Ca 0.36 0.36 -0.29 0.00 -1.72 0.00 0.00 55.73 54.44 2qyb s ARG 48 Cb -0.08 -3.36 -0.07 0.00 -0.45 0.00 0.00 34.95 31.00 2qyb s ARG 48 CO 0.14 0.36 1.97 0.08 -0.68 0.00 0.00 175.30 177.17 2qyb s VAL 49 N -0.00 3.14 -0.06 3.52 1.01 -1.26 -1.15 120.40 125.60 2qyb s VAL 49 Ca 0.23 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2qyb s VAL 49 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2qyb s VAL 49 CO 0.10 -0.04 0.09 0.54 0.00 0.00 0.00 175.10 175.79 2qyb n ARG 50 N 7.85 2.42 -3.54 2.72 5.12 -0.53 -4.97 116.66 125.74 2qyb n ARG 50 Ca 0.22 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.97 2qyb n ARG 50 Cb 0.43 -0.90 -0.06 0.00 -1.16 0.00 0.00 32.46 30.77 2qyb n ARG 50 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qyb s SER 51 N -1.93 -0.58 -0.05 0.55 0.15 -1.14 -5.00 113.70 105.70 2qyb s SER 51 Ca -0.00 0.64 -0.29 0.00 0.70 0.00 0.00 55.95 57.00 2qyb s SER 51 Cb 0.02 0.49 0.10 0.00 -1.71 0.00 0.00 66.02 64.92 2qyb s SER 51 CO 0.12 -0.53 0.84 -0.72 1.20 0.00 0.00 173.24 174.15 2qyb s TYR 52 N -1.15 -0.45 0.03 3.44 1.13 -1.26 -0.81 117.35 118.28 2qyb s TYR 52 Ca -0.08 0.59 0.00 0.00 -1.41 0.00 0.00 57.07 56.17 2qyb s TYR 52 Cb -0.00 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 2qyb s TYR 52 CO 0.08 -0.52 -0.04 0.45 -2.51 0.00 0.00 175.55 173.01 2qyb s SER 53 N -1.72 0.39 0.00 -0.18 0.15 -0.51 -4.95 113.70 106.88 2qyb s SER 53 Ca -0.02 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2qyb s SER 53 Cb -0.01 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2qyb s SER 53 CO -0.01 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2qyb n GLY 54 N 1.16 -2.91 3.70 9.45 0.00 -1.26 -2.21 105.19 113.12 2qyb n GLY 54 Ca -0.21 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 2qyb n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qyb s LYS 55 N -0.93 2.58 0.00 1.61 -2.85 -1.23 -4.66 119.74 114.27 2qyb s LYS 55 Ca 0.00 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 2qyb s LYS 55 Cb 0.00 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 2qyb s LYS 55 CO 0.00 0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.36 2qyb n GLY 56 N 0.18 1.30 0.29 0.59 0.00 -1.26 -4.70 105.19 101.60 2qyb n GLY 56 Ca -0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.08 2qyb n GLY 56 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qyb h ILE 57 N 0.00 0.43 -0.00 -0.61 6.09 -1.92 -1.62 117.51 119.88 2qyb h ILE 57 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2qyb h ILE 57 Cb 0.00 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.43 2qyb h ILE 57 CO 0.00 0.04 -0.01 0.00 -3.07 0.00 0.00 178.15 175.11 2qyb n ALA 58 N -2.26 2.66 -2.89 0.18 0.00 -1.26 -4.09 120.51 112.85 2qyb n ALA 58 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2qyb n ALA 58 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2qyb n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyb n GLY 59 N 1.08 4.82 0.32 0.00 0.00 -0.61 -5.00 105.19 105.80 2qyb n GLY 59 Ca 0.22 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 2qyb n GLY 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qyb h ILE 60 N 0.00 1.21 -0.32 -0.61 6.09 -1.89 -2.04 117.51 119.95 2qyb h ILE 60 Ca 0.00 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 2qyb h ILE 60 Cb 0.00 0.42 0.00 0.00 0.47 0.00 0.00 36.82 37.71 2qyb h ILE 60 CO 0.00 0.26 0.00 0.00 -3.07 0.00 0.00 178.15 175.34 2qyb n ALA 61 N -2.44 2.46 0.20 0.18 0.00 -1.26 -4.55 120.51 115.09 2qyb n ALA 61 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 53.44 52.97 2qyb n ALA 61 Cb 0.15 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.67 2qyb n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyb n GLY 62 N 0.99 0.28 3.98 0.00 0.00 -0.77 -4.93 105.19 104.75 2qyb n GLY 62 Ca 0.11 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2qyb n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qyb s LYS 63 N -0.74 2.35 0.31 1.61 1.02 -1.26 -4.89 119.74 118.14 2qyb s LYS 63 Ca 0.11 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.88 2qyb s LYS 63 Cb 0.07 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 2qyb s LYS 63 CO 0.10 -0.86 0.93 -0.51 -0.92 0.00 0.00 175.35 174.09 2qyb s ASP 64 N -4.51 7.36 -0.11 2.83 1.01 -1.26 -4.64 116.67 117.35 2qyb s ASP 64 Ca 0.60 1.82 0.01 0.00 0.71 0.00 0.00 52.55 55.69 2qyb s ASP 64 Cb -0.09 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2qyb s ASP 64 CO 0.39 -0.04 -0.11 0.26 0.21 0.00 0.00 175.17 175.88 2qyb s TRP 65 N -1.56 1.72 -0.16 4.23 0.52 0.03 -4.97 118.94 118.75 2qyb s TRP 65 Ca 0.49 -0.84 -0.29 0.00 0.02 0.00 0.00 56.10 55.48 2qyb s TRP 65 Cb -0.19 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 2qyb s TRP 65 CO 0.24 -0.49 1.69 -1.21 0.02 0.00 0.00 176.95 177.20 2qyb s GLU 66 N 1.31 3.87 0.31 4.98 2.02 -1.26 0.05 118.70 129.98 2qyb s GLU 66 Ca -0.01 1.88 -0.29 0.00 0.02 0.00 0.00 54.97 56.57 2qyb s GLU 66 Cb -0.14 -4.05 -0.10 0.00 0.10 0.00 0.00 34.13 29.94 2qyb s GLU 66 CO -0.05 -1.22 1.44 -1.25 0.02 0.00 0.00 175.26 174.20 2qyb s PRO 67 N 4.62 4.24 -0.12 0.39 0.04 -1.26 -4.94 135.00 137.96 2qyb s PRO 67 Ca 0.75 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 64.00 2qyb s PRO 67 Cb -0.29 -3.06 0.04 0.00 0.04 0.00 0.00 34.50 31.24 2qyb s PRO 67 CO 0.30 -0.41 0.43 -1.21 0.04 0.00 0.00 177.00 176.15 2qyb s GLU 68 N -1.15 0.60 0.52 4.56 2.02 -1.26 -5.00 118.70 118.99 2qyb s GLU 68 Ca 0.56 0.37 0.29 0.00 0.02 0.00 0.00 54.97 56.21 2qyb s GLU 68 Cb -0.43 0.29 1.42 0.00 0.10 0.00 0.00 34.13 35.50 2qyb s GLU 68 CO 0.51 -0.12 2.03 0.97 0.02 0.00 0.00 175.26 178.68 2qyb h ILE 69 N 4.16 0.43 0.00 -1.63 2.10 -1.95 -2.55 117.51 118.08 2qyb h ILE 69 Ca -0.28 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 65.05 2qyb h ILE 69 Cb 1.18 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 2qyb h ILE 69 CO 0.29 0.11 0.00 -0.62 -1.08 0.00 0.00 178.15 176.85 2qyb n GLU 70 N -3.46 0.12 -4.24 2.19 4.71 -1.26 -4.49 120.64 114.21 2qyb n GLU 70 Ca -0.01 0.18 -0.26 0.00 -0.01 0.00 0.00 57.16 57.05 2qyb n GLU 70 Cb 0.27 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.12 2qyb n GLU 70 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2qyb s THR 71 N -2.77 3.50 0.20 2.62 -4.23 -0.96 -5.04 115.64 108.96 2qyb s THR 71 Ca 0.12 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.01 2qyb s THR 71 Cb 0.11 -2.76 0.13 0.00 1.34 0.00 0.00 72.50 71.32 2qyb s THR 71 CO 0.27 -0.12 1.75 1.88 -0.54 0.00 0.00 174.62 177.85 2qyb h TYR 72 N 2.74 1.17 -0.47 3.99 0.05 -1.86 -1.69 116.97 120.90 2qyb h TYR 72 Ca -0.47 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.07 2qyb h TYR 72 Cb 1.21 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 2qyb h TYR 72 CO 0.64 0.91 -0.23 0.97 -1.05 0.00 0.00 178.16 179.40 2qyb h ILE 73 N 1.08 1.27 -0.36 -2.88 2.10 -1.96 -1.39 117.51 115.38 2qyb h ILE 73 Ca 0.24 -1.39 -0.07 0.00 1.08 0.00 0.00 64.86 64.72 2qyb h ILE 73 Cb 0.28 1.14 -0.02 0.00 -1.09 0.00 0.00 36.82 37.13 2qyb h ILE 73 CO -0.01 0.48 -0.08 1.23 -1.08 0.00 0.00 178.15 178.69 2qyb h GLY 74 N 0.88 0.64 1.38 8.18 0.00 -1.63 -2.21 103.07 110.31 2qyb h GLY 74 Ca 0.11 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 2qyb h GLY 74 CO 0.07 0.41 -0.56 -2.09 0.00 0.00 0.00 176.54 174.37 2qyb h GLU 75 N 0.56 0.65 -0.45 4.80 4.57 -1.12 0.90 114.58 124.48 2qyb h GLU 75 Ca 0.11 -0.41 -0.05 0.00 -1.18 0.00 0.00 59.36 57.82 2qyb h GLU 75 Cb 0.48 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2qyb h GLU 75 CO 0.03 1.03 0.09 0.00 -1.18 0.00 0.00 179.01 178.98 2qyb h ALA 76 N 0.88 0.60 -0.07 2.92 0.00 -1.12 -1.67 119.26 120.81 2qyb h ALA 76 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2qyb h ALA 76 Cb 1.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qyb h ALA 76 CO 0.11 0.30 -0.03 0.35 0.00 0.00 0.00 179.25 179.98 2qyb h PHE 77 N 0.61 0.16 -0.02 0.00 3.57 -1.31 -0.48 116.94 119.47 2qyb h PHE 77 Ca 0.14 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 2qyb h PHE 77 Cb 0.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2qyb h PHE 77 CO 0.02 0.51 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.79 2qyb h LEU 78 N -0.24 0.17 -0.56 0.59 3.38 -0.81 -2.90 115.31 114.94 2qyb h LEU 78 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qyb h LEU 78 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qyb h LEU 78 CO 0.01 0.85 -0.39 -1.54 0.09 0.00 0.00 178.44 177.46 2qyb n SER 79 N -3.72 1.25 -3.73 -0.43 3.41 -0.63 -4.99 113.62 104.78 2qyb n SER 79 Ca -0.02 -1.01 -0.22 0.00 -0.26 0.00 0.00 58.87 57.35 2qyb n SER 79 Cb 0.72 0.30 0.03 0.00 -0.26 0.00 0.00 64.21 65.00 2qyb n SER 79 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2qyb n ASN 80 N -0.61 -1.60 -3.73 4.04 5.15 -0.26 -4.99 115.26 113.26 2qyb n ASN 80 Ca 0.10 -0.81 -0.13 0.00 -0.60 0.00 0.00 54.58 53.14 2qyb n ASN 80 Cb 0.38 -4.04 -0.10 0.00 -0.53 0.00 0.00 39.78 35.50 2qyb n ASN 80 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2qyb s ARG 81 N -6.06 0.49 0.66 1.20 0.52 -0.78 -4.97 118.95 110.01 2qyb s ARG 81 Ca 0.08 0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 55.64 2qyb s ARG 81 Cb -0.04 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2qyb s ARG 81 CO 0.81 -0.07 1.17 -0.48 0.02 0.00 0.00 175.30 176.75 2qyb s LEU 82 N 0.09 3.46 -0.03 2.53 0.05 -1.26 -4.22 118.68 119.30 2qyb s LEU 82 Ca -0.01 2.23 0.03 0.00 0.05 0.00 0.00 54.13 56.42 2qyb s LEU 82 Cb -0.03 -4.58 0.00 0.00 -2.05 0.00 0.00 46.19 39.54 2qyb s LEU 82 CO 0.01 -1.81 -0.10 -1.10 -0.55 0.00 0.00 176.35 172.80 2qyb s GLN 83 N -3.78 1.10 0.07 1.48 -1.52 -0.55 -4.95 119.66 111.51 2qyb s GLN 83 Ca 0.72 -0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 53.69 2qyb s GLN 83 Cb -0.26 -1.01 0.01 0.00 -0.22 0.00 0.00 33.01 31.53 2qyb s GLN 83 CO 0.39 0.11 0.24 -0.59 -0.25 0.00 0.00 175.29 175.20 2qyb s PHE 84 N 0.24 0.04 -0.15 0.91 -0.12 -1.26 -0.01 117.98 117.62 2qyb s PHE 84 Ca -0.04 -0.34 -0.00 0.00 -0.05 0.00 0.00 56.93 56.50 2qyb s PHE 84 Cb -0.10 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2qyb s PHE 84 CO 0.01 -0.52 -0.07 0.08 -0.05 0.00 0.00 175.22 174.67 2qyb s VAL 85 N -3.24 1.16 -0.04 -2.49 1.01 -0.27 -4.99 120.40 111.53 2qyb s VAL 85 Ca 0.00 -0.57 0.13 0.00 0.00 0.00 0.00 61.98 61.54 2qyb s VAL 85 Cb 0.02 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 2qyb s VAL 85 CO -0.08 0.21 1.42 0.78 0.00 0.00 0.00 175.10 177.44 2qyb h ASN 86 N 8.12 0.00 -2.61 3.32 -0.26 -1.88 -0.95 115.58 121.32 2qyb h ASN 86 Ca -0.27 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.11 2qyb h ASN 86 Cb 1.12 0.00 -0.37 0.00 -1.06 0.00 0.00 38.32 38.01 2qyb h ASN 86 CO 0.42 0.64 -0.66 -0.62 -1.06 0.00 0.00 177.43 176.15 2qyb s ASP 87 N -6.54 1.70 0.58 5.81 -1.08 -1.25 -1.69 116.67 114.20 2qyb s ASP 87 Ca 0.03 -0.39 0.36 0.00 -0.52 0.00 0.00 52.55 52.03 2qyb s ASP 87 Cb 0.09 0.23 1.98 0.00 -1.46 0.00 0.00 42.92 43.76 2qyb s ASP 87 CO 0.76 -0.34 2.11 0.71 0.52 0.00 0.00 175.17 178.93 2qyb h THR 88 N 6.33 0.00 0.00 1.71 1.35 -1.17 -1.60 112.91 119.54 2qyb h THR 88 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2qyb h THR 88 Cb 1.14 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2qyb h THR 88 CO 0.30 0.00 0.00 0.06 -0.25 0.00 0.00 175.52 175.63 2qyb h GLN 89 N 0.00 0.00 -3.60 4.72 3.07 -1.91 -3.48 115.11 113.91 2qyb h GLN 89 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.06 2qyb h GLN 89 Cb 0.13 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 27.32 2qyb h GLN 89 CO 0.00 0.00 -0.46 0.71 0.09 0.00 0.00 178.83 179.17 2qyb s TYR 90 N -3.67 3.36 0.00 0.06 2.02 -0.60 -5.16 117.35 113.35 2qyb s TYR 90 Ca -0.01 -2.85 0.00 0.00 -0.37 0.00 0.00 57.07 53.84 2qyb s TYR 90 Cb 0.09 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 2qyb s TYR 90 CO 0.38 -0.82 0.06 0.25 -1.57 0.00 0.00 175.55 173.85 2qyb n THR 92 N 3.44 0.00 -3.30 -0.71 -2.24 -1.26 -5.08 114.28 105.13 2qyb n THR 92 Ca 0.06 -0.07 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 2qyb n THR 92 Cb 0.36 1.78 -0.07 0.00 -2.10 0.00 0.00 70.33 70.31 2qyb n THR 92 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qyb s LYS 93 N -0.01 3.02 0.14 -0.78 1.02 -1.26 -4.98 119.74 116.88 2qyb s LYS 93 Ca 0.00 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 54.61 2qyb s LYS 93 Cb 0.00 -4.15 -0.06 0.00 -0.52 0.00 0.00 37.83 33.10 2qyb s LYS 93 CO 0.00 -1.15 1.41 -1.00 -0.92 0.00 0.00 175.35 173.70 2qyb h PRO 94 N 8.86 0.82 -0.13 -1.68 0.13 -2.02 0.95 132.00 138.93 2qyb h PRO 94 Ca -0.28 -0.53 -0.06 0.00 -0.87 0.00 0.00 66.00 64.25 2qyb h PRO 94 Cb 1.10 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qyb h PRO 94 CO 0.93 1.16 -0.15 1.25 -0.23 0.00 0.00 178.00 180.96 2qyb h LEU 95 N 0.62 0.35 0.03 1.56 5.85 -1.99 -1.35 115.31 120.39 2qyb h LEU 95 Ca 0.01 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.24 2qyb h LEU 95 Cb 1.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2qyb h LEU 95 CO 0.12 0.79 -0.17 0.74 -0.34 0.00 0.00 178.44 179.58 2qyb h THR 96 N -0.07 0.59 -0.49 1.05 2.02 -1.99 0.14 112.91 114.16 2qyb h THR 96 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 2qyb h THR 96 Cb 0.70 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 2qyb h THR 96 CO 0.04 0.00 -0.19 -0.09 0.37 0.00 0.00 175.52 175.65 2qyb h ARG 97 N -0.29 -0.08 -0.72 6.66 2.43 -0.83 -1.37 114.38 120.17 2qyb h ARG 97 Ca 0.05 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2qyb h ARG 97 Cb 0.35 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2qyb h ARG 97 CO -0.14 -0.05 0.44 1.49 -1.51 0.00 0.00 179.97 180.20 2qyb h GLU 98 N -0.08 0.83 -0.19 0.20 4.57 -0.59 -1.60 114.58 117.71 2qyb h GLU 98 Ca 0.23 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2qyb h GLU 98 Cb 0.44 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2qyb h GLU 98 CO -0.55 0.55 0.00 1.28 -1.18 0.00 0.00 179.01 179.11 2qyb n LEU 99 N -4.67 0.19 0.00 1.64 4.32 0.42 -1.93 117.00 116.97 2qyb n LEU 99 Ca 0.08 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2qyb n LEU 99 Cb 0.11 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2qyb n LEU 99 CO 0.32 0.05 0.00 0.00 -1.22 0.00 0.00 177.39 176.54 2qyb n GLN 101 N 0.35 0.00 0.13 3.23 6.02 -0.60 -2.76 117.38 123.75 2qyb n GLN 101 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 2qyb n GLN 101 Cb 0.05 0.00 0.44 0.00 1.02 0.00 0.00 30.24 31.75 2qyb n GLN 101 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2qyb h LYS 102 N 0.00 0.22 0.00 -1.09 1.63 -1.63 0.13 116.57 115.83 2qyb h LYS 102 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2qyb h LYS 102 Cb 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2qyb h LYS 102 CO 0.00 0.30 0.00 0.39 -3.45 0.00 0.00 179.45 176.69 2qyb n GLU 103 N -4.34 0.16 -0.50 1.90 -0.58 -1.11 -4.93 120.64 111.23 2qyb n GLU 103 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2qyb n GLU 103 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2qyb n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qyb n GLY 104 N 1.42 0.75 3.66 0.62 0.00 0.46 -5.02 105.19 107.08 2qyb n GLY 104 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2qyb n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qyb s ILE 105 N -2.35 3.80 -0.12 -0.61 1.01 -1.26 -4.37 121.20 117.30 2qyb s ILE 105 Ca 0.00 0.99 0.17 0.00 0.00 0.00 0.00 60.65 61.81 2qyb s ILE 105 Cb 0.00 -3.64 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 2qyb s ILE 105 CO 0.00 -0.08 0.52 0.29 0.00 0.00 0.00 174.94 175.67 2qyb n LYS 106 N 6.84 0.65 -3.63 2.79 5.02 -0.28 -4.37 118.16 125.17 2qyb n LYS 106 Ca 0.16 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2qyb n LYS 106 Cb 0.43 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 2qyb n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qyb s SER 107 N -5.56 -0.78 0.23 4.39 0.15 -1.17 -0.69 113.70 110.27 2qyb s SER 107 Ca -0.06 1.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.86 2qyb s SER 107 Cb 0.09 1.42 0.02 0.00 -1.71 0.00 0.00 66.02 65.84 2qyb s SER 107 CO 0.83 -0.24 0.54 0.72 1.20 0.00 0.00 173.24 176.29 2qyb s PHE 108 N 0.68 0.02 -0.11 3.44 -0.12 -0.36 -1.76 117.98 119.76 2qyb s PHE 108 Ca -0.02 -0.39 -0.16 0.00 -0.05 0.00 0.00 56.93 56.31 2qyb s PHE 108 Cb -0.05 0.39 0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2qyb s PHE 108 CO -0.04 -1.00 0.40 0.00 -0.05 0.00 0.00 175.22 174.53 2qyb s ALA 109 N -3.93 -1.00 -0.13 1.99 0.00 -0.38 -1.12 121.76 117.19 2qyb s ALA 109 Ca 0.13 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2qyb s ALA 109 Cb -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2qyb s ALA 109 CO 0.02 -0.23 -0.21 -1.01 0.00 0.00 0.00 175.76 174.34 2qyb s HIS 110 N -0.32 2.53 -0.13 0.00 3.76 0.99 -0.83 115.29 121.29 2qyb s HIS 110 Ca -0.05 -1.24 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 2qyb s HIS 110 Cb -0.03 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.94 2qyb s HIS 110 CO 0.02 -0.57 -0.13 0.42 -0.85 0.00 0.00 174.74 173.63 2qyb s ILE 111 N 0.79 1.45 0.51 0.60 1.09 0.42 -1.48 121.20 124.58 2qyb s ILE 111 Ca -0.08 -0.57 -0.22 0.00 -1.10 0.00 0.00 60.65 58.67 2qyb s ILE 111 Cb -0.16 -1.37 -0.06 0.00 -1.06 0.00 0.00 42.46 39.82 2qyb s ILE 111 CO -0.01 0.44 1.30 -2.84 -0.10 0.00 0.00 174.94 173.73 2qyb s PRO 112 N 1.38 3.36 -0.36 2.79 0.02 -1.26 -0.43 135.00 140.50 2qyb s PRO 112 Ca 0.02 2.09 -0.06 0.00 0.02 0.00 0.00 61.00 63.07 2qyb s PRO 112 Cb -0.13 -2.32 0.06 0.00 0.02 0.00 0.00 34.50 32.12 2qyb s PRO 112 CO -0.08 -0.97 0.13 0.42 -0.33 0.00 0.00 177.00 176.18 2qyb s ILE 113 N -1.38 3.70 -0.04 2.83 1.01 0.42 -4.78 121.20 122.96 2qyb s ILE 113 Ca 0.68 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 2qyb s ILE 113 Cb -0.37 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2qyb s ILE 113 CO 0.44 -0.29 0.38 -0.94 0.00 0.00 0.00 174.94 174.53 2qyb s SER 114 N 1.57 -0.29 0.45 3.58 1.04 -1.26 -0.82 113.70 117.96 2qyb s SER 114 Ca -0.00 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.48 2qyb s SER 114 Cb -0.21 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.26 2qyb s SER 114 CO 0.01 -0.43 1.12 -0.60 0.98 0.00 0.00 173.24 174.33 2qyb s ARG 115 N -1.08 3.86 -0.31 4.02 6.06 -1.26 -4.66 118.95 125.58 2qyb s ARG 115 Ca -0.11 1.67 -0.40 0.00 -2.50 0.00 0.00 55.73 54.39 2qyb s ARG 115 Cb -0.04 -2.41 -0.16 0.00 0.06 0.00 0.00 34.95 32.40 2qyb s ARG 115 CO 0.05 -0.44 1.79 1.17 -2.50 0.00 0.00 175.30 175.36 2qyb n LYS 116 N -0.43 1.06 -0.95 5.12 4.81 -1.26 -1.29 118.16 125.22 2qyb n LYS 116 Ca 0.07 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2qyb n LYS 116 Cb 0.49 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.45 2qyb n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qyb n GLY 117 N 4.48 0.52 3.32 3.14 0.00 -1.26 -5.04 105.19 110.35 2qyb n GLY 117 Ca 0.29 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2qyb n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qyb s GLU 118 N -0.19 1.25 0.35 1.61 2.02 -0.41 -5.11 118.70 118.22 2qyb s GLU 118 Ca 0.00 -1.38 -0.28 0.00 0.02 0.00 0.00 54.97 53.33 2qyb s GLU 118 Cb 0.00 -1.31 -0.10 0.00 0.10 0.00 0.00 34.13 32.82 2qyb s GLU 118 CO 0.00 0.27 1.29 -2.14 0.02 0.00 0.00 175.26 174.70 2qyb s PRO 119 N -2.74 4.28 0.50 0.39 0.02 -1.26 -4.50 135.00 131.69 2qyb s PRO 119 Ca 0.15 2.16 -0.23 0.00 0.02 0.00 0.00 61.00 63.10 2qyb s PRO 119 Cb -0.06 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 2qyb s PRO 119 CO 0.06 -0.23 1.36 -1.25 -0.33 0.00 0.00 177.00 176.61 2qyb s PRO 120 N -1.89 3.43 0.00 5.54 0.04 -1.26 -4.72 135.00 136.14 2qyb s PRO 120 Ca 0.51 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.80 2qyb s PRO 120 Cb -0.39 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 31.74 2qyb s PRO 120 CO 0.51 -0.96 1.00 1.97 0.04 0.00 0.00 177.00 179.55 2qyb n PHE 121 N -0.63 0.03 -3.93 0.56 -1.74 -0.00 -4.99 117.46 106.77 2qyb n PHE 121 Ca 0.08 -0.48 0.01 0.00 -0.56 0.00 0.00 57.45 56.50 2qyb n PHE 121 Cb 0.44 -0.05 0.01 0.00 1.52 0.00 0.00 39.48 41.41 2qyb n PHE 121 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2qyb s GLY 122 N -0.96 -0.08 -0.04 4.97 0.00 -1.19 -1.12 107.32 108.89 2qyb s GLY 122 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.75 2qyb s GLY 122 CO 0.01 4.31 -0.12 -0.42 0.00 0.00 0.00 173.10 176.88 2qyb s ILE 123 N -2.10 1.09 -0.34 0.90 -1.09 -0.56 -0.43 121.20 118.67 2qyb s ILE 123 Ca 0.26 -0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 2qyb s ILE 123 Cb -0.01 -0.96 -0.02 0.00 -1.58 0.00 0.00 42.46 39.89 2qyb s ILE 123 CO 0.01 0.33 0.32 -0.22 -1.23 0.00 0.00 174.94 174.14 2qyb s LEU 124 N 0.30 4.43 -0.11 2.97 2.96 0.43 -1.53 118.68 128.14 2qyb s LEU 124 Ca -0.07 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2qyb s LEU 124 Cb -0.12 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2qyb s LEU 124 CO 0.02 -0.29 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.24 2qyb s SER 125 N 1.73 4.46 0.02 3.68 0.01 -0.05 -0.44 113.70 123.11 2qyb s SER 125 Ca 0.10 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2qyb s SER 125 Cb -0.17 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 2qyb s SER 125 CO 0.11 0.25 -0.06 0.68 0.41 0.00 0.00 173.24 174.64 2qyb s VAL 126 N -0.15 0.39 -0.01 3.43 -7.23 -0.01 -0.58 120.40 116.24 2qyb s VAL 126 Ca 0.01 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2qyb s VAL 126 Cb -0.13 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.40 2qyb s VAL 126 CO 0.03 -0.23 0.02 -0.36 -0.31 0.00 0.00 175.10 174.25 2qyb s PHE 127 N -0.91 0.02 -0.18 2.82 0.08 0.06 -1.26 117.98 118.61 2qyb s PHE 127 Ca -0.07 0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 2qyb s PHE 127 Cb -0.07 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.22 2qyb s PHE 127 CO -0.00 -0.05 -0.04 0.45 -0.10 0.00 0.00 175.22 175.48 2qyb s SER 128 N 0.60 4.52 -0.02 1.36 0.15 -0.72 -0.49 113.70 119.09 2qyb s SER 128 Ca -0.05 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.43 2qyb s SER 128 Cb -0.07 -1.75 0.30 0.00 -1.71 0.00 0.00 66.02 62.78 2qyb s SER 128 CO -0.02 0.08 1.19 0.54 1.20 0.00 0.00 173.24 176.23 2qyb n ARG 129 N 4.11 1.96 -0.04 5.44 1.74 -1.26 -1.12 116.66 127.49 2qyb n ARG 129 Ca -0.18 -1.19 -0.06 0.00 -0.77 0.00 0.00 57.85 55.65 2qyb n ARG 129 Cb 0.52 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 2qyb n ARG 129 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2qyb n THR 130 N 0.39 0.40 -3.97 0.55 -1.04 -1.26 -4.75 114.28 104.59 2qyb n THR 130 Ca 0.11 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.05 61.91 2qyb n THR 130 Cb 0.36 -1.15 -0.10 0.00 -1.82 0.00 0.00 70.33 67.63 2qyb n THR 130 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2qyb s ILE 131 N -2.14 0.16 0.27 12.58 -1.16 -1.26 -5.06 121.20 124.59 2qyb s ILE 131 Ca -0.10 -1.29 0.06 0.00 -0.51 0.00 0.00 60.65 58.81 2qyb s ILE 131 Cb 0.03 -1.04 -0.03 0.00 0.61 0.00 0.00 42.46 42.04 2qyb s ILE 131 CO 0.14 -0.71 0.36 0.68 -2.81 0.00 0.00 174.94 172.60 2qyb s VAL 132 N -2.97 4.84 0.00 4.00 -7.23 -1.26 -4.13 120.40 113.64 2qyb s VAL 132 Ca -0.02 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2qyb s VAL 132 Cb 0.01 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.27 2qyb s VAL 132 CO -0.06 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2qyb n GLY 133 N -1.43 0.51 0.35 2.32 0.00 -0.68 -4.91 105.19 101.34 2qyb n GLY 133 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2qyb n GLY 133 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qyb h LEU 134 N 0.00 0.57 -6.69 0.99 6.46 -1.82 -3.32 115.31 111.50 2qyb h LEU 134 Ca 0.00 0.00 -0.79 0.00 -0.12 0.00 0.00 57.88 56.97 2qyb h LEU 134 Cb 0.01 -0.12 -0.23 0.00 -0.73 0.00 0.00 40.66 39.59 2qyb h LEU 134 CO 0.00 0.37 1.29 0.49 -0.62 0.00 0.00 178.44 179.96 2qyb n PHE 135 N -4.48 2.49 -2.12 1.25 3.72 -1.26 -4.74 117.46 112.33 2qyb n PHE 135 Ca 0.09 -2.65 -0.27 0.00 -0.05 0.00 0.00 57.45 54.58 2qyb n PHE 135 Cb 0.24 -1.52 0.10 0.00 -0.94 0.00 0.00 39.48 37.37 2qyb n PHE 135 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2qyb s ASN 136 N -0.78 4.34 0.21 4.37 2.20 -1.25 -4.85 114.94 119.17 2qyb s ASN 136 Ca 0.35 0.40 -0.09 0.00 -0.94 0.00 0.00 52.86 52.57 2qyb s ASN 136 Cb 0.07 -0.85 0.17 0.00 -2.00 0.00 0.00 41.25 38.64 2qyb s ASN 136 CO 0.06 -1.93 1.86 -0.33 -2.94 0.00 0.00 177.10 173.82 2qyb h GLU 137 N -0.91 1.06 -0.37 3.55 4.39 -1.97 -1.34 114.58 118.99 2qyb h GLU 137 Ca -0.44 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.22 2qyb h GLU 137 Cb 1.30 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 2qyb h GLU 137 CO 0.55 0.74 0.10 -1.00 -1.16 0.00 0.00 179.01 178.24 2qyb h PRO 138 N 1.08 0.23 -0.59 2.33 0.13 -1.96 0.11 132.00 133.33 2qyb h PRO 138 Ca 0.28 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.32 2qyb h PRO 138 Cb -0.06 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.00 2qyb h PRO 138 CO -0.05 0.16 0.07 0.35 -0.23 0.00 0.00 178.00 178.29 2qyb h PHE 139 N 0.24 1.06 -0.56 1.56 3.57 -1.73 -1.64 116.94 119.45 2qyb h PHE 139 Ca 0.17 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2qyb h PHE 139 Cb 0.17 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2qyb h PHE 139 CO -0.17 0.93 0.37 -0.07 -2.23 0.00 0.00 178.31 177.14 2qyb h LEU 140 N 0.89 0.54 -0.02 0.59 3.38 -1.10 -1.06 115.31 118.53 2qyb h LEU 140 Ca 0.17 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2qyb h LEU 140 Cb 0.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2qyb h LEU 140 CO 0.02 0.37 -0.16 0.78 0.09 0.00 0.00 178.44 179.54 2qyb h ASN 141 N 0.63 -0.47 -0.52 -0.43 -0.26 0.15 -2.02 115.58 112.66 2qyb h ASN 141 Ca 0.23 0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.95 2qyb h ASN 141 Cb 0.12 0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.56 2qyb h ASN 141 CO -0.06 -0.22 0.01 0.25 -1.06 0.00 0.00 177.43 176.35 2qyb h LEU 142 N -0.26 0.92 -0.72 1.61 6.46 -0.85 -1.22 115.31 121.25 2qyb h LEU 142 Ca 0.06 -0.24 -0.06 0.00 -0.12 0.00 0.00 57.88 57.52 2qyb h LEU 142 Cb 0.33 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2qyb h LEU 142 CO -0.17 0.97 0.20 -0.07 -0.62 0.00 0.00 178.44 178.75 2qyb h LEU 143 N 0.88 1.08 -1.09 2.25 3.38 -1.10 0.15 115.31 120.86 2qyb h LEU 143 Ca 0.16 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2qyb h LEU 143 Cb 0.49 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2qyb h LEU 143 CO 0.02 1.02 -0.29 -0.33 0.09 0.00 0.00 178.44 178.95 2qyb h GLU 144 N 1.09 0.28 -0.04 1.13 5.08 -1.08 0.15 114.58 121.19 2qyb h GLU 144 Ca 0.23 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2qyb h GLU 144 Cb 0.34 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qyb h GLU 144 CO -0.00 0.55 -0.03 0.77 -1.00 0.00 0.00 179.01 179.30 2qyb h SER 145 N 0.25 0.10 -0.74 1.42 0.02 -0.42 -1.24 113.55 112.94 2qyb h SER 145 Ca 0.04 -0.45 0.15 0.00 -0.84 0.00 0.00 61.79 60.69 2qyb h SER 145 Cb 0.64 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.05 2qyb h SER 145 CO 0.05 0.53 0.22 0.25 -1.14 0.00 0.00 176.83 176.73 2qyb h LEU 146 N -0.33 0.10 -0.72 5.07 6.46 -0.46 -1.87 115.31 123.57 2qyb h LEU 146 Ca 0.01 0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.79 2qyb h LEU 146 Cb 0.49 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2qyb h LEU 146 CO 0.01 0.01 -0.20 0.00 -0.62 0.00 0.00 178.44 177.63 2qyb h ALA 147 N 1.59 0.90 -0.39 1.25 0.00 -0.44 -1.14 119.26 121.02 2qyb h ALA 147 Ca 0.41 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2qyb h ALA 147 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qyb h ALA 147 CO -0.47 0.62 -0.12 0.78 0.00 0.00 0.00 179.25 180.06 2qyb h GLY 148 N 0.97 0.75 1.76 0.00 0.00 -0.70 0.75 103.07 106.60 2qyb h GLY 148 Ca 0.10 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2qyb h GLY 148 CO 0.05 0.51 -0.72 1.46 0.00 0.00 0.00 176.54 177.85 2qyb h GLN 149 N 0.63 0.23 -0.10 4.80 4.20 -0.79 -1.26 115.11 122.83 2qyb h GLN 149 Ca 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2qyb h GLN 149 Cb 0.57 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2qyb h GLN 149 CO 0.04 0.86 0.01 -0.07 -0.67 0.00 0.00 178.83 178.99 2qyb h LEU 150 N 0.16 0.16 -0.87 1.46 3.38 -1.09 -2.36 115.31 116.15 2qyb h LEU 150 Ca -0.02 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 57.80 2qyb h LEU 150 Cb 1.28 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2qyb h LEU 150 CO 0.11 0.39 0.49 0.00 0.09 0.00 0.00 178.44 179.52 2qyb h ALA 151 N 0.78 1.30 -0.19 1.53 0.00 -0.70 -1.44 119.26 120.53 2qyb h ALA 151 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qyb h ALA 151 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qyb h ALA 151 CO 0.00 0.02 0.09 0.37 0.00 0.00 0.00 179.25 179.74 2qyb h GLN 152 N 0.74 0.27 -0.78 0.00 5.75 -1.17 -2.33 115.11 117.59 2qyb h GLN 152 Ca 0.45 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.89 2qyb h GLN 152 Cb 0.54 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 2qyb h GLN 152 CO -0.31 0.29 0.40 0.00 -2.65 0.00 0.00 178.83 176.56 2qyb h ALA 153 N 0.96 1.23 0.36 3.38 0.00 -0.80 -1.38 119.26 123.01 2qyb h ALA 153 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qyb h ALA 153 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2qyb h ALA 153 CO -0.01 0.60 -0.17 0.28 0.00 0.00 0.00 179.25 179.95 2qyb h VAL 154 N 1.10 0.65 -0.89 0.00 2.07 -1.18 -3.01 116.25 114.99 2qyb h VAL 154 Ca 0.27 -0.37 0.20 0.00 0.82 0.00 0.00 66.70 67.63 2qyb h VAL 154 Cb 0.07 0.84 -0.12 0.00 -1.52 0.00 0.00 31.29 30.56 2qyb h VAL 154 CO -0.04 0.07 0.41 0.11 0.02 0.00 0.00 177.57 178.14 2qyb h LYS 155 N -0.69 0.44 -0.75 1.57 1.57 -1.28 0.12 116.57 117.55 2qyb h LYS 155 Ca -0.05 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.87 2qyb h LYS 155 Cb 0.49 -0.10 -0.14 0.00 0.08 0.00 0.00 32.23 32.56 2qyb h LYS 155 CO 0.08 0.29 -0.09 0.82 -0.57 0.00 0.00 179.45 179.98 2qyb h ILE 156 N 0.46 0.29 -0.00 1.86 2.04 -1.12 -3.52 117.51 117.52 2qyb h ILE 156 Ca 0.54 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.38 2qyb h ILE 156 Cb 0.97 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2qyb h ILE 156 CO -0.49 0.01 0.00 0.52 0.00 0.00 0.00 178.15 178.19