#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqg s VAL 3 N 0.00 2.03 0.04 2.41 1.01 0.03 -0.81 120.40 125.11 1yqg s VAL 3 Ca 0.00 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.01 1yqg s VAL 3 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 1yqg s VAL 3 CO 0.00 -0.27 0.49 -0.31 0.00 0.00 0.00 175.10 175.01 1yqg s TYR 4 N 1.11 3.77 -0.14 5.22 2.02 0.03 -1.58 117.35 127.78 1yqg s TYR 4 Ca -0.01 1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 57.81 1yqg s TYR 4 Cb -0.19 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 1yqg s TYR 4 CO -0.07 0.62 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.36 1yqg s PHE 5 N -1.10 2.88 -0.59 2.71 0.40 -0.05 0.51 117.98 122.74 1yqg s PHE 5 Ca 0.26 -0.58 -0.19 0.00 -0.60 0.00 0.00 56.93 55.83 1yqg s PHE 5 Cb -0.18 -1.89 0.09 0.00 0.51 0.00 0.00 43.02 41.55 1yqg s PHE 5 CO 0.16 -0.19 0.72 -1.17 0.70 0.00 0.00 175.22 175.44 1yqg s LEU 6 N 0.42 5.23 0.00 -0.37 0.20 0.08 -0.53 118.68 123.72 1yqg s LEU 6 Ca -0.08 -1.31 0.00 0.00 0.69 0.00 0.00 54.13 53.43 1yqg s LEU 6 Cb -0.15 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 1yqg s LEU 6 CO 0.04 -1.11 0.00 0.61 -0.29 0.00 0.00 176.35 175.60 1yqg n GLY 7 N 5.27 2.71 0.48 7.98 0.00 0.99 -0.95 105.19 121.66 1yqg n GLY 7 Ca -0.09 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.59 1yqg n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqg n GLY 8 N 1.54 4.98 0.05 -0.02 0.00 -1.26 -4.76 105.19 105.72 1yqg n GLY 8 Ca 0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 1yqg n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqg n GLY 9 N -1.21 -2.51 0.39 -0.02 0.00 -1.26 -4.54 105.19 96.04 1yqg n GLY 9 Ca 0.19 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1yqg n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yqg n ASN 10 N -3.03 0.00 0.00 1.61 5.03 -1.26 -0.96 115.26 116.65 1yqg n ASN 10 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1yqg n ASN 10 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1yqg n ASN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1yqg n ALA 12 N 0.26 0.00 -0.00 5.41 0.00 -1.26 -1.60 120.51 123.32 1yqg n ALA 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1yqg n ALA 12 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1yqg n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yqg h ALA 13 N 0.00 1.29 0.15 0.00 0.00 -1.28 0.22 119.26 119.63 1yqg h ALA 13 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1yqg h ALA 13 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1yqg h ALA 13 CO 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.65 1yqg h ALA 14 N 1.44 -0.20 -0.49 0.00 0.00 -1.56 -0.39 119.26 118.06 1yqg h ALA 14 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yqg h ALA 14 Cb 0.42 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1yqg h ALA 14 CO 0.02 -0.50 0.24 0.28 0.00 0.00 0.00 179.25 179.29 1yqg h VAL 15 N -0.43 1.19 -0.68 0.00 2.07 -1.79 -0.31 116.25 116.30 1yqg h VAL 15 Ca -0.02 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1yqg h VAL 15 Cb 0.34 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1yqg h VAL 15 CO 0.03 0.21 0.38 0.00 0.02 0.00 0.00 177.57 178.21 1yqg h ALA 16 N 1.08 0.91 -0.49 1.67 0.00 -0.48 -0.28 119.26 121.68 1yqg h ALA 16 Ca 0.17 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1yqg h ALA 16 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yqg h ALA 16 CO -0.02 0.05 -0.07 0.78 0.00 0.00 0.00 179.25 179.98 1yqg h GLY 17 N 0.69 0.95 0.54 0.00 0.00 -0.68 -0.92 103.07 103.65 1yqg h GLY 17 Ca 0.31 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1yqg h GLY 17 CO -0.19 0.66 0.03 -1.33 0.00 0.00 0.00 176.54 175.71 1yqg h GLY 18 N 0.98 0.35 1.25 4.60 0.00 -0.52 -1.77 103.07 107.95 1yqg h GLY 18 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 1yqg h GLY 18 CO 0.04 -0.05 -0.11 1.41 0.00 0.00 0.00 176.54 177.83 1yqg h LEU 19 N 0.14 0.88 -0.27 3.11 3.38 -0.53 -1.73 115.31 120.28 1yqg h LEU 19 Ca 0.16 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1yqg h LEU 19 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1yqg h LEU 19 CO -0.24 1.00 0.07 0.58 0.09 0.00 0.00 178.44 179.95 1yqg h VAL 20 N 0.79 0.90 -0.71 1.22 2.07 -1.04 -0.98 116.25 118.50 1yqg h VAL 20 Ca 0.13 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1yqg h VAL 20 Cb 0.63 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1yqg h VAL 20 CO 0.04 0.03 0.32 0.11 0.02 0.00 0.00 177.57 178.10 1yqg h LYS 21 N 0.18 1.02 -0.64 1.57 1.57 -1.07 -2.62 116.57 116.60 1yqg h LYS 21 Ca 0.12 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1yqg h LYS 21 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1yqg h LYS 21 CO -0.14 0.80 0.06 1.96 -0.57 0.00 0.00 179.45 181.55 1yqg h GLN 22 N 1.01 1.08 0.00 3.15 1.08 -0.93 -3.49 115.11 117.01 1yqg h GLN 22 Ca 0.24 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1yqg h GLN 22 Cb 0.13 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1yqg h GLN 22 CO -0.03 1.03 0.00 0.41 -0.95 0.00 0.00 178.83 179.29 1yqg n GLY 23 N -0.50 -0.47 0.86 3.46 0.00 -0.41 -5.01 105.19 103.13 1yqg n GLY 23 Ca 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1yqg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqg n GLY 24 N -0.02 0.73 3.70 -0.02 0.00 -1.26 -4.97 105.19 103.34 1yqg n GLY 24 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1yqg n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yqg s TYR 25 N -2.47 2.89 -0.38 1.61 2.02 -1.26 -5.02 117.35 114.74 1yqg s TYR 25 Ca 0.00 -0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 1yqg s TYR 25 Cb 0.00 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1yqg s TYR 25 CO 0.00 0.54 0.22 0.50 -1.57 0.00 0.00 175.55 175.25 1yqg s ARG 26 N -3.30 2.88 -0.08 -0.62 3.00 -1.26 -5.00 118.95 114.57 1yqg s ARG 26 Ca 0.30 -1.05 -0.12 0.00 -1.00 0.00 0.00 55.73 53.85 1yqg s ARG 26 Cb -0.08 -3.78 -0.05 0.00 0.00 0.00 0.00 34.95 31.04 1yqg s ARG 26 CO 0.21 -0.70 0.30 0.42 0.00 0.00 0.00 175.30 175.53 1yqg s ILE 27 N 1.58 5.24 -0.09 4.11 -1.09 -1.26 -0.79 121.20 128.90 1yqg s ILE 27 Ca 0.03 0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 1yqg s ILE 27 Cb -0.19 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1yqg s ILE 27 CO 0.07 0.54 0.19 -0.47 -1.23 0.00 0.00 174.94 174.04 1yqg s TYR 28 N -0.67 -0.24 -0.23 3.97 6.14 -0.61 -3.48 117.35 122.23 1yqg s TYR 28 Ca 0.19 0.68 -0.03 0.00 0.64 0.00 0.00 57.07 58.55 1yqg s TYR 28 Cb -0.14 -0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.08 1yqg s TYR 28 CO 0.08 -0.27 -0.05 0.42 0.64 0.00 0.00 175.55 176.37 1yqg s ILE 29 N 2.05 3.20 -0.18 3.14 1.01 0.26 -0.87 121.20 129.81 1yqg s ILE 29 Ca -0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1yqg s ILE 29 Cb -0.12 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1yqg s ILE 29 CO -0.07 0.35 0.47 0.00 0.00 0.00 0.00 174.94 175.70 1yqg s ALA 30 N 1.43 3.53 -0.28 9.38 0.00 0.32 -1.32 121.76 134.81 1yqg s ALA 30 Ca 0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.47 1yqg s ALA 30 Cb -0.15 -2.72 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1yqg s ALA 30 CO -0.04 -0.28 0.69 1.21 0.00 0.00 0.00 175.76 177.34 1yqg s ASN 31 N 0.98 -0.97 0.03 0.00 3.84 -0.63 -0.01 114.94 118.18 1yqg s ASN 31 Ca 0.23 1.50 -0.28 0.00 0.21 0.00 0.00 52.86 54.53 1yqg s ASN 31 Cb -0.15 1.56 -0.15 0.00 -0.55 0.00 0.00 41.25 41.96 1yqg s ASN 31 CO 0.09 -0.23 1.22 -0.09 -2.79 0.00 0.00 177.10 175.30 1yqg h ARG 32 N 7.17 -0.97 -6.72 0.43 1.12 -1.84 -3.35 114.38 110.22 1yqg h ARG 32 Ca -0.28 0.07 -0.52 0.00 -1.11 0.00 0.00 59.98 58.14 1yqg h ARG 32 Cb 1.20 0.22 0.04 0.00 -0.01 0.00 0.00 29.97 31.42 1yqg h ARG 32 CO 0.15 -0.65 0.66 0.20 -3.11 0.00 0.00 179.97 177.22 1yqg s GLY 33 N -2.22 2.54 0.21 2.80 0.00 -1.26 -4.76 107.32 104.64 1yqg s GLY 33 Ca -0.15 1.15 -0.07 0.00 0.00 0.00 0.00 44.72 45.66 1yqg s GLY 33 CO 0.44 2.05 1.71 0.00 0.00 0.00 0.00 173.10 177.30 1yqg h ALA 34 N 4.95 0.96 -0.38 3.20 0.00 -2.00 -3.27 119.26 122.71 1yqg h ALA 34 Ca -0.46 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.22 1yqg h ALA 34 Cb 1.22 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1yqg h ALA 34 CO 0.75 0.65 -0.23 0.39 0.00 0.00 0.00 179.25 180.81 1yqg n GLU 35 N -4.21 -0.17 0.02 0.00 1.02 -1.26 -0.13 120.64 115.91 1yqg n GLU 35 Ca 0.04 0.74 0.12 0.00 -0.02 0.00 0.00 57.16 58.04 1yqg n GLU 35 Cb 0.29 -1.09 0.23 0.00 -0.02 0.00 0.00 31.44 30.85 1yqg n GLU 35 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1yqg n LYS 36 N -4.05 0.12 -0.05 3.49 2.85 -1.24 -2.90 118.16 116.37 1yqg n LYS 36 Ca 0.01 0.03 -0.11 0.00 -1.05 0.00 0.00 58.31 57.19 1yqg n LYS 36 Cb 0.10 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 32.86 1yqg n LYS 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1yqg h ARG 37 N 0.00 0.27 -0.76 -1.58 3.08 -0.89 -2.57 114.38 111.94 1yqg h ARG 37 Ca 0.00 -0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.17 1yqg h ARG 37 Cb 0.60 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.48 1yqg h ARG 37 CO 0.00 0.37 0.05 0.93 -1.07 0.00 0.00 179.97 180.25 1yqg h GLU 38 N 0.12 0.13 -0.23 0.04 4.39 -0.47 -2.67 114.58 115.89 1yqg h GLU 38 Ca 0.06 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1yqg h GLU 38 Cb 0.21 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1yqg h GLU 38 CO -0.00 0.09 -0.03 0.00 -1.16 0.00 0.00 179.01 177.90 1yqg h ARG 39 N 0.13 0.43 -0.44 2.33 3.08 -1.43 -2.74 114.38 115.74 1yqg h ARG 39 Ca 0.42 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 1yqg h ARG 39 Cb 0.75 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1yqg h ARG 39 CO -0.64 0.64 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.76 1yqg h LEU 40 N 0.18 0.73 -0.78 3.04 3.38 -1.38 -1.06 115.31 119.41 1yqg h LEU 40 Ca 0.06 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1yqg h LEU 40 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1yqg h LEU 40 CO 0.02 0.84 -0.28 -0.33 0.09 0.00 0.00 178.44 178.77 1yqg h GLU 41 N 0.69 0.60 -0.00 1.13 5.08 -1.47 0.26 114.58 120.87 1yqg h GLU 41 Ca 0.13 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1yqg h GLU 41 Cb 0.52 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1yqg h GLU 41 CO 0.03 0.82 -0.51 0.87 -1.00 0.00 0.00 179.01 179.22 1yqg h LYS 42 N 0.52 0.35 0.11 2.33 1.57 -1.16 -2.55 116.57 117.74 1yqg h LYS 42 Ca 0.07 -0.38 -0.20 0.00 -1.87 0.00 0.00 60.65 58.27 1yqg h LYS 42 Cb 0.75 0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.18 1yqg h LYS 42 CO 0.06 1.06 -0.96 0.93 -0.57 0.00 0.00 179.45 179.97 1yqg h GLU 43 N -0.20 0.23 0.00 3.15 5.08 -1.25 -3.41 114.58 118.18 1yqg h GLU 43 Ca -0.06 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.83 1yqg h GLU 43 Cb 1.24 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1yqg h GLU 43 CO 0.10 1.19 -1.77 1.28 -1.00 0.00 0.00 179.01 178.81 1yqg n LEU 44 N -4.13 0.00 -0.62 1.33 4.77 0.84 -5.00 117.00 114.20 1yqg n LEU 44 Ca -0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.73 1yqg n LEU 44 Cb 0.80 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 1yqg n LEU 44 CO 0.43 0.10 -0.07 0.61 -1.33 0.00 0.00 177.39 177.12 1yqg n GLY 45 N 1.78 0.65 3.89 -0.72 0.00 -0.79 -5.00 105.19 105.00 1yqg n GLY 45 Ca -0.08 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1yqg n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yqg s VAL 46 N -2.29 4.93 0.37 1.61 -7.23 -1.24 -4.96 120.40 111.60 1yqg s VAL 46 Ca 0.00 0.32 -0.27 0.00 -1.81 0.00 0.00 61.98 60.22 1yqg s VAL 46 Cb 0.00 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 1yqg s VAL 46 CO 0.00 -0.30 1.25 -1.61 -0.31 0.00 0.00 175.10 174.13 1yqg s GLU 47 N -3.43 4.17 0.08 4.82 2.02 -1.23 -4.21 118.70 120.92 1yqg s GLU 47 Ca 0.47 2.06 -0.01 0.00 0.02 0.00 0.00 54.97 57.51 1yqg s GLU 47 Cb -0.11 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1yqg s GLU 47 CO 0.28 -0.29 0.01 0.95 0.02 0.00 0.00 175.26 176.23 1yqg s THR 48 N -1.25 0.17 0.05 3.63 -4.23 -1.26 -0.57 115.64 112.18 1yqg s THR 48 Ca 0.53 -1.82 -0.27 0.00 -1.18 0.00 0.00 61.69 58.96 1yqg s THR 48 Cb -0.36 -1.71 0.09 0.00 1.34 0.00 0.00 72.50 71.85 1yqg s THR 48 CO 0.47 -0.78 0.77 -0.55 -0.54 0.00 0.00 174.62 173.99 1yqg s SER 49 N -2.97 -0.45 0.43 3.99 0.15 -0.43 -4.90 113.70 109.51 1yqg s SER 49 Ca 0.13 0.03 0.13 0.00 0.70 0.00 0.00 55.95 56.94 1yqg s SER 49 Cb 0.08 0.47 0.93 0.00 -1.71 0.00 0.00 66.02 65.79 1yqg s SER 49 CO -0.06 -0.75 1.97 0.00 1.20 0.00 0.00 173.24 175.61 1yqg h ALA 50 N 2.05 1.65 -2.42 5.45 0.00 -1.86 -1.67 119.26 122.45 1yqg h ALA 50 Ca -0.27 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 1yqg h ALA 50 Cb 1.26 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1yqg h ALA 50 CO 0.34 0.26 -0.63 0.95 0.00 0.00 0.00 179.25 180.17 1yqg s THR 51 N -4.72 0.32 0.25 0.00 -4.23 -1.26 -3.73 115.64 102.27 1yqg s THR 51 Ca -0.05 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.23 1yqg s THR 51 Cb 0.16 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 1yqg s THR 51 CO 0.71 -0.14 0.86 -0.76 -0.54 0.00 0.00 174.62 174.74 1yqg s LEU 52 N -3.20 4.44 0.00 4.79 1.43 -1.26 -4.75 118.68 120.14 1yqg s LEU 52 Ca 0.34 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 1yqg s LEU 52 Cb 0.07 -3.70 0.16 0.00 0.03 0.00 0.00 46.19 42.75 1yqg s LEU 52 CO 0.10 0.05 0.92 -0.81 0.23 0.00 0.00 176.35 176.84 1yqg n PRO 53 N 0.96 -1.09 -1.73 1.29 -0.04 -1.26 -4.97 135.00 128.16 1yqg n PRO 53 Ca -0.01 -1.42 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 1yqg n PRO 53 Cb 0.50 -0.99 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1yqg n PRO 53 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yqg n GLU 54 N -3.08 2.58 -3.79 0.54 2.13 -1.26 -5.00 120.64 112.77 1yqg n GLU 54 Ca 0.12 0.92 -0.28 0.00 0.66 0.00 0.00 57.16 58.58 1yqg n GLU 54 Cb 0.41 -2.69 -0.03 0.00 0.27 0.00 0.00 31.44 29.39 1yqg n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1yqg s LEU 55 N -0.06 4.28 0.19 4.31 1.43 -1.26 -5.13 118.68 122.43 1yqg s LEU 55 Ca 0.67 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1yqg s LEU 55 Cb -0.53 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1yqg s LEU 55 CO 0.46 0.02 0.03 -1.00 0.23 0.00 0.00 176.35 176.09 1yqg s HIS 56 N -1.76 1.24 -0.33 0.29 3.76 -1.26 -4.63 115.29 112.60 1yqg s HIS 56 Ca 0.37 -1.08 0.25 0.00 -0.15 0.00 0.00 55.06 54.45 1yqg s HIS 56 Cb -0.11 -0.71 1.11 0.00 1.11 0.00 0.00 32.58 33.98 1yqg s HIS 56 CO 0.28 -0.28 1.75 0.66 -0.85 0.00 0.00 174.74 176.30 1yqg h SER 57 N 2.65 0.00 -0.10 1.40 4.64 -1.77 0.08 113.55 120.45 1yqg h SER 57 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1yqg h SER 57 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1yqg h SER 57 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1yqg n ASP 58 N -2.35 1.62 -4.94 4.97 5.75 -1.26 -4.38 116.55 115.95 1yqg n ASP 58 Ca 0.01 -1.62 -0.24 0.00 -0.01 0.00 0.00 54.79 52.93 1yqg n ASP 58 Cb 0.19 -0.06 0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1yqg n ASP 58 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1yqg s ASP 59 N -1.77 5.58 -0.06 -1.12 1.01 0.01 -4.57 116.67 115.76 1yqg s ASP 59 Ca 0.35 0.38 0.04 0.00 0.71 0.00 0.00 52.55 54.03 1yqg s ASP 59 Cb 0.19 -1.44 -0.02 0.00 1.01 0.00 0.00 42.92 42.66 1yqg s ASP 59 CO 0.30 -0.96 -0.18 -0.69 0.21 0.00 0.00 175.17 173.85 1yqg s VAL 60 N -2.78 2.75 -0.17 -1.27 1.01 0.01 -2.15 120.40 117.80 1yqg s VAL 60 Ca 0.53 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1yqg s VAL 60 Cb -0.10 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1yqg s VAL 60 CO 0.41 0.58 -0.13 -0.22 0.00 0.00 0.00 175.10 175.74 1yqg s LEU 61 N -0.45 2.58 -0.29 3.92 0.20 0.54 -0.79 118.68 124.39 1yqg s LEU 61 Ca 0.05 -0.45 -0.07 0.00 0.69 0.00 0.00 54.13 54.35 1yqg s LEU 61 Cb -0.12 -1.61 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 1yqg s LEU 61 CO 0.02 0.06 0.08 -0.63 -0.29 0.00 0.00 176.35 175.58 1yqg s ILE 62 N 0.99 3.94 -0.26 6.68 -1.09 0.18 -0.93 121.20 130.71 1yqg s ILE 62 Ca -0.02 -0.70 -0.26 0.00 -2.23 0.00 0.00 60.65 57.44 1yqg s ILE 62 Cb -0.15 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1yqg s ILE 62 CO -0.02 0.09 0.91 -0.76 -1.23 0.00 0.00 174.94 173.93 1yqg s LEU 63 N 1.50 4.07 -0.02 2.97 1.43 0.11 -0.74 118.68 128.00 1yqg s LEU 63 Ca 0.03 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.30 1yqg s LEU 63 Cb -0.17 -3.31 0.18 0.00 0.03 0.00 0.00 46.19 42.91 1yqg s LEU 63 CO 0.02 -0.62 1.07 0.00 0.23 0.00 0.00 176.35 177.06 1yqg n ALA 64 N 6.23 2.20 -2.29 4.21 0.00 -0.13 -2.07 120.51 128.66 1yqg n ALA 64 Ca 0.08 -1.65 -0.29 0.00 0.00 0.00 0.00 53.44 51.59 1yqg n ALA 64 Cb 0.47 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 1yqg n ALA 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1yqg s VAL 65 N -0.33 4.88 0.30 0.00 -7.23 -1.11 -4.71 120.40 112.21 1yqg s VAL 65 Ca 0.15 0.33 -0.29 0.00 -1.81 0.00 0.00 61.98 60.36 1yqg s VAL 65 Cb 0.16 -3.78 -0.13 0.00 0.56 0.00 0.00 36.38 33.19 1yqg s VAL 65 CO -0.06 -0.60 1.20 2.29 -0.31 0.00 0.00 175.10 177.63 1yqg n LYS 66 N -1.58 1.79 -0.36 4.82 0.00 -1.26 -4.73 118.16 116.84 1yqg n LYS 66 Ca 0.01 0.63 0.04 0.00 -0.00 0.00 0.00 58.31 58.98 1yqg n LYS 66 Cb 0.54 -2.14 0.19 0.00 -0.00 0.00 0.00 35.03 33.63 1yqg n LYS 66 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1yqg h PRO 67 N 2.64 1.10 0.00 -1.58 0.13 -1.96 -1.11 132.00 131.22 1yqg h PRO 67 Ca -0.43 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1yqg h PRO 67 Cb 1.31 -0.25 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1yqg h PRO 67 CO 0.64 0.73 -0.10 -0.56 -0.23 0.00 0.00 178.00 178.48 1yqg h GLN 68 N 1.13 0.00 -2.40 0.86 -0.00 -1.93 -3.39 115.11 109.38 1yqg h GLN 68 Ca 0.44 0.00 -0.79 0.00 -0.00 0.00 0.00 58.65 58.31 1yqg h GLN 68 Cb 0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 27.48 27.50 1yqg h GLN 68 CO -0.19 0.10 1.54 -0.25 -0.00 0.00 0.00 178.83 180.03 1yqg n ASP 69 N -3.48 7.59 0.00 0.06 8.00 -0.42 -4.84 116.55 123.45 1yqg n ASP 69 Ca -0.01 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1yqg n ASP 69 Cb 0.25 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1yqg n ASP 69 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1yqg n GLU 71 N 0.62 0.00 0.07 -1.24 2.13 -1.26 -1.85 120.64 119.12 1yqg n GLU 71 Ca 0.52 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.24 1yqg n GLU 71 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1yqg n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yqg h ALA 72 N 0.00 0.52 -0.55 4.31 0.00 -1.96 -1.78 119.26 119.81 1yqg h ALA 72 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.28 1yqg h ALA 72 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1yqg h ALA 72 CO 0.00 0.84 0.37 0.00 0.00 0.00 0.00 179.25 180.46 1yqg h ALA 73 N 0.92 1.79 -0.00 0.00 0.00 -1.78 -2.13 119.26 118.07 1yqg h ALA 73 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yqg h ALA 73 Cb 1.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yqg h ALA 73 CO 0.14 0.13 -0.52 0.00 0.00 0.00 0.00 179.25 178.99 1yqg h LYS 75 N 0.19 0.14 -0.03 0.00 3.64 -0.62 -2.50 116.57 117.38 1yqg h LYS 75 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1yqg h LYS 75 Cb 0.50 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1yqg h LYS 75 CO 0.00 0.09 0.00 0.09 -2.27 0.00 0.00 179.45 177.36 1yqg n ASN 76 N -5.30 2.04 -4.70 4.20 4.13 -1.26 -5.01 115.26 109.36 1yqg n ASN 76 Ca 0.21 -1.95 -0.42 0.00 1.68 0.00 0.00 54.58 54.10 1yqg n ASN 76 Cb 0.68 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.87 1yqg n ASN 76 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1yqg s ILE 77 N -0.95 3.26 -0.39 2.41 1.01 -0.94 -4.99 121.20 120.61 1yqg s ILE 77 Ca 0.02 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1yqg s ILE 77 Cb 0.01 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 39.04 1yqg s ILE 77 CO 0.02 0.02 0.21 -0.13 0.00 0.00 0.00 174.94 175.05 1yqg s ARG 78 N 2.13 2.73 0.46 2.79 0.52 -1.26 -4.91 118.95 121.40 1yqg s ARG 78 Ca 0.68 -1.22 0.26 0.00 -0.52 0.00 0.00 55.73 54.93 1yqg s ARG 78 Cb -0.37 -3.72 0.74 0.00 0.52 0.00 0.00 34.95 32.12 1yqg s ARG 78 CO 0.30 -0.78 1.75 1.79 0.02 0.00 0.00 175.30 178.37 1yqg h THR 79 N 5.98 0.20 -5.28 0.02 1.35 -1.92 -3.39 112.91 109.86 1yqg h THR 79 Ca -0.24 -1.01 -0.38 0.00 -0.55 0.00 0.00 66.41 64.23 1yqg h THR 79 Cb 1.09 1.85 -0.05 0.00 -1.73 0.00 0.00 68.15 69.31 1yqg h THR 79 CO 0.69 0.10 -0.57 0.59 -0.25 0.00 0.00 175.52 176.08 1yqg n ASN 80 N -3.16 -4.15 0.00 5.36 3.02 -1.26 -1.76 115.26 113.31 1yqg n ASN 80 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1yqg n ASN 80 Cb 0.46 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 1yqg n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yqg n GLY 81 N -1.24 0.63 3.67 7.41 0.00 -1.26 -2.89 105.19 111.51 1yqg n GLY 81 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1yqg n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yqg n ALA 82 N 0.58 0.56 -2.20 4.61 0.00 -0.72 -4.55 120.51 118.79 1yqg n ALA 82 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1yqg n ALA 82 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 1yqg n ALA 82 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1yqg s LEU 83 N -3.37 4.33 -0.15 0.00 2.96 -0.92 -4.86 118.68 116.67 1yqg s LEU 83 Ca 0.79 2.17 -0.04 0.00 -0.22 0.00 0.00 54.13 56.83 1yqg s LEU 83 Cb -0.38 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.71 1yqg s LEU 83 CO 0.44 -0.72 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.04 1yqg s VAL 84 N 2.21 4.01 -0.00 1.68 1.01 -0.27 -0.34 120.40 128.70 1yqg s VAL 84 Ca 0.65 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1yqg s VAL 84 Cb -0.33 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1yqg s VAL 84 CO 0.27 0.51 -0.14 -0.76 0.00 0.00 0.00 175.10 174.98 1yqg s LEU 85 N 0.18 2.80 -0.08 3.92 1.02 -0.10 -0.24 118.68 126.17 1yqg s LEU 85 Ca -0.01 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.90 1yqg s LEU 85 Cb -0.14 -1.61 0.01 0.00 0.02 0.00 0.00 46.19 44.47 1yqg s LEU 85 CO 0.03 0.30 -0.18 -0.55 0.02 0.00 0.00 176.35 175.96 1yqg s SER 86 N -1.17 2.40 0.00 2.29 0.15 -0.46 0.06 113.70 116.97 1yqg s SER 86 Ca 0.14 -0.42 0.21 0.00 0.70 0.00 0.00 55.95 56.58 1yqg s SER 86 Cb -0.11 -1.08 0.48 0.00 -1.71 0.00 0.00 66.02 63.61 1yqg s SER 86 CO 0.04 0.10 1.41 1.33 1.20 0.00 0.00 173.24 177.32 1yqg n VAL 87 N 3.64 0.75 -2.76 4.45 0.24 -0.88 0.16 118.33 123.94 1yqg n VAL 87 Ca -0.21 -0.88 -0.41 0.00 -2.04 0.00 0.00 64.34 60.80 1yqg n VAL 87 Cb 0.52 0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 33.59 1yqg n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yqg s ALA 88 N -1.19 3.23 0.55 2.33 0.00 -1.26 -4.77 121.76 120.65 1yqg s ALA 88 Ca 0.40 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1yqg s ALA 88 Cb 0.22 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1yqg s ALA 88 CO 0.29 -0.10 1.29 0.00 0.00 0.00 0.00 175.76 177.24 1yqg s ALA 89 N 0.44 2.74 0.00 0.00 0.00 -1.26 -4.06 121.76 119.61 1yqg s ALA 89 Ca 0.48 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1yqg s ALA 89 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1yqg s ALA 89 CO 0.28 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1yqg n GLY 90 N 0.66 0.47 3.18 0.00 0.00 -1.26 -4.70 105.19 103.54 1yqg n GLY 90 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1yqg n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yqg s LEU 91 N 0.00 3.71 0.77 0.99 1.43 -1.26 -4.45 118.68 119.88 1yqg s LEU 91 Ca 0.00 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 1yqg s LEU 91 Cb 0.00 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1yqg s LEU 91 CO 0.00 -0.22 1.08 -0.94 0.23 0.00 0.00 176.35 176.50 1yqg s SER 92 N 1.27 4.55 0.26 2.29 1.04 -1.26 -4.78 113.70 117.08 1yqg s SER 92 Ca -0.04 1.70 -0.02 0.00 0.48 0.00 0.00 55.95 58.07 1yqg s SER 92 Cb -0.19 -2.44 0.48 0.00 0.10 0.00 0.00 66.02 63.97 1yqg s SER 92 CO -0.02 -1.98 1.81 0.58 0.98 0.00 0.00 173.24 174.61 1yqg h VAL 93 N -1.09 0.88 -0.23 5.02 2.07 -1.98 0.71 116.25 121.63 1yqg h VAL 93 Ca -0.45 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1yqg h VAL 93 Cb 1.24 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1yqg h VAL 93 CO 0.53 0.15 0.15 1.23 0.02 0.00 0.00 177.57 179.65 1yqg h GLY 94 N 0.84 0.32 0.89 2.17 0.00 -1.98 0.17 103.07 105.48 1yqg h GLY 94 Ca 0.44 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.67 1yqg h GLY 94 CO -0.27 0.12 0.20 -0.84 0.00 0.00 0.00 176.54 175.75 1yqg h THR 95 N 0.30 1.02 -0.41 4.70 2.02 -1.83 -1.69 112.91 117.04 1yqg h THR 95 Ca 0.08 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1yqg h THR 95 Cb -0.02 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1yqg h THR 95 CO -0.02 0.08 0.17 -0.07 0.37 0.00 0.00 175.52 176.04 1yqg h LEU 96 N 0.41 0.21 -1.03 2.58 3.38 -0.70 -1.30 115.31 118.86 1yqg h LEU 96 Ca 0.14 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1yqg h LEU 96 Cb 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1yqg h LEU 96 CO -0.08 0.16 0.65 -1.28 0.09 0.00 0.00 178.44 177.98 1yqg h SER 97 N 0.34 1.10 -0.18 -0.43 0.87 -0.34 -1.69 113.55 113.23 1yqg h SER 97 Ca 0.18 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1yqg h SER 97 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1yqg h SER 97 CO -0.16 0.77 0.09 0.03 -0.53 0.00 0.00 176.83 177.03 1yqg h ARG 98 N 1.29 0.19 0.00 2.24 3.08 -0.87 0.31 114.38 120.61 1yqg h ARG 98 Ca 0.38 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 1yqg h ARG 98 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1yqg h ARG 98 CO -0.10 0.12 -0.19 1.88 -1.07 0.00 0.00 179.97 180.61 1yqg h TYR 99 N 0.19 0.00 -0.32 3.04 0.05 -0.60 -1.78 116.97 117.55 1yqg h TYR 99 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1yqg h TYR 99 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1yqg h TYR 99 CO -0.09 0.19 0.00 1.28 -1.05 0.00 0.00 178.16 178.49 1yqg n LEU 100 N -4.00 2.88 0.00 3.88 4.77 -0.70 -4.38 117.00 119.45 1yqg n LEU 100 Ca -0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1yqg n LEU 100 Cb 0.27 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1yqg n LEU 100 CO 0.34 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1yqg n GLY 101 N 1.38 0.61 0.00 -0.72 0.00 -0.67 -4.45 105.19 101.34 1yqg n GLY 101 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1yqg n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqg n GLY 102 N -2.73 1.71 3.62 -0.02 0.00 0.11 -5.01 105.19 102.87 1yqg n GLY 102 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1yqg n GLY 102 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yqg n THR 103 N 0.00 1.83 0.26 2.61 5.66 -1.26 -4.91 114.28 118.48 1yqg n THR 103 Ca 0.00 -0.46 0.07 0.00 -3.05 0.00 0.00 64.05 60.61 1yqg n THR 103 Cb 0.00 -1.16 0.11 0.00 -1.55 0.00 0.00 70.33 67.72 1yqg n THR 103 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yqg n ARG 104 N 0.86 1.63 -1.82 1.09 5.12 -1.26 -4.40 116.66 117.88 1yqg n ARG 104 Ca 0.09 -1.63 -0.42 0.00 -1.93 0.00 0.00 57.85 53.96 1yqg n ARG 104 Cb 0.32 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1yqg n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1yqg n ARG 105 N 0.74 3.24 -4.34 5.56 0.63 -1.26 -4.80 116.66 116.43 1yqg n ARG 105 Ca 0.10 -2.80 -0.21 0.00 -0.92 0.00 0.00 57.85 54.03 1yqg n ARG 105 Cb 0.38 -3.10 -0.16 0.00 0.45 0.00 0.00 32.46 30.03 1yqg n ARG 105 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1yqg s ILE 106 N 2.19 0.74 -0.12 5.15 1.01 -1.26 -1.11 121.20 127.79 1yqg s ILE 106 Ca 0.49 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1yqg s ILE 106 Cb 0.14 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1yqg s ILE 106 CO -0.06 0.25 -0.21 -0.69 0.00 0.00 0.00 174.94 174.22 1yqg s VAL 107 N 0.45 1.97 0.11 2.92 1.01 0.67 -4.50 120.40 123.03 1yqg s VAL 107 Ca -0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1yqg s VAL 107 Cb -0.11 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1yqg s VAL 107 CO 0.01 0.54 0.45 -0.13 0.00 0.00 0.00 175.10 175.97 1yqg s ARG 108 N 0.72 3.82 0.00 2.72 0.52 0.37 -1.36 118.95 125.74 1yqg s ARG 108 Ca -0.10 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1yqg s ARG 108 Cb -0.16 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1yqg s ARG 108 CO 0.01 0.52 0.00 0.28 0.02 0.00 0.00 175.30 176.12 1yqg n VAL 109 N 0.77 0.00 0.00 3.52 0.31 0.12 -1.06 118.33 122.00 1yqg n VAL 109 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1yqg n VAL 109 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1yqg n VAL 109 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1yqg n PRO 111 N 0.00 -1.29 -4.24 5.55 -0.04 -1.26 -4.22 135.00 129.50 1yqg n PRO 111 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1yqg n PRO 111 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1yqg n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yqg s ASN 112 N 0.00 0.60 0.35 3.54 4.22 -1.12 -4.80 114.94 117.73 1yqg s ASN 112 Ca 0.00 -1.36 0.12 0.00 -2.14 0.00 0.00 52.86 49.48 1yqg s ASN 112 Cb 0.00 0.28 0.66 0.00 1.28 0.00 0.00 41.25 43.47 1yqg s ASN 112 CO 0.00 -0.77 1.79 0.71 -2.04 0.00 0.00 177.10 176.79 1yqg h THR 113 N 2.56 1.29 0.00 0.54 1.35 -1.88 -2.04 112.91 114.72 1yqg h THR 113 Ca -0.37 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1yqg h THR 113 Cb 1.24 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1yqg h THR 113 CO 0.57 0.39 0.00 -2.65 -0.25 0.00 0.00 175.52 173.58 1yqg n PRO 114 N -4.07 0.04 0.27 4.72 -0.02 -1.26 -1.65 135.00 133.02 1yqg n PRO 114 Ca -0.02 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1yqg n PRO 114 Cb 0.43 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.15 1yqg n PRO 114 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1yqg h GLY 115 N 0.59 0.00 0.53 -1.23 0.00 -1.56 -1.12 103.07 100.29 1yqg h GLY 115 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 1yqg h GLY 115 CO 0.00 0.00 0.58 0.50 0.00 0.00 0.00 176.54 177.62 1yqg h LYS 116 N 0.00 0.00 0.00 4.80 1.57 -1.53 -1.34 116.57 120.06 1yqg h LYS 116 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yqg h LYS 116 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1yqg h LYS 116 CO 0.01 0.00 -0.11 0.44 -0.57 0.00 0.00 179.45 179.23 1yqg n ILE 117 N -3.71 1.74 -1.01 1.86 -5.35 -0.53 -4.98 119.36 107.38 1yqg n ILE 117 Ca 0.11 -2.16 -0.00 0.00 -0.27 0.00 0.00 62.75 60.43 1yqg n ILE 117 Cb 0.79 -0.16 -0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1yqg n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yqg n GLY 118 N -1.26 0.46 1.55 3.28 0.00 -0.51 -4.90 105.19 103.81 1yqg n GLY 118 Ca 0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1yqg n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yqg n LEU 119 N -0.03 4.01 -4.85 0.99 4.77 -0.59 -4.14 117.00 117.15 1yqg n LEU 119 Ca -0.00 -4.37 -0.30 0.00 -0.03 0.00 0.00 56.01 51.31 1yqg n LEU 119 Cb 0.02 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1yqg n LEU 119 CO 0.00 1.81 0.74 -0.83 -1.33 0.00 0.00 177.39 177.79 1yqg s GLY 120 N -3.46 1.61 -0.12 -0.72 0.00 0.10 -4.39 107.32 100.35 1yqg s GLY 120 Ca 0.46 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1yqg s GLY 120 CO -0.00 0.05 -0.15 0.14 0.00 0.00 0.00 173.10 173.14 1yqg s VAL 121 N -3.33 1.51 -0.19 1.40 1.01 -1.26 -1.19 120.40 118.36 1yqg s VAL 121 Ca 0.60 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1yqg s VAL 121 Cb -0.13 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1yqg s VAL 121 CO 0.52 0.44 -0.16 -0.44 0.00 0.00 0.00 175.10 175.46 1yqg s SER 122 N 1.10 3.25 1.07 3.32 0.01 -0.17 -2.79 113.70 119.49 1yqg s SER 122 Ca -0.04 -0.75 -0.06 0.00 1.31 0.00 0.00 55.95 56.41 1yqg s SER 122 Cb -0.14 -1.39 0.09 0.00 0.21 0.00 0.00 66.02 64.79 1yqg s SER 122 CO -0.04 -0.06 0.35 0.61 0.41 0.00 0.00 173.24 174.52 1yqg n GLY 123 N 4.64 -2.43 0.00 3.44 0.00 -1.26 -0.88 105.19 108.70 1yqg n GLY 123 Ca -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1yqg n GLY 123 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yqg n TYR 125 N -3.18 0.00 -4.06 1.61 9.36 -0.22 -4.22 117.16 116.45 1yqg n TYR 125 Ca 0.05 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.14 1yqg n TYR 125 Cb 0.18 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.77 1yqg n TYR 125 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1yqg s ALA 126 N -0.39 0.44 0.78 2.98 0.00 -1.26 -0.48 121.76 123.83 1yqg s ALA 126 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1yqg s ALA 126 Cb 0.00 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1yqg s ALA 126 CO 0.00 -0.01 1.16 -1.21 0.00 0.00 0.00 175.76 175.71 1yqg s GLU 127 N -1.12 1.93 0.49 0.00 0.41 -1.26 -4.88 118.70 114.27 1yqg s GLU 127 Ca -0.07 1.58 0.27 0.00 -0.41 0.00 0.00 54.97 56.34 1yqg s GLU 127 Cb -0.07 -1.83 1.35 0.00 -1.78 0.00 0.00 34.13 31.79 1yqg s GLU 127 CO 0.00 -1.96 1.87 0.00 -0.49 0.00 0.00 175.26 174.69 1yqg h ALA 128 N -0.79 2.63 0.00 5.21 0.00 -2.00 -0.59 119.26 123.72 1yqg h ALA 128 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yqg h ALA 128 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yqg h ALA 128 CO 0.48 -0.90 0.00 -0.85 0.00 0.00 0.00 179.25 177.98 1yqg n GLU 129 N -4.36 0.07 -3.18 0.00 0.28 -1.26 -4.64 120.64 107.55 1yqg n GLU 129 Ca 0.19 0.42 -0.39 0.00 -0.16 0.00 0.00 57.16 57.22 1yqg n GLU 129 Cb 0.88 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 1yqg n GLU 129 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1yqg s VAL 130 N -3.17 5.08 0.83 3.84 1.01 -0.23 -5.03 120.40 122.73 1yqg s VAL 130 Ca 0.03 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 1yqg s VAL 130 Cb 0.07 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.63 1yqg s VAL 130 CO 0.22 0.19 1.11 -0.94 0.00 0.00 0.00 175.10 175.68 1yqg s SER 131 N 1.00 3.93 0.28 3.32 1.04 -1.26 -4.78 113.70 117.22 1yqg s SER 131 Ca 0.28 1.92 0.01 0.00 0.48 0.00 0.00 55.95 58.65 1yqg s SER 131 Cb -0.16 -2.52 0.40 0.00 0.10 0.00 0.00 66.02 63.84 1yqg s SER 131 CO 0.11 -2.42 1.75 -0.33 0.98 0.00 0.00 173.24 173.34 1yqg h GLU 132 N -1.39 0.62 -0.46 4.02 4.39 -1.95 -1.22 114.58 118.58 1yqg h GLU 132 Ca -0.44 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.00 1yqg h GLU 132 Cb 1.25 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1yqg h GLU 132 CO 0.48 0.72 0.03 1.79 -1.16 0.00 0.00 179.01 180.88 1yqg h THR 133 N 0.57 1.26 -0.81 1.13 1.35 -1.99 -0.98 112.91 113.43 1yqg h THR 133 Ca 0.10 -1.00 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1yqg h THR 133 Cb 0.54 1.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 1yqg h THR 133 CO 0.03 0.35 0.49 0.44 -0.25 0.00 0.00 175.52 176.58 1yqg h ASP 134 N 0.65 0.97 -0.70 5.36 3.32 -1.87 -0.67 116.42 123.48 1yqg h ASP 134 Ca 0.13 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1yqg h ASP 134 Cb 0.46 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1yqg h ASP 134 CO 0.02 0.75 0.41 0.03 -1.72 0.00 0.00 179.24 178.73 1yqg h ARG 135 N 1.11 0.75 -0.61 3.56 3.08 -0.92 -1.89 114.38 119.47 1yqg h ARG 135 Ca 0.29 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 1yqg h ARG 135 Cb -0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1yqg h ARG 135 CO -0.06 0.50 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.24 1yqg h ARG 136 N 0.77 1.08 -0.18 0.04 2.43 -0.80 0.42 114.38 118.14 1yqg h ARG 136 Ca 0.30 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1yqg h ARG 136 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1yqg h ARG 136 CO -0.15 1.06 0.09 0.82 -1.51 0.00 0.00 179.97 180.28 1yqg h ILE 137 N 0.98 1.12 -0.55 1.20 2.04 -0.86 0.17 117.51 121.60 1yqg h ILE 137 Ca 0.17 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1yqg h ILE 137 Cb 0.58 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1yqg h ILE 137 CO 0.03 0.11 0.11 0.00 0.00 0.00 0.00 178.15 178.40 1yqg h ALA 138 N 0.97 0.73 -0.51 1.87 0.00 -1.18 -2.43 119.26 118.71 1yqg h ALA 138 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1yqg h ALA 138 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1yqg h ALA 138 CO -0.01 0.47 0.28 0.22 0.00 0.00 0.00 179.25 180.21 1yqg h ASP 139 N 0.80 0.43 -0.75 0.00 3.58 0.16 -2.70 116.42 117.94 1yqg h ASP 139 Ca 0.17 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1yqg h ASP 139 Cb 0.39 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1yqg h ASP 139 CO 0.01 0.30 0.29 0.03 -2.88 0.00 0.00 179.24 176.99 1yqg h ARG 140 N 0.56 1.13 0.00 0.28 2.47 -0.77 0.34 114.38 118.38 1yqg h ARG 140 Ca 0.22 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1yqg h ARG 140 Cb 0.08 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1yqg h ARG 140 CO -0.13 0.93 0.00 -0.89 0.56 0.00 0.00 179.97 180.44 1yqg n ILE 141 N -4.31 0.00 0.00 2.04 5.41 -0.93 -2.69 119.36 118.87 1yqg n ILE 141 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1yqg n ILE 141 Cb 0.19 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 1yqg n ILE 141 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1yqg n LYS 143 N 0.29 0.00 0.25 0.38 5.02 0.11 -4.37 118.16 119.84 1yqg n LYS 143 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1yqg n LYS 143 Cb 0.00 0.00 0.86 0.00 -0.02 0.00 0.00 35.03 35.87 1yqg n LYS 143 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1yqg h SER 144 N 0.00 0.00 -0.01 4.39 4.64 -1.78 -2.88 113.55 117.91 1yqg h SER 144 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yqg h SER 144 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yqg h SER 144 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1yqg n VAL 145 N -2.72 0.18 0.00 0.95 0.24 -1.26 -4.59 118.33 111.13 1yqg n VAL 145 Ca -0.01 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1yqg n VAL 145 Cb 0.11 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1yqg n VAL 145 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yqg n GLY 146 N 0.03 -0.06 3.78 7.63 0.00 -1.09 0.02 105.19 115.50 1yqg n GLY 146 Ca 0.01 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 1yqg n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yqg s LEU 147 N 0.00 4.43 0.02 0.99 2.96 -0.33 -4.10 118.68 122.65 1yqg s LEU 147 Ca 0.00 1.71 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1yqg s LEU 147 Cb 0.00 -3.72 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1yqg s LEU 147 CO 0.00 0.04 -0.06 0.42 -1.32 0.00 0.00 176.35 175.44 1yqg s THR 148 N -1.44 3.72 -0.29 3.68 -4.23 -1.26 -0.99 115.64 114.83 1yqg s THR 148 Ca 0.44 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1yqg s THR 148 Cb -0.20 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.08 1yqg s THR 148 CO 0.25 0.35 0.08 0.54 -0.54 0.00 0.00 174.62 175.29 1yqg s VAL 149 N -1.05 0.91 0.28 2.29 0.11 -0.06 -4.94 120.40 117.95 1yqg s VAL 149 Ca 0.18 -1.30 -0.29 0.00 -2.93 0.00 0.00 61.98 57.65 1yqg s VAL 149 Cb -0.11 -1.62 -0.09 0.00 -1.53 0.00 0.00 36.38 33.03 1yqg s VAL 149 CO 0.09 -0.57 1.04 0.26 -3.33 0.00 0.00 175.10 172.59 1yqg s TRP 150 N 1.61 3.68 0.03 1.54 0.52 -1.26 -4.31 118.94 120.75 1yqg s TRP 150 Ca 0.07 1.76 0.08 0.00 0.02 0.00 0.00 56.10 58.03 1yqg s TRP 150 Cb -0.17 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 28.95 1yqg s TRP 150 CO -0.21 -0.22 -0.22 -0.51 0.02 0.00 0.00 176.95 175.81 1yqg s LEU 151 N -1.50 2.37 0.18 2.99 1.43 -1.26 -5.04 118.68 117.85 1yqg s LEU 151 Ca 0.45 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1yqg s LEU 151 Cb -0.29 -1.41 -0.10 0.00 0.03 0.00 0.00 46.19 44.43 1yqg s LEU 151 CO 0.36 0.27 1.32 0.44 0.23 0.00 0.00 176.35 178.98 1yqg h ASP 152 N 4.84 0.00 -3.27 2.29 3.32 -1.97 -3.43 116.42 118.21 1yqg h ASP 152 Ca -0.46 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.03 1yqg h ASP 152 Cb 1.14 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.34 1yqg h ASP 152 CO 0.46 0.79 -0.82 -0.62 -1.72 0.00 0.00 179.24 177.33 1yqg s ASP 153 N -6.57 2.21 0.40 6.45 -1.08 -1.26 -5.02 116.67 111.80 1yqg s ASP 153 Ca 0.02 -0.36 0.14 0.00 -0.52 0.00 0.00 52.55 51.82 1yqg s ASP 153 Cb 0.09 -0.96 0.98 0.00 -1.46 0.00 0.00 42.92 41.57 1yqg s ASP 153 CO 0.79 -0.02 1.90 -0.08 0.52 0.00 0.00 175.17 178.27 1yqg h GLU 154 N 7.57 0.49 -0.93 4.34 4.81 -1.97 -0.69 114.58 128.21 1yqg h GLU 154 Ca -0.31 -0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.15 1yqg h GLU 154 Cb 1.16 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1yqg h GLU 154 CO 0.47 0.33 0.66 0.93 -0.73 0.00 0.00 179.01 180.66 1yqg h GLU 155 N 0.51 0.08 -3.63 1.92 4.39 -2.00 -3.39 114.58 112.45 1yqg h GLU 155 Ca 0.40 -0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.72 1yqg h GLU 155 Cb 0.82 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1yqg h GLU 155 CO -0.15 0.05 2.40 1.63 -1.16 0.00 0.00 179.01 181.78 1yqg n LYS 156 N -4.32 1.79 0.00 2.33 5.02 -0.27 -3.98 118.16 118.73 1yqg n LYS 156 Ca 0.20 -1.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1yqg n LYS 156 Cb 0.94 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1yqg n LYS 156 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1yqg n HIS 158 N 4.71 0.00 -0.08 2.13 8.25 -1.26 -1.24 115.22 127.73 1yqg n HIS 158 Ca 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.78 1yqg n HIS 158 Cb 0.15 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1yqg n HIS 158 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1yqg h GLY 159 N 0.00 0.39 0.35 -1.41 0.00 -1.95 -0.46 103.07 100.00 1yqg h GLY 159 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.25 1yqg h GLY 159 CO 0.00 0.12 -0.18 -2.22 0.00 0.00 0.00 176.54 174.26 1yqg h ILE 160 N 0.35 0.52 -0.48 2.60 1.08 -1.53 -0.89 117.51 119.17 1yqg h ILE 160 Ca 0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.67 1yqg h ILE 160 Cb -0.02 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.17 1yqg h ILE 160 CO -0.04 0.00 -0.02 0.74 -0.69 0.00 0.00 178.15 178.14 1yqg h THR 161 N -0.21 0.61 0.00 -0.27 2.02 -1.79 0.17 112.91 113.44 1yqg h THR 161 Ca 0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1yqg h THR 161 Cb 0.38 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1yqg h THR 161 CO -0.29 0.02 -0.20 1.23 0.37 0.00 0.00 175.52 176.65 1yqg h GLY 162 N 0.09 0.00 0.00 2.16 0.00 -0.37 0.26 103.07 105.22 1yqg h GLY 162 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1yqg h GLY 162 CO -0.41 0.00 0.00 1.39 0.00 0.00 0.00 176.54 177.52 1yqg n ILE 163 N -4.05 0.00 0.05 2.60 2.08 -0.40 -4.50 119.36 115.14 1yqg n ILE 163 Ca -0.02 0.48 0.06 0.00 0.56 0.00 0.00 62.75 63.84 1yqg n ILE 163 Cb 0.27 -1.48 -0.07 0.00 -0.75 0.00 0.00 39.64 37.62 1yqg n ILE 163 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1yqg n SER 164 N -2.40 0.65 0.06 4.38 3.41 0.47 -2.23 113.62 117.97 1yqg n SER 164 Ca 0.00 0.27 -0.07 0.00 -0.26 0.00 0.00 58.87 58.81 1yqg n SER 164 Cb 0.00 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 1yqg n SER 164 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1yqg h GLY 165 N 3.91 -0.27 2.00 5.00 0.00 -1.12 -3.30 103.07 109.29 1yqg h GLY 165 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1yqg h GLY 165 CO 0.02 -0.10 -0.00 1.44 0.00 0.00 0.00 176.54 177.90 1yqg n SER 166 N -4.94 0.76 -0.32 0.19 7.64 0.92 -4.41 113.62 113.47 1yqg n SER 166 Ca -0.05 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.47 1yqg n SER 166 Cb 0.19 -0.77 0.24 0.00 -1.01 0.00 0.00 64.21 62.85 1yqg n SER 166 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1yqg h GLY 167 N 4.56 1.50 0.48 0.23 0.00 -1.52 -2.27 103.07 106.04 1yqg h GLY 167 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.12 1yqg h GLY 167 CO 0.00 0.01 0.50 -2.55 0.00 0.00 0.00 176.54 174.51 1yqg h PRO 168 N 0.74 0.80 -0.78 4.80 0.11 -1.77 -1.18 132.00 134.72 1yqg h PRO 168 Ca 0.49 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.67 1yqg h PRO 168 Cb 0.64 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 31.48 1yqg h PRO 168 CO -0.33 0.53 0.37 0.00 -0.21 0.00 0.00 178.00 178.35 1yqg h ALA 169 N 1.49 1.11 -0.24 -0.75 0.00 -1.72 -0.55 119.26 118.59 1yqg h ALA 169 Ca 0.43 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1yqg h ALA 169 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yqg h ALA 169 CO -0.27 -0.10 0.15 1.88 0.00 0.00 0.00 179.25 180.91 1yqg h TYR 170 N 0.57 0.32 -0.54 0.00 0.05 -1.23 -1.17 116.97 114.98 1yqg h TYR 170 Ca 0.41 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1yqg h TYR 170 Cb 0.54 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1yqg h TYR 170 CO -0.12 0.25 0.34 0.28 -1.05 0.00 0.00 178.16 177.86 1yqg h VAL 171 N 0.30 1.15 -0.62 -2.88 2.07 -0.77 -0.01 116.25 115.50 1yqg h VAL 171 Ca 0.09 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1yqg h VAL 171 Cb 0.02 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1yqg h VAL 171 CO -0.02 0.15 0.29 -0.26 0.02 0.00 0.00 177.57 177.75 1yqg h PHE 172 N 0.73 0.51 -0.90 1.57 0.04 -0.99 0.13 116.94 118.04 1yqg h PHE 172 Ca 0.20 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.03 1yqg h PHE 172 Cb -0.05 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 37.91 1yqg h PHE 172 CO -0.03 0.20 0.58 -0.92 -0.60 0.00 0.00 178.31 177.54 1yqg h TYR 173 N 0.52 1.09 0.02 -0.55 5.03 -0.62 0.53 116.97 122.99 1yqg h TYR 173 Ca 0.30 0.03 -0.24 0.00 2.58 0.00 0.00 58.73 61.39 1yqg h TYR 173 Cb 0.29 -0.36 0.01 0.00 1.55 0.00 0.00 36.73 38.22 1yqg h TYR 173 CO -0.12 0.61 -1.01 -0.07 -1.32 0.00 0.00 178.16 176.25 1yqg h LEU 174 N 1.11 0.60 -0.56 2.82 3.38 -0.20 -0.57 115.31 121.90 1yqg h LEU 174 Ca 0.37 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1yqg h LEU 174 Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1yqg h LEU 174 CO -0.13 1.31 0.33 -0.07 0.09 0.00 0.00 178.44 179.97 1yqg h LEU 175 N 0.24 0.54 -0.47 1.67 3.38 -0.58 -0.98 115.31 119.11 1yqg h LEU 175 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1yqg h LEU 175 Cb 1.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1yqg h LEU 175 CO 0.18 0.38 0.05 -0.78 0.09 0.00 0.00 178.44 178.36 1yqg h ASP 176 N 0.66 0.77 -0.52 -0.43 3.58 -0.75 -1.55 116.42 118.19 1yqg h ASP 176 Ca 0.22 -0.27 0.08 0.00 0.42 0.00 0.00 57.03 57.48 1yqg h ASP 176 Cb 0.03 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 40.80 1yqg h ASP 176 CO -0.10 0.85 0.15 0.00 -2.88 0.00 0.00 179.24 177.26 1yqg h ALA 177 N 0.95 0.62 -0.19 -0.78 0.00 -0.67 0.24 119.26 119.43 1yqg h ALA 177 Ca 0.14 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1yqg h ALA 177 Cb 0.42 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yqg h ALA 177 CO 0.01 -0.26 -0.60 1.25 0.00 0.00 0.00 179.25 179.65 1yqg h LEU 178 N 0.30 0.72 -0.47 0.00 5.85 -1.06 -1.85 115.31 118.80 1yqg h LEU 178 Ca 0.26 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1yqg h LEU 178 Cb 0.33 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1yqg h LEU 178 CO -0.30 1.15 0.15 -0.61 -0.34 0.00 0.00 178.44 178.49 1yqg h GLN 179 N 0.48 0.73 -0.57 1.25 4.15 -0.92 -1.29 115.11 118.93 1yqg h GLN 179 Ca -0.00 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.20 1yqg h GLN 179 Cb 1.17 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 1yqg h GLN 179 CO 0.12 0.69 0.09 -0.91 -1.93 0.00 0.00 178.83 176.89 1yqg h ASN 180 N 0.62 0.87 -0.41 -0.69 -0.26 -0.43 -1.78 115.58 113.50 1yqg h ASN 180 Ca 0.15 -0.19 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 1yqg h ASN 180 Cb 0.27 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1yqg h ASN 180 CO -0.00 0.88 0.11 0.00 -1.06 0.00 0.00 177.43 177.35 1yqg h ALA 181 N 1.23 1.28 -0.45 -0.83 0.00 -1.14 -1.33 119.26 118.02 1yqg h ALA 181 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1yqg h ALA 181 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1yqg h ALA 181 CO 0.01 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1yqg h ALA 182 N 1.41 0.60 -0.41 0.00 0.00 -0.80 -1.95 119.26 118.10 1yqg h ALA 182 Ca 0.16 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yqg h ALA 182 Cb 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1yqg h ALA 182 CO -0.00 0.38 -0.01 0.82 0.00 0.00 0.00 179.25 180.44 1yqg h ILE 183 N 0.63 0.68 -0.19 0.00 1.08 -1.10 -1.08 117.51 117.53 1yqg h ILE 183 Ca 0.13 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 1yqg h ILE 183 Cb 0.47 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1yqg h ILE 183 CO 0.02 0.02 0.20 -0.09 -0.69 0.00 0.00 178.15 177.61 1yqg h ARG 184 N 0.09 0.00 -0.02 2.37 2.43 -0.96 -0.92 114.38 117.37 1yqg h ARG 184 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1yqg h ARG 184 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1yqg h ARG 184 CO -0.35 0.00 -0.02 1.04 -1.51 0.00 0.00 179.97 179.13 1yqg n GLN 185 N -3.85 1.72 0.00 0.20 1.13 -0.48 -4.92 117.38 111.18 1yqg n GLN 185 Ca 0.02 -1.10 0.00 0.00 -1.94 0.00 0.00 57.00 53.98 1yqg n GLN 185 Cb 0.32 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1yqg n GLN 185 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yqg n GLY 186 N 1.22 1.07 3.77 1.08 0.00 -0.35 -5.07 105.19 106.90 1yqg n GLY 186 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1yqg n GLY 186 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yqg s PHE 187 N -2.00 3.92 0.00 1.61 0.08 -0.79 -5.00 117.98 115.79 1yqg s PHE 187 Ca 0.00 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.72 1yqg s PHE 187 Cb 0.00 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1yqg s PHE 187 CO 0.00 0.50 0.00 -0.40 -0.10 0.00 0.00 175.22 175.22 1yqg n ASP 188 N 1.61 0.00 0.00 1.36 5.68 -1.26 -4.10 116.55 119.83 1yqg n ASP 188 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1yqg n ASP 188 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1yqg n ASP 188 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yqg n ALA 190 N -3.00 0.00 -0.13 2.12 0.00 -1.26 -0.65 120.51 117.58 1yqg n ALA 190 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1yqg n ALA 190 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yqg n ALA 190 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1yqg h GLU 191 N 0.00 0.58 -0.32 0.00 5.08 -1.99 -1.97 114.58 115.96 1yqg h GLU 191 Ca 0.00 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1yqg h GLU 191 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1yqg h GLU 191 CO 0.00 0.52 0.20 0.00 -1.00 0.00 0.00 179.01 178.72 1yqg h ALA 192 N 1.04 0.40 -0.21 3.43 0.00 -1.16 0.16 119.26 122.92 1yqg h ALA 192 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yqg h ALA 192 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yqg h ALA 192 CO -0.02 -0.16 0.12 -0.09 0.00 0.00 0.00 179.25 179.11 1yqg h ARG 193 N 0.40 0.28 -0.37 0.00 2.43 -1.78 -1.25 114.38 114.09 1yqg h ARG 193 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1yqg h ARG 193 Cb -0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1yqg h ARG 193 CO -0.05 0.25 0.19 0.00 -1.51 0.00 0.00 179.97 178.85 1yqg h ALA 194 N 1.02 0.47 -0.50 2.80 0.00 -1.12 -0.38 119.26 121.56 1yqg h ALA 194 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yqg h ALA 194 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1yqg h ALA 194 CO -0.01 0.02 0.30 -0.07 0.00 0.00 0.00 179.25 179.49 1yqg h LEU 195 N 0.46 0.49 -0.01 0.00 3.38 -0.60 -1.11 115.31 117.91 1yqg h LEU 195 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1yqg h LEU 195 Cb 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1yqg h LEU 195 CO -0.02 0.34 -0.01 -1.28 0.09 0.00 0.00 178.44 177.57 1yqg h SER 196 N 0.60 0.03 -0.18 -0.43 0.87 -0.95 -1.75 113.55 111.73 1yqg h SER 196 Ca 0.20 -0.41 0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1yqg h SER 196 Cb 0.02 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1yqg h SER 196 CO -0.09 0.43 -0.14 0.25 -0.53 0.00 0.00 176.83 176.74 1yqg h LEU 197 N -0.37 -0.46 -0.95 2.23 5.85 -1.07 -1.54 115.31 119.00 1yqg h LEU 197 Ca 0.00 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1yqg h LEU 197 Cb 0.42 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1yqg h LEU 197 CO 0.00 -0.18 -0.36 0.00 -0.34 0.00 0.00 178.44 177.56 1yqg h ALA 198 N 0.97 1.11 0.19 1.25 0.00 -1.17 0.67 119.26 122.28 1yqg h ALA 198 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1yqg h ALA 198 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yqg h ALA 198 CO -0.28 0.57 -0.09 1.15 0.00 0.00 0.00 179.25 180.60 1yqg h THR 199 N 0.27 0.86 -0.35 0.00 2.02 -1.11 -0.88 112.91 113.73 1yqg h THR 199 Ca 0.03 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1yqg h THR 199 Cb 0.76 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1yqg h THR 199 CO 0.06 0.06 0.23 -0.26 0.37 0.00 0.00 175.52 175.97 1yqg h PHE 200 N -0.37 0.44 -0.61 3.16 -1.00 -1.13 -1.46 116.94 115.96 1yqg h PHE 200 Ca -0.03 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 1yqg h PHE 200 Cb 0.29 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1yqg h PHE 200 CO -0.03 0.28 0.06 -0.22 -1.61 0.00 0.00 178.31 176.79 1yqg h LYS 201 N 0.46 1.04 -0.21 1.51 3.64 -0.86 -1.01 116.57 121.15 1yqg h LYS 201 Ca 0.13 -0.30 -0.20 0.00 -1.27 0.00 0.00 60.65 59.00 1yqg h LYS 201 Cb -0.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1yqg h LYS 201 CO -0.03 1.00 -0.67 0.78 -2.27 0.00 0.00 179.45 178.26 1yqg h GLY 202 N 0.95 0.87 0.90 5.01 0.00 -1.09 -0.81 103.07 108.90 1yqg h GLY 202 Ca 0.18 -1.13 -0.08 0.00 0.00 0.00 0.00 47.33 46.30 1yqg h GLY 202 CO 0.02 1.01 -0.15 0.00 0.00 0.00 0.00 176.54 177.42 1yqg h ALA 203 N 0.66 0.40 -0.39 3.60 0.00 -1.11 -1.04 119.26 121.38 1yqg h ALA 203 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1yqg h ALA 203 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1yqg h ALA 203 CO 0.14 0.30 0.23 0.28 0.00 0.00 0.00 179.25 180.20 1yqg h VAL 204 N 0.35 1.05 -0.97 0.00 2.07 -1.17 -0.98 116.25 116.60 1yqg h VAL 204 Ca 0.06 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1yqg h VAL 204 Cb 0.67 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1yqg h VAL 204 CO 0.04 0.09 0.63 0.00 0.02 0.00 0.00 177.57 178.35 1yqg h ALA 205 N 1.17 1.31 -0.62 1.67 0.00 -0.93 -1.16 119.26 120.69 1yqg h ALA 205 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1yqg h ALA 205 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1yqg h ALA 205 CO -0.06 0.47 0.27 -0.07 0.00 0.00 0.00 179.25 179.86 1yqg h LEU 206 N 1.18 0.83 -0.50 0.00 3.38 -0.66 0.49 115.31 120.04 1yqg h LEU 206 Ca 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1yqg h LEU 206 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1yqg h LEU 206 CO -0.14 0.75 0.17 0.00 0.09 0.00 0.00 178.44 179.31 1yqg h ALA 207 N 1.11 0.65 0.02 1.53 0.00 -0.85 -0.00 119.26 121.72 1yqg h ALA 207 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yqg h ALA 207 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yqg h ALA 207 CO -0.02 0.29 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 1yqg h GLU 208 N 0.67 -0.02 -0.20 0.00 4.81 -1.03 -0.23 114.58 118.58 1yqg h GLU 208 Ca 0.16 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1yqg h GLU 208 Cb 0.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1yqg h GLU 208 CO -0.01 0.09 -0.56 1.96 -0.73 0.00 0.00 179.01 179.76 1yqg h GLN 209 N -0.13 0.62 0.02 1.92 4.20 -0.79 -3.05 115.11 117.90 1yqg h GLN 209 Ca -0.00 -0.39 -0.21 0.00 0.06 0.00 0.00 58.65 58.11 1yqg h GLN 209 Cb 0.12 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1yqg h GLN 209 CO 0.00 1.01 -0.93 1.79 -0.67 0.00 0.00 178.83 180.03 1yqg h THR 210 N 0.47 1.52 0.00 -0.54 1.35 -1.02 -3.47 112.91 111.22 1yqg h THR 210 Ca 0.01 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1yqg h THR 210 Cb 1.12 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1yqg h THR 210 CO 0.11 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1yqg n GLY 211 N 1.00 0.06 3.77 5.82 0.00 -0.10 -4.99 105.19 110.74 1yqg n GLY 211 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1yqg n GLY 211 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yqg s GLU 212 N -1.69 2.74 0.25 1.61 2.02 -1.26 -4.96 118.70 117.42 1yqg s GLU 212 Ca 0.00 1.37 -0.31 0.00 0.02 0.00 0.00 54.97 56.05 1yqg s GLU 212 Cb 0.00 -1.94 -0.12 0.00 0.10 0.00 0.00 34.13 32.17 1yqg s GLU 212 CO 0.00 -1.29 1.62 -0.25 0.02 0.00 0.00 175.26 175.36 1yqg n ASP 213 N -2.53 3.77 -0.18 -0.19 8.00 -1.26 -4.84 116.55 119.33 1yqg n ASP 213 Ca 0.10 1.12 -0.02 0.00 0.71 0.00 0.00 54.79 56.70 1yqg n ASP 213 Cb 0.52 -1.56 0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1yqg n ASP 213 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1yqg h PHE 214 N 5.44 0.27 -0.84 1.24 0.04 -1.98 -0.83 116.94 120.29 1yqg h PHE 214 Ca -0.45 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.33 1yqg h PHE 214 Cb 1.22 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1yqg h PHE 214 CO 0.60 0.05 0.48 1.49 -0.60 0.00 0.00 178.31 180.33 1yqg h GLU 215 N 0.32 1.15 -0.66 1.51 4.81 -1.99 -1.33 114.58 118.39 1yqg h GLU 215 Ca 0.27 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1yqg h GLU 215 Cb 0.34 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1yqg h GLU 215 CO -0.30 0.83 0.27 0.87 -0.73 0.00 0.00 179.01 179.94 1yqg h LYS 216 N 1.17 0.98 -0.70 1.92 1.57 -1.70 0.14 116.57 119.96 1yqg h LYS 216 Ca 0.30 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1yqg h LYS 216 Cb -0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 1yqg h LYS 216 CO -0.05 0.82 0.45 -0.07 -0.57 0.00 0.00 179.45 180.03 1yqg h LEU 217 N 0.93 0.77 0.20 2.94 3.38 -0.73 0.14 115.31 122.94 1yqg h LEU 217 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1yqg h LEU 217 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1yqg h LEU 217 CO -0.02 0.55 -0.10 -0.61 0.09 0.00 0.00 178.44 178.36 1yqg h GLN 218 N 0.92 -0.26 -0.94 1.13 4.15 -1.00 -3.12 115.11 115.98 1yqg h GLN 218 Ca 0.27 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.73 1yqg h GLN 218 Cb -0.06 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 1yqg h GLN 218 CO -0.07 0.03 0.62 0.87 -1.93 0.00 0.00 178.83 178.34 1yqg h LYS 219 N -0.54 1.19 -0.11 1.69 1.57 -0.54 -2.48 116.57 117.34 1yqg h LYS 219 Ca -0.03 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1yqg h LYS 219 Cb 0.40 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yqg h LYS 219 CO 0.04 0.78 0.12 -0.91 -0.57 0.00 0.00 179.45 178.92 1yqg h ASN 220 N 1.22 0.00 -0.17 0.86 2.35 -0.66 -2.59 115.58 116.59 1yqg h ASN 220 Ca 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1yqg h ASN 220 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1yqg h ASN 220 CO -0.10 0.00 -0.02 1.33 -1.65 0.00 0.00 177.43 176.99 1yqg n VAL 221 N -3.84 2.17 -3.92 2.81 0.24 -0.95 -4.88 118.33 109.96 1yqg n VAL 221 Ca -0.00 -2.12 -0.30 0.00 -2.04 0.00 0.00 64.34 59.88 1yqg n VAL 221 Cb 0.23 -0.26 -0.14 0.00 -1.47 0.00 0.00 33.84 32.21 1yqg n VAL 221 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1yqg s THR 222 N -2.89 2.46 0.30 3.34 2.01 -0.98 -4.88 115.64 115.00 1yqg s THR 222 Ca 0.39 -3.25 -0.25 0.00 0.31 0.00 0.00 61.69 58.88 1yqg s THR 222 Cb 0.33 -2.71 -0.10 0.00 0.01 0.00 0.00 72.50 70.03 1yqg s THR 222 CO 0.06 -0.81 0.91 -0.94 -0.69 0.00 0.00 174.62 173.14 1yqg s SER 223 N -0.24 7.31 0.29 3.53 1.04 -1.26 -4.87 113.70 119.49 1yqg s SER 223 Ca 0.17 1.77 -0.30 0.00 0.48 0.00 0.00 55.95 58.07 1yqg s SER 223 Cb -0.26 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.19 1yqg s SER 223 CO -0.00 -0.04 1.55 2.29 0.98 0.00 0.00 173.24 178.02 1yqg n LYS 224 N 0.64 2.55 -1.21 4.02 -0.00 -1.26 -1.38 118.16 121.52 1yqg n LYS 224 Ca 0.01 0.91 -0.07 0.00 -0.00 0.00 0.00 58.31 59.15 1yqg n LYS 224 Cb 0.50 -2.66 -0.03 0.00 -0.00 0.00 0.00 35.03 32.84 1yqg n LYS 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yqg n GLY 225 N 2.03 0.84 4.01 2.58 0.00 -1.26 -5.00 105.19 108.40 1yqg n GLY 225 Ca 0.09 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1yqg n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yqg s GLY 226 N -2.45 1.73 0.05 -0.02 0.00 -0.48 -5.02 107.32 101.14 1yqg s GLY 226 Ca 0.00 -1.98 -0.18 0.00 0.00 0.00 0.00 44.72 42.57 1yqg s GLY 226 CO 0.00 -1.39 1.28 -0.91 0.00 0.00 0.00 173.10 172.09 1yqg h THR 227 N -0.40 1.35 -0.57 0.90 1.35 -1.94 -3.16 112.91 110.44 1yqg h THR 227 Ca -0.33 -1.68 0.01 0.00 -0.55 0.00 0.00 66.41 63.87 1yqg h THR 227 Cb 1.27 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 1yqg h THR 227 CO 0.38 0.51 0.37 0.74 -0.25 0.00 0.00 175.52 177.27 1yqg h THR 228 N 0.16 1.13 -0.83 6.82 2.02 -1.90 -2.13 112.91 118.18 1yqg h THR 228 Ca -0.01 -0.26 0.12 0.00 0.77 0.00 0.00 66.41 67.03 1yqg h THR 228 Cb 1.02 0.30 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1yqg h THR 228 CO 0.09 0.14 0.45 -0.74 0.37 0.00 0.00 175.52 175.82 1yqg h HIS 229 N 0.76 0.80 -0.87 3.16 6.17 -1.76 -0.31 115.15 123.09 1yqg h HIS 229 Ca 0.21 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.33 1yqg h HIS 229 Cb -0.07 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.59 1yqg h HIS 229 CO -0.04 0.26 0.56 0.93 0.71 0.00 0.00 177.93 180.34 1yqg h GLU 230 N 0.70 1.16 -0.13 5.26 4.39 -1.35 0.06 114.58 124.66 1yqg h GLU 230 Ca 0.43 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.93 1yqg h GLU 230 Cb 0.51 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1yqg h GLU 230 CO -0.31 0.79 -0.35 0.00 -1.16 0.00 0.00 179.01 177.98 1yqg h ALA 231 N 1.42 0.22 -0.34 3.43 0.00 -1.26 -2.82 119.26 119.91 1yqg h ALA 231 Ca 0.32 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1yqg h ALA 231 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yqg h ALA 231 CO -0.06 0.29 -0.25 0.28 0.00 0.00 0.00 179.25 179.51 1yqg h VAL 232 N 0.08 1.27 -0.59 0.00 2.07 -0.76 -1.35 116.25 116.98 1yqg h VAL 232 Ca -0.01 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1yqg h VAL 232 Cb 0.97 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 1yqg h VAL 232 CO 0.08 0.44 0.29 -0.33 0.02 0.00 0.00 177.57 178.07 1yqg h GLU 233 N 0.59 0.52 -0.04 1.57 4.39 -1.05 -0.01 114.58 120.56 1yqg h GLU 233 Ca 0.08 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1yqg h GLU 233 Cb 0.74 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1yqg h GLU 233 CO 0.06 0.35 -0.09 0.00 -1.16 0.00 0.00 179.01 178.16 1yqg h ALA 234 N 1.33 -0.07 -0.59 3.43 0.00 -1.19 0.22 119.26 122.39 1yqg h ALA 234 Ca 0.27 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1yqg h ALA 234 Cb 0.21 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1yqg h ALA 234 CO -0.20 -0.57 -0.02 0.74 0.00 0.00 0.00 179.25 179.20 1yqg h PHE 235 N -0.14 -0.07 -0.36 0.00 0.04 -0.99 0.02 116.94 115.44 1yqg h PHE 235 Ca 0.05 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1yqg h PHE 235 Cb 0.21 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1yqg h PHE 235 CO -0.18 -0.17 -0.03 0.00 -0.60 0.00 0.00 178.31 177.33 1yqg h ARG 236 N 0.10 0.67 -0.75 1.51 3.08 -0.60 -1.32 114.38 117.07 1yqg h ARG 236 Ca 0.30 -0.23 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1yqg h ARG 236 Cb 0.48 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1yqg h ARG 236 CO -0.52 0.79 0.46 -0.09 -1.07 0.00 0.00 179.97 179.54 1yqg h ARG 237 N 0.47 0.83 -0.08 0.04 2.43 -0.09 -0.93 114.38 117.05 1yqg h ARG 237 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1yqg h ARG 237 Cb 0.52 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1yqg h ARG 237 CO 0.03 0.55 0.00 0.72 -1.51 0.00 0.00 179.97 179.75 1yqg n HIS 238 N -4.68 0.11 -3.88 2.20 8.25 -0.05 -4.93 115.22 112.24 1yqg n HIS 238 Ca 0.10 -0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1yqg n HIS 238 Cb 0.14 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.26 1yqg n HIS 238 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1yqg n ARG 239 N -0.29 -4.33 0.22 -0.41 1.74 -0.35 -4.88 116.66 108.36 1yqg n ARG 239 Ca 0.12 0.52 -0.15 0.00 -0.77 0.00 0.00 57.85 57.56 1yqg n ARG 239 Cb 0.15 -5.02 -0.08 0.00 -1.02 0.00 0.00 32.46 26.49 1yqg n ARG 239 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1yqg h VAL 240 N -1.87 0.64 -0.82 1.55 2.07 -1.53 -0.20 116.25 116.08 1yqg h VAL 240 Ca -0.61 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1yqg h VAL 240 Cb 1.37 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1yqg h VAL 240 CO 0.63 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.75 1yqg h ALA 241 N 0.13 1.69 -0.31 1.67 0.00 -1.91 -1.54 119.26 118.99 1yqg h ALA 241 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1yqg h ALA 241 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yqg h ALA 241 CO 0.08 0.15 -0.32 0.93 0.00 0.00 0.00 179.25 180.10 1yqg h GLU 242 N 0.81 0.77 -0.82 0.00 3.07 -1.84 -2.57 114.58 113.99 1yqg h GLU 242 Ca 0.37 -0.41 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1yqg h GLU 242 Cb 0.37 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1yqg h GLU 242 CO -0.14 1.04 0.54 0.00 -1.40 0.00 0.00 179.01 179.04 1yqg h ALA 243 N 0.72 1.51 0.02 3.43 0.00 -0.35 0.50 119.26 125.09 1yqg h ALA 243 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yqg h ALA 243 Cb 0.90 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1yqg h ALA 243 CO 0.08 0.40 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 1yqg h ILE 244 N 1.00 1.01 -0.80 0.00 2.04 -0.99 0.57 117.51 120.33 1yqg h ILE 244 Ca 0.33 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1yqg h ILE 244 Cb 0.06 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1yqg h ILE 244 CO -0.10 0.03 0.41 -1.28 0.00 0.00 0.00 178.15 177.21 1yqg h SER 245 N -0.08 1.02 -0.50 1.72 0.87 -1.04 -0.81 113.55 114.73 1yqg h SER 245 Ca -0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1yqg h SER 245 Cb 0.07 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1yqg h SER 245 CO 0.01 0.84 0.30 -0.33 -0.53 0.00 0.00 176.83 177.12 1yqg h GLU 246 N 1.13 0.68 -0.46 2.24 5.08 -0.41 0.55 114.58 123.39 1yqg h GLU 246 Ca 0.28 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1yqg h GLU 246 Cb 0.07 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1yqg h GLU 246 CO -0.04 0.49 0.28 0.78 -1.00 0.00 0.00 179.01 179.52 1yqg h GLY 247 N 0.67 0.64 0.45 -3.84 0.00 -0.57 -0.48 103.07 99.94 1yqg h GLY 247 Ca 0.18 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1yqg h GLY 247 CO -0.03 0.18 -0.17 -2.08 0.00 0.00 0.00 176.54 174.43 1yqg h VAL 248 N 0.55 0.55 -0.83 4.60 2.07 -0.86 0.70 116.25 123.03 1yqg h VAL 248 Ca 0.18 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.84 1yqg h VAL 248 Cb 0.00 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1yqg h VAL 248 CO -0.08 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.94 1yqg h ALA 250 N 1.54 0.86 -0.16 0.00 0.00 -0.56 -0.12 119.26 120.82 1yqg h ALA 250 Ca 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yqg h ALA 250 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yqg h ALA 250 CO -0.35 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.62 1yqg h VAL 252 N 0.15 1.26 -0.38 0.00 2.07 -0.73 -0.14 116.25 118.48 1yqg h VAL 252 Ca 0.06 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1yqg h VAL 252 Cb 0.09 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1yqg h VAL 252 CO -0.01 0.34 0.20 0.03 0.02 0.00 0.00 177.57 178.16 1yqg h ARG 253 N 1.16 0.54 -0.36 1.57 3.08 -0.87 -1.34 114.38 118.17 1yqg h ARG 253 Ca 0.26 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1yqg h ARG 253 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1yqg h ARG 253 CO -0.02 0.46 0.11 -0.09 -1.07 0.00 0.00 179.97 179.36 1yqg h ARG 254 N 0.49 0.56 -0.49 0.04 9.65 -1.11 -0.77 114.38 122.74 1yqg h ARG 254 Ca 0.13 -0.12 0.09 0.00 -1.10 0.00 0.00 59.98 58.98 1yqg h ARG 254 Cb 0.08 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 28.51 1yqg h ARG 254 CO -0.02 0.58 0.05 1.03 2.80 0.00 0.00 179.97 184.41 1yqg h SER 255 N 0.43 -0.11 -0.51 -3.80 0.87 -0.79 -2.22 113.55 107.42 1yqg h SER 255 Ca 0.11 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1yqg h SER 255 Cb 0.26 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 1yqg h SER 255 CO -0.00 -0.03 0.27 1.56 -0.53 0.00 0.00 176.83 178.10 1yqg h GLN 256 N 0.17 0.51 -0.62 2.24 4.20 -1.06 -1.37 115.11 119.17 1yqg h GLN 256 Ca 0.25 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1yqg h GLN 256 Cb 0.36 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1yqg h GLN 256 CO -0.37 0.33 0.00 0.39 -0.67 0.00 0.00 178.83 178.52 1yqg n GLU 257 N -4.87 0.11 0.00 1.46 1.02 -0.31 -2.34 120.64 115.71 1yqg n GLU 257 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1yqg n GLU 257 Cb 0.13 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1yqg n GLU 257 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1yqg n GLU 259 N 0.59 0.00 0.25 3.49 2.13 -0.52 -3.05 120.64 123.53 1yqg n GLU 259 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1yqg n GLU 259 Cb 0.04 0.00 0.63 0.00 0.27 0.00 0.00 31.44 32.38 1yqg n GLU 259 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yqg h ARG 260 N 0.00 0.00 -0.59 5.31 3.08 -1.74 -2.56 114.38 117.88 1yqg h ARG 260 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1yqg h ARG 260 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1yqg h ARG 260 CO 0.00 0.13 0.41 1.96 -1.07 0.00 0.00 179.97 181.41 1yqg h GLN 261 N 0.00 0.13 0.00 0.04 1.08 -1.86 -2.98 115.11 111.53 1yqg h GLN 261 Ca -0.00 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1yqg h GLN 261 Cb 0.28 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1yqg h GLN 261 CO 0.02 0.09 -1.94 0.66 -0.95 0.00 0.00 178.83 176.71 1yqg n TYR 262 N -4.41 0.00 0.91 2.96 4.01 -0.99 -5.22 117.16 114.42 1yqg n TYR 262 Ca 0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 1yqg n TYR 262 Cb 0.57 -0.51 0.09 0.00 -0.31 0.00 0.00 39.34 39.18 1yqg n TYR 262 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44