#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqe n GLN -2 N 0.00 3.81 0.00 -1.08 10.64 -1.26 -4.77 117.38 124.72 1yqe n GLN -2 Ca 0.00 -0.23 0.00 0.00 -1.83 0.00 0.00 57.00 54.94 1yqe n GLN -2 Cb 0.00 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 1yqe n GLN -2 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1yqe n GLY -1 N 0.88 1.56 0.00 2.61 0.00 -1.26 -1.15 105.19 107.82 1yqe n GLY -1 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1yqe n GLY -1 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1yqe n HIS 0 N 4.16 0.00 -3.41 1.61 1.44 -1.26 -4.69 115.22 113.06 1yqe n HIS 0 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 1yqe n HIS 0 Cb 0.00 0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 1yqe n HIS 0 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1yqe s MET 1 N 0.00 3.61 0.03 -1.40 -1.94 -1.26 -4.75 119.30 113.59 1yqe s MET 1 Ca 0.00 -0.06 -0.04 0.00 -1.71 0.00 0.00 55.69 53.88 1yqe s MET 1 Cb 0.00 -2.69 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1yqe s MET 1 CO 0.00 0.26 0.25 0.15 -0.01 0.00 0.00 175.02 175.67 1yqe s LYS 2 N -3.48 3.53 -0.14 2.03 1.02 -1.26 -0.72 119.74 120.72 1yqe s LYS 2 Ca 0.43 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.25 1yqe s LYS 2 Cb -0.11 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1yqe s LYS 2 CO 0.29 0.63 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.96 1yqe s LEU 3 N -2.03 2.11 -0.19 3.17 2.96 -0.49 -1.33 118.68 122.89 1yqe s LEU 3 Ca 0.30 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 1yqe s LEU 3 Cb -0.13 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1yqe s LEU 3 CO 0.20 0.08 0.25 -0.69 -1.32 0.00 0.00 176.35 174.87 1yqe s VAL 4 N 0.80 5.32 -0.08 1.68 1.01 -0.38 -0.34 120.40 128.41 1yqe s VAL 4 Ca -0.07 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1yqe s VAL 4 Cb -0.16 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1yqe s VAL 4 CO -0.02 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.54 1yqe s VAL 5 N 0.66 2.25 0.17 2.92 1.01 -0.50 -0.47 120.40 126.43 1yqe s VAL 5 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1yqe s VAL 5 Cb -0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1yqe s VAL 5 CO 0.03 0.56 0.04 0.00 0.00 0.00 0.00 175.10 175.74 1yqe s SER 7 N -3.14 6.12 0.49 0.00 0.15 -1.26 -2.11 113.70 113.96 1yqe s SER 7 Ca 0.26 0.33 0.16 0.00 0.70 0.00 0.00 55.95 57.40 1yqe s SER 7 Cb 0.07 -1.99 1.20 0.00 -1.71 0.00 0.00 66.02 63.59 1yqe s SER 7 CO 0.05 0.32 2.09 -0.33 1.20 0.00 0.00 173.24 176.57 1yqe h GLU 8 N 5.63 0.13 -0.63 5.44 5.08 -1.22 -2.02 114.58 126.99 1yqe h GLU 8 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1yqe h GLU 8 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1yqe h GLU 8 CO 0.64 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.60 1yqe n SER 9 N -4.49 3.52 -4.39 1.42 3.41 -1.26 -4.85 113.62 106.98 1yqe n SER 9 Ca 0.02 -2.09 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 1yqe n SER 9 Cb 0.21 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 1yqe n SER 9 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yqe s ASP 10 N -0.96 5.86 0.18 4.04 -1.08 -0.76 -4.98 116.67 118.98 1yqe s ASP 10 Ca 0.42 -1.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.29 1yqe s ASP 10 Cb 0.23 -2.07 0.18 0.00 -1.46 0.00 0.00 42.92 39.80 1yqe s ASP 10 CO 0.27 -0.43 1.70 0.74 0.52 0.00 0.00 175.17 177.97 1yqe h THR 11 N 5.82 0.69 -0.08 1.71 2.02 -1.88 0.13 112.91 121.31 1yqe h THR 11 Ca -0.26 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1yqe h THR 11 Cb 1.11 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1yqe h THR 11 CO 0.70 0.03 0.04 0.00 0.37 0.00 0.00 175.52 176.67 1yqe h ALA 12 N 1.40 0.11 -0.92 6.16 0.00 -1.92 -1.29 119.26 122.80 1yqe h ALA 12 Ca 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1yqe h ALA 12 Cb 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1yqe h ALA 12 CO -0.35 -0.36 0.59 0.78 0.00 0.00 0.00 179.25 179.91 1yqe h GLY 13 N 0.04 1.37 0.98 0.00 0.00 -1.62 -1.45 103.07 102.38 1yqe h GLY 13 Ca 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1yqe h GLY 13 CO -0.00 0.33 0.04 1.46 0.00 0.00 0.00 176.54 178.37 1yqe h GLN 14 N 1.10 0.80 -0.33 4.80 1.08 -0.46 -0.42 115.11 121.67 1yqe h GLN 14 Ca 0.38 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 1yqe h GLN 14 Cb 0.10 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1yqe h GLN 14 CO -0.15 0.83 -0.19 -0.91 -0.95 0.00 0.00 178.83 177.46 1yqe h ASN 15 N 0.66 0.62 -0.41 1.46 2.35 -0.90 0.08 115.58 119.44 1yqe h ASN 15 Ca 0.14 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1yqe h ASN 15 Cb 0.45 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1yqe h ASN 15 CO 0.02 0.82 0.06 0.40 -1.65 0.00 0.00 177.43 177.07 1yqe h ILE 16 N 0.56 1.24 -0.12 2.81 2.04 -1.11 -2.58 117.51 120.34 1yqe h ILE 16 Ca 0.09 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1yqe h ILE 16 Cb 0.64 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1yqe h ILE 16 CO 0.05 0.30 -0.02 0.50 0.00 0.00 0.00 178.15 178.98 1yqe h LYS 17 N 0.53 0.02 -0.93 2.37 3.64 -0.59 -1.05 116.57 120.55 1yqe h LYS 17 Ca 0.12 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1yqe h LYS 17 Cb 0.38 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 1yqe h LYS 17 CO 0.01 0.01 0.60 -0.44 -2.27 0.00 0.00 179.45 177.35 1yqe h ASP 18 N 0.02 0.81 -0.23 4.20 3.32 -0.85 -0.66 116.42 123.03 1yqe h ASP 18 Ca 0.06 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1yqe h ASP 18 Cb 0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1yqe h ASP 18 CO -0.12 0.44 -0.63 0.78 -1.72 0.00 0.00 179.24 178.00 1yqe h ASN 19 N 0.87 0.95 -0.03 6.45 2.35 -1.03 -3.10 115.58 122.04 1yqe h ASN 19 Ca 0.45 -0.57 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1yqe h ASN 19 Cb 0.51 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1yqe h ASN 19 CO -0.21 1.36 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.80 1yqe h LEU 20 N 0.59 0.20 -1.75 1.61 4.07 -0.43 -2.49 115.31 117.11 1yqe h LEU 20 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1yqe h LEU 20 Cb 1.25 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1yqe h LEU 20 CO 0.14 0.29 0.00 -0.07 -1.08 0.00 0.00 178.44 177.72 1yqe h LEU 21 N 0.21 0.00 -0.23 1.67 3.38 -1.07 -2.48 115.31 116.80 1yqe h LEU 21 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yqe h LEU 21 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1yqe h LEU 21 CO 0.01 0.00 -0.47 0.35 0.09 0.00 0.00 178.44 178.42 1yqe n THR 22 N -2.92 0.00 0.94 0.22 -2.24 -0.94 -4.08 114.28 105.26 1yqe n THR 22 Ca -0.00 -0.06 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1yqe n THR 22 Cb 0.22 0.45 0.59 0.00 -2.10 0.00 0.00 70.33 69.48 1yqe n THR 22 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1yqe n PHE 23 N -1.12 0.13 -3.84 4.78 0.99 -0.93 -4.92 117.46 112.55 1yqe n PHE 23 Ca 0.08 0.04 -0.07 0.00 -0.00 0.00 0.00 57.45 57.50 1yqe n PHE 23 Cb 0.35 -0.56 -0.01 0.00 -1.00 0.00 0.00 39.48 38.25 1yqe n PHE 23 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yqe s ALA 24 N -3.01 -1.24 -0.72 4.37 0.00 -1.26 -5.10 121.76 114.80 1yqe s ALA 24 Ca 0.13 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1yqe s ALA 24 Cb 0.18 0.80 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1yqe s ALA 24 CO 0.53 -1.04 1.11 0.34 0.00 0.00 0.00 175.76 176.71 1yqe s ASP 25 N -2.95 6.20 0.21 0.00 3.68 -1.26 -4.93 116.67 117.63 1yqe s ASP 25 Ca 0.12 -0.86 0.01 0.00 2.13 0.00 0.00 52.55 53.95 1yqe s ASP 25 Cb -0.05 -2.48 -0.04 0.00 -1.45 0.00 0.00 42.92 38.90 1yqe s ASP 25 CO 0.07 -1.58 0.37 -0.36 0.13 0.00 0.00 175.17 173.80 1yqe s PHE 26 N 4.67 3.48 -0.13 -5.34 0.40 -1.26 -4.42 117.98 115.38 1yqe s PHE 26 Ca 0.28 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.82 1yqe s PHE 26 Cb -0.12 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.68 1yqe s PHE 26 CO 0.10 0.40 -0.01 -2.00 0.70 0.00 0.00 175.22 174.41 1yqe s GLU 27 N -3.51 0.93 0.30 0.44 2.12 -0.08 -4.91 118.70 113.99 1yqe s GLU 27 Ca 0.37 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 55.21 1yqe s GLU 27 Cb -0.11 -1.57 -0.09 0.00 0.26 0.00 0.00 34.13 32.62 1yqe s GLU 27 CO 0.30 -0.41 0.97 -2.00 -0.54 0.00 0.00 175.26 173.58 1yqe s GLU 28 N 1.83 4.65 -0.07 4.30 2.12 -1.26 -1.53 118.70 128.73 1yqe s GLU 28 Ca 0.03 1.45 -0.04 0.00 0.36 0.00 0.00 54.97 56.77 1yqe s GLU 28 Cb -0.14 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.30 1yqe s GLU 28 CO -0.07 0.32 0.17 0.15 -0.54 0.00 0.00 175.26 175.29 1yqe s LYS 29 N -1.73 0.13 -0.45 4.30 1.02 0.16 -4.99 119.74 118.19 1yqe s LYS 29 Ca 0.47 0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.74 1yqe s LYS 29 Cb -0.23 -0.11 0.10 0.00 -0.52 0.00 0.00 37.83 37.07 1yqe s LYS 29 CO 0.29 -0.14 0.31 -0.51 -0.92 0.00 0.00 175.35 174.38 1yqe s ASP 30 N 0.97 5.70 0.02 2.83 -0.00 -1.26 0.45 116.67 125.37 1yqe s ASP 30 Ca -0.07 -1.69 0.08 0.00 -0.00 0.00 0.00 52.55 50.87 1yqe s ASP 30 Cb -0.09 -2.01 -0.03 0.00 -0.00 0.00 0.00 42.92 40.79 1yqe s ASP 30 CO -0.05 -0.62 -0.24 0.68 -0.00 0.00 0.00 175.17 174.94 1yqe s VAL 31 N 1.41 2.27 0.00 -1.27 -7.23 -1.01 -5.00 120.40 109.56 1yqe s VAL 31 Ca 0.04 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1yqe s VAL 31 Cb -0.25 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1yqe s VAL 31 CO 0.01 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 1yqe n GLY 32 N 1.99 2.37 0.37 2.32 0.00 -1.26 -1.36 105.19 109.61 1yqe n GLY 32 Ca -0.17 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.68 1yqe n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yqe n GLU 33 N 14.00 1.49 -4.12 1.61 0.28 -1.26 -4.93 120.64 127.70 1yqe n GLU 33 Ca 0.00 -0.73 -0.23 0.00 -0.16 0.00 0.00 57.16 56.04 1yqe n GLU 33 Cb 0.00 -1.39 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 1yqe n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1yqe s PHE 34 N -1.89 2.67 -0.27 -1.84 0.40 -0.47 -4.47 117.98 112.11 1yqe s PHE 34 Ca 0.34 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1yqe s PHE 34 Cb 0.17 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 42.09 1yqe s PHE 34 CO 0.27 0.33 -0.07 0.15 0.70 0.00 0.00 175.22 176.60 1yqe s LYS 35 N -3.84 2.25 -0.09 0.44 1.02 -0.63 -2.42 119.74 116.48 1yqe s LYS 35 Ca 0.38 -1.36 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 1yqe s LYS 35 Cb -0.01 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1yqe s LYS 35 CO 0.22 -0.60 0.10 -0.51 -0.92 0.00 0.00 175.35 173.64 1yqe s LEU 36 N 1.13 4.09 -0.19 3.17 1.43 0.17 -0.64 118.68 127.84 1yqe s LEU 36 Ca -0.07 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1yqe s LEU 36 Cb -0.20 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1yqe s LEU 36 CO -0.04 0.37 -0.17 -0.31 0.23 0.00 0.00 176.35 176.43 1yqe s TYR 37 N -1.04 2.75 0.07 0.29 1.51 0.13 0.37 117.35 121.43 1yqe s TYR 37 Ca 0.17 -1.70 0.05 0.00 -1.01 0.00 0.00 57.07 54.58 1yqe s TYR 37 Cb -0.12 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1yqe s TYR 37 CO 0.06 -0.80 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.14 1yqe s LEU 38 N 1.29 3.26 0.33 -1.29 1.43 -0.58 -1.94 118.68 121.18 1yqe s LEU 38 Ca 0.02 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1yqe s LEU 38 Cb -0.14 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1yqe s LEU 38 CO -0.11 0.20 0.71 -0.94 0.23 0.00 0.00 176.35 176.44 1yqe s SER 39 N -2.06 -0.04 0.00 2.29 1.04 -1.24 -0.90 113.70 112.79 1yqe s SER 39 Ca 0.22 -0.94 0.23 0.00 0.48 0.00 0.00 55.95 55.93 1yqe s SER 39 Cb -0.11 0.77 0.79 0.00 0.10 0.00 0.00 66.02 67.57 1yqe s SER 39 CO 0.14 -1.48 1.58 -0.90 0.98 0.00 0.00 173.24 173.56 1yqe n ASP 40 N -0.95 1.73 -0.04 7.02 5.68 -1.26 -4.31 116.55 124.42 1yqe n ASP 40 Ca -0.05 -1.68 -0.04 0.00 -0.50 0.00 0.00 54.79 52.52 1yqe n ASP 40 Cb 0.60 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.48 1yqe n ASP 40 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1yqe n GLU 41 N 0.36 0.25 -4.03 0.11 4.07 -1.26 -5.09 120.64 115.04 1yqe n GLU 41 Ca 0.17 0.14 -0.11 0.00 -0.06 0.00 0.00 57.16 57.30 1yqe n GLU 41 Cb 0.35 -0.98 -0.04 0.00 -0.06 0.00 0.00 31.44 30.70 1yqe n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1yqe s PHE 42 N -1.87 0.66 0.25 4.31 -0.12 -1.26 -4.70 117.98 115.25 1yqe s PHE 42 Ca -0.13 -0.99 0.09 0.00 -0.05 0.00 0.00 56.93 55.85 1yqe s PHE 42 Cb 0.02 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1yqe s PHE 42 CO 0.19 -1.08 -0.01 0.71 -0.05 0.00 0.00 175.22 174.99 1yqe s TYR 43 N -3.51 2.72 -0.01 3.49 4.12 -0.44 -3.66 117.35 120.06 1yqe s TYR 43 Ca 0.26 -0.21 0.01 0.00 0.02 0.00 0.00 57.07 57.15 1yqe s TYR 43 Cb -0.00 -1.23 0.01 0.00 -1.52 0.00 0.00 41.96 39.21 1yqe s TYR 43 CO 0.14 0.60 -0.02 0.42 0.02 0.00 0.00 175.55 176.71 1yqe s ILE 44 N -2.19 0.20 -0.03 2.71 1.01 -0.82 -1.25 121.20 120.83 1yqe s ILE 44 Ca 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1yqe s ILE 44 Cb -0.07 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.19 1yqe s ILE 44 CO 0.19 0.09 -0.09 0.00 0.00 0.00 0.00 174.94 175.13 1yqe s ALA 45 N 0.30 0.89 -0.10 9.38 0.00 0.38 -0.70 121.76 131.92 1yqe s ALA 45 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1yqe s ALA 45 Cb -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1yqe s ALA 45 CO -0.01 0.12 -0.11 -2.00 0.00 0.00 0.00 175.76 173.76 1yqe s GLU 46 N 0.36 3.03 0.09 0.00 2.12 0.19 -1.68 118.70 122.81 1yqe s GLU 46 Ca -0.06 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.66 1yqe s GLU 46 Cb -0.10 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.68 1yqe s GLU 46 CO 0.01 0.42 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.97 1yqe s THR 47 N -0.19 0.93 -1.67 -1.70 -1.32 -0.90 -1.60 115.64 109.19 1yqe s THR 47 Ca 0.01 -1.52 0.27 0.00 -1.21 0.00 0.00 61.69 59.24 1yqe s THR 47 Cb -0.13 -1.22 0.30 0.00 -1.51 0.00 0.00 72.50 69.94 1yqe s THR 47 CO 0.03 -0.48 1.64 0.29 -2.21 0.00 0.00 174.62 173.89 1yqe n LYS 48 N 0.79 0.74 -2.68 7.08 5.02 -1.26 -0.71 118.16 127.13 1yqe n LYS 48 Ca -0.18 -0.39 -0.34 0.00 -2.02 0.00 0.00 58.31 55.39 1yqe n LYS 48 Cb 0.57 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 1yqe n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yqe s GLU 49 N -2.53 4.03 -0.04 1.97 2.02 -1.26 -4.82 118.70 118.07 1yqe s GLU 49 Ca 0.25 1.25 -0.30 0.00 0.02 0.00 0.00 54.97 56.18 1yqe s GLU 49 Cb 0.19 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 1yqe s GLU 49 CO 0.52 -0.22 1.21 0.50 0.02 0.00 0.00 175.26 177.29 1yqe s ARG 50 N -3.17 4.36 0.23 1.61 6.06 -1.26 -4.75 118.95 122.02 1yqe s ARG 50 Ca 0.64 1.69 -0.07 0.00 -2.50 0.00 0.00 55.73 55.49 1yqe s ARG 50 Cb -0.13 -3.54 0.36 0.00 0.06 0.00 0.00 34.95 31.71 1yqe s ARG 50 CO 0.17 -0.43 1.73 -0.07 -2.50 0.00 0.00 175.30 174.20 1yqe h LEU 51 N 8.04 0.22 -2.61 -0.88 3.38 -1.96 -1.76 115.31 119.74 1yqe h LEU 51 Ca -0.35 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1yqe h LEU 51 Cb 1.17 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1yqe h LEU 51 CO 0.87 0.11 0.05 0.16 0.09 0.00 0.00 178.44 179.72 1yqe h ILE 52 N 0.41 0.00 -0.29 1.22 3.07 -1.89 0.14 117.51 120.18 1yqe h ILE 52 Ca 0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.77 1yqe h ILE 52 Cb 0.50 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1yqe h ILE 52 CO -0.36 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.52 1yqe n TYR 53 N -2.92 0.37 -0.45 0.16 4.02 -0.69 -2.89 117.16 114.75 1yqe n TYR 53 Ca -0.03 -0.28 -0.01 0.00 -0.01 0.00 0.00 57.90 57.57 1yqe n TYR 53 Cb 0.11 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 1yqe n TYR 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yqe n ALA 54 N 0.92 3.73 -1.69 -0.72 0.00 0.51 -4.90 120.51 118.35 1yqe n ALA 54 Ca 0.13 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1yqe n ALA 54 Cb 0.45 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1yqe n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yqe n ASP 55 N 1.73 2.75 -0.44 0.00 10.43 -1.26 -1.79 116.55 127.97 1yqe n ASP 55 Ca 0.05 1.19 -0.06 0.00 2.57 0.00 0.00 54.79 58.54 1yqe n ASP 55 Cb 0.44 -1.47 -0.02 0.00 1.84 0.00 0.00 41.12 41.91 1yqe n ASP 55 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1yqe n HIS 56 N 0.65 0.00 0.26 1.24 8.25 0.37 -4.87 115.22 121.12 1yqe n HIS 56 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1yqe n HIS 56 Cb 0.35 -1.94 0.71 0.00 1.12 0.00 0.00 29.99 30.22 1yqe n HIS 56 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1yqe h ILE 57 N 0.00 0.53 -0.46 1.59 2.10 -1.58 -2.15 117.51 117.54 1yqe h ILE 57 Ca -0.12 -0.59 -0.12 0.00 1.08 0.00 0.00 64.86 65.12 1yqe h ILE 57 Cb 0.84 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 37.95 1yqe h ILE 57 CO 0.17 0.12 -0.18 -2.24 -1.08 0.00 0.00 178.15 174.94 1yqe h ASP 58 N 0.00 0.91 -0.61 2.19 -0.00 -1.87 -1.33 116.42 115.70 1yqe h ASP 58 Ca -0.00 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.03 56.61 1yqe h ASP 58 Cb 0.38 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 1yqe h ASP 58 CO 0.02 1.07 0.00 -0.33 -0.00 0.00 0.00 179.24 180.00 1yqe h GLU 59 N 0.78 1.07 -0.30 4.15 5.08 -1.77 -1.03 114.58 122.56 1yqe h GLU 59 Ca 0.11 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1yqe h GLU 59 Cb 0.72 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1yqe h GLU 59 CO 0.06 1.04 0.10 0.87 -1.00 0.00 0.00 179.01 180.08 1yqe h LYS 60 N 0.97 0.47 -0.05 2.33 1.57 -1.27 -3.05 116.57 117.54 1yqe h LYS 60 Ca 0.17 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1yqe h LYS 60 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1yqe h LYS 60 CO 0.03 0.51 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.83 1yqe h LEU 61 N 0.34 0.14 0.00 2.94 3.38 -1.17 -3.04 115.31 117.90 1yqe h LEU 61 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yqe h LEU 61 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1yqe h LEU 61 CO -0.00 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1yqe n ALA 62 N -2.46 1.53 0.12 1.53 0.00 -0.40 -1.58 120.51 119.26 1yqe n ALA 62 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1yqe n ALA 62 Cb 0.55 -1.14 0.04 0.00 0.00 0.00 0.00 19.45 18.90 1yqe n ALA 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yqe h LYS 63 N 0.00 0.00 0.00 0.00 3.64 -1.58 -3.35 116.57 115.28 1yqe h LYS 63 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1yqe h LYS 63 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1yqe h LYS 63 CO 0.00 0.68 -1.82 0.66 -2.27 0.00 0.00 179.45 176.70 1yqe n TYR 64 N -3.41 0.00 -3.72 1.91 4.02 -0.61 -5.04 117.16 110.31 1yqe n TYR 64 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 1yqe n TYR 64 Cb 0.76 -0.47 -0.07 0.00 -0.02 0.00 0.00 39.34 39.54 1yqe n TYR 64 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1yqe s ILE 65 N -2.95 0.08 -0.17 -0.72 -4.36 -1.05 -5.15 121.20 106.89 1yqe s ILE 65 Ca -0.06 -0.66 -0.10 0.00 -0.26 0.00 0.00 60.65 59.57 1yqe s ILE 65 Cb 0.09 -1.02 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 1yqe s ILE 65 CO 0.67 -0.36 0.16 -1.81 0.24 0.00 0.00 174.94 173.84 1yqe s ASP 66 N -2.26 6.30 -0.12 4.36 1.11 -1.26 -4.17 116.67 120.63 1yqe s ASP 66 Ca -0.03 0.34 -0.17 0.00 0.18 0.00 0.00 52.55 52.88 1yqe s ASP 66 Cb 0.00 -2.10 0.04 0.00 1.07 0.00 0.00 42.92 41.93 1yqe s ASP 66 CO -0.05 0.23 0.44 0.72 1.18 0.00 0.00 175.17 177.69 1yqe s PHE 67 N 0.00 -0.44 -0.51 4.23 -0.12 -1.17 -4.46 117.98 115.52 1yqe s PHE 67 Ca 0.11 0.98 0.24 0.00 -0.05 0.00 0.00 56.93 58.21 1yqe s PHE 67 Cb -0.12 0.18 0.29 0.00 -0.63 0.00 0.00 43.02 42.74 1yqe s PHE 67 CO 0.01 -0.32 1.32 1.05 -0.05 0.00 0.00 175.22 177.23 1yqe h GLU 68 N 4.78 0.00 -2.49 1.99 4.11 0.63 -3.42 114.58 120.18 1yqe h GLU 68 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.27 1yqe h GLU 68 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1yqe h GLU 68 CO 0.28 0.00 0.42 -1.83 0.07 0.00 0.00 179.01 177.95 1yqe s GLU 69 N -3.22 1.18 -0.05 1.06 -1.05 -1.26 -4.12 118.70 111.24 1yqe s GLU 69 Ca 0.05 -0.58 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 1yqe s GLU 69 Cb 0.11 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.24 1yqe s GLU 69 CO 0.72 -0.53 -0.21 0.42 0.95 0.00 0.00 175.26 176.61 1yqe s ILE 70 N -3.38 1.75 -0.37 1.83 1.01 -0.18 -1.39 121.20 120.48 1yqe s ILE 70 Ca 0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1yqe s ILE 70 Cb -0.02 -1.49 0.09 0.00 0.01 0.00 0.00 42.46 41.05 1yqe s ILE 70 CO -0.02 0.49 0.12 -0.76 0.00 0.00 0.00 174.94 174.77 1yqe s LEU 71 N -0.10 4.79 -0.04 2.97 1.02 0.53 -2.92 118.68 124.93 1yqe s LEU 71 Ca -0.03 -1.85 -0.30 0.00 0.02 0.00 0.00 54.13 51.97 1yqe s LEU 71 Cb -0.12 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1yqe s LEU 71 CO 0.03 -0.43 1.11 -0.36 0.02 0.00 0.00 176.35 176.71 1yqe s PHE 72 N 1.12 3.41 -0.26 0.29 0.40 -0.29 -1.40 117.98 121.25 1yqe s PHE 72 Ca 0.05 1.42 -0.07 0.00 -0.60 0.00 0.00 56.93 57.73 1yqe s PHE 72 Cb -0.21 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.00 1yqe s PHE 72 CO -0.04 -0.77 0.07 0.00 0.70 0.00 0.00 175.22 175.17 1yqe s ALA 73 N 1.72 3.11 0.26 5.36 0.00 0.30 -0.49 121.76 132.03 1yqe s ALA 73 Ca 0.54 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1yqe s ALA 73 Cb -0.23 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1yqe s ALA 73 CO 0.23 -0.59 0.53 0.45 0.00 0.00 0.00 175.76 176.38 1yqe s SER 74 N 1.58 -0.08 0.58 0.00 0.15 -0.97 -4.39 113.70 110.57 1yqe s SER 74 Ca 0.05 -0.90 -0.06 0.00 0.70 0.00 0.00 55.95 55.74 1yqe s SER 74 Cb -0.16 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1yqe s SER 74 CO 0.03 -1.20 0.89 0.00 1.20 0.00 0.00 173.24 174.16 1yqe s ARG 75 N -3.91 3.02 -0.12 5.44 1.70 -1.26 -2.80 118.95 121.01 1yqe s ARG 75 Ca 0.21 0.05 0.01 0.00 -0.47 0.00 0.00 55.73 55.53 1yqe s ARG 75 Cb -0.02 -2.28 0.02 0.00 -0.57 0.00 0.00 34.95 32.10 1yqe s ARG 75 CO 0.09 -0.64 -0.14 -1.58 -1.08 0.00 0.00 175.30 171.95 1yqe s HIS 76 N -2.97 2.02 -0.19 5.89 5.65 -0.02 -4.72 115.29 120.94 1yqe s HIS 76 Ca 0.53 -1.02 -0.07 0.00 0.25 0.00 0.00 55.06 54.76 1yqe s HIS 76 Cb -0.11 -1.47 -0.04 0.00 -1.18 0.00 0.00 32.58 29.79 1yqe s HIS 76 CO 0.45 -0.54 0.04 0.45 -0.65 0.00 0.00 174.74 174.50 1yqe s SER 77 N 1.19 5.39 -0.05 9.88 0.15 -1.26 -3.81 113.70 125.19 1yqe s SER 77 Ca -0.02 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.52 1yqe s SER 77 Cb -0.14 -1.92 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1yqe s SER 77 CO -0.05 0.14 0.25 -0.55 1.20 0.00 0.00 173.24 174.23 1yqe s SER 78 N 0.58 -0.18 0.14 5.45 0.15 -0.86 -5.03 113.70 113.95 1yqe s SER 78 Ca 0.02 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.11 1yqe s SER 78 Cb -0.13 0.39 0.90 0.00 -1.71 0.00 0.00 66.02 65.46 1yqe s SER 78 CO 0.02 -0.27 1.70 2.29 1.20 0.00 0.00 173.24 178.18 1yqe n LYS 79 N 2.06 0.13 0.10 5.44 2.85 -1.26 -2.62 118.16 124.86 1yqe n LYS 79 Ca -0.18 0.26 0.13 0.00 -1.05 0.00 0.00 58.31 57.47 1yqe n LYS 79 Cb 0.57 -1.70 0.45 0.00 -0.65 0.00 0.00 35.03 33.69 1yqe n LYS 79 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yqe n ASP 80 N -1.93 0.66 -0.52 -5.58 5.68 -1.26 -4.90 116.55 108.69 1yqe n ASP 80 Ca 0.04 0.59 -0.06 0.00 -0.50 0.00 0.00 54.79 54.85 1yqe n ASP 80 Cb 0.28 -0.76 -0.03 0.00 -1.14 0.00 0.00 41.12 39.48 1yqe n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yqe n GLY 81 N 0.95 0.61 3.77 6.12 0.00 -1.08 -4.95 105.19 110.62 1yqe n GLY 81 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1yqe n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yqe s ARG 82 N -2.41 3.26 -0.45 1.61 0.52 -1.26 -4.67 118.95 115.56 1yqe s ARG 82 Ca 0.00 1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 56.59 1yqe s ARG 82 Cb 0.00 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.50 1yqe s ARG 82 CO 0.00 -0.92 0.70 0.15 0.02 0.00 0.00 175.30 175.26 1yqe s LYS 83 N -3.39 3.32 0.06 3.54 1.02 -1.26 -1.85 119.74 121.19 1yqe s LYS 83 Ca 0.72 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 56.38 1yqe s LYS 83 Cb -0.24 -3.95 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 1yqe s LYS 83 CO 0.29 -1.07 0.09 0.96 -0.92 0.00 0.00 175.35 174.70 1yqe s ILE 84 N 3.02 0.17 -0.15 2.17 -4.36 0.17 -2.16 121.20 120.05 1yqe s ILE 84 Ca 0.25 -1.37 -0.02 0.00 -0.26 0.00 0.00 60.65 59.26 1yqe s ILE 84 Cb -0.13 -1.26 -0.02 0.00 1.25 0.00 0.00 42.46 42.29 1yqe s ILE 84 CO 0.20 -0.75 -0.08 -0.36 0.24 0.00 0.00 174.94 174.19 1yqe s PHE 85 N -3.50 2.92 0.21 1.37 0.08 -0.62 0.67 117.98 119.11 1yqe s PHE 85 Ca 0.03 -0.53 0.05 0.00 0.12 0.00 0.00 56.93 56.60 1yqe s PHE 85 Cb 0.04 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 1yqe s PHE 85 CO -0.09 -0.18 -0.08 0.95 -0.10 0.00 0.00 175.22 175.73 1yqe s THR 86 N 0.51 1.36 -0.01 0.64 -4.23 -0.75 -1.88 115.64 111.29 1yqe s THR 86 Ca -0.06 -2.10 -0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1yqe s THR 86 Cb -0.15 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1yqe s THR 86 CO 0.03 -0.51 0.01 -0.69 -0.54 0.00 0.00 174.62 172.93 1yqe s VAL 87 N -3.21 -0.01 0.00 2.29 1.01 -1.20 -1.51 120.40 117.77 1yqe s VAL 87 Ca 0.24 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1yqe s VAL 87 Cb 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 36.38 36.47 1yqe s VAL 87 CO 0.07 0.02 0.94 -1.38 0.00 0.00 0.00 175.10 174.74 1yqe s HIS 88 N 0.24 -0.29 -0.07 5.22 -3.43 -1.01 -1.09 115.29 114.86 1yqe s HIS 88 Ca -0.02 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.39 1yqe s HIS 88 Cb -0.03 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1yqe s HIS 88 CO -0.01 -0.55 -0.10 0.08 -2.00 0.00 0.00 174.74 172.16 1yqe s VAL 89 N -3.07 3.41 0.66 -5.38 1.01 -1.26 0.10 120.40 115.87 1yqe s VAL 89 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1yqe s VAL 89 Cb -0.01 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1yqe s VAL 89 CO -0.07 0.59 1.07 -0.94 0.00 0.00 0.00 175.10 175.75 1yqe s SER 90 N -0.67 5.43 0.00 3.32 1.04 -1.26 -3.49 113.70 118.07 1yqe s SER 90 Ca 0.10 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1yqe s SER 90 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1yqe s SER 90 CO 0.01 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.44 1yqe n GLY 91 N -1.37 3.79 3.31 7.32 0.00 0.03 -2.29 105.19 115.97 1yqe n GLY 91 Ca 0.08 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1yqe n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yqe s ASN 92 N 0.00 2.73 0.00 1.61 0.01 0.22 -3.08 114.94 116.43 1yqe s ASN 92 Ca 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1yqe s ASN 92 Cb 0.00 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1yqe s ASN 92 CO 0.00 0.11 0.00 0.52 -1.51 0.00 0.00 177.10 176.22 1yqe n VAL 93 N 1.17 0.00 0.32 1.60 0.31 -1.26 -2.55 118.33 117.91 1yqe n VAL 93 Ca -0.19 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.28 1yqe n VAL 93 Cb 0.53 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.91 1yqe n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1yqe h GLY 94 N 0.00 0.00 -5.07 2.92 0.00 -1.92 0.26 103.07 99.26 1yqe h GLY 94 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1yqe h GLY 94 CO 0.00 0.00 -0.74 -0.51 0.00 0.00 0.00 176.54 175.29 1yqe s THR 95 N -3.39 0.41 -0.56 4.70 -4.23 -1.26 -4.87 115.64 106.44 1yqe s THR 95 Ca 0.05 -0.65 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1yqe s THR 95 Cb 0.08 -0.43 0.31 0.00 1.34 0.00 0.00 72.50 73.80 1yqe s THR 95 CO 0.57 -0.17 0.83 0.00 -0.54 0.00 0.00 174.62 175.30 1yqe n ALA 96 N 2.17 3.97 0.36 3.99 0.00 -1.26 -4.82 120.51 124.92 1yqe n ALA 96 Ca -0.18 -4.45 0.13 0.00 0.00 0.00 0.00 53.44 48.93 1yqe n ALA 96 Cb 0.56 -0.81 0.33 0.00 0.00 0.00 0.00 19.45 19.53 1yqe n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yqe h ASP 97 N 3.43 0.00 -1.87 0.00 3.32 -1.97 -3.37 116.42 115.95 1yqe h ASP 97 Ca 0.14 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.70 1yqe h ASP 97 Cb 0.64 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.78 1yqe h ASP 97 CO 0.76 0.00 -1.03 0.49 -1.72 0.00 0.00 179.24 177.73 1yqe n PHE 98 N -2.79 1.51 0.00 4.55 3.72 -1.26 -5.09 117.46 118.09 1yqe n PHE 98 Ca 0.04 -3.65 0.00 0.00 -0.05 0.00 0.00 57.45 53.79 1yqe n PHE 98 Cb 0.45 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1yqe n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yqe n GLY 99 N 0.04 2.38 7.00 1.37 0.00 -1.26 -1.52 105.19 113.21 1yqe n GLY 99 Ca 0.25 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1yqe n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqe n GLY 100 N 1.55 -1.48 3.47 -0.02 0.00 -1.24 -3.09 105.19 104.38 1yqe n GLY 100 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1yqe n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yqe s LYS 101 N 0.00 1.70 0.69 1.61 1.02 -1.26 -4.92 119.74 118.58 1yqe s LYS 101 Ca 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 55.97 54.35 1yqe s LYS 101 Cb 0.00 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1yqe s LYS 101 CO 0.00 0.40 1.25 -2.14 -0.92 0.00 0.00 175.35 173.94 1yqe s PRO 102 N -2.81 2.31 -1.78 -1.68 0.02 -1.26 -3.13 135.00 126.66 1yqe s PRO 102 Ca 0.23 1.92 -0.20 0.00 0.02 0.00 0.00 61.00 62.97 1yqe s PRO 102 Cb -0.08 -1.83 0.19 0.00 0.02 0.00 0.00 34.50 32.79 1yqe s PRO 102 CO 0.12 -1.75 0.65 0.66 -0.33 0.00 0.00 177.00 176.35 1yqe n TYR 103 N -2.34 -1.43 -4.65 6.54 4.01 0.92 -4.93 117.16 115.27 1yqe n TYR 103 Ca 0.15 0.74 -0.23 0.00 -0.16 0.00 0.00 57.90 58.39 1yqe n TYR 103 Cb 0.49 -2.43 -0.16 0.00 -0.31 0.00 0.00 39.34 36.94 1yqe n TYR 103 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1yqe s SER 104 N -3.35 1.75 0.03 7.72 0.15 -1.06 -4.99 113.70 113.95 1yqe s SER 104 Ca 0.73 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.18 1yqe s SER 104 Cb -0.42 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.44 1yqe s SER 104 CO 0.98 0.13 -0.23 -0.76 1.20 0.00 0.00 173.24 174.55 1yqe s LEU 105 N 0.03 2.14 0.41 3.45 1.43 -1.26 -0.61 118.68 124.27 1yqe s LEU 105 Ca -0.02 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1yqe s LEU 105 Cb -0.09 -1.14 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 1yqe s LEU 105 CO 0.01 0.23 0.83 0.00 0.23 0.00 0.00 176.35 177.64 1yqe s ALA 106 N -0.74 3.25 -0.07 4.21 0.00 -0.97 -4.73 121.76 122.71 1yqe s ALA 106 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1yqe s ALA 106 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1yqe s ALA 106 CO 0.01 0.04 1.51 0.21 0.00 0.00 0.00 175.76 177.54 1yqe s LYS 107 N -3.61 4.21 0.86 0.00 2.47 -0.70 -4.88 119.74 118.09 1yqe s LYS 107 Ca 0.55 2.02 -0.13 0.00 -1.56 0.00 0.00 55.97 56.85 1yqe s LYS 107 Cb -0.10 -3.86 0.12 0.00 -1.46 0.00 0.00 37.83 32.53 1yqe s LYS 107 CO 0.26 -0.77 1.20 -1.25 0.16 0.00 0.00 175.35 174.95 1yqe s PRO 108 N 3.63 1.52 -0.45 4.03 0.04 -1.26 0.07 135.00 142.58 1yqe s PRO 108 Ca 0.67 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.83 1yqe s PRO 108 Cb -0.30 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 32.59 1yqe s PRO 108 CO 0.25 -1.89 0.58 0.45 0.04 0.00 0.00 177.00 176.44 1yqe n SER 109 N -3.50 1.10 -0.29 6.66 2.88 -1.05 -3.76 113.62 115.66 1yqe n SER 109 Ca 0.09 -2.89 0.10 0.00 -1.33 0.00 0.00 58.87 54.84 1yqe n SER 109 Cb 0.60 -0.65 0.25 0.00 -0.75 0.00 0.00 64.21 63.67 1yqe n SER 109 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1yqe h PRO 110 N 4.02 0.41 0.06 -1.46 0.11 -1.89 -1.38 132.00 131.87 1yqe h PRO 110 Ca 0.10 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1yqe h PRO 110 Cb 0.83 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1yqe h PRO 110 CO 0.56 0.27 -0.03 1.96 -0.21 0.00 0.00 178.00 180.55 1yqe h GLN 111 N 0.42 -0.08 -0.71 1.05 1.08 -1.93 -2.16 115.11 112.79 1yqe h GLN 111 Ca 0.49 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.63 1yqe h GLN 111 Cb 0.86 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.28 1yqe h GLN 111 CO -0.48 0.24 0.17 1.15 -0.95 0.00 0.00 178.83 178.95 1yqe h THR 112 N -0.40 1.26 -0.67 -0.54 2.02 -1.88 -0.65 112.91 112.06 1yqe h THR 112 Ca -0.01 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.24 1yqe h THR 112 Cb 0.35 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1yqe h THR 112 CO 0.01 0.38 0.38 0.24 0.37 0.00 0.00 175.52 176.90 1yqe h MET 113 N 1.08 0.67 -0.05 6.66 2.86 -1.25 0.81 114.93 125.71 1yqe h MET 113 Ca 0.22 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1yqe h MET 113 Cb 0.39 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1yqe h MET 113 CO 0.00 0.45 0.02 -0.22 1.06 0.00 0.00 176.91 178.22 1yqe h LYS 114 N 0.70 0.08 -0.34 1.72 1.63 -0.75 -1.38 116.57 118.22 1yqe h LYS 114 Ca 0.30 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1yqe h LYS 114 Cb 0.18 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1yqe h LYS 114 CO -0.18 0.25 0.11 -0.91 -3.45 0.00 0.00 179.45 175.27 1yqe h ASN 115 N -0.10 0.44 -0.08 4.20 2.35 -0.81 -1.53 115.58 120.06 1yqe h ASN 115 Ca 0.02 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1yqe h ASN 115 Cb 0.20 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1yqe h ASN 115 CO -0.00 0.43 0.01 0.22 -1.65 0.00 0.00 177.43 176.44 1yqe h TYR 116 N 0.49 0.14 -0.84 1.19 3.20 -0.64 -1.97 116.97 118.54 1yqe h TYR 116 Ca 0.12 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1yqe h TYR 116 Cb 0.15 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1yqe h TYR 116 CO 0.01 0.36 0.53 0.28 -1.64 0.00 0.00 178.16 177.70 1yqe h VAL 117 N -0.12 1.23 -0.11 1.81 2.07 -0.74 0.25 116.25 120.63 1yqe h VAL 117 Ca 0.02 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1yqe h VAL 117 Cb 0.30 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1yqe h VAL 117 CO 0.00 0.23 -0.43 -0.07 0.02 0.00 0.00 177.57 177.32 1yqe h LEU 118 N 1.14 0.27 -0.72 2.57 3.38 -1.27 0.53 115.31 121.22 1yqe h LEU 118 Ca 0.30 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1yqe h LEU 118 Cb -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1yqe h LEU 118 CO -0.06 0.67 -0.62 0.00 0.09 0.00 0.00 178.44 178.52 1yqe h ALA 119 N 1.34 0.93 -0.02 1.53 0.00 -0.83 -2.72 119.26 119.49 1yqe h ALA 119 Ca 0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1yqe h ALA 119 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1yqe h ALA 119 CO 0.07 0.77 -0.27 1.25 0.00 0.00 0.00 179.25 181.07 1yqe h LEU 120 N 0.00 0.28 -0.93 0.00 5.85 -0.56 -3.23 115.31 116.71 1yqe h LEU 120 Ca -0.01 -0.72 0.19 0.00 0.84 0.00 0.00 57.88 58.18 1yqe h LEU 120 Cb 1.13 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.97 1yqe h LEU 120 CO 0.08 0.96 0.51 -0.09 -0.34 0.00 0.00 178.44 179.56 1yqe h ARG 121 N -0.37 0.61 0.00 1.25 2.43 -0.85 0.33 114.38 117.78 1yqe h ARG 121 Ca -0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1yqe h ARG 121 Cb 0.98 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1yqe h ARG 121 CO 0.06 0.41 -0.03 1.49 -1.51 0.00 0.00 179.97 180.38 1yqe h GLU 122 N 0.63 0.00 -0.01 0.20 4.81 -1.50 -2.95 114.58 115.76 1yqe h GLU 122 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1yqe h GLU 122 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1yqe h GLU 122 CO -0.41 0.03 -0.14 0.54 -0.73 0.00 0.00 179.01 178.30 1yqe n ARG 123 N -3.53 2.03 -0.20 1.92 1.74 0.93 -4.74 116.66 114.82 1yqe n ARG 123 Ca -0.02 -0.57 0.25 0.00 -0.77 0.00 0.00 57.85 56.73 1yqe n ARG 123 Cb 0.13 -1.02 0.64 0.00 -1.02 0.00 0.00 32.46 31.19 1yqe n ARG 123 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1yqe h LEU 124 N 0.92 0.16 0.00 0.55 3.38 -0.74 -0.90 115.31 118.69 1yqe h LEU 124 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yqe h LEU 124 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1yqe h LEU 124 CO 0.00 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.06 1yqe n ASP 125 N -4.38 0.00 0.18 -0.43 8.00 -1.26 -1.95 116.55 116.71 1yqe n ASP 125 Ca 0.19 0.29 0.06 0.00 0.71 0.00 0.00 54.79 56.03 1yqe n ASP 125 Cb 0.85 -0.39 0.27 0.00 -0.02 0.00 0.00 41.12 41.83 1yqe n ASP 125 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1yqe h ARG 126 N 0.00 0.00 -2.25 -1.24 3.08 -1.53 -3.31 114.38 109.13 1yqe h ARG 126 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1yqe h ARG 126 Cb 0.19 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.84 1yqe h ARG 126 CO 0.00 0.38 -0.77 1.63 -1.07 0.00 0.00 179.97 180.14 1yqe n LYS 127 N -3.40 1.76 -0.22 0.04 4.76 -0.82 -4.97 118.16 115.30 1yqe n LYS 127 Ca 0.01 -4.13 0.27 0.00 -2.87 0.00 0.00 58.31 51.59 1yqe n LYS 127 Cb 0.56 -1.91 0.67 0.00 -1.84 0.00 0.00 35.03 32.50 1yqe n LYS 127 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1yqe h PRO 128 N 4.36 0.11 0.00 1.97 0.11 -1.66 0.16 132.00 137.05 1yqe h PRO 128 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1yqe h PRO 128 Cb 0.75 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1yqe h PRO 128 CO 0.68 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1yqe n GLU 129 N -4.34 0.14 -3.94 1.05 0.00 -1.26 -4.80 120.64 107.49 1yqe n GLU 129 Ca 0.20 0.07 -0.28 0.00 0.00 0.00 0.00 57.16 57.15 1yqe n GLU 129 Cb 0.94 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.84 1yqe n GLU 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1yqe s PHE 130 N -2.83 3.50 0.06 -1.84 0.40 0.04 -4.67 117.98 112.64 1yqe s PHE 130 Ca 0.16 0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1yqe s PHE 130 Cb 0.16 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1yqe s PHE 130 CO 0.41 0.55 -0.13 -2.00 0.70 0.00 0.00 175.22 174.76 1yqe s GLU 131 N -2.91 0.77 0.00 0.44 2.12 -0.92 -4.99 118.70 113.22 1yqe s GLU 131 Ca 0.35 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.79 1yqe s GLU 131 Cb -0.12 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1yqe s GLU 131 CO 0.28 0.16 0.21 0.12 -0.54 0.00 0.00 175.26 175.50 1yqe s PHE 132 N -1.17 3.55 -0.12 5.30 5.36 -1.26 -1.59 117.98 128.05 1yqe s PHE 132 Ca -0.03 0.41 -0.29 0.00 -0.96 0.00 0.00 56.93 56.06 1yqe s PHE 132 Cb -0.09 -1.87 0.07 0.00 -0.34 0.00 0.00 43.02 40.79 1yqe s PHE 132 CO 0.02 0.63 0.69 -0.08 -1.46 0.00 0.00 175.22 175.01 1yqe s THR 133 N -1.34 0.00 0.61 0.12 -1.32 -0.79 -4.94 115.64 107.99 1yqe s THR 133 Ca 0.28 -0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.67 1yqe s THR 133 Cb -0.13 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1yqe s THR 133 CO 0.19 -0.00 0.97 -0.04 -2.21 0.00 0.00 174.62 173.53 1yqe s MET 134 N -0.65 3.20 0.02 7.08 -1.94 -1.26 -3.23 119.30 122.52 1yqe s MET 134 Ca -0.07 0.37 0.06 0.00 -1.71 0.00 0.00 55.69 54.34 1yqe s MET 134 Cb -0.02 -2.17 -0.02 0.00 2.01 0.00 0.00 34.83 34.64 1yqe s MET 134 CO 0.07 -0.67 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.01 1yqe s GLU 135 N -5.10 1.35 1.03 2.03 2.02 -0.25 -4.22 118.70 115.56 1yqe s GLU 135 Ca 0.54 -0.78 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1yqe s GLU 135 Cb -0.11 -1.37 0.21 0.00 0.10 0.00 0.00 34.13 32.96 1yqe s GLU 135 CO 0.49 0.36 1.08 0.14 0.02 0.00 0.00 175.26 177.36 1yqe s VAL 136 N -0.64 2.03 0.12 2.63 -7.23 -0.74 -4.48 120.40 112.09 1yqe s VAL 136 Ca 0.06 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.93 1yqe s VAL 136 Cb -0.08 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 1yqe s VAL 136 CO 0.01 -0.01 1.45 -0.89 -0.31 0.00 0.00 175.10 175.34 1yqe s THR 137 N -2.89 3.15 -0.12 5.32 2.01 0.49 -4.70 115.64 118.90 1yqe s THR 137 Ca 0.66 0.80 -0.33 0.00 0.31 0.00 0.00 61.69 63.13 1yqe s THR 137 Cb -0.20 -3.51 0.13 0.00 0.01 0.00 0.00 72.50 68.93 1yqe s THR 137 CO 0.59 0.05 1.09 -1.38 -0.69 0.00 0.00 174.62 174.28 1yqe s HIS 138 N 1.31 -0.21 0.48 4.92 -3.43 -1.18 -4.83 115.29 112.35 1yqe s HIS 138 Ca 0.66 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 1yqe s HIS 138 Cb -0.38 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1yqe s HIS 138 CO 0.30 -0.33 0.00 0.72 -2.00 0.00 0.00 174.74 173.43 1yqe n HIS 139 N -0.13 -3.19 -1.67 0.38 -0.00 -1.18 -3.91 115.22 105.52 1yqe n HIS 139 Ca -0.03 1.73 -0.30 0.00 -0.00 0.00 0.00 57.72 59.12 1yqe n HIS 139 Cb 0.60 -2.90 0.19 0.00 -0.00 0.00 0.00 29.99 27.87 1yqe n HIS 139 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1yqe s GLY 140 N -6.76 1.69 0.22 -1.41 0.00 -0.57 -0.79 107.32 99.69 1yqe s GLY 140 Ca 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 1yqe s GLY 140 CO 0.00 -0.26 0.86 2.56 0.00 0.00 0.00 173.10 176.26 1yqe s PRO 141 N -5.67 4.69 -0.05 2.90 0.04 -1.14 -4.36 135.00 131.40 1yqe s PRO 141 Ca 0.71 1.31 0.19 0.00 0.04 0.00 0.00 61.00 63.24 1yqe s PRO 141 Cb -0.07 -3.21 -0.23 0.00 0.04 0.00 0.00 34.50 31.03 1yqe s PRO 141 CO 0.53 0.51 0.49 -1.13 0.04 0.00 0.00 177.00 177.44 1yqe n SER 142 N 1.41 0.35 -3.79 6.66 3.41 -1.26 -4.23 113.62 116.16 1yqe n SER 142 Ca -0.03 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 1yqe n SER 142 Cb 0.48 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 1yqe n SER 142 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yqe n GLU 143 N -2.68 3.82 -3.98 4.33 -0.58 -1.26 -3.07 120.64 117.22 1yqe n GLU 143 Ca -0.16 -3.53 -0.27 0.00 -0.42 0.00 0.00 57.16 52.79 1yqe n GLU 143 Cb 0.87 -2.86 -0.17 0.00 -0.57 0.00 0.00 31.44 28.71 1yqe n GLU 143 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1yqe s ILE 144 N 0.03 1.12 -0.11 -3.67 -1.09 -1.26 -0.48 121.20 115.74 1yqe s ILE 144 Ca 0.42 -0.36 0.16 0.00 -2.23 0.00 0.00 60.65 58.64 1yqe s ILE 144 Cb 0.11 -1.11 -0.22 0.00 -1.58 0.00 0.00 42.46 39.67 1yqe s ILE 144 CO -0.01 0.38 0.53 -1.20 -1.23 0.00 0.00 174.94 173.41 1yqe n SER 145 N 4.82 0.56 -4.78 3.58 7.64 -1.26 -1.72 113.62 122.46 1yqe n SER 145 Ca -0.14 0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.63 1yqe n SER 145 Cb 0.50 0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 64.11 1yqe n SER 145 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yqe s LYS 146 N -2.73 4.14 0.35 1.43 -0.14 -1.26 -4.68 119.74 116.86 1yqe s LYS 146 Ca -0.06 1.52 -0.28 0.00 -1.36 0.00 0.00 55.97 55.79 1yqe s LYS 146 Cb 0.08 -2.53 -0.12 0.00 -1.68 0.00 0.00 37.83 33.58 1yqe s LYS 146 CO 0.83 -0.16 1.34 -2.30 -0.76 0.00 0.00 175.35 174.30 1yqe n PRO 147 N -0.10 2.27 -3.86 -1.68 -0.02 -1.26 -4.38 135.00 125.97 1yqe n PRO 147 Ca 0.05 0.80 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1yqe n PRO 147 Cb 0.50 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1yqe n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1yqe s SER 148 N -0.27 -0.14 -0.05 2.55 1.04 0.11 -1.02 113.70 115.93 1yqe s SER 148 Ca 0.55 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 1yqe s SER 148 Cb -0.54 0.75 0.11 0.00 0.10 0.00 0.00 66.02 66.44 1yqe s SER 148 CO 0.63 -1.44 0.98 0.00 0.98 0.00 0.00 173.24 174.39 1yqe s ALA 149 N -3.43 -1.89 -0.17 5.32 0.00 -1.15 -2.52 121.76 117.92 1yqe s ALA 149 Ca 0.14 1.15 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1yqe s ALA 149 Cb -0.05 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1yqe s ALA 149 CO 0.09 -0.68 0.01 -0.06 0.00 0.00 0.00 175.76 175.12 1yqe s PHE 150 N -2.93 3.12 -0.27 0.00 0.40 0.11 -1.14 117.98 117.27 1yqe s PHE 150 Ca 0.06 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1yqe s PHE 150 Cb -0.01 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.54 1yqe s PHE 150 CO -0.08 0.02 -0.03 0.71 0.70 0.00 0.00 175.22 176.54 1yqe s TYR 151 N 0.42 3.17 0.36 0.36 1.51 0.36 -2.40 117.35 121.13 1yqe s TYR 151 Ca -0.01 -1.75 0.04 0.00 -1.01 0.00 0.00 57.07 54.34 1yqe s TYR 151 Cb -0.13 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1yqe s TYR 151 CO 0.02 -0.77 0.07 -1.21 -1.11 0.00 0.00 175.55 172.54 1yqe s GLU 152 N 1.28 1.77 -0.12 -0.62 2.02 -0.57 -2.30 118.70 120.16 1yqe s GLU 152 Ca -0.03 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1yqe s GLU 152 Cb -0.18 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.18 1yqe s GLU 152 CO -0.03 -0.26 -0.11 0.42 0.02 0.00 0.00 175.26 175.30 1yqe s ILE 153 N -3.22 1.27 0.06 -1.63 1.01 -1.12 -1.80 121.20 115.76 1yqe s ILE 153 Ca 0.32 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1yqe s ILE 153 Cb 0.07 -1.22 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 1yqe s ILE 153 CO 0.15 0.41 0.04 0.61 0.00 0.00 0.00 174.94 176.14 1yqe n GLY 154 N 4.74 3.86 0.00 6.18 0.00 0.21 -0.84 105.19 119.34 1yqe n GLY 154 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1yqe n GLY 154 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yqe n SER 155 N -2.69 0.00 -3.91 1.61 7.64 -0.77 0.43 113.62 115.93 1yqe n SER 155 Ca 0.01 -0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.46 1yqe n SER 155 Cb 0.10 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 1yqe n SER 155 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1yqe s THR 156 N 0.00 0.42 0.49 0.44 -4.23 -1.26 -2.04 115.64 109.46 1yqe s THR 156 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1yqe s THR 156 Cb 0.00 -2.32 0.34 0.00 1.34 0.00 0.00 72.50 71.86 1yqe s THR 156 CO 0.00 0.00 2.03 -0.08 -0.54 0.00 0.00 174.62 176.03 1yqe h GLU 157 N 1.80 0.17 -0.75 3.99 4.57 -1.98 -0.83 114.58 121.54 1yqe h GLU 157 Ca -0.32 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 57.89 1yqe h GLU 157 Cb 1.27 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 1yqe h GLU 157 CO 0.51 0.11 0.46 0.93 -1.18 0.00 0.00 179.01 179.84 1yqe h GLU 158 N 0.17 0.84 0.12 1.92 4.39 -1.99 -1.81 114.58 118.22 1yqe h GLU 158 Ca 0.20 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 1yqe h GLU 158 Cb 0.57 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1yqe h GLU 158 CO -0.03 0.56 -1.25 0.93 -1.16 0.00 0.00 179.01 178.05 1yqe h GLU 159 N 0.86 0.25 -0.16 2.33 3.07 -1.52 -3.20 114.58 116.21 1yqe h GLU 159 Ca 0.32 -0.42 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1yqe h GLU 159 Cb 0.11 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1yqe h GLU 159 CO -0.15 1.19 -0.04 -1.49 -1.40 0.00 0.00 179.01 177.12 1yqe h TRP 160 N 0.07 0.24 -0.01 4.33 6.55 -0.93 -1.68 115.95 124.51 1yqe h TRP 160 Ca -0.13 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.69 1yqe h TRP 160 Cb 1.96 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 30.19 1yqe h TRP 160 CO 0.06 0.29 -0.15 1.63 -1.05 0.00 0.00 178.44 179.22 1yqe n LYS 161 N -4.36 1.10 -1.88 0.49 5.02 -0.71 -3.39 118.16 114.42 1yqe n LYS 161 Ca -0.01 -0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 55.27 1yqe n LYS 161 Cb 0.20 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1yqe n LYS 161 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1yqe s ASP 162 N -2.32 5.53 0.13 4.39 -1.08 -0.63 -4.88 116.67 117.81 1yqe s ASP 162 Ca 0.30 1.22 -0.18 0.00 -0.52 0.00 0.00 52.55 53.37 1yqe s ASP 162 Cb 0.20 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1yqe s ASP 162 CO 0.45 -2.01 1.75 0.03 0.52 0.00 0.00 175.17 175.91 1yqe h ARG 163 N 14.45 0.40 -0.20 4.34 -0.00 -1.88 -2.67 114.38 128.82 1yqe h ARG 163 Ca -0.33 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.00 1yqe h ARG 163 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 31.07 1yqe h ARG 163 CO 1.07 0.32 -0.36 1.49 0.00 0.00 0.00 179.97 182.48 1yqe h GLU 164 N 0.38 0.44 -0.70 0.04 4.81 -1.98 -1.72 114.58 115.85 1yqe h GLU 164 Ca 0.11 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1yqe h GLU 164 Cb 0.02 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1yqe h GLU 164 CO -0.02 0.74 0.41 0.00 -0.73 0.00 0.00 179.01 179.42 1yqe h ALA 165 N 1.24 0.89 -0.16 2.92 0.00 -1.89 0.31 119.26 122.58 1yqe h ALA 165 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1yqe h ALA 165 Cb 0.81 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1yqe h ALA 165 CO 0.07 0.37 -0.30 0.00 0.00 0.00 0.00 179.25 179.39 1yqe h ALA 166 N 1.21 1.21 -0.26 0.00 0.00 -1.22 -1.87 119.26 118.33 1yqe h ALA 166 Ca 0.25 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1yqe h ALA 166 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yqe h ALA 166 CO -0.05 0.52 -0.47 1.49 0.00 0.00 0.00 179.25 180.75 1yqe h GLU 167 N 0.26 0.68 -0.43 0.00 4.22 -0.55 -0.61 114.58 118.15 1yqe h GLU 167 Ca 0.04 -0.38 -0.10 0.00 0.08 0.00 0.00 59.36 58.99 1yqe h GLU 167 Cb 0.66 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1yqe h GLU 167 CO 0.05 1.00 -0.12 0.28 -2.18 0.00 0.00 179.01 178.04 1yqe h VAL 168 N 0.54 1.27 -0.51 0.32 2.07 -0.66 -1.62 116.25 117.67 1yqe h VAL 168 Ca 0.03 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1yqe h VAL 168 Cb 1.01 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1yqe h VAL 168 CO 0.10 0.42 0.17 0.58 0.02 0.00 0.00 177.57 178.85 1yqe h VAL 169 N 0.66 1.23 -0.73 2.57 2.07 -1.22 -1.61 116.25 119.22 1yqe h VAL 169 Ca 0.11 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1yqe h VAL 169 Cb 0.66 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1yqe h VAL 169 CO 0.05 0.28 0.49 0.00 0.02 0.00 0.00 177.57 178.40 1yqe h ALA 170 N 1.02 0.93 -0.53 1.67 0.00 -0.96 0.49 119.26 121.88 1yqe h ALA 170 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1yqe h ALA 170 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yqe h ALA 170 CO -0.01 0.34 0.09 0.93 0.00 0.00 0.00 179.25 180.61 1yqe h GLU 171 N 0.99 0.88 -0.64 0.00 5.08 -1.07 -0.95 114.58 118.87 1yqe h GLU 171 Ca 0.27 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1yqe h GLU 171 Cb -0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1yqe h GLU 171 CO -0.06 0.86 0.17 0.00 -1.00 0.00 0.00 179.01 178.98 1yqe h ALA 172 N 0.99 1.09 -0.48 3.43 0.00 -0.85 -1.81 119.26 121.63 1yqe h ALA 172 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1yqe h ALA 172 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1yqe h ALA 172 CO 0.01 0.61 0.15 0.52 0.00 0.00 0.00 179.25 180.54 1yqe h MET 173 N 0.96 0.74 -0.92 0.00 2.86 -0.57 -1.07 114.93 116.93 1yqe h MET 173 Ca 0.21 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1yqe h MET 173 Cb 0.31 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1yqe h MET 173 CO -0.00 0.70 0.58 1.25 1.06 0.00 0.00 176.91 180.49 1yqe h LEU 174 N 0.64 1.09 -0.86 1.22 5.85 -0.81 0.13 115.31 122.57 1yqe h LEU 174 Ca 0.16 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1yqe h LEU 174 Cb 0.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1yqe h LEU 174 CO -0.01 0.82 0.03 0.44 -0.34 0.00 0.00 178.44 179.38 1yqe h ASP 175 N 1.26 0.84 -0.40 1.25 3.32 -1.06 -1.93 116.42 119.71 1yqe h ASP 175 Ca 0.33 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1yqe h ASP 175 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1yqe h ASP 175 CO -0.07 0.89 -0.08 0.00 -1.72 0.00 0.00 179.24 178.26 1yqe h ALA 176 N 1.21 0.55 -0.43 3.45 0.00 -0.39 -1.11 119.26 122.53 1yqe h ALA 176 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1yqe h ALA 176 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yqe h ALA 176 CO 0.02 0.40 0.17 0.82 0.00 0.00 0.00 179.25 180.66 1yqe h ILE 177 N 0.57 1.16 0.00 0.00 2.04 -0.51 -2.74 117.51 118.03 1yqe h ILE 177 Ca 0.10 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1yqe h ILE 177 Cb 0.60 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1yqe h ILE 177 CO 0.04 0.20 -0.66 0.54 0.00 0.00 0.00 178.15 178.26 1yqe n ARG 178 N -4.37 0.17 -1.70 2.37 1.74 -0.75 -4.97 116.66 109.16 1yqe n ARG 178 Ca 0.03 0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 1yqe n ARG 178 Cb 0.15 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 1yqe n ARG 178 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yqe n ALA 179 N -1.69 1.29 -0.06 7.54 0.00 -0.43 -4.96 120.51 122.20 1yqe n ALA 179 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 1yqe n ALA 179 Cb 0.40 -2.25 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 1yqe n ALA 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yqe n GLU 180 N 0.60 0.79 -2.18 0.00 1.02 -1.26 -4.90 120.64 114.71 1yqe n GLU 180 Ca 0.05 -0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1yqe n GLU 180 Cb 0.36 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1yqe n GLU 180 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1yqe s LYS 181 N -2.84 3.80 -0.10 3.49 2.20 -1.26 -4.83 119.74 120.20 1yqe s LYS 181 Ca -0.09 1.54 0.14 0.00 -0.36 0.00 0.00 55.97 57.21 1yqe s LYS 181 Cb 0.09 -4.01 0.30 0.00 -1.51 0.00 0.00 37.83 32.70 1yqe s LYS 181 CO 0.80 -1.28 1.15 -1.33 -0.36 0.00 0.00 175.35 174.33 1yqe n MET 182 N 7.62 0.85 -0.96 4.03 2.81 -1.26 -4.81 117.12 125.39 1yqe n MET 182 Ca 0.18 -2.37 -0.02 0.00 -1.81 0.00 0.00 57.70 53.68 1yqe n MET 182 Cb 0.46 -1.01 0.16 0.00 -0.71 0.00 0.00 33.22 32.11 1yqe n MET 182 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1yqe n ASP 183 N -0.64 2.53 -4.77 7.83 5.75 -1.26 -4.96 116.55 121.04 1yqe n ASP 183 Ca 0.12 -3.87 -0.36 0.00 -0.01 0.00 0.00 54.79 50.67 1yqe n ASP 183 Cb 0.78 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1yqe n ASP 183 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1yqe s TRP 184 N -3.33 2.77 0.18 2.11 0.52 -1.26 -4.95 118.94 114.98 1yqe s TRP 184 Ca 0.41 1.54 -0.31 0.00 0.02 0.00 0.00 56.10 57.77 1yqe s TRP 184 Cb 0.38 -3.32 -0.09 0.00 -1.15 0.00 0.00 33.47 29.29 1yqe s TRP 184 CO -0.04 -1.51 1.39 -0.80 0.02 0.00 0.00 176.95 176.01 1yqe s ASN 185 N -1.60 6.78 -0.14 2.95 0.01 -0.58 -4.83 114.94 117.53 1yqe s ASN 185 Ca 0.69 2.47 -0.03 0.00 -0.71 0.00 0.00 52.86 55.27 1yqe s ASN 185 Cb -0.26 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.77 1yqe s ASN 185 CO 0.30 -0.64 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.54 1yqe s VAL 186 N 0.46 3.99 0.11 1.60 1.01 -1.26 -0.19 120.40 126.11 1yqe s VAL 186 Ca 0.61 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1yqe s VAL 186 Cb -0.39 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1yqe s VAL 186 CO 0.37 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.91 1yqe s ALA 187 N 0.13 1.04 -0.12 5.51 0.00 -0.58 -1.60 121.76 126.14 1yqe s ALA 187 Ca -0.01 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 1yqe s ALA 187 Cb -0.13 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1yqe s ALA 187 CO 0.03 -0.23 -0.01 0.08 0.00 0.00 0.00 175.76 175.63 1yqe s VAL 188 N -3.60 4.21 0.01 0.00 1.01 -0.75 -1.50 120.40 119.77 1yqe s VAL 188 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1yqe s VAL 188 Cb 0.05 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1yqe s VAL 188 CO -0.04 0.55 0.06 -0.83 0.00 0.00 0.00 175.10 174.84 1yqe s GLY 189 N -0.35 1.98 -0.09 4.51 0.00 -0.36 -1.28 107.32 111.74 1yqe s GLY 189 Ca 0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1yqe s GLY 189 CO 0.02 -0.79 -0.03 0.14 0.00 0.00 0.00 173.10 172.44 1yqe s VAL 190 N -1.19 0.63 0.00 1.40 1.01 -0.38 -0.88 120.40 120.99 1yqe s VAL 190 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1yqe s VAL 190 Cb -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1yqe s VAL 190 CO 0.14 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1yqe n GLY 191 N 5.07 2.80 0.00 4.51 0.00 0.32 -1.94 105.19 115.95 1yqe n GLY 191 Ca -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1yqe n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yqe n GLY 192 N -0.25 1.72 3.91 -0.02 0.00 -1.26 -4.60 105.19 104.69 1yqe n GLY 192 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1yqe n GLY 192 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yqe s THR 193 N -2.24 2.00 0.62 2.61 -4.23 -1.26 -0.83 115.64 112.31 1yqe s THR 193 Ca 0.00 -0.01 0.29 0.00 -1.18 0.00 0.00 61.69 60.79 1yqe s THR 193 Cb 0.00 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.18 1yqe s THR 193 CO 0.00 0.00 1.90 1.12 -0.54 0.00 0.00 174.62 177.10 1yqe h HIS 194 N -1.27 0.00 -0.64 3.99 -0.00 -1.97 0.56 115.15 115.81 1yqe h HIS 194 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1yqe h HIS 194 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 1yqe h HIS 194 CO -0.25 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.34 1yqe n TYR 195 N -3.39 1.49 -2.70 6.12 4.01 -1.26 -1.80 117.16 119.63 1yqe n TYR 195 Ca 0.04 -0.59 -0.15 0.00 -0.16 0.00 0.00 57.90 57.04 1yqe n TYR 195 Cb 0.55 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 1yqe n TYR 195 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yqe n ALA 196 N 1.11 -1.75 0.00 -0.72 0.00 0.19 -4.11 120.51 115.23 1yqe n ALA 196 Ca 0.25 -0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1yqe n ALA 196 Cb 0.88 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 1yqe n ALA 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1yqe h PRO 197 N 0.66 -0.08 0.03 0.00 0.11 -1.91 -0.20 132.00 130.60 1yqe h PRO 197 Ca -0.29 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1yqe h PRO 197 Cb 0.67 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1yqe h PRO 197 CO 0.15 -0.06 -0.01 0.00 -0.21 0.00 0.00 178.00 177.87 1yqe h ARG 198 N -0.09 -0.04 -0.60 1.05 2.47 -1.96 -2.14 114.38 113.07 1yqe h ARG 198 Ca 0.07 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1yqe h ARG 198 Cb 0.19 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1yqe h ARG 198 CO -0.16 0.05 0.40 1.96 0.56 0.00 0.00 179.97 182.78 1yqe h GLN 199 N -0.12 0.75 -0.48 0.04 7.50 -1.90 -0.71 115.11 120.20 1yqe h GLN 199 Ca -0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.07 1yqe h GLN 199 Cb 0.11 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.45 1yqe h GLN 199 CO 0.01 0.49 0.16 1.15 -1.50 0.00 0.00 178.83 179.14 1yqe h THR 200 N 0.77 1.22 -0.56 -0.54 2.02 -0.74 0.54 112.91 115.63 1yqe h THR 200 Ca 0.23 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1yqe h THR 200 Cb -0.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1yqe h THR 200 CO -0.06 0.26 0.03 -0.33 0.37 0.00 0.00 175.52 175.79 1yqe h GLU 201 N 0.63 0.94 -0.59 6.66 5.08 -0.71 -1.74 114.58 124.85 1yqe h GLU 201 Ca 0.16 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1yqe h GLU 201 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1yqe h GLU 201 CO -0.01 0.91 0.03 0.82 -1.00 0.00 0.00 179.01 179.76 1yqe h ILE 202 N 0.87 1.26 -0.43 3.13 2.04 -0.81 -1.17 117.51 122.40 1yqe h ILE 202 Ca 0.17 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 1yqe h ILE 202 Cb 0.48 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1yqe h ILE 202 CO 0.02 0.40 -0.06 0.24 0.00 0.00 0.00 178.15 178.75 1yqe h MET 203 N 0.93 0.74 0.00 2.37 2.86 -0.50 -2.02 114.93 119.31 1yqe h MET 203 Ca 0.17 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1yqe h MET 203 Cb 0.50 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1yqe h MET 203 CO 0.02 0.79 -0.66 -0.07 1.06 0.00 0.00 176.91 178.05 1yqe h LEU 204 N 0.68 0.00 -0.67 1.22 3.38 -1.08 -3.41 115.31 115.43 1yqe h LEU 204 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1yqe h LEU 204 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1yqe h LEU 204 CO 0.03 0.30 0.00 0.35 0.09 0.00 0.00 178.44 179.21 1yqe n THR 205 N -3.03 0.03 -4.49 0.22 -2.24 -0.47 -5.02 114.28 99.29 1yqe n THR 205 Ca -0.00 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1yqe n THR 205 Cb 0.67 1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 70.23 1yqe n THR 205 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yqe n THR 206 N -0.01 0.00 -0.05 4.28 -2.24 -0.76 -0.82 114.28 114.67 1yqe n THR 206 Ca 0.00 -1.68 0.07 0.00 -2.27 0.00 0.00 64.05 60.16 1yqe n THR 206 Cb 0.11 0.40 0.27 0.00 -2.10 0.00 0.00 70.33 69.01 1yqe n THR 206 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yqe n THR 207 N -0.83 1.38 -4.12 4.28 -2.24 -0.20 -4.68 114.28 107.87 1yqe n THR 207 Ca -0.12 -0.87 -0.33 0.00 -2.27 0.00 0.00 64.05 60.47 1yqe n THR 207 Cb 0.45 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 1yqe n THR 207 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1yqe s PHE 208 N -1.80 3.25 0.31 4.78 0.40 -1.26 -1.52 117.98 122.13 1yqe s PHE 208 Ca 0.38 0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 1yqe s PHE 208 Cb 0.25 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.01 1yqe s PHE 208 CO 0.18 0.54 0.09 -0.08 0.70 0.00 0.00 175.22 176.64 1yqe s THR 209 N -1.21 0.84 0.16 0.64 -1.32 0.73 -4.39 115.64 111.10 1yqe s THR 209 Ca 0.23 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.79 1yqe s THR 209 Cb -0.12 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1yqe s THR 209 CO 0.15 0.00 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.03 1yqe s PHE 210 N -3.46 1.71 0.00 9.09 0.08 -1.26 -1.53 117.98 122.61 1yqe s PHE 210 Ca 0.35 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1yqe s PHE 210 Cb 0.07 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.67 1yqe s PHE 210 CO 0.15 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 1yqe n GLY 211 N 0.23 -0.27 3.79 4.36 0.00 -0.56 -4.31 105.19 108.43 1yqe n GLY 211 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1yqe n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yqe s HIS 212 N 0.00 3.04 -0.07 1.61 3.76 -1.26 -4.64 115.29 117.74 1yqe s HIS 212 Ca 0.00 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 1yqe s HIS 212 Cb 0.00 -1.38 0.03 0.00 1.11 0.00 0.00 32.58 32.34 1yqe s HIS 212 CO 0.00 0.54 0.16 -0.80 -0.85 0.00 0.00 174.74 173.78 1yqe s ASN 213 N -3.73 -0.14 -0.18 1.40 0.01 -1.26 -1.22 114.94 109.82 1yqe s ASN 213 Ca 0.32 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 1yqe s ASN 213 Cb -0.08 0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.84 1yqe s ASN 213 CO 0.24 -0.12 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.17 1yqe s PHE 214 N 0.81 2.79 0.80 2.20 0.08 -0.06 -0.38 117.98 124.22 1yqe s PHE 214 Ca -0.06 -1.51 -0.11 0.00 0.12 0.00 0.00 56.93 55.37 1yqe s PHE 214 Cb -0.08 -1.93 0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1yqe s PHE 214 CO -0.04 -0.75 1.10 0.00 -0.10 0.00 0.00 175.22 175.43 1yqe s ALA 215 N 1.26 2.10 0.53 5.36 0.00 -1.26 -0.52 121.76 129.23 1yqe s ALA 215 Ca 0.04 0.27 0.24 0.00 0.00 0.00 0.00 51.96 52.50 1yqe s ALA 215 Cb -0.13 -3.28 1.39 0.00 0.00 0.00 0.00 23.12 21.09 1yqe s ALA 215 CO -0.10 -1.93 2.03 -0.22 0.00 0.00 0.00 175.76 175.54 1yqe h LYS 216 N -1.25 0.00 0.00 0.00 3.64 -1.24 -0.42 116.57 117.31 1yqe h LYS 216 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1yqe h LYS 216 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1yqe h LYS 216 CO 0.51 0.00 0.00 2.48 -2.27 0.00 0.00 179.45 180.17 1yqe n TYR 217 N -4.37 0.00 0.96 1.91 0.18 -1.26 -2.18 117.16 112.39 1yqe n TYR 217 Ca 0.07 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.95 1yqe n TYR 217 Cb 0.50 -0.41 -0.08 0.00 -0.38 0.00 0.00 39.34 38.98 1yqe n TYR 217 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1yqe n THR 218 N -1.41 0.00 -0.28 -3.48 -2.24 -0.17 -4.65 114.28 102.06 1yqe n THR 218 Ca 0.05 -0.02 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1yqe n THR 218 Cb 0.13 0.87 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1yqe n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1yqe h PHE 219 N 0.00 -0.61 0.00 4.78 0.04 -1.52 -0.74 116.94 118.89 1yqe h PHE 219 Ca 0.00 0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1yqe h PHE 219 Cb 0.52 0.39 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 1yqe h PHE 219 CO 0.00 -0.36 -0.02 0.93 -0.60 0.00 0.00 178.31 178.26 1yqe h GLU 220 N -0.03 0.00 -0.01 1.51 3.07 -1.83 -2.79 114.58 114.50 1yqe h GLU 220 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1yqe h GLU 220 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1yqe h GLU 220 CO -0.82 0.02 -0.54 0.72 -1.40 0.00 0.00 179.01 176.99 1yqe n HIS 221 N -3.20 0.00 -2.73 4.33 8.25 -0.34 -4.97 115.22 116.56 1yqe n HIS 221 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1yqe n HIS 221 Cb 0.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1yqe n HIS 221 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yqe s LEU 222 N -2.45 4.14 0.18 2.41 1.43 -0.89 -4.75 118.68 118.76 1yqe s LEU 222 Ca 0.14 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 55.12 1yqe s LEU 222 Cb 0.15 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.07 1yqe s LEU 222 CO 0.57 -0.29 -0.10 0.42 0.23 0.00 0.00 176.35 177.18 1yqe s THR 223 N -1.83 1.38 0.27 5.49 -4.23 -1.26 -5.03 115.64 110.42 1yqe s THR 223 Ca 0.57 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1yqe s THR 223 Cb -0.16 -2.01 0.23 0.00 1.34 0.00 0.00 72.50 71.90 1yqe s THR 223 CO 0.21 -0.62 1.92 0.00 -0.54 0.00 0.00 174.62 175.59 1yqe h ALA 224 N 2.64 1.31 -0.28 3.99 0.00 -1.98 -2.00 119.26 122.93 1yqe h ALA 224 Ca -0.37 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1yqe h ALA 224 Cb 1.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1yqe h ALA 224 CO 0.63 0.59 -0.30 1.49 0.00 0.00 0.00 179.25 181.66 1yqe h GLU 225 N 1.14 0.59 -0.52 0.00 4.57 -1.96 -1.65 114.58 116.74 1yqe h GLU 225 Ca 0.29 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1yqe h GLU 225 Cb -0.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1yqe h GLU 225 CO -0.05 0.82 0.06 0.35 -1.18 0.00 0.00 179.01 179.01 1yqe h PHE 226 N 0.51 0.95 -0.47 0.92 3.57 -1.86 -1.65 116.94 118.91 1yqe h PHE 226 Ca 0.06 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1yqe h PHE 226 Cb 0.77 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1yqe h PHE 226 CO 0.03 0.86 0.10 -0.07 -2.23 0.00 0.00 178.31 177.00 1yqe h LEU 227 N 0.77 0.66 -0.73 0.59 3.38 -1.12 -1.33 115.31 117.53 1yqe h LEU 227 Ca 0.16 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1yqe h LEU 227 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1yqe h LEU 227 CO 0.02 0.67 0.16 0.58 0.09 0.00 0.00 178.44 179.95 1yqe h VAL 228 N 0.68 1.26 -0.75 1.22 2.07 -0.95 -0.84 116.25 118.95 1yqe h VAL 228 Ca 0.15 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1yqe h VAL 228 Cb 0.28 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1yqe h VAL 228 CO 0.00 0.38 0.35 0.50 0.02 0.00 0.00 177.57 178.82 1yqe h LYS 229 N 1.07 1.09 -0.27 1.57 3.64 -0.69 -1.08 116.57 121.89 1yqe h LYS 229 Ca 0.22 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1yqe h LYS 229 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1yqe h LYS 229 CO 0.00 0.86 0.07 0.00 -2.27 0.00 0.00 179.45 178.11 1yqe h ALA 230 N 1.18 0.36 -0.01 5.00 0.00 -0.87 -0.84 119.26 124.08 1yqe h ALA 230 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yqe h ALA 230 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yqe h ALA 230 CO -0.03 0.02 0.01 0.28 0.00 0.00 0.00 179.25 179.53 1yqe h VAL 231 N 0.27 1.02 -0.67 0.00 2.07 -0.96 0.54 116.25 118.52 1yqe h VAL 231 Ca 0.09 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1yqe h VAL 231 Cb 0.29 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1yqe h VAL 231 CO 0.00 0.02 0.17 0.11 0.02 0.00 0.00 177.57 177.89 1yqe h LYS 232 N -0.01 1.06 -0.65 1.57 1.57 -1.19 0.06 116.57 118.98 1yqe h LYS 232 Ca 0.00 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1yqe h LYS 232 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1yqe h LYS 232 CO -0.00 0.93 0.06 1.25 -0.57 0.00 0.00 179.45 181.12 1yqe h LEU 233 N 1.01 1.06 -0.10 2.94 5.85 -0.96 -2.57 115.31 122.54 1yqe h LEU 233 Ca 0.21 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1yqe h LEU 233 Cb 0.34 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1yqe h LEU 233 CO -0.00 1.07 0.00 -1.20 -0.34 0.00 0.00 178.44 177.97 1yqe n SER 234 N -4.20 0.56 -2.47 1.25 7.64 0.16 -4.48 113.62 112.09 1yqe n SER 234 Ca 0.04 0.57 -0.19 0.00 1.01 0.00 0.00 58.87 60.30 1yqe n SER 234 Cb 0.32 -0.71 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 1yqe n SER 234 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1yqe n GLU 235 N -2.04 -3.59 -2.82 1.43 1.02 -0.10 -4.85 120.64 109.68 1yqe n GLU 235 Ca 0.05 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.65 1yqe n GLU 235 Cb 0.37 -5.36 -0.07 0.00 -0.02 0.00 0.00 31.44 26.36 1yqe n GLU 235 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yqe s ALA 236 N -3.04 3.12 -1.06 0.62 0.00 -0.56 -4.83 121.76 116.00 1yqe s ALA 236 Ca 0.20 0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1yqe s ALA 236 Cb -0.09 -3.14 0.15 0.00 0.00 0.00 0.00 23.12 20.04 1yqe s ALA 236 CO 0.25 0.16 0.97 0.39 0.00 0.00 0.00 175.76 177.52 1yqe n GLU 237 N -0.19 1.32 -3.75 0.00 -0.58 -0.63 -4.81 120.64 112.00 1yqe n GLU 237 Ca 0.05 -1.42 -0.10 0.00 -0.42 0.00 0.00 57.16 55.27 1yqe n GLU 237 Cb 0.53 -1.20 -0.06 0.00 -0.57 0.00 0.00 31.44 30.13 1yqe n GLU 237 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1yqe s TYR 238 N -0.88 -0.02 -0.11 -0.32 2.02 -1.13 -2.55 117.35 114.35 1yqe s TYR 238 Ca 0.15 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 1yqe s TYR 238 Cb 0.09 0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.78 1yqe s TYR 238 CO 0.13 -0.64 -0.13 0.42 -1.57 0.00 0.00 175.55 173.76 1yqe s ILE 239 N -3.84 1.36 -0.13 2.71 1.01 -0.55 -1.80 121.20 119.97 1yqe s ILE 239 Ca 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1yqe s ILE 239 Cb 0.03 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1yqe s ILE 239 CO -0.11 0.42 0.02 -0.63 0.00 0.00 0.00 174.94 174.64 1yqe s ILE 240 N 1.22 4.41 0.05 2.92 1.01 -0.41 -1.20 121.20 129.21 1yqe s ILE 240 Ca -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.50 1yqe s ILE 240 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1yqe s ILE 240 CO -0.04 0.54 -0.11 0.27 0.00 0.00 0.00 174.94 175.60 1yqe s ILE 241 N -0.25 3.31 -0.91 2.92 -4.36 -0.58 -1.25 121.20 120.07 1yqe s ILE 241 Ca 0.06 -1.08 -0.19 0.00 -0.26 0.00 0.00 60.65 59.19 1yqe s ILE 241 Cb -0.12 -2.47 0.13 0.00 1.25 0.00 0.00 42.46 41.25 1yqe s ILE 241 CO 0.02 0.27 1.10 -0.62 0.24 0.00 0.00 174.94 175.94 1yqe s ASP 242 N -1.74 6.62 0.60 4.36 -1.08 -0.82 -1.54 116.67 123.08 1yqe s ASP 242 Ca 0.18 -2.05 0.19 0.00 -0.52 0.00 0.00 52.55 50.35 1yqe s ASP 242 Cb -0.11 -2.39 1.02 0.00 -1.46 0.00 0.00 42.92 39.99 1yqe s ASP 242 CO 0.09 -1.04 1.55 1.05 0.52 0.00 0.00 175.17 177.34 1yqe h GLU 243 N 8.79 0.00 -0.00 4.34 9.09 -1.91 0.61 114.58 135.50 1yqe h GLU 243 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1yqe h GLU 243 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 1yqe h GLU 243 CO 1.09 0.00 -0.73 1.17 0.05 0.00 0.00 179.01 180.58 1yqe n LYS 244 N -2.62 0.07 -0.10 1.06 4.81 -1.26 -4.43 118.16 115.69 1yqe n LYS 244 Ca -0.01 -0.05 -0.16 0.00 -0.87 0.00 0.00 58.31 57.22 1yqe n LYS 244 Cb 0.54 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.01 1yqe n LYS 244 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yqe n SER 245 N -1.42 2.22 -4.77 3.14 2.88 0.20 -5.00 113.62 110.87 1yqe n SER 245 Ca 0.05 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.19 1yqe n SER 245 Cb 0.34 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1yqe n SER 245 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1yqe s VAL 246 N -2.38 3.07 0.46 2.46 -7.23 -0.55 -4.84 120.40 111.39 1yqe s VAL 246 Ca -0.27 0.98 0.08 0.00 -1.81 0.00 0.00 61.98 60.96 1yqe s VAL 246 Cb 0.08 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.44 1yqe s VAL 246 CO 0.42 0.16 0.48 0.54 -0.31 0.00 0.00 175.10 176.39 1yqe s ASN 247 N -0.90 5.12 0.53 4.85 2.20 -1.26 -4.93 114.94 120.55 1yqe s ASN 247 Ca 0.53 -0.77 0.19 0.00 -0.94 0.00 0.00 52.86 51.87 1yqe s ASN 247 Cb -0.34 -0.32 1.36 0.00 -2.00 0.00 0.00 41.25 39.96 1yqe s ASN 247 CO 0.43 -0.84 2.15 0.77 -2.94 0.00 0.00 177.10 176.68 1yqe h SER 248 N 0.79 0.00 -0.03 3.54 4.64 -1.98 -1.01 113.55 119.49 1yqe h SER 248 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1yqe h SER 248 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1yqe h SER 248 CO 0.52 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1yqe h ALA 249 N 1.98 0.05 -0.01 5.18 0.00 -2.01 -2.42 119.26 122.02 1yqe h ALA 249 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1yqe h ALA 249 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1yqe h ALA 249 CO 0.00 -0.29 -0.60 -0.24 0.00 0.00 0.00 179.25 178.13 1yqe h VAL 250 N -0.23 1.42 0.00 0.00 3.04 -1.84 -2.75 116.25 115.88 1yqe h VAL 250 Ca 0.01 -2.03 -0.04 0.00 -1.01 0.00 0.00 66.70 63.63 1yqe h VAL 250 Cb 0.32 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1yqe h VAL 250 CO 0.00 0.58 -0.20 0.11 -1.01 0.00 0.00 177.57 177.06 1yqe h LYS 251 N 0.04 0.00 -0.11 4.17 1.57 -1.11 -0.73 116.57 120.39 1yqe h LYS 251 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1yqe h LYS 251 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1yqe h LYS 251 CO 0.08 0.20 0.01 -0.22 -0.57 0.00 0.00 179.45 178.95 1yqe h LYS 252 N 0.00 0.20 0.00 3.15 3.64 -1.13 -0.70 116.57 121.73 1yqe h LYS 252 Ca -0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1yqe h LYS 252 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1yqe h LYS 252 CO 0.03 0.42 -0.49 -0.84 -2.27 0.00 0.00 179.45 176.29 1yqe h ILE 253 N -0.05 1.28 -0.06 2.00 3.07 -1.47 -0.54 117.51 121.74 1yqe h ILE 253 Ca 0.03 -1.73 -0.01 0.00 1.55 0.00 0.00 64.86 64.71 1yqe h ILE 253 Cb 0.33 1.95 -0.00 0.00 -0.27 0.00 0.00 36.82 38.83 1yqe h ILE 253 CO 0.00 0.48 0.02 0.58 -1.05 0.00 0.00 178.15 178.18 1yqe h VAL 254 N 0.00 1.18 -0.58 0.16 2.07 -0.96 -0.05 116.25 118.07 1yqe h VAL 254 Ca -0.00 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1yqe h VAL 254 Cb 0.91 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1yqe h VAL 254 CO 0.06 0.15 0.23 0.78 0.02 0.00 0.00 177.57 178.82 1yqe h ASN 255 N -0.12 0.77 0.06 0.57 -0.26 -0.90 1.00 115.58 116.70 1yqe h ASN 255 Ca 0.02 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1yqe h ASN 255 Cb 0.23 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1yqe h ASN 255 CO -0.00 0.69 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.70 1yqe h GLU 256 N 0.84 -0.08 -0.72 0.81 5.08 -0.86 -1.70 114.58 117.94 1yqe h GLU 256 Ca 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1yqe h GLU 256 Cb 0.16 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1yqe h GLU 256 CO -0.02 0.01 0.43 0.00 -1.00 0.00 0.00 179.01 178.44 1yqe h ALA 257 N 0.79 0.92 -0.55 3.43 0.00 -0.52 -1.62 119.26 121.71 1yqe h ALA 257 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1yqe h ALA 257 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1yqe h ALA 257 CO 0.01 0.40 0.35 0.00 0.00 0.00 0.00 179.25 180.01 1yqe h ALA 258 N 1.23 0.71 -0.12 0.00 0.00 -0.64 -0.78 119.26 119.65 1yqe h ALA 258 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1yqe h ALA 258 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1yqe h ALA 258 CO -0.05 0.09 0.04 0.93 0.00 0.00 0.00 179.25 180.26 1yqe h GLU 259 N 0.70 0.19 -0.60 0.00 5.08 -0.94 0.19 114.58 119.19 1yqe h GLU 259 Ca 0.21 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1yqe h GLU 259 Cb -0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1yqe h GLU 259 CO -0.07 0.33 0.17 0.28 -1.00 0.00 0.00 179.01 178.72 1yqe h VAL 260 N 0.01 1.23 0.00 3.13 2.07 -1.13 -2.75 116.25 118.81 1yqe h VAL 260 Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1yqe h VAL 260 Cb 0.22 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1yqe h VAL 260 CO -0.00 0.31 -0.50 0.00 0.02 0.00 0.00 177.57 177.40 1yqe n ALA 261 N -2.46 3.27 -2.82 1.67 0.00 -0.31 -4.97 120.51 114.89 1yqe n ALA 261 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1yqe n ALA 261 Cb 0.22 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1yqe n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yqe n GLY 262 N 1.45 0.26 3.57 0.00 0.00 0.50 -5.05 105.19 105.93 1yqe n GLY 262 Ca 0.05 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1yqe n GLY 262 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yqe s VAL 263 N -3.01 2.44 -0.08 1.61 -7.23 -0.22 -5.03 120.40 108.88 1yqe s VAL 263 Ca 0.21 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.14 1yqe s VAL 263 Cb -0.09 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1yqe s VAL 263 CO 0.25 -0.23 0.23 -0.70 -0.31 0.00 0.00 175.10 174.34 1yqe s GLU 264 N -3.64 3.61 -0.15 4.82 2.12 -1.06 -4.53 118.70 119.87 1yqe s GLU 264 Ca 0.33 0.05 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 1yqe s GLU 264 Cb 0.00 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 1yqe s GLU 264 CO 0.17 0.74 0.33 0.08 -0.54 0.00 0.00 175.26 176.04 1yqe s VAL 265 N -1.01 5.28 -0.00 3.70 1.01 -1.26 -1.48 120.40 126.65 1yqe s VAL 265 Ca 0.18 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1yqe s VAL 265 Cb -0.14 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1yqe s VAL 265 CO 0.07 0.37 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 1yqe s LEU 266 N 0.51 2.05 0.28 3.92 1.43 -0.34 -4.96 118.68 121.57 1yqe s LEU 266 Ca 0.18 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 1yqe s LEU 266 Cb -0.13 -0.67 -0.09 0.00 0.03 0.00 0.00 46.19 45.32 1yqe s LEU 266 CO 0.05 0.14 0.95 -0.54 0.23 0.00 0.00 176.35 177.18 1yqe s LYS 267 N -0.45 4.71 0.40 1.70 1.02 -1.26 -1.53 119.74 124.32 1yqe s LYS 267 Ca 0.04 1.43 0.13 0.00 0.02 0.00 0.00 55.97 57.59 1yqe s LYS 267 Cb -0.06 -3.04 0.95 0.00 -0.52 0.00 0.00 37.83 35.17 1yqe s LYS 267 CO -0.00 0.38 1.92 0.66 -0.92 0.00 0.00 175.35 177.38 1yqe h SER 268 N 3.65 0.49 -0.50 2.83 4.64 -1.65 -1.28 113.55 121.73 1yqe h SER 268 Ca -0.46 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 1yqe h SER 268 Cb 1.20 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1yqe h SER 268 CO 0.66 0.26 -0.06 0.50 -0.87 0.00 0.00 176.83 177.33 1yqe h LYS 269 N 0.53 0.96 -0.53 4.77 3.64 -1.92 -1.45 116.57 122.57 1yqe h LYS 269 Ca 0.38 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1yqe h LYS 269 Cb 0.72 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1yqe h LYS 269 CO -0.14 0.98 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.71 1yqe h LYS 270 N 0.87 0.98 -0.15 1.90 3.64 -1.64 -2.05 116.57 120.12 1yqe h LYS 270 Ca 0.15 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1yqe h LYS 270 Cb 0.59 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1yqe h LYS 270 CO 0.04 1.02 0.06 0.28 -2.27 0.00 0.00 179.45 178.57 1yqe h VAL 271 N 0.87 1.16 -0.12 2.00 2.07 -1.19 0.10 116.25 121.14 1yqe h VAL 271 Ca 0.14 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1yqe h VAL 271 Cb 0.65 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1yqe h VAL 271 CO 0.04 0.15 0.05 0.11 0.02 0.00 0.00 177.57 177.94 1yqe h LYS 272 N 0.08 0.16 0.08 1.57 1.57 -1.17 -1.74 116.57 117.12 1yqe h LYS 272 Ca 0.05 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.59 1yqe h LYS 272 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1yqe h LYS 272 CO -0.00 0.14 -1.18 -0.22 -0.57 0.00 0.00 179.45 177.61 1yqe h LYS 273 N 0.16 0.17 -0.01 3.15 3.64 -1.05 -3.39 116.57 119.24 1yqe h LYS 273 Ca 0.04 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1yqe h LYS 273 Cb 0.04 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1yqe h LYS 273 CO -0.01 1.14 -0.18 -0.25 -2.27 0.00 0.00 179.45 177.88 1yqe n ASP 274 N -4.11 1.42 -1.76 4.20 8.00 0.33 -4.39 116.55 120.25 1yqe n ASP 274 Ca -0.24 -1.22 -0.05 0.00 0.71 0.00 0.00 54.79 53.98 1yqe n ASP 274 Cb 0.80 0.12 0.08 0.00 -0.02 0.00 0.00 41.12 42.10 1yqe n ASP 274 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1yqe n PHE 275 N -0.19 1.18 -1.53 1.24 3.72 -0.66 -5.05 117.46 116.18 1yqe n PHE 275 Ca 0.14 -1.69 -0.33 0.00 -0.05 0.00 0.00 57.45 55.52 1yqe n PHE 275 Cb 0.38 -0.26 0.07 0.00 -0.94 0.00 0.00 39.48 38.74 1yqe n PHE 275 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1yqe s ARG 276 N -2.88 2.43 -0.34 -1.08 0.52 -1.26 -1.03 118.95 115.31 1yqe s ARG 276 Ca 0.39 1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 56.91 1yqe s ARG 276 Cb 0.37 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.93 1yqe s ARG 276 CO -0.05 -1.55 0.32 -0.51 0.02 0.00 0.00 175.30 173.53 1yqe s LEU 277 N -5.22 4.45 0.00 2.53 1.43 -0.00 -4.67 118.68 117.20 1yqe s LEU 277 Ca 0.68 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1yqe s LEU 277 Cb -0.22 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1yqe s LEU 277 CO 0.46 -0.29 0.00 1.33 0.23 0.00 0.00 176.35 178.07