#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqm s SER 2 N 0.00 -0.27 -0.13 1.61 0.15 -1.26 -5.16 113.70 108.63 2yqm s SER 2 Ca 0.00 0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.74 2yqm s SER 2 Cb 0.00 1.22 0.06 0.00 -1.71 0.00 0.00 66.02 65.59 2yqm s SER 2 CO 0.00 -0.05 0.30 -0.55 1.20 0.00 0.00 173.24 174.14 2yqm s SER 3 N 2.97 -0.19 0.00 5.45 0.15 -1.26 -5.14 113.70 115.68 2yqm s SER 3 Ca -0.02 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2yqm s SER 3 Cb -0.08 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2yqm s SER 3 CO -0.10 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2yqm n GLY 4 N 4.59 2.00 3.24 9.45 0.00 -1.26 -5.10 105.19 118.10 2yqm n GLY 4 Ca -0.19 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2yqm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqm s SER 5 N 2.00 5.97 -0.35 1.61 0.01 -1.26 -4.99 113.70 116.69 2yqm s SER 5 Ca 0.00 -2.24 -0.00 0.00 1.31 0.00 0.00 55.95 55.02 2yqm s SER 5 Cb 0.00 -2.07 0.13 0.00 0.21 0.00 0.00 66.02 64.29 2yqm s SER 5 CO 0.00 -0.64 0.19 -0.94 0.41 0.00 0.00 173.24 172.26 2yqm s SER 6 N 2.38 3.29 0.00 2.44 1.04 -1.26 -5.12 113.70 116.47 2yqm s SER 6 Ca 0.10 -2.04 0.00 0.00 0.48 0.00 0.00 55.95 54.49 2yqm s SER 6 Cb -0.22 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2yqm s SER 6 CO -0.03 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2yqm n GLY 7 N 4.26 6.10 3.77 7.32 0.00 -1.26 -5.12 105.19 120.25 2yqm n GLY 7 Ca 0.07 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2yqm n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yqm s ILE 8 N -0.29 2.68 -0.11 -0.61 1.09 -1.26 -5.03 121.20 117.67 2yqm s ILE 8 Ca 0.00 0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 60.14 2yqm s ILE 8 Cb 0.00 -3.42 0.04 0.00 -1.06 0.00 0.00 42.46 38.02 2yqm s ILE 8 CO 0.00 0.15 0.27 -0.75 -0.10 0.00 0.00 174.94 174.51 2yqm s LYS 9 N -1.52 0.26 -0.01 2.79 2.20 -1.26 -5.16 119.74 117.04 2yqm s LYS 9 Ca 0.51 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2yqm s LYS 9 Cb -0.40 -0.03 -0.00 0.00 -1.51 0.00 0.00 37.83 35.89 2yqm s LYS 9 CO 0.52 -0.12 -0.06 -1.83 -0.36 0.00 0.00 175.35 173.49 2yqm s GLU 10 N 0.94 0.49 -0.20 4.03 4.04 -1.26 -5.15 118.70 121.59 2yqm s GLU 10 Ca -0.07 -0.20 -0.27 0.00 0.04 0.00 0.00 54.97 54.47 2yqm s GLU 10 Cb -0.08 -0.48 0.09 0.00 0.02 0.00 0.00 34.13 33.69 2yqm s GLU 10 CO -0.06 0.11 0.84 0.54 -1.84 0.00 0.00 175.26 174.85 2yqm s VAL 11 N -0.07 0.00 -0.01 1.83 0.11 -1.26 -5.18 120.40 115.82 2yqm s VAL 11 Ca 0.01 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.84 2yqm s VAL 11 Cb -0.03 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2yqm s VAL 11 CO -0.00 0.00 0.49 0.54 -3.33 0.00 0.00 175.10 172.79 2yqm s ASN 12 N -0.30 -0.40 -0.31 3.54 2.20 -1.26 -5.05 114.94 113.35 2yqm s ASN 12 Ca -0.02 0.30 0.08 0.00 -0.94 0.00 0.00 52.86 52.27 2yqm s ASN 12 Cb -0.03 0.44 0.52 0.00 -2.00 0.00 0.00 41.25 40.17 2yqm s ASN 12 CO 0.01 -0.58 1.50 0.00 -2.94 0.00 0.00 177.10 175.09 2yqm n GLN 13 N 0.88 1.95 -3.97 3.55 6.02 -1.26 -4.98 117.38 119.56 2yqm n GLN 13 Ca -0.20 -3.23 -0.10 0.00 -0.01 0.00 0.00 57.00 53.46 2yqm n GLN 13 Cb 0.58 -1.87 -0.12 0.00 1.02 0.00 0.00 30.24 29.85 2yqm n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yqm s ALA 14 N -3.29 0.15 -0.29 -1.58 0.00 -1.26 -5.13 121.76 110.35 2yqm s ALA 14 Ca 0.46 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 2yqm s ALA 14 Cb 0.42 0.10 0.19 0.00 0.00 0.00 0.00 23.12 23.83 2yqm s ALA 14 CO 0.00 -0.11 0.79 -0.51 0.00 0.00 0.00 175.76 175.93 2yqm s LEU 15 N -1.13 -1.09 -0.02 0.00 1.43 -1.26 -5.16 118.68 111.45 2yqm s LEU 15 Ca -0.12 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2yqm s LEU 15 Cb -0.08 1.73 0.01 0.00 0.03 0.00 0.00 46.19 47.88 2yqm s LEU 15 CO -0.01 -0.20 -0.05 -0.75 0.23 0.00 0.00 176.35 175.57 2yqm s LYS 16 N 2.89 0.58 0.00 1.70 2.36 -1.26 -5.03 119.74 120.98 2yqm s LYS 16 Ca 0.16 -0.16 0.00 0.00 -2.55 0.00 0.00 55.97 53.42 2yqm s LYS 16 Cb -0.08 -0.59 0.00 0.00 -1.05 0.00 0.00 37.83 36.12 2yqm s LYS 16 CO -0.23 0.05 0.00 0.41 1.55 0.00 0.00 175.35 177.13 2yqm n GLY 17 N 3.35 -0.82 3.03 5.54 0.00 -1.26 -5.17 105.19 109.86 2yqm n GLY 17 Ca -0.18 0.34 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2yqm n GLY 17 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yqm s HIS 18 N 0.00 0.69 -0.30 1.61 3.76 -1.26 -5.13 115.29 114.66 2yqm s HIS 18 Ca 0.00 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2yqm s HIS 18 Cb 0.00 -0.42 0.19 0.00 1.11 0.00 0.00 32.58 33.46 2yqm s HIS 18 CO 0.00 -0.03 0.68 0.00 -0.85 0.00 0.00 174.74 174.54 2yqm s ALA 19 N -0.74 -2.49 0.57 -1.40 0.00 -1.26 -5.16 121.76 111.27 2yqm s ALA 19 Ca -0.03 1.71 -0.20 0.00 0.00 0.00 0.00 51.96 53.44 2yqm s ALA 19 Cb -0.06 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2yqm s ALA 19 CO 0.00 -1.40 1.21 -1.58 0.00 0.00 0.00 175.76 173.99 2yqm s TRP 20 N 2.87 2.46 -0.53 0.00 0.52 -1.26 -4.99 118.94 118.02 2yqm s TRP 20 Ca 0.17 1.50 0.07 0.00 0.02 0.00 0.00 56.10 57.86 2yqm s TRP 20 Cb -0.14 -3.49 0.27 0.00 -1.15 0.00 0.00 33.47 28.96 2yqm s TRP 20 CO -0.20 -2.15 0.68 1.28 0.02 0.00 0.00 176.95 176.59 2yqm n LEU 21 N -1.36 2.34 -0.56 2.99 4.77 -1.26 -4.85 117.00 119.06 2yqm n LEU 21 Ca 0.12 -5.17 0.06 0.00 -0.03 0.00 0.00 56.01 51.00 2yqm n LEU 21 Cb 0.49 -0.09 0.19 0.00 -2.33 0.00 0.00 43.42 41.68 2yqm n LEU 21 CO 0.45 2.11 0.38 1.17 -1.33 0.00 0.00 177.39 180.17 2yqm n LYS 22 N 0.90 1.48 -2.59 3.23 0.00 -1.26 -4.92 118.16 115.00 2yqm n LYS 22 Ca 0.26 -3.15 -0.43 0.00 0.00 0.00 0.00 58.31 54.99 2yqm n LYS 22 Cb 0.47 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.96 2yqm n LYS 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2yqm n ASP 23 N -1.09 5.00 -2.52 3.14 8.00 -1.26 -4.70 116.55 123.11 2yqm n ASP 23 Ca 0.18 -2.99 -0.05 0.00 0.71 0.00 0.00 54.79 52.63 2yqm n ASP 23 Cb 0.70 -1.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.17 2yqm n ASP 23 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2yqm n ASP 24 N 5.66 -0.50 -3.57 -2.24 8.00 -1.26 -5.00 116.55 117.64 2yqm n ASP 24 Ca 0.41 1.26 -0.27 0.00 0.71 0.00 0.00 54.79 56.91 2yqm n ASP 24 Cb 0.41 -5.01 -0.10 0.00 -0.02 0.00 0.00 41.12 36.39 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yqm n GLU 25 N 1.58 0.94 -3.12 -1.24 -0.58 -1.26 -5.01 120.64 111.96 2yqm n GLU 25 Ca -0.40 -3.74 0.03 0.00 -0.42 0.00 0.00 57.16 52.64 2yqm n GLU 25 Cb 0.61 -1.89 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yqm s ALA 26 N -0.72 -2.94 -0.12 0.62 0.00 -1.26 -5.01 121.76 112.32 2yqm s ALA 26 Ca 0.31 0.84 0.19 0.00 0.00 0.00 0.00 51.96 53.29 2yqm s ALA 26 Cb 0.02 -2.73 -0.27 0.00 0.00 0.00 0.00 23.12 20.15 2yqm s ALA 26 CO -0.17 -2.11 0.23 0.25 0.00 0.00 0.00 175.76 173.96 2yqm n THR 27 N 4.77 0.75 -4.59 0.00 -2.24 -1.26 -5.00 114.28 106.71 2yqm n THR 27 Ca 0.08 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.91 2yqm n THR 27 Cb 0.57 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 2yqm n THR 27 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2yqm s HIS 28 N -2.88 2.43 0.45 4.78 3.76 -1.26 -3.65 115.29 118.93 2yqm s HIS 28 Ca -0.09 -0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 53.90 2yqm s HIS 28 Cb 0.09 -1.77 -0.08 0.00 1.11 0.00 0.00 32.58 31.92 2yqm s HIS 28 CO 0.81 0.39 1.09 0.00 -0.85 0.00 0.00 174.74 176.18 2yqm n ARG 30 N -0.49 2.23 0.00 0.00 3.00 -1.21 -2.83 116.66 117.36 2yqm n ARG 30 Ca 0.07 -2.34 0.00 0.00 -0.00 0.00 0.00 57.85 55.58 2yqm n ARG 30 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 31.01 2yqm n ARG 30 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2yqm n GLN 31 N -0.02 0.00 -0.04 -0.14 7.27 -1.26 -4.95 117.38 118.25 2yqm n GLN 31 Ca 0.44 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.50 2yqm n GLN 31 Cb 0.57 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.08 2yqm n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yqm n GLU 33 N -2.67 -6.18 -4.33 0.00 2.13 -1.13 -4.98 120.64 103.48 2yqm n GLU 33 Ca -0.18 0.70 -0.22 0.00 0.66 0.00 0.00 57.16 58.12 2yqm n GLU 33 Cb 0.91 -5.34 -0.11 0.00 0.27 0.00 0.00 31.44 27.17 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2yqm s LYS 34 N -5.66 1.25 0.23 5.31 1.02 -1.26 -4.87 119.74 115.75 2yqm s LYS 34 Ca 0.26 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.60 2yqm s LYS 34 Cb -0.12 -1.35 -0.09 0.00 -0.52 0.00 0.00 37.83 35.75 2yqm s LYS 34 CO 0.61 0.28 1.19 -2.00 -0.92 0.00 0.00 175.35 174.52 2yqm s GLU 35 N -2.61 4.51 -0.07 1.68 2.12 -1.26 -2.46 118.70 120.60 2yqm s GLU 35 Ca 0.14 1.91 -0.30 0.00 0.36 0.00 0.00 54.97 57.08 2yqm s GLU 35 Cb -0.07 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2yqm s GLU 35 CO 0.06 -0.04 1.31 -0.06 -0.54 0.00 0.00 175.26 175.99 2yqm s PHE 36 N -0.43 2.91 0.39 5.30 0.08 -1.24 -4.98 117.98 120.00 2yqm s PHE 36 Ca 0.51 0.97 0.08 0.00 0.12 0.00 0.00 56.93 58.60 2yqm s PHE 36 Cb -0.34 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.51 2yqm s PHE 36 CO 0.40 -1.93 0.14 -1.54 -0.10 0.00 0.00 175.22 172.18 2yqm s SER 37 N 1.87 4.42 0.35 1.36 1.04 -0.91 -4.98 113.70 116.85 2yqm s SER 37 Ca 0.59 -1.01 0.09 0.00 0.48 0.00 0.00 55.95 56.10 2yqm s SER 37 Cb -0.26 -0.53 0.82 0.00 0.10 0.00 0.00 66.02 66.15 2yqm s SER 37 CO 0.22 -0.44 1.85 0.40 0.98 0.00 0.00 173.24 176.24 2yqm h ILE 38 N 1.52 0.80 0.00 -1.02 1.08 -2.01 0.15 117.51 118.03 2yqm h ILE 38 Ca -0.43 -0.24 -0.12 0.00 -0.39 0.00 0.00 64.86 63.69 2yqm h ILE 38 Cb 1.25 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 2yqm h ILE 38 CO 0.68 0.13 -0.56 0.77 -0.69 0.00 0.00 178.15 178.48 2yqm h SER 39 N 0.69 0.00 -4.08 1.72 4.64 -2.00 -3.39 113.55 111.13 2yqm h SER 39 Ca 0.48 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 61.16 2yqm h SER 39 Cb 0.80 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.48 2yqm h SER 39 CO -0.23 0.56 -0.67 -0.60 -0.87 0.00 0.00 176.83 175.02 2yqm s ARG 40 N -3.36 1.74 0.42 4.77 6.06 0.53 -5.03 118.95 124.08 2yqm s ARG 40 Ca 0.01 -2.33 -0.08 0.00 -2.50 0.00 0.00 55.73 50.83 2yqm s ARG 40 Cb 0.11 -3.15 -0.05 0.00 0.06 0.00 0.00 34.95 31.92 2yqm s ARG 40 CO 0.74 -1.07 0.75 1.03 -2.50 0.00 0.00 175.30 174.25 2yqm s ARG 41 N 0.13 3.67 0.38 5.12 0.52 -1.20 -2.14 118.95 125.43 2yqm s ARG 41 Ca 0.15 0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 55.53 2yqm s ARG 41 Cb -0.24 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 2yqm s ARG 41 CO -0.03 -0.07 0.79 -1.59 0.02 0.00 0.00 175.30 174.42 2yqm s LYS 42 N -4.15 3.94 0.13 3.54 -2.85 -1.26 -3.25 119.74 115.84 2yqm s LYS 42 Ca 0.49 0.66 0.05 0.00 -1.00 0.00 0.00 55.97 56.17 2yqm s LYS 42 Cb -0.10 -2.37 -0.04 0.00 -2.06 0.00 0.00 37.83 33.26 2yqm s LYS 42 CO 0.36 0.03 -0.12 -1.01 0.10 0.00 0.00 175.35 174.71 2yqm s HIS 43 N -2.20 1.31 -0.20 1.78 3.76 0.01 -4.97 115.29 114.77 2yqm s HIS 43 Ca 0.54 -0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2yqm s HIS 43 Cb -0.10 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2yqm s HIS 43 CO 0.23 0.11 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.60 2yqm s HIS 44 N -2.51 2.96 0.44 1.40 2.46 -1.26 -2.52 115.29 116.25 2yqm s HIS 44 Ca 0.10 -0.79 -0.24 0.00 0.47 0.00 0.00 55.06 54.60 2yqm s HIS 44 Cb -0.03 -2.06 -0.08 0.00 -0.13 0.00 0.00 32.58 30.28 2yqm s HIS 44 CO 0.02 -0.43 1.20 0.00 -2.47 0.00 0.00 174.74 173.06 2yqm n ARG 46 N -0.27 4.66 0.03 0.00 3.00 -1.26 -3.46 116.66 119.38 2yqm n ARG 46 Ca 0.06 -3.06 0.00 0.00 -0.01 0.00 0.00 57.85 54.84 2yqm n ARG 46 Cb 0.47 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.73 2yqm n ARG 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2yqm n ASN 47 N 0.71 0.21 0.05 0.55 5.15 -1.26 -4.89 115.26 115.78 2yqm n ASN 47 Ca 0.27 0.11 -0.05 0.00 -0.60 0.00 0.00 54.58 54.31 2yqm n ASN 47 Cb 1.14 -0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 40.28 2yqm n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yqm n GLY 49 N 1.39 -0.27 3.29 0.00 0.00 -1.22 -5.05 105.19 103.33 2yqm n GLY 49 Ca -0.06 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2yqm n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2yqm s HIS 50 N -3.07 1.45 -0.16 1.61 3.76 -1.26 -4.91 115.29 112.71 2yqm s HIS 50 Ca 0.08 -1.27 -0.13 0.00 -0.15 0.00 0.00 55.06 53.59 2yqm s HIS 50 Cb -0.01 -0.80 -0.05 0.00 1.11 0.00 0.00 32.58 32.83 2yqm s HIS 50 CO 0.28 -0.45 0.28 0.42 -0.85 0.00 0.00 174.74 174.43 2yqm s ILE 51 N -3.84 5.31 0.33 0.60 -1.09 -1.26 -2.94 121.20 118.31 2yqm s ILE 51 Ca 0.38 0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 2yqm s ILE 51 Cb 0.07 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.33 2yqm s ILE 51 CO 0.14 0.40 0.44 -0.36 -1.23 0.00 0.00 174.94 174.33 2yqm s PHE 52 N 0.39 1.05 0.40 3.97 0.08 -1.05 -3.32 117.98 119.50 2yqm s PHE 52 Ca 0.16 -1.27 0.08 0.00 0.12 0.00 0.00 56.93 56.02 2yqm s PHE 52 Cb -0.13 -0.13 -0.01 0.00 -0.57 0.00 0.00 43.02 42.18 2yqm s PHE 52 CO 0.04 -1.08 0.45 0.00 -0.10 0.00 0.00 175.22 174.53 2yqm h ASN 54 N 0.90 0.67 0.22 0.00 2.35 -1.89 0.31 115.58 118.13 2yqm h ASN 54 Ca -0.42 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2yqm h ASN 54 Cb 1.27 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2yqm h ASN 54 CO 0.52 0.34 -0.09 0.74 -1.65 0.00 0.00 177.43 177.30 2yqm h THR 55 N 0.76 0.62 0.00 2.81 2.02 -1.95 -2.11 112.91 115.06 2yqm h THR 55 Ca 0.45 -0.37 -0.20 0.00 0.77 0.00 0.00 66.41 67.06 2yqm h THR 55 Cb 0.51 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 2yqm h THR 55 CO -0.30 0.09 -1.56 0.00 0.37 0.00 0.00 175.52 174.12 2yqm n SER 57 N -2.88 7.08 -2.31 0.00 3.41 0.75 -1.63 113.62 118.04 2yqm n SER 57 Ca -0.12 -3.82 -0.31 0.00 -0.26 0.00 0.00 58.87 54.36 2yqm n SER 57 Cb 0.89 -0.98 0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2yqm n SER 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yqm n SER 58 N -0.51 6.37 -3.74 4.04 3.41 -1.16 -4.75 113.62 117.27 2yqm n SER 58 Ca 0.51 -3.77 -0.10 0.00 -0.26 0.00 0.00 58.87 55.25 2yqm n SER 58 Cb 0.30 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.48 2yqm n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2yqm s ASN 59 N -2.56 -0.06 0.01 4.04 2.20 -1.25 -5.06 114.94 112.26 2yqm s ASN 59 Ca 0.56 -0.46 -0.06 0.00 -0.94 0.00 0.00 52.86 51.97 2yqm s ASN 59 Cb 0.45 0.40 -0.00 0.00 -2.00 0.00 0.00 41.25 40.10 2yqm s ASN 59 CO -0.06 -0.78 0.10 -1.61 -2.94 0.00 0.00 177.10 171.81 2yqm s GLU 60 N -3.74 0.46 -0.09 3.55 2.02 -1.26 -0.29 118.70 119.35 2yqm s GLU 60 Ca 0.03 -0.46 -0.20 0.00 0.02 0.00 0.00 54.97 54.36 2yqm s GLU 60 Cb 0.03 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.49 2yqm s GLU 60 CO -0.11 -0.10 0.47 -1.17 0.02 0.00 0.00 175.26 174.36 2yqm s LEU 61 N -1.44 0.22 -0.64 1.80 2.96 -1.08 -4.95 118.68 115.55 2yqm s LEU 61 Ca -0.15 0.57 -0.26 0.00 -0.22 0.00 0.00 54.13 54.08 2yqm s LEU 61 Cb -0.08 1.73 0.04 0.00 0.50 0.00 0.00 46.19 48.38 2yqm s LEU 61 CO 0.01 -0.38 1.13 0.00 -1.32 0.00 0.00 176.35 175.78 2yqm s ALA 62 N -0.71 2.98 0.41 5.97 0.00 -1.26 -3.04 121.76 126.10 2yqm s ALA 62 Ca -0.08 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 2yqm s ALA 62 Cb -0.03 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 2yqm s ALA 62 CO 0.04 -2.81 0.68 -0.51 0.00 0.00 0.00 175.76 173.16 2yqm s LEU 63 N 4.83 3.82 0.35 0.00 1.43 -1.26 -4.95 118.68 122.90 2yqm s LEU 63 Ca 0.34 0.75 0.27 0.00 -1.03 0.00 0.00 54.13 54.46 2yqm s LEU 63 Cb -0.10 -3.66 1.12 0.00 0.03 0.00 0.00 46.19 43.58 2yqm s LEU 63 CO 0.18 -0.43 1.80 1.55 0.23 0.00 0.00 176.35 179.69 2yqm h PRO 64 N 0.64 0.00 0.01 1.29 0.13 -1.98 -3.16 132.00 128.93 2yqm h PRO 64 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2yqm h PRO 64 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2yqm h PRO 64 CO 0.62 0.00 -0.00 0.77 -0.23 0.00 0.00 178.00 179.16 2yqm h SER 65 N 0.00 -0.01 -2.62 1.44 0.02 -1.97 -3.46 113.55 106.96 2yqm h SER 65 Ca 0.00 -0.81 -0.55 0.00 -0.84 0.00 0.00 61.79 59.59 2yqm h SER 65 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2yqm h SER 65 CO 0.00 0.82 -0.47 -0.31 -1.14 0.00 0.00 176.83 175.73 2yqm s TYR 66 N -2.80 3.49 0.12 3.45 2.02 -1.19 -5.03 117.35 117.41 2yqm s TYR 66 Ca -0.17 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.54 2yqm s TYR 66 Cb -0.02 -1.69 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 2yqm s TYR 66 CO 0.66 0.53 1.45 -1.00 -1.57 0.00 0.00 175.55 175.62 2yqm h PRO 67 N 2.29 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.98 2yqm h PRO 67 Ca -0.48 -0.44 -0.59 0.00 -0.87 0.00 0.00 66.00 63.62 2yqm h PRO 67 Cb 1.19 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2yqm h PRO 67 CO 0.70 1.08 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.29 2yqm s LYS 68 N -4.39 2.21 -0.04 0.86 -2.85 -1.26 -4.94 119.74 109.33 2yqm s LYS 68 Ca -0.12 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 2yqm s LYS 68 Cb 0.10 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2yqm s LYS 68 CO 0.86 0.39 1.48 -1.25 0.10 0.00 0.00 175.35 176.94 2yqm s PRO 69 N -3.33 4.23 0.48 1.78 0.04 -1.26 -4.62 135.00 132.32 2yqm s PRO 69 Ca 0.29 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2yqm s PRO 69 Cb -0.07 -3.76 0.07 0.00 0.04 0.00 0.00 34.50 30.78 2yqm s PRO 69 CO 0.18 -0.71 0.58 1.33 0.04 0.00 0.00 177.00 178.43 2yqm n VAL 70 N 5.09 0.00 -2.66 -0.36 0.24 -1.17 -4.71 118.33 114.76 2yqm n VAL 70 Ca 0.15 -1.69 -0.42 0.00 -2.04 0.00 0.00 64.34 60.34 2yqm n VAL 70 Cb 0.43 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 2yqm n VAL 70 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2yqm s ARG 71 N -4.13 4.51 0.46 7.34 3.52 -1.26 -2.64 118.95 126.74 2yqm s ARG 71 Ca 0.44 1.47 0.03 0.00 -0.13 0.00 0.00 55.73 57.54 2yqm s ARG 71 Cb -0.04 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2yqm s ARG 71 CO 0.28 -0.15 0.11 0.14 -0.81 0.00 0.00 175.30 174.87 2yqm s VAL 72 N 1.28 0.63 0.17 7.11 -7.23 0.60 -3.98 120.40 118.99 2yqm s VAL 72 Ca 0.52 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2yqm s VAL 72 Cb -0.22 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2yqm s VAL 72 CO 0.26 0.00 0.30 0.00 -0.31 0.00 0.00 175.10 175.35 2yqm h ASP 74 N 1.91 0.00 0.50 0.00 3.58 -1.68 0.22 116.42 120.95 2yqm h ASP 74 Ca -0.49 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.90 2yqm h ASP 74 Cb 1.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2yqm h ASP 74 CO 0.67 0.00 -0.28 -1.28 -2.88 0.00 0.00 179.24 175.47 2yqm h SER 75 N 0.00 0.00 0.02 2.28 0.87 -1.94 -2.26 113.55 112.53 2yqm h SER 75 Ca 0.15 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.35 2yqm h SER 75 Cb 0.70 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 2yqm h SER 75 CO -0.00 0.28 -2.03 0.00 -0.53 0.00 0.00 176.83 174.55 2yqm h HIS 77 N -0.64 -0.21 -0.20 0.00 6.17 -0.99 0.22 115.15 119.51 2yqm h HIS 77 Ca -0.52 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 60.56 2yqm h HIS 77 Cb 1.64 0.15 -0.01 0.00 2.52 0.00 0.00 27.41 31.71 2yqm h HIS 77 CO 0.02 -0.16 -0.01 1.15 0.71 0.00 0.00 177.93 179.64 2yqm h THR 78 N -0.01 1.26 0.56 6.26 2.02 -1.62 -1.63 112.91 119.75 2yqm h THR 78 Ca 0.18 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2yqm h THR 78 Cb 0.27 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2yqm h THR 78 CO -0.38 0.27 -0.46 0.25 0.37 0.00 0.00 175.52 175.58 2yqm h LEU 79 N 0.11 -1.22 -0.11 2.58 5.85 -1.47 -0.26 115.31 120.79 2yqm h LEU 79 Ca 0.06 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2yqm h LEU 79 Cb 0.41 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2yqm h LEU 79 CO 0.01 -0.64 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.11 2yqm h LEU 80 N -0.99 -0.89 -1.85 2.25 3.38 -0.65 0.21 115.31 116.78 2yqm h LEU 80 Ca -0.07 0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.25 2yqm h LEU 80 Cb 0.83 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2yqm h LEU 80 CO 0.00 -0.34 0.57 -0.07 0.09 0.00 0.00 178.44 178.69 2yqm h LEU 81 N -0.37 0.13 -4.35 1.67 3.38 -1.19 0.27 115.31 114.84 2yqm h LEU 81 Ca 0.09 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.38 2yqm h LEU 81 Cb 0.51 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 40.95 2yqm h LEU 81 CO -0.32 0.05 0.68 0.00 0.09 0.00 0.00 178.44 178.94 2yqm n GLN 82 N -4.37 2.85 0.08 1.13 6.02 0.04 -4.56 117.38 118.56 2yqm n GLN 82 Ca 0.17 -3.53 -0.13 0.00 -0.01 0.00 0.00 57.00 53.49 2yqm n GLN 82 Cb 0.79 -2.28 -0.13 0.00 1.02 0.00 0.00 30.24 29.63 2yqm n GLN 82 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2yqm h ARG 83 N 2.40 0.18 -5.55 -1.09 2.43 -0.64 -3.44 114.38 108.67 2yqm h ARG 83 Ca 0.55 -0.32 -0.35 0.00 -0.81 0.00 0.00 59.98 59.05 2yqm h ARG 83 Cb 0.62 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2yqm h ARG 83 CO 1.42 1.11 1.26 0.00 -1.51 0.00 0.00 179.97 182.25 2yqm s SER 85 N 11.96 5.36 -0.41 0.00 0.01 -1.26 -5.09 113.70 124.27 2yqm s SER 85 Ca 0.97 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 58.17 2yqm s SER 85 Cb -0.16 -1.38 0.18 0.00 0.21 0.00 0.00 66.02 64.88 2yqm s SER 85 CO 0.22 0.14 0.74 -0.55 0.41 0.00 0.00 173.24 174.20 2yqm s SER 86 N -2.59 -1.27 0.08 2.44 0.15 -1.26 -5.16 113.70 106.10 2yqm s SER 86 Ca 0.29 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 56.14 2yqm s SER 86 Cb -0.11 1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 65.79 2yqm s SER 86 CO 0.21 -0.12 -0.14 0.28 1.20 0.00 0.00 173.24 174.68 2yqm s THR 87 N 1.64 1.15 0.00 6.45 -1.32 -1.26 -5.01 115.64 117.28 2yqm s THR 87 Ca 0.19 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2yqm s THR 87 Cb -0.01 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 2yqm s THR 87 CO -0.08 -0.30 0.00 0.00 -2.21 0.00 0.00 174.62 172.03 2yqm n ALA 88 N 1.05 0.00 1.58 11.08 0.00 -1.26 -5.36 120.51 127.60 2yqm n ALA 88 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.37 2yqm n ALA 88 Cb 0.55 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.75 2yqm n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37