#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 -0.17 -0.13 1.61 0.01 -1.26 -5.18 113.70 108.58 2yqm s SER 2 Ca 0.00 0.23 -0.29 0.00 1.31 0.00 0.00 55.95 57.20 2yqm s SER 2 Cb 0.00 0.20 0.08 0.00 0.21 0.00 0.00 66.02 66.51 2yqm s SER 2 CO 0.00 -0.13 0.73 -0.55 0.41 0.00 0.00 173.24 173.71 2yqm s SER 3 N -0.71 -0.65 -0.49 2.44 0.15 -1.26 -5.11 113.70 108.07 2yqm s SER 3 Ca 0.05 0.89 0.06 0.00 0.70 0.00 0.00 55.95 57.65 2yqm s SER 3 Cb -0.02 0.78 0.24 0.00 -1.71 0.00 0.00 66.02 65.30 2yqm s SER 3 CO -0.07 -0.47 0.86 0.61 1.20 0.00 0.00 173.24 175.37 2yqm n GLY 4 N 1.42 0.09 3.36 9.45 0.00 -1.26 -5.14 105.19 113.10 2yqm n GLY 4 Ca -0.17 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.48 3.00 0.12 1.61 0.01 -1.26 -5.15 113.70 110.57 2yqm s SER 5 Ca 0.32 -0.78 -0.24 0.00 1.31 0.00 0.00 55.95 56.56 2yqm s SER 5 Cb 0.21 -0.19 0.08 0.00 0.21 0.00 0.00 66.02 66.32 2yqm s SER 5 CO -0.23 0.09 0.68 -0.94 0.41 0.00 0.00 173.24 173.26 2yqm s SER 6 N -2.25 -0.50 -0.02 2.44 1.04 -1.26 -5.17 113.70 107.98 2yqm s SER 6 Ca 0.13 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.53 2yqm s SER 6 Cb -0.09 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2yqm s SER 6 CO 0.06 -0.90 0.03 -0.83 0.98 0.00 0.00 173.24 172.59 2yqm s GLY 7 N -2.69 0.06 -0.13 7.32 0.00 -1.26 -5.13 107.32 105.49 2yqm s GLY 7 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 2yqm s GLY 7 CO -0.11 0.52 -0.03 -0.42 0.00 0.00 0.00 173.10 173.06 2yqm s ILE 8 N 0.77 0.75 -0.19 0.90 1.01 -1.26 -5.11 121.20 118.08 2yqm s ILE 8 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.00 2yqm s ILE 8 Cb -0.09 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2yqm s ILE 8 CO -0.02 0.17 1.26 -0.54 0.00 0.00 0.00 174.94 175.81 2yqm s LYS 9 N 1.80 4.18 -0.05 2.79 3.01 -1.26 -5.01 119.74 125.20 2yqm s LYS 9 Ca 0.03 1.58 -0.05 0.00 -1.01 0.00 0.00 55.97 56.52 2yqm s LYS 9 Cb -0.14 -3.78 0.01 0.00 -1.01 0.00 0.00 37.83 32.91 2yqm s LYS 9 CO -0.07 -0.78 0.13 -1.83 0.51 0.00 0.00 175.35 173.31 2yqm s GLU 10 N 3.61 0.17 -0.15 1.68 4.04 -1.26 -5.16 118.70 121.63 2yqm s GLU 10 Ca 0.55 0.15 -0.18 0.00 0.04 0.00 0.00 54.97 55.53 2yqm s GLU 10 Cb -0.21 0.08 0.05 0.00 0.02 0.00 0.00 34.13 34.07 2yqm s GLU 10 CO 0.16 -0.02 0.48 0.54 -1.84 0.00 0.00 175.26 174.58 2yqm s VAL 11 N -0.01 0.01 0.09 1.83 0.11 -1.26 -5.17 120.40 115.99 2yqm s VAL 11 Ca -0.01 -0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.07 2yqm s VAL 11 Cb -0.01 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2yqm s VAL 11 CO 0.00 -0.03 -0.23 0.54 -3.33 0.00 0.00 175.10 172.05 2yqm s ASN 12 N -0.06 2.78 0.35 3.54 2.20 -1.26 -5.15 114.94 117.34 2yqm s ASN 12 Ca -0.03 -0.65 0.04 0.00 -0.94 0.00 0.00 52.86 51.28 2yqm s ASN 12 Cb -0.03 -0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 38.99 2yqm s ASN 12 CO 0.02 0.13 0.13 0.00 -2.94 0.00 0.00 177.10 174.44 2yqm s GLN 13 N -1.71 1.75 -0.04 3.55 -2.07 -1.26 -5.17 119.66 114.72 2yqm s GLN 13 Ca 0.09 -2.03 -0.03 0.00 -1.82 0.00 0.00 55.36 51.57 2yqm s GLN 13 Cb -0.10 -0.43 0.01 0.00 -1.09 0.00 0.00 33.01 31.40 2yqm s GLN 13 CO 0.04 -0.43 0.10 0.00 -1.32 0.00 0.00 175.29 173.69 2yqm s ALA 14 N -3.38 -0.24 -0.02 2.60 0.00 -1.26 -5.16 121.76 114.30 2yqm s ALA 14 Ca 0.31 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 2yqm s ALA 14 Cb 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2yqm s ALA 14 CO 0.16 -0.06 0.26 -0.51 0.00 0.00 0.00 175.76 175.61 2yqm s LEU 15 N 0.23 1.04 0.00 0.00 1.43 -1.26 -5.18 118.68 114.94 2yqm s LEU 15 Ca -0.01 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2yqm s LEU 15 Cb -0.02 1.09 0.06 0.00 0.03 0.00 0.00 46.19 47.35 2yqm s LEU 15 CO -0.01 -0.40 0.52 1.17 0.23 0.00 0.00 176.35 177.86 2yqm n LYS 16 N 1.44 0.75 0.00 1.70 3.00 -1.26 -5.09 118.16 118.70 2yqm n LYS 16 Ca -0.21 -2.04 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 2yqm n LYS 16 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.44 2yqm n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yqm n GLY 17 N 0.40 -1.85 3.26 3.14 0.00 -1.26 -5.18 105.19 103.71 2yqm n GLY 17 Ca 0.10 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.81 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 1.20 0.30 1.61 4.02 -1.26 -5.15 115.29 116.02 2yqm s HIS 18 Ca 0.00 -1.38 -0.28 0.00 1.02 0.00 0.00 55.06 54.42 2yqm s HIS 18 Cb 0.00 -0.51 -0.09 0.00 -1.02 0.00 0.00 32.58 30.96 2yqm s HIS 18 CO 0.00 -0.73 1.06 0.00 1.02 0.00 0.00 174.74 176.09 2yqm s ALA 19 N -3.97 3.33 -0.45 -1.40 0.00 -1.26 -5.00 121.76 113.02 2yqm s ALA 19 Ca 0.38 0.81 0.09 0.00 0.00 0.00 0.00 51.96 53.24 2yqm s ALA 19 Cb 0.05 -3.30 0.34 0.00 0.00 0.00 0.00 23.12 20.22 2yqm s ALA 19 CO 0.15 -0.11 0.80 -2.67 0.00 0.00 0.00 175.76 173.94 2yqm n TRP 20 N 0.98 1.68 -1.48 0.00 2.14 -1.26 -4.86 117.44 114.65 2yqm n TRP 20 Ca -0.00 -3.89 -0.05 0.00 2.07 0.00 0.00 57.50 55.64 2yqm n TRP 20 Cb 0.46 -0.45 0.20 0.00 -0.81 0.00 0.00 31.31 30.71 2yqm n TRP 20 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2yqm n LEU 21 N 0.14 4.12 -3.70 5.67 4.32 -1.26 -4.97 117.00 121.32 2yqm n LEU 21 Ca 0.27 -3.82 -0.12 0.00 -0.02 0.00 0.00 56.01 52.33 2yqm n LEU 21 Cb 0.55 -0.64 -0.10 0.00 -1.62 0.00 0.00 43.42 41.62 2yqm n LEU 21 CO 0.26 1.29 0.14 -1.59 -1.22 0.00 0.00 177.39 176.28 2yqm s LYS 22 N -3.27 0.52 -0.08 3.23 -2.85 -1.26 -5.04 119.74 110.99 2yqm s LYS 22 Ca 0.45 0.74 0.12 0.00 -1.00 0.00 0.00 55.97 56.28 2yqm s LYS 22 Cb 0.41 0.18 -0.18 0.00 -2.06 0.00 0.00 37.83 36.17 2yqm s LYS 22 CO -0.01 -0.10 0.15 -3.47 0.10 0.00 0.00 175.35 172.02 2yqm n ASP 23 N 3.35 1.83 -2.64 0.03 2.03 -1.26 -5.09 116.55 114.79 2yqm n ASP 23 Ca -0.17 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.10 2yqm n ASP 23 Cb 0.56 1.14 -0.03 0.00 -0.72 0.00 0.00 41.12 42.07 2yqm n ASP 23 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2yqm n ASP 24 N -2.28 -2.84 0.14 1.67 2.03 -1.26 -4.96 116.55 109.04 2yqm n ASP 24 Ca -0.14 1.39 -0.10 0.00 0.52 0.00 0.00 54.79 56.46 2yqm n ASP 24 Cb 0.70 -5.33 -0.06 0.00 -0.72 0.00 0.00 41.12 35.72 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2yqm h GLU 25 N 3.78 -0.41 -0.19 -0.67 5.08 -2.02 -3.46 114.58 116.70 2yqm h GLU 25 Ca -0.39 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2yqm h GLU 25 Cb 0.88 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.08 2yqm h GLU 25 CO 0.04 -0.12 -0.14 0.00 -1.00 0.00 0.00 179.01 177.79 2yqm n ALA 26 N -2.65 -3.53 0.04 3.43 0.00 -1.26 -5.02 120.51 111.52 2yqm n ALA 26 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.24 2yqm n ALA 26 Cb 0.24 -3.10 -0.08 0.00 0.00 0.00 0.00 19.45 16.52 2yqm n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yqm n THR 27 N 2.32 1.11 -4.08 0.00 -2.24 -1.26 -4.94 114.28 105.19 2yqm n THR 27 Ca 0.09 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.09 2yqm n THR 27 Cb 0.66 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.98 0.63 0.89 4.78 3.76 -1.26 -3.12 115.29 118.00 2yqm s HIS 28 Ca -0.03 -0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 54.07 2yqm s HIS 28 Cb 0.09 -0.39 0.11 0.00 1.11 0.00 0.00 32.58 33.49 2yqm s HIS 28 CO 0.81 -0.16 0.99 0.00 -0.85 0.00 0.00 174.74 175.53 2yqm n ARG 30 N -3.42 2.08 0.10 0.00 3.00 -1.25 -3.77 116.66 113.40 2yqm n ARG 30 Ca 0.11 -3.13 0.00 0.00 -0.00 0.00 0.00 57.85 54.83 2yqm n ARG 30 Cb 0.52 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 30.97 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 -1.13 0.00 0.05 -0.14 7.27 -1.26 -4.93 117.38 117.24 2yqm n GLN 31 Ca 0.47 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.59 2yqm n GLN 31 Cb 1.33 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.92 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 -2.73 -1.77 -4.78 0.00 1.02 -1.25 -5.00 120.64 106.12 2yqm n GLU 33 Ca -0.06 1.15 -0.27 0.00 -0.02 0.00 0.00 57.16 57.96 2yqm n GLU 33 Cb 0.71 -5.71 -0.17 0.00 -0.02 0.00 0.00 31.44 26.26 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yqm s LYS 34 N -3.79 2.16 -0.13 3.49 1.02 -1.26 -4.87 119.74 116.36 2yqm s LYS 34 Ca 0.24 -0.57 -0.36 0.00 0.02 0.00 0.00 55.97 55.29 2yqm s LYS 34 Cb -0.03 -1.72 -0.13 0.00 -0.52 0.00 0.00 37.83 35.42 2yqm s LYS 34 CO 0.75 0.07 1.79 -1.91 -0.92 0.00 0.00 175.35 175.13 2yqm n GLU 35 N 3.74 1.77 -2.14 1.68 2.13 -1.26 -3.64 120.64 122.92 2yqm n GLU 35 Ca -0.21 0.65 -0.42 0.00 0.66 0.00 0.00 57.16 57.83 2yqm n GLU 35 Cb 0.52 -2.42 -0.03 0.00 0.27 0.00 0.00 31.44 29.78 2yqm n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2yqm s PHE 36 N 3.53 2.28 0.13 4.31 0.08 -1.18 -4.92 117.98 122.20 2yqm s PHE 36 Ca 0.93 0.46 0.00 0.00 0.12 0.00 0.00 56.93 58.45 2yqm s PHE 36 Cb -0.84 -3.78 -0.00 0.00 -0.57 0.00 0.00 43.02 37.83 2yqm s PHE 36 CO 0.56 -3.16 0.02 -1.13 -0.10 0.00 0.00 175.22 171.40 2yqm n SER 37 N 6.87 1.82 -0.13 1.36 3.41 -0.20 -4.96 113.62 121.78 2yqm n SER 37 Ca 0.16 -1.59 -0.05 0.00 -0.26 0.00 0.00 58.87 57.12 2yqm n SER 37 Cb 0.43 0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 2yqm n SER 37 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2yqm h ILE 38 N 1.12 0.91 0.00 -1.33 5.03 -2.01 -1.71 117.51 119.52 2yqm h ILE 38 Ca -0.10 -0.12 -0.09 0.00 -0.12 0.00 0.00 64.86 64.42 2yqm h ILE 38 Cb 0.34 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 2yqm h ILE 38 CO 0.17 0.06 -0.44 -1.28 -0.68 0.00 0.00 178.15 175.98 2yqm h SER 39 N 0.35 0.00 -4.19 1.72 0.87 -1.99 -3.37 113.55 106.94 2yqm h SER 39 Ca 0.19 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 60.07 2yqm h SER 39 Cb 0.15 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 61.74 2yqm h SER 39 CO -0.17 0.44 -0.44 -0.60 -0.53 0.00 0.00 176.83 175.53 2yqm s ARG 40 N -3.50 2.42 0.72 2.24 6.06 -0.65 -5.03 118.95 121.20 2yqm s ARG 40 Ca 0.00 -2.62 -0.05 0.00 -2.50 0.00 0.00 55.73 50.57 2yqm s ARG 40 Cb 0.11 -3.61 0.10 0.00 0.06 0.00 0.00 34.95 31.60 2yqm s ARG 40 CO 0.71 -1.16 1.00 1.03 -2.50 0.00 0.00 175.30 174.38 2yqm s ARG 41 N -0.24 1.89 0.10 5.12 0.52 -1.20 -1.04 118.95 124.10 2yqm s ARG 41 Ca 0.18 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2yqm s ARG 41 Cb -0.21 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 2yqm s ARG 41 CO -0.03 -1.37 0.05 -1.59 0.02 0.00 0.00 175.30 172.39 2yqm s LYS 42 N -5.21 2.72 0.31 3.54 -2.85 -1.26 -4.33 119.74 112.66 2yqm s LYS 42 Ca 0.63 -0.79 0.04 0.00 -1.00 0.00 0.00 55.97 54.85 2yqm s LYS 42 Cb -0.08 -2.62 -0.04 0.00 -2.06 0.00 0.00 37.83 33.03 2yqm s LYS 42 CO 0.44 0.54 0.18 -3.38 0.10 0.00 0.00 175.35 173.24 2yqm s HIS 43 N -1.42 1.60 -0.20 1.78 -3.43 -0.96 -5.00 115.29 107.66 2yqm s HIS 43 Ca 0.28 -1.44 0.01 0.00 -0.80 0.00 0.00 55.06 53.11 2yqm s HIS 43 Cb -0.12 -0.81 0.04 0.00 -1.43 0.00 0.00 32.58 30.27 2yqm s HIS 43 CO 0.20 -0.60 -0.11 -1.58 -2.00 0.00 0.00 174.74 170.65 2yqm s HIS 44 N -3.60 2.54 0.64 0.38 2.46 -1.26 -3.18 115.29 113.26 2yqm s HIS 44 Ca 0.36 -1.67 -0.17 0.00 0.47 0.00 0.00 55.06 54.05 2yqm s HIS 44 Cb 0.04 -1.70 -0.05 0.00 -0.13 0.00 0.00 32.58 30.75 2yqm s HIS 44 CO 0.19 -0.76 0.69 0.00 -2.47 0.00 0.00 174.74 172.38 2yqm n ARG 46 N -0.70 4.73 0.00 0.00 3.00 -1.26 -3.73 116.66 118.70 2yqm n ARG 46 Ca 0.12 -3.11 0.00 0.00 -0.01 0.00 0.00 57.85 54.85 2yqm n ARG 46 Cb 0.48 -2.21 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 0.00 0.15 0.55 5.15 -1.26 -4.90 115.26 115.67 2yqm n ASN 47 Ca 0.28 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.28 2yqm n ASN 47 Cb 1.15 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 40.60 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 0.57 0.07 3.57 0.00 0.00 -1.24 -5.03 105.19 103.12 2yqm n GLY 49 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.16 1.77 -0.21 1.61 3.76 -1.26 -4.86 115.29 112.94 2yqm s HIS 50 Ca 0.16 -1.30 -0.08 0.00 -0.15 0.00 0.00 55.06 53.69 2yqm s HIS 50 Cb -0.02 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2yqm s HIS 50 CO 0.30 -0.28 0.07 0.42 -0.85 0.00 0.00 174.74 174.41 2yqm s ILE 51 N -3.12 4.65 0.29 0.60 -1.09 -1.26 -2.13 121.20 119.14 2yqm s ILE 51 Ca 0.18 -0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 2yqm s ILE 51 Cb 0.01 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.75 2yqm s ILE 51 CO 0.13 0.40 0.37 -0.36 -1.23 0.00 0.00 174.94 174.25 2yqm s PHE 52 N 0.88 1.05 0.24 3.97 0.08 -1.19 -3.83 117.98 119.18 2yqm s PHE 52 Ca 0.04 -1.26 0.07 0.00 0.12 0.00 0.00 56.93 55.90 2yqm s PHE 52 Cb -0.14 -0.23 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 2yqm s PHE 52 CO 0.03 -0.96 0.14 0.00 -0.10 0.00 0.00 175.22 174.32 2yqm h ASN 54 N 1.75 0.00 0.73 0.00 7.08 -1.89 0.27 115.58 123.51 2yqm h ASN 54 Ca -0.47 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 52.69 2yqm h ASN 54 Cb 1.23 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.47 2yqm h ASN 54 CO 0.61 0.00 -0.26 0.74 -2.08 0.00 0.00 177.43 176.44 2yqm h THR 55 N 0.00 0.71 0.00 6.14 2.02 -1.95 -3.02 112.91 116.81 2yqm h THR 55 Ca 0.16 -1.12 -0.23 0.00 0.77 0.00 0.00 66.41 65.99 2yqm h THR 55 Cb 0.74 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2yqm h THR 55 CO -0.00 0.25 -1.98 0.00 0.37 0.00 0.00 175.52 174.16 2yqm n SER 57 N -2.70 6.90 -2.32 0.00 3.41 -0.10 -2.38 113.62 116.44 2yqm n SER 57 Ca -0.19 -3.77 -0.32 0.00 -0.26 0.00 0.00 58.87 54.33 2yqm n SER 57 Cb 0.93 -0.98 0.06 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.38 7.39 -3.70 4.04 3.41 -1.19 -4.58 113.62 118.60 2yqm n SER 58 Ca 0.49 -3.62 -0.12 0.00 -0.26 0.00 0.00 58.87 55.35 2yqm n SER 58 Cb 0.31 -1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.14 2yqm n SER 58 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2yqm s ASN 59 N -1.24 -0.52 -0.07 4.04 0.01 -1.26 -5.11 114.94 110.79 2yqm s ASN 59 Ca 0.56 0.96 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 2yqm s ASN 59 Cb 0.44 0.93 -0.03 0.00 0.41 0.00 0.00 41.25 43.00 2yqm s ASN 59 CO -0.07 -0.18 -0.07 -1.61 -1.51 0.00 0.00 177.10 173.67 2yqm s GLU 60 N 0.67 2.79 -0.01 -0.60 2.02 -1.26 -2.42 118.70 119.88 2yqm s GLU 60 Ca -0.03 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.42 2yqm s GLU 60 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2yqm s GLU 60 CO -0.05 0.64 -0.05 -1.17 0.02 0.00 0.00 175.26 174.65 2yqm s LEU 61 N -0.74 1.87 -0.63 1.80 2.96 -1.13 -4.93 118.68 117.88 2yqm s LEU 61 Ca 0.11 -0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 2yqm s LEU 61 Cb -0.11 -0.31 0.04 0.00 0.50 0.00 0.00 46.19 46.31 2yqm s LEU 61 CO 0.02 0.04 1.11 0.00 -1.32 0.00 0.00 176.35 176.20 2yqm s ALA 62 N 0.07 2.99 0.41 5.97 0.00 -1.26 -3.06 121.76 126.87 2yqm s ALA 62 Ca -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 2yqm s ALA 62 Cb -0.04 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 2yqm s ALA 62 CO -0.00 -2.79 0.68 -0.51 0.00 0.00 0.00 175.76 173.14 2yqm s LEU 63 N 4.77 3.82 0.33 0.00 1.43 -1.26 -4.95 118.68 122.82 2yqm s LEU 63 Ca 0.34 0.77 0.26 0.00 -1.03 0.00 0.00 54.13 54.47 2yqm s LEU 63 Cb -0.10 -3.67 1.09 0.00 0.03 0.00 0.00 46.19 43.54 2yqm s LEU 63 CO 0.18 -0.43 1.78 1.55 0.23 0.00 0.00 176.35 179.67 2yqm h PRO 64 N 0.66 0.00 0.01 1.29 0.13 -1.98 -3.14 132.00 128.96 2yqm h PRO 64 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 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 -0.09 0.77 -0.23 0.00 0.00 178.00 179.07 2yqm h SER 65 N 0.00 0.07 -2.65 1.44 0.02 -1.97 -3.46 113.55 107.00 2yqm h SER 65 Ca 0.00 -0.86 -0.56 0.00 -0.84 0.00 0.00 61.79 59.53 2yqm h SER 65 Cb 0.39 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2yqm h SER 65 CO 0.00 0.92 -0.49 -0.31 -1.14 0.00 0.00 176.83 175.81 2yqm s TYR 66 N -2.78 3.42 0.12 3.45 2.02 -1.19 -5.03 117.35 117.36 2yqm s TYR 66 Ca -0.18 0.11 -0.13 0.00 -0.37 0.00 0.00 57.07 56.51 2yqm s TYR 66 Cb -0.01 -1.65 -0.06 0.00 -0.40 0.00 0.00 41.96 39.84 2yqm s TYR 66 CO 0.70 0.53 1.45 -1.00 -1.57 0.00 0.00 175.55 175.66 2yqm h PRO 67 N 2.35 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 122.03 2yqm h PRO 67 Ca -0.48 -0.44 -0.58 0.00 -0.87 0.00 0.00 66.00 63.63 2yqm h PRO 67 Cb 1.19 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2yqm h PRO 67 CO 0.69 1.08 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.27 2yqm s LYS 68 N -4.39 2.21 -0.05 0.86 -2.85 -1.26 -4.94 119.74 109.31 2yqm s LYS 68 Ca -0.12 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.20 2yqm s LYS 68 Cb 0.10 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 2yqm s LYS 68 CO 0.86 0.39 1.49 -1.25 0.10 0.00 0.00 175.35 176.94 2yqm s PRO 69 N -3.34 4.23 0.48 1.78 0.04 -1.26 -4.62 135.00 132.30 2yqm s PRO 69 Ca 0.29 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.42 2yqm s PRO 69 Cb -0.07 -3.78 0.08 0.00 0.04 0.00 0.00 34.50 30.76 2yqm s PRO 69 CO 0.18 -0.72 0.63 1.33 0.04 0.00 0.00 177.00 178.46 2yqm n VAL 70 N 5.15 0.00 -2.67 -0.36 0.24 -1.17 -4.68 118.33 114.83 2yqm n VAL 70 Ca 0.15 -1.62 -0.43 0.00 -2.04 0.00 0.00 64.34 60.41 2yqm n VAL 70 Cb 0.43 -0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 -4.15 4.36 0.39 7.34 3.52 -1.26 -2.86 118.95 126.30 2yqm s ARG 71 Ca 0.48 1.39 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 2yqm s ARG 71 Cb -0.04 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2yqm s ARG 71 CO 0.31 -0.43 0.08 0.14 -0.81 0.00 0.00 175.30 174.58 2yqm s VAL 72 N 2.43 1.00 0.21 7.11 -7.23 -1.02 -4.19 120.40 118.72 2yqm s VAL 72 Ca 0.47 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2yqm s VAL 72 Cb -0.17 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 2yqm s VAL 72 CO 0.14 0.00 0.45 0.00 -0.31 0.00 0.00 175.10 175.38 2yqm h ASP 74 N 2.29 0.43 -0.06 0.00 1.82 -1.85 0.22 116.42 119.28 2yqm h ASP 74 Ca -0.47 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.21 2yqm h ASP 74 Cb 1.18 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.12 2yqm h ASP 74 CO 0.69 0.22 0.06 -1.28 -1.61 0.00 0.00 179.24 177.32 2yqm h SER 75 N 0.46 0.00 0.02 2.28 0.87 -1.94 -0.99 113.55 114.25 2yqm h SER 75 Ca 0.38 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.58 2yqm h SER 75 Cb 0.84 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2yqm h SER 75 CO -0.13 0.00 -2.04 0.00 -0.53 0.00 0.00 176.83 174.12 2yqm h HIS 77 N -0.73 -1.24 -0.46 0.00 6.17 -0.84 0.20 115.15 118.25 2yqm h HIS 77 Ca -0.54 0.02 0.06 0.00 0.71 0.00 0.00 60.37 60.63 2yqm h HIS 77 Cb 1.60 0.50 -0.03 0.00 2.52 0.00 0.00 27.41 32.00 2yqm h HIS 77 CO 0.01 -0.56 0.31 1.15 0.71 0.00 0.00 177.93 179.55 2yqm h THR 78 N -0.80 0.95 0.44 6.26 2.02 -1.43 -0.88 112.91 119.47 2yqm h THR 78 Ca -0.04 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2yqm h THR 78 Cb 0.72 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2yqm h THR 78 CO -0.11 0.06 -0.21 0.25 0.37 0.00 0.00 175.52 175.88 2yqm h LEU 79 N 0.35 -0.50 -0.94 2.58 5.85 -1.44 -2.48 115.31 118.73 2yqm h LEU 79 Ca 0.20 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.10 2yqm h LEU 79 Cb 0.35 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 2yqm h LEU 79 CO -0.05 -0.26 0.54 -0.07 -0.34 0.00 0.00 178.44 178.26 2yqm h LEU 80 N -0.79 0.69 -0.83 2.25 3.38 -0.47 0.25 115.31 119.79 2yqm h LEU 80 Ca -0.06 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2yqm h LEU 80 Cb 0.46 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2yqm h LEU 80 CO 0.10 0.28 0.50 -0.07 0.09 0.00 0.00 178.44 179.34 2yqm h LEU 81 N 0.74 0.75 -0.63 1.67 3.38 -1.18 -1.17 115.31 118.87 2yqm h LEU 81 Ca 0.52 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.38 2yqm h LEU 81 Cb 0.73 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2yqm h LEU 81 CO -0.36 0.46 -0.66 1.56 0.09 0.00 0.00 178.44 179.53 2yqm h GLN 82 N 0.87 0.00 -6.25 1.13 4.20 -0.53 -3.43 115.11 111.10 2yqm h GLN 82 Ca 0.38 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.53 2yqm h GLN 82 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2yqm h GLN 82 CO -0.21 0.66 1.07 0.50 -0.67 0.00 0.00 178.83 180.19 2yqm s ARG 83 N -3.44 4.00 -0.45 1.46 3.52 -0.33 -4.93 118.95 118.79 2yqm s ARG 83 Ca -0.01 1.83 0.07 0.00 -0.13 0.00 0.00 55.73 57.49 2yqm s ARG 83 Cb 0.12 -3.97 0.24 0.00 -1.56 0.00 0.00 34.95 29.78 2yqm s ARG 83 CO 0.76 -1.05 0.55 0.00 -0.81 0.00 0.00 175.30 174.76 2yqm s SER 85 N -1.37 5.64 -0.37 0.00 0.01 -1.26 -5.02 113.70 111.33 2yqm s SER 85 Ca 0.36 0.79 0.06 0.00 1.31 0.00 0.00 55.95 58.47 2yqm s SER 85 Cb 0.15 -1.79 0.44 0.00 0.21 0.00 0.00 66.02 65.03 2yqm s SER 85 CO -0.10 -1.05 1.15 -1.20 0.41 0.00 0.00 173.24 172.45 2yqm n SER 86 N -2.61 4.76 -3.94 2.44 7.64 -1.26 -5.01 113.62 115.64 2yqm n SER 86 Ca 0.04 -3.71 -0.20 0.00 1.01 0.00 0.00 58.87 56.01 2yqm n SER 86 Cb 0.57 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 63.21 2yqm n SER 86 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2yqm s THR 87 N -5.08 0.67 0.62 0.44 2.01 -1.26 -5.15 115.64 107.88 2yqm s THR 87 Ca 0.49 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.32 2yqm s THR 87 Cb 0.40 -0.64 0.11 0.00 0.01 0.00 0.00 72.50 72.38 2yqm s THR 87 CO -0.08 0.24 0.85 0.00 -0.69 0.00 0.00 174.62 174.94 2yqm n ALA 88 N 3.74 0.87 1.86 7.40 0.00 -1.26 -5.24 120.51 127.89 2yqm n ALA 88 Ca -0.23 -2.01 0.15 0.00 0.00 0.00 0.00 53.44 51.35 2yqm n ALA 88 Cb 0.52 0.48 0.88 0.00 0.00 0.00 0.00 19.45 21.33 2yqm n ALA 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93