#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 -0.33 -0.28 1.61 0.15 -1.26 -5.17 113.70 108.43 2yqm s SER 2 Ca 0.00 0.46 -0.20 0.00 0.70 0.00 0.00 55.95 56.90 2yqm s SER 2 Cb 0.00 1.34 0.10 0.00 -1.71 0.00 0.00 66.02 65.75 2yqm s SER 2 CO 0.00 -0.06 0.84 -0.44 1.20 0.00 0.00 173.24 174.77 2yqm s SER 3 N 2.09 -0.69 0.00 5.45 0.01 -1.26 -5.10 113.70 114.21 2yqm s SER 3 Ca -0.02 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2yqm s SER 3 Cb -0.03 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.45 2yqm s SER 3 CO -0.16 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2yqm n GLY 4 N 3.30 -0.19 3.32 3.44 0.00 -1.26 -5.17 105.19 108.62 2yqm n GLY 4 Ca -0.16 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2yqm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqm s SER 5 N 0.00 2.86 -0.02 1.61 1.04 -1.26 -5.14 113.70 112.79 2yqm s SER 5 Ca 0.00 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 55.84 2yqm s SER 5 Cb 0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2yqm s SER 5 CO 0.00 0.16 -0.19 -0.94 0.98 0.00 0.00 173.24 173.25 2yqm s SER 6 N -1.63 3.67 -0.16 7.02 1.04 -1.26 -5.12 113.70 117.26 2yqm s SER 6 Ca 0.10 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 2yqm s SER 6 Cb -0.10 -0.63 0.05 0.00 0.10 0.00 0.00 66.02 65.45 2yqm s SER 6 CO 0.04 0.31 0.38 -0.83 0.98 0.00 0.00 173.24 174.12 2yqm s GLY 7 N -0.88 -0.29 -0.37 7.32 0.00 -1.26 -5.12 107.32 106.71 2yqm s GLY 7 Ca 0.12 1.38 -0.01 0.00 0.00 0.00 0.00 44.72 46.21 2yqm s GLY 7 CO 0.01 1.50 0.13 -0.42 0.00 0.00 0.00 173.10 174.33 2yqm s ILE 8 N 1.18 3.01 0.29 0.90 1.01 -1.26 -5.07 121.20 121.26 2yqm s ILE 8 Ca -0.08 -2.00 -0.05 0.00 0.00 0.00 0.00 60.65 58.52 2yqm s ILE 8 Cb -0.08 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2yqm s ILE 8 CO -0.10 -0.57 0.41 -1.59 0.00 0.00 0.00 174.94 173.09 2yqm s LYS 9 N 1.11 1.68 -0.28 2.79 -2.85 -1.26 -5.08 119.74 115.84 2yqm s LYS 9 Ca 0.06 -1.60 0.19 0.00 -1.00 0.00 0.00 55.97 53.63 2yqm s LYS 9 Cb -0.21 0.42 0.49 0.00 -2.06 0.00 0.00 37.83 36.46 2yqm s LYS 9 CO -0.05 -0.68 1.08 -0.85 0.10 0.00 0.00 175.35 174.96 2yqm n GLU 10 N -0.46 1.87 -5.10 1.78 0.28 -1.26 -5.08 120.64 112.67 2yqm n GLU 10 Ca 0.01 -3.56 -0.29 0.00 -0.16 0.00 0.00 57.16 53.15 2yqm n GLU 10 Cb 0.62 -1.63 -0.16 0.00 1.43 0.00 0.00 31.44 31.71 2yqm n GLU 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2yqm s VAL 11 N -3.81 1.85 0.16 3.84 0.11 -1.26 -5.00 120.40 116.29 2yqm s VAL 11 Ca 0.30 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2yqm s VAL 11 Cb 0.36 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2yqm s VAL 11 CO -0.02 0.48 0.00 0.59 -3.33 0.00 0.00 175.10 172.82 2yqm n ASN 12 N 2.39 -0.64 -3.68 3.54 3.02 -1.26 -5.16 115.26 113.48 2yqm n ASN 12 Ca -0.16 0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 54.51 2yqm n ASN 12 Cb 0.52 0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 40.36 2yqm n ASN 12 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2yqm s GLN 13 N -2.00 1.56 0.04 3.52 -0.21 -1.26 -5.17 119.66 116.14 2yqm s GLN 13 Ca 0.00 -1.83 -0.00 0.00 0.02 0.00 0.00 55.36 53.55 2yqm s GLN 13 Cb 0.00 0.32 -0.04 0.00 1.00 0.00 0.00 33.01 34.29 2yqm s GLN 13 CO 0.00 -0.57 0.17 0.00 -2.12 0.00 0.00 175.29 172.78 2yqm s ALA 14 N -3.69 3.90 -0.17 6.09 0.00 -1.26 -5.10 121.76 121.53 2yqm s ALA 14 Ca 0.39 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 2yqm s ALA 14 Cb 0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2yqm s ALA 14 CO 0.21 0.79 0.11 -1.17 0.00 0.00 0.00 175.76 175.69 2yqm s LEU 15 N -2.29 4.12 -0.39 0.00 2.96 -1.26 -5.02 118.68 116.80 2yqm s LEU 15 Ca 0.31 0.24 0.11 0.00 -0.22 0.00 0.00 54.13 54.57 2yqm s LEU 15 Cb -0.13 -2.04 0.32 0.00 0.50 0.00 0.00 46.19 44.84 2yqm s LEU 15 CO 0.24 0.24 0.68 0.29 -1.32 0.00 0.00 176.35 176.48 2yqm n LYS 16 N 3.09 1.00 -2.24 1.98 5.02 -1.26 -5.02 118.16 120.74 2yqm n LYS 16 Ca -0.17 -3.41 -0.43 0.00 -2.02 0.00 0.00 58.31 52.28 2yqm n LYS 16 Cb 0.53 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2yqm n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yqm n GLY 17 N 0.58 4.39 3.37 0.72 0.00 -1.26 -4.94 105.19 108.05 2yqm n GLY 17 Ca 0.24 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 1.56 2.31 -0.44 1.61 3.76 -1.26 -5.06 115.29 117.77 2yqm s HIS 18 Ca 0.43 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2yqm s HIS 18 Cb 0.09 -1.31 0.33 0.00 1.11 0.00 0.00 32.58 32.79 2yqm s HIS 18 CO -0.02 0.24 1.06 0.00 -0.85 0.00 0.00 174.74 175.17 2yqm n ALA 19 N 1.30 -0.31 -0.66 -1.40 0.00 -1.26 -5.15 120.51 113.04 2yqm n ALA 19 Ca -0.17 -1.78 -0.32 0.00 0.00 0.00 0.00 53.44 51.16 2yqm n ALA 19 Cb 0.52 -1.12 0.18 0.00 0.00 0.00 0.00 19.45 19.03 2yqm n ALA 19 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2yqm n TRP 20 N 0.34 -1.41 -3.98 0.00 2.14 -1.26 -4.98 117.44 108.29 2yqm n TRP 20 Ca 0.09 0.12 -0.34 0.00 2.07 0.00 0.00 57.50 59.44 2yqm n TRP 20 Cb 0.69 -1.57 -0.14 0.00 -0.81 0.00 0.00 31.31 29.48 2yqm n TRP 20 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2yqm s LEU 21 N -1.67 3.38 -0.24 5.67 1.43 -1.26 -5.08 118.68 120.91 2yqm s LEU 21 Ca 0.57 -1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 2yqm s LEU 21 Cb -0.13 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.51 2yqm s LEU 21 CO 0.66 -0.17 0.64 -0.54 0.23 0.00 0.00 176.35 177.17 2yqm s LYS 22 N 1.26 0.73 -0.28 1.70 1.02 -1.26 -5.05 119.74 117.85 2yqm s LYS 22 Ca -0.03 0.94 0.09 0.00 0.02 0.00 0.00 55.97 56.99 2yqm s LYS 22 Cb -0.18 0.31 0.46 0.00 -0.52 0.00 0.00 37.83 37.91 2yqm s LYS 22 CO -0.04 -0.10 1.18 -0.25 -0.92 0.00 0.00 175.35 175.22 2yqm n ASP 23 N 3.04 4.34 0.04 2.83 8.00 -1.26 -4.75 116.55 128.79 2yqm n ASP 23 Ca -0.15 -3.54 0.00 0.00 0.71 0.00 0.00 54.79 51.81 2yqm n ASP 23 Cb 0.56 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.71 0.00 -2.34 -2.24 8.00 -1.26 -5.14 116.55 112.86 2yqm n ASP 24 Ca 0.38 0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.98 2yqm n ASP 24 Cb 0.94 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 2yqm n ASP 24 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2yqm n GLU 25 N -2.85 -4.15 -3.28 -1.24 2.13 -1.26 -5.07 120.64 104.91 2yqm n GLU 25 Ca 0.00 3.15 0.00 0.00 0.66 0.00 0.00 57.16 60.98 2yqm n GLU 25 Cb 0.05 -4.38 -0.03 0.00 0.27 0.00 0.00 31.44 27.35 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yqm s ALA 26 N -0.55 -1.97 -0.18 4.31 0.00 -1.26 -5.04 121.76 117.08 2yqm s ALA 26 Ca -0.17 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 2yqm s ALA 26 Cb 0.01 -1.98 -0.22 0.00 0.00 0.00 0.00 23.12 20.93 2yqm s ALA 26 CO 0.45 -1.23 0.11 0.25 0.00 0.00 0.00 175.76 175.34 2yqm n THR 27 N 5.42 1.66 -4.41 0.00 -2.24 -1.26 -5.03 114.28 108.42 2yqm n THR 27 Ca -0.03 -0.59 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 2yqm n THR 27 Cb 0.50 -1.63 -0.08 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.54 1.73 0.78 4.78 3.76 -1.26 -4.20 115.29 118.35 2yqm s HIS 28 Ca -0.28 -1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 53.12 2yqm s HIS 28 Cb 0.08 -0.97 0.06 0.00 1.11 0.00 0.00 32.58 32.86 2yqm s HIS 28 CO 0.69 -0.50 1.09 0.00 -0.85 0.00 0.00 174.74 175.17 2yqm n ARG 30 N -3.57 2.94 0.04 0.00 3.00 -1.25 -3.99 116.66 113.84 2yqm n ARG 30 Ca 0.09 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.88 2yqm n ARG 30 Cb 0.53 -2.08 0.00 0.00 0.00 0.00 0.00 32.46 30.91 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 -0.60 0.00 0.18 -0.14 7.27 -1.26 -4.92 117.38 117.90 2yqm n GLN 31 Ca 0.40 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.52 2yqm n GLN 31 Cb 1.30 0.00 0.26 0.00 2.41 0.00 0.00 30.24 34.21 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 -3.45 -3.82 -4.45 0.00 2.13 -1.26 -5.02 120.64 104.78 2yqm n GLU 33 Ca 0.00 0.72 -0.28 0.00 0.66 0.00 0.00 57.16 58.26 2yqm n GLU 33 Cb 0.57 -5.22 -0.13 0.00 0.27 0.00 0.00 31.44 26.92 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 -4.68 1.38 0.06 5.31 -0.14 -1.26 -4.86 119.74 115.55 2yqm s LYS 34 Ca 0.18 -1.25 -0.31 0.00 -1.36 0.00 0.00 55.97 53.23 2yqm s LYS 34 Cb -0.02 -1.76 -0.07 0.00 -1.68 0.00 0.00 37.83 34.29 2yqm s LYS 34 CO 0.61 0.42 1.45 -2.00 -0.76 0.00 0.00 175.35 175.08 2yqm s GLU 35 N -1.87 4.28 0.35 1.68 2.12 -1.26 -3.08 118.70 120.92 2yqm s GLU 35 Ca 0.12 2.09 -0.27 0.00 0.36 0.00 0.00 54.97 57.27 2yqm s GLU 35 Cb -0.10 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.75 2yqm s GLU 35 CO 0.05 -0.56 1.21 -0.06 -0.54 0.00 0.00 175.26 175.36 2yqm s PHE 36 N 1.94 3.15 0.44 5.30 0.08 -1.26 -5.03 117.98 122.61 2yqm s PHE 36 Ca 0.66 1.53 0.02 0.00 0.12 0.00 0.00 56.93 59.27 2yqm s PHE 36 Cb -0.35 -3.48 -0.01 0.00 -0.57 0.00 0.00 43.02 38.60 2yqm s PHE 36 CO 0.29 -1.38 0.08 0.43 -0.10 0.00 0.00 175.22 174.54 2yqm n SER 37 N 0.55 2.15 -0.10 1.36 7.64 -1.24 -5.04 113.62 118.94 2yqm n SER 37 Ca 0.02 -3.15 -0.12 0.00 1.01 0.00 0.00 58.87 56.62 2yqm n SER 37 Cb 0.44 0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 64.33 2yqm n SER 37 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2yqm h ILE 38 N 1.49 1.30 0.00 0.44 5.03 -2.00 -2.91 117.51 120.86 2yqm h ILE 38 Ca -0.36 -1.26 -0.02 0.00 -0.12 0.00 0.00 64.86 63.11 2yqm h ILE 38 Cb 1.22 1.51 -0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2yqm h ILE 38 CO 0.58 0.40 -0.08 -1.28 -0.68 0.00 0.00 178.15 177.09 2yqm h SER 39 N 0.34 0.00 -3.81 1.72 0.87 -2.02 -3.34 113.55 107.32 2yqm h SER 39 Ca 0.06 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.93 2yqm h SER 39 Cb 0.68 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.28 2yqm h SER 39 CO 0.04 0.08 -0.49 -0.60 -0.53 0.00 0.00 176.83 175.34 2yqm s ARG 40 N -4.58 2.20 1.06 2.24 6.06 -1.10 -5.08 118.95 119.76 2yqm s ARG 40 Ca -0.04 -2.16 -0.16 0.00 -2.50 0.00 0.00 55.73 50.87 2yqm s ARG 40 Cb 0.15 -3.61 0.22 0.00 0.06 0.00 0.00 34.95 31.77 2yqm s ARG 40 CO 0.61 -1.11 1.15 1.03 -2.50 0.00 0.00 175.30 174.48 2yqm s ARG 41 N 0.56 -0.12 0.03 5.12 1.81 -1.26 -3.72 118.95 121.37 2yqm s ARG 41 Ca 0.12 0.05 -0.24 0.00 -1.72 0.00 0.00 55.73 53.95 2yqm s ARG 41 Cb -0.22 -1.71 -0.05 0.00 -0.45 0.00 0.00 34.95 32.51 2yqm s ARG 41 CO -0.04 -3.00 0.72 0.15 -0.68 0.00 0.00 175.30 172.45 2yqm s LYS 42 N -5.38 4.45 -0.24 3.54 1.02 -1.26 -4.46 119.74 117.41 2yqm s LYS 42 Ca 0.69 0.97 -0.01 0.00 0.02 0.00 0.00 55.97 57.64 2yqm s LYS 42 Cb -0.11 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 2yqm s LYS 42 CO 0.55 0.30 -0.08 -1.01 -0.92 0.00 0.00 175.35 174.19 2yqm s HIS 43 N -0.08 3.03 0.29 3.18 3.76 -0.52 -5.00 115.29 119.94 2yqm s HIS 43 Ca 0.36 -1.57 -0.16 0.00 -0.15 0.00 0.00 55.06 53.55 2yqm s HIS 43 Cb -0.20 -2.03 -0.09 0.00 1.11 0.00 0.00 32.58 31.37 2yqm s HIS 43 CO 0.21 -0.74 0.73 -1.01 -0.85 0.00 0.00 174.74 173.08 2yqm s HIS 44 N 1.32 3.44 -0.01 1.40 3.76 -1.26 -2.40 115.29 121.54 2yqm s HIS 44 Ca 0.01 1.25 -0.05 0.00 -0.15 0.00 0.00 55.06 56.12 2yqm s HIS 44 Cb -0.16 -2.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 2yqm s HIS 44 CO -0.06 0.16 0.21 0.00 -0.85 0.00 0.00 174.74 174.21 2yqm n ARG 46 N 1.11 4.74 0.00 0.00 3.00 -1.26 -3.65 116.66 120.59 2yqm n ARG 46 Ca -0.12 -3.13 0.00 0.00 -0.01 0.00 0.00 57.85 54.59 2yqm n ARG 46 Cb 0.53 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.77 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 0.73 0.00 0.13 0.55 5.15 -1.26 -4.89 115.26 115.67 2yqm n ASN 47 Ca 0.28 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.27 2yqm n ASN 47 Cb 1.16 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 40.48 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 0.95 0.03 3.25 0.00 0.00 -1.24 -5.06 105.19 103.12 2yqm n GLY 49 Ca 0.01 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2yqm n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yqm n HIS 50 N -2.25 -0.12 -4.19 1.61 8.25 -1.26 -4.91 115.22 112.34 2yqm n HIS 50 Ca -0.03 -2.62 -0.35 0.00 -0.26 0.00 0.00 57.72 54.45 2yqm n HIS 50 Cb 0.55 0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.65 2yqm n HIS 50 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yqm s ILE 51 N -3.14 4.68 0.17 1.59 -1.09 -1.26 -2.86 121.20 119.28 2yqm s ILE 51 Ca 0.26 -0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.43 2yqm s ILE 51 Cb 0.01 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.90 2yqm s ILE 51 CO 0.18 0.58 0.42 -0.36 -1.23 0.00 0.00 174.94 174.54 2yqm s PHE 52 N -0.66 -0.02 0.48 3.97 0.08 -1.01 -3.74 117.98 117.08 2yqm s PHE 52 Ca 0.11 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.87 2yqm s PHE 52 Cb -0.12 0.24 0.02 0.00 -0.57 0.00 0.00 43.02 42.59 2yqm s PHE 52 CO 0.02 -0.80 0.68 0.00 -0.10 0.00 0.00 175.22 175.02 2yqm h ASN 54 N 0.34 0.00 1.34 0.00 -0.73 -1.90 0.28 115.58 114.91 2yqm h ASN 54 Ca -0.42 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 57.64 2yqm h ASN 54 Cb 1.28 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.86 2yqm h ASN 54 CO 0.50 0.00 -0.55 0.74 -0.37 0.00 0.00 177.43 177.75 2yqm h THR 55 N 0.00 0.97 -0.38 -3.57 2.02 -1.97 -3.20 112.91 106.78 2yqm h THR 55 Ca 0.13 -2.27 -0.15 0.00 0.77 0.00 0.00 66.41 64.89 2yqm h THR 55 Cb 0.70 2.41 -0.09 0.00 -1.74 0.00 0.00 68.15 69.43 2yqm h THR 55 CO -0.00 0.54 0.02 0.00 0.37 0.00 0.00 175.52 176.44 2yqm n SER 57 N -0.89 -1.23 -2.54 0.00 7.64 -0.41 -1.97 113.62 114.22 2yqm n SER 57 Ca 0.32 -2.20 -0.34 0.00 1.01 0.00 0.00 58.87 57.66 2yqm n SER 57 Cb 1.05 0.59 0.04 0.00 -1.01 0.00 0.00 64.21 64.88 2yqm n SER 57 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yqm n SER 58 N -1.46 6.66 -3.70 6.43 3.41 -1.21 -4.72 113.62 119.02 2yqm n SER 58 Ca -0.16 -3.79 -0.13 0.00 -0.26 0.00 0.00 58.87 54.53 2yqm n SER 58 Cb 0.87 -0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.13 -0.53 0.21 4.04 0.01 -1.26 -5.08 114.94 110.20 2yqm s ASN 59 Ca 0.55 1.01 0.09 0.00 -0.71 0.00 0.00 52.86 53.79 2yqm s ASN 59 Cb 0.45 1.00 -0.04 0.00 0.41 0.00 0.00 41.25 43.06 2yqm s ASN 59 CO -0.20 -0.18 -0.03 -1.61 -1.51 0.00 0.00 177.10 173.58 2yqm s GLU 60 N 0.46 2.26 -0.12 -0.60 8.01 -1.26 -1.84 118.70 125.60 2yqm s GLU 60 Ca -0.02 -1.28 -0.16 0.00 0.01 0.00 0.00 54.97 53.53 2yqm s GLU 60 Cb -0.04 -2.22 0.04 0.00 -4.31 0.00 0.00 34.13 27.60 2yqm s GLU 60 CO -0.02 0.41 0.41 -1.17 0.01 0.00 0.00 175.26 174.91 2yqm s LEU 61 N -3.22 0.42 -0.59 1.80 2.96 -1.12 -4.94 118.68 113.99 2yqm s LEU 61 Ca 0.28 0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 54.62 2yqm s LEU 61 Cb -0.08 1.47 0.04 0.00 0.50 0.00 0.00 46.19 48.12 2yqm s LEU 61 CO 0.18 -0.23 1.09 0.00 -1.32 0.00 0.00 176.35 176.06 2yqm s ALA 62 N -0.17 3.04 0.38 5.97 0.00 -1.26 -3.07 121.76 126.64 2yqm s ALA 62 Ca -0.03 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 2yqm s ALA 62 Cb -0.03 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2yqm s ALA 62 CO 0.02 -2.63 0.62 -0.51 0.00 0.00 0.00 175.76 173.26 2yqm s LEU 63 N 4.58 3.90 0.36 0.00 1.43 -1.26 -4.95 118.68 122.74 2yqm s LEU 63 Ca 0.35 0.64 0.27 0.00 -1.03 0.00 0.00 54.13 54.36 2yqm s LEU 63 Cb -0.10 -3.52 1.12 0.00 0.03 0.00 0.00 46.19 43.72 2yqm s LEU 63 CO 0.21 -0.36 1.80 1.55 0.23 0.00 0.00 176.35 179.78 2yqm h PRO 64 N 0.74 0.00 0.00 1.29 0.13 -1.98 -3.15 132.00 129.03 2yqm h PRO 64 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 1.03 -0.23 0.00 0.00 178.00 179.42 2yqm h SER 65 N 0.00 -0.00 -2.63 1.44 0.87 -1.98 -3.46 113.55 107.80 2yqm h SER 65 Ca 0.00 -0.84 -0.56 0.00 -1.23 0.00 0.00 61.79 59.17 2yqm h SER 65 Cb 0.40 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 2yqm h SER 65 CO 0.00 0.84 -0.48 -0.31 -0.53 0.00 0.00 176.83 176.35 2yqm s TYR 66 N -2.83 3.47 0.12 2.24 2.02 -1.19 -5.03 117.35 116.15 2yqm s TYR 66 Ca -0.18 0.13 -0.13 0.00 -0.37 0.00 0.00 57.07 56.52 2yqm s TYR 66 Cb -0.02 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.81 2yqm s TYR 66 CO 0.68 0.53 1.45 -1.00 -1.57 0.00 0.00 175.55 175.64 2yqm h PRO 67 N 2.32 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 122.00 2yqm h PRO 67 Ca -0.48 -0.44 -0.59 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 0.00 178.00 177.28 2yqm s LYS 68 N -4.39 2.21 -0.08 0.86 -2.85 -1.26 -4.94 119.74 109.28 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 -2.16 -0.04 0.00 -2.06 0.00 0.00 37.83 33.66 2yqm s LYS 68 CO 0.86 0.39 1.52 -1.25 0.10 0.00 0.00 175.35 176.97 2yqm s PRO 69 N -3.33 4.20 0.50 1.78 0.04 -1.26 -4.62 135.00 132.31 2yqm s PRO 69 Ca 0.29 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.41 2yqm s PRO 69 Cb -0.07 -3.89 0.09 0.00 0.04 0.00 0.00 34.50 30.66 2yqm s PRO 69 CO 0.18 -0.79 0.69 1.33 0.04 0.00 0.00 177.00 178.46 2yqm n VAL 70 N 5.39 0.00 -2.69 -0.36 0.24 -1.18 -4.69 118.33 115.05 2yqm n VAL 70 Ca 0.16 -1.53 -0.43 0.00 -2.04 0.00 0.00 64.34 60.50 2yqm n VAL 70 Cb 0.43 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.10 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 -4.26 4.05 0.53 7.34 3.52 -1.26 -2.79 118.95 126.07 2yqm s ARG 71 Ca 0.51 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 57.11 2yqm s ARG 71 Cb -0.04 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2yqm s ARG 71 CO 0.33 -0.86 0.05 0.14 -0.81 0.00 0.00 175.30 174.15 2yqm s VAL 72 N 3.53 1.12 0.26 7.11 -7.23 -0.77 -4.17 120.40 120.26 2yqm s VAL 72 Ca 0.43 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2yqm s VAL 72 Cb -0.13 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2yqm s VAL 72 CO 0.15 0.00 0.45 0.00 -0.31 0.00 0.00 175.10 175.39 2yqm h ASP 74 N 1.40 0.00 0.39 0.00 3.32 -1.74 0.13 116.42 119.92 2yqm h ASP 74 Ca -0.49 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2yqm h ASP 74 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2yqm h ASP 74 CO 0.64 0.00 -0.23 -1.28 -1.72 0.00 0.00 179.24 176.66 2yqm h SER 75 N 0.00 0.00 0.01 6.45 0.87 -1.94 -2.15 113.55 116.79 2yqm h SER 75 Ca 0.13 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.36 2yqm h SER 75 Cb 0.55 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 2yqm h SER 75 CO -0.00 0.23 -1.81 0.00 -0.53 0.00 0.00 176.83 174.71 2yqm h HIS 77 N -0.84 -1.06 -0.30 0.00 6.17 -1.07 0.21 115.15 118.26 2yqm h HIS 77 Ca -0.48 0.02 0.04 0.00 0.71 0.00 0.00 60.37 60.66 2yqm h HIS 77 Cb 1.51 0.43 -0.04 0.00 2.52 0.00 0.00 27.41 31.83 2yqm h HIS 77 CO 0.03 -0.45 0.05 1.15 0.71 0.00 0.00 177.93 179.42 2yqm h THR 78 N -0.62 0.84 0.14 6.26 2.02 -1.63 0.22 112.91 120.15 2yqm h THR 78 Ca -0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2yqm h THR 78 Cb 0.58 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2yqm h THR 78 CO -0.13 0.03 -0.26 0.25 0.37 0.00 0.00 175.52 175.77 2yqm h LEU 79 N 0.15 -0.76 -1.25 2.58 5.85 -1.54 0.15 115.31 120.49 2yqm h LEU 79 Ca 0.14 0.07 0.19 0.00 0.84 0.00 0.00 57.88 59.12 2yqm h LEU 79 Cb 0.16 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2yqm h LEU 79 CO -0.19 -0.31 0.61 -0.07 -0.34 0.00 0.00 178.44 178.14 2yqm h LEU 80 N -0.44 0.62 -0.64 2.25 3.38 -0.51 0.21 115.31 120.19 2yqm h LEU 80 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2yqm h LEU 80 Cb 0.41 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2yqm h LEU 80 CO -0.10 0.25 0.27 -0.07 0.09 0.00 0.00 178.44 178.88 2yqm h LEU 81 N 0.62 0.87 -3.77 1.67 3.38 -0.24 -2.69 115.31 115.15 2yqm h LEU 81 Ca 0.52 -0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.80 2yqm h LEU 81 Cb 0.98 -0.23 -0.22 0.00 0.09 0.00 0.00 40.66 41.28 2yqm h LEU 81 CO -0.27 0.79 0.68 0.00 0.09 0.00 0.00 178.44 179.74 2yqm n GLN 82 N -4.44 2.31 -1.87 1.13 6.02 0.45 -4.94 117.38 116.04 2yqm n GLN 82 Ca 0.04 -2.55 -0.39 0.00 -0.01 0.00 0.00 57.00 54.09 2yqm n GLN 82 Cb 0.16 -2.00 -0.03 0.00 1.02 0.00 0.00 30.24 29.39 2yqm n GLN 82 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2yqm s ARG 83 N -2.97 2.71 0.15 -1.09 3.52 -1.01 -4.94 118.95 115.32 2yqm s ARG 83 Ca 0.50 1.14 0.06 0.00 -0.13 0.00 0.00 55.73 57.30 2yqm s ARG 83 Cb 0.40 -4.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2yqm s ARG 83 CO -0.01 -2.60 -0.12 0.00 -0.81 0.00 0.00 175.30 171.76 2yqm n SER 85 N -0.05 7.20 -4.16 0.00 3.41 -1.26 -4.87 113.62 113.89 2yqm n SER 85 Ca -0.11 -3.61 -0.38 0.00 -0.26 0.00 0.00 58.87 54.52 2yqm n SER 85 Cb 0.60 -1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.34 2yqm n SER 85 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yqm s SER 86 N -0.71 5.39 -0.19 4.04 0.01 -1.26 -5.05 113.70 115.93 2yqm s SER 86 Ca 0.54 -1.93 -0.18 0.00 1.31 0.00 0.00 55.95 55.70 2yqm s SER 86 Cb 0.42 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.82 2yqm s SER 86 CO -0.28 -0.57 0.51 0.28 0.41 0.00 0.00 173.24 173.58 2yqm s THR 87 N 1.23 0.00 0.13 1.44 -1.32 -1.26 -5.18 115.64 110.68 2yqm s THR 87 Ca 0.07 -0.01 -0.01 0.00 -1.21 0.00 0.00 61.69 60.52 2yqm s THR 87 Cb -0.24 -0.71 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 2yqm s THR 87 CO -0.03 -0.00 0.07 0.00 -2.21 0.00 0.00 174.62 172.45 2yqm s ALA 88 N 0.23 0.80 -2.35 11.08 0.00 -1.26 -5.31 121.76 124.96 2yqm s ALA 88 Ca -0.00 -1.43 0.19 0.00 0.00 0.00 0.00 51.96 50.71 2yqm s ALA 88 Cb -0.04 0.86 0.15 0.00 0.00 0.00 0.00 23.12 24.09 2yqm s ALA 88 CO 0.01 -0.50 1.09 0.43 0.00 0.00 0.00 175.76 176.80