#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 6.59 -0.16 1.61 1.04 -1.26 -4.87 113.70 116.65 2yqm s SER 2 Ca 0.00 2.36 0.16 0.00 0.48 0.00 0.00 55.95 58.95 2yqm s SER 2 Cb 0.00 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.02 2yqm s SER 2 CO 0.00 -0.98 1.20 -0.24 0.98 0.00 0.00 173.24 174.20 2yqm n SER 3 N 7.32 1.81 -2.35 7.02 2.88 -1.26 -5.07 113.62 123.97 2yqm n SER 3 Ca 0.18 -3.22 -0.03 0.00 -1.33 0.00 0.00 58.87 54.47 2yqm n SER 3 Cb 0.42 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2yqm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqm n GLY 4 N -0.57 2.75 2.54 0.46 0.00 -1.26 -5.12 105.19 103.99 2yqm n GLY 4 Ca 0.17 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.41 3.38 -0.93 1.61 0.01 -1.26 -5.03 113.70 110.07 2yqm s SER 5 Ca 0.05 -1.71 -0.00 0.00 1.31 0.00 0.00 55.95 55.60 2yqm s SER 5 Cb -0.00 -0.45 0.31 0.00 0.21 0.00 0.00 66.02 66.09 2yqm s SER 5 CO 0.03 -0.38 1.47 -1.54 0.41 0.00 0.00 173.24 173.23 2yqm n SER 6 N 4.70 6.26 0.00 2.44 3.41 -1.26 -4.90 113.62 124.27 2yqm n SER 6 Ca 0.02 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 2yqm n SER 6 Cb 0.40 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2yqm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqm n GLY 7 N 0.42 2.97 3.65 5.00 0.00 -1.26 -5.11 105.19 110.86 2yqm n GLY 7 Ca 0.36 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 4.27 -0.41 -0.61 1.09 -1.26 -4.94 121.20 119.34 2yqm s ILE 8 Ca 0.00 1.49 0.07 0.00 -1.10 0.00 0.00 60.65 61.10 2yqm s ILE 8 Cb 0.00 -4.11 0.18 0.00 -1.06 0.00 0.00 42.46 37.47 2yqm s ILE 8 CO 0.00 -0.30 0.66 -0.75 -0.10 0.00 0.00 174.94 174.45 2yqm s LYS 9 N 3.77 0.77 -0.46 2.79 2.36 -1.26 -5.04 119.74 122.67 2yqm s LYS 9 Ca 0.54 -0.26 0.08 0.00 -2.55 0.00 0.00 55.97 53.78 2yqm s LYS 9 Cb -0.18 0.09 0.39 0.00 -1.05 0.00 0.00 37.83 37.08 2yqm s LYS 9 CO 0.18 -1.12 0.99 -0.85 1.55 0.00 0.00 175.35 176.09 2yqm n GLU 10 N 4.34 2.76 -4.57 4.03 0.28 -1.26 -5.06 120.64 121.16 2yqm n GLU 10 Ca 0.11 -4.33 -0.34 0.00 -0.16 0.00 0.00 57.16 52.44 2yqm n GLU 10 Cb 0.57 -2.04 -0.12 0.00 1.43 0.00 0.00 31.44 31.28 2yqm n GLU 10 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2yqm s VAL 11 N -4.46 3.66 -0.31 3.84 1.01 -1.26 -5.08 120.40 117.80 2yqm s VAL 11 Ca 0.45 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2yqm s VAL 11 Cb 0.36 -2.55 0.18 0.00 0.00 0.00 0.00 36.38 34.37 2yqm s VAL 11 CO -0.13 0.54 0.51 0.21 0.00 0.00 0.00 175.10 176.23 2yqm s ASN 12 N -0.12 -0.63 0.02 3.32 3.84 -1.26 -5.15 114.94 114.96 2yqm s ASN 12 Ca 0.01 -0.30 0.06 0.00 0.21 0.00 0.00 52.86 52.85 2yqm s ASN 12 Cb -0.13 1.56 -0.02 0.00 -0.55 0.00 0.00 41.25 42.11 2yqm s ASN 12 CO 0.03 -0.30 -0.19 -1.58 -2.79 0.00 0.00 177.10 172.27 2yqm s GLN 13 N 2.48 1.35 0.11 0.43 0.74 -1.26 -5.15 119.66 118.36 2yqm s GLN 13 Ca 0.11 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.77 2yqm s GLN 13 Cb -0.10 -1.39 -0.04 0.00 1.10 0.00 0.00 33.01 32.58 2yqm s GLN 13 CO -0.23 0.36 -0.13 0.00 -0.55 0.00 0.00 175.29 174.74 2yqm s ALA 14 N -0.67 1.38 -0.01 1.58 0.00 -1.26 -5.15 121.76 117.62 2yqm s ALA 14 Ca 0.06 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2yqm s ALA 14 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2yqm s ALA 14 CO 0.01 0.09 -0.02 -0.48 0.00 0.00 0.00 175.76 175.36 2yqm s LEU 15 N -2.34 1.70 -0.15 0.00 0.05 -1.26 -5.02 118.68 111.66 2yqm s LEU 15 Ca 0.07 -0.04 0.06 0.00 0.05 0.00 0.00 54.13 54.26 2yqm s LEU 15 Cb -0.05 -0.18 0.18 0.00 -2.05 0.00 0.00 46.19 44.09 2yqm s LEU 15 CO 0.02 -0.01 1.21 1.17 -0.55 0.00 0.00 176.35 178.19 2yqm n LYS 16 N 3.43 0.60 0.00 1.48 3.00 -1.26 -5.08 118.16 120.32 2yqm n LYS 16 Ca -0.18 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.07 2yqm n LYS 16 Cb 0.56 0.46 0.00 0.00 0.00 0.00 0.00 35.03 36.05 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 -0.68 -1.33 3.36 3.14 0.00 -1.26 -5.05 105.19 103.36 2yqm n GLY 17 Ca -0.23 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 2yqm n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yqm n HIS 18 N 0.00 -2.39 -3.53 1.61 8.25 -1.26 -5.02 115.22 112.88 2yqm n HIS 18 Ca 0.00 0.80 -0.22 0.00 -0.26 0.00 0.00 57.72 58.04 2yqm n HIS 18 Cb 0.00 -3.88 -0.00 0.00 1.12 0.00 0.00 29.99 27.23 2yqm n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yqm s ALA 19 N -3.32 4.33 -0.20 -1.41 0.00 -1.26 -5.12 121.76 114.78 2yqm s ALA 19 Ca 0.36 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 2yqm s ALA 19 Cb -0.08 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2yqm s ALA 19 CO 0.78 -0.42 -0.08 1.67 0.00 0.00 0.00 175.76 177.72 2yqm s TRP 20 N -2.60 2.91 -0.22 0.00 1.48 -1.26 -5.08 118.94 114.17 2yqm s TRP 20 Ca 0.47 -0.94 -0.02 0.00 -1.06 0.00 0.00 56.10 54.55 2yqm s TRP 20 Cb -0.04 -2.03 0.07 0.00 -1.16 0.00 0.00 33.47 30.31 2yqm s TRP 20 CO 0.28 -0.49 0.05 -0.51 -4.06 0.00 0.00 176.95 172.22 2yqm s LEU 21 N 1.21 1.42 -0.28 -4.66 1.43 -1.26 -5.09 118.68 111.45 2yqm s LEU 21 Ca 0.02 -1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 51.82 2yqm s LEU 21 Cb -0.14 -0.66 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 2yqm s LEU 21 CO -0.03 -0.33 2.21 -1.59 0.23 0.00 0.00 176.35 176.84 2yqm s LYS 22 N 1.80 2.98 -0.35 1.70 -2.85 -1.26 -4.91 119.74 116.84 2yqm s LYS 22 Ca 0.01 1.86 -0.00 0.00 -1.00 0.00 0.00 55.97 56.84 2yqm s LYS 22 Cb -0.17 -4.39 0.12 0.00 -2.06 0.00 0.00 37.83 31.33 2yqm s LYS 22 CO -0.13 -2.28 0.18 -0.51 0.10 0.00 0.00 175.35 172.71 2yqm s ASP 23 N 8.71 3.50 0.19 0.03 1.11 -1.26 -4.99 116.67 123.96 2yqm s ASP 23 Ca 0.98 -2.01 -0.09 0.00 0.18 0.00 0.00 52.55 51.62 2yqm s ASP 23 Cb -0.29 -0.66 0.09 0.00 1.07 0.00 0.00 42.92 43.13 2yqm s ASP 23 CO 0.33 -0.35 1.66 -2.24 1.18 0.00 0.00 175.17 175.76 2yqm h ASP 24 N 7.45 1.05 0.00 0.27 2.03 -2.06 -3.46 116.42 121.71 2yqm h ASP 24 Ca -0.05 -0.28 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2yqm h ASP 24 Cb 0.98 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2yqm h ASP 24 CO 0.40 1.08 0.00 -0.62 -1.03 0.00 0.00 179.24 179.07 2yqm n GLU 25 N -4.19 0.00 -2.98 4.15 1.02 -1.26 -5.11 120.64 112.27 2yqm n GLU 25 Ca 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2yqm n GLU 25 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqm s ALA 26 N -1.40 -3.82 -0.04 0.62 0.00 -1.26 -5.03 121.76 110.83 2yqm s ALA 26 Ca 0.00 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2yqm s ALA 26 Cb 0.00 -2.88 -0.25 0.00 0.00 0.00 0.00 23.12 19.99 2yqm s ALA 26 CO 0.00 -2.29 0.68 1.15 0.00 0.00 0.00 175.76 175.31 2yqm h THR 27 N 4.20 0.93 -3.68 0.00 2.02 -1.98 -3.48 112.91 110.92 2yqm h THR 27 Ca -0.03 -2.68 -0.33 0.00 0.77 0.00 0.00 66.41 64.14 2yqm h THR 27 Cb 1.21 2.57 -0.14 0.00 -1.74 0.00 0.00 68.15 70.04 2yqm h THR 27 CO -0.03 0.73 -0.64 -1.00 0.37 0.00 0.00 175.52 174.94 2yqm s HIS 28 N -2.60 1.40 0.87 3.16 3.76 -1.26 -3.89 115.29 116.72 2yqm s HIS 28 Ca -0.10 -1.06 -0.10 0.00 -0.15 0.00 0.00 55.06 53.64 2yqm s HIS 28 Cb 0.07 -0.81 0.11 0.00 1.11 0.00 0.00 32.58 33.07 2yqm s HIS 28 CO 0.82 -0.23 1.12 0.00 -0.85 0.00 0.00 174.74 175.60 2yqm n ARG 30 N -3.95 2.52 0.15 0.00 3.00 -1.25 -4.03 116.66 113.10 2yqm n ARG 30 Ca 0.10 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.89 2yqm n ARG 30 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 -0.80 0.00 0.12 -0.14 7.27 -1.26 -4.92 117.38 117.65 2yqm n GLN 31 Ca 0.35 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.43 2yqm n GLN 31 Cb 1.16 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.80 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 -3.22 -2.71 -4.67 0.00 2.13 -1.26 -5.03 120.64 105.89 2yqm n GLU 33 Ca 0.01 0.73 -0.24 0.00 0.66 0.00 0.00 57.16 58.31 2yqm n GLU 33 Cb 0.78 -5.18 -0.16 0.00 0.27 0.00 0.00 31.44 27.14 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 -4.38 1.51 0.18 5.31 1.02 -1.26 -4.89 119.74 117.22 2yqm s LYS 34 Ca 0.30 -0.49 -0.33 0.00 0.02 0.00 0.00 55.97 55.46 2yqm s LYS 34 Cb -0.04 -1.33 -0.14 0.00 -0.52 0.00 0.00 37.83 35.80 2yqm s LYS 34 CO 0.62 0.18 1.49 -1.91 -0.92 0.00 0.00 175.35 174.81 2yqm n GLU 35 N 3.24 1.97 -2.35 1.68 2.13 -1.26 -3.49 120.64 122.56 2yqm n GLU 35 Ca -0.18 0.71 -0.42 0.00 0.66 0.00 0.00 57.16 57.92 2yqm n GLU 35 Cb 0.53 -2.42 -0.03 0.00 0.27 0.00 0.00 31.44 29.80 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 0.54 3.06 0.33 4.31 0.08 -1.25 -5.00 117.98 120.04 2yqm s PHE 36 Ca 0.76 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.87 2yqm s PHE 36 Cb -0.71 -3.53 0.01 0.00 -0.57 0.00 0.00 43.02 38.22 2yqm s PHE 36 CO 0.43 -1.82 0.09 0.45 -0.10 0.00 0.00 175.22 174.27 2yqm n SER 37 N 5.17 2.59 -0.05 1.36 2.88 -1.05 -5.01 113.62 119.53 2yqm n SER 37 Ca 0.12 -2.32 -0.11 0.00 -1.33 0.00 0.00 58.87 55.23 2yqm n SER 37 Cb 0.45 0.13 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 2yqm n SER 37 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2yqm h ILE 38 N 0.96 1.21 0.00 2.46 1.08 -2.00 -2.92 117.51 118.30 2yqm h ILE 38 Ca -0.25 -0.68 -0.09 0.00 -0.39 0.00 0.00 64.86 63.46 2yqm h ILE 38 Cb 0.80 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 2yqm h ILE 38 CO 0.40 0.20 -0.41 0.77 -0.69 0.00 0.00 178.15 178.42 2yqm h SER 39 N 0.05 0.00 -4.08 1.72 4.64 -2.01 -3.36 113.55 110.51 2yqm h SER 39 Ca 0.05 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.65 2yqm h SER 39 Cb 0.28 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.04 2yqm h SER 39 CO 0.00 0.41 -0.25 -0.13 -0.87 0.00 0.00 176.83 176.00 2yqm s ARG 40 N -4.07 2.83 0.74 4.77 3.00 -1.10 -4.99 118.95 120.13 2yqm s ARG 40 Ca -0.02 -2.53 -0.10 0.00 0.00 0.00 0.00 55.73 53.07 2yqm s ARG 40 Cb 0.14 -3.90 0.17 0.00 0.00 0.00 0.00 34.95 31.35 2yqm s ARG 40 CO 0.73 -1.20 1.01 0.54 0.00 0.00 0.00 175.30 176.38 2yqm n ARG 41 N 3.57 -0.81 -4.17 3.54 5.12 -1.24 -2.52 116.66 120.15 2yqm n ARG 41 Ca 0.10 -1.77 -0.30 0.00 -1.93 0.00 0.00 57.85 53.94 2yqm n ARG 41 Cb 0.40 -0.98 -0.09 0.00 -1.16 0.00 0.00 32.46 30.63 2yqm n ARG 41 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2yqm s LYS 42 N -5.17 2.34 0.08 5.56 -2.85 -1.26 -3.61 119.74 114.82 2yqm s LYS 42 Ca 0.59 -0.94 0.06 0.00 -1.00 0.00 0.00 55.97 54.68 2yqm s LYS 42 Cb -0.02 -2.42 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 2yqm s LYS 42 CO 0.41 0.52 -0.16 -1.01 0.10 0.00 0.00 175.35 175.21 2yqm s HIS 43 N -1.29 1.35 -0.26 1.78 3.76 0.59 -4.96 115.29 116.26 2yqm s HIS 43 Ca 0.24 -0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 2yqm s HIS 43 Cb -0.11 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 2yqm s HIS 43 CO 0.16 0.09 0.14 -1.01 -0.85 0.00 0.00 174.74 173.27 2yqm s HIS 44 N -1.22 3.16 0.41 1.40 3.76 -1.26 -2.68 115.29 118.86 2yqm s HIS 44 Ca 0.00 -0.11 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 2yqm s HIS 44 Cb -0.10 -2.31 -0.08 0.00 1.11 0.00 0.00 32.58 31.19 2yqm s HIS 44 CO 0.03 -0.24 1.24 0.00 -0.85 0.00 0.00 174.74 174.92 2yqm n ARG 46 N 0.07 4.74 0.00 0.00 3.00 -1.26 -3.63 116.66 119.58 2yqm n ARG 46 Ca 0.04 -3.12 0.00 0.00 -0.01 0.00 0.00 57.85 54.76 2yqm n ARG 46 Cb 0.45 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.70 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 0.72 0.00 0.13 0.55 5.15 -1.26 -4.89 115.26 115.66 2yqm n ASN 47 Ca 0.28 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.26 2yqm n ASN 47 Cb 1.15 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 40.42 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 1.18 -0.59 3.29 0.00 0.00 -1.24 -5.06 105.19 102.77 2yqm n GLY 49 Ca 0.01 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.02 1.71 -0.15 1.61 3.76 -1.26 -4.92 115.29 113.03 2yqm s HIS 50 Ca 0.02 -1.64 -0.05 0.00 -0.15 0.00 0.00 55.06 53.24 2yqm s HIS 50 Cb -0.00 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 2yqm s HIS 50 CO 0.30 -0.88 0.03 0.42 -0.85 0.00 0.00 174.74 173.76 2yqm s ILE 51 N -3.43 4.56 0.13 0.60 -1.09 -1.26 -2.68 121.20 118.03 2yqm s ILE 51 Ca 0.40 -0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.57 2yqm s ILE 51 Cb 0.02 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2yqm s ILE 51 CO 0.27 0.52 0.31 -0.36 -1.23 0.00 0.00 174.94 174.45 2yqm s PHE 52 N -0.06 0.06 0.62 3.97 0.08 -1.09 -3.84 117.98 117.71 2yqm s PHE 52 Ca 0.05 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.69 2yqm s PHE 52 Cb -0.12 0.09 0.08 0.00 -0.57 0.00 0.00 43.02 42.50 2yqm s PHE 52 CO 0.01 -0.67 0.85 0.00 -0.10 0.00 0.00 175.22 175.32 2yqm h ASN 54 N -0.13 0.13 1.17 0.00 -0.73 -1.90 0.18 115.58 114.30 2yqm h ASN 54 Ca -0.38 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.70 2yqm h ASN 54 Cb 1.28 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.84 2yqm h ASN 54 CO 0.45 0.07 -0.45 0.74 -0.37 0.00 0.00 177.43 177.88 2yqm h THR 55 N 0.14 0.88 -0.52 -3.57 2.02 -1.93 -2.91 112.91 107.02 2yqm h THR 55 Ca 0.23 -1.91 -0.22 0.00 0.77 0.00 0.00 66.41 65.28 2yqm h THR 55 Cb 0.74 2.20 -0.13 0.00 -1.74 0.00 0.00 68.15 69.22 2yqm h THR 55 CO -0.03 0.44 0.13 0.00 0.37 0.00 0.00 175.52 176.44 2yqm n SER 57 N -0.87 -1.05 -2.26 0.00 3.41 -0.50 -3.44 113.62 108.92 2yqm n SER 57 Ca 0.38 -1.86 -0.31 0.00 -0.26 0.00 0.00 58.87 56.81 2yqm n SER 57 Cb 1.19 0.43 0.07 0.00 -0.26 0.00 0.00 64.21 65.64 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 -0.69 7.44 -3.82 4.04 3.41 -1.11 -4.65 113.62 118.24 2yqm n SER 58 Ca -0.19 -3.63 -0.12 0.00 -0.26 0.00 0.00 58.87 54.67 2yqm n SER 58 Cb 0.73 -1.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.36 -0.06 0.17 4.04 0.01 -1.26 -5.09 114.94 111.40 2yqm s ASN 59 Ca 0.57 -0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.69 2yqm s ASN 59 Cb 0.45 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 42.32 2yqm s ASN 59 CO -0.03 -0.41 -0.14 -1.61 -1.51 0.00 0.00 177.10 173.40 2yqm s GLU 60 N -1.43 1.20 -0.15 -0.60 8.01 -1.26 -0.93 118.70 123.54 2yqm s GLU 60 Ca -0.14 -1.46 -0.18 0.00 0.01 0.00 0.00 54.97 53.20 2yqm s GLU 60 Cb -0.06 -1.00 0.05 0.00 -4.31 0.00 0.00 34.13 28.80 2yqm s GLU 60 CO 0.02 0.17 0.48 -1.17 0.01 0.00 0.00 175.26 174.77 2yqm s LEU 61 N -3.02 0.18 -0.62 1.80 2.96 -1.06 -4.93 118.68 113.99 2yqm s LEU 61 Ca 0.18 0.84 -0.26 0.00 -0.22 0.00 0.00 54.13 54.67 2yqm s LEU 61 Cb -0.02 1.67 0.04 0.00 0.50 0.00 0.00 46.19 48.38 2yqm s LEU 61 CO 0.05 -0.23 1.10 0.00 -1.32 0.00 0.00 176.35 175.94 2yqm s ALA 62 N -0.04 3.01 0.41 5.97 0.00 -1.26 -2.91 121.76 126.95 2yqm s ALA 62 Ca -0.02 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 2yqm s ALA 62 Cb -0.03 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 2yqm s ALA 62 CO 0.02 -2.72 0.69 -0.51 0.00 0.00 0.00 175.76 173.23 2yqm s LEU 63 N 4.67 3.80 0.33 0.00 1.43 -1.26 -4.95 118.68 122.70 2yqm s LEU 63 Ca 0.34 0.79 0.26 0.00 -1.03 0.00 0.00 54.13 54.49 2yqm s LEU 63 Cb -0.11 -3.70 1.09 0.00 0.03 0.00 0.00 46.19 43.51 2yqm s LEU 63 CO 0.19 -0.44 1.78 1.55 0.23 0.00 0.00 176.35 179.66 2yqm h PRO 64 N 0.63 0.00 0.01 1.29 0.13 -1.98 -3.16 132.00 128.92 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 -0.01 0.77 -0.23 0.00 0.00 178.00 179.16 2yqm h SER 65 N 0.00 -0.01 -2.69 1.44 0.02 -1.99 -3.46 113.55 106.86 2yqm h SER 65 Ca 0.00 -0.79 -0.55 0.00 -0.84 0.00 0.00 61.79 59.61 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 -0.43 -0.31 -1.14 0.00 0.00 176.83 175.77 2yqm s TYR 66 N -2.67 3.49 0.12 3.45 2.02 -1.20 -5.03 117.35 117.54 2yqm s TYR 66 Ca -0.17 0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 2yqm s TYR 66 Cb -0.02 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.75 2yqm s TYR 66 CO 0.63 0.49 1.45 -1.00 -1.57 0.00 0.00 175.55 175.54 2yqm h PRO 67 N 2.23 0.83 -6.29 -1.71 0.13 -1.90 -3.39 132.00 121.90 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 0.00 178.00 177.28 2yqm s LYS 68 N -4.39 2.22 0.09 0.86 -2.85 -1.26 -4.94 119.74 109.47 2yqm s LYS 68 Ca -0.12 -1.35 -0.31 0.00 -1.00 0.00 0.00 55.97 53.19 2yqm s LYS 68 Cb 0.10 -2.17 -0.07 0.00 -2.06 0.00 0.00 37.83 33.63 2yqm s LYS 68 CO 0.86 0.39 1.38 -1.25 0.10 0.00 0.00 175.35 176.83 2yqm s PRO 69 N -3.34 4.32 0.53 1.78 0.04 -1.26 -4.62 135.00 132.46 2yqm s PRO 69 Ca 0.29 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.43 2yqm s PRO 69 Cb -0.07 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.21 2yqm s PRO 69 CO 0.18 -0.45 0.61 1.33 0.04 0.00 0.00 177.00 178.70 2yqm n VAL 70 N 4.10 0.00 -2.83 -0.36 0.24 -1.15 -4.73 118.33 113.61 2yqm n VAL 70 Ca 0.12 -1.91 -0.43 0.00 -2.04 0.00 0.00 64.34 60.08 2yqm n VAL 70 Cb 0.43 -0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 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 -4.33 3.71 0.51 7.34 3.52 -1.26 -2.57 118.95 125.87 2yqm s ARG 71 Ca 0.46 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.47 2yqm s ARG 71 Cb -0.04 -3.85 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 2yqm s ARG 71 CO 0.29 -1.04 0.20 1.33 -0.81 0.00 0.00 175.30 175.27 2yqm n VAL 72 N 6.13 0.00 -3.67 7.11 0.24 -0.11 -4.34 118.33 123.69 2yqm n VAL 72 Ca 0.06 -2.20 -0.27 0.00 -2.04 0.00 0.00 64.34 59.89 2yqm n VAL 72 Cb 0.48 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 2yqm n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yqm h ASP 74 N 1.91 0.39 0.12 0.00 3.58 -1.92 0.29 116.42 120.80 2yqm h ASP 74 Ca -0.48 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2yqm h ASP 74 Cb 1.19 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 2yqm h ASP 74 CO 0.67 0.20 -0.06 0.28 -2.88 0.00 0.00 179.24 177.45 2yqm h SER 75 N 0.41 0.00 0.09 2.28 0.02 -1.94 0.28 113.55 114.69 2yqm h SER 75 Ca 0.38 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.96 2yqm h SER 75 Cb 0.88 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 2yqm h SER 75 CO -0.12 0.06 -2.26 0.00 -1.14 0.00 0.00 176.83 173.38 2yqm h HIS 77 N 0.02 -0.10 -0.28 0.00 6.17 -0.48 0.12 115.15 120.60 2yqm h HIS 77 Ca -0.50 -0.00 -0.13 0.00 0.71 0.00 0.00 60.37 60.45 2yqm h HIS 77 Cb 2.01 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 31.96 2yqm h HIS 77 CO 0.03 0.14 -0.35 1.15 0.71 0.00 0.00 177.93 179.61 2yqm h THR 78 N -0.33 1.29 0.45 6.26 2.02 -1.17 -2.16 112.91 119.27 2yqm h THR 78 Ca -0.01 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 2yqm h THR 78 Cb 0.28 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2yqm h THR 78 CO 0.02 0.48 -0.21 0.25 0.37 0.00 0.00 175.52 176.42 2yqm h LEU 79 N 0.51 -0.51 -1.23 2.58 5.85 -1.55 -2.20 115.31 118.77 2yqm h LEU 79 Ca 0.05 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.79 2yqm h LEU 79 Cb 0.85 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2yqm h LEU 79 CO 0.07 -0.14 0.57 -0.07 -0.34 0.00 0.00 178.44 178.54 2yqm h LEU 80 N -0.94 0.75 -1.36 2.25 3.38 -0.81 0.68 115.31 119.25 2yqm h LEU 80 Ca -0.06 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2yqm h LEU 80 Cb 0.57 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yqm h LEU 80 CO 0.10 0.42 -0.30 -0.07 0.09 0.00 0.00 178.44 178.68 2yqm h LEU 81 N 0.81 0.03 -5.54 1.67 3.38 -1.34 -3.23 115.31 111.09 2yqm h LEU 81 Ca 0.43 -0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.80 2yqm h LEU 81 Cb 0.52 -0.01 -0.42 0.00 0.09 0.00 0.00 40.66 40.85 2yqm h LEU 81 CO -0.19 0.33 -0.64 0.00 0.09 0.00 0.00 178.44 178.03 2yqm n GLN 82 N -4.17 3.03 -4.68 1.13 6.02 0.19 -5.05 117.38 113.84 2yqm n GLN 82 Ca -0.02 -4.80 -0.31 0.00 -0.01 0.00 0.00 57.00 51.86 2yqm n GLN 82 Cb 0.35 -2.23 -0.12 0.00 1.02 0.00 0.00 30.24 29.25 2yqm n GLN 82 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2yqm s ARG 83 N -3.20 2.21 -0.94 -1.09 1.70 -0.99 -4.76 118.95 111.88 2yqm s ARG 83 Ca 0.46 -0.90 -0.06 0.00 -0.47 0.00 0.00 55.73 54.76 2yqm s ARG 83 Cb 0.25 -2.26 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 2yqm s ARG 83 CO -0.11 0.56 0.81 0.00 -1.08 0.00 0.00 175.30 175.48 2yqm s SER 85 N -3.24 2.13 -0.04 0.00 0.15 -1.26 -5.07 113.70 106.36 2yqm s SER 85 Ca 0.28 -1.67 0.04 0.00 0.70 0.00 0.00 55.95 55.30 2yqm s SER 85 Cb -0.05 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 2yqm s SER 85 CO 0.77 -0.96 0.02 -1.54 1.20 0.00 0.00 173.24 172.74 2yqm n SER 86 N -1.28 3.93 -4.55 5.45 3.41 -1.26 -4.93 113.62 114.38 2yqm n SER 86 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2yqm n SER 86 Cb 0.64 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 65.22 2yqm n SER 86 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2yqm s THR 87 N -2.13 3.23 -1.21 6.66 2.01 -1.26 -4.86 115.64 118.08 2yqm s THR 87 Ca -0.02 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 2yqm s THR 87 Cb 0.01 -3.56 0.22 0.00 0.01 0.00 0.00 72.50 69.18 2yqm s THR 87 CO 0.18 -0.54 1.73 0.00 -0.69 0.00 0.00 174.62 175.31 2yqm n ALA 88 N 15.04 5.31 -0.08 7.40 0.00 -1.26 -5.18 120.51 141.73 2yqm n ALA 88 Ca 0.35 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 49.29 2yqm n ALA 88 Cb 0.49 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2yqm n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95