#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 -0.02 0.29 1.61 1.04 -1.26 -5.19 113.70 110.17 2yqm s SER 2 Ca 0.00 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.40 2yqm s SER 2 Cb 0.00 0.82 -0.03 0.00 0.10 0.00 0.00 66.02 66.91 2yqm s SER 2 CO 0.00 -1.62 0.25 -0.55 0.98 0.00 0.00 173.24 172.30 2yqm s SER 3 N -3.07 1.16 0.07 7.02 0.15 -1.26 -5.18 113.70 112.59 2yqm s SER 3 Ca 0.15 -1.62 -0.20 0.00 0.70 0.00 0.00 55.95 54.98 2yqm s SER 3 Cb -0.05 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 2yqm s SER 3 CO 0.11 -1.01 0.92 0.61 1.20 0.00 0.00 173.24 175.06 2yqm n GLY 4 N -0.51 0.53 3.62 9.45 0.00 -1.26 -5.19 105.19 111.84 2yqm n GLY 4 Ca 0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.10 -0.10 -0.23 1.61 1.04 -1.26 -5.17 113.70 106.50 2yqm s SER 5 Ca 0.21 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 2yqm s SER 5 Cb -0.01 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.28 2yqm s SER 5 CO 0.02 -0.12 0.53 -0.55 0.98 0.00 0.00 173.24 174.10 2yqm s SER 6 N -1.41 -0.68 0.00 7.02 0.15 -1.26 -5.12 113.70 112.40 2yqm s SER 6 Ca 0.08 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2yqm s SER 6 Cb -0.01 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 2yqm s SER 6 CO -0.05 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2yqm n GLY 7 N 4.67 -0.88 3.78 9.45 0.00 -1.26 -5.15 105.19 115.79 2yqm n GLY 7 Ca -0.18 0.85 -0.37 0.00 0.00 0.00 0.00 46.02 46.32 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 5.22 -0.30 -0.61 1.09 -1.26 -5.06 121.20 120.28 2yqm s ILE 8 Ca 0.00 0.67 -0.07 0.00 -1.10 0.00 0.00 60.65 60.15 2yqm s ILE 8 Cb 0.00 -3.66 0.17 0.00 -1.06 0.00 0.00 42.46 37.91 2yqm s ILE 8 CO 0.00 0.47 0.75 -0.75 -0.10 0.00 0.00 174.94 175.31 2yqm s LYS 9 N -0.19 0.46 -0.40 2.79 2.20 -1.26 -5.06 119.74 118.28 2yqm s LYS 9 Ca 0.20 0.95 0.10 0.00 -0.36 0.00 0.00 55.97 56.86 2yqm s LYS 9 Cb -0.14 0.55 0.43 0.00 -1.51 0.00 0.00 37.83 37.15 2yqm s LYS 9 CO 0.08 -0.37 1.01 -0.85 -0.36 0.00 0.00 175.35 174.86 2yqm n GLU 10 N 5.38 2.39 -4.27 4.03 0.28 -1.26 -5.05 120.64 122.14 2yqm n GLU 10 Ca -0.06 -3.99 -0.21 0.00 -0.16 0.00 0.00 57.16 52.75 2yqm n GLU 10 Cb 0.51 -1.83 -0.16 0.00 1.43 0.00 0.00 31.44 31.39 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 -4.35 0.66 0.28 3.84 0.11 -1.26 -5.14 120.40 114.54 2yqm s VAL 11 Ca 0.40 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 2yqm s VAL 11 Cb 0.41 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2yqm s VAL 11 CO -0.09 0.24 0.80 0.54 -3.33 0.00 0.00 175.10 173.27 2yqm s ASN 12 N 0.73 -0.16 -0.29 3.54 4.22 -1.26 -5.16 114.94 116.57 2yqm s ASN 12 Ca -0.11 -0.71 -0.00 0.00 -2.14 0.00 0.00 52.86 49.90 2yqm s ASN 12 Cb -0.14 0.70 0.18 0.00 1.28 0.00 0.00 41.25 43.27 2yqm s ASN 12 CO 0.01 -1.33 0.54 -1.58 -2.04 0.00 0.00 177.10 172.70 2yqm s GLN 13 N -3.30 0.51 1.10 3.55 0.74 -1.26 -5.16 119.66 115.84 2yqm s GLN 13 Ca 0.13 0.79 -0.12 0.00 0.05 0.00 0.00 55.36 56.20 2yqm s GLN 13 Cb -0.05 0.24 0.25 0.00 1.10 0.00 0.00 33.01 34.55 2yqm s GLN 13 CO 0.07 -0.71 1.06 0.00 -0.55 0.00 0.00 175.29 175.15 2yqm s ALA 14 N 2.77 0.06 0.04 1.58 0.00 -1.26 -5.05 121.76 119.91 2yqm s ALA 14 Ca 0.17 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.22 2yqm s ALA 14 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2yqm s ALA 14 CO -0.21 -3.52 -0.24 -0.48 0.00 0.00 0.00 175.76 171.30 2yqm s LEU 15 N -7.02 2.16 -0.29 0.00 2.34 -1.26 -5.12 118.68 109.49 2yqm s LEU 15 Ca 0.68 -0.55 -0.14 0.00 0.06 0.00 0.00 54.13 54.17 2yqm s LEU 15 Cb -0.24 -1.16 -0.03 0.00 -0.56 0.00 0.00 46.19 44.20 2yqm s LEU 15 CO 0.63 0.22 0.34 -0.75 -1.06 0.00 0.00 176.35 175.73 2yqm s LYS 16 N -1.15 3.88 0.38 1.48 2.47 -1.26 -5.06 119.74 120.48 2yqm s LYS 16 Ca 0.10 -0.14 -0.26 0.00 -1.56 0.00 0.00 55.97 54.11 2yqm s LYS 16 Cb -0.09 -3.70 -0.09 0.00 -1.46 0.00 0.00 37.83 32.49 2yqm s LYS 16 CO 0.02 -0.33 1.24 0.20 0.16 0.00 0.00 175.35 176.63 2yqm s GLY 17 N 1.69 2.93 0.10 5.54 0.00 -1.26 -5.04 107.32 111.28 2yqm s GLY 17 Ca 0.13 1.11 0.08 0.00 0.00 0.00 0.00 44.72 46.04 2yqm s GLY 17 CO 0.11 1.68 -0.20 0.30 0.00 0.00 0.00 173.10 174.99 2yqm s HIS 18 N -1.29 1.72 -0.11 1.90 3.76 -1.26 -5.14 115.29 114.87 2yqm s HIS 18 Ca 0.55 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2yqm s HIS 18 Cb -0.35 -0.94 0.06 0.00 1.11 0.00 0.00 32.58 32.46 2yqm s HIS 18 CO 0.45 0.20 0.17 0.00 -0.85 0.00 0.00 174.74 174.71 2yqm s ALA 19 N -1.27 -0.17 -0.93 -1.40 0.00 -1.26 -5.08 121.76 111.65 2yqm s ALA 19 Ca 0.06 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 2yqm s ALA 19 Cb -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2yqm s ALA 19 CO 0.04 -0.71 1.90 -1.58 0.00 0.00 0.00 175.76 175.41 2yqm s TRP 20 N 2.30 1.88 0.51 0.00 0.52 -1.26 -4.74 118.94 118.15 2yqm s TRP 20 Ca 0.04 0.49 0.00 0.00 0.02 0.00 0.00 56.10 56.65 2yqm s TRP 20 Cb -0.13 -4.10 0.00 0.00 -1.15 0.00 0.00 33.47 28.09 2yqm s TRP 20 CO -0.07 -1.74 0.00 1.28 0.02 0.00 0.00 176.95 176.44 2yqm n LEU 21 N 13.56 -1.00 -4.13 2.99 4.77 -1.26 -4.92 117.00 127.01 2yqm n LEU 21 Ca 0.40 2.09 -0.32 0.00 -0.03 0.00 0.00 56.01 58.15 2yqm n LEU 21 Cb 0.47 -2.47 -0.16 0.00 -2.33 0.00 0.00 43.42 38.92 2yqm n LEU 21 CO 0.61 -1.47 -0.53 -0.54 -1.33 0.00 0.00 177.39 174.13 2yqm s LYS 22 N -4.37 2.89 -1.05 3.23 1.02 -1.26 -5.06 119.74 115.13 2yqm s LYS 22 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.13 2yqm s LYS 22 Cb 0.00 -2.43 0.27 0.00 -0.52 0.00 0.00 37.83 35.16 2yqm s LYS 22 CO 0.00 -0.12 1.11 -0.25 -0.92 0.00 0.00 175.35 175.17 2yqm n ASP 23 N 4.38 5.39 -2.34 2.83 9.92 -1.26 -4.86 116.55 130.60 2yqm n ASP 23 Ca -0.20 -3.14 -0.32 0.00 -0.53 0.00 0.00 54.79 50.60 2yqm n ASP 23 Cb 0.51 -1.27 0.06 0.00 -0.64 0.00 0.00 41.12 39.77 2yqm n ASP 23 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2yqm n ASP 24 N 2.28 7.40 0.00 -2.24 5.68 -1.26 -4.28 116.55 124.13 2yqm n ASP 24 Ca 0.24 -3.63 0.00 0.00 -0.50 0.00 0.00 54.79 50.90 2yqm n ASP 24 Cb 0.37 -1.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2yqm n GLU 25 N -0.54 0.00 -3.65 0.11 1.02 -1.26 -5.14 120.64 111.18 2yqm n GLU 25 Ca 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.68 2yqm n GLU 25 Cb 0.58 -0.09 -0.06 0.00 -0.02 0.00 0.00 31.44 31.85 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 -1.74 -2.45 -0.09 0.62 0.00 -1.26 -5.00 121.76 111.84 2yqm s ALA 26 Ca 0.00 1.95 0.04 0.00 0.00 0.00 0.00 51.96 53.95 2yqm s ALA 26 Cb 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 2yqm s ALA 26 CO 0.00 -0.27 -0.03 0.25 0.00 0.00 0.00 175.76 175.71 2yqm n THR 27 N 2.83 0.54 -4.28 0.00 -2.24 -1.26 -4.96 114.28 104.90 2yqm n THR 27 Ca -0.16 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.17 2yqm n THR 27 Cb 0.57 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.19 1.51 0.61 4.78 3.76 -1.26 -3.60 115.29 118.90 2yqm s HIS 28 Ca -0.08 -0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 54.08 2yqm s HIS 28 Cb 0.03 -0.76 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 2yqm s HIS 28 CO 0.27 0.21 0.78 0.00 -0.85 0.00 0.00 174.74 175.14 2yqm n ARG 30 N -0.77 2.29 0.00 0.00 0.00 -1.21 -3.14 116.66 113.83 2yqm n ARG 30 Ca 0.13 -2.54 0.00 0.00 -0.00 0.00 0.00 57.85 55.44 2yqm n ARG 30 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.94 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 -0.40 0.00 0.01 -0.14 7.27 -1.26 -4.95 117.38 117.91 2yqm n GLN 31 Ca 0.49 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.55 2yqm n GLN 31 Cb 0.67 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.22 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 -2.84 -3.84 -4.23 0.00 0.00 -1.19 -4.98 120.64 103.57 2yqm n GLU 33 Ca -0.12 0.79 -0.30 0.00 0.00 0.00 0.00 57.16 57.52 2yqm n GLU 33 Cb 0.87 -5.35 -0.10 0.00 0.00 0.00 0.00 31.44 26.86 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2yqm s LYS 34 N -5.44 2.24 0.26 5.31 -0.14 -1.26 -4.86 119.74 115.85 2yqm s LYS 34 Ca 0.23 -0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 2yqm s LYS 34 Cb -0.10 -2.36 -0.10 0.00 -1.68 0.00 0.00 37.83 33.59 2yqm s LYS 34 CO 0.28 0.52 1.33 -2.00 -0.76 0.00 0.00 175.35 174.72 2yqm s GLU 35 N -2.16 4.36 0.35 1.68 2.12 -1.26 -2.56 118.70 121.23 2yqm s GLU 35 Ca 0.22 2.16 -0.26 0.00 0.36 0.00 0.00 54.97 57.44 2yqm s GLU 35 Cb -0.11 -3.13 -0.09 0.00 0.26 0.00 0.00 34.13 31.06 2yqm s GLU 35 CO 0.14 -0.25 1.10 -0.06 -0.54 0.00 0.00 175.26 175.64 2yqm s PHE 36 N -0.38 3.34 0.17 5.30 0.08 -1.24 -4.97 117.98 120.28 2yqm s PHE 36 Ca 0.54 1.64 0.03 0.00 0.12 0.00 0.00 56.93 59.27 2yqm s PHE 36 Cb -0.39 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 38.80 2yqm s PHE 36 CO 0.44 -0.76 0.10 0.43 -0.10 0.00 0.00 175.22 175.34 2yqm n SER 37 N 0.44 0.30 -0.03 1.36 7.64 -1.20 -5.00 113.62 117.13 2yqm n SER 37 Ca 0.02 -2.00 -0.07 0.00 1.01 0.00 0.00 58.87 57.84 2yqm n SER 37 Cb 0.47 0.63 0.10 0.00 -1.01 0.00 0.00 64.21 64.41 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 1.41 1.29 0.00 0.44 5.03 -1.99 -3.07 117.51 120.61 2yqm h ILE 38 Ca -0.12 -1.49 -0.20 0.00 -0.12 0.00 0.00 64.86 62.93 2yqm h ILE 38 Cb 0.55 1.45 -0.03 0.00 -3.03 0.00 0.00 36.82 35.76 2yqm h ILE 38 CO 0.19 0.48 -1.15 -1.28 -0.68 0.00 0.00 178.15 175.71 2yqm h SER 39 N 0.52 0.00 -2.29 1.72 0.87 -2.01 -3.36 113.55 109.00 2yqm h SER 39 Ca 0.05 0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 59.88 2yqm h SER 39 Cb 0.85 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.49 2yqm h SER 39 CO 0.07 0.81 0.47 -1.14 -0.53 0.00 0.00 176.83 176.51 2yqm n ARG 40 N -3.16 4.67 -0.29 2.24 0.63 -1.17 -4.98 116.66 114.60 2yqm n ARG 40 Ca -0.06 -4.73 -0.30 0.00 -0.92 0.00 0.00 57.85 51.85 2yqm n ARG 40 Cb 0.90 -2.40 0.29 0.00 0.45 0.00 0.00 32.46 31.70 2yqm n ARG 40 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2yqm n ARG 41 N -0.04 -4.30 -4.30 -0.14 1.74 -1.18 -3.25 116.66 105.19 2yqm n ARG 41 Ca 0.41 -1.27 -0.24 0.00 -0.77 0.00 0.00 57.85 55.99 2yqm n ARG 41 Cb 0.31 -1.97 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 2yqm n ARG 41 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2yqm s LYS 42 N -4.86 2.18 -0.03 5.56 -2.85 -1.26 -2.93 119.74 115.55 2yqm s LYS 42 Ca 0.67 -1.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.08 2yqm s LYS 42 Cb -0.15 -2.06 0.03 0.00 -2.06 0.00 0.00 37.83 33.59 2yqm s LYS 42 CO 0.59 0.26 0.02 -1.01 0.10 0.00 0.00 175.35 175.31 2yqm s HIS 43 N -2.41 0.15 -0.42 1.78 3.76 -0.13 -4.92 115.29 113.10 2yqm s HIS 43 Ca 0.33 0.08 -0.25 0.00 -0.15 0.00 0.00 55.06 55.07 2yqm s HIS 43 Cb -0.04 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2yqm s HIS 43 CO 0.20 -0.12 0.91 -1.58 -0.85 0.00 0.00 174.74 173.30 2yqm s HIS 44 N 1.15 2.99 0.46 1.40 2.46 -1.26 -3.06 115.29 119.42 2yqm s HIS 44 Ca -0.08 0.53 -0.25 0.00 0.47 0.00 0.00 55.06 55.74 2yqm s HIS 44 Cb -0.13 -3.81 -0.08 0.00 -0.13 0.00 0.00 32.58 28.42 2yqm s HIS 44 CO -0.03 -0.97 1.32 0.00 -2.47 0.00 0.00 174.74 172.59 2yqm n ARG 46 N -0.22 4.75 0.00 0.00 3.00 -1.26 -3.66 116.66 119.27 2yqm n ARG 46 Ca 0.07 -3.13 0.00 0.00 -0.01 0.00 0.00 57.85 54.78 2yqm n ARG 46 Cb 0.41 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 30.65 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 0.10 0.55 5.15 -1.26 -4.88 115.26 115.64 2yqm n ASN 47 Ca 0.28 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.21 2yqm n ASN 47 Cb 1.16 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.46 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 0.66 0.71 3.69 0.00 0.00 -1.24 -5.08 105.19 103.93 2yqm n GLY 49 Ca -0.02 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.00 2.17 -0.16 1.61 3.76 -1.26 -4.91 115.29 113.50 2yqm s HIS 50 Ca 0.00 -0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 54.01 2yqm s HIS 50 Cb -0.00 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 2yqm s HIS 50 CO 0.00 0.33 0.09 0.42 -0.85 0.00 0.00 174.74 174.73 2yqm s ILE 51 N -2.81 5.07 0.28 0.60 -1.09 -1.26 -2.56 121.20 119.43 2yqm s ILE 51 Ca 0.20 0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 2yqm s ILE 51 Cb 0.06 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 2yqm s ILE 51 CO 0.10 0.52 0.38 -0.36 -1.23 0.00 0.00 174.94 174.35 2yqm s PHE 52 N -0.20 0.96 0.57 3.97 0.08 -1.17 -3.29 117.98 118.90 2yqm s PHE 52 Ca 0.09 -1.19 0.08 0.00 0.12 0.00 0.00 56.93 56.03 2yqm s PHE 52 Cb -0.12 -0.18 0.08 0.00 -0.57 0.00 0.00 43.02 42.24 2yqm s PHE 52 CO 0.01 -0.96 0.78 0.00 -0.10 0.00 0.00 175.22 174.95 2yqm h ASN 54 N 0.17 0.70 0.02 0.00 4.21 -1.82 0.26 115.58 119.11 2yqm h ASN 54 Ca -0.32 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.12 2yqm h ASN 54 Cb 1.28 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2yqm h ASN 54 CO 0.41 0.56 -0.01 0.74 -1.29 0.00 0.00 177.43 177.85 2yqm h THR 55 N 0.77 0.52 0.07 2.81 2.02 -1.95 -2.25 112.91 114.89 2yqm h THR 55 Ca 0.21 -0.02 -0.34 0.00 0.77 0.00 0.00 66.41 67.02 2yqm h THR 55 Cb -0.00 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2yqm h THR 55 CO -0.04 0.01 -1.97 0.00 0.37 0.00 0.00 175.52 173.89 2yqm n SER 57 N -3.28 6.59 -2.34 0.00 3.41 0.83 -2.14 113.62 116.69 2yqm n SER 57 Ca -0.28 -3.25 -0.32 0.00 -0.26 0.00 0.00 58.87 54.76 2yqm n SER 57 Cb 1.05 -1.18 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2yqm n SER 57 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yqm n SER 58 N 0.60 6.54 -3.74 4.04 2.88 -1.15 -4.75 113.62 118.04 2yqm n SER 58 Ca 0.46 -3.78 -0.11 0.00 -1.33 0.00 0.00 58.87 54.12 2yqm n SER 58 Cb 0.54 -0.75 -0.07 0.00 -0.75 0.00 0.00 64.21 63.19 2yqm n SER 58 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2yqm s ASN 59 N -2.43 -0.10 -0.00 -3.46 2.20 -1.25 -5.06 114.94 104.83 2yqm s ASN 59 Ca 0.57 -0.32 -0.03 0.00 -0.94 0.00 0.00 52.86 52.14 2yqm s ASN 59 Cb 0.46 0.38 -0.00 0.00 -2.00 0.00 0.00 41.25 40.09 2yqm s ASN 59 CO -0.08 -0.70 0.05 -1.61 -2.94 0.00 0.00 177.10 171.83 2yqm s GLU 60 N -3.15 0.24 -0.07 3.55 2.02 -1.26 -0.60 118.70 119.43 2yqm s GLU 60 Ca -0.01 -0.24 -0.17 0.00 0.02 0.00 0.00 54.97 54.58 2yqm s GLU 60 Cb 0.01 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.37 2yqm s GLU 60 CO -0.07 -0.05 0.39 -1.17 0.02 0.00 0.00 175.26 174.38 2yqm s LEU 61 N -0.75 0.53 -0.62 1.80 2.96 -1.11 -4.95 118.68 116.53 2yqm s LEU 61 Ca -0.08 0.42 -0.26 0.00 -0.22 0.00 0.00 54.13 53.99 2yqm s LEU 61 Cb -0.05 1.47 0.04 0.00 0.50 0.00 0.00 46.19 48.15 2yqm s LEU 61 CO 0.00 -0.36 1.10 0.00 -1.32 0.00 0.00 176.35 175.77 2yqm s ALA 62 N -0.77 3.01 0.41 5.97 0.00 -1.26 -3.04 121.76 126.09 2yqm s ALA 62 Ca -0.09 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 2yqm s ALA 62 Cb -0.04 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 2yqm s ALA 62 CO 0.04 -2.73 0.69 -0.51 0.00 0.00 0.00 175.76 173.25 2yqm s LEU 63 N 4.67 3.81 0.35 0.00 1.43 -1.26 -4.95 118.68 122.72 2yqm s LEU 63 Ca 0.34 0.77 0.27 0.00 -1.03 0.00 0.00 54.13 54.48 2yqm s LEU 63 Cb -0.11 -3.68 1.12 0.00 0.03 0.00 0.00 46.19 43.55 2yqm s LEU 63 CO 0.19 -0.44 1.80 1.55 0.23 0.00 0.00 176.35 179.68 2yqm h PRO 64 N 0.61 0.00 0.02 1.29 0.13 -1.98 -3.17 132.00 128.90 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 1.03 -0.23 0.00 0.00 178.00 179.41 2yqm h SER 65 N 0.00 -0.02 -2.70 1.44 0.87 -1.97 -3.46 113.55 107.71 2yqm h SER 65 Ca 0.00 -0.74 -0.55 0.00 -1.23 0.00 0.00 61.79 59.27 2yqm h SER 65 Cb 0.40 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2yqm h SER 65 CO 0.00 0.78 -0.42 -0.31 -0.53 0.00 0.00 176.83 176.35 2yqm s TYR 66 N -2.72 3.49 0.12 2.24 2.02 -1.20 -5.03 117.35 116.28 2yqm s TYR 66 Ca -0.16 0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.63 2yqm s TYR 66 Cb -0.01 -1.74 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 2yqm s TYR 66 CO 0.61 0.48 1.45 -1.00 -1.57 0.00 0.00 175.55 175.52 2yqm h PRO 67 N 2.22 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.91 2yqm h PRO 67 Ca -0.48 -0.45 -0.58 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 0.69 1.09 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.29 2yqm s LYS 68 N -4.38 2.21 -0.03 0.86 -2.85 -1.26 -4.94 119.74 109.35 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 33.65 2yqm s LYS 68 CO 0.86 0.39 1.47 -1.25 0.10 0.00 0.00 175.35 176.93 2yqm s PRO 69 N -3.34 4.24 0.51 1.78 0.04 -1.26 -4.62 135.00 132.35 2yqm s PRO 69 Ca 0.29 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.42 2yqm s PRO 69 Cb -0.07 -3.71 0.07 0.00 0.04 0.00 0.00 34.50 30.83 2yqm s PRO 69 CO 0.18 -0.68 0.58 1.33 0.04 0.00 0.00 177.00 178.45 2yqm n VAL 70 N 4.98 0.00 -2.66 -0.36 0.24 -1.17 -4.72 118.33 114.64 2yqm n VAL 70 Ca 0.15 -1.83 -0.42 0.00 -2.04 0.00 0.00 64.34 60.19 2yqm n VAL 70 Cb 0.43 -0.36 -0.03 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 -4.23 4.41 0.49 7.34 3.52 -1.26 -2.75 118.95 126.47 2yqm s ARG 71 Ca 0.44 1.42 0.01 0.00 -0.13 0.00 0.00 55.73 57.47 2yqm s ARG 71 Cb -0.03 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 2yqm s ARG 71 CO 0.28 -0.34 0.05 0.14 -0.81 0.00 0.00 175.30 174.62 2yqm s VAL 72 N 2.07 0.85 0.19 7.11 -7.23 0.23 -4.02 120.40 119.59 2yqm s VAL 72 Ca 0.49 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.70 2yqm s VAL 72 Cb -0.19 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2yqm s VAL 72 CO 0.18 0.00 0.31 0.00 -0.31 0.00 0.00 175.10 175.27 2yqm h ASP 74 N 1.75 0.00 0.58 0.00 3.32 -1.81 0.24 116.42 120.49 2yqm h ASP 74 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 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 0.65 0.00 -0.30 -1.28 -1.72 0.00 0.00 179.24 176.59 2yqm h SER 75 N 0.00 0.00 0.02 6.45 0.87 -1.94 -2.73 113.55 116.22 2yqm h SER 75 Ca 0.12 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.30 2yqm h SER 75 Cb 0.62 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 2yqm h SER 75 CO -0.00 0.30 -2.24 0.00 -0.53 0.00 0.00 176.83 174.35 2yqm h HIS 77 N -0.42 -0.77 -0.78 0.00 6.17 -0.87 0.20 115.15 118.67 2yqm h HIS 77 Ca -0.56 0.02 0.06 0.00 0.71 0.00 0.00 60.37 60.60 2yqm h HIS 77 Cb 1.76 0.32 -0.05 0.00 2.52 0.00 0.00 27.41 31.96 2yqm h HIS 77 CO 0.01 -0.32 0.51 1.15 0.71 0.00 0.00 177.93 180.00 2yqm h THR 78 N -0.42 1.04 0.19 6.26 2.02 -1.74 0.01 112.91 120.26 2yqm h THR 78 Ca -0.01 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2yqm h THR 78 Cb 0.41 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2yqm h THR 78 CO -0.12 0.15 -0.12 0.25 0.37 0.00 0.00 175.52 176.06 2yqm h LEU 79 N 0.85 -0.29 -1.06 2.58 5.85 -1.50 0.10 115.31 121.84 2yqm h LEU 79 Ca 0.34 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 2yqm h LEU 79 Cb 0.24 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2yqm h LEU 79 CO -0.12 -0.19 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.49 2yqm h LEU 80 N -0.30 0.38 -1.08 2.25 3.38 -0.17 -2.20 115.31 117.57 2yqm h LEU 80 Ca -0.02 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2yqm h LEU 80 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2yqm h LEU 80 CO 0.02 0.63 -0.44 -0.07 0.09 0.00 0.00 178.44 178.67 2yqm h LEU 81 N 0.35 0.00 -3.61 1.67 3.38 -0.64 -2.85 115.31 113.60 2yqm h LEU 81 Ca 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 2yqm h LEU 81 Cb 0.61 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.18 2yqm h LEU 81 CO 0.04 0.44 0.22 0.00 0.09 0.00 0.00 178.44 179.23 2yqm n GLN 82 N -3.87 2.21 0.00 1.13 -0.00 0.33 -4.67 117.38 112.51 2yqm n GLN 82 Ca -0.01 -3.10 0.00 0.00 -0.00 0.00 0.00 57.00 53.89 2yqm n GLN 82 Cb 0.48 -1.98 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 2yqm n GLN 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2yqm n ARG 83 N -1.02 0.00 -0.41 2.61 1.74 -0.87 -4.99 116.66 113.73 2yqm n ARG 83 Ca 0.43 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.56 2yqm n ARG 83 Cb 1.29 -0.03 -0.01 0.00 -1.02 0.00 0.00 32.46 32.69 2yqm n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yqm h SER 85 N -0.38 0.83 -5.85 0.00 4.64 -2.00 -3.48 113.55 107.31 2yqm h SER 85 Ca 0.01 -0.82 -0.39 0.00 -0.47 0.00 0.00 61.79 60.12 2yqm h SER 85 Cb 0.38 -0.26 0.13 0.00 -0.31 0.00 0.00 62.40 62.33 2yqm h SER 85 CO 0.00 1.56 -0.71 -1.20 -0.87 0.00 0.00 176.83 175.61 2yqm n SER 86 N -3.86 -5.08 -3.77 4.97 7.64 -1.26 -4.97 113.62 107.28 2yqm n SER 86 Ca -0.13 -0.59 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 2yqm n SER 86 Cb 0.93 -4.94 -0.13 0.00 -1.01 0.00 0.00 64.21 59.07 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 -3.34 1.85 -0.46 0.44 2.01 -1.26 -4.95 115.64 109.92 2yqm s THR 87 Ca 0.44 -3.04 0.05 0.00 0.31 0.00 0.00 61.69 59.44 2yqm s THR 87 Cb -0.20 -2.27 0.24 0.00 0.01 0.00 0.00 72.50 70.29 2yqm s THR 87 CO 0.74 -0.92 0.94 0.00 -0.69 0.00 0.00 174.62 174.69 2yqm n ALA 88 N 3.11 -1.83 -0.46 7.40 0.00 -1.26 -5.30 120.51 122.17 2yqm n ALA 88 Ca 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2yqm n ALA 88 Cb 0.35 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2yqm n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95