#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 0.09 -0.39 1.61 1.04 -1.26 -5.11 113.70 109.68 2yqm s SER 2 Ca 0.00 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.47 2yqm s SER 2 Cb 0.00 -0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.17 2yqm s SER 2 CO 0.00 -0.10 0.18 -0.94 0.98 0.00 0.00 173.24 173.36 2yqm s SER 3 N 0.87 3.89 0.65 7.02 1.04 -1.26 -5.12 113.70 120.80 2yqm s SER 3 Ca -0.07 -2.31 -0.01 0.00 0.48 0.00 0.00 55.95 54.04 2yqm s SER 3 Cb -0.11 -1.06 0.08 0.00 0.10 0.00 0.00 66.02 65.03 2yqm s SER 3 CO -0.02 -0.32 0.92 -0.83 0.98 0.00 0.00 173.24 173.96 2yqm s GLY 4 N 0.75 1.78 -0.24 7.32 0.00 -1.26 -5.11 107.32 110.56 2yqm s GLY 4 Ca 0.15 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 2yqm s GLY 4 CO -0.08 -0.97 0.49 -0.56 0.00 0.00 0.00 173.10 171.98 2yqm s SER 5 N -4.57 -0.54 -0.09 1.64 0.01 -1.26 -5.16 113.70 103.73 2yqm s SER 5 Ca 0.62 1.05 -0.04 0.00 1.31 0.00 0.00 55.95 58.89 2yqm s SER 5 Cb -0.08 1.66 -0.04 0.00 0.21 0.00 0.00 66.02 67.76 2yqm s SER 5 CO 0.42 -0.24 0.07 -0.55 0.41 0.00 0.00 173.24 173.35 2yqm s SER 6 N 2.71 5.77 0.00 2.44 0.15 -1.26 -5.01 113.70 118.50 2yqm s SER 6 Ca 0.01 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2yqm s SER 6 Cb -0.13 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2yqm s SER 6 CO -0.16 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2yqm n GLY 7 N 1.99 0.91 3.54 9.45 0.00 -1.26 -5.16 105.19 114.65 2yqm n GLY 7 Ca -0.19 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.38 -0.47 -0.61 1.01 -1.26 -5.09 121.20 118.16 2yqm s ILE 8 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 2yqm s ILE 8 Cb 0.00 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 40.12 2yqm s ILE 8 CO 0.00 0.54 0.67 -0.54 0.00 0.00 0.00 174.94 175.61 2yqm s LYS 9 N -0.94 3.23 0.26 2.79 1.02 -1.26 -5.04 119.74 119.79 2yqm s LYS 9 Ca 0.13 -0.52 0.11 0.00 0.02 0.00 0.00 55.97 55.71 2yqm s LYS 9 Cb -0.11 -4.01 -0.05 0.00 -0.52 0.00 0.00 37.83 33.15 2yqm s LYS 9 CO 0.03 -1.13 -0.15 -1.83 -0.92 0.00 0.00 175.35 171.35 2yqm s GLU 10 N 2.88 1.84 -0.02 1.68 -1.05 -1.26 -5.15 118.70 117.63 2yqm s GLU 10 Ca 0.21 -1.61 0.02 0.00 -0.15 0.00 0.00 54.97 53.45 2yqm s GLU 10 Cb -0.15 -1.91 -0.00 0.00 -0.44 0.00 0.00 34.13 31.62 2yqm s GLU 10 CO 0.17 0.36 -0.08 0.54 0.95 0.00 0.00 175.26 177.19 2yqm s VAL 11 N -2.28 0.70 0.43 1.83 0.11 -1.26 -5.13 120.40 114.80 2yqm s VAL 11 Ca 0.29 -0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 2yqm s VAL 11 Cb -0.06 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 2yqm s VAL 11 CO 0.15 0.21 1.26 0.54 -3.33 0.00 0.00 175.10 173.93 2yqm s ASN 12 N -0.00 6.21 -0.04 3.54 4.22 -1.26 -5.04 114.94 122.57 2yqm s ASN 12 Ca 0.00 2.54 -0.02 0.00 -2.14 0.00 0.00 52.86 53.25 2yqm s ASN 12 Cb -0.06 -2.63 0.03 0.00 1.28 0.00 0.00 41.25 39.88 2yqm s ASN 12 CO -0.00 -0.91 0.08 -1.58 -2.04 0.00 0.00 177.10 172.66 2yqm s GLN 13 N -2.41 -0.00 -0.41 3.55 0.74 -1.26 -5.05 119.66 114.82 2yqm s GLN 13 Ca 0.60 0.32 0.04 0.00 0.05 0.00 0.00 55.36 56.37 2yqm s GLN 13 Cb -0.35 -0.28 0.29 0.00 1.10 0.00 0.00 33.01 33.77 2yqm s GLN 13 CO 0.44 -0.22 1.15 0.00 -0.55 0.00 0.00 175.29 176.12 2yqm n ALA 14 N 4.56 -2.11 -1.94 1.58 0.00 -1.26 -5.14 120.51 116.19 2yqm n ALA 14 Ca -0.20 -0.94 -0.41 0.00 0.00 0.00 0.00 53.44 51.89 2yqm n ALA 14 Cb 0.50 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 2yqm n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yqm s LEU 15 N -1.13 4.41 -0.08 0.00 1.02 -1.26 -5.02 118.68 116.63 2yqm s LEU 15 Ca 0.25 2.49 -0.03 0.00 0.02 0.00 0.00 54.13 56.87 2yqm s LEU 15 Cb 0.26 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 2yqm s LEU 15 CO -0.15 -0.57 0.06 -0.75 0.02 0.00 0.00 176.35 174.97 2yqm s LYS 16 N -0.35 3.14 -0.33 1.70 2.20 -1.26 -5.09 119.74 119.75 2yqm s LYS 16 Ca 0.56 -0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.74 2yqm s LYS 16 Cb -0.38 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 2yqm s LYS 16 CO 0.41 0.71 0.15 0.20 -0.36 0.00 0.00 175.35 176.46 2yqm s GLY 17 N -1.13 1.86 -0.30 5.54 0.00 -1.26 -5.02 107.32 107.01 2yqm s GLY 17 Ca 0.16 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.35 2yqm s GLY 17 CO 0.06 0.74 0.43 -1.58 0.00 0.00 0.00 173.10 172.75 2yqm s HIS 18 N 1.54 -1.08 -0.27 1.90 5.04 -1.26 -5.12 115.29 116.03 2yqm s HIS 18 Ca 0.02 0.32 -0.08 0.00 -1.54 0.00 0.00 55.06 53.78 2yqm s HIS 18 Cb -0.18 -0.11 0.12 0.00 0.04 0.00 0.00 32.58 32.45 2yqm s HIS 18 CO 0.05 -1.00 0.59 0.00 -2.34 0.00 0.00 174.74 172.03 2yqm s ALA 19 N 2.48 -1.83 -0.22 1.58 0.00 -1.26 -5.12 121.76 117.40 2yqm s ALA 19 Ca 0.10 2.08 -0.34 0.00 0.00 0.00 0.00 51.96 53.80 2yqm s ALA 19 Cb -0.12 -1.69 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 2yqm s ALA 19 CO -0.28 -0.92 2.02 0.91 0.00 0.00 0.00 175.76 177.49 2yqm n TRP 20 N 5.43 2.00 -3.81 0.00 7.02 -1.26 -4.94 117.44 121.88 2yqm n TRP 20 Ca -0.10 0.13 -0.12 0.00 -1.02 0.00 0.00 57.50 56.39 2yqm n TRP 20 Cb 0.49 -2.61 -0.11 0.00 -2.42 0.00 0.00 31.31 26.67 2yqm n TRP 20 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2yqm s LEU 21 N 5.73 1.23 -0.29 -0.99 1.43 -1.26 -5.15 118.68 119.38 2yqm s LEU 21 Ca 1.00 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2yqm s LEU 21 Cb -0.74 0.79 0.10 0.00 0.03 0.00 0.00 46.19 46.37 2yqm s LEU 21 CO 0.50 -0.20 0.73 -1.59 0.23 0.00 0.00 176.35 176.02 2yqm s LYS 22 N -0.45 0.62 -0.45 1.70 -2.85 -1.26 -5.12 119.74 111.94 2yqm s LYS 22 Ca -0.06 1.19 0.02 0.00 -1.00 0.00 0.00 55.97 56.13 2yqm s LYS 22 Cb -0.04 0.31 0.14 0.00 -2.06 0.00 0.00 37.83 36.18 2yqm s LYS 22 CO 0.01 -0.15 0.27 -0.51 0.10 0.00 0.00 175.35 175.07 2yqm s ASP 23 N 1.91 3.41 -0.18 0.03 1.01 -1.26 -4.70 116.67 116.90 2yqm s ASP 23 Ca -0.09 -2.73 -0.03 0.00 0.71 0.00 0.00 52.55 50.41 2yqm s ASP 23 Cb -0.06 -0.94 -0.10 0.00 1.01 0.00 0.00 42.92 42.83 2yqm s ASP 23 CO -0.19 -0.24 -0.19 0.47 0.21 0.00 0.00 175.17 175.22 2yqm n ASP 24 N 3.39 2.07 -1.82 0.27 9.92 -1.26 -4.62 116.55 124.49 2yqm n ASP 24 Ca 0.12 0.05 -0.19 0.00 -0.53 0.00 0.00 54.79 54.24 2yqm n ASP 24 Cb 0.36 -0.39 0.14 0.00 -0.64 0.00 0.00 41.12 40.59 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2yqm n GLU 25 N -3.37 2.39 -3.29 -1.24 1.02 -1.26 -4.92 120.64 109.97 2yqm n GLU 25 Ca -0.33 -3.32 -0.16 0.00 -0.02 0.00 0.00 57.16 53.33 2yqm n GLU 25 Cb 0.80 -2.08 0.08 0.00 -0.02 0.00 0.00 31.44 30.21 2yqm n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqm n ALA 26 N -1.02 -2.17 -0.35 0.62 0.00 -1.26 -4.90 120.51 111.43 2yqm n ALA 26 Ca 0.48 0.03 0.07 0.00 0.00 0.00 0.00 53.44 54.02 2yqm n ALA 26 Cb 1.09 -3.89 0.23 0.00 0.00 0.00 0.00 19.45 16.89 2yqm n ALA 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2yqm h THR 27 N -1.47 0.90 -3.53 0.00 2.02 -1.90 -3.44 112.91 105.50 2yqm h THR 27 Ca -0.58 -0.32 -0.38 0.00 0.77 0.00 0.00 66.41 65.90 2yqm h THR 27 Cb 1.31 -0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 67.47 2yqm h THR 27 CO 0.46 0.17 -0.62 -1.00 0.37 0.00 0.00 175.52 174.90 2yqm s HIS 28 N -5.97 1.63 0.86 3.16 3.76 -1.26 -3.90 115.29 113.56 2yqm s HIS 28 Ca -0.12 -1.11 -0.10 0.00 -0.15 0.00 0.00 55.06 53.58 2yqm s HIS 28 Cb 0.22 -0.98 0.11 0.00 1.11 0.00 0.00 32.58 33.04 2yqm s HIS 28 CO 0.80 -0.23 1.12 0.00 -0.85 0.00 0.00 174.74 175.58 2yqm n ARG 30 N -3.96 2.81 0.10 0.00 3.00 -1.25 -3.96 116.66 113.40 2yqm n ARG 30 Ca 0.11 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.89 2yqm n ARG 30 Cb 0.52 -2.04 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 -0.67 0.00 0.16 -0.14 7.27 -1.26 -4.92 117.38 117.82 2yqm n GLN 31 Ca 0.39 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.50 2yqm n GLN 31 Cb 1.27 0.00 0.11 0.00 2.41 0.00 0.00 30.24 34.03 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 -3.27 -2.96 -4.47 0.00 1.02 -1.25 -5.02 120.64 104.69 2yqm n GLU 33 Ca 0.02 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.61 2yqm n GLU 33 Cb 0.67 -5.24 -0.13 0.00 -0.02 0.00 0.00 31.44 26.72 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 -4.45 1.39 0.01 3.49 -0.14 -1.26 -4.87 119.74 113.91 2yqm s LYS 34 Ca 0.28 -1.23 -0.30 0.00 -1.36 0.00 0.00 55.97 53.36 2yqm s LYS 34 Cb -0.04 -1.75 -0.06 0.00 -1.68 0.00 0.00 37.83 34.30 2yqm s LYS 34 CO 0.63 0.42 1.51 -2.00 -0.76 0.00 0.00 175.35 175.15 2yqm s GLU 35 N -1.82 4.24 0.31 1.68 2.12 -1.26 -3.00 118.70 120.97 2yqm s GLU 35 Ca 0.11 2.11 -0.29 0.00 0.36 0.00 0.00 54.97 57.26 2yqm s GLU 35 Cb -0.10 -3.64 -0.10 0.00 0.26 0.00 0.00 34.13 30.55 2yqm s GLU 35 CO 0.05 -0.67 1.31 -0.06 -0.54 0.00 0.00 175.26 175.35 2yqm s PHE 36 N 2.72 3.08 0.28 5.30 0.08 -1.25 -5.03 117.98 123.16 2yqm s PHE 36 Ca 0.68 1.37 0.03 0.00 0.12 0.00 0.00 56.93 59.14 2yqm s PHE 36 Cb -0.34 -3.67 -0.06 0.00 -0.57 0.00 0.00 43.02 38.38 2yqm s PHE 36 CO 0.28 -1.89 0.05 0.45 -0.10 0.00 0.00 175.22 174.02 2yqm s SER 37 N -0.36 1.89 0.16 1.36 0.15 -1.22 -5.01 113.70 110.67 2yqm s SER 37 Ca 0.50 -1.34 -0.17 0.00 0.70 0.00 0.00 55.95 55.65 2yqm s SER 37 Cb -0.39 0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.01 2yqm s SER 37 CO 0.51 -0.62 1.70 0.40 1.20 0.00 0.00 173.24 176.42 2yqm h ILE 38 N 2.28 0.71 -0.27 6.45 5.03 -1.99 -1.78 117.51 127.94 2yqm h ILE 38 Ca -0.39 -0.03 -0.12 0.00 -0.12 0.00 0.00 64.86 64.20 2yqm h ILE 38 Cb 1.24 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 35.64 2yqm h ILE 38 CO 0.66 0.01 -0.35 -1.28 -0.68 0.00 0.00 178.15 176.52 2yqm h SER 39 N 0.08 0.60 -1.95 1.72 0.87 -2.01 -3.32 113.55 109.54 2yqm h SER 39 Ca 0.18 -0.25 -0.77 0.00 -1.23 0.00 0.00 61.79 59.72 2yqm h SER 39 Cb 0.26 -0.17 -0.19 0.00 -0.44 0.00 0.00 62.40 61.86 2yqm h SER 39 CO -0.32 0.90 1.57 -1.14 -0.53 0.00 0.00 176.83 177.32 2yqm n ARG 40 N -4.06 3.80 -0.44 2.24 0.63 -0.67 -5.01 116.66 113.15 2yqm n ARG 40 Ca -0.01 -3.86 -0.30 0.00 -0.92 0.00 0.00 57.85 52.76 2yqm n ARG 40 Cb 0.48 -2.82 0.28 0.00 0.45 0.00 0.00 32.46 30.85 2yqm n ARG 40 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yqm s ARG 41 N -0.33 -2.65 0.25 -0.14 1.81 -1.23 -3.45 118.95 113.21 2yqm s ARG 41 Ca 0.37 0.19 0.07 0.00 -1.72 0.00 0.00 55.73 54.64 2yqm s ARG 41 Cb 0.06 -1.41 -0.03 0.00 -0.45 0.00 0.00 34.95 33.12 2yqm s ARG 41 CO 0.03 -4.70 0.23 0.15 -0.68 0.00 0.00 175.30 170.32 2yqm s LYS 42 N -5.03 3.00 -0.10 3.54 1.02 -1.26 -3.61 119.74 117.30 2yqm s LYS 42 Ca 0.69 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 2yqm s LYS 42 Cb -0.14 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 2yqm s LYS 42 CO 0.58 0.39 0.01 -1.01 -0.92 0.00 0.00 175.35 174.41 2yqm s HIS 43 N -2.12 0.69 -0.56 3.18 3.76 0.23 -4.95 115.29 115.53 2yqm s HIS 43 Ca 0.33 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.71 2yqm s HIS 43 Cb -0.08 -0.83 0.04 0.00 1.11 0.00 0.00 32.58 32.82 2yqm s HIS 43 CO 0.26 -0.38 1.00 -1.01 -0.85 0.00 0.00 174.74 173.75 2yqm s HIS 44 N 1.97 2.75 0.92 1.40 3.76 -1.26 -2.99 115.29 121.83 2yqm s HIS 44 Ca 0.04 0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.90 2yqm s HIS 44 Cb -0.13 -4.18 0.03 0.00 1.11 0.00 0.00 32.58 29.42 2yqm s HIS 44 CO -0.06 -1.41 0.47 0.00 -0.85 0.00 0.00 174.74 172.89 2yqm n ARG 46 N -1.75 0.68 0.00 0.00 3.00 -1.26 -3.60 116.66 113.73 2yqm n ARG 46 Ca 0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 2yqm n ARG 46 Cb 0.53 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 -2.56 0.00 0.20 0.55 5.15 -1.26 -4.50 115.26 112.83 2yqm n ASN 47 Ca -0.22 0.18 0.06 0.00 -0.60 0.00 0.00 54.58 54.00 2yqm n ASN 47 Cb 0.93 -0.28 0.40 0.00 -0.53 0.00 0.00 39.78 40.30 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 -0.02 -1.05 3.54 0.00 0.00 -1.24 -5.02 105.19 101.40 2yqm n GLY 49 Ca -0.01 0.53 -0.26 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.37 1.86 -0.14 1.61 3.76 -1.26 -4.85 115.29 112.90 2yqm s HIS 50 Ca 0.42 -1.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.04 2yqm s HIS 50 Cb -0.05 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 2yqm s HIS 50 CO 0.71 -0.12 0.37 0.42 -0.85 0.00 0.00 174.74 175.27 2yqm s ILE 51 N -3.17 5.25 0.22 0.60 -1.09 -1.26 -2.59 121.20 119.15 2yqm s ILE 51 Ca 0.25 0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 59.30 2yqm s ILE 51 Cb 0.04 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2yqm s ILE 51 CO 0.13 0.37 0.34 -0.36 -1.23 0.00 0.00 174.94 174.19 2yqm s PHE 52 N 0.47 0.60 0.46 3.97 0.08 -1.16 -3.91 117.98 118.48 2yqm s PHE 52 Ca 0.21 -0.92 0.08 0.00 0.12 0.00 0.00 56.93 56.42 2yqm s PHE 52 Cb -0.14 -0.08 0.02 0.00 -0.57 0.00 0.00 43.02 42.26 2yqm s PHE 52 CO 0.07 -0.84 0.58 0.00 -0.10 0.00 0.00 175.22 174.94 2yqm h ASN 54 N 0.60 0.83 0.36 0.00 -0.73 -1.86 0.18 115.58 114.95 2yqm h ASN 54 Ca -0.38 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 57.80 2yqm h ASN 54 Cb 1.28 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 2yqm h ASN 54 CO 0.47 0.41 -0.23 0.74 -0.37 0.00 0.00 177.43 178.44 2yqm h THR 55 N 0.87 0.96 -0.71 -3.57 2.02 -1.94 -2.52 112.91 108.01 2yqm h THR 55 Ca 0.51 -0.86 -0.42 0.00 0.77 0.00 0.00 66.41 66.40 2yqm h THR 55 Cb 0.64 1.49 -0.24 0.00 -1.74 0.00 0.00 68.15 68.30 2yqm h THR 55 CO -0.28 0.23 0.23 0.00 0.37 0.00 0.00 175.52 176.07 2yqm n SER 57 N -1.04 -0.88 -2.48 0.00 3.41 -0.80 -3.80 113.62 108.03 2yqm n SER 57 Ca 0.48 -1.97 -0.36 0.00 -0.26 0.00 0.00 58.87 56.76 2yqm n SER 57 Cb 1.13 0.26 0.07 0.00 -0.26 0.00 0.00 64.21 65.41 2yqm n SER 57 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yqm n SER 58 N 0.02 7.58 -3.81 4.04 7.64 -1.14 -4.67 113.62 123.27 2yqm n SER 58 Ca -0.26 -3.80 -0.12 0.00 1.01 0.00 0.00 58.87 55.70 2yqm n SER 58 Cb 0.71 -0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 62.82 2yqm n SER 58 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2yqm s ASN 59 N -1.68 -0.16 0.08 6.43 0.01 -1.25 -5.08 114.94 113.28 2yqm s ASN 59 Ca 0.61 0.22 0.07 0.00 -0.71 0.00 0.00 52.86 53.05 2yqm s ASN 59 Cb 0.49 0.38 -0.03 0.00 0.41 0.00 0.00 41.25 42.50 2yqm s ASN 59 CO -0.12 -0.22 -0.18 -1.61 -1.51 0.00 0.00 177.10 173.45 2yqm s GLU 60 N -0.53 1.03 -0.11 -0.60 2.02 -1.26 -0.30 118.70 118.94 2yqm s GLU 60 Ca -0.06 -1.04 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 2yqm s GLU 60 Cb -0.04 -1.18 0.04 0.00 0.10 0.00 0.00 34.13 33.05 2yqm s GLU 60 CO 0.01 0.28 0.39 -1.17 0.02 0.00 0.00 175.26 174.79 2yqm s LEU 61 N -1.72 0.51 -0.63 1.80 2.96 -1.10 -4.95 118.68 115.55 2yqm s LEU 61 Ca 0.03 0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 54.30 2yqm s LEU 61 Cb -0.10 1.41 0.04 0.00 0.50 0.00 0.00 46.19 48.04 2yqm s LEU 61 CO 0.03 -0.24 1.14 0.00 -1.32 0.00 0.00 176.35 175.96 2yqm s ALA 62 N -0.25 2.97 0.41 5.97 0.00 -1.26 -3.07 121.76 126.53 2yqm s ALA 62 Ca -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2yqm s ALA 62 Cb -0.03 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 2yqm s ALA 62 CO 0.02 -2.81 0.67 -0.51 0.00 0.00 0.00 175.76 173.13 2yqm s LEU 63 N 4.87 3.83 0.36 0.00 1.43 -1.26 -4.95 118.68 122.94 2yqm s LEU 63 Ca 0.35 0.75 0.27 0.00 -1.03 0.00 0.00 54.13 54.47 2yqm s LEU 63 Cb -0.10 -3.65 1.13 0.00 0.03 0.00 0.00 46.19 43.60 2yqm s LEU 63 CO 0.19 -0.42 1.80 1.55 0.23 0.00 0.00 176.35 179.70 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 1.03 -0.23 0.00 0.00 178.00 179.42 2yqm h SER 65 N 0.00 -0.01 -2.63 1.44 0.87 -1.99 -3.46 113.55 107.78 2yqm h SER 65 Ca 0.00 -0.81 -0.55 0.00 -1.23 0.00 0.00 61.79 59.20 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 0.82 -0.46 -0.31 -0.53 0.00 0.00 176.83 176.35 2yqm s TYR 66 N -2.80 3.49 0.12 2.24 2.02 -1.19 -5.03 117.35 116.20 2yqm s TYR 66 Ca -0.17 0.15 -0.13 0.00 -0.37 0.00 0.00 57.07 56.55 2yqm s TYR 66 Cb -0.02 -1.69 -0.06 0.00 -0.40 0.00 0.00 41.96 39.79 2yqm s TYR 66 CO 0.66 0.52 1.45 -1.00 -1.57 0.00 0.00 175.55 175.61 2yqm h PRO 67 N 2.29 0.84 -6.29 -1.71 0.13 -1.89 -3.39 132.00 121.97 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 0.70 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 -0.04 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 33.65 2yqm s LYS 68 CO 0.86 0.39 1.48 -1.25 0.10 0.00 0.00 175.35 176.93 2yqm s PRO 69 N -3.34 4.24 0.52 1.78 0.04 -1.26 -4.62 135.00 132.36 2yqm s PRO 69 Ca 0.29 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.43 2yqm s PRO 69 Cb -0.07 -3.73 0.08 0.00 0.04 0.00 0.00 34.50 30.82 2yqm s PRO 69 CO 0.18 -0.69 0.66 1.33 0.04 0.00 0.00 177.00 178.52 2yqm n VAL 70 N 5.02 0.00 -2.70 -0.36 0.24 -1.17 -4.71 118.33 114.64 2yqm n VAL 70 Ca 0.15 -1.79 -0.43 0.00 -2.04 0.00 0.00 64.34 60.23 2yqm n VAL 70 Cb 0.43 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 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 -4.32 4.00 0.55 7.34 3.52 -1.26 -2.69 118.95 126.08 2yqm s ARG 71 Ca 0.50 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 57.03 2yqm s ARG 71 Cb -0.04 -3.76 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 2yqm s ARG 71 CO 0.32 -0.91 0.20 0.14 -0.81 0.00 0.00 175.30 174.24 2yqm s VAL 72 N 3.58 1.26 0.20 7.11 -7.23 0.58 -4.37 120.40 121.53 2yqm s VAL 72 Ca 0.43 -1.75 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 2yqm s VAL 72 Cb -0.12 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2yqm s VAL 72 CO 0.16 0.00 0.30 0.00 -0.31 0.00 0.00 175.10 175.25 2yqm h ASP 74 N 1.70 0.00 0.59 0.00 3.58 -1.93 0.23 116.42 120.59 2yqm h ASP 74 Ca -0.50 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.89 2yqm h ASP 74 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2yqm h ASP 74 CO 0.64 0.00 -0.30 -1.28 -2.88 0.00 0.00 179.24 175.42 2yqm h SER 75 N 0.00 0.00 0.02 2.28 0.87 -1.94 -2.64 113.55 112.14 2yqm h SER 75 Ca 0.09 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.26 2yqm h SER 75 Cb 0.47 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 2yqm h SER 75 CO -0.00 0.30 -2.39 0.00 -0.53 0.00 0.00 176.83 174.21 2yqm h HIS 77 N -0.13 -0.72 -0.56 0.00 6.17 -0.73 0.19 115.15 119.37 2yqm h HIS 77 Ca -0.57 0.00 0.07 0.00 0.71 0.00 0.00 60.37 60.59 2yqm h HIS 77 Cb 1.87 0.27 -0.06 0.00 2.52 0.00 0.00 27.41 32.02 2yqm h HIS 77 CO 0.03 -0.36 0.25 1.15 0.71 0.00 0.00 177.93 179.71 2yqm h THR 78 N -0.54 0.86 0.41 6.26 2.02 -1.72 -0.82 112.91 119.38 2yqm h THR 78 Ca -0.04 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2yqm h THR 78 Cb 0.46 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2yqm h THR 78 CO -0.01 0.08 -0.41 0.25 0.37 0.00 0.00 175.52 175.80 2yqm h LEU 79 N 0.46 -1.11 -1.92 2.58 5.85 -1.62 0.15 115.31 119.69 2yqm h LEU 79 Ca 0.27 0.09 0.19 0.00 0.84 0.00 0.00 57.88 59.26 2yqm h LEU 79 Cb 0.26 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2yqm h LEU 79 CO -0.23 -0.54 0.48 -0.07 -0.34 0.00 0.00 178.44 177.74 2yqm h LEU 80 N -0.81 0.07 -0.48 2.25 3.38 -0.44 0.22 115.31 119.48 2yqm h LEU 80 Ca -0.05 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2yqm h LEU 80 Cb 0.70 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2yqm h LEU 80 CO -0.05 0.03 -0.71 -0.07 0.09 0.00 0.00 178.44 177.74 2yqm h LEU 81 N 0.07 0.34 -3.89 1.67 3.38 -0.27 -3.20 115.31 113.40 2yqm h LEU 81 Ca 0.33 -0.22 -0.61 0.00 0.09 0.00 0.00 57.88 57.47 2yqm h LEU 81 Cb 1.21 -0.10 -0.33 0.00 0.09 0.00 0.00 40.66 41.53 2yqm h LEU 81 CO -0.03 0.94 0.24 0.00 0.09 0.00 0.00 178.44 179.68 2yqm n GLN 82 N -3.81 2.97 -3.07 1.13 -0.00 0.67 -4.98 117.38 110.28 2yqm n GLN 82 Ca -0.03 -3.58 -0.13 0.00 -0.00 0.00 0.00 57.00 53.26 2yqm n GLN 82 Cb 0.69 -2.26 -0.03 0.00 -0.00 0.00 0.00 30.24 28.64 2yqm n GLN 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2yqm n ARG 83 N -0.86 1.31 -3.57 2.61 0.63 -0.66 -4.95 116.66 111.16 2yqm n ARG 83 Ca 0.55 -1.50 -0.29 0.00 -0.92 0.00 0.00 57.85 55.69 2yqm n ARG 83 Cb 0.81 0.50 -0.13 0.00 0.45 0.00 0.00 32.46 34.09 2yqm n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yqm s SER 85 N 1.30 5.91 -0.97 0.00 0.15 -1.26 -4.98 113.70 113.86 2yqm s SER 85 Ca 0.14 -1.98 -0.02 0.00 0.70 0.00 0.00 55.95 54.79 2yqm s SER 85 Cb -0.21 -2.08 0.29 0.00 -1.71 0.00 0.00 66.02 62.31 2yqm s SER 85 CO -0.13 -0.72 1.25 -1.20 1.20 0.00 0.00 173.24 173.64 2yqm n SER 86 N 4.87 5.63 -2.98 5.45 7.64 -1.26 -4.71 113.62 128.26 2yqm n SER 86 Ca -0.07 -3.39 -0.18 0.00 1.01 0.00 0.00 58.87 56.24 2yqm n SER 86 Cb 0.41 -1.12 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 2yqm n SER 86 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2yqm n THR 87 N 1.32 -3.19 -2.79 0.44 -1.04 -1.26 -4.95 114.28 102.81 2yqm n THR 87 Ca 0.27 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.72 2yqm n THR 87 Cb 0.35 -3.83 -0.04 0.00 -1.82 0.00 0.00 70.33 64.99 2yqm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yqm s ALA 88 N -3.27 3.14 0.00 2.41 0.00 -1.26 -5.32 121.76 117.46 2yqm s ALA 88 Ca 0.32 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2yqm s ALA 88 Cb -0.14 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2yqm s ALA 88 CO 0.59 -2.42 0.00 -1.13 0.00 0.00 0.00 175.76 172.80