#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 -1.27 0.03 1.61 1.04 -1.26 -5.16 113.70 108.69 2yqm s SER 2 Ca 0.00 0.78 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 2yqm s SER 2 Cb 0.00 2.07 0.02 0.00 0.10 0.00 0.00 66.02 68.21 2yqm s SER 2 CO 0.00 -0.27 0.29 -0.44 0.98 0.00 0.00 173.24 173.80 2yqm s SER 3 N 2.83 -0.12 -0.03 7.02 0.01 -1.26 -5.17 113.70 116.99 2yqm s SER 3 Ca 0.20 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.33 2yqm s SER 3 Cb -0.15 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.43 2yqm s SER 3 CO -0.21 -0.56 -0.04 -0.83 0.41 0.00 0.00 173.24 172.01 2yqm s GLY 4 N -1.85 0.36 0.43 3.44 0.00 -1.26 -5.15 107.32 103.30 2yqm s GLY 4 Ca -0.08 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.63 2yqm s GLY 4 CO -0.01 0.23 0.21 -1.35 0.00 0.00 0.00 173.10 172.18 2yqm s SER 5 N 0.56 4.47 0.20 1.64 1.04 -1.26 -5.12 113.70 115.24 2yqm s SER 5 Ca -0.07 -1.11 -0.20 0.00 0.48 0.00 0.00 55.95 55.05 2yqm s SER 5 Cb -0.10 -0.33 -0.08 0.00 0.10 0.00 0.00 66.02 65.60 2yqm s SER 5 CO -0.00 -0.63 0.72 -0.94 0.98 0.00 0.00 173.24 173.37 2yqm s SER 6 N -3.96 7.11 -0.22 7.02 1.04 -1.26 -5.05 113.70 118.38 2yqm s SER 6 Ca 0.39 1.44 -0.17 0.00 0.48 0.00 0.00 55.95 58.08 2yqm s SER 6 Cb 0.03 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 2yqm s SER 6 CO 0.22 0.08 0.48 -0.83 0.98 0.00 0.00 173.24 174.16 2yqm s GLY 7 N -1.54 2.01 -1.12 7.32 0.00 -1.26 -5.01 107.32 107.73 2yqm s GLY 7 Ca 0.41 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.53 2yqm s GLY 7 CO 0.22 1.04 1.13 1.39 0.00 0.00 0.00 173.10 176.87 2yqm n ILE 8 N 4.66 4.58 -3.97 0.90 5.41 -1.26 -4.96 119.36 124.72 2yqm n ILE 8 Ca -0.06 -5.38 -0.32 0.00 1.00 0.00 0.00 62.75 58.00 2yqm n ILE 8 Cb 0.50 -2.59 -0.14 0.00 -0.71 0.00 0.00 39.64 36.71 2yqm n ILE 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2yqm s LYS 9 N -1.25 1.68 -0.10 0.38 1.02 -1.26 -5.07 119.74 115.14 2yqm s LYS 9 Ca 0.31 -2.05 -0.00 0.00 0.02 0.00 0.00 55.97 54.25 2yqm s LYS 9 Cb -0.10 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2yqm s LYS 9 CO -0.08 -1.00 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.07 2yqm s GLU 10 N 0.65 1.43 -0.21 1.68 0.41 -1.26 -5.11 118.70 116.28 2yqm s GLU 10 Ca 0.12 -0.23 -0.28 0.00 -0.41 0.00 0.00 54.97 54.17 2yqm s GLU 10 Cb -0.21 -1.48 0.00 0.00 -1.78 0.00 0.00 34.13 30.67 2yqm s GLU 10 CO -0.06 -0.23 0.98 0.08 -0.49 0.00 0.00 175.26 175.55 2yqm s VAL 11 N 1.59 4.73 -0.42 2.63 1.01 -1.26 -4.92 120.40 123.76 2yqm s VAL 11 Ca 0.02 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.97 2yqm s VAL 11 Cb -0.13 -4.26 0.61 0.00 0.00 0.00 0.00 36.38 32.60 2yqm s VAL 11 CO -0.06 -0.13 1.81 0.59 0.00 0.00 0.00 175.10 177.31 2yqm n ASN 12 N 6.05 3.70 -4.56 3.32 3.02 -1.26 -4.93 115.26 120.59 2yqm n ASN 12 Ca 0.10 -3.67 -0.41 0.00 -0.03 0.00 0.00 54.58 50.56 2yqm n ASN 12 Cb 0.47 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2yqm n ASN 12 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2yqm s GLN 13 N -3.33 3.31 -0.19 3.52 0.74 -1.26 -4.93 119.66 117.52 2yqm s GLN 13 Ca 0.54 -0.01 -0.30 0.00 0.05 0.00 0.00 55.36 55.64 2yqm s GLN 13 Cb 0.46 -4.12 0.14 0.00 1.10 0.00 0.00 33.01 30.60 2yqm s GLN 13 CO 0.07 -1.97 1.11 0.00 -0.55 0.00 0.00 175.29 173.95 2yqm s ALA 14 N 5.52 -1.99 -0.07 1.58 0.00 -1.26 -5.11 121.76 120.42 2yqm s ALA 14 Ca 0.39 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.93 2yqm s ALA 14 Cb -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2yqm s ALA 14 CO 0.19 -0.36 0.11 -0.11 0.00 0.00 0.00 175.76 175.60 2yqm n LEU 15 N 0.49 -5.73 -2.68 0.00 0.00 -1.26 -5.04 117.00 102.77 2yqm n LEU 15 Ca -0.06 2.21 -0.06 0.00 0.00 0.00 0.00 56.01 58.10 2yqm n LEU 15 Cb 0.58 -2.93 0.07 0.00 0.00 0.00 0.00 43.42 41.14 2yqm n LEU 15 CO 0.12 -2.97 0.55 2.29 0.00 0.00 0.00 177.39 177.39 2yqm n LYS 16 N 1.50 0.74 -3.80 1.96 2.85 -1.26 -5.13 118.16 115.03 2yqm n LYS 16 Ca -0.18 -1.34 -0.36 0.00 -1.05 0.00 0.00 58.31 55.37 2yqm n LYS 16 Cb 0.28 -0.12 -0.13 0.00 -0.65 0.00 0.00 35.03 34.41 2yqm n LYS 16 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2yqm s GLY 17 N -0.76 1.72 0.07 2.58 0.00 -1.26 -5.08 107.32 104.59 2yqm s GLY 17 Ca 0.15 -1.18 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 2yqm s GLY 17 CO -0.07 0.52 1.32 -2.38 0.00 0.00 0.00 173.10 172.49 2yqm s HIS 18 N 1.56 3.23 -0.30 1.90 -3.43 -1.26 -5.00 115.29 112.00 2yqm s HIS 18 Ca 0.06 1.06 -0.13 0.00 -0.80 0.00 0.00 55.06 55.24 2yqm s HIS 18 Cb -0.15 -3.58 0.14 0.00 -1.43 0.00 0.00 32.58 27.56 2yqm s HIS 18 CO 0.01 -1.98 0.82 0.00 -2.00 0.00 0.00 174.74 171.59 2yqm s ALA 19 N 1.37 -2.33 0.41 -1.38 0.00 -1.26 -5.18 121.76 113.40 2yqm s ALA 19 Ca 0.62 2.22 0.02 0.00 0.00 0.00 0.00 51.96 54.82 2yqm s ALA 19 Cb -0.33 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2yqm s ALA 19 CO 0.29 -0.86 0.14 -2.67 0.00 0.00 0.00 175.76 172.66 2yqm n TRP 20 N 5.04 0.18 -4.11 0.00 2.14 -1.26 -5.15 117.44 114.28 2yqm n TRP 20 Ca -0.12 -1.89 -0.18 0.00 2.07 0.00 0.00 57.50 57.38 2yqm n TRP 20 Cb 0.52 -0.30 -0.16 0.00 -0.81 0.00 0.00 31.31 30.56 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 0.00 1.47 0.40 5.67 1.43 -1.26 -5.15 118.68 121.24 2yqm s LEU 21 Ca 0.10 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2yqm s LEU 21 Cb -0.01 -0.35 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 2yqm s LEU 21 CO 0.07 -0.03 0.17 -0.75 0.23 0.00 0.00 176.35 176.03 2yqm s LYS 22 N 0.66 1.94 -0.38 1.70 2.47 -1.26 -5.12 119.74 119.74 2yqm s LYS 22 Ca -0.08 -2.18 -0.02 0.00 -1.56 0.00 0.00 55.97 52.13 2yqm s LYS 22 Cb -0.11 -0.40 0.24 0.00 -1.46 0.00 0.00 37.83 36.10 2yqm s LYS 22 CO -0.00 -0.55 1.08 -0.40 0.16 0.00 0.00 175.35 175.64 2yqm n ASP 23 N -1.44 -1.85 -0.12 1.43 5.75 -1.26 -5.03 116.55 114.02 2yqm n ASP 23 Ca -0.04 -1.87 -0.09 0.00 -0.01 0.00 0.00 54.79 52.79 2yqm n ASP 23 Cb 0.64 1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 41.74 2yqm n ASP 23 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2yqm h ASP 24 N 3.85 0.48 0.00 -1.12 5.19 -2.05 -3.46 116.42 119.30 2yqm h ASP 24 Ca -0.11 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2yqm h ASP 24 Cb 1.16 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2yqm h ASP 24 CO -0.06 0.45 0.00 -0.62 -3.12 0.00 0.00 179.24 175.88 2yqm n GLU 25 N -4.74 0.00 -2.70 3.56 1.02 -1.26 -5.08 120.64 111.44 2yqm n GLU 25 Ca -0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2yqm n GLU 25 Cb 0.09 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.57 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 -1.86 -2.75 0.06 0.62 0.00 -1.26 -5.01 120.51 110.32 2yqm n ALA 26 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 2yqm n ALA 26 Cb 0.00 -2.48 0.05 0.00 0.00 0.00 0.00 19.45 17.02 2yqm n ALA 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2yqm h THR 27 N 2.23 1.40 -2.49 0.00 1.35 -1.98 -3.46 112.91 109.96 2yqm h THR 27 Ca -0.17 -2.15 -0.53 0.00 -0.55 0.00 0.00 66.41 63.02 2yqm h THR 27 Cb 1.14 2.12 -0.14 0.00 -1.73 0.00 0.00 68.15 69.54 2yqm h THR 27 CO 0.01 0.64 -0.70 -1.00 -0.25 0.00 0.00 175.52 174.22 2yqm s HIS 28 N -3.61 2.04 0.61 4.73 3.76 -1.26 -3.85 115.29 117.71 2yqm s HIS 28 Ca -0.05 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.08 2yqm s HIS 28 Cb 0.11 -1.09 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 2yqm s HIS 28 CO 0.83 0.41 1.25 0.00 -0.85 0.00 0.00 174.74 176.38 2yqm n ARG 30 N -1.48 2.23 0.00 0.00 3.00 -1.23 -2.94 116.66 116.24 2yqm n ARG 30 Ca 0.14 -2.42 0.00 0.00 -0.00 0.00 0.00 57.85 55.57 2yqm n ARG 30 Cb 0.47 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.98 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 -0.32 0.00 -0.03 -0.14 7.27 -1.26 -4.95 117.38 117.95 2yqm n GLN 31 Ca 0.46 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.51 2yqm n GLN 31 Cb 0.66 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.18 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 -2.70 -6.02 -4.45 0.00 -0.58 -1.15 -4.98 120.64 100.75 2yqm n GLU 33 Ca -0.18 0.71 -0.23 0.00 -0.42 0.00 0.00 57.16 57.04 2yqm n GLU 33 Cb 0.92 -5.35 -0.13 0.00 -0.57 0.00 0.00 31.44 26.31 2yqm n GLU 33 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yqm s LYS 34 N -5.51 1.14 0.00 3.49 1.02 -1.26 -4.87 119.74 113.76 2yqm s LYS 34 Ca 0.18 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 2yqm s LYS 34 Cb -0.08 -1.22 -0.07 0.00 -0.52 0.00 0.00 37.83 35.93 2yqm s LYS 34 CO 0.62 0.30 1.76 -2.00 -0.92 0.00 0.00 175.35 175.11 2yqm s GLU 35 N -1.28 4.17 0.12 1.68 2.12 -1.26 -2.60 118.70 121.65 2yqm s GLU 35 Ca 0.04 2.36 -0.34 0.00 0.36 0.00 0.00 54.97 57.40 2yqm s GLU 35 Cb -0.09 -3.97 -0.14 0.00 0.26 0.00 0.00 34.13 30.20 2yqm s GLU 35 CO 0.02 -0.86 1.60 1.19 -0.54 0.00 0.00 175.26 176.66 2yqm n PHE 36 N 6.96 2.21 -4.53 5.30 3.72 -1.25 -4.98 117.46 124.89 2yqm n PHE 36 Ca 0.18 0.27 -0.30 0.00 -0.05 0.00 0.00 57.45 57.55 2yqm n PHE 36 Cb 0.42 -2.54 -0.07 0.00 -0.94 0.00 0.00 39.48 36.35 2yqm n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yqm s SER 37 N 1.29 4.20 0.16 4.37 0.01 -0.69 -4.98 113.70 118.07 2yqm s SER 37 Ca 0.81 -1.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.43 2yqm s SER 37 Cb -0.71 0.23 0.09 0.00 0.21 0.00 0.00 66.02 65.84 2yqm s SER 37 CO 0.41 -0.79 1.69 0.40 0.41 0.00 0.00 173.24 175.36 2yqm h ILE 38 N 1.34 0.68 0.00 1.44 1.08 -2.00 -0.96 117.51 119.09 2yqm h ILE 38 Ca -0.43 -0.02 -0.10 0.00 -0.39 0.00 0.00 64.86 63.92 2yqm h ILE 38 Cb 1.29 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 2yqm h ILE 38 CO 0.72 0.01 -0.48 0.77 -0.69 0.00 0.00 178.15 178.49 2yqm h SER 39 N 0.06 0.00 -3.45 1.72 4.64 -2.00 -3.35 113.55 111.17 2yqm h SER 39 Ca 0.18 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.81 2yqm h SER 39 Cb 0.27 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.00 2yqm h SER 39 CO -0.34 0.48 -0.21 -0.13 -0.87 0.00 0.00 176.83 175.76 2yqm s ARG 40 N -3.91 3.04 0.85 4.77 3.00 -0.38 -4.86 118.95 121.47 2yqm s ARG 40 Ca -0.02 -3.17 -0.11 0.00 0.00 0.00 0.00 55.73 52.43 2yqm s ARG 40 Cb 0.13 -3.84 0.14 0.00 0.00 0.00 0.00 34.95 31.39 2yqm s ARG 40 CO 0.74 -1.25 1.19 1.03 0.00 0.00 0.00 175.30 177.01 2yqm s ARG 41 N -1.16 1.30 0.11 3.54 0.52 -1.14 -1.70 118.95 120.43 2yqm s ARG 41 Ca 0.25 -0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 54.83 2yqm s ARG 41 Cb -0.09 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.31 2yqm s ARG 41 CO -0.12 -1.92 0.68 0.15 0.02 0.00 0.00 175.30 174.11 2yqm s LYS 42 N -5.61 4.40 -0.14 3.54 1.02 -1.26 -3.35 119.74 118.33 2yqm s LYS 42 Ca 0.68 0.96 -0.00 0.00 0.02 0.00 0.00 55.97 57.63 2yqm s LYS 42 Cb -0.06 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2yqm s LYS 42 CO 0.50 0.57 -0.09 -1.01 -0.92 0.00 0.00 175.35 174.39 2yqm s HIS 43 N -0.99 1.81 -0.12 3.18 3.76 -0.03 -4.98 115.29 117.92 2yqm s HIS 43 Ca 0.33 -1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 53.96 2yqm s HIS 43 Cb -0.21 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 2yqm s HIS 43 CO 0.23 -0.60 0.81 -1.01 -0.85 0.00 0.00 174.74 173.31 2yqm s HIS 44 N 1.60 3.50 0.37 1.40 0.09 -1.26 -2.84 115.29 118.15 2yqm s HIS 44 Ca 0.04 1.31 -0.26 0.00 -0.00 0.00 0.00 55.06 56.14 2yqm s HIS 44 Cb -0.13 -2.96 -0.09 0.00 -0.00 0.00 0.00 32.58 29.40 2yqm s HIS 44 CO -0.09 -0.11 1.12 0.00 -0.00 0.00 0.00 174.74 175.66 2yqm n ARG 46 N 0.34 4.56 0.00 0.00 3.00 -1.26 -3.55 116.66 119.75 2yqm n ARG 46 Ca 0.03 -2.98 0.00 0.00 -0.01 0.00 0.00 57.85 54.89 2yqm n ARG 46 Cb 0.47 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.75 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 0.68 0.00 0.09 0.55 5.15 -1.26 -4.89 115.26 115.58 2yqm n ASN 47 Ca 0.26 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.21 2yqm n ASN 47 Cb 1.11 0.00 -0.06 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 1.30 -0.33 3.41 0.00 0.00 -1.23 -5.05 105.19 103.30 2yqm n GLY 49 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.04 1.78 -0.18 1.61 3.76 -1.26 -4.91 115.29 113.05 2yqm s HIS 50 Ca 0.04 -1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 53.40 2yqm s HIS 50 Cb -0.01 -0.94 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 2yqm s HIS 50 CO 0.23 -0.61 -0.02 0.42 -0.85 0.00 0.00 174.74 173.91 2yqm s ILE 51 N -3.29 3.85 0.26 0.60 -1.09 -1.26 -2.71 121.20 117.56 2yqm s ILE 51 Ca 0.31 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.36 2yqm s ILE 51 Cb 0.02 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 2yqm s ILE 51 CO 0.21 0.45 0.28 -0.36 -1.23 0.00 0.00 174.94 174.30 2yqm s PHE 52 N 0.79 1.13 0.46 3.97 0.08 -1.13 -3.48 117.98 119.79 2yqm s PHE 52 Ca -0.01 -1.31 0.07 0.00 0.12 0.00 0.00 56.93 55.80 2yqm s PHE 52 Cb -0.14 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 2yqm s PHE 52 CO 0.02 -0.83 0.62 0.00 -0.10 0.00 0.00 175.22 174.93 2yqm h ASN 54 N 0.50 -0.39 -0.17 0.00 -1.24 -1.86 0.25 115.58 112.67 2yqm h ASN 54 Ca -0.40 0.09 0.05 0.00 0.71 0.00 0.00 56.30 56.75 2yqm h ASN 54 Cb 1.28 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 40.54 2yqm h ASN 54 CO 0.46 -0.16 0.20 0.74 -1.29 0.00 0.00 177.43 177.38 2yqm h THR 55 N -0.11 0.44 0.18 -3.57 2.02 -1.93 -1.30 112.91 108.63 2yqm h THR 55 Ca 0.12 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.94 2yqm h THR 55 Cb 0.28 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2yqm h THR 55 CO -0.27 0.00 -1.77 0.00 0.37 0.00 0.00 175.52 173.85 2yqm n SER 57 N -3.57 7.10 -2.17 0.00 3.41 0.68 -2.59 113.62 116.48 2yqm n SER 57 Ca -0.25 -3.79 -0.29 0.00 -0.26 0.00 0.00 58.87 54.28 2yqm n SER 57 Cb 1.07 -1.01 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.41 6.14 -3.92 4.04 2.88 -0.89 -4.73 113.62 116.74 2yqm n SER 58 Ca 0.50 -3.75 -0.09 0.00 -1.33 0.00 0.00 58.87 54.20 2yqm n SER 58 Cb 0.29 -0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 62.84 2yqm n SER 58 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2yqm s ASN 59 N -2.05 0.13 0.07 -3.46 0.01 -1.26 -5.10 114.94 103.28 2yqm s ASN 59 Ca 0.60 -0.77 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2yqm s ASN 59 Cb 0.48 0.36 -0.03 0.00 0.41 0.00 0.00 41.25 42.47 2yqm s ASN 59 CO 0.02 -0.77 -0.09 -1.61 -1.51 0.00 0.00 177.10 173.14 2yqm s GLU 60 N -3.91 0.72 -0.18 -0.60 2.02 -1.26 -2.26 118.70 113.23 2yqm s GLU 60 Ca 0.10 -1.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.91 2yqm s GLU 60 Cb 0.05 -0.44 0.05 0.00 0.10 0.00 0.00 34.13 33.88 2yqm s GLU 60 CO -0.07 0.07 0.51 -1.17 0.02 0.00 0.00 175.26 174.62 2yqm s LEU 61 N -2.08 0.04 -0.52 1.80 2.96 -1.10 -4.96 118.68 114.83 2yqm s LEU 61 Ca -0.01 0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 54.61 2yqm s LEU 61 Cb -0.06 1.78 0.03 0.00 0.50 0.00 0.00 46.19 48.44 2yqm s LEU 61 CO -0.00 -0.21 1.03 0.00 -1.32 0.00 0.00 176.35 175.85 2yqm s ALA 62 N 0.12 3.14 0.35 5.97 0.00 -1.26 -2.93 121.76 127.15 2yqm s ALA 62 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2yqm s ALA 62 Cb -0.04 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2yqm s ALA 62 CO 0.01 -2.32 0.57 -0.51 0.00 0.00 0.00 175.76 173.51 2yqm s LEU 63 N 4.22 3.99 0.28 0.00 1.43 -1.26 -4.96 118.68 122.37 2yqm s LEU 63 Ca 0.39 0.53 0.24 0.00 -1.03 0.00 0.00 54.13 54.26 2yqm s LEU 63 Cb -0.10 -3.39 1.01 0.00 0.03 0.00 0.00 46.19 43.74 2yqm s LEU 63 CO 0.25 -0.30 1.73 -0.81 0.23 0.00 0.00 176.35 177.45 2yqm n PRO 64 N -1.66 0.21 -0.05 1.29 -0.04 -1.26 -3.30 135.00 130.19 2yqm n PRO 64 Ca -0.04 0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2yqm n PRO 64 Cb 0.56 -1.90 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2yqm n PRO 64 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2yqm h SER 65 N 0.00 -0.02 -2.92 3.54 0.02 -1.98 -3.46 113.55 108.73 2yqm h SER 65 Ca 0.00 -0.59 -0.54 0.00 -0.84 0.00 0.00 61.79 59.83 2yqm h SER 65 Cb 0.37 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2yqm h SER 65 CO 0.00 0.75 -0.31 -0.31 -1.14 0.00 0.00 176.83 175.82 2yqm s TYR 66 N -2.20 3.48 0.13 3.45 2.02 -1.21 -5.02 117.35 118.01 2yqm s TYR 66 Ca -0.12 0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2yqm s TYR 66 Cb -0.02 -1.90 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 2yqm s TYR 66 CO 0.44 0.36 1.46 -1.00 -1.57 0.00 0.00 175.55 175.24 2yqm h PRO 67 N 2.05 0.88 -6.29 -1.71 0.13 -1.90 -3.39 132.00 121.77 2yqm h PRO 67 Ca -0.48 -0.47 -0.58 0.00 -0.87 0.00 0.00 66.00 63.60 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 0.68 1.11 -0.67 -1.59 -0.23 0.00 0.00 178.00 177.30 2yqm s LYS 68 N -4.38 2.22 0.05 0.86 -2.85 -1.26 -4.94 119.74 109.43 2yqm s LYS 68 Ca -0.11 -1.35 -0.31 0.00 -1.00 0.00 0.00 55.97 53.20 2yqm s LYS 68 Cb 0.10 -2.17 -0.07 0.00 -2.06 0.00 0.00 37.83 33.64 2yqm s LYS 68 CO 0.87 0.39 1.41 -1.25 0.10 0.00 0.00 175.35 176.88 2yqm s PRO 69 N -3.34 4.29 0.46 1.78 0.04 -1.26 -4.62 135.00 132.37 2yqm s PRO 69 Ca 0.29 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.41 2yqm s PRO 69 Cb -0.07 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 31.07 2yqm s PRO 69 CO 0.18 -0.53 0.45 1.33 0.04 0.00 0.00 177.00 178.47 2yqm n VAL 70 N 4.39 0.00 -2.76 -0.36 0.24 -1.15 -4.71 118.33 113.97 2yqm n VAL 70 Ca 0.13 -1.74 -0.42 0.00 -2.04 0.00 0.00 64.34 60.26 2yqm n VAL 70 Cb 0.43 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 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 -3.97 4.22 0.48 7.34 3.52 -1.26 -2.70 118.95 126.58 2yqm s ARG 71 Ca 0.34 1.17 0.03 0.00 -0.13 0.00 0.00 55.73 57.13 2yqm s ARG 71 Cb -0.03 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2yqm s ARG 71 CO 0.22 -0.59 0.01 0.14 -0.81 0.00 0.00 175.30 174.27 2yqm s VAL 72 N 3.05 1.34 0.47 7.11 -7.23 -0.96 -4.11 120.40 120.08 2yqm s VAL 72 Ca 0.40 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2yqm s VAL 72 Cb -0.15 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2yqm s VAL 72 CO 0.07 0.00 0.68 0.00 -0.31 0.00 0.00 175.10 175.54 2yqm h ASP 74 N 0.35 0.23 0.19 0.00 3.32 -1.90 0.12 116.42 118.74 2yqm h ASP 74 Ca -0.45 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2yqm h ASP 74 Cb 1.26 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2yqm h ASP 74 CO 0.55 0.34 -0.09 -1.28 -1.72 0.00 0.00 179.24 177.04 2yqm h SER 75 N 0.25 0.00 0.00 6.45 0.87 -1.94 -0.29 113.55 118.89 2yqm h SER 75 Ca 0.05 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.21 2yqm h SER 75 Cb 0.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 2yqm h SER 75 CO 0.01 0.09 -2.22 0.00 -0.53 0.00 0.00 176.83 174.19 2yqm h HIS 77 N -1.00 0.26 -0.36 0.00 6.17 -0.78 0.20 115.15 119.64 2yqm h HIS 77 Ca -0.61 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 60.33 2yqm h HIS 77 Cb 1.53 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.41 2yqm h HIS 77 CO -0.05 0.07 -0.41 1.15 0.71 0.00 0.00 177.93 179.40 2yqm h THR 78 N 0.31 1.27 0.76 6.26 2.02 -1.27 -2.15 112.91 120.13 2yqm h THR 78 Ca 0.23 -1.59 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 2yqm h THR 78 Cb 0.26 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2yqm h THR 78 CO -0.26 0.53 -0.37 0.25 0.37 0.00 0.00 175.52 176.04 2yqm h LEU 79 N 0.73 -0.87 -1.16 2.58 5.85 -1.43 -0.89 115.31 120.12 2yqm h LEU 79 Ca 0.05 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.96 2yqm h LEU 79 Cb 1.00 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 2yqm h LEU 79 CO 0.10 -0.57 0.60 -0.07 -0.34 0.00 0.00 178.44 178.16 2yqm h LEU 80 N -1.13 0.74 -1.22 2.25 3.38 -0.72 0.18 115.31 118.79 2yqm h LEU 80 Ca -0.10 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2yqm h LEU 80 Cb 0.79 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2yqm h LEU 80 CO 0.17 0.35 -0.20 -0.07 0.09 0.00 0.00 178.44 178.78 2yqm h LEU 81 N 0.77 0.29 -3.73 1.67 3.38 -1.27 -2.87 115.31 113.55 2yqm h LEU 81 Ca 0.49 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.89 2yqm h LEU 81 Cb 0.73 -0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.10 2yqm h LEU 81 CO -0.26 0.50 -0.12 0.00 0.09 0.00 0.00 178.44 178.65 2yqm n GLN 82 N -4.19 2.89 -3.21 1.13 1.13 0.42 -4.98 117.38 110.56 2yqm n GLN 82 Ca -0.01 -3.66 -0.41 0.00 -1.94 0.00 0.00 57.00 50.98 2yqm n GLN 82 Cb 0.33 -2.17 -0.08 0.00 0.11 0.00 0.00 30.24 28.44 2yqm n GLN 82 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2yqm s ARG 83 N -3.58 3.62 0.00 -1.09 0.52 -0.03 -4.86 118.95 113.53 2yqm s ARG 83 Ca 0.54 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 2yqm s ARG 83 Cb 0.44 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 32.10 2yqm s ARG 83 CO 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 175.30 174.66 2yqm n SER 85 N -2.23 0.74 -4.20 0.00 2.88 -1.26 -5.12 113.62 104.44 2yqm n SER 85 Ca 0.00 -1.66 -0.25 0.00 -1.33 0.00 0.00 58.87 55.63 2yqm n SER 85 Cb 0.50 -0.45 -0.15 0.00 -0.75 0.00 0.00 64.21 63.36 2yqm n SER 85 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yqm s SER 86 N -3.68 2.19 -0.13 -3.46 0.01 -1.26 -5.14 113.70 102.23 2yqm s SER 86 Ca 0.43 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 57.20 2yqm s SER 86 Cb -0.02 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 66.03 2yqm s SER 86 CO 0.29 0.19 0.33 -0.89 0.41 0.00 0.00 173.24 173.57 2yqm s THR 87 N -0.58 -0.02 -1.04 1.44 2.01 -1.26 -5.09 115.64 111.11 2yqm s THR 87 Ca 0.07 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 2yqm s THR 87 Cb -0.08 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 71.96 2yqm s THR 87 CO 0.00 0.03 1.70 0.00 -0.69 0.00 0.00 174.62 175.66 2yqm s ALA 88 N 0.81 2.36 -2.08 7.40 0.00 -1.26 -5.29 121.76 123.70 2yqm s ALA 88 Ca -0.05 -2.09 0.17 0.00 0.00 0.00 0.00 51.96 49.98 2yqm s ALA 88 Cb -0.06 -4.57 0.13 0.00 0.00 0.00 0.00 23.12 18.62 2yqm s ALA 88 CO -0.06 -4.14 1.03 -1.13 0.00 0.00 0.00 175.76 171.46