#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 -0.45 -0.27 1.61 0.01 -1.26 -5.18 113.70 108.17 2yqm s SER 2 Ca 0.00 0.71 -0.29 0.00 1.31 0.00 0.00 55.95 57.68 2yqm s SER 2 Cb 0.00 1.21 0.18 0.00 0.21 0.00 0.00 66.02 67.62 2yqm s SER 2 CO 0.00 -0.11 1.30 -0.44 0.41 0.00 0.00 173.24 174.40 2yqm s SER 3 N 1.38 -0.09 0.00 2.44 0.01 -1.26 -5.18 113.70 110.99 2yqm s SER 3 Ca -0.08 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2yqm s SER 3 Cb -0.04 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2yqm s SER 3 CO -0.14 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2yqm n GLY 4 N 0.59 -0.60 3.14 3.44 0.00 -1.26 -5.08 105.19 105.42 2yqm n GLY 4 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.00 5.42 -0.33 1.61 1.04 -1.26 -5.01 113.70 111.17 2yqm s SER 5 Ca 0.00 -2.32 -0.01 0.00 0.48 0.00 0.00 55.95 54.09 2yqm s SER 5 Cb 0.00 -1.90 0.12 0.00 0.10 0.00 0.00 66.02 64.34 2yqm s SER 5 CO 0.00 -0.52 0.16 -0.55 0.98 0.00 0.00 173.24 173.31 2yqm s SER 6 N 1.63 3.52 0.00 7.02 0.15 -1.26 -4.92 113.70 119.84 2yqm s SER 6 Ca 0.11 -1.80 0.01 0.00 0.70 0.00 0.00 55.95 54.97 2yqm s SER 6 Cb -0.22 -0.58 0.01 0.00 -1.71 0.00 0.00 66.02 63.53 2yqm s SER 6 CO -0.03 -0.38 0.90 0.61 1.20 0.00 0.00 173.24 175.54 2yqm n GLY 7 N 4.60 0.62 3.23 9.45 0.00 -1.26 -5.09 105.19 116.74 2yqm n GLY 7 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.46 0.12 -0.61 1.01 -1.26 -5.08 121.20 118.83 2yqm s ILE 8 Ca 0.01 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.43 2yqm s ILE 8 Cb 0.01 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2yqm s ILE 8 CO -0.01 -0.16 -0.05 -1.59 0.00 0.00 0.00 174.94 173.13 2yqm s LYS 9 N 1.34 0.91 -0.27 2.79 -2.85 -1.26 -5.14 119.74 115.26 2yqm s LYS 9 Ca -0.03 -1.39 -0.00 0.00 -1.00 0.00 0.00 55.97 53.55 2yqm s LYS 9 Cb -0.20 -0.24 0.15 0.00 -2.06 0.00 0.00 37.83 35.48 2yqm s LYS 9 CO 0.01 -0.04 0.40 -2.00 0.10 0.00 0.00 175.35 173.82 2yqm s GLU 10 N -3.85 0.39 -0.23 1.78 2.12 -1.26 -5.14 118.70 112.50 2yqm s GLU 10 Ca 0.15 0.34 -0.20 0.00 0.36 0.00 0.00 54.97 55.62 2yqm s GLU 10 Cb 0.05 -0.36 0.06 0.00 0.26 0.00 0.00 34.13 34.14 2yqm s GLU 10 CO -0.02 -0.84 0.61 0.54 -0.54 0.00 0.00 175.26 175.01 2yqm s VAL 11 N 2.55 -0.00 -0.39 3.70 0.11 -1.26 -5.08 120.40 120.04 2yqm s VAL 11 Ca 0.11 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.28 2yqm s VAL 11 Cb -0.14 -0.86 0.38 0.00 -1.53 0.00 0.00 36.38 34.24 2yqm s VAL 11 CO -0.23 0.00 1.09 -3.20 -3.33 0.00 0.00 175.10 169.43 2yqm n ASN 12 N 2.93 -0.70 -4.18 3.54 2.85 -1.26 -5.11 115.26 113.33 2yqm n ASN 12 Ca -0.15 -2.92 -0.29 0.00 -0.11 0.00 0.00 54.58 51.12 2yqm n ASN 12 Cb 0.56 0.57 -0.16 0.00 1.24 0.00 0.00 39.78 41.98 2yqm n ASN 12 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2yqm s GLN 13 N -1.07 2.25 -0.43 1.20 -0.21 -1.26 -5.07 119.66 115.07 2yqm s GLN 13 Ca 0.26 -0.72 0.07 0.00 0.02 0.00 0.00 55.36 55.00 2yqm s GLN 13 Cb 0.38 -1.86 0.24 0.00 1.00 0.00 0.00 33.01 32.78 2yqm s GLN 13 CO -0.05 0.24 0.54 0.00 -2.12 0.00 0.00 175.29 173.91 2yqm n ALA 14 N 3.25 2.71 -2.06 6.09 0.00 -1.26 -5.11 120.51 124.14 2yqm n ALA 14 Ca -0.19 -3.60 -0.42 0.00 0.00 0.00 0.00 53.44 49.23 2yqm n ALA 14 Cb 0.53 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.31 4.38 -0.05 0.00 1.43 -1.26 -5.02 118.68 116.85 2yqm s LEU 15 Ca 0.36 2.44 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 2yqm s LEU 15 Cb 0.16 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.81 2yqm s LEU 15 CO -0.10 -0.67 0.02 -0.75 0.23 0.00 0.00 176.35 175.08 2yqm s LYS 16 N 0.75 0.28 0.00 1.70 2.20 -1.26 -5.10 119.74 118.31 2yqm s LYS 16 Ca 0.64 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 2yqm s LYS 16 Cb -0.39 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.27 2yqm s LYS 16 CO 0.33 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 2yqm n GLY 17 N 4.90 -2.17 3.28 5.54 0.00 -1.26 -5.08 105.19 110.39 2yqm n GLY 17 Ca -0.11 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 2yqm n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2yqm s HIS 18 N -2.88 0.04 0.64 1.61 -3.43 -1.26 -5.15 115.29 104.86 2yqm s HIS 18 Ca 0.00 -0.42 -0.18 0.00 -0.80 0.00 0.00 55.06 53.66 2yqm s HIS 18 Cb 0.00 0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 31.21 2yqm s HIS 18 CO 0.00 -0.64 1.19 0.00 -2.00 0.00 0.00 174.74 173.28 2yqm n ALA 19 N -0.15 0.81 -2.84 -1.38 0.00 -1.26 -5.02 120.51 110.67 2yqm n ALA 19 Ca -0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 2yqm n ALA 19 Cb 0.63 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 2yqm n ALA 19 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2yqm s TRP 20 N -1.44 2.08 -0.25 0.00 1.48 -1.26 -5.11 118.94 114.43 2yqm s TRP 20 Ca 0.81 -0.62 0.01 0.00 -1.06 0.00 0.00 56.10 55.24 2yqm s TRP 20 Cb -0.39 -1.38 0.06 0.00 -1.16 0.00 0.00 33.47 30.61 2yqm s TRP 20 CO 0.42 -0.20 -0.06 -0.51 -4.06 0.00 0.00 176.95 172.55 2yqm s LEU 21 N -0.05 2.87 -0.57 -4.66 1.43 -1.26 -5.08 118.68 111.36 2yqm s LEU 21 Ca -0.04 -1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 51.53 2yqm s LEU 21 Cb -0.13 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.86 2yqm s LEU 21 CO 0.03 -0.24 0.96 -0.54 0.23 0.00 0.00 176.35 176.80 2yqm s LYS 22 N 1.31 3.30 -0.48 1.70 1.02 -1.26 -4.91 119.74 120.41 2yqm s LYS 22 Ca -0.05 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.68 2yqm s LYS 22 Cb -0.19 -4.08 0.31 0.00 -0.52 0.00 0.00 37.83 33.35 2yqm s LYS 22 CO -0.07 -1.56 0.76 -0.25 -0.92 0.00 0.00 175.35 173.31 2yqm n ASP 23 N 7.59 2.27 -3.00 2.83 8.00 -1.26 -4.92 116.55 128.06 2yqm n ASP 23 Ca 0.01 -3.22 -0.22 0.00 0.71 0.00 0.00 54.79 52.07 2yqm n ASP 23 Cb 0.47 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.44 2.76 -1.35 -2.24 8.00 -1.26 -4.85 116.55 118.04 2yqm n ASP 24 Ca 0.27 -3.34 -0.09 0.00 0.71 0.00 0.00 54.79 52.33 2yqm n ASP 24 Cb 0.51 -0.58 0.16 0.00 -0.02 0.00 0.00 41.12 41.20 2yqm n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2yqm n GLU 25 N -0.02 2.18 -3.45 -1.24 1.02 -1.26 -4.96 120.64 112.90 2yqm n GLU 25 Ca 0.28 -3.39 -0.22 0.00 -0.02 0.00 0.00 57.16 53.80 2yqm n GLU 25 Cb 0.55 -1.91 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.04 -2.53 -0.17 0.62 0.00 -1.26 -4.85 120.51 111.27 2yqm n ALA 26 Ca 0.36 -0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.90 2yqm n ALA 26 Cb 0.96 -4.54 0.51 0.00 0.00 0.00 0.00 19.45 16.39 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 -1.32 0.77 -3.63 0.00 2.02 -1.93 -3.42 112.91 105.40 2yqm h THR 27 Ca -0.59 -0.14 -0.30 0.00 0.77 0.00 0.00 66.41 66.16 2yqm h THR 27 Cb 1.31 0.34 -0.16 0.00 -1.74 0.00 0.00 68.15 67.90 2yqm h THR 27 CO 0.45 0.07 -0.72 -1.00 0.37 0.00 0.00 175.52 174.69 2yqm s HIS 28 N -5.39 1.09 0.94 3.16 3.76 -1.26 -3.93 115.29 113.66 2yqm s HIS 28 Ca -0.08 -0.75 -0.12 0.00 -0.15 0.00 0.00 55.06 53.96 2yqm s HIS 28 Cb 0.21 -0.58 0.05 0.00 1.11 0.00 0.00 32.58 33.37 2yqm s HIS 28 CO 0.77 -0.01 0.50 0.00 -0.85 0.00 0.00 174.74 175.15 2yqm n ARG 30 N -2.01 2.44 0.14 0.00 0.00 -1.24 -3.96 116.66 112.03 2yqm n ARG 30 Ca 0.07 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.87 2yqm n ARG 30 Cb 0.53 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 31.07 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 -0.83 0.00 0.07 -0.14 7.27 -1.26 -4.92 117.38 117.57 2yqm n GLN 31 Ca 0.34 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.42 2yqm n GLN 31 Cb 1.13 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.73 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 -3.03 -1.78 -4.50 0.00 1.02 -1.25 -5.02 120.64 106.06 2yqm n GLU 33 Ca -0.05 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.68 2yqm n GLU 33 Cb 0.80 -5.12 -0.15 0.00 -0.02 0.00 0.00 31.44 26.95 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 -4.02 1.09 0.15 3.49 -0.14 -1.26 -4.89 119.74 114.15 2yqm s LYS 34 Ca 0.34 -0.39 -0.34 0.00 -1.36 0.00 0.00 55.97 54.21 2yqm s LYS 34 Cb -0.04 -1.01 -0.14 0.00 -1.68 0.00 0.00 37.83 34.95 2yqm s LYS 34 CO 0.62 0.18 1.54 -1.91 -0.76 0.00 0.00 175.35 175.02 2yqm n GLU 35 N 3.10 1.99 -2.38 1.68 2.13 -1.26 -3.42 120.64 122.48 2yqm n GLU 35 Ca -0.17 0.72 -0.42 0.00 0.66 0.00 0.00 57.16 57.95 2yqm n GLU 35 Cb 0.55 -2.46 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 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 0.82 3.18 0.34 4.31 0.08 -1.25 -5.00 117.98 120.45 2yqm s PHE 36 Ca 0.79 1.13 0.08 0.00 0.12 0.00 0.00 56.93 59.05 2yqm s PHE 36 Cb -0.72 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.19 2yqm s PHE 36 CO 0.39 -1.64 0.14 -1.12 -0.10 0.00 0.00 175.22 172.89 2yqm s SER 37 N 1.45 4.68 0.14 1.36 0.01 -1.23 -5.01 113.70 115.10 2yqm s SER 37 Ca 0.59 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.90 2yqm s SER 37 Cb -0.28 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.21 2yqm s SER 37 CO 0.26 -0.29 1.71 0.40 0.41 0.00 0.00 173.24 175.73 2yqm h ILE 38 N 1.56 0.81 0.00 1.44 1.08 -2.00 -1.32 117.51 119.07 2yqm h ILE 38 Ca -0.44 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2yqm h ILE 38 Cb 1.25 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 2yqm h ILE 38 CO 0.63 0.01 -0.23 -1.28 -0.69 0.00 0.00 178.15 176.59 2yqm h SER 39 N 0.06 0.00 -3.18 1.72 0.87 -2.02 -3.30 113.55 107.70 2yqm h SER 39 Ca 0.12 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 59.92 2yqm h SER 39 Cb 0.16 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.80 2yqm h SER 39 CO -0.21 0.23 0.30 -1.14 -0.53 0.00 0.00 176.83 175.49 2yqm n ARG 40 N -4.01 3.47 -1.67 2.24 3.00 -0.50 -5.05 116.66 114.14 2yqm n ARG 40 Ca -0.02 -4.51 -0.33 0.00 -0.00 0.00 0.00 57.85 52.99 2yqm n ARG 40 Cb 0.31 -2.47 0.06 0.00 0.00 0.00 0.00 32.46 30.35 2yqm n ARG 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2yqm s ARG 41 N -1.87 2.65 0.36 -0.14 1.81 -1.23 -3.53 118.95 117.00 2yqm s ARG 41 Ca 0.31 1.42 -0.07 0.00 -1.72 0.00 0.00 55.73 55.67 2yqm s ARG 41 Cb -0.03 -1.93 -0.05 0.00 -0.45 0.00 0.00 34.95 32.49 2yqm s ARG 41 CO -0.03 -1.37 0.66 -1.59 -0.68 0.00 0.00 175.30 172.29 2yqm s LYS 42 N -4.14 3.68 0.06 3.54 -2.85 -1.26 -4.08 119.74 114.68 2yqm s LYS 42 Ca 0.67 0.20 0.07 0.00 -1.00 0.00 0.00 55.97 55.91 2yqm s LYS 42 Cb -0.21 -2.52 -0.03 0.00 -2.06 0.00 0.00 37.83 33.01 2yqm s LYS 42 CO 0.43 0.07 -0.18 -1.01 0.10 0.00 0.00 175.35 174.76 2yqm s HIS 43 N -2.27 1.60 -0.31 1.78 3.76 0.80 -4.98 115.29 115.68 2yqm s HIS 43 Ca 0.47 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.90 2yqm s HIS 43 Cb -0.10 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.67 2yqm s HIS 43 CO 0.32 0.11 0.12 -1.58 -0.85 0.00 0.00 174.74 172.86 2yqm s HIS 44 N -0.98 3.17 0.43 1.40 2.46 -1.26 -2.25 115.29 118.26 2yqm s HIS 44 Ca 0.05 -0.76 -0.24 0.00 0.47 0.00 0.00 55.06 54.57 2yqm s HIS 44 Cb -0.09 -2.31 -0.10 0.00 -0.13 0.00 0.00 32.58 29.95 2yqm s HIS 44 CO 0.02 -0.51 1.13 0.00 -2.47 0.00 0.00 174.74 172.91 2yqm n ARG 46 N -0.01 4.75 0.04 0.00 3.00 -1.26 -3.43 116.66 119.76 2yqm n ARG 46 Ca 0.08 -3.13 0.00 0.00 -0.01 0.00 0.00 57.85 54.79 2yqm n ARG 46 Cb 0.40 -2.22 0.00 0.00 0.00 0.00 0.00 32.46 30.64 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 0.21 0.09 0.55 5.15 -1.26 -4.89 115.26 115.83 2yqm n ASN 47 Ca 0.28 0.14 0.05 0.00 -0.60 0.00 0.00 54.58 54.45 2yqm n ASN 47 Cb 1.16 0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 40.41 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 1.27 -0.84 3.25 0.00 0.00 -1.22 -5.04 105.19 102.62 2yqm n GLY 49 Ca -0.04 0.26 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.71 1.36 -0.25 1.61 3.76 -1.26 -4.89 115.29 112.91 2yqm s HIS 50 Ca 0.03 -1.36 -0.10 0.00 -0.15 0.00 0.00 55.06 53.48 2yqm s HIS 50 Cb -0.01 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 2yqm s HIS 50 CO 0.39 -0.57 0.17 0.42 -0.85 0.00 0.00 174.74 174.29 2yqm s ILE 51 N -3.93 5.29 0.06 0.60 -1.09 -1.26 -2.41 121.20 118.46 2yqm s ILE 51 Ca 0.38 0.16 -0.09 0.00 -2.23 0.00 0.00 60.65 58.88 2yqm s ILE 51 Cb 0.06 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2yqm s ILE 51 CO 0.15 0.31 0.18 -0.36 -1.23 0.00 0.00 174.94 173.99 2yqm s PHE 52 N 1.32 0.11 0.67 3.97 0.08 -0.96 -3.73 117.98 119.45 2yqm s PHE 52 Ca 0.07 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 2yqm s PHE 52 Cb -0.14 -0.06 0.09 0.00 -0.57 0.00 0.00 43.02 42.34 2yqm s PHE 52 CO 0.07 -0.46 0.93 0.00 -0.10 0.00 0.00 175.22 175.66 2yqm h ASN 54 N -0.35 0.77 0.47 0.00 -0.73 -1.90 0.24 115.58 114.08 2yqm h ASN 54 Ca -0.39 0.08 -0.07 0.00 1.87 0.00 0.00 56.30 57.80 2yqm h ASN 54 Cb 1.28 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 2yqm h ASN 54 CO 0.45 0.32 -0.33 0.74 -0.37 0.00 0.00 177.43 178.24 2yqm h THR 55 N 0.80 1.07 -0.76 -3.57 2.02 -1.95 -2.36 112.91 108.15 2yqm h THR 55 Ca 0.53 -1.21 -0.43 0.00 0.77 0.00 0.00 66.41 66.06 2yqm h THR 55 Cb 0.72 1.69 -0.25 0.00 -1.74 0.00 0.00 68.15 68.57 2yqm h THR 55 CO -0.35 0.33 0.33 0.00 0.37 0.00 0.00 175.52 176.20 2yqm n SER 57 N -1.07 -0.48 -2.61 0.00 3.41 -0.54 -4.07 113.62 108.25 2yqm n SER 57 Ca 0.50 -1.35 -0.37 0.00 -0.26 0.00 0.00 58.87 57.39 2yqm n SER 57 Cb 1.22 0.22 0.06 0.00 -0.26 0.00 0.00 64.21 65.45 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 -0.48 7.57 -3.74 4.04 2.88 -0.92 -4.68 113.62 118.29 2yqm n SER 58 Ca -0.06 -3.78 -0.10 0.00 -1.33 0.00 0.00 58.87 53.60 2yqm n SER 58 Cb 0.61 -1.03 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 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 -1.36 -0.06 0.06 -3.46 0.01 -1.26 -5.09 114.94 103.79 2yqm s ASN 59 Ca 0.58 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.27 2yqm s ASN 59 Cb 0.47 0.41 -0.03 0.00 0.41 0.00 0.00 41.25 42.50 2yqm s ASN 59 CO -0.22 -0.79 -0.07 -1.61 -1.51 0.00 0.00 177.10 172.91 2yqm s GLU 60 N -3.80 0.64 -0.09 -0.60 2.02 -1.26 -0.89 118.70 114.72 2yqm s GLU 60 Ca 0.04 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 53.89 2yqm s GLU 60 Cb 0.03 -0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.07 2yqm s GLU 60 CO -0.11 0.01 0.36 -1.17 0.02 0.00 0.00 175.26 174.37 2yqm s LEU 61 N -2.19 0.64 -0.61 1.80 2.96 -1.03 -4.92 118.68 115.33 2yqm s LEU 61 Ca -0.01 0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 54.13 2yqm s LEU 61 Cb -0.03 1.31 0.03 0.00 0.50 0.00 0.00 46.19 48.00 2yqm s LEU 61 CO -0.02 -0.27 1.14 0.00 -1.32 0.00 0.00 176.35 175.88 2yqm s ALA 62 N -0.43 2.99 0.37 5.97 0.00 -1.26 -3.03 121.76 126.37 2yqm s ALA 62 Ca -0.06 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2yqm s ALA 62 Cb -0.04 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 2yqm s ALA 62 CO 0.02 -2.74 0.61 -0.51 0.00 0.00 0.00 175.76 173.14 2yqm s LEU 63 N 4.85 3.92 0.32 0.00 1.43 -1.26 -4.96 118.68 122.97 2yqm s LEU 63 Ca 0.37 0.62 0.26 0.00 -1.03 0.00 0.00 54.13 54.35 2yqm s LEU 63 Cb -0.09 -3.50 1.07 0.00 0.03 0.00 0.00 46.19 43.69 2yqm s LEU 63 CO 0.21 -0.36 1.77 1.55 0.23 0.00 0.00 176.35 179.75 2yqm h PRO 64 N 0.76 0.00 0.03 1.29 0.13 -1.95 -3.18 132.00 129.08 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 -0.02 0.66 -0.23 0.00 0.00 178.00 179.03 2yqm h SER 65 N 0.00 -0.04 -2.80 1.44 4.64 -1.94 -3.46 113.55 111.38 2yqm h SER 65 Ca 0.00 -0.64 -0.54 0.00 -0.47 0.00 0.00 61.79 60.14 2yqm h SER 65 Cb 0.38 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2yqm h SER 65 CO 0.00 0.73 -0.37 -0.31 -0.87 0.00 0.00 176.83 176.01 2yqm s TYR 66 N -2.55 3.49 0.13 4.77 2.02 -1.20 -5.03 117.35 118.98 2yqm s TYR 66 Ca -0.14 0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.75 2yqm s TYR 66 Cb -0.01 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2yqm s TYR 66 CO 0.52 0.42 1.46 -1.00 -1.57 0.00 0.00 175.55 175.38 2yqm h PRO 67 N 2.14 0.90 -6.30 -1.71 0.13 -1.90 -3.39 132.00 121.87 2yqm h PRO 67 Ca -0.48 -0.48 -0.59 0.00 -0.87 0.00 0.00 66.00 63.59 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 1.12 -0.68 -1.59 -0.23 0.00 0.00 178.00 177.32 2yqm s LYS 68 N -4.39 2.20 -0.07 0.86 -2.85 -1.26 -4.94 119.74 109.29 2yqm s LYS 68 Ca -0.11 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.21 2yqm s LYS 68 Cb 0.11 -2.16 -0.04 0.00 -2.06 0.00 0.00 37.83 33.67 2yqm s LYS 68 CO 0.87 0.40 1.51 -1.25 0.10 0.00 0.00 175.35 176.98 2yqm s PRO 69 N -3.31 4.21 0.49 1.78 0.04 -1.26 -4.62 135.00 132.33 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 -3.85 0.08 0.00 0.04 0.00 0.00 34.50 30.70 2yqm s PRO 69 CO 0.18 -0.76 0.68 1.33 0.04 0.00 0.00 177.00 178.47 2yqm n VAL 70 N 5.30 0.00 -2.65 -0.36 0.24 -1.17 -4.68 118.33 115.01 2yqm n VAL 70 Ca 0.16 -1.65 -0.43 0.00 -2.04 0.00 0.00 64.34 60.38 2yqm n VAL 70 Cb 0.43 -0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 32.20 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 -4.24 4.10 0.51 7.34 3.52 -1.26 -2.46 118.95 126.46 2yqm s ARG 71 Ca 0.52 1.11 0.01 0.00 -0.13 0.00 0.00 55.73 57.24 2yqm s ARG 71 Cb -0.04 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 2yqm s ARG 71 CO 0.33 -0.85 0.02 0.14 -0.81 0.00 0.00 175.30 174.13 2yqm s VAL 72 N 3.56 1.18 0.30 7.11 -7.23 -0.07 -4.15 120.40 121.11 2yqm s VAL 72 Ca 0.45 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2yqm s VAL 72 Cb -0.13 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2yqm s VAL 72 CO 0.14 0.00 0.49 0.00 -0.31 0.00 0.00 175.10 175.42 2yqm h ASP 74 N 1.07 0.17 0.36 0.00 1.82 -1.95 0.16 116.42 118.05 2yqm h ASP 74 Ca -0.50 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.12 2yqm h ASP 74 Cb 1.21 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 2yqm h ASP 74 CO 0.63 0.12 -0.09 -1.28 -1.61 0.00 0.00 179.24 177.00 2yqm h SER 75 N 0.20 0.00 0.00 2.28 0.87 -1.94 -1.77 113.55 113.20 2yqm h SER 75 Ca 0.10 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.24 2yqm h SER 75 Cb 0.16 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 2yqm h SER 75 CO -0.02 0.09 -2.44 0.00 -0.53 0.00 0.00 176.83 173.93 2yqm h HIS 77 N -0.60 -0.46 -0.17 0.00 6.17 -0.75 0.23 115.15 119.56 2yqm h HIS 77 Ca -0.63 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 60.41 2yqm h HIS 77 Cb 1.72 0.23 -0.00 0.00 2.52 0.00 0.00 27.41 31.87 2yqm h HIS 77 CO -0.03 -0.25 -0.11 1.15 0.71 0.00 0.00 177.93 179.39 2yqm h THR 78 N -0.22 1.32 0.42 6.26 2.02 -1.56 -2.36 112.91 118.80 2yqm h THR 78 Ca 0.10 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 2yqm h THR 78 Cb 0.37 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2yqm h THR 78 CO -0.27 0.36 -0.50 0.25 0.37 0.00 0.00 175.52 175.74 2yqm h LEU 79 N 0.05 -1.39 -0.76 2.58 5.85 -1.53 -2.08 115.31 118.03 2yqm h LEU 79 Ca 0.04 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2yqm h LEU 79 Cb 0.62 0.47 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 2yqm h LEU 79 CO 0.03 -0.64 0.36 -0.07 -0.34 0.00 0.00 178.44 177.79 2yqm h LEU 80 N -0.94 0.43 -1.89 2.25 3.38 -0.63 0.12 115.31 118.03 2yqm h LEU 80 Ca -0.05 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.16 2yqm h LEU 80 Cb 0.84 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2yqm h LEU 80 CO -0.11 0.20 0.41 -0.07 0.09 0.00 0.00 178.44 178.97 2yqm h LEU 81 N 0.56 0.11 -3.81 1.67 3.38 -0.93 0.55 115.31 116.83 2yqm h LEU 81 Ca 0.40 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.87 2yqm h LEU 81 Cb 0.53 -0.02 -0.28 0.00 0.09 0.00 0.00 40.66 40.98 2yqm h LEU 81 CO -0.34 0.06 0.32 0.00 0.09 0.00 0.00 178.44 178.57 2yqm n GLN 82 N -4.41 2.53 -3.02 1.13 10.64 0.40 -4.98 117.38 119.68 2yqm n GLN 82 Ca 0.11 -3.34 -0.41 0.00 -1.83 0.00 0.00 57.00 51.53 2yqm n GLN 82 Cb 0.58 -2.15 -0.05 0.00 -0.86 0.00 0.00 30.24 27.75 2yqm n GLN 82 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 2yqm s ARG 83 N -3.53 4.23 -0.56 2.61 3.52 0.18 -4.99 118.95 120.41 2yqm s ARG 83 Ca 0.56 0.78 0.07 0.00 -0.13 0.00 0.00 55.73 57.00 2yqm s ARG 83 Cb 0.46 -3.59 0.25 0.00 -1.56 0.00 0.00 34.95 30.52 2yqm s ARG 83 CO 0.03 -0.31 0.69 0.00 -0.81 0.00 0.00 175.30 174.89 2yqm s SER 85 N -2.12 2.01 -0.27 0.00 0.01 -1.26 -5.07 113.70 106.99 2yqm s SER 85 Ca 0.39 -1.71 0.11 0.00 1.31 0.00 0.00 55.95 56.05 2yqm s SER 85 Cb 0.16 0.53 0.47 0.00 0.21 0.00 0.00 66.02 67.39 2yqm s SER 85 CO -0.04 -1.00 1.18 -0.24 0.41 0.00 0.00 173.24 173.54 2yqm n SER 86 N -1.38 3.89 -4.94 2.44 2.88 -1.26 -5.06 113.62 110.20 2yqm n SER 86 Ca 0.02 -3.39 -0.24 0.00 -1.33 0.00 0.00 58.87 53.93 2yqm n SER 86 Cb 0.64 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.72 2yqm n SER 86 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2yqm s THR 87 N -4.21 1.80 -0.13 2.46 -4.23 -1.26 -5.15 115.64 104.93 2yqm s THR 87 Ca 0.45 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.52 2yqm s THR 87 Cb 0.39 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 72.11 2yqm s THR 87 CO 0.01 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.41 2yqm s ALA 88 N -2.74 -0.79 0.00 3.99 0.00 -1.26 -5.22 121.76 115.74 2yqm s ALA 88 Ca 0.42 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2yqm s ALA 88 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2yqm s ALA 88 CO 0.26 -0.21 0.49 0.45 0.00 0.00 0.00 175.76 176.75