#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yxc n PRO 2 N 0.00 0.39 -4.35 0.00 -0.02 -1.26 -5.00 135.00 124.76 2yxc n PRO 2 Ca 0.00 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 2yxc n PRO 2 Cb 0.00 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.11 2yxc n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yxc s LYS 3 N -3.57 2.95 0.24 -0.52 1.02 -1.26 -5.08 119.74 113.52 2yxc s LYS 3 Ca 0.73 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 2yxc s LYS 3 Cb -0.32 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 2yxc s LYS 3 CO 0.51 0.69 1.45 0.00 -0.92 0.00 0.00 175.35 177.07 2yxc s ALA 4 N -0.93 3.64 0.94 5.17 0.00 -1.26 -5.00 121.76 124.31 2yxc s ALA 4 Ca 0.15 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 2yxc s ALA 4 Cb -0.11 -3.56 0.16 0.00 0.00 0.00 0.00 23.12 19.60 2yxc s ALA 4 CO 0.04 -0.74 1.14 -1.25 0.00 0.00 0.00 175.76 174.94 2yxc s PRO 5 N -0.27 0.90 0.81 0.00 0.04 -1.26 -5.01 135.00 130.20 2yxc s PRO 5 Ca 0.60 0.27 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 2yxc s PRO 5 Cb -0.42 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.39 2yxc s PRO 5 CO 0.42 -2.36 1.19 0.00 0.04 0.00 0.00 177.00 176.29 2yxc s ALA 6 N -3.25 1.86 1.10 8.56 0.00 -1.26 -4.74 121.76 124.03 2yxc s ALA 6 Ca 0.65 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 2yxc s ALA 6 Cb -0.15 -3.47 0.25 0.00 0.00 0.00 0.00 23.12 19.75 2yxc s ALA 6 CO 0.54 -2.25 1.06 -0.51 0.00 0.00 0.00 175.76 174.60 2yxc s ASP 7 N -2.30 1.63 0.00 0.00 1.01 -1.26 -4.16 116.67 111.60 2yxc s ASP 7 Ca 0.71 1.27 0.00 0.00 0.71 0.00 0.00 52.55 55.25 2yxc s ASP 7 Cb -0.27 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.67 2yxc s ASP 7 CO 0.51 -3.76 0.00 0.61 0.21 0.00 0.00 175.17 172.74 2yxc n GLY 8 N -0.18 0.42 3.73 0.21 0.00 -1.21 -5.00 105.19 103.16 2yxc n GLY 8 Ca 0.04 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 2yxc n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yxc s LEU 9 N 0.00 4.40 -0.18 0.99 2.96 -0.85 -4.80 118.68 121.19 2yxc s LEU 9 Ca 0.00 2.29 -0.21 0.00 -0.22 0.00 0.00 54.13 55.99 2yxc s LEU 9 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2yxc s LEU 9 CO 0.00 -0.54 0.64 -0.54 -1.32 0.00 0.00 176.35 174.60 2yxc s LYS 10 N 0.46 4.24 -0.36 1.98 1.02 -1.26 -0.44 119.74 125.38 2yxc s LYS 10 Ca 0.59 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 57.13 2yxc s LYS 10 Cb -0.35 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 2yxc s LYS 10 CO 0.34 -0.20 0.22 -1.64 -0.92 0.00 0.00 175.35 173.14 2yxc s MET 11 N 1.78 3.02 -0.26 1.68 -1.94 -0.05 -4.97 119.30 118.56 2yxc s MET 11 Ca 0.30 -0.95 0.22 0.00 -1.71 0.00 0.00 55.69 53.55 2yxc s MET 11 Cb -0.16 -3.75 0.51 0.00 2.01 0.00 0.00 34.83 33.44 2yxc s MET 11 CO 0.11 -0.62 1.10 -0.40 -0.01 0.00 0.00 175.02 175.20 2yxc n ASP 12 N 5.03 1.61 0.25 3.03 3.85 -1.26 -1.30 116.55 127.76 2yxc n ASP 12 Ca -0.12 -2.09 0.16 0.00 -0.71 0.00 0.00 54.79 52.03 2yxc n ASP 12 Cb 0.47 -0.48 0.55 0.00 -1.35 0.00 0.00 41.12 40.31 2yxc n ASP 12 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 2yxc h LYS 13 N 2.63 0.00 -5.15 0.11 1.79 -1.96 -3.47 116.57 110.53 2yxc h LYS 13 Ca -0.13 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.71 2yxc h LYS 13 Cb 1.27 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.79 2yxc h LYS 13 CO 0.21 0.00 -0.52 0.95 -1.08 0.00 0.00 179.45 179.01 2yxc s THR 14 N -3.52 0.96 -2.10 -0.16 -4.23 -1.26 -5.02 115.64 100.31 2yxc s THR 14 Ca 0.03 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.74 2yxc s THR 14 Cb 0.08 -2.26 0.51 0.00 1.34 0.00 0.00 72.50 72.17 2yxc s THR 14 CO 0.56 0.00 1.66 0.29 -0.54 0.00 0.00 174.62 176.59 2yxc n LYS 15 N -1.11 1.25 -3.12 3.99 5.02 -1.26 -3.85 118.16 119.07 2yxc n LYS 15 Ca -0.13 -0.37 -0.27 0.00 -2.02 0.00 0.00 58.31 55.52 2yxc n LYS 15 Cb 0.66 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 2yxc n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yxc n GLN 16 N -0.42 2.94 -1.70 1.97 1.13 -1.26 -5.10 117.38 114.94 2yxc n GLN 16 Ca 0.15 -4.77 -0.39 0.00 -1.94 0.00 0.00 57.00 50.05 2yxc n GLN 16 Cb 0.15 -2.23 0.04 0.00 0.11 0.00 0.00 30.24 28.31 2yxc n GLN 16 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2yxc n PRO 17 N 0.18 1.46 -4.42 -1.09 -0.04 -1.25 -5.01 135.00 124.83 2yxc n PRO 17 Ca 0.30 0.54 -0.20 0.00 -0.04 0.00 0.00 63.50 64.11 2yxc n PRO 17 Cb 0.40 -2.41 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 2yxc n PRO 17 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yxc s VAL 18 N -1.34 0.89 -0.10 0.52 1.01 -0.42 -4.90 120.40 116.06 2yxc s VAL 18 Ca 0.72 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2yxc s VAL 18 Cb -0.44 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2yxc s VAL 18 CO 0.50 0.16 0.45 -0.69 0.00 0.00 0.00 175.10 175.52 2yxc s VAL 19 N -0.43 5.17 -0.17 2.92 1.01 -1.26 -0.87 120.40 126.77 2yxc s VAL 19 Ca 0.03 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2yxc s VAL 19 Cb -0.05 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2yxc s VAL 19 CO -0.00 0.37 -0.12 0.12 0.00 0.00 0.00 175.10 175.47 2yxc s PHE 20 N 0.33 2.85 -0.30 5.22 5.36 0.42 -4.94 117.98 126.91 2yxc s PHE 20 Ca 0.25 -1.00 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 2yxc s PHE 20 Cb -0.15 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2yxc s PHE 20 CO 0.10 -0.48 0.05 -0.80 -1.46 0.00 0.00 175.22 172.62 2yxc s ASN 21 N 0.98 5.01 0.35 6.13 0.01 -1.26 -2.01 114.94 124.14 2yxc s ASN 21 Ca -0.02 -1.04 0.03 0.00 -0.71 0.00 0.00 52.86 51.12 2yxc s ASN 21 Cb -0.15 -1.80 0.64 0.00 0.41 0.00 0.00 41.25 40.35 2yxc s ASN 21 CO -0.02 -0.25 1.99 0.45 -1.51 0.00 0.00 177.10 177.76 2yxc h HIS 22 N 8.13 0.82 -0.31 2.20 3.86 -1.85 -3.07 115.15 124.93 2yxc h HIS 22 Ca -0.26 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 2yxc h HIS 22 Cb 1.09 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 2yxc h HIS 22 CO 0.60 0.49 0.06 0.66 0.86 0.00 0.00 177.93 180.61 2yxc h SER 23 N 0.87 0.42 1.24 2.45 4.64 -1.94 -1.71 113.55 119.51 2yxc h SER 23 Ca 0.27 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2yxc h SER 23 Cb 0.01 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2yxc h SER 23 CO -0.07 0.43 0.00 0.35 -0.87 0.00 0.00 176.83 176.67 2yxc n THR 24 N -4.35 0.69 -1.39 2.95 -2.24 -1.16 -2.95 114.28 105.83 2yxc n THR 24 Ca 0.01 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2yxc n THR 24 Cb 0.18 -0.79 0.20 0.00 -2.10 0.00 0.00 70.33 67.81 2yxc n THR 24 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2yxc n MET 25 N -2.30 1.69 0.26 -0.78 2.81 -0.68 -4.73 117.12 113.40 2yxc n MET 25 Ca 0.04 -3.07 0.18 0.00 -1.81 0.00 0.00 57.70 53.04 2yxc n MET 25 Cb 0.36 -1.66 0.87 0.00 -0.71 0.00 0.00 33.22 32.08 2yxc n MET 25 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2yxc h LYS 26 N 0.83 0.00 0.00 0.03 2.10 -1.34 -1.31 116.57 116.89 2yxc h LYS 26 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2yxc h LYS 26 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2yxc h LYS 26 CO 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 2yxc h ALA 27 N 2.03 1.00 -2.80 0.07 0.00 -1.86 -3.42 119.26 114.27 2yxc h ALA 27 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2yxc h ALA 27 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2yxc h ALA 27 CO 0.00 0.00 -0.07 0.08 0.00 0.00 0.00 179.25 179.26 2yxc s VAL 28 N -3.46 5.05 0.39 0.00 1.01 -0.49 -5.05 120.40 117.84 2yxc s VAL 28 Ca 0.03 1.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.87 2yxc s VAL 28 Cb 0.09 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 2yxc s VAL 28 CO 0.48 0.38 1.22 -0.75 0.00 0.00 0.00 175.10 176.43 2yxc s LYS 29 N 0.17 4.08 0.26 2.72 2.20 -1.26 -4.90 119.74 123.01 2yxc s LYS 29 Ca 0.29 1.96 -0.02 0.00 -0.36 0.00 0.00 55.97 57.84 2yxc s LYS 29 Cb -0.17 -2.75 0.53 0.00 -1.51 0.00 0.00 37.83 33.93 2yxc s LYS 29 CO 0.14 -0.34 1.72 0.00 -0.36 0.00 0.00 175.35 176.51 2yxc n GLY 31 N -1.33 -1.12 0.19 0.00 0.00 -1.26 -1.28 105.19 100.39 2yxc n GLY 31 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2yxc n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2yxc h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.55 -3.25 116.42 118.42 2yxc h ASP 32 Ca 0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 2yxc h ASP 32 Cb 0.29 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 2yxc h ASP 32 CO 0.00 0.37 -2.06 0.00 -3.12 0.00 0.00 179.24 174.43 2yxc n HIS 34 N -4.03 4.19 -2.08 0.00 8.25 -0.40 -4.97 115.22 116.19 2yxc n HIS 34 Ca -0.40 -2.99 -0.29 0.00 -0.26 0.00 0.00 57.72 53.78 2yxc n HIS 34 Cb 0.76 -2.40 0.02 0.00 1.12 0.00 0.00 29.99 29.49 2yxc n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2yxc s HIS 35 N 2.73 3.46 0.33 4.41 -0.00 -1.23 -3.37 115.29 121.63 2yxc s HIS 35 Ca 0.47 1.03 -0.29 0.00 -0.00 0.00 0.00 55.06 56.27 2yxc s HIS 35 Cb 0.06 -2.77 -0.11 0.00 -0.00 0.00 0.00 32.58 29.76 2yxc s HIS 35 CO 0.01 -0.80 1.54 -2.14 -0.00 0.00 0.00 174.74 173.34 2yxc s PRO 36 N -5.14 4.12 -0.05 -0.38 0.02 -1.26 -1.56 135.00 130.76 2yxc s PRO 36 Ca 0.55 2.56 0.02 0.00 0.02 0.00 0.00 61.00 64.14 2yxc s PRO 36 Cb -0.11 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.43 2yxc s PRO 36 CO 0.50 -0.57 -0.07 0.08 -0.33 0.00 0.00 177.00 176.61 2yxc s VAL 37 N -0.53 0.73 -1.20 3.83 1.01 0.13 -4.76 120.40 119.61 2yxc s VAL 37 Ca 0.58 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 2yxc s VAL 37 Cb -0.47 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.23 2yxc s VAL 37 CO 0.55 0.26 0.28 0.59 0.00 0.00 0.00 175.10 176.78 2yxc n ASN 38 N 3.91 -4.03 0.00 3.32 3.02 -1.26 -1.82 115.26 118.40 2yxc n ASN 38 Ca -0.24 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2yxc n ASN 38 Cb 0.51 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 2yxc n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yxc n GLY 39 N -1.04 0.75 2.92 7.41 0.00 -1.26 -5.03 105.19 108.94 2yxc n GLY 39 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2yxc n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yxc s LYS 40 N -0.49 1.07 0.10 1.61 1.02 -0.76 -5.01 119.74 117.29 2yxc s LYS 40 Ca 0.00 -0.18 -0.35 0.00 0.02 0.00 0.00 55.97 55.45 2yxc s LYS 40 Cb 0.00 -1.02 -0.15 0.00 -0.52 0.00 0.00 37.83 36.14 2yxc s LYS 40 CO 0.00 -0.07 1.48 0.39 -0.92 0.00 0.00 175.35 176.23 2yxc n GLU 41 N 4.07 1.64 -4.04 1.68 1.02 -1.26 -0.69 120.64 123.06 2yxc n GLU 41 Ca -0.23 0.59 -0.35 0.00 -0.02 0.00 0.00 57.16 57.15 2yxc n GLU 41 Cb 0.51 -2.30 -0.14 0.00 -0.02 0.00 0.00 31.44 29.49 2yxc n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2yxc s ASP 42 N 0.89 4.44 -0.08 1.62 -1.08 -0.60 -4.86 116.67 117.00 2yxc s ASP 42 Ca 0.83 -0.33 0.16 0.00 -0.52 0.00 0.00 52.55 52.69 2yxc s ASP 42 Cb -0.82 -1.75 0.55 0.00 -1.46 0.00 0.00 42.92 39.44 2yxc s ASP 42 CO 0.43 0.02 1.47 -1.22 0.52 0.00 0.00 175.17 176.40 2yxc n TYR 43 N 4.52 1.03 -1.19 -5.34 4.01 -1.26 -4.12 117.16 114.80 2yxc n TYR 43 Ca -0.18 -0.62 -0.31 0.00 -0.16 0.00 0.00 57.90 56.63 2yxc n TYR 43 Cb 0.51 -0.17 0.11 0.00 -0.31 0.00 0.00 39.34 39.48 2yxc n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2yxc s GLN 44 N -1.72 1.96 0.44 -0.72 -0.21 -1.26 -4.97 119.66 113.18 2yxc s GLN 44 Ca 0.41 1.14 -0.25 0.00 0.02 0.00 0.00 55.36 56.69 2yxc s GLN 44 Cb 0.26 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 32.32 2yxc s GLN 44 CO 0.20 -1.85 1.22 1.63 -2.12 0.00 0.00 175.29 174.37 2yxc n LYS 45 N -3.66 1.76 0.01 2.91 5.02 -1.26 -4.87 118.16 118.08 2yxc n LYS 45 Ca 0.09 0.63 0.03 0.00 -2.02 0.00 0.00 58.31 57.04 2yxc n LYS 45 Cb 0.53 -2.33 0.41 0.00 -0.02 0.00 0.00 35.03 33.62 2yxc n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yxc n ALA 47 N -2.48 2.95 -1.49 0.00 0.00 -1.26 -1.07 120.51 117.17 2yxc n ALA 47 Ca 0.03 -1.23 -0.41 0.00 0.00 0.00 0.00 53.44 51.82 2yxc n ALA 47 Cb 0.09 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.54 2yxc n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yxc n THR 48 N 0.87 2.00 -1.64 0.00 -1.04 -0.74 -4.24 114.28 109.49 2yxc n THR 48 Ca 0.20 -0.50 -0.48 0.00 -2.04 0.00 0.00 64.05 61.24 2yxc n THR 48 Cb 0.72 -0.68 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 2yxc n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yxc n ALA 49 N -0.91 0.38 0.00 2.41 0.00 -1.26 -0.50 120.51 120.62 2yxc n ALA 49 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2yxc n ALA 49 Cb 0.40 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2yxc n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yxc n GLY 50 N 2.74 2.92 0.00 0.00 0.00 -1.26 -4.96 105.19 104.63 2yxc n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2yxc n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yxc n HIS 52 N 0.00 2.63 0.57 0.00 8.25 -0.23 -4.14 115.22 122.30 2yxc n HIS 52 Ca 0.00 -2.70 0.10 0.00 -0.26 0.00 0.00 57.72 54.87 2yxc n HIS 52 Cb 0.00 -1.59 0.14 0.00 1.12 0.00 0.00 29.99 29.66 2yxc n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2yxc n ASP 53 N 1.73 3.00 -4.59 0.41 5.75 -0.86 -4.10 116.55 117.89 2yxc n ASP 53 Ca 0.46 -1.91 -0.43 0.00 -0.01 0.00 0.00 54.79 52.90 2yxc n ASP 53 Cb 0.30 -0.11 -0.04 0.00 -1.03 0.00 0.00 41.12 40.23 2yxc n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2yxc s ASN 54 N -1.56 6.60 -0.11 -1.12 3.84 0.33 -4.91 114.94 118.00 2yxc s ASN 54 Ca 0.29 0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.92 2yxc s ASN 54 Cb 0.19 -2.44 0.60 0.00 -0.55 0.00 0.00 41.25 39.05 2yxc s ASN 54 CO 0.27 -0.85 1.47 0.23 -2.79 0.00 0.00 177.10 175.44 2yxc n MET 55 N 6.71 3.38 -2.82 0.43 2.81 -1.26 -1.72 117.12 124.65 2yxc n MET 55 Ca 0.05 -2.36 -0.42 0.00 -1.81 0.00 0.00 57.70 53.16 2yxc n MET 55 Cb 0.48 -1.84 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 2yxc n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2yxc s ASP 56 N -0.78 6.75 0.00 7.83 -1.08 -1.26 -4.92 116.67 123.21 2yxc s ASP 56 Ca 0.42 0.75 0.20 0.00 -0.52 0.00 0.00 52.55 53.40 2yxc s ASP 56 Cb 0.28 -2.46 1.17 0.00 -1.46 0.00 0.00 42.92 40.45 2yxc s ASP 56 CO 0.19 -0.76 1.62 2.29 0.52 0.00 0.00 175.17 179.03 2yxc n LYS 57 N 6.55 0.55 0.03 4.34 2.85 -1.26 -1.52 118.16 129.70 2yxc n LYS 57 Ca 0.07 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 2yxc n LYS 57 Cb 0.48 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.41 2yxc n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2yxc n LYS 58 N -1.08 0.27 -2.25 -1.58 4.76 -1.26 -4.68 118.16 112.34 2yxc n LYS 58 Ca 0.14 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 2yxc n LYS 58 Cb 0.09 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 2yxc n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2yxc s ASP 59 N -3.91 6.95 -0.02 4.39 2.15 -0.57 -4.93 116.67 120.74 2yxc s ASP 59 Ca 0.04 2.47 0.05 0.00 0.43 0.00 0.00 52.55 55.55 2yxc s ASP 59 Cb 0.14 -2.63 0.12 0.00 -0.30 0.00 0.00 42.92 40.26 2yxc s ASP 59 CO 0.79 -0.43 1.09 0.29 -0.17 0.00 0.00 175.17 176.74 2yxc n LYS 60 N 1.57 2.83 -1.77 4.34 4.76 -1.26 -4.32 118.16 124.31 2yxc n LYS 60 Ca 0.02 -1.78 -0.30 0.00 -2.87 0.00 0.00 58.31 53.38 2yxc n LYS 60 Cb 0.43 -1.14 0.18 0.00 -1.84 0.00 0.00 35.03 32.66 2yxc n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2yxc s SER 61 N -1.18 2.99 0.00 4.39 1.04 -1.26 -4.89 113.70 114.80 2yxc s SER 61 Ca 0.10 0.44 0.13 0.00 0.48 0.00 0.00 55.95 57.10 2yxc s SER 61 Cb 0.07 -0.60 0.71 0.00 0.10 0.00 0.00 66.02 66.30 2yxc s SER 61 CO 0.05 -2.83 1.29 0.00 0.98 0.00 0.00 173.24 172.73 2yxc n ALA 62 N -3.86 1.85 0.91 5.32 0.00 -1.26 -1.53 120.51 121.94 2yxc n ALA 62 Ca 0.13 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2yxc n ALA 62 Cb 0.60 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 2yxc n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yxc n LYS 63 N -1.17 1.02 -2.21 0.00 5.02 -1.26 -4.36 118.16 115.21 2yxc n LYS 63 Ca 0.08 -0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 55.46 2yxc n LYS 63 Cb 0.08 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 2yxc n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2yxc s GLY 64 N -2.54 1.13 0.01 0.72 0.00 -0.58 -0.52 107.32 105.54 2yxc s GLY 64 Ca 0.12 0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.79 2yxc s GLY 64 CO 0.65 2.92 1.40 -1.82 0.00 0.00 0.00 173.10 176.25 2yxc h TYR 65 N 10.88 -0.02 -0.52 1.90 5.03 -1.48 -2.17 116.97 130.58 2yxc h TYR 65 Ca -0.31 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.03 2yxc h TYR 65 Cb 1.13 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.38 2yxc h TYR 65 CO 0.93 0.32 0.31 -0.92 -1.32 0.00 0.00 178.16 177.48 2yxc h TYR 66 N -0.36 0.58 -0.73 -3.82 5.03 -1.86 -2.39 116.97 113.42 2yxc h TYR 66 Ca -0.00 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.44 2yxc h TYR 66 Cb 0.35 -0.19 -0.08 0.00 1.55 0.00 0.00 36.73 38.36 2yxc h TYR 66 CO 0.04 0.33 0.33 1.25 -1.32 0.00 0.00 178.16 178.79 2yxc h HIS 67 N 0.62 0.58 0.00 -3.82 2.76 -1.73 -1.35 115.15 112.22 2yxc h HIS 67 Ca 0.21 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2yxc h HIS 67 Cb 0.03 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2yxc h HIS 67 CO -0.07 0.16 -0.03 0.00 -1.30 0.00 0.00 177.93 176.69 2yxc h ALA 68 N 1.48 1.03 0.00 5.26 0.00 -0.86 -2.44 119.26 123.72 2yxc h ALA 68 Ca 0.38 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2yxc h ALA 68 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2yxc h ALA 68 CO -0.32 0.04 -2.07 -1.33 0.00 0.00 0.00 179.25 175.56 2yxc n MET 69 N -3.17 0.69 -0.01 0.00 2.81 -0.64 -4.26 117.12 112.54 2yxc n MET 69 Ca -0.01 -0.14 -0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2yxc n MET 69 Cb 0.25 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2yxc n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yxc n HIS 70 N -2.38 0.00 -3.04 2.03 -0.00 -0.60 -2.13 115.22 109.09 2yxc n HIS 70 Ca -0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.30 2yxc n HIS 70 Cb 0.72 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.99 30.59 2yxc n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2yxc s ASP 71 N -3.01 6.49 0.52 0.41 1.01 -0.93 -4.41 116.67 116.75 2yxc s ASP 71 Ca -0.01 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.23 2yxc s ASP 71 Cb 0.01 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 41.71 2yxc s ASP 71 CO 0.09 -0.32 0.74 -0.54 0.21 0.00 0.00 175.17 175.35 2yxc s LYS 72 N -3.73 2.66 -0.75 8.23 1.02 -1.26 -4.34 119.74 121.56 2yxc s LYS 72 Ca 0.48 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.70 2yxc s LYS 72 Cb -0.10 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2yxc s LYS 72 CO 0.31 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 2yxc n GLY 73 N -2.25 0.92 3.91 -3.33 0.00 -1.26 -5.01 105.19 98.17 2yxc n GLY 73 Ca 0.07 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 2yxc n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yxc s THR 74 N -2.26 5.06 0.40 2.61 -4.23 -1.26 -5.00 115.64 110.96 2yxc s THR 74 Ca 0.00 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.50 2yxc s THR 74 Cb 0.00 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 70.31 2yxc s THR 74 CO 0.00 -0.34 2.01 0.50 -0.54 0.00 0.00 174.62 176.25 2yxc h LYS 75 N 1.58 0.44 -6.61 3.99 3.64 -1.98 -3.38 116.57 114.24 2yxc h LYS 75 Ca -0.48 -0.05 -0.69 0.00 -1.27 0.00 0.00 60.65 58.16 2yxc h LYS 75 Cb 1.19 -0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.64 2yxc h LYS 75 CO 0.66 0.37 -0.88 -0.06 -2.27 0.00 0.00 179.45 177.26 2yxc s PHE 76 N -5.22 2.29 0.24 1.91 0.08 -1.26 -5.10 117.98 110.91 2yxc s PHE 76 Ca -0.07 -0.42 -0.31 0.00 0.12 0.00 0.00 56.93 56.24 2yxc s PHE 76 Cb 0.17 -1.43 -0.12 0.00 -0.57 0.00 0.00 43.02 41.06 2yxc s PHE 76 CO 0.73 0.03 1.62 1.63 -0.10 0.00 0.00 175.22 179.13 2yxc n LYS 77 N 2.18 2.60 -2.04 0.44 4.76 -1.26 -4.99 118.16 119.84 2yxc n LYS 77 Ca -0.16 0.93 -0.28 0.00 -2.87 0.00 0.00 58.31 55.93 2yxc n LYS 77 Cb 0.51 -2.72 0.10 0.00 -1.84 0.00 0.00 35.03 31.09 2yxc n LYS 77 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2yxc s SER 78 N 0.77 4.30 0.15 4.39 1.04 -1.26 -4.76 113.70 118.33 2yxc s SER 78 Ca 0.70 0.50 -0.27 0.00 0.48 0.00 0.00 55.95 57.37 2yxc s SER 78 Cb -0.54 -0.95 -0.01 0.00 0.10 0.00 0.00 66.02 64.63 2yxc s SER 78 CO 0.41 -1.98 1.58 0.00 0.98 0.00 0.00 173.24 174.24 2yxc h VAL 80 N -0.36 1.28 -0.20 0.00 2.07 -1.67 -2.08 116.25 115.30 2yxc h VAL 80 Ca 0.13 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2yxc h VAL 80 Cb 0.59 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2yxc h VAL 80 CO -0.52 0.50 0.12 1.23 0.02 0.00 0.00 177.57 178.92 2yxc h GLY 81 N 0.88 0.28 1.10 2.17 0.00 -1.63 0.19 103.07 106.07 2yxc h GLY 81 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2yxc h GLY 81 CO 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 176.54 176.64 2yxc h HIS 83 N 0.93 0.18 -0.74 0.00 3.86 -1.06 -2.13 115.15 116.19 2yxc h HIS 83 Ca 0.15 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2yxc h HIS 83 Cb 0.67 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 2yxc h HIS 83 CO 0.05 0.33 0.28 -0.07 0.86 0.00 0.00 177.93 179.37 2yxc h LEU 84 N 0.17 1.04 -0.74 2.43 3.38 -0.76 -0.53 115.31 120.30 2yxc h LEU 84 Ca 0.03 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 2yxc h LEU 84 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2yxc h LEU 84 CO 0.02 0.95 -0.25 -0.33 0.09 0.00 0.00 178.44 178.92 2yxc h GLU 85 N 1.08 0.69 -0.43 1.13 4.39 -1.33 -2.05 114.58 118.06 2yxc h GLU 85 Ca 0.24 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2yxc h GLU 85 Cb 0.24 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2yxc h GLU 85 CO -0.02 0.87 0.02 1.15 -1.16 0.00 0.00 179.01 179.88 2yxc h THR 86 N 0.60 1.26 -0.08 1.13 2.02 -1.08 -3.19 112.91 113.57 2yxc h THR 86 Ca 0.08 -0.99 -0.15 0.00 0.77 0.00 0.00 66.41 66.12 2yxc h THR 86 Cb 0.74 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2yxc h THR 86 CO 0.06 0.34 -0.60 0.00 0.37 0.00 0.00 175.52 175.69 2yxc h ALA 87 N 0.91 0.84 -0.97 6.16 0.00 -0.98 -3.48 119.26 121.74 2yxc h ALA 87 Ca 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2yxc h ALA 87 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2yxc h ALA 87 CO 0.02 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2yxc n GLY 88 N 0.26 3.55 0.71 0.00 0.00 -0.78 -1.30 105.19 107.63 2yxc n GLY 88 Ca -0.02 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.98 2yxc n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yxc n ALA 89 N 11.66 2.49 -2.49 4.61 0.00 -1.26 -4.84 120.51 130.68 2yxc n ALA 89 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 2yxc n ALA 89 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 2yxc n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2yxc s ASP 90 N -1.49 6.22 0.34 0.00 3.68 -0.42 -4.88 116.67 120.12 2yxc s ASP 90 Ca 0.33 0.03 0.07 0.00 2.13 0.00 0.00 52.55 55.11 2yxc s ASP 90 Cb 0.18 -2.55 0.60 0.00 -1.45 0.00 0.00 42.92 39.71 2yxc s ASP 90 CO 0.27 -1.69 1.81 0.00 0.13 0.00 0.00 175.17 175.69 2yxc h ALA 91 N 10.39 1.30 -0.40 3.66 0.00 -1.88 -0.28 119.26 132.05 2yxc h ALA 91 Ca -0.26 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2yxc h ALA 91 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2yxc h ALA 91 CO 1.21 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 180.92 2yxc h ALA 92 N 1.50 0.54 -0.08 0.00 0.00 -1.96 -1.08 119.26 118.18 2yxc h ALA 92 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2yxc h ALA 92 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2yxc h ALA 92 CO 0.04 0.33 -0.37 0.87 0.00 0.00 0.00 179.25 180.11 2yxc h LYS 93 N 0.54 0.16 -0.57 0.00 1.79 -1.80 -1.68 116.57 115.01 2yxc h LYS 93 Ca 0.11 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2yxc h LYS 93 Cb 0.49 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 2yxc h LYS 93 CO 0.02 0.51 0.28 0.87 -1.08 0.00 0.00 179.45 180.06 2yxc h LYS 94 N 0.14 0.81 -0.09 3.15 1.57 -0.69 0.10 116.57 121.56 2yxc h LYS 94 Ca 0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2yxc h LYS 94 Cb 0.72 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2yxc h LYS 94 CO 0.05 0.65 0.04 -0.22 -0.57 0.00 0.00 179.45 179.40 2yxc h LYS 95 N 0.76 0.14 -0.70 3.15 1.63 -0.89 0.23 116.57 120.89 2yxc h LYS 95 Ca 0.20 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.95 2yxc h LYS 95 Cb 0.09 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2yxc h LYS 95 CO -0.03 0.26 0.36 0.93 -3.45 0.00 0.00 179.45 177.52 2yxc h GLU 96 N -0.01 1.00 0.00 1.90 5.08 -1.11 -2.57 114.58 118.87 2yxc h GLU 96 Ca 0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2yxc h GLU 96 Cb 0.17 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2yxc h GLU 96 CO -0.00 0.77 -1.62 1.28 -1.00 0.00 0.00 179.01 178.43 2yxc n LEU 97 N -4.46 0.06 0.00 1.33 4.77 0.34 -0.73 117.00 118.30 2yxc n LEU 97 Ca 0.06 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2yxc n LEU 97 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2yxc n LEU 97 CO 0.38 0.01 0.09 0.35 -1.33 0.00 0.00 177.39 176.90 2yxc n THR 98 N -1.98 0.00 -2.01 -5.08 -2.24 0.72 -4.85 114.28 98.85 2yxc n THR 98 Ca -0.02 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 2yxc n THR 98 Cb 0.39 1.37 0.01 0.00 -2.10 0.00 0.00 70.33 70.00 2yxc n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yxc s GLY 99 N -0.13 2.86 0.36 3.38 0.00 -0.74 -4.93 107.32 108.12 2yxc s GLY 99 Ca 0.00 1.18 0.19 0.00 0.00 0.00 0.00 44.72 46.09 2yxc s GLY 99 CO 0.00 1.69 1.55 0.00 0.00 0.00 0.00 173.10 176.34 2yxc s LYS 101 N -3.12 0.70 -1.55 0.00 -2.85 -1.26 -4.74 119.74 106.92 2yxc s LYS 101 Ca 0.05 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2yxc s LYS 101 Cb 0.07 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2yxc s LYS 101 CO 0.70 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.38 2yxc n GLY 102 N 0.21 0.80 3.90 0.59 0.00 -0.44 -4.96 105.19 105.29 2yxc n GLY 102 Ca -0.16 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2yxc n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yxc s SER 103 N -2.60 4.61 0.30 1.61 1.04 0.26 -4.73 113.70 114.19 2yxc s SER 103 Ca 0.00 -1.26 0.25 0.00 0.48 0.00 0.00 55.95 55.42 2yxc s SER 103 Cb 0.00 0.41 1.01 0.00 0.10 0.00 0.00 66.02 67.54 2yxc s SER 103 CO 0.00 -1.09 1.76 0.11 0.98 0.00 0.00 173.24 175.00 2yxc h LYS 104 N 0.78 0.00 0.00 4.02 1.79 -1.18 -3.25 116.57 118.73 2yxc h LYS 104 Ca -0.37 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.82 2yxc h LYS 104 Cb 1.30 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.91 2yxc h LYS 104 CO 0.58 0.00 -1.56 0.00 -1.08 0.00 0.00 179.45 177.39 2yxc s HIS 106 N -2.40 2.67 -2.00 0.00 3.76 -1.23 -4.65 115.29 111.44 2yxc s HIS 106 Ca -0.31 -1.21 0.13 0.00 -0.15 0.00 0.00 55.06 53.52 2yxc s HIS 106 Cb 0.08 -1.81 0.80 0.00 1.11 0.00 0.00 32.58 32.76 2yxc s HIS 106 CO 0.54 -0.54 1.22 -1.13 -0.85 0.00 0.00 174.74 173.99