#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osg s ILE 2 N 0.00 1.31 0.05 2.02 -1.16 -1.26 -5.15 121.20 117.02 2osg s ILE 2 Ca 0.00 -0.87 0.00 0.00 -0.51 0.00 0.00 60.65 59.28 2osg s ILE 2 Cb 0.00 -1.12 -0.03 0.00 0.61 0.00 0.00 42.46 41.91 2osg s ILE 2 CO 0.00 0.24 -0.04 -0.83 -2.81 0.00 0.00 174.94 171.50 2osg s GLY 3 N -0.72 0.50 -0.04 1.50 0.00 -1.26 -5.16 107.32 102.14 2osg s GLY 3 Ca 0.05 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.74 2osg s GLY 3 CO 0.00 -1.16 -0.13 0.14 0.00 0.00 0.00 173.10 171.96 2osg s VAL 4 N -3.05 1.11 -0.41 1.40 1.01 -1.26 -5.11 120.40 114.09 2osg s VAL 4 Ca 0.01 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 2osg s VAL 4 Cb 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.47 2osg s VAL 4 CO -0.06 0.33 0.26 -0.22 0.00 0.00 0.00 175.10 175.41 2osg s LEU 5 N 0.24 5.03 -0.05 3.92 0.20 -1.26 -5.07 118.68 121.69 2osg s LEU 5 Ca -0.06 -1.25 -0.14 0.00 0.69 0.00 0.00 54.13 53.37 2osg s LEU 5 Cb -0.11 -2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 43.56 2osg s LEU 5 CO 0.02 -0.49 0.36 -0.22 -0.29 0.00 0.00 176.35 175.73 2osg s LEU 6 N 1.52 4.41 0.32 -0.68 2.96 -1.26 -5.09 118.68 120.85 2osg s LEU 6 Ca 0.03 0.81 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 2osg s LEU 6 Cb -0.21 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 2osg s LEU 6 CO 0.05 0.27 0.06 -0.32 -1.32 0.00 0.00 176.35 175.09 2osg s MET 7 N -0.66 2.24 -0.08 1.98 -2.45 -1.26 -5.12 119.30 113.95 2osg s MET 7 Ca 0.22 -1.60 -0.18 0.00 -1.25 0.00 0.00 55.69 52.89 2osg s MET 7 Cb -0.15 -2.08 -0.05 0.00 1.25 0.00 0.00 34.83 33.80 2osg s MET 7 CO 0.10 0.18 0.47 0.21 1.05 0.00 0.00 175.02 177.03 2osg s LYS 8 N -3.76 4.25 0.18 4.11 2.20 -1.26 -5.09 119.74 120.37 2osg s LYS 8 Ca 0.35 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.39 2osg s LYS 8 Cb -0.02 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2osg s LYS 8 CO 0.21 0.31 0.19 0.45 -0.36 0.00 0.00 175.35 176.14 2osg n SER 9 N 3.14 -0.75 -3.64 1.43 2.88 -1.26 -4.85 113.62 110.57 2osg n SER 9 Ca -0.09 -0.77 -0.42 0.00 -1.33 0.00 0.00 58.87 56.26 2osg n SER 9 Cb 0.52 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.79 2osg n SER 9 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2osg n ARG 10 N -1.82 2.16 -3.19 -1.46 1.74 -1.26 -4.69 116.66 108.14 2osg n ARG 10 Ca 0.02 -2.15 0.04 0.00 -0.77 0.00 0.00 57.85 55.00 2osg n ARG 10 Cb 0.09 -3.05 -0.02 0.00 -1.02 0.00 0.00 32.46 28.47 2osg n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2osg s ALA 11 N 4.09 -2.88 -0.96 7.54 0.00 -1.26 -5.09 121.76 123.21 2osg s ALA 11 Ca 0.53 1.68 -0.25 0.00 0.00 0.00 0.00 51.96 53.91 2osg s ALA 11 Cb 0.14 -2.31 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 2osg s ALA 11 CO 0.02 -1.35 2.12 -0.80 0.00 0.00 0.00 175.76 175.75 2osg s ASN 12 N 2.87 4.38 0.19 0.00 -0.87 -1.26 -4.81 114.94 115.44 2osg s ASN 12 Ca 0.07 -0.69 -0.23 0.00 -1.57 0.00 0.00 52.86 50.44 2osg s ASN 12 Cb -0.12 -2.57 0.05 0.00 -0.02 0.00 0.00 41.25 38.60 2osg s ASN 12 CO -0.16 -3.57 0.68 -0.70 -2.57 0.00 0.00 177.10 170.78 2osg s GLU 13 N 7.79 1.44 0.92 -0.60 2.12 -1.26 -5.17 118.70 123.93 2osg s GLU 13 Ca 0.79 -0.67 -0.12 0.00 0.36 0.00 0.00 54.97 55.33 2osg s GLU 13 Cb -0.07 0.57 0.14 0.00 0.26 0.00 0.00 34.13 35.03 2osg s GLU 13 CO 0.08 -0.64 1.10 -1.83 -0.54 0.00 0.00 175.26 173.43 2osg s GLU 14 N -3.75 1.10 0.42 4.30 -1.05 -1.26 -4.95 118.70 113.52 2osg s GLU 14 Ca 0.06 0.58 0.18 0.00 -0.15 0.00 0.00 54.97 55.64 2osg s GLU 14 Cb -0.03 -1.81 0.96 0.00 -0.44 0.00 0.00 34.13 32.81 2osg s GLU 14 CO -0.04 -2.29 1.90 1.88 0.95 0.00 0.00 175.26 177.66 2osg h TYR 15 N -1.57 0.00 -0.27 4.83 -1.99 -1.99 -3.47 116.97 112.51 2osg h TYR 15 Ca -0.51 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.15 2osg h TYR 15 Cb 1.31 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.02 2osg h TYR 15 CO 0.36 0.28 -0.07 0.41 -0.00 0.00 0.00 178.16 179.13 2osg n GLY 16 N -0.45 0.51 3.60 3.88 0.00 -1.26 -5.02 105.19 106.45 2osg n GLY 16 Ca -0.02 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 2osg n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2osg s LEU 17 N -0.86 4.03 -0.37 0.99 2.96 -1.26 -5.06 118.68 119.11 2osg s LEU 17 Ca 0.00 0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 53.82 2osg s LEU 17 Cb 0.00 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.48 2osg s LEU 17 CO 0.00 -0.08 0.43 -0.60 -1.32 0.00 0.00 176.35 174.78 2osg s ARG 18 N 1.82 3.42 -0.24 1.98 3.52 -1.26 -5.05 118.95 123.14 2osg s ARG 18 Ca 0.09 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 2osg s ARG 18 Cb -0.16 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.32 2osg s ARG 18 CO 0.10 -0.67 0.20 -0.51 -0.81 0.00 0.00 175.30 173.61 2osg s LEU 19 N 2.18 4.12 0.00 -0.88 1.02 -1.26 -5.08 118.68 118.77 2osg s LEU 19 Ca 0.14 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.46 2osg s LEU 19 Cb -0.16 -2.17 0.00 0.00 0.02 0.00 0.00 46.19 43.88 2osg s LEU 19 CO 0.13 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.15 2osg n GLY 20 N 4.26 3.07 3.16 -3.19 0.00 -1.26 -5.16 105.19 106.07 2osg n GLY 20 Ca -0.14 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 2osg n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2osg s SER 21 N -0.93 0.01 -0.01 1.61 1.04 -1.26 -5.03 113.70 109.13 2osg s SER 21 Ca 0.00 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2osg s SER 21 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2osg s SER 21 CO 0.00 -0.49 -0.04 0.00 0.98 0.00 0.00 173.24 173.70 2osg s GLN 22 N -2.05 0.42 -0.24 4.02 -2.07 -1.23 0.13 119.66 118.63 2osg s GLN 22 Ca -0.09 -0.12 -0.22 0.00 -1.82 0.00 0.00 55.36 53.11 2osg s GLN 22 Cb -0.04 -0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 31.43 2osg s GLN 22 CO -0.01 0.04 0.70 0.42 -1.32 0.00 0.00 175.29 175.12 2osg s ILE 23 N 0.18 4.94 0.43 3.63 1.01 0.13 -4.93 121.20 126.59 2osg s ILE 23 Ca -0.02 1.28 0.05 0.00 0.00 0.00 0.00 60.65 61.97 2osg s ILE 23 Cb -0.05 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 2osg s ILE 23 CO -0.00 0.00 0.02 0.72 0.00 0.00 0.00 174.94 175.68 2osg s PHE 24 N 2.55 2.29 -0.87 3.97 -0.71 -1.26 -0.54 117.98 123.40 2osg s PHE 24 Ca 0.29 -0.78 -0.24 0.00 -1.04 0.00 0.00 56.93 55.16 2osg s PHE 24 Cb -0.15 -1.68 0.06 0.00 -1.21 0.00 0.00 43.02 40.03 2osg s PHE 24 CO 0.08 0.34 1.29 0.08 -1.34 0.00 0.00 175.22 175.67 2osg s VAL 25 N -2.82 4.01 0.05 -2.49 1.01 -1.09 -4.87 120.40 114.20 2osg s VAL 25 Ca 0.27 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 2osg s VAL 25 Cb 0.08 -4.93 -0.17 0.00 0.00 0.00 0.00 36.38 31.35 2osg s VAL 25 CO 0.14 -1.80 1.55 0.50 0.00 0.00 0.00 175.10 175.49 2osg h LYS 26 N 9.73 -0.27 -2.45 2.72 1.63 -1.92 0.78 116.57 126.79 2osg h LYS 26 Ca -0.02 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 2osg h LYS 26 Cb 1.03 0.06 -0.21 0.00 -0.60 0.00 0.00 32.23 32.51 2osg h LYS 26 CO 1.31 -0.07 -0.06 -2.00 -3.45 0.00 0.00 179.45 175.18 2osg s GLU 27 N -5.59 0.73 0.03 1.90 2.12 -1.26 -4.63 118.70 112.00 2osg s GLU 27 Ca -0.15 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.69 2osg s GLU 27 Cb 0.04 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2osg s GLU 27 CO 0.63 -0.15 -0.11 0.00 -0.54 0.00 0.00 175.26 175.09 2osg s MET 28 N -0.34 0.77 -0.06 4.30 0.23 -1.26 -5.11 119.30 117.84 2osg s MET 28 Ca -0.05 -0.65 -0.30 0.00 -1.03 0.00 0.00 55.69 53.66 2osg s MET 28 Cb -0.03 -0.72 -0.05 0.00 -1.53 0.00 0.00 34.83 32.49 2osg s MET 28 CO 0.03 0.18 1.66 0.95 -2.03 0.00 0.00 175.02 175.81 2osg s THR 29 N -0.82 3.58 0.77 3.16 -4.23 -1.26 -4.96 115.64 111.88 2osg s THR 29 Ca -0.01 0.70 -0.15 0.00 -1.18 0.00 0.00 61.69 61.06 2osg s THR 29 Cb -0.07 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.35 2osg s THR 29 CO 0.01 -0.07 0.98 -2.11 -0.54 0.00 0.00 174.62 172.89 2osg n ARG 30 N 7.14 0.30 -2.36 3.99 0.00 -1.26 -2.84 116.66 121.64 2osg n ARG 30 Ca 0.17 0.17 -0.17 0.00 -0.00 0.00 0.00 57.85 58.02 2osg n ARG 30 Cb 0.43 -2.24 -0.01 0.00 -0.00 0.00 0.00 32.46 30.64 2osg n ARG 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2osg n THR 31 N -2.89 -0.86 -3.23 8.89 -1.04 -1.26 -5.00 114.28 108.89 2osg n THR 31 Ca 0.12 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.06 2osg n THR 31 Cb 0.50 -2.57 0.01 0.00 -1.82 0.00 0.00 70.33 66.45 2osg n THR 31 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2osg n GLY 32 N -1.04 2.30 0.21 3.41 0.00 -1.13 -4.90 105.19 104.04 2osg n GLY 32 Ca -0.20 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.64 2osg n GLY 32 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2osg h LEU 33 N 0.00 0.24 -0.29 0.99 4.07 -1.95 0.11 115.31 118.48 2osg h LEU 33 Ca -0.10 -0.08 -0.20 0.00 0.08 0.00 0.00 57.88 57.58 2osg h LEU 33 Cb 0.41 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 2osg h LEU 33 CO 0.14 0.55 -0.81 0.00 -1.08 0.00 0.00 178.44 177.25 2osg h ALA 34 N 1.46 0.48 0.08 1.53 0.00 -1.95 -3.18 119.26 117.68 2osg h ALA 34 Ca 0.03 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 2osg h ALA 34 Cb 0.67 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2osg h ALA 34 CO 0.05 0.77 -1.13 1.15 0.00 0.00 0.00 179.25 180.10 2osg h THR 35 N 0.29 1.52 -1.00 0.00 2.02 -1.83 0.34 112.91 114.25 2osg h THR 35 Ca -0.05 -2.99 0.06 0.00 0.77 0.00 0.00 66.41 64.20 2osg h THR 35 Cb 1.42 2.81 -0.07 0.00 -1.74 0.00 0.00 68.15 70.57 2osg h THR 35 CO 0.14 0.87 0.65 0.11 0.37 0.00 0.00 175.52 177.66 2osg h LYS 36 N 0.09 1.16 0.00 6.66 6.56 -0.82 -3.21 116.57 127.00 2osg h LYS 36 Ca -0.10 -0.07 -0.31 0.00 -1.06 0.00 0.00 60.65 59.11 2osg h LYS 36 Cb 1.84 -0.26 -0.06 0.00 -0.57 0.00 0.00 32.23 33.18 2osg h LYS 36 CO 0.18 0.76 -2.19 -3.47 -2.06 0.00 0.00 179.45 172.68 2osg n ASP 37 N -4.49 1.40 -1.52 0.86 -0.08 -1.20 -5.05 116.55 106.47 2osg n ASP 37 Ca 0.15 -0.04 -0.01 0.00 -1.51 0.00 0.00 54.79 53.37 2osg n ASP 37 Cb 0.17 0.44 0.01 0.00 2.34 0.00 0.00 41.12 44.08 2osg n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2osg n GLY 38 N 2.15 0.61 0.11 0.27 0.00 0.12 -5.03 105.19 103.42 2osg n GLY 38 Ca -0.32 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 2osg n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2osg n ASN 39 N -1.51 1.88 -4.47 1.61 0.23 -1.16 -4.87 115.26 106.98 2osg n ASN 39 Ca -0.01 0.43 -0.39 0.00 -0.53 0.00 0.00 54.58 54.08 2osg n ASN 39 Cb 0.51 -0.89 -0.11 0.00 -2.08 0.00 0.00 39.78 37.21 2osg n ASN 39 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2osg s LEU 40 N -7.85 4.11 0.05 -4.53 1.02 -1.26 -5.06 118.68 105.16 2osg s LEU 40 Ca -0.29 -0.43 -0.20 0.00 0.02 0.00 0.00 54.13 53.23 2osg s LEU 40 Cb 0.07 -2.03 -0.06 0.00 0.02 0.00 0.00 46.19 44.19 2osg s LEU 40 CO 0.48 -0.17 0.60 -2.28 0.02 0.00 0.00 176.35 175.00 2osg s HIS 41 N 1.65 3.77 -0.30 0.29 2.46 -1.26 -4.91 115.29 116.99 2osg s HIS 41 Ca 0.05 1.29 -0.33 0.00 0.47 0.00 0.00 55.06 56.54 2osg s HIS 41 Cb -0.17 -2.57 -0.09 0.00 -0.13 0.00 0.00 32.58 29.62 2osg s HIS 41 CO 0.07 0.49 2.20 0.39 -2.47 0.00 0.00 174.74 175.42 2osg n GLU 42 N 2.09 1.41 0.00 2.88 1.02 -1.26 0.15 120.64 126.93 2osg n GLU 42 Ca -0.08 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2osg n GLU 42 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 2osg n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2osg n GLY 43 N 6.25 0.82 3.76 0.62 0.00 0.27 -4.95 105.19 111.96 2osg n GLY 43 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 2osg n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2osg s ASP 44 N -2.00 6.70 -0.44 1.61 -1.08 0.12 -4.65 116.67 116.93 2osg s ASP 44 Ca 0.00 2.69 -0.29 0.00 -0.52 0.00 0.00 52.55 54.43 2osg s ASP 44 Cb 0.00 -2.64 0.02 0.00 -1.46 0.00 0.00 42.92 38.85 2osg s ASP 44 CO 0.00 -0.63 1.21 0.27 0.52 0.00 0.00 175.17 176.55 2osg s ILE 45 N -0.57 4.14 0.12 4.11 -4.36 -1.26 -2.66 121.20 120.71 2osg s ILE 45 Ca 0.54 1.19 -0.30 0.00 -0.26 0.00 0.00 60.65 61.82 2osg s ILE 45 Cb -0.41 -4.46 -0.06 0.00 1.25 0.00 0.00 42.46 38.78 2osg s ILE 45 CO 0.49 -0.88 1.04 -0.63 0.24 0.00 0.00 174.94 175.20 2osg s ILE 46 N 4.65 4.27 -0.18 8.37 1.01 0.29 -3.18 121.20 136.43 2osg s ILE 46 Ca 0.52 1.84 -0.15 0.00 0.00 0.00 0.00 60.65 62.86 2osg s ILE 46 Cb -0.10 -4.18 -0.21 0.00 0.01 0.00 0.00 42.46 37.99 2osg s ILE 46 CO 0.30 0.26 0.21 -0.11 0.00 0.00 0.00 174.94 175.60 2osg n LEU 47 N 2.91 2.18 -3.64 2.97 7.94 0.16 -4.24 117.00 125.28 2osg n LEU 47 Ca 0.04 0.32 -0.14 0.00 -1.11 0.00 0.00 56.01 55.12 2osg n LEU 47 Cb 0.48 -1.01 -0.07 0.00 0.53 0.00 0.00 43.42 43.35 2osg n LEU 47 CO 0.53 0.53 0.20 -0.54 -1.11 0.00 0.00 177.39 176.99 2osg s LYS 48 N -2.45 0.90 -0.08 1.96 1.02 -0.85 -2.13 119.74 118.10 2osg s LYS 48 Ca -0.28 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 2osg s LYS 48 Cb 0.07 0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.82 2osg s LYS 48 CO 0.65 -0.29 0.03 0.42 -0.92 0.00 0.00 175.35 175.24 2osg s ILE 49 N -1.83 0.19 -1.52 2.17 1.01 0.18 -0.97 121.20 120.42 2osg s ILE 49 Ca -0.09 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 2osg s ILE 49 Cb -0.02 -0.45 0.08 0.00 0.01 0.00 0.00 42.46 42.08 2osg s ILE 49 CO 0.03 0.14 0.97 0.59 0.00 0.00 0.00 174.94 176.66 2osg n ASN 50 N 5.20 -4.92 -0.09 3.58 4.13 0.71 -0.73 115.26 123.13 2osg n ASN 50 Ca -0.06 -0.74 -0.01 0.00 1.68 0.00 0.00 54.58 55.45 2osg n ASN 50 Cb 0.50 -3.93 -0.01 0.00 -1.54 0.00 0.00 39.78 34.80 2osg n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2osg n GLY 51 N -1.68 0.51 3.29 7.41 0.00 -1.26 -5.01 105.19 108.44 2osg n GLY 51 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 2osg n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osg s THR 52 N -1.98 2.06 0.49 2.61 2.01 0.09 -5.11 115.64 115.81 2osg s THR 52 Ca 0.00 -1.08 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 2osg s THR 52 Cb 0.00 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.72 2osg s THR 52 CO 0.00 0.58 1.40 -0.69 -0.69 0.00 0.00 174.62 175.21 2osg s VAL 53 N -0.38 2.07 -0.11 3.82 1.01 -1.26 0.47 120.40 126.02 2osg s VAL 53 Ca 0.03 0.06 0.15 0.00 0.00 0.00 0.00 61.98 62.22 2osg s VAL 53 Cb -0.12 -3.03 0.34 0.00 0.00 0.00 0.00 36.38 33.57 2osg s VAL 53 CO 0.01 0.00 1.16 0.41 0.00 0.00 0.00 175.10 176.69 2osg n THR 54 N -0.55 1.22 0.00 3.92 -1.04 -0.91 -4.74 114.28 112.19 2osg n THR 54 Ca 0.07 -1.98 0.00 0.00 -2.04 0.00 0.00 64.05 60.10 2osg n THR 54 Cb 0.43 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2osg n THR 54 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2osg n GLU 55 N -0.57 0.00 0.00 -2.82 2.13 -1.26 0.22 120.64 118.34 2osg n GLU 55 Ca 0.12 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.97 2osg n GLU 55 Cb 0.81 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.66 2osg n GLU 55 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2osg n ASN 56 N 0.00 0.00 -4.27 4.31 0.23 0.12 -3.22 115.26 112.43 2osg n ASN 56 Ca 0.00 0.19 -0.34 0.00 -0.53 0.00 0.00 54.58 53.90 2osg n ASN 56 Cb 0.00 -0.27 0.12 0.00 -2.08 0.00 0.00 39.78 37.55 2osg n ASN 56 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 2osg n MET 57 N -1.27 -0.65 -2.42 -3.83 1.56 -1.26 -4.85 117.12 104.40 2osg n MET 57 Ca 0.03 -0.17 -0.36 0.00 -0.27 0.00 0.00 57.70 56.93 2osg n MET 57 Cb 0.04 -1.60 -0.02 0.00 2.15 0.00 0.00 33.22 33.79 2osg n MET 57 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2osg s SER 58 N -1.72 6.37 0.05 6.12 1.04 -1.26 -4.95 113.70 119.36 2osg s SER 58 Ca 0.52 2.13 -0.25 0.00 0.48 0.00 0.00 55.95 58.82 2osg s SER 58 Cb -0.15 -2.59 -0.17 0.00 0.10 0.00 0.00 66.02 63.22 2osg s SER 58 CO 0.69 -0.77 1.56 -0.07 0.98 0.00 0.00 173.24 175.63 2osg h LEU 59 N 2.04 -0.15 -1.14 2.42 4.07 -1.96 -1.95 115.31 118.64 2osg h LEU 59 Ca -0.49 -0.12 0.06 0.00 0.08 0.00 0.00 57.88 57.41 2osg h LEU 59 Cb 1.23 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.95 2osg h LEU 59 CO 0.60 0.03 0.59 0.00 -1.08 0.00 0.00 178.44 178.58 2osg h THR 60 N -0.33 1.08 -0.16 0.22 1.03 -1.99 -1.48 112.91 111.29 2osg h THR 60 Ca -0.02 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 66.01 2osg h THR 60 Cb 0.26 -0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.27 2osg h THR 60 CO 0.03 0.19 0.05 -0.78 -0.01 0.00 0.00 175.52 175.00 2osg h ASP 61 N 1.05 0.24 -0.82 0.00 1.82 -1.92 0.97 116.42 117.76 2osg h ASP 61 Ca 0.39 -0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 2osg h ASP 61 Cb 0.17 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.07 2osg h ASP 61 CO -0.14 0.39 0.53 0.00 -1.61 0.00 0.00 179.24 178.40 2osg h ALA 62 N 0.86 1.07 -0.33 -0.78 0.00 -0.86 0.16 119.26 119.39 2osg h ALA 62 Ca 0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2osg h ALA 62 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2osg h ALA 62 CO -0.00 0.36 -0.39 0.00 0.00 0.00 0.00 179.25 179.22 2osg h ARG 63 N 1.03 0.79 -0.45 0.00 3.08 -1.13 -2.79 114.38 114.89 2osg h ARG 63 Ca 0.32 -0.41 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 2osg h ARG 63 Cb -0.00 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2osg h ARG 63 CO -0.11 1.04 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.44 2osg h LYS 64 N 0.64 0.88 -0.61 0.04 1.63 -0.19 -1.77 116.57 117.19 2osg h LYS 64 Ca 0.05 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2osg h LYS 64 Cb 0.95 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.50 2osg h LYS 64 CO 0.09 0.98 0.38 1.25 -3.45 0.00 0.00 179.45 178.70 2osg h LEU 65 N 0.77 0.72 -0.67 5.20 5.85 -0.60 0.26 115.31 126.84 2osg h LEU 65 Ca 0.11 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2osg h LEU 65 Cb 0.70 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2osg h LEU 65 CO 0.05 0.55 -0.27 0.40 -0.34 0.00 0.00 178.44 178.83 2osg h ILE 66 N 0.83 1.28 -0.01 4.05 2.04 -1.37 -0.09 117.51 124.24 2osg h ILE 66 Ca 0.22 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2osg h ILE 66 Cb -0.05 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2osg h ILE 66 CO -0.04 0.46 -0.00 -0.08 0.00 0.00 0.00 178.15 178.48 2osg h GLU 67 N 0.63 0.03 0.00 2.37 4.57 -0.87 -3.02 114.58 118.28 2osg h GLU 67 Ca 0.08 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2osg h GLU 67 Cb 0.79 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2osg h GLU 67 CO 0.06 0.42 -0.14 0.87 -1.18 0.00 0.00 179.01 179.04 2osg h LYS 68 N -0.37 0.00 -3.11 1.92 1.57 -0.49 -3.30 116.57 112.79 2osg h LYS 68 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 2osg h LYS 68 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2osg h LYS 68 CO 0.00 0.14 3.43 0.45 -0.57 0.00 0.00 179.45 182.90 2osg n SER 69 N -3.42 7.76 -4.65 0.86 2.88 -0.05 -4.93 113.62 112.08 2osg n SER 69 Ca -0.01 -2.73 -0.43 0.00 -1.33 0.00 0.00 58.87 54.37 2osg n SER 69 Cb 0.32 -1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 62.23 2osg n SER 69 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2osg s ARG 70 N 1.68 4.18 0.00 -1.46 1.81 -1.25 -4.49 118.95 119.42 2osg s ARG 70 Ca 0.62 1.33 0.00 0.00 -1.72 0.00 0.00 55.73 55.96 2osg s ARG 70 Cb 0.17 -3.70 0.00 0.00 -0.45 0.00 0.00 34.95 30.97 2osg s ARG 70 CO -0.07 -0.74 0.00 0.41 -0.68 0.00 0.00 175.30 174.22 2osg n GLY 71 N 3.57 1.41 3.29 -3.53 0.00 -1.26 -5.02 105.19 103.64 2osg n GLY 71 Ca 0.12 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2osg n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2osg s LYS 72 N 0.00 3.02 0.03 1.61 2.20 -1.26 -5.13 119.74 120.21 2osg s LYS 72 Ca 0.00 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.84 2osg s LYS 72 Cb 0.00 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.93 2osg s LYS 72 CO 0.00 0.25 -0.16 -0.48 -0.36 0.00 0.00 175.35 174.60 2osg s LEU 73 N 0.18 2.14 -0.18 5.43 2.34 -1.26 -5.02 118.68 122.31 2osg s LEU 73 Ca -0.12 -0.44 -0.05 0.00 0.06 0.00 0.00 54.13 53.58 2osg s LEU 73 Cb -0.16 -0.75 -0.03 0.00 -0.56 0.00 0.00 46.19 44.69 2osg s LEU 73 CO 0.07 0.10 0.01 0.00 -1.06 0.00 0.00 176.35 175.46 2osg s GLN 74 N -0.98 3.76 -0.09 1.48 0.00 -1.26 -4.96 119.66 117.61 2osg s GLN 74 Ca 0.04 -0.46 0.02 0.00 -0.00 0.00 0.00 55.36 54.96 2osg s GLN 74 Cb -0.08 -3.06 0.01 0.00 0.00 0.00 0.00 33.01 29.88 2osg s GLN 74 CO 0.01 0.19 -0.16 -0.51 0.00 0.00 0.00 175.29 174.82 2osg s LEU 75 N 0.54 1.77 -0.18 2.60 1.43 -1.26 -0.21 118.68 123.37 2osg s LEU 75 Ca -0.00 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2osg s LEU 75 Cb -0.14 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.06 2osg s LEU 75 CO 0.02 0.06 -0.20 0.68 0.23 0.00 0.00 176.35 177.14 2osg s VAL 76 N 0.69 2.05 0.21 -1.59 -7.23 -0.14 -5.00 120.40 109.38 2osg s VAL 76 Ca -0.13 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2osg s VAL 76 Cb -0.16 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2osg s VAL 76 CO 0.03 0.54 0.06 0.68 -0.31 0.00 0.00 175.10 176.10 2osg s VAL 77 N 1.28 3.94 -0.18 1.32 -7.23 -1.26 0.41 120.40 118.68 2osg s VAL 77 Ca 0.05 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2osg s VAL 77 Cb -0.13 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 2osg s VAL 77 CO -0.13 -0.21 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.18 2osg s LEU 78 N -3.29 2.99 0.00 1.32 0.20 -1.19 -4.84 118.68 113.87 2osg s LEU 78 Ca 0.30 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.86 2osg s LEU 78 Cb -0.09 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2osg s LEU 78 CO 0.21 0.08 0.25 -1.14 -0.29 0.00 0.00 176.35 175.46 2osg n ARG 79 N 4.13 0.36 -2.36 1.98 0.63 -1.26 -4.76 116.66 115.38 2osg n ARG 79 Ca -0.18 -2.04 -0.01 0.00 -0.92 0.00 0.00 57.85 54.70 2osg n ARG 79 Cb 0.52 1.80 -0.01 0.00 0.45 0.00 0.00 32.46 35.21 2osg n ARG 79 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2osg n ASP 80 N -1.98 -4.70 -1.93 6.15 8.00 -1.26 -4.91 116.55 115.91 2osg n ASP 80 Ca 0.03 1.04 -0.17 0.00 0.71 0.00 0.00 54.79 56.40 2osg n ASP 80 Cb 0.39 -4.18 0.15 0.00 -0.02 0.00 0.00 41.12 37.46 2osg n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2osg n SER 81 N 0.74 3.65 0.15 -2.24 3.41 -1.26 -4.57 113.62 113.49 2osg n SER 81 Ca -0.10 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 2osg n SER 81 Cb 0.15 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 2osg n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2osg n LEU 82 N -0.70 -2.55 0.00 1.04 4.77 -1.26 -5.37 117.00 112.92 2osg n LEU 82 Ca 0.45 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2osg n LEU 82 Cb 1.39 2.56 0.00 0.00 -2.33 0.00 0.00 43.42 45.04 2osg n LEU 82 CO 0.46 -0.02 0.02 -1.84 -1.33 0.00 0.00 177.39 174.68