#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 -0.20 0.26 2.02 -5.25 -1.26 -5.16 121.20 111.62 2osg s ILE 2 Ca 0.00 0.26 0.01 0.00 -0.99 0.00 0.00 60.65 59.93 2osg s ILE 2 Cb 0.00 -0.32 -0.04 0.00 2.95 0.00 0.00 42.46 45.05 2osg s ILE 2 CO 0.00 0.11 0.45 -0.83 -1.79 0.00 0.00 174.94 172.88 2osg s GLY 3 N 1.84 1.53 -0.04 6.27 0.00 -1.26 -5.11 107.32 110.56 2osg s GLY 3 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2osg s GLY 3 CO -0.07 -0.87 -0.10 0.14 0.00 0.00 0.00 173.10 172.20 2osg s VAL 4 N -2.06 0.87 -0.33 1.40 1.01 -1.26 -5.12 120.40 114.91 2osg s VAL 4 Ca 0.38 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2osg s VAL 4 Cb -0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2osg s VAL 4 CO 0.32 0.28 0.18 -0.76 0.00 0.00 0.00 175.10 175.11 2osg s LEU 5 N 0.35 4.28 -0.20 3.92 1.02 -1.26 -5.07 118.68 121.71 2osg s LEU 5 Ca -0.06 -0.54 -0.07 0.00 0.02 0.00 0.00 54.13 53.48 2osg s LEU 5 Cb -0.11 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2osg s LEU 5 CO 0.01 -0.22 0.06 -0.22 0.02 0.00 0.00 176.35 175.99 2osg s LEU 6 N 1.64 3.63 0.30 1.79 2.96 -1.26 -5.10 118.68 122.64 2osg s LEU 6 Ca 0.05 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2osg s LEU 6 Cb -0.17 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2osg s LEU 6 CO 0.07 0.10 0.45 0.00 -1.32 0.00 0.00 176.35 175.65 2osg s MET 7 N 0.83 3.36 -0.16 1.98 0.00 -1.26 -5.10 119.30 118.95 2osg s MET 7 Ca 0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 55.69 54.92 2osg s MET 7 Cb -0.14 -2.80 -0.05 0.00 0.00 0.00 0.00 34.83 31.85 2osg s MET 7 CO 0.02 0.23 0.20 0.21 0.00 0.00 0.00 175.02 175.69 2osg s LYS 8 N -4.14 4.08 -0.21 3.16 2.20 -1.26 -4.98 119.74 118.58 2osg s LYS 8 Ca 0.39 -0.06 0.14 0.00 -0.36 0.00 0.00 55.97 56.08 2osg s LYS 8 Cb -0.09 -3.37 0.45 0.00 -1.51 0.00 0.00 37.83 33.30 2osg s LYS 8 CO 0.32 0.38 1.18 0.43 -0.36 0.00 0.00 175.35 177.30 2osg n SER 9 N 3.20 2.61 -3.65 1.43 7.64 -1.26 -5.00 113.62 118.59 2osg n SER 9 Ca -0.15 -3.24 -0.02 0.00 1.01 0.00 0.00 58.87 56.47 2osg n SER 9 Cb 0.52 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 2osg n SER 9 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2osg s ARG 10 N -2.90 0.56 -0.55 1.43 6.06 -1.26 -5.04 118.95 117.25 2osg s ARG 10 Ca 0.40 1.40 -0.02 0.00 -2.50 0.00 0.00 55.73 55.01 2osg s ARG 10 Cb 0.38 0.77 0.29 0.00 0.06 0.00 0.00 34.95 36.45 2osg s ARG 10 CO -0.05 -0.20 2.16 0.00 -2.50 0.00 0.00 175.30 174.71 2osg n ALA 11 N 5.36 6.01 -0.05 6.12 0.00 -1.26 -4.21 120.51 132.48 2osg n ALA 11 Ca -0.12 -2.93 -0.07 0.00 0.00 0.00 0.00 53.44 50.31 2osg n ALA 11 Cb 0.50 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2osg n ALA 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2osg n ASN 12 N -0.15 3.17 -2.52 0.00 2.85 -1.26 -5.11 115.26 112.24 2osg n ASN 12 Ca 0.49 -0.06 -0.08 0.00 -0.11 0.00 0.00 54.58 54.82 2osg n ASN 12 Cb 0.55 -0.16 0.01 0.00 1.24 0.00 0.00 39.78 41.42 2osg n ASN 12 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2osg n GLU 13 N -2.81 0.86 -0.81 1.20 2.13 -1.26 -5.18 120.64 114.77 2osg n GLU 13 Ca -0.19 -1.95 -0.17 0.00 0.66 0.00 0.00 57.16 55.51 2osg n GLU 13 Cb 0.70 2.29 0.14 0.00 0.27 0.00 0.00 31.44 34.84 2osg n GLU 13 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2osg n GLU 14 N -0.45 -1.63 0.29 5.31 -0.58 -1.26 -4.89 120.64 117.42 2osg n GLU 14 Ca -0.06 -1.09 0.18 0.00 -0.42 0.00 0.00 57.16 55.77 2osg n GLU 14 Cb 0.49 -0.89 0.98 0.00 -0.57 0.00 0.00 31.44 31.45 2osg n GLU 14 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2osg h TYR 15 N -1.90 0.00 -0.89 -0.32 -1.99 -1.99 -3.46 116.97 106.42 2osg h TYR 15 Ca -0.24 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.34 2osg h TYR 15 Cb 0.71 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 2osg h TYR 15 CO 0.00 0.00 -0.18 0.41 -0.00 0.00 0.00 178.16 178.39 2osg n GLY 16 N -1.26 0.28 3.53 3.88 0.00 -1.26 -5.01 105.19 105.35 2osg n GLY 16 Ca -0.01 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2osg n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2osg s LEU 17 N -2.03 3.74 -0.37 0.99 1.43 -1.26 -5.07 118.68 116.12 2osg s LEU 17 Ca 0.00 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2osg s LEU 17 Cb 0.00 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2osg s LEU 17 CO 0.00 -0.02 0.33 -0.13 0.23 0.00 0.00 176.35 176.75 2osg s ARG 18 N 1.58 3.35 -0.21 1.70 0.52 -1.26 -5.06 118.95 119.56 2osg s ARG 18 Ca 0.06 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.55 2osg s ARG 18 Cb -0.15 -3.87 -0.03 0.00 0.52 0.00 0.00 34.95 31.42 2osg s ARG 18 CO 0.07 -0.60 0.05 -0.51 0.02 0.00 0.00 175.30 174.32 2osg s LEU 19 N 1.88 3.51 0.54 2.53 1.02 -1.26 -5.10 118.68 121.80 2osg s LEU 19 Ca 0.09 -0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.18 2osg s LEU 19 Cb -0.17 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.16 2osg s LEU 19 CO 0.11 0.07 0.35 -0.83 0.02 0.00 0.00 176.35 176.07 2osg s GLY 20 N 0.99 2.46 0.01 -3.19 0.00 -1.26 -5.15 107.32 101.17 2osg s GLY 20 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2osg s GLY 20 CO 0.03 -1.97 -0.01 -0.56 0.00 0.00 0.00 173.10 170.59 2osg s SER 21 N -4.22 0.07 0.12 1.64 0.01 -1.26 -5.04 113.70 105.02 2osg s SER 21 Ca 0.30 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.48 2osg s SER 21 Cb -0.02 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2osg s SER 21 CO 0.19 -0.09 -0.14 0.00 0.41 0.00 0.00 173.24 173.61 2osg s GLN 22 N -0.43 1.02 -0.24 12.44 -2.07 -1.26 -0.19 119.66 128.93 2osg s GLN 22 Ca -0.05 -1.23 -0.20 0.00 -1.82 0.00 0.00 55.36 52.07 2osg s GLN 22 Cb -0.03 -0.91 -0.02 0.00 -1.09 0.00 0.00 33.01 30.95 2osg s GLN 22 CO -0.00 0.18 0.60 0.42 -1.32 0.00 0.00 175.29 175.16 2osg s ILE 23 N -2.09 5.02 0.45 3.63 1.01 -1.03 -4.94 121.20 123.25 2osg s ILE 23 Ca 0.09 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.86 2osg s ILE 23 Cb -0.05 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2osg s ILE 23 CO 0.03 0.06 0.06 0.72 0.00 0.00 0.00 174.94 175.81 2osg s PHE 24 N 2.32 2.29 -0.88 3.97 -0.71 -1.26 -1.35 117.98 122.35 2osg s PHE 24 Ca 0.25 -0.75 -0.25 0.00 -1.04 0.00 0.00 56.93 55.14 2osg s PHE 24 Cb -0.16 -1.77 0.03 0.00 -1.21 0.00 0.00 43.02 39.92 2osg s PHE 24 CO 0.09 0.28 1.42 0.08 -1.34 0.00 0.00 175.22 175.75 2osg s VAL 25 N -2.74 3.79 0.04 -2.49 1.01 -1.02 -4.85 120.40 114.15 2osg s VAL 25 Ca 0.27 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 2osg s VAL 25 Cb 0.06 -4.91 -0.15 0.00 0.00 0.00 0.00 36.38 31.37 2osg s VAL 25 CO 0.14 -1.82 1.50 0.50 0.00 0.00 0.00 175.10 175.42 2osg h LYS 26 N 10.15 0.12 -1.89 2.72 1.63 -1.92 0.68 116.57 128.06 2osg h LYS 26 Ca -0.02 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 2osg h LYS 26 Cb 1.03 -0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 32.45 2osg h LYS 26 CO 1.35 0.35 0.48 -1.83 -3.45 0.00 0.00 179.45 176.35 2osg s GLU 27 N -5.12 0.74 0.15 1.90 -1.05 -1.26 -4.68 118.70 109.38 2osg s GLU 27 Ca -0.14 -0.01 0.03 0.00 -0.15 0.00 0.00 54.97 54.70 2osg s GLU 27 Cb 0.05 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2osg s GLU 27 CO 0.69 -0.27 -0.06 -1.64 0.95 0.00 0.00 175.26 174.93 2osg s MET 28 N -1.88 1.04 0.22 -4.83 -1.94 -1.26 -5.11 119.30 105.53 2osg s MET 28 Ca -0.00 -1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 52.22 2osg s MET 28 Cb -0.01 -0.43 -0.09 0.00 2.01 0.00 0.00 34.83 36.31 2osg s MET 28 CO -0.01 -0.01 1.26 -0.08 -0.01 0.00 0.00 175.02 176.17 2osg s THR 29 N -3.49 3.28 0.43 2.05 -1.32 -1.26 -4.99 115.64 110.34 2osg s THR 29 Ca 0.18 1.10 -0.24 0.00 -1.21 0.00 0.00 61.69 61.51 2osg s THR 29 Cb 0.04 -3.70 -0.08 0.00 -1.51 0.00 0.00 72.50 67.25 2osg s THR 29 CO 0.01 0.19 1.20 -0.60 -2.21 0.00 0.00 174.62 173.20 2osg s ARG 30 N -0.45 3.89 -1.60 7.08 3.52 -1.26 -2.94 118.95 127.19 2osg s ARG 30 Ca 0.54 1.89 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 2osg s ARG 30 Cb -0.35 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2osg s ARG 30 CO 0.40 -0.47 0.12 2.41 -0.81 0.00 0.00 175.30 176.94 2osg n THR 31 N -0.17 -1.09 -3.07 4.11 -1.04 -1.26 -4.98 114.28 106.79 2osg n THR 31 Ca 0.06 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 2osg n THR 31 Cb 0.46 -2.81 0.03 0.00 -1.82 0.00 0.00 70.33 66.20 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 -1.07 2.02 0.20 3.41 0.00 -1.15 -4.87 105.19 103.73 2osg n GLY 32 Ca -0.20 -2.18 0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 0.11 -0.09 0.99 3.38 -1.94 0.12 115.31 117.89 2osg h LEU 33 Ca -0.12 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.56 2osg h LEU 33 Cb 0.56 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2osg h LEU 33 CO 0.18 0.45 -0.95 0.00 0.09 0.00 0.00 178.44 178.21 2osg h ALA 34 N 1.56 0.23 0.07 1.53 0.00 -1.95 -3.00 119.26 117.71 2osg h ALA 34 Ca 0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 2osg h ALA 34 Cb 0.64 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2osg h ALA 34 CO 0.05 0.71 -1.11 1.79 0.00 0.00 0.00 179.25 180.68 2osg h THR 35 N 0.40 1.53 -0.57 0.00 1.35 -1.77 0.33 112.91 114.19 2osg h THR 35 Ca -0.10 -3.01 -0.04 0.00 -0.55 0.00 0.00 66.41 62.70 2osg h THR 35 Cb 1.59 2.81 -0.03 0.00 -1.73 0.00 0.00 68.15 70.79 2osg h THR 35 CO 0.18 0.88 0.18 0.11 -0.25 0.00 0.00 175.52 176.62 2osg h LYS 36 N 0.08 0.85 0.00 4.72 1.57 -0.82 -3.23 116.57 119.74 2osg h LYS 36 Ca -0.09 -0.16 -0.37 0.00 -1.87 0.00 0.00 60.65 58.17 2osg h LYS 36 Cb 1.83 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.93 2osg h LYS 36 CO 0.18 0.74 -2.38 -3.47 -0.57 0.00 0.00 179.45 173.94 2osg n ASP 37 N -4.29 0.25 -1.74 0.86 2.03 -1.13 -5.03 116.55 107.49 2osg n ASP 37 Ca 0.04 -0.01 -0.06 0.00 0.52 0.00 0.00 54.79 55.28 2osg n ASP 37 Cb 0.20 0.87 0.03 0.00 -0.72 0.00 0.00 41.12 41.50 2osg n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2osg n GLY 38 N 1.82 0.25 0.09 0.27 0.00 0.12 -4.97 105.19 102.76 2osg n GLY 38 Ca -0.34 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 2osg n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2osg h ASN 39 N -0.72 0.19 -4.28 1.61 -1.07 -1.86 -3.44 115.58 106.00 2osg h ASN 39 Ca -0.20 -0.16 -0.35 0.00 0.07 0.00 0.00 56.30 55.67 2osg h ASN 39 Cb 1.12 -0.05 -0.25 0.00 -2.07 0.00 0.00 38.32 37.06 2osg h ASN 39 CO 0.17 0.29 -0.76 -0.76 0.07 0.00 0.00 177.43 176.44 2osg s LEU 40 N -9.86 2.12 0.14 6.14 1.43 -1.26 -5.09 118.68 112.30 2osg s LEU 40 Ca -0.14 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 2osg s LEU 40 Cb 0.06 -0.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.87 2osg s LEU 40 CO 0.69 -0.01 0.42 -1.00 0.23 0.00 0.00 176.35 176.68 2osg s HIS 41 N -0.68 3.50 -0.21 0.29 3.76 -1.26 -4.97 115.29 115.72 2osg s HIS 41 Ca -0.01 0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 55.32 2osg s HIS 41 Cb -0.06 -2.12 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 2osg s HIS 41 CO 0.00 0.43 2.20 0.39 -0.85 0.00 0.00 174.74 176.91 2osg n GLU 42 N 0.33 1.94 0.00 1.40 1.02 -1.26 -1.05 120.64 123.03 2osg n GLU 42 Ca -0.04 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2osg n GLU 42 Cb 0.52 -3.14 0.00 0.00 -0.02 0.00 0.00 31.44 28.80 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 5.74 2.05 3.75 0.62 0.00 0.24 -4.96 105.19 112.63 2osg n GLY 43 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2osg n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2osg s ASP 44 N -1.80 6.36 -0.23 1.61 1.11 -0.21 -4.63 116.67 118.88 2osg s ASP 44 Ca 0.00 2.95 -0.29 0.00 0.18 0.00 0.00 52.55 55.39 2osg s ASP 44 Cb 0.00 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.37 2osg s ASP 44 CO 0.00 -0.93 1.05 0.27 1.18 0.00 0.00 175.17 176.74 2osg s ILE 45 N 0.09 4.66 0.04 0.77 -4.36 -1.26 -2.43 121.20 118.71 2osg s ILE 45 Ca 0.64 2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 62.84 2osg s ILE 45 Cb -0.48 -4.30 -0.06 0.00 1.25 0.00 0.00 42.46 38.86 2osg s ILE 45 CO 0.47 -0.19 0.59 -0.63 0.24 0.00 0.00 174.94 175.41 2osg s ILE 46 N 3.23 4.81 -0.22 8.37 1.01 -0.46 -3.59 121.20 134.35 2osg s ILE 46 Ca 0.44 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 62.30 2osg s ILE 46 Cb -0.15 -3.92 -0.19 0.00 0.01 0.00 0.00 42.46 38.21 2osg s ILE 46 CO 0.07 0.49 -0.06 -0.11 0.00 0.00 0.00 174.94 175.32 2osg n LEU 47 N 2.21 2.70 -3.88 2.97 7.94 0.20 -4.41 117.00 124.72 2osg n LEU 47 Ca -0.09 0.05 -0.11 0.00 -1.11 0.00 0.00 56.01 54.75 2osg n LEU 47 Cb 0.51 -0.96 -0.11 0.00 0.53 0.00 0.00 43.42 43.39 2osg n LEU 47 CO 0.42 0.83 -0.21 -0.54 -1.11 0.00 0.00 177.39 176.79 2osg s LYS 48 N -2.52 0.38 -0.09 1.96 3.01 -1.21 -0.75 119.74 120.52 2osg s LYS 48 Ca -0.32 -0.30 -0.02 0.00 -1.01 0.00 0.00 55.97 54.32 2osg s LYS 48 Cb 0.09 0.16 0.03 0.00 -1.01 0.00 0.00 37.83 37.10 2osg s LYS 48 CO 0.63 -0.08 0.02 0.42 0.51 0.00 0.00 175.35 176.85 2osg s ILE 49 N -1.07 0.26 -1.46 2.17 1.01 0.20 0.34 121.20 122.66 2osg s ILE 49 Ca -0.12 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 2osg s ILE 49 Cb -0.06 -0.52 0.05 0.00 0.01 0.00 0.00 42.46 41.94 2osg s ILE 49 CO 0.01 0.14 0.80 0.59 0.00 0.00 0.00 174.94 176.48 2osg n ASN 50 N 5.18 -2.93 -0.56 3.58 4.13 0.96 -0.44 115.26 125.18 2osg n ASN 50 Ca -0.06 -0.84 -0.07 0.00 1.68 0.00 0.00 54.58 55.28 2osg n ASN 50 Cb 0.50 -3.73 -0.03 0.00 -1.54 0.00 0.00 39.78 34.97 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 -1.67 0.92 3.29 7.41 0.00 -1.26 -4.98 105.19 108.90 2osg n GLY 51 Ca -0.11 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.18 1.97 0.54 2.61 2.01 0.42 -5.12 115.64 115.90 2osg s THR 52 Ca 0.00 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 2osg s THR 52 Cb 0.00 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2osg s THR 52 CO 0.00 0.56 1.37 0.52 -0.69 0.00 0.00 174.62 176.38 2osg n VAL 53 N 2.53 3.73 -1.15 3.82 0.31 -1.26 0.62 118.33 126.93 2osg n VAL 53 Ca -0.16 -0.50 0.09 0.00 -0.01 0.00 0.00 64.34 63.76 2osg n VAL 53 Cb 0.51 -1.69 0.14 0.00 -0.91 0.00 0.00 33.84 31.90 2osg n VAL 53 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2osg n THR 54 N -0.95 1.85 -5.13 2.52 -1.04 0.07 -4.68 114.28 106.93 2osg n THR 54 Ca 0.10 -2.28 -0.32 0.00 -2.04 0.00 0.00 64.05 59.51 2osg n THR 54 Cb 0.44 -0.21 -0.17 0.00 -1.82 0.00 0.00 70.33 68.57 2osg n THR 54 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2osg s GLU 55 N -2.81 3.09 0.00 -2.82 2.12 -1.26 -2.46 118.70 114.55 2osg s GLU 55 Ca 0.32 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2osg s GLU 55 Cb 0.28 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 32.32 2osg s GLU 55 CO 0.02 0.17 0.00 0.09 -0.54 0.00 0.00 175.26 175.00 2osg n ASN 56 N 3.56 0.00 -4.76 -1.70 3.02 0.74 -4.97 115.26 111.16 2osg n ASN 56 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 2osg n ASN 56 Cb 0.53 -0.81 0.03 0.00 -0.61 0.00 0.00 39.78 38.92 2osg n ASN 56 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2osg s MET 57 N -0.11 2.96 0.37 3.52 1.75 -1.26 -4.97 119.30 121.56 2osg s MET 57 Ca 0.00 1.76 -0.26 0.00 -1.25 0.00 0.00 55.69 55.94 2osg s MET 57 Cb 0.00 -1.94 -0.09 0.00 2.84 0.00 0.00 34.83 35.65 2osg s MET 57 CO 0.00 -1.20 1.14 0.45 -0.65 0.00 0.00 175.02 174.77 2osg s SER 58 N -1.72 6.71 0.17 1.11 0.15 -1.26 -4.89 113.70 113.97 2osg s SER 58 Ca 0.76 2.30 -0.14 0.00 0.70 0.00 0.00 55.95 59.56 2osg s SER 58 Cb -0.29 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.51 2osg s SER 58 CO 0.33 -0.54 1.78 0.25 1.20 0.00 0.00 173.24 176.27 2osg h LEU 59 N 2.86 0.34 -0.97 3.45 6.46 -2.00 -1.49 115.31 123.96 2osg h LEU 59 Ca -0.48 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.34 2osg h LEU 59 Cb 1.23 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 2osg h LEU 59 CO 0.63 0.24 0.63 0.71 -0.62 0.00 0.00 178.44 180.04 2osg h THR 60 N 0.46 1.15 -0.18 1.05 1.35 -1.99 -1.22 112.91 113.54 2osg h THR 60 Ca 0.20 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 2osg h THR 60 Cb 0.09 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.34 2osg h THR 60 CO -0.13 0.22 0.05 -0.78 -0.25 0.00 0.00 175.52 174.63 2osg h ASP 61 N 1.21 0.26 -0.86 5.36 1.82 -1.78 -0.08 116.42 122.34 2osg h ASP 61 Ca 0.39 -0.21 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 2osg h ASP 61 Cb 0.03 -0.07 -0.05 0.00 0.68 0.00 0.00 39.33 39.93 2osg h ASP 61 CO -0.13 0.40 0.56 0.00 -1.61 0.00 0.00 179.24 178.45 2osg h ALA 62 N 0.87 1.11 -0.39 -0.78 0.00 -0.89 0.12 119.26 119.30 2osg h ALA 62 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2osg h ALA 62 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2osg h ALA 62 CO -0.00 0.44 -0.25 -0.09 0.00 0.00 0.00 179.25 179.35 2osg h ARG 63 N 1.11 0.81 -0.44 0.00 2.43 -1.08 -2.77 114.38 114.45 2osg h ARG 63 Ca 0.33 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 2osg h ARG 63 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2osg h ARG 63 CO -0.10 0.97 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.90 2osg h LYS 64 N 0.70 0.89 -0.68 0.20 3.64 -0.34 -2.10 116.57 118.87 2osg h LYS 64 Ca 0.09 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 2osg h LYS 64 Cb 0.77 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2osg h LYS 64 CO 0.06 1.01 0.45 1.25 -2.27 0.00 0.00 179.45 179.95 2osg h LEU 65 N 0.77 0.77 -0.64 5.20 6.46 -0.65 0.20 115.31 127.42 2osg h LEU 65 Ca 0.10 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2osg h LEU 65 Cb 0.76 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2osg h LEU 65 CO 0.06 0.55 -0.26 0.40 -0.62 0.00 0.00 178.44 178.58 2osg h ILE 66 N 0.91 1.27 -0.03 4.05 2.04 -1.39 -0.45 117.51 123.92 2osg h ILE 66 Ca 0.25 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2osg h ILE 66 Cb -0.10 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2osg h ILE 66 CO -0.06 0.46 -0.00 -0.33 0.00 0.00 0.00 178.15 178.22 2osg h GLU 67 N 0.68 0.05 0.00 2.37 4.39 -0.86 -2.96 114.58 118.25 2osg h GLU 67 Ca 0.09 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2osg h GLU 67 Cb 0.78 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2osg h GLU 67 CO 0.06 0.37 -0.10 1.57 -1.16 0.00 0.00 179.01 179.76 2osg h LYS 68 N -0.28 0.00 -4.70 2.33 2.10 -0.61 -3.37 116.57 112.04 2osg h LYS 68 Ca 0.01 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 2osg h LYS 68 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2osg h LYS 68 CO 0.00 0.10 2.36 0.45 -2.00 0.00 0.00 179.45 180.36 2osg n SER 69 N -3.30 3.41 -4.52 7.07 2.88 -0.18 -4.90 113.62 114.08 2osg n SER 69 Ca -0.00 -2.77 -0.43 0.00 -1.33 0.00 0.00 58.87 54.34 2osg n SER 69 Cb 0.31 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.25 2osg n SER 69 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2osg s ARG 70 N 4.54 3.34 0.00 -1.46 3.52 -1.26 -4.52 118.95 123.11 2osg s ARG 70 Ca 0.55 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 2osg s ARG 70 Cb 0.10 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 2osg s ARG 70 CO 0.05 -1.48 0.00 0.41 -0.81 0.00 0.00 175.30 173.47 2osg n GLY 71 N 5.11 1.18 3.05 8.12 0.00 -1.26 -5.06 105.19 116.32 2osg n GLY 71 Ca 0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2osg n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osg s LYS 72 N 0.00 1.41 0.03 1.61 -2.85 -1.26 -5.14 119.74 113.54 2osg s LYS 72 Ca 0.00 -0.43 0.08 0.00 -1.00 0.00 0.00 55.97 54.62 2osg s LYS 72 Cb 0.00 -1.24 -0.02 0.00 -2.06 0.00 0.00 37.83 34.51 2osg s LYS 72 CO 0.00 0.13 -0.22 -0.48 0.10 0.00 0.00 175.35 174.88 2osg s LEU 73 N 0.27 2.15 -0.05 2.77 0.05 -1.26 -5.01 118.68 117.59 2osg s LEU 73 Ca -0.06 -0.51 0.02 0.00 0.05 0.00 0.00 54.13 53.63 2osg s LEU 73 Cb -0.11 -1.06 -0.03 0.00 -2.05 0.00 0.00 46.19 42.94 2osg s LEU 73 CO 0.02 0.20 -0.10 -1.58 -0.55 0.00 0.00 176.35 174.33 2osg s GLN 74 N -1.08 2.61 -0.04 1.48 0.74 -1.26 -4.94 119.66 117.16 2osg s GLN 74 Ca 0.08 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.86 2osg s GLN 74 Cb -0.09 -2.48 0.02 0.00 1.10 0.00 0.00 33.01 31.56 2osg s GLN 74 CO 0.01 0.64 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.86 2osg s LEU 75 N -0.84 1.21 -0.08 3.68 1.02 -1.26 -0.03 118.68 122.37 2osg s LEU 75 Ca 0.12 -0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.18 2osg s LEU 75 Cb -0.11 -0.39 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 2osg s LEU 75 CO 0.02 -0.08 -0.05 -0.69 0.02 0.00 0.00 176.35 175.56 2osg s VAL 76 N 1.05 3.82 0.19 -1.59 1.01 0.15 -4.97 120.40 120.06 2osg s VAL 76 Ca -0.09 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.57 2osg s VAL 76 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2osg s VAL 76 CO -0.01 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 174.76 2osg s VAL 77 N -0.69 2.23 -0.28 2.92 1.01 -1.26 0.58 120.40 124.92 2osg s VAL 77 Ca 0.11 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.02 2osg s VAL 77 Cb -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2osg s VAL 77 CO 0.02 -0.15 0.06 -0.22 0.00 0.00 0.00 175.10 174.80 2osg s LEU 78 N -2.65 3.63 0.45 3.92 0.20 -1.24 -4.85 118.68 118.14 2osg s LEU 78 Ca 0.19 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.42 2osg s LEU 78 Cb -0.08 -1.86 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 2osg s LEU 78 CO 0.09 -0.14 0.00 -1.14 -0.29 0.00 0.00 176.35 174.87 2osg n ARG 79 N 4.86 -3.09 -1.88 1.98 0.63 -1.26 -4.92 116.66 112.97 2osg n ARG 79 Ca -0.15 2.23 0.00 0.00 -0.92 0.00 0.00 57.85 59.01 2osg n ARG 79 Cb 0.49 -3.71 0.00 0.00 0.45 0.00 0.00 32.46 29.69 2osg n ARG 79 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2osg n ASP 80 N -4.31 -7.46 0.07 6.15 -0.08 -1.26 -5.04 116.55 104.62 2osg n ASP 80 Ca -0.02 1.25 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 2osg n ASP 80 Cb 0.67 -4.08 0.00 0.00 2.34 0.00 0.00 41.12 40.05 2osg n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2osg n SER 81 N 1.38 0.31 0.00 1.67 7.64 -1.26 -5.04 113.62 118.31 2osg n SER 81 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2osg n SER 81 Cb 0.00 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2osg n SER 81 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2osg n LEU 82 N -3.19 0.00 0.00 -3.43 4.77 -1.26 -5.13 117.00 108.76 2osg n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2osg n LEU 82 Cb 0.00 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2osg n LEU 82 CO 0.00 -0.37 0.00 -0.62 -1.33 0.00 0.00 177.39 175.07