#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 1.62 0.14 2.02 -4.36 -1.26 -5.16 121.20 114.20 2osg s ILE 2 Ca 0.00 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.59 2osg s ILE 2 Cb 0.00 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 2osg s ILE 2 CO 0.00 -0.37 -0.11 -0.83 0.24 0.00 0.00 174.94 173.87 2osg s GLY 3 N -2.61 1.09 -0.05 6.27 0.00 -1.26 -5.15 107.32 105.61 2osg s GLY 3 Ca 0.13 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.43 2osg s GLY 3 CO 0.05 -1.54 -0.11 0.14 0.00 0.00 0.00 173.10 171.64 2osg s VAL 4 N -2.99 1.01 -0.37 1.40 1.01 -1.26 -5.12 120.40 114.08 2osg s VAL 4 Ca 0.15 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 2osg s VAL 4 Cb 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 2osg s VAL 4 CO 0.02 0.32 0.39 -0.22 0.00 0.00 0.00 175.10 175.60 2osg s LEU 5 N 0.43 4.57 -0.09 3.92 0.20 -1.26 -5.06 118.68 121.39 2osg s LEU 5 Ca -0.09 -0.36 -0.19 0.00 0.69 0.00 0.00 54.13 54.19 2osg s LEU 5 Cb -0.13 -2.36 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 2osg s LEU 5 CO 0.02 -0.42 0.50 -0.76 -0.29 0.00 0.00 176.35 175.40 2osg s LEU 6 N 2.07 4.31 0.29 -0.68 1.02 -1.26 -5.08 118.68 119.35 2osg s LEU 6 Ca 0.12 0.90 0.08 0.00 0.02 0.00 0.00 54.13 55.25 2osg s LEU 6 Cb -0.17 -2.74 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 2osg s LEU 6 CO 0.12 0.04 0.19 -0.32 0.02 0.00 0.00 176.35 176.40 2osg s MET 7 N 0.37 2.71 -0.28 1.70 -2.45 -1.26 -5.10 119.30 114.99 2osg s MET 7 Ca 0.27 -1.24 -0.12 0.00 -1.25 0.00 0.00 55.69 53.35 2osg s MET 7 Cb -0.16 -2.43 -0.04 0.00 1.25 0.00 0.00 34.83 33.44 2osg s MET 7 CO 0.12 0.26 0.25 0.21 1.05 0.00 0.00 175.02 176.91 2osg s LYS 8 N -3.87 3.94 -0.35 4.11 2.36 -1.26 -4.97 119.74 119.70 2osg s LYS 8 Ca 0.36 -0.23 0.06 0.00 -2.55 0.00 0.00 55.97 53.61 2osg s LYS 8 Cb -0.06 -3.67 0.47 0.00 -1.05 0.00 0.00 37.83 33.52 2osg s LYS 8 CO 0.24 -0.23 1.42 -1.13 1.55 0.00 0.00 175.35 177.21 2osg n SER 9 N 5.15 4.36 -3.32 1.43 3.41 -1.26 -4.92 113.62 118.47 2osg n SER 9 Ca -0.12 -3.79 0.03 0.00 -0.26 0.00 0.00 58.87 54.73 2osg n SER 9 Cb 0.51 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 2osg n SER 9 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2osg s ARG 10 N -3.50 0.45 -0.36 4.33 6.06 -1.26 -5.05 118.95 119.61 2osg s ARG 10 Ca 0.50 0.93 -0.04 0.00 -2.50 0.00 0.00 55.73 54.63 2osg s ARG 10 Cb 0.42 0.54 0.00 0.00 0.06 0.00 0.00 34.95 35.98 2osg s ARG 10 CO 0.01 -0.34 2.90 0.00 -2.50 0.00 0.00 175.30 175.37 2osg n ALA 11 N 5.35 6.37 -2.15 6.12 0.00 -1.26 -3.80 120.51 131.15 2osg n ALA 11 Ca -0.06 -2.74 -0.02 0.00 0.00 0.00 0.00 53.44 50.62 2osg n ALA 11 Cb 0.51 -2.14 0.01 0.00 0.00 0.00 0.00 19.45 17.84 2osg n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2osg n ASN 12 N 1.16 -0.51 -3.47 0.00 6.94 -1.26 -5.16 115.26 112.97 2osg n ASN 12 Ca 0.47 -1.17 0.02 0.00 -0.02 0.00 0.00 54.58 53.87 2osg n ASN 12 Cb 0.62 0.20 0.01 0.00 -2.36 0.00 0.00 39.78 38.26 2osg n ASN 12 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2osg n GLU 13 N -0.33 0.23 -4.19 -3.83 2.13 -1.25 -5.19 120.64 108.22 2osg n GLU 13 Ca -0.09 -0.80 -0.27 0.00 0.66 0.00 0.00 57.16 56.65 2osg n GLU 13 Cb 0.55 1.26 -0.05 0.00 0.27 0.00 0.00 31.44 33.47 2osg n GLU 13 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2osg s GLU 14 N -2.02 2.23 0.49 5.31 -1.05 -1.26 -4.96 118.70 117.45 2osg s GLU 14 Ca 0.26 -2.06 0.16 0.00 -0.15 0.00 0.00 54.97 53.18 2osg s GLU 14 Cb -0.01 -1.92 1.18 0.00 -0.44 0.00 0.00 34.13 32.94 2osg s GLU 14 CO 0.00 -0.39 2.09 1.88 0.95 0.00 0.00 175.26 179.80 2osg h TYR 15 N 1.12 0.00 -0.19 4.83 0.05 -1.97 -3.46 116.97 117.35 2osg h TYR 15 Ca -0.41 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.34 2osg h TYR 15 Cb 1.29 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.02 2osg h TYR 15 CO 1.00 0.08 -0.04 0.41 -1.05 0.00 0.00 178.16 178.56 2osg n GLY 16 N -1.30 0.36 3.25 3.88 0.00 -1.26 -5.04 105.19 105.08 2osg n GLY 16 Ca -0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.43 2.99 -0.37 0.99 1.02 -1.26 -5.08 118.68 116.53 2osg s LEU 17 Ca 0.00 -0.62 -0.15 0.00 0.02 0.00 0.00 54.13 53.38 2osg s LEU 17 Cb 0.00 -1.69 -0.00 0.00 0.02 0.00 0.00 46.19 44.52 2osg s LEU 17 CO 0.00 -0.07 0.33 -0.13 0.02 0.00 0.00 176.35 176.50 2osg s ARG 18 N 1.40 3.35 -0.23 1.70 3.00 -1.26 -5.06 118.95 121.85 2osg s ARG 18 Ca 0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 55.73 54.98 2osg s ARG 18 Cb -0.15 -3.87 -0.05 0.00 0.00 0.00 0.00 34.95 30.88 2osg s ARG 18 CO -0.04 -0.61 0.25 -0.51 0.00 0.00 0.00 175.30 174.38 2osg s LEU 19 N 1.90 4.12 0.00 2.53 1.02 -1.26 -5.08 118.68 121.91 2osg s LEU 19 Ca 0.09 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.49 2osg s LEU 19 Cb -0.17 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.79 2osg s LEU 19 CO 0.11 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.10 2osg n GLY 20 N 4.19 2.77 3.14 -3.19 0.00 -1.26 -5.15 105.19 105.69 2osg n GLY 20 Ca -0.13 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.87 -0.05 -0.04 1.61 1.04 -1.26 -5.04 113.70 109.10 2osg s SER 21 Ca 0.00 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2osg s SER 21 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2osg s SER 21 CO 0.00 -0.37 -0.09 0.00 0.98 0.00 0.00 173.24 173.77 2osg s GLN 22 N -1.27 1.06 -0.25 4.02 -2.07 -1.26 0.62 119.66 120.52 2osg s GLN 22 Ca -0.13 -0.28 -0.22 0.00 -1.82 0.00 0.00 55.36 52.91 2osg s GLN 22 Cb -0.07 -0.97 -0.01 0.00 -1.09 0.00 0.00 33.01 30.87 2osg s GLN 22 CO 0.02 0.06 0.71 0.42 -1.32 0.00 0.00 175.29 175.18 2osg s ILE 23 N 0.43 4.93 0.42 3.63 1.01 -0.97 -4.94 121.20 125.70 2osg s ILE 23 Ca -0.07 1.31 0.04 0.00 0.00 0.00 0.00 60.65 61.93 2osg s ILE 23 Cb -0.11 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2osg s ILE 23 CO 0.01 -0.01 0.03 0.72 0.00 0.00 0.00 174.94 175.69 2osg s PHE 24 N 2.60 2.16 -0.72 3.97 -0.71 -1.26 -0.32 117.98 123.69 2osg s PHE 24 Ca 0.30 -0.87 -0.26 0.00 -1.04 0.00 0.00 56.93 55.06 2osg s PHE 24 Cb -0.15 -1.56 0.04 0.00 -1.21 0.00 0.00 43.02 40.14 2osg s PHE 24 CO 0.08 0.22 1.19 0.08 -1.34 0.00 0.00 175.22 175.45 2osg s VAL 25 N -2.94 3.91 -0.03 -2.49 1.01 -0.98 -4.89 120.40 114.01 2osg s VAL 25 Ca 0.27 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 2osg s VAL 25 Cb 0.07 -4.85 -0.11 0.00 0.00 0.00 0.00 36.38 31.49 2osg s VAL 25 CO 0.13 -1.74 0.78 0.11 0.00 0.00 0.00 175.10 174.38 2osg h LYS 26 N 9.88 -0.52 -2.34 2.72 1.57 -1.92 0.74 116.57 126.70 2osg h LYS 26 Ca -0.27 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 2osg h LYS 26 Cb 1.06 0.12 -0.20 0.00 0.08 0.00 0.00 32.23 33.28 2osg h LYS 26 CO 1.25 -0.28 0.02 -2.00 -0.57 0.00 0.00 179.45 177.87 2osg s GLU 27 N -3.62 0.87 0.15 3.15 2.12 -1.26 -4.64 118.70 115.47 2osg s GLU 27 Ca -0.10 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.53 2osg s GLU 27 Cb 0.01 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 2osg s GLU 27 CO 0.33 -0.23 -0.02 0.00 -0.54 0.00 0.00 175.26 174.80 2osg s MET 28 N -0.86 1.02 0.34 4.30 0.23 -1.26 -5.13 119.30 117.94 2osg s MET 28 Ca -0.09 -1.47 -0.29 0.00 -1.03 0.00 0.00 55.69 52.81 2osg s MET 28 Cb -0.02 -0.23 -0.10 0.00 -1.53 0.00 0.00 34.83 32.94 2osg s MET 28 CO 0.06 -0.10 1.35 0.99 -2.03 0.00 0.00 175.02 175.29 2osg s THR 29 N -3.66 2.56 0.61 3.16 2.01 -1.26 -5.00 115.64 114.06 2osg s THR 29 Ca 0.20 0.56 -0.14 0.00 0.31 0.00 0.00 61.69 62.63 2osg s THR 29 Cb 0.06 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2osg s THR 29 CO 0.01 0.13 1.04 -0.13 -0.69 0.00 0.00 174.62 174.99 2osg s ARG 30 N -1.84 3.38 -0.99 4.92 3.00 -1.26 -3.69 118.95 122.48 2osg s ARG 30 Ca 0.50 1.01 -0.01 0.00 0.00 0.00 0.00 55.73 57.23 2osg s ARG 30 Cb -0.41 -2.05 0.01 0.00 0.00 0.00 0.00 34.95 32.50 2osg s ARG 30 CO 0.55 -0.74 0.08 0.25 0.00 0.00 0.00 175.30 175.44 2osg n THR 31 N -2.35 -0.61 -2.92 0.02 -2.24 -1.26 -4.94 114.28 99.97 2osg n THR 31 Ca 0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 2osg n THR 31 Cb 0.53 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 2osg n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2osg n GLY 32 N -0.84 1.80 0.17 3.38 0.00 -1.24 -4.87 105.19 103.58 2osg n GLY 32 Ca -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.19 0.99 3.38 -1.92 -0.02 115.31 117.66 2osg h LEU 33 Ca -0.02 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 2osg h LEU 33 Cb 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2osg h LEU 33 CO 0.02 0.60 -0.89 0.00 0.09 0.00 0.00 178.44 178.26 2osg h ALA 34 N 1.40 0.37 0.07 1.53 0.00 -1.95 -3.10 119.26 117.58 2osg h ALA 34 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 54.91 54.00 2osg h ALA 34 Cb 0.93 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2osg h ALA 34 CO 0.07 0.76 -1.11 1.15 0.00 0.00 0.00 179.25 180.12 2osg h THR 35 N 0.32 1.53 -0.88 0.00 2.02 -1.80 0.38 112.91 114.48 2osg h THR 35 Ca -0.07 -2.99 -0.01 0.00 0.77 0.00 0.00 66.41 64.11 2osg h THR 35 Cb 1.52 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 70.68 2osg h THR 35 CO 0.16 0.87 0.53 0.11 0.37 0.00 0.00 175.52 177.56 2osg h LYS 36 N 0.08 1.19 0.00 6.66 1.57 -1.05 -3.20 116.57 121.83 2osg h LYS 36 Ca -0.09 -0.11 -0.37 0.00 -1.87 0.00 0.00 60.65 58.21 2osg h LYS 36 Cb 1.82 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.81 2osg h LYS 36 CO 0.18 0.84 -2.39 -0.25 -0.57 0.00 0.00 179.45 177.25 2osg n ASP 37 N -4.36 0.20 -1.75 0.86 8.00 -1.17 -5.03 116.55 113.29 2osg n ASP 37 Ca 0.10 -0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.52 2osg n ASP 37 Cb 0.06 0.88 0.03 0.00 -0.02 0.00 0.00 41.12 42.07 2osg n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2osg n GLY 38 N 1.80 0.23 0.12 0.44 0.00 0.13 -4.98 105.19 102.94 2osg n GLY 38 Ca -0.34 -0.30 -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 -0.69 0.29 -3.93 1.61 -1.07 -1.87 -3.44 115.58 106.49 2osg h ASN 39 Ca -0.19 -0.26 -0.49 0.00 0.07 0.00 0.00 56.30 55.43 2osg h ASN 39 Cb 1.11 -0.08 -0.31 0.00 -2.07 0.00 0.00 38.32 36.98 2osg h ASN 39 CO 0.17 0.48 -0.81 -0.76 0.07 0.00 0.00 177.43 176.58 2osg s LEU 40 N -9.62 1.88 0.18 6.14 1.43 -1.26 -5.08 118.68 112.35 2osg s LEU 40 Ca -0.14 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2osg s LEU 40 Cb 0.06 -0.73 -0.07 0.00 0.03 0.00 0.00 46.19 45.49 2osg s LEU 40 CO 0.72 0.12 0.50 -2.28 0.23 0.00 0.00 176.35 175.64 2osg s HIS 41 N 0.02 3.48 -0.24 0.29 2.46 -1.26 -4.98 115.29 115.06 2osg s HIS 41 Ca -0.01 0.84 -0.28 0.00 0.47 0.00 0.00 55.06 56.07 2osg s HIS 41 Cb -0.09 -2.22 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 2osg s HIS 41 CO 0.01 0.36 2.24 0.39 -2.47 0.00 0.00 174.74 175.26 2osg n GLU 42 N 0.20 1.87 0.00 2.88 1.02 -1.26 -1.06 120.64 124.29 2osg n GLU 42 Ca -0.02 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2osg n GLU 42 Cb 0.52 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.72 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 5.83 1.66 3.75 0.62 0.00 0.26 -4.97 105.19 112.35 2osg n GLY 43 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.93 6.51 -0.42 1.61 1.11 -0.22 -4.64 116.67 118.68 2osg s ASP 44 Ca 0.00 2.82 -0.29 0.00 0.18 0.00 0.00 52.55 55.27 2osg s ASP 44 Cb 0.00 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.38 2osg s ASP 44 CO 0.00 -0.81 1.09 0.27 1.18 0.00 0.00 175.17 176.91 2osg s ILE 45 N -0.08 4.34 0.04 0.77 -4.36 -1.26 -2.31 121.20 118.33 2osg s ILE 45 Ca 0.61 1.37 -0.30 0.00 -0.26 0.00 0.00 60.65 62.06 2osg s ILE 45 Cb -0.45 -4.52 -0.04 0.00 1.25 0.00 0.00 42.46 38.70 2osg s ILE 45 CO 0.47 -0.80 1.07 -0.63 0.24 0.00 0.00 174.94 175.29 2osg s ILE 46 N 4.09 4.48 -0.15 8.37 1.01 0.56 -3.07 121.20 136.49 2osg s ILE 46 Ca 0.46 1.80 -0.06 0.00 0.00 0.00 0.00 60.65 62.85 2osg s ILE 46 Cb -0.09 -4.15 -0.24 0.00 0.01 0.00 0.00 42.46 37.99 2osg s ILE 46 CO 0.25 0.15 0.23 -0.11 0.00 0.00 0.00 174.94 175.47 2osg n LEU 47 N 3.80 2.63 -3.72 2.97 7.94 0.20 -4.34 117.00 126.48 2osg n LEU 47 Ca 0.07 0.17 -0.14 0.00 -1.11 0.00 0.00 56.01 54.99 2osg n LEU 47 Cb 0.49 -1.07 -0.08 0.00 0.53 0.00 0.00 43.42 43.29 2osg n LEU 47 CO 0.53 0.82 0.09 -0.54 -1.11 0.00 0.00 177.39 177.19 2osg s LYS 48 N -2.54 0.70 -0.06 1.96 1.02 -1.16 -1.96 119.74 117.71 2osg s LYS 48 Ca -0.25 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 2osg s LYS 48 Cb 0.07 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.73 2osg s LYS 48 CO 0.72 -0.19 0.04 0.42 -0.92 0.00 0.00 175.35 175.42 2osg s ILE 49 N -1.10 0.07 -1.49 2.17 1.01 0.22 0.70 121.20 122.78 2osg s ILE 49 Ca -0.11 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2osg s ILE 49 Cb -0.04 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 42.19 2osg s ILE 49 CO 0.05 0.19 1.05 0.59 0.00 0.00 0.00 174.94 176.82 2osg n ASN 50 N 5.24 -5.32 -0.06 3.58 4.13 0.10 -0.87 115.26 122.07 2osg n ASN 50 Ca -0.05 -0.71 -0.01 0.00 1.68 0.00 0.00 54.58 55.50 2osg n ASN 50 Cb 0.50 -4.22 -0.00 0.00 -1.54 0.00 0.00 39.78 34.52 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 -1.79 0.45 3.27 7.41 0.00 -1.26 -4.99 105.19 108.28 2osg n GLY 51 Ca 0.04 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.85 2.09 0.57 2.61 2.01 -0.05 -5.12 115.64 115.90 2osg s THR 52 Ca 0.00 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 2osg s THR 52 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2osg s THR 52 CO 0.00 0.57 1.31 -0.69 -0.69 0.00 0.00 174.62 175.12 2osg s VAL 53 N -0.17 2.20 -0.19 3.82 1.01 -1.26 0.71 120.40 126.53 2osg s VAL 53 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2osg s VAL 53 Cb -0.14 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.22 2osg s VAL 53 CO 0.04 -0.01 0.88 0.41 0.00 0.00 0.00 175.10 176.41 2osg n THR 54 N -1.30 0.65 -3.33 3.92 -1.04 -0.83 -4.74 114.28 107.62 2osg n THR 54 Ca 0.12 -0.83 -0.38 0.00 -2.04 0.00 0.00 64.05 60.92 2osg n THR 54 Cb 0.47 0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.71 4.20 -0.25 -2.82 2.56 -1.26 -2.30 118.70 118.11 2osg s GLU 55 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 54.97 55.57 2osg s GLU 55 Cb 0.02 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.83 2osg s GLU 55 CO 0.03 0.44 0.00 0.27 -0.56 0.00 0.00 175.26 175.44 2osg n ASN 56 N 2.58 -3.72 -4.55 -1.70 0.23 0.20 -4.92 115.26 103.39 2osg n ASN 56 Ca -0.09 0.06 -0.29 0.00 -0.53 0.00 0.00 54.58 53.72 2osg n ASN 56 Cb 0.51 -2.54 0.17 0.00 -2.08 0.00 0.00 39.78 35.84 2osg n ASN 56 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2osg s MET 57 N -1.59 0.52 -0.07 -3.83 1.75 -1.26 -4.94 119.30 109.88 2osg s MET 57 Ca 0.00 0.22 -0.21 0.00 -1.25 0.00 0.00 55.69 54.45 2osg s MET 57 Cb 0.00 -1.77 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 2osg s MET 57 CO 0.00 -2.60 0.61 -1.54 -0.65 0.00 0.00 175.02 170.84 2osg s SER 58 N -3.94 6.89 0.40 1.11 1.04 -1.26 -4.95 113.70 112.98 2osg s SER 58 Ca 0.66 1.06 0.14 0.00 0.48 0.00 0.00 55.95 58.30 2osg s SER 58 Cb -0.14 -2.36 0.99 0.00 0.10 0.00 0.00 66.02 64.60 2osg s SER 58 CO 0.55 -0.05 1.87 0.25 0.98 0.00 0.00 173.24 176.84 2osg h LEU 59 N 6.60 0.49 -0.23 2.42 6.46 -1.99 -0.87 115.31 128.19 2osg h LEU 59 Ca -0.42 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.36 2osg h LEU 59 Cb 1.19 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2osg h LEU 59 CO 0.75 0.22 0.05 0.71 -0.62 0.00 0.00 178.44 179.54 2osg h THR 60 N 0.51 1.22 -0.33 1.05 1.35 -1.99 -1.62 112.91 113.09 2osg h THR 60 Ca 0.45 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 2osg h THR 60 Cb 0.97 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2osg h THR 60 CO -0.18 0.23 0.15 -0.78 -0.25 0.00 0.00 175.52 174.68 2osg h ASP 61 N 0.18 0.44 -0.82 5.36 1.82 -1.62 0.11 116.42 121.90 2osg h ASP 61 Ca 0.07 -0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2osg h ASP 61 Cb 0.30 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 2osg h ASP 61 CO 0.00 0.46 0.51 0.00 -1.61 0.00 0.00 179.24 178.60 2osg h ALA 62 N 1.00 1.09 -0.27 -0.78 0.00 -1.17 0.36 119.26 119.50 2osg h ALA 62 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2osg h ALA 62 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2osg h ALA 62 CO -0.01 0.30 -0.46 0.00 0.00 0.00 0.00 179.25 179.07 2osg h ARG 63 N 0.97 0.69 -0.42 0.00 3.08 -1.03 -2.89 114.38 114.79 2osg h ARG 63 Ca 0.34 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 2osg h ARG 63 Cb 0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2osg h ARG 63 CO -0.14 1.01 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.33 2osg h LYS 64 N 0.55 0.84 -0.54 0.04 3.64 0.01 -1.95 116.57 119.17 2osg h LYS 64 Ca 0.03 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2osg h LYS 64 Cb 1.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2osg h LYS 64 CO 0.10 0.97 0.35 1.25 -2.27 0.00 0.00 179.45 179.85 2osg h LEU 65 N 0.73 0.59 -0.65 5.20 6.46 -0.22 0.43 115.31 127.85 2osg h LEU 65 Ca 0.10 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 2osg h LEU 65 Cb 0.75 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2osg h LEU 65 CO 0.06 0.43 -0.26 0.40 -0.62 0.00 0.00 178.44 178.44 2osg h ILE 66 N 0.71 1.27 -0.02 4.05 2.04 -1.40 -0.68 117.51 123.48 2osg h ILE 66 Ca 0.20 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 2osg h ILE 66 Cb -0.06 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2osg h ILE 66 CO -0.06 0.46 -0.01 -0.33 0.00 0.00 0.00 178.15 178.21 2osg h GLU 67 N 0.67 0.04 0.00 2.37 5.08 -0.89 -3.10 114.58 118.75 2osg h GLU 67 Ca 0.08 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2osg h GLU 67 Cb 0.78 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2osg h GLU 67 CO 0.06 0.48 -0.19 0.87 -1.00 0.00 0.00 179.01 179.24 2osg h LYS 68 N -0.40 0.00 -3.29 2.33 1.57 -0.16 -3.29 116.57 113.33 2osg h LYS 68 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.10 2osg h LYS 68 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2osg h LYS 68 CO 0.00 0.19 3.57 0.45 -0.57 0.00 0.00 179.45 183.09 2osg n SER 69 N -3.91 7.24 -4.56 0.86 2.88 -0.27 -4.89 113.62 110.98 2osg n SER 69 Ca -0.02 -2.68 -0.39 0.00 -1.33 0.00 0.00 58.87 54.45 2osg n SER 69 Cb 0.28 -1.58 -0.03 0.00 -0.75 0.00 0.00 64.21 62.12 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 2.32 3.22 0.00 -1.46 0.52 -1.24 -4.23 118.95 118.07 2osg s ARG 70 Ca 0.62 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2osg s ARG 70 Cb 0.17 -4.78 0.00 0.00 0.52 0.00 0.00 34.95 30.86 2osg s ARG 70 CO -0.07 -2.38 0.00 0.41 0.02 0.00 0.00 175.30 173.29 2osg n GLY 71 N 6.19 0.19 3.01 -3.53 0.00 -1.26 -5.09 105.19 104.70 2osg n GLY 71 Ca 0.21 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 1.52 -0.00 1.61 2.20 -1.26 -5.14 119.74 118.66 2osg s LYS 72 Ca 0.00 -0.38 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2osg s LYS 72 Cb 0.00 -1.29 -0.01 0.00 -1.51 0.00 0.00 37.83 35.02 2osg s LYS 72 CO 0.00 0.04 -0.13 -0.48 -0.36 0.00 0.00 175.35 174.42 2osg s LEU 73 N 0.59 2.04 -0.08 5.43 2.34 -1.26 -4.97 118.68 122.77 2osg s LEU 73 Ca -0.12 -0.27 -0.02 0.00 0.06 0.00 0.00 54.13 53.78 2osg s LEU 73 Cb -0.14 -0.67 -0.03 0.00 -0.56 0.00 0.00 46.19 44.78 2osg s LEU 73 CO 0.03 0.15 0.02 -1.58 -1.06 0.00 0.00 176.35 173.90 2osg s GLN 74 N -0.41 3.00 -0.02 1.48 0.74 -1.26 -4.95 119.66 118.24 2osg s GLN 74 Ca 0.05 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.06 2osg s GLN 74 Cb -0.05 -2.81 0.01 0.00 1.10 0.00 0.00 33.01 31.25 2osg s GLN 74 CO -0.00 0.70 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.89 2osg s LEU 75 N -0.99 1.61 -0.02 3.68 1.02 -1.26 0.01 118.68 122.73 2osg s LEU 75 Ca 0.14 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.28 2osg s LEU 75 Cb -0.11 -0.30 -0.02 0.00 0.02 0.00 0.00 46.19 45.78 2osg s LEU 75 CO 0.04 -0.01 -0.24 -0.69 0.02 0.00 0.00 176.35 175.47 2osg s VAL 76 N 0.45 2.26 -0.05 -1.59 1.01 0.22 -4.97 120.40 117.72 2osg s VAL 76 Ca -0.05 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.90 2osg s VAL 76 Cb -0.08 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2osg s VAL 76 CO -0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 2osg s VAL 77 N -0.66 1.62 -0.16 2.92 1.01 -1.26 0.60 120.40 124.46 2osg s VAL 77 Ca 0.11 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2osg s VAL 77 Cb -0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2osg s VAL 77 CO -0.00 0.46 0.14 -0.22 0.00 0.00 0.00 175.10 175.48 2osg s LEU 78 N 0.01 4.30 -0.05 3.92 0.20 -1.18 -4.83 118.68 121.06 2osg s LEU 78 Ca -0.05 0.37 -0.04 0.00 0.69 0.00 0.00 54.13 55.10 2osg s LEU 78 Cb -0.12 -2.10 0.02 0.00 -0.43 0.00 0.00 46.19 43.55 2osg s LEU 78 CO 0.03 0.29 0.08 0.54 -0.29 0.00 0.00 176.35 177.00 2osg n ARG 79 N 2.75 -3.67 -1.44 1.98 5.12 -1.26 -4.70 116.66 115.43 2osg n ARG 79 Ca -0.18 2.83 -0.46 0.00 -1.93 0.00 0.00 57.85 58.12 2osg n ARG 79 Cb 0.53 -3.81 -0.12 0.00 -1.16 0.00 0.00 32.46 27.90 2osg n ARG 79 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2osg n ASP 80 N 1.32 0.78 -4.40 0.55 2.03 -1.26 -4.84 116.55 110.73 2osg n ASP 80 Ca -0.14 0.25 -0.45 0.00 0.52 0.00 0.00 54.79 54.97 2osg n ASP 80 Cb 0.22 -1.01 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 2osg n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2osg s SER 81 N 8.44 7.02 0.10 1.67 0.15 -1.26 -4.84 113.70 124.98 2osg s SER 81 Ca 1.26 -2.97 -0.14 0.00 0.70 0.00 0.00 55.95 54.80 2osg s SER 81 Cb -1.17 -2.30 -0.11 0.00 -1.71 0.00 0.00 66.02 60.73 2osg s SER 81 CO 0.51 -0.62 1.37 0.25 1.20 0.00 0.00 173.24 175.95 2osg h LEU 82 N 8.47 0.82 0.00 3.45 5.85 -2.02 -3.46 115.31 128.43 2osg h LEU 82 Ca 0.20 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2osg h LEU 82 Cb 0.93 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2osg h LEU 82 CO 1.05 1.20 0.00 1.21 -0.34 0.00 0.00 178.44 181.56