#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2os6 s SER 2 N 0.00 4.57 0.47 1.61 0.01 -1.26 -5.12 113.70 113.98 2os6 s SER 2 Ca 0.00 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2os6 s SER 2 Cb 0.00 -1.34 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 2os6 s SER 2 CO 0.00 0.30 0.02 1.41 0.41 0.00 0.00 173.24 175.37 2os6 n HIS 3 N 2.67 1.00 -1.90 2.43 -0.00 -1.26 -5.09 115.22 113.08 2os6 n HIS 3 Ca -0.18 -2.36 0.10 0.00 -0.00 0.00 0.00 57.72 55.29 2os6 n HIS 3 Cb 0.53 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.99 30.21 2os6 n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2os6 n MET 4 N -1.15 -1.54 -0.63 -0.41 0.00 -1.26 -5.07 117.12 107.06 2os6 n MET 4 Ca -0.18 1.01 0.00 0.00 0.00 0.00 0.00 57.70 58.53 2os6 n MET 4 Cb 0.60 -1.88 0.00 0.00 0.00 0.00 0.00 33.22 31.94 2os6 n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2os6 n GLY 5 N -2.48 -1.14 3.78 3.03 0.00 -1.26 -5.05 105.19 102.08 2os6 n GLY 5 Ca 0.01 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2os6 n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2os6 s LEU 6 N 0.00 4.01 -0.02 0.99 1.02 -1.26 -5.05 118.68 118.37 2os6 s LEU 6 Ca 0.00 2.05 0.01 0.00 0.02 0.00 0.00 54.13 56.21 2os6 s LEU 6 Cb 0.00 -4.33 -0.03 0.00 0.02 0.00 0.00 46.19 41.85 2os6 s LEU 6 CO 0.00 -0.68 -0.00 0.68 0.02 0.00 0.00 176.35 176.37 2os6 s VAL 7 N -1.75 4.17 -0.04 -1.59 -7.23 -1.17 -4.96 120.40 107.84 2os6 s VAL 7 Ca 0.62 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 2os6 s VAL 7 Cb -0.21 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2os6 s VAL 7 CO 0.26 0.43 0.20 -1.10 -0.31 0.00 0.00 175.10 174.59 2os6 s GLN 8 N -1.38 3.50 -0.05 4.82 -0.21 -1.26 -2.16 119.66 122.92 2os6 s GLN 8 Ca 0.18 -0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.34 2os6 s GLN 8 Cb -0.11 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 30.78 2os6 s GLN 8 CO 0.08 0.70 0.14 1.03 -2.12 0.00 0.00 175.29 175.13 2os6 s ARG 9 N -1.58 0.20 -0.15 2.91 0.52 0.18 -4.98 118.95 116.05 2os6 s ARG 9 Ca 0.24 0.14 -0.08 0.00 -0.52 0.00 0.00 55.73 55.50 2os6 s ARG 9 Cb -0.13 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2os6 s ARG 9 CO 0.13 -0.03 0.13 0.00 0.02 0.00 0.00 175.30 175.55 2os6 s VAL 11 N -0.41 1.03 -0.41 0.00 -7.23 0.10 -4.91 120.40 108.57 2os6 s VAL 11 Ca 0.12 -0.46 -0.18 0.00 -1.81 0.00 0.00 61.98 59.65 2os6 s VAL 11 Cb -0.12 -0.93 0.02 0.00 0.56 0.00 0.00 36.38 35.91 2os6 s VAL 11 CO 0.01 0.32 0.50 -0.63 -0.31 0.00 0.00 175.10 174.99 2os6 s ILE 12 N 0.41 5.01 -0.14 -0.62 1.09 -1.26 0.51 121.20 126.20 2os6 s ILE 12 Ca -0.09 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.22 2os6 s ILE 12 Cb -0.13 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.17 2os6 s ILE 12 CO 0.02 -0.42 0.29 -0.63 -0.10 0.00 0.00 174.94 174.10 2os6 s ILE 13 N 2.35 5.30 -0.21 2.92 1.01 0.99 -4.57 121.20 128.98 2os6 s ILE 13 Ca 0.16 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 2os6 s ILE 13 Cb -0.16 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2os6 s ILE 13 CO 0.15 0.42 -0.12 -1.10 0.00 0.00 0.00 174.94 174.29 2os6 s GLN 14 N 0.23 3.08 0.22 2.79 -0.21 -1.26 0.15 119.66 124.66 2os6 s GLN 14 Ca 0.17 -0.79 -0.32 0.00 0.02 0.00 0.00 55.36 54.44 2os6 s GLN 14 Cb -0.13 -2.80 -0.12 0.00 1.00 0.00 0.00 33.01 30.95 2os6 s GLN 14 CO 0.05 -0.25 1.69 1.17 -2.12 0.00 0.00 175.29 175.83 2os6 n LYS 15 N 4.69 2.72 -2.57 2.91 4.81 0.02 -4.59 118.16 126.15 2os6 n LYS 15 Ca -0.19 0.98 -0.07 0.00 -0.87 0.00 0.00 58.31 58.16 2os6 n LYS 15 Cb 0.50 -2.81 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 2os6 n LYS 15 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2os6 n ASP 16 N 3.58 1.96 -0.12 3.14 5.75 -1.26 -4.90 116.55 124.70 2os6 n ASP 16 Ca 0.15 -1.48 0.15 0.00 -0.01 0.00 0.00 54.79 53.60 2os6 n ASP 16 Cb 0.35 0.12 0.53 0.00 -1.03 0.00 0.00 41.12 41.09 2os6 n ASP 16 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2os6 h ASP 17 N 0.29 0.32 -0.62 -1.12 5.19 -2.02 0.97 116.42 119.43 2os6 h ASP 17 Ca -0.09 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2os6 h ASP 17 Cb 0.28 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2os6 h ASP 17 CO 0.14 0.17 0.00 0.59 -3.12 0.00 0.00 179.24 177.02 2os6 n ASN 18 N -4.46 3.79 -0.63 6.45 4.13 -1.26 -5.07 115.26 118.21 2os6 n ASN 18 Ca 0.13 -2.17 0.03 0.00 1.68 0.00 0.00 54.58 54.24 2os6 n ASN 18 Cb 0.51 -0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 38.26 2os6 n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2os6 n GLY 19 N 1.32 -1.57 0.12 7.41 0.00 0.33 -4.37 105.19 108.43 2os6 n GLY 19 Ca 0.22 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2os6 n GLY 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2os6 h PHE 20 N -0.17 -0.18 -4.25 1.61 0.04 -1.89 -3.37 116.94 108.73 2os6 h PHE 20 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2os6 h PHE 20 Cb 0.17 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2os6 h PHE 20 CO 0.00 0.19 -0.01 0.41 -0.60 0.00 0.00 178.31 178.30 2os6 n GLY 21 N -0.12 -0.80 3.25 -1.45 0.00 -1.26 -2.95 105.19 101.86 2os6 n GLY 21 Ca -0.09 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2os6 n GLY 21 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2os6 s LEU 22 N -3.02 0.65 -0.19 0.99 2.34 -1.26 -0.08 118.68 118.11 2os6 s LEU 22 Ca 0.00 0.58 -0.02 0.00 0.06 0.00 0.00 54.13 54.76 2os6 s LEU 22 Cb -0.00 1.27 0.00 0.00 -0.56 0.00 0.00 46.19 46.90 2os6 s LEU 22 CO 0.40 -0.21 -0.11 -0.89 -1.06 0.00 0.00 176.35 174.48 2os6 s THR 23 N -0.17 2.86 0.03 5.48 2.01 0.13 -4.99 115.64 120.98 2os6 s THR 23 Ca -0.03 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.33 2os6 s THR 23 Cb -0.03 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2os6 s THR 23 CO 0.01 0.48 -0.12 0.68 -0.69 0.00 0.00 174.62 174.98 2os6 s VAL 24 N 1.24 0.93 0.28 3.82 -7.23 -1.26 0.06 120.40 118.24 2os6 s VAL 24 Ca 0.03 -0.83 0.12 0.00 -1.81 0.00 0.00 61.98 59.48 2os6 s VAL 24 Cb -0.14 -0.84 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2os6 s VAL 24 CO -0.05 0.02 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.15 2os6 s SER 25 N -0.92 3.73 0.00 4.85 0.01 0.16 -4.90 113.70 116.63 2os6 s SER 25 Ca 0.01 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2os6 s SER 25 Cb -0.07 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2os6 s SER 25 CO 0.01 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2os6 n GLY 26 N -0.67 -2.83 0.08 3.44 0.00 -1.26 -0.03 105.19 103.91 2os6 n GLY 26 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2os6 n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2os6 n ASP 27 N -0.05 0.00 0.14 1.61 5.68 -1.26 -4.75 116.55 117.92 2os6 n ASP 27 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.15 2os6 n ASP 27 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2os6 n ASP 27 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2os6 h ASN 28 N 0.00 -1.28 -2.18 -1.12 4.21 -1.89 -2.99 115.58 110.33 2os6 h ASN 28 Ca 0.00 0.13 -0.78 0.00 1.21 0.00 0.00 56.30 56.85 2os6 h ASN 28 Cb 0.00 0.46 -0.22 0.00 -1.12 0.00 0.00 38.32 37.44 2os6 h ASN 28 CO 0.00 -0.49 1.38 -0.81 -1.29 0.00 0.00 177.43 176.22 2os6 n PRO 29 N -4.97 4.07 -1.67 0.81 -0.04 -1.26 -4.66 135.00 127.28 2os6 n PRO 29 Ca -0.08 -4.06 -0.51 0.00 -0.04 0.00 0.00 63.50 58.81 2os6 n PRO 29 Cb 0.36 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.05 2os6 n PRO 29 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2os6 n VAL 30 N 2.28 0.30 -4.49 0.52 0.31 -0.67 -4.80 118.33 111.77 2os6 n VAL 30 Ca 0.33 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 64.27 2os6 n VAL 30 Cb 0.35 -1.44 -0.12 0.00 -0.91 0.00 0.00 33.84 31.71 2os6 n VAL 30 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2os6 s PHE 31 N 2.72 2.99 -0.21 3.52 2.19 0.95 0.37 117.98 130.51 2os6 s PHE 31 Ca 0.90 -0.26 -0.20 0.00 0.33 0.00 0.00 56.93 57.70 2os6 s PHE 31 Cb -0.84 -1.89 -0.03 0.00 -1.31 0.00 0.00 43.02 38.95 2os6 s PHE 31 CO 0.52 0.03 0.60 0.08 1.83 0.00 0.00 175.22 178.29 2os6 s VAL 32 N 0.10 5.03 -0.16 3.12 1.01 0.94 0.40 120.40 130.85 2os6 s VAL 32 Ca -0.02 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.17 2os6 s VAL 32 Cb -0.14 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.48 2os6 s VAL 32 CO 0.03 0.10 1.10 0.00 0.00 0.00 0.00 175.10 176.34 2os6 n GLN 33 N 5.15 2.46 0.00 2.72 6.02 0.11 -0.34 117.38 133.50 2os6 n GLN 33 Ca -0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 2os6 n GLN 33 Cb 0.50 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2os6 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2os6 n SER 34 N -0.67 0.00 -3.93 1.08 2.88 -0.97 -4.76 113.62 107.26 2os6 n SER 34 Ca 0.08 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 2os6 n SER 34 Cb 0.43 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 2os6 n SER 34 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2os6 s VAL 35 N -0.11 0.21 0.24 2.46 -7.23 -1.26 0.21 120.40 114.92 2os6 s VAL 35 Ca 0.00 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.55 2os6 s VAL 35 Cb 0.00 -0.22 -0.13 0.00 0.56 0.00 0.00 36.38 36.59 2os6 s VAL 35 CO 0.00 -0.07 1.40 0.29 -0.31 0.00 0.00 175.10 176.41 2os6 n LYS 36 N 2.66 2.02 0.08 4.82 5.02 0.89 -4.88 118.16 128.78 2os6 n LYS 36 Ca -0.15 0.72 -0.18 0.00 -2.02 0.00 0.00 58.31 56.68 2os6 n LYS 36 Cb 0.58 -2.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.12 2os6 n LYS 36 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2os6 h GLU 37 N 4.14 0.51 -1.78 1.97 4.81 -1.96 -2.63 114.58 119.63 2os6 h GLU 37 Ca -0.45 -0.65 -0.53 0.00 -0.13 0.00 0.00 59.36 57.60 2os6 h GLU 37 Cb 1.28 0.21 -0.41 0.00 0.63 0.00 0.00 28.75 30.45 2os6 h GLU 37 CO 0.75 1.27 -0.86 -3.47 -0.73 0.00 0.00 179.01 175.96 2os6 n ASP 38 N -3.74 3.40 -0.59 1.04 2.03 -1.26 -4.71 116.55 112.71 2os6 n ASP 38 Ca -0.10 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2os6 n ASP 38 Cb 0.94 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2os6 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2os6 n GLY 39 N -0.20 3.51 0.37 0.27 0.00 -1.26 -5.02 105.19 102.86 2os6 n GLY 39 Ca 0.29 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 45.15 2os6 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2os6 h ALA 40 N 1.47 1.71 -0.14 4.61 0.00 -1.73 0.30 119.26 125.49 2os6 h ALA 40 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2os6 h ALA 40 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2os6 h ALA 40 CO 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.17 2os6 h ALA 41 N 1.57 -0.06 -0.01 0.00 0.00 -1.77 0.40 119.26 119.40 2os6 h ALA 41 Ca 0.44 0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.19 2os6 h ALA 41 Cb 0.57 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.68 2os6 h ALA 41 CO -0.21 -0.60 -0.83 1.98 0.00 0.00 0.00 179.25 179.59 2os6 h MET 42 N -0.18 0.58 -0.58 0.00 -1.53 -1.02 0.73 114.93 112.94 2os6 h MET 42 Ca 0.10 -0.61 0.03 0.00 -3.44 0.00 0.00 59.70 55.77 2os6 h MET 42 Cb 0.32 0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.51 2os6 h MET 42 CO -0.24 1.22 0.38 0.00 0.14 0.00 0.00 176.91 178.41 2os6 h ARG 43 N 0.18 0.66 0.00 0.39 3.08 -0.21 -0.78 114.38 117.70 2os6 h ARG 43 Ca -0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2os6 h ARG 43 Cb 1.51 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2os6 h ARG 43 CO 0.16 0.44 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 2os6 n ALA 44 N -2.46 2.15 -0.40 0.04 0.00 0.14 -4.91 120.51 115.06 2os6 n ALA 44 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2os6 n ALA 44 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2os6 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2os6 n GLY 45 N 1.04 1.13 3.62 0.00 0.00 -0.30 -4.43 105.19 106.26 2os6 n GLY 45 Ca 0.05 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2os6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2os6 s VAL 46 N -2.00 5.17 0.30 1.61 1.01 0.24 -5.02 120.40 121.71 2os6 s VAL 46 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2os6 s VAL 46 Cb 0.00 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2os6 s VAL 46 CO 0.00 0.18 0.32 -1.10 0.00 0.00 0.00 175.10 174.49 2os6 s GLN 47 N 1.89 2.99 0.30 2.72 1.11 -1.26 -4.25 119.66 123.16 2os6 s GLN 47 Ca 0.17 -1.07 -0.29 0.00 0.01 0.00 0.00 55.36 54.17 2os6 s GLN 47 Cb -0.15 -2.65 -0.10 0.00 -1.01 0.00 0.00 33.01 29.10 2os6 s GLN 47 CO 0.09 0.23 1.13 0.99 0.01 0.00 0.00 175.29 177.73 2os6 s THR 48 N -2.17 3.38 0.00 -0.19 2.01 -1.26 -3.56 115.64 113.85 2os6 s THR 48 Ca 0.38 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2os6 s THR 48 Cb -0.08 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2os6 s THR 48 CO 0.28 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2os6 n GLY 49 N 1.09 0.75 3.96 4.40 0.00 0.53 -4.98 105.19 110.94 2os6 n GLY 49 Ca -0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2os6 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2os6 s ASP 50 N -2.63 4.33 -0.48 1.61 1.11 -0.94 -4.84 116.67 114.83 2os6 s ASP 50 Ca 0.00 0.04 0.03 0.00 0.18 0.00 0.00 52.55 52.80 2os6 s ASP 50 Cb 0.00 -0.48 0.15 0.00 1.07 0.00 0.00 42.92 43.66 2os6 s ASP 50 CO 0.00 -1.89 0.33 -0.13 1.18 0.00 0.00 175.17 174.66 2os6 s ARG 51 N -5.28 1.34 -0.07 8.23 0.52 0.86 -0.04 118.95 124.52 2os6 s ARG 51 Ca 0.65 -2.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.30 2os6 s ARG 51 Cb -0.07 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 2os6 s ARG 51 CO 0.46 -1.27 1.43 -1.50 0.02 0.00 0.00 175.30 174.44 2os6 s ILE 52 N -0.07 3.86 -0.12 1.52 -1.16 0.16 0.53 121.20 125.92 2os6 s ILE 52 Ca 0.24 1.12 0.07 0.00 -0.51 0.00 0.00 60.65 61.57 2os6 s ILE 52 Cb -0.10 -3.72 -0.12 0.00 0.61 0.00 0.00 42.46 39.12 2os6 s ILE 52 CO -0.10 -0.06 -0.02 -0.38 -2.81 0.00 0.00 174.94 171.57 2os6 n ILE 53 N 5.14 0.77 -4.26 2.00 5.41 0.13 -1.68 119.36 126.86 2os6 n ILE 53 Ca 0.15 -0.41 -0.20 0.00 1.00 0.00 0.00 62.75 63.28 2os6 n ILE 53 Cb 0.44 -0.81 -0.12 0.00 -0.71 0.00 0.00 39.64 38.45 2os6 n ILE 53 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2os6 s LYS 54 N -2.27 1.07 -0.20 0.38 2.20 0.51 -3.39 119.74 118.04 2os6 s LYS 54 Ca -0.10 -1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 54.24 2os6 s LYS 54 Cb 0.04 -1.09 0.07 0.00 -1.51 0.00 0.00 37.83 35.34 2os6 s LYS 54 CO 0.41 0.23 0.10 0.14 -0.36 0.00 0.00 175.35 175.86 2os6 s VAL 55 N -1.79 -0.04 -1.56 4.02 -7.23 -1.15 0.18 120.40 112.83 2os6 s VAL 55 Ca 0.08 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2os6 s VAL 55 Cb -0.07 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.16 2os6 s VAL 55 CO 0.04 -0.40 0.00 0.59 -0.31 0.00 0.00 175.10 175.02 2os6 n ASN 56 N 5.25 -5.18 0.00 4.85 4.13 0.26 -2.15 115.26 122.42 2os6 n ASN 56 Ca -0.07 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.23 2os6 n ASN 56 Cb 0.47 -4.26 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 2os6 n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2os6 n GLY 57 N -0.99 2.86 3.56 7.41 0.00 -1.26 -4.99 105.19 111.78 2os6 n GLY 57 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2os6 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2os6 s THR 58 N -1.85 4.08 0.56 2.61 -4.23 -0.91 -5.01 115.64 110.89 2os6 s THR 58 Ca 0.00 0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 61.03 2os6 s THR 58 Cb 0.00 -4.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.10 2os6 s THR 58 CO 0.00 -1.32 1.24 -0.22 -0.54 0.00 0.00 174.62 173.78 2os6 s LEU 59 N 4.77 3.78 -0.33 4.79 0.20 -1.26 -2.92 118.68 127.70 2os6 s LEU 59 Ca 0.39 2.48 0.03 0.00 0.69 0.00 0.00 54.13 57.72 2os6 s LEU 59 Cb -0.09 -4.44 0.46 0.00 -0.43 0.00 0.00 46.19 41.69 2os6 s LEU 59 CO 0.23 -1.47 1.68 1.33 -0.29 0.00 0.00 176.35 177.83 2os6 n VAL 60 N -1.23 2.60 0.08 1.68 0.24 -1.22 -4.31 118.33 116.17 2os6 n VAL 60 Ca 0.12 -1.42 -0.13 0.00 -2.04 0.00 0.00 64.34 60.87 2os6 n VAL 60 Cb 0.48 -0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 2os6 n VAL 60 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2os6 h THR 61 N 0.73 1.46 -0.08 3.34 2.02 -1.87 -3.32 112.91 115.18 2os6 h THR 61 Ca 0.45 -2.66 -0.07 0.00 0.77 0.00 0.00 66.41 64.89 2os6 h THR 61 Cb 2.22 2.57 -0.08 0.00 -1.74 0.00 0.00 68.15 71.12 2os6 h THR 61 CO 0.81 0.78 -0.58 0.00 0.37 0.00 0.00 175.52 176.90 2os6 n HIS 62 N -3.66 0.30 -4.60 3.16 1.44 -1.26 -4.91 115.22 105.69 2os6 n HIS 62 Ca -0.06 -1.50 -0.30 0.00 -2.01 0.00 0.00 57.72 53.84 2os6 n HIS 62 Cb 0.88 -0.25 -0.13 0.00 0.12 0.00 0.00 29.99 30.61 2os6 n HIS 62 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2os6 s SER 63 N -3.19 3.66 0.57 4.39 0.01 -1.25 -5.14 113.70 112.76 2os6 s SER 63 Ca 0.39 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2os6 s SER 63 Cb 0.38 -0.50 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2os6 s SER 63 CO -0.07 0.23 0.89 0.21 0.41 0.00 0.00 173.24 174.91 2os6 s ASN 64 N -1.62 5.72 0.07 2.44 2.47 -1.26 -4.85 114.94 117.91 2os6 s ASN 64 Ca 0.15 0.77 -0.30 0.00 0.42 0.00 0.00 52.86 53.90 2os6 s ASN 64 Cb -0.10 -1.82 -0.14 0.00 -1.45 0.00 0.00 41.25 37.73 2os6 s ASN 64 CO 0.06 -0.98 1.47 -0.74 -3.72 0.00 0.00 177.10 173.19 2os6 h HIS 65 N -0.12 -1.21 -0.75 0.43 -0.00 -1.97 -1.77 115.15 109.76 2os6 h HIS 65 Ca -0.46 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 59.99 2os6 h HIS 65 Cb 1.25 0.48 -0.05 0.00 -0.00 0.00 0.00 27.41 29.09 2os6 h HIS 65 CO 0.50 -0.56 0.49 -0.07 -0.00 0.00 0.00 177.93 178.28 2os6 h LEU 66 N -0.83 0.70 -1.00 0.26 4.07 -2.00 -1.80 115.31 114.70 2os6 h LEU 66 Ca -0.05 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.99 2os6 h LEU 66 Cb 0.73 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 2os6 h LEU 66 CO -0.08 0.45 0.65 -0.33 -1.08 0.00 0.00 178.44 178.05 2os6 h GLU 67 N 0.79 1.13 -0.32 1.13 5.08 -1.83 -0.84 114.58 119.72 2os6 h GLU 67 Ca 0.32 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2os6 h GLU 67 Cb 0.25 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2os6 h GLU 67 CO -0.11 0.75 0.04 0.28 -1.00 0.00 0.00 179.01 178.97 2os6 h VAL 68 N 1.16 1.24 0.49 3.13 2.07 -0.46 -1.39 116.25 122.49 2os6 h VAL 68 Ca 0.44 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2os6 h VAL 68 Cb 0.19 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2os6 h VAL 68 CO -0.18 0.28 -0.24 0.58 0.02 0.00 0.00 177.57 178.03 2os6 h VAL 69 N 0.37 0.52 -0.90 2.57 2.07 -1.26 -1.23 116.25 118.37 2os6 h VAL 69 Ca 0.10 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2os6 h VAL 69 Cb 0.36 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 2os6 h VAL 69 CO 0.01 0.00 0.59 0.07 0.02 0.00 0.00 177.57 178.26 2os6 h LYS 70 N -0.67 1.03 -0.12 1.57 2.10 -1.19 0.27 116.57 119.57 2os6 h LYS 70 Ca -0.07 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2os6 h LYS 70 Cb 0.51 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2os6 h LYS 70 CO 0.11 0.68 0.02 1.25 -2.00 0.00 0.00 179.45 179.52 2os6 h LEU 71 N 1.06 0.18 -0.27 7.07 7.12 -1.07 0.36 115.31 129.78 2os6 h LEU 71 Ca 0.38 -0.25 -0.05 0.00 0.13 0.00 0.00 57.88 58.09 2os6 h LEU 71 Cb 0.14 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 2os6 h LEU 71 CO -0.13 0.39 -0.03 0.40 -0.13 0.00 0.00 178.44 178.94 2os6 h ILE 72 N -0.03 1.27 0.00 4.05 2.04 -0.85 -2.92 117.51 121.07 2os6 h ILE 72 Ca 0.04 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 2os6 h ILE 72 Cb 0.28 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2os6 h ILE 72 CO 0.00 0.31 -0.26 0.11 0.00 0.00 0.00 178.15 178.32 2os6 h LYS 73 N 0.25 0.00 -0.53 2.37 1.57 -0.45 -2.92 116.57 116.85 2os6 h LYS 73 Ca 0.07 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 2os6 h LYS 73 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2os6 h LYS 73 CO 0.02 0.26 0.36 0.77 -0.57 0.00 0.00 179.45 180.29 2os6 h SER 74 N 0.00 0.26 -2.60 0.86 0.02 -0.06 -3.42 113.55 108.61 2os6 h SER 74 Ca -0.00 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2os6 h SER 74 Cb 0.58 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 62.95 2os6 h SER 74 CO 0.03 0.16 -0.71 -0.83 -1.14 0.00 0.00 176.83 174.33 2os6 s GLY 75 N -3.86 1.73 0.00 -3.77 0.00 -1.11 -5.07 107.32 95.25 2os6 s GLY 75 Ca -0.07 -1.63 -0.24 0.00 0.00 0.00 0.00 44.72 42.78 2os6 s GLY 75 CO 0.74 -1.68 1.06 1.48 0.00 0.00 0.00 173.10 174.70 2os6 h SER 76 N 2.47 -0.62 -4.27 1.64 4.64 -1.82 -3.46 113.55 112.13 2os6 h SER 76 Ca -0.44 -0.04 -0.68 0.00 -0.47 0.00 0.00 61.79 60.16 2os6 h SER 76 Cb 1.23 0.16 -0.26 0.00 -0.31 0.00 0.00 62.40 63.22 2os6 h SER 76 CO 0.57 -0.24 -0.87 -0.72 -0.87 0.00 0.00 176.83 174.69 2os6 s TYR 77 N -4.44 2.25 -0.02 4.77 1.13 -1.26 -0.80 117.35 118.98 2os6 s TYR 77 Ca -0.13 -0.41 -0.15 0.00 -1.41 0.00 0.00 57.07 54.97 2os6 s TYR 77 Cb 0.02 -1.34 0.02 0.00 -1.10 0.00 0.00 41.96 39.56 2os6 s TYR 77 CO 0.43 0.14 0.32 0.14 -2.51 0.00 0.00 175.55 174.07 2os6 s VAL 78 N -0.83 0.05 0.06 -3.49 -7.23 0.12 -4.97 120.40 104.12 2os6 s VAL 78 Ca 0.11 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.68 2os6 s VAL 78 Cb -0.10 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.16 2os6 s VAL 78 CO 0.02 -0.24 0.49 0.00 -0.31 0.00 0.00 175.10 175.06 2os6 s ALA 79 N -1.26 3.64 -0.05 1.32 0.00 -1.26 -0.01 121.76 124.14 2os6 s ALA 79 Ca -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2os6 s ALA 79 Cb -0.05 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.60 2os6 s ALA 79 CO 0.04 0.45 -0.05 -0.51 0.00 0.00 0.00 175.76 175.69 2os6 s LEU 80 N -1.31 1.30 -0.41 0.00 1.02 0.18 0.92 118.68 120.37 2os6 s LEU 80 Ca 0.29 -0.16 -0.20 0.00 0.02 0.00 0.00 54.13 54.08 2os6 s LEU 80 Cb -0.17 -0.52 0.02 0.00 0.02 0.00 0.00 46.19 45.54 2os6 s LEU 80 CO 0.17 -0.06 0.62 -0.89 0.02 0.00 0.00 176.35 176.21 2os6 s THR 81 N 1.02 4.87 0.48 5.49 2.01 0.13 0.00 115.64 129.64 2os6 s THR 81 Ca -0.09 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.15 2os6 s THR 81 Cb -0.14 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2os6 s THR 81 CO -0.00 -0.50 0.03 0.68 -0.69 0.00 0.00 174.62 174.14 2os6 s VAL 82 N 2.73 1.45 0.04 3.82 -7.23 0.11 0.18 120.40 121.51 2os6 s VAL 82 Ca 0.22 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2os6 s VAL 82 Cb -0.14 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2os6 s VAL 82 CO 0.17 0.00 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.32 2os6 s GLN 83 N -3.85 0.50 0.00 4.82 0.74 0.19 0.51 119.66 122.57 2os6 s GLN 83 Ca 0.16 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.82 2os6 s GLN 83 Cb 0.04 -0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.94 2os6 s GLN 83 CO 0.08 0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 2os6 n GLY 84 N 1.43 2.92 0.42 2.59 0.00 -0.92 -0.10 105.19 111.54 2os6 n GLY 84 Ca -0.23 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2os6 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2os6 n ARG 85 N 0.00 0.00 -1.79 1.61 5.12 -1.26 -3.05 116.66 117.29 2os6 n ARG 85 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 2os6 n ARG 85 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 2os6 n ARG 85 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2os6 s PRO 86 N -1.85 3.33 -0.27 5.56 0.04 -1.26 -4.93 135.00 135.61 2os6 s PRO 86 Ca 0.00 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2os6 s PRO 86 Cb 0.00 -4.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 2os6 s PRO 86 CO 0.00 -1.87 1.64 -1.25 0.04 0.00 0.00 177.00 175.56 2os6 s PRO 87 N 5.83 3.65 -0.77 0.56 0.04 -1.26 -4.92 135.00 138.14 2os6 s PRO 87 Ca 0.90 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2os6 s PRO 87 Cb -0.29 -4.07 0.36 0.00 0.04 0.00 0.00 34.50 30.53 2os6 s PRO 87 CO 0.35 -1.47 1.73 0.41 0.04 0.00 0.00 177.00 178.06 2os6 n GLY 88 N 4.90 5.73 3.74 0.56 0.00 -1.26 -5.24 105.19 113.63 2os6 n GLY 88 Ca 0.20 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.64 2os6 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06