#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2os6 n SER 2 N 0.00 -1.21 -3.07 1.61 3.41 -1.26 -5.06 113.62 108.04 2os6 n SER 2 Ca 0.00 -1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 57.32 2os6 n SER 2 Cb 0.00 -0.77 0.14 0.00 -0.26 0.00 0.00 64.21 63.32 2os6 n SER 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2os6 n HIS 3 N -4.01 -3.47 -3.51 7.33 -0.00 -1.26 -5.00 115.22 105.30 2os6 n HIS 3 Ca 0.12 -0.53 -0.42 0.00 -0.00 0.00 0.00 57.72 56.88 2os6 n HIS 3 Cb 0.45 -0.62 -0.10 0.00 -0.00 0.00 0.00 29.99 29.72 2os6 n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2os6 s MET 4 N -4.34 2.83 -0.13 1.57 1.00 -1.26 -4.89 119.30 114.07 2os6 s MET 4 Ca 0.38 -1.26 0.09 0.00 0.00 0.00 0.00 55.69 54.90 2os6 s MET 4 Cb -0.04 -3.91 -0.15 0.00 0.00 0.00 0.00 34.83 30.74 2os6 s MET 4 CO 0.29 -0.88 0.00 0.41 0.00 0.00 0.00 175.02 174.85 2os6 n GLY 5 N 5.06 -0.54 3.60 -0.03 0.00 -1.26 -5.06 105.19 106.96 2os6 n GLY 5 Ca -0.11 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.15 2.07 -0.24 0.99 1.43 -1.26 -5.14 118.68 111.38 2os6 s LEU 6 Ca -0.10 -1.70 -0.09 0.00 -1.03 0.00 0.00 54.13 51.21 2os6 s LEU 6 Cb 0.04 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 2os6 s LEU 6 CO 0.49 -0.94 0.13 -0.69 0.23 0.00 0.00 176.35 175.56 2os6 s VAL 7 N -3.10 5.02 0.02 -1.59 1.01 -1.24 -5.04 120.40 115.49 2os6 s VAL 7 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2os6 s VAL 7 Cb 0.02 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2os6 s VAL 7 CO 0.11 0.34 0.22 -1.58 0.00 0.00 0.00 175.10 174.19 2os6 s GLN 8 N 1.20 3.48 -0.08 2.72 0.74 -1.26 -2.24 119.66 124.22 2os6 s GLN 8 Ca 0.06 -0.28 -0.12 0.00 0.05 0.00 0.00 55.36 55.07 2os6 s GLN 8 Cb -0.14 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 30.93 2os6 s GLN 8 CO 0.05 0.64 0.30 0.50 -0.55 0.00 0.00 175.29 176.23 2os6 s ARG 9 N -2.09 0.46 -0.09 1.67 3.52 0.14 -4.98 118.95 117.58 2os6 s ARG 9 Ca 0.30 0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 56.08 2os6 s ARG 9 Cb -0.13 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 2os6 s ARG 9 CO 0.21 -0.09 -0.01 0.00 -0.81 0.00 0.00 175.30 174.60 2os6 s VAL 11 N -0.67 0.80 -0.16 0.00 -7.23 0.11 -4.94 120.40 108.32 2os6 s VAL 11 Ca 0.11 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.84 2os6 s VAL 11 Cb -0.12 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 2os6 s VAL 11 CO 0.02 0.28 0.33 -0.63 -0.31 0.00 0.00 175.10 174.79 2os6 s ILE 12 N 0.75 5.27 -0.10 -0.62 1.09 -1.26 0.89 121.20 127.22 2os6 s ILE 12 Ca -0.13 0.63 0.04 0.00 -1.10 0.00 0.00 60.65 60.09 2os6 s ILE 12 Cb -0.15 -3.67 -0.00 0.00 -1.06 0.00 0.00 42.46 37.58 2os6 s ILE 12 CO 0.02 0.36 -0.23 -0.63 -0.10 0.00 0.00 174.94 174.35 2os6 s ILE 13 N 0.62 2.14 -0.35 2.92 1.01 0.10 -4.70 121.20 122.94 2os6 s ILE 13 Ca 0.18 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 2os6 s ILE 13 Cb -0.14 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.53 2os6 s ILE 13 CO 0.05 0.56 0.21 -1.58 0.00 0.00 0.00 174.94 174.18 2os6 s GLN 14 N 0.26 3.12 0.43 2.79 0.74 -1.26 0.17 119.66 125.91 2os6 s GLN 14 Ca -0.16 -0.89 -0.25 0.00 0.05 0.00 0.00 55.36 54.11 2os6 s GLN 14 Cb -0.17 -3.73 -0.08 0.00 1.10 0.00 0.00 33.01 30.13 2os6 s GLN 14 CO 0.08 -0.58 1.35 0.21 -0.55 0.00 0.00 175.29 175.80 2os6 s LYS 15 N 1.62 3.80 0.14 1.67 2.20 0.18 -4.92 119.74 124.44 2os6 s LYS 15 Ca 0.04 2.24 0.03 0.00 -0.36 0.00 0.00 55.97 57.92 2os6 s LYS 15 Cb -0.18 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2os6 s LYS 15 CO 0.08 -0.66 0.12 -0.25 -0.36 0.00 0.00 175.35 174.28 2os6 n ASP 16 N -0.10 -0.32 0.01 1.43 8.00 -1.26 -4.84 116.55 119.48 2os6 n ASP 16 Ca 0.05 -1.94 0.10 0.00 0.71 0.00 0.00 54.79 53.70 2os6 n ASP 16 Cb 0.43 0.73 0.52 0.00 -0.02 0.00 0.00 41.12 42.79 2os6 n ASP 16 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2os6 h ASP 17 N 0.88 0.30 1.27 -2.24 5.19 -2.02 0.23 116.42 120.03 2os6 h ASP 17 Ca -0.10 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2os6 h ASP 17 Cb 0.52 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2os6 h ASP 17 CO 0.15 0.20 -0.15 0.59 -3.12 0.00 0.00 179.24 176.91 2os6 n ASN 18 N -4.48 0.70 0.00 6.45 4.13 -1.26 -5.05 115.26 115.75 2os6 n ASN 18 Ca 0.05 0.45 0.00 0.00 1.68 0.00 0.00 54.58 56.76 2os6 n ASN 18 Cb 0.25 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 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 1.34 -1.97 0.07 7.41 0.00 0.07 -4.70 105.19 107.40 2os6 n GLY 19 Ca 0.05 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.00 -2.58 1.61 0.04 -1.91 -3.37 116.94 110.73 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 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2os6 h PHE 20 CO 0.00 0.78 0.00 0.41 -0.60 0.00 0.00 178.31 178.90 2os6 n GLY 21 N 1.63 0.81 3.25 -1.45 0.00 -1.26 -2.93 105.19 105.24 2os6 n GLY 21 Ca -0.10 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.58 0.72 -0.13 0.99 0.05 -1.26 0.79 118.68 117.25 2os6 s LEU 22 Ca 0.00 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.59 2os6 s LEU 22 Cb 0.00 1.27 -0.01 0.00 -2.05 0.00 0.00 46.19 45.40 2os6 s LEU 22 CO 0.00 -0.29 -0.14 -0.89 -0.55 0.00 0.00 176.35 174.48 2os6 s THR 23 N -0.59 2.99 0.02 5.48 2.01 0.12 -5.00 115.64 120.66 2os6 s THR 23 Ca -0.07 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2os6 s THR 23 Cb -0.04 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 2os6 s THR 23 CO 0.03 0.52 -0.15 0.68 -0.69 0.00 0.00 174.62 175.01 2os6 s VAL 24 N 0.39 1.16 0.05 3.82 -7.23 -1.26 0.32 120.40 117.64 2os6 s VAL 24 Ca -0.11 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 2os6 s VAL 24 Cb -0.16 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 2os6 s VAL 24 CO 0.05 0.17 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.54 2os6 s SER 25 N -0.75 0.53 0.00 4.85 0.01 0.79 -4.89 113.70 114.24 2os6 s SER 25 Ca 0.04 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2os6 s SER 25 Cb -0.07 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2os6 s SER 25 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2os6 n GLY 26 N 0.22 -1.05 0.00 3.44 0.00 -1.26 0.01 105.19 106.54 2os6 n GLY 26 Ca -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.79 0.60 0.00 1.61 5.75 -1.26 -4.52 116.55 116.94 2os6 n ASP 27 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 2os6 n ASP 27 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2os6 n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2os6 n ASN 28 N -1.56 0.00 -3.02 -1.12 4.13 -1.26 0.17 115.26 112.61 2os6 n ASN 28 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 2os6 n ASN 28 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2os6 n ASN 28 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2os6 n PRO 29 N 0.00 3.13 -1.56 3.52 -0.04 -1.26 -4.54 135.00 134.25 2os6 n PRO 29 Ca 0.00 -1.84 -0.46 0.00 -0.04 0.00 0.00 63.50 61.16 2os6 n PRO 29 Cb 0.00 -2.58 -0.02 0.00 -0.04 0.00 0.00 33.50 30.86 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 3.42 1.71 -4.73 0.52 0.31 0.13 -4.75 118.33 114.94 2os6 n VAL 30 Ca 0.67 -0.43 -0.33 0.00 -0.01 0.00 0.00 64.34 64.24 2os6 n VAL 30 Cb 0.36 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 32.34 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 -0.83 2.84 -0.50 3.52 2.19 0.10 0.81 117.98 126.11 2os6 s PHE 31 Ca 0.63 -0.55 -0.27 0.00 0.33 0.00 0.00 56.93 57.07 2os6 s PHE 31 Cb -0.78 -1.85 0.03 0.00 -1.31 0.00 0.00 43.02 39.12 2os6 s PHE 31 CO 0.57 -0.15 1.04 0.08 1.83 0.00 0.00 175.22 178.59 2os6 s VAL 32 N 0.27 4.30 0.02 3.12 1.01 0.16 -0.15 120.40 129.13 2os6 s VAL 32 Ca -0.08 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 2os6 s VAL 32 Cb -0.15 -4.55 -0.09 0.00 0.00 0.00 0.00 36.38 31.58 2os6 s VAL 32 CO 0.05 -1.03 1.17 -0.61 0.00 0.00 0.00 175.10 174.68 2os6 h GLN 33 N 9.25 -0.57 -3.90 2.72 4.15 -0.43 -2.35 115.11 123.98 2os6 h GLN 33 Ca -0.24 0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.11 2os6 h GLN 33 Cb 1.07 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 28.73 2os6 h GLN 33 CO 1.10 -0.38 -0.48 -1.12 -1.93 0.00 0.00 178.83 176.01 2os6 s SER 34 N -3.03 0.22 0.07 -0.69 0.01 -1.22 -3.17 113.70 105.89 2os6 s SER 34 Ca -0.09 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.50 2os6 s SER 34 Cb 0.01 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2os6 s SER 34 CO 0.26 -0.64 -0.09 0.68 0.41 0.00 0.00 173.24 173.86 2os6 s VAL 35 N -3.53 0.73 -0.09 3.43 -7.23 -1.26 0.11 120.40 112.55 2os6 s VAL 35 Ca 0.03 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 2os6 s VAL 35 Cb 0.04 -1.03 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 2os6 s VAL 35 CO -0.09 -0.50 2.07 -0.54 -0.31 0.00 0.00 175.10 175.74 2os6 s LYS 36 N -2.30 3.65 0.54 4.82 -0.14 0.24 -4.83 119.74 121.72 2os6 s LYS 36 Ca -0.01 2.30 0.20 0.00 -1.36 0.00 0.00 55.97 57.10 2os6 s LYS 36 Cb -0.06 -4.26 1.42 0.00 -1.68 0.00 0.00 37.83 33.26 2os6 s LYS 36 CO -0.00 -1.51 2.18 1.49 -0.76 0.00 0.00 175.35 176.74 2os6 h GLU 37 N 12.70 0.00 -1.86 1.68 4.81 -1.97 -2.91 114.58 127.02 2os6 h GLU 37 Ca -0.45 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.28 2os6 h GLU 37 Cb 1.24 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.21 2os6 h GLU 37 CO 0.95 0.01 -0.99 -3.47 -0.73 0.00 0.00 179.01 174.78 2os6 n ASP 38 N -4.34 2.42 -0.81 1.04 -0.08 -1.26 -4.76 116.55 108.76 2os6 n ASP 38 Ca -0.03 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 2os6 n ASP 38 Cb 0.09 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 42.98 2os6 n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2os6 n GLY 39 N -0.01 3.47 0.36 0.27 0.00 -1.17 -5.02 105.19 103.09 2os6 n GLY 39 Ca 0.26 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 1.38 1.52 0.00 4.61 0.00 -1.80 0.31 119.26 125.28 2os6 h ALA 40 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2os6 h ALA 40 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2os6 h ALA 40 CO 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 179.28 2os6 h ALA 41 N 1.55 -0.18 -0.28 0.00 0.00 -1.77 0.31 119.26 118.89 2os6 h ALA 41 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 2os6 h ALA 41 Cb 0.54 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2os6 h ALA 41 CO -0.28 -0.64 -0.25 1.98 0.00 0.00 0.00 179.25 180.06 2os6 h MET 42 N -0.25 0.66 -0.73 0.00 -1.53 -1.20 -0.48 114.93 111.40 2os6 h MET 42 Ca 0.05 -0.34 0.05 0.00 -3.44 0.00 0.00 59.70 56.02 2os6 h MET 42 Cb 0.31 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.33 2os6 h MET 42 CO -0.14 0.94 0.48 -0.09 0.14 0.00 0.00 176.91 178.24 2os6 h ARG 43 N 0.40 0.80 0.00 0.39 1.12 -0.16 -0.48 114.38 116.44 2os6 h ARG 43 Ca 0.05 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2os6 h ARG 43 Cb 0.80 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 2os6 h ARG 43 CO 0.06 0.53 0.00 0.00 -3.11 0.00 0.00 179.97 177.45 2os6 n ALA 44 N -2.44 1.97 0.00 2.80 0.00 0.11 -4.89 120.51 118.05 2os6 n ALA 44 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2os6 n ALA 44 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.65 0.56 3.77 0.00 0.00 -0.19 -4.68 105.19 105.30 2os6 n GLY 45 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 3.19 0.18 1.61 1.01 -0.20 -4.97 120.40 119.22 2os6 s VAL 46 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2os6 s VAL 46 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2os6 s VAL 46 CO 0.00 -0.08 -0.01 -1.58 0.00 0.00 0.00 175.10 173.43 2os6 s GLN 47 N -2.94 1.15 0.30 2.72 -0.44 -1.26 -4.00 119.66 115.18 2os6 s GLN 47 Ca 0.67 -1.55 -0.29 0.00 -2.50 0.00 0.00 55.36 51.69 2os6 s GLN 47 Cb -0.26 -0.37 -0.10 0.00 -1.64 0.00 0.00 33.01 30.64 2os6 s GLN 47 CO 0.31 -0.10 1.38 0.99 0.50 0.00 0.00 175.29 178.36 2os6 s THR 48 N -3.58 2.64 0.00 -0.34 2.01 -1.26 -4.00 115.64 111.11 2os6 s THR 48 Ca 0.24 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2os6 s THR 48 Cb 0.06 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.19 2os6 s THR 48 CO 0.04 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2os6 n GLY 49 N 1.38 0.72 3.74 4.40 0.00 -0.92 -5.02 105.19 109.49 2os6 n GLY 49 Ca 0.03 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.70 4.30 -0.53 1.61 1.01 -0.98 -4.88 116.67 114.50 2os6 s ASP 50 Ca 0.00 -1.24 0.04 0.00 0.71 0.00 0.00 52.55 52.05 2os6 s ASP 50 Cb 0.00 -0.20 0.15 0.00 1.01 0.00 0.00 42.92 43.88 2os6 s ASP 50 CO 0.00 -0.64 0.35 -0.60 0.21 0.00 0.00 175.17 174.49 2os6 s ARG 51 N -3.91 1.65 -0.08 8.23 3.52 0.85 0.39 118.95 129.61 2os6 s ARG 51 Ca 0.34 -2.53 -0.30 0.00 -0.13 0.00 0.00 55.73 53.11 2os6 s ARG 51 Cb 0.04 -2.56 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 2os6 s ARG 51 CO 0.18 -1.25 1.54 -1.50 -0.81 0.00 0.00 175.30 173.47 2os6 s ILE 52 N -0.37 3.75 -0.14 4.11 -1.16 0.24 0.65 121.20 128.28 2os6 s ILE 52 Ca 0.23 0.93 0.08 0.00 -0.51 0.00 0.00 60.65 61.38 2os6 s ILE 52 Cb -0.11 -3.60 -0.14 0.00 0.61 0.00 0.00 42.46 39.22 2os6 s ILE 52 CO -0.10 -0.08 -0.02 -0.38 -2.81 0.00 0.00 174.94 171.55 2os6 n ILE 53 N 5.39 0.91 -4.17 2.00 5.41 0.13 -1.10 119.36 127.93 2os6 n ILE 53 Ca 0.16 -0.48 -0.10 0.00 1.00 0.00 0.00 62.75 63.32 2os6 n ILE 53 Cb 0.43 -0.81 -0.10 0.00 -0.71 0.00 0.00 39.64 38.46 2os6 n ILE 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2os6 s LYS 54 N -2.32 0.93 -0.19 0.38 1.02 0.48 -3.34 119.74 116.69 2os6 s LYS 54 Ca -0.12 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.39 2os6 s LYS 54 Cb 0.04 0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.50 2os6 s LYS 54 CO 0.48 -0.19 0.09 0.14 -0.92 0.00 0.00 175.35 174.94 2os6 s VAL 55 N -3.90 0.01 -1.62 3.17 -7.23 -0.74 0.72 120.40 110.81 2os6 s VAL 55 Ca 0.21 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2os6 s VAL 55 Cb 0.07 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.30 2os6 s VAL 55 CO 0.00 -0.35 0.23 -3.20 -0.31 0.00 0.00 175.10 171.47 2os6 n ASN 56 N 5.24 -5.79 0.00 4.85 5.15 0.25 -1.92 115.26 123.04 2os6 n ASN 56 Ca -0.07 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2os6 n ASN 56 Cb 0.48 -4.73 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 2os6 n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2os6 n GLY 57 N -1.20 2.66 3.61 8.20 0.00 -1.26 -4.98 105.19 112.21 2os6 n GLY 57 Ca -0.19 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2os6 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2os6 s THR 58 N -1.41 3.82 0.60 2.61 2.01 -0.81 -4.99 115.64 117.48 2os6 s THR 58 Ca 0.00 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 2os6 s THR 58 Cb 0.00 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2os6 s THR 58 CO 0.00 -0.57 1.21 -0.76 -0.69 0.00 0.00 174.62 173.80 2os6 s LEU 59 N 5.54 3.63 -0.11 4.42 1.43 -1.26 -1.79 118.68 130.55 2os6 s LEU 59 Ca 0.66 2.38 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 2os6 s LEU 59 Cb -0.18 -4.60 0.39 0.00 0.03 0.00 0.00 46.19 41.84 2os6 s LEU 59 CO 0.31 -1.65 1.12 1.33 0.23 0.00 0.00 176.35 177.69 2os6 n VAL 60 N -1.69 1.27 -0.01 -1.59 0.24 -1.21 -3.92 118.33 111.42 2os6 n VAL 60 Ca 0.14 -0.66 -0.17 0.00 -2.04 0.00 0.00 64.34 61.60 2os6 n VAL 60 Cb 0.50 -0.34 -0.14 0.00 -1.47 0.00 0.00 33.84 32.38 2os6 n VAL 60 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2os6 n THR 61 N 0.32 1.71 -0.00 3.34 -2.24 -1.26 -4.07 114.28 112.07 2os6 n THR 61 Ca 0.13 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2os6 n THR 61 Cb 0.68 -1.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.28 2os6 n THR 61 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2os6 h HIS 62 N 0.05 0.15 -4.19 4.78 6.17 -1.99 -3.48 115.15 116.65 2os6 h HIS 62 Ca -0.40 -0.11 -0.49 0.00 0.71 0.00 0.00 60.37 60.08 2os6 h HIS 62 Cb 2.03 -0.01 0.06 0.00 2.52 0.00 0.00 27.41 32.01 2os6 h HIS 62 CO 0.05 1.22 0.38 -1.12 0.71 0.00 0.00 177.93 179.17 2os6 s SER 63 N -6.42 5.89 0.63 3.26 0.01 -1.25 -5.07 113.70 110.75 2os6 s SER 63 Ca -0.09 1.79 0.02 0.00 1.31 0.00 0.00 55.95 58.98 2os6 s SER 63 Cb 0.08 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.89 2os6 s SER 63 CO 0.81 -1.09 0.79 0.59 0.41 0.00 0.00 173.24 174.75 2os6 n ASN 64 N -1.96 1.28 0.30 2.44 3.02 -1.26 -4.88 115.26 114.20 2os6 n ASN 64 Ca 0.08 -2.03 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 2os6 n ASN 64 Cb 0.53 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 2os6 n ASN 64 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2os6 h HIS 65 N -0.41 -0.74 0.00 3.10 -0.00 -1.97 -1.45 115.15 113.68 2os6 h HIS 65 Ca -0.26 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.02 2os6 h HIS 65 Cb 1.02 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.67 2os6 h HIS 65 CO 0.00 -0.46 -0.33 -0.07 -0.00 0.00 0.00 177.93 177.07 2os6 h LEU 66 N -1.12 0.00 0.04 0.26 4.07 -2.00 -3.02 115.31 113.55 2os6 h LEU 66 Ca -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2os6 h LEU 66 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2os6 h LEU 66 CO 0.13 0.33 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.73 2os6 h GLU 67 N 0.00 -0.05 -0.52 1.13 4.81 -1.95 -1.45 114.58 116.54 2os6 h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2os6 h GLU 67 Cb 0.80 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2os6 h GLU 67 CO 0.04 0.34 0.34 -0.24 -0.73 0.00 0.00 179.01 178.76 2os6 h VAL 68 N -0.45 1.14 -0.39 0.32 3.04 -1.26 -0.71 116.25 117.95 2os6 h VAL 68 Ca -0.01 -0.28 -0.05 0.00 -1.01 0.00 0.00 66.70 65.36 2os6 h VAL 68 Cb 0.41 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2os6 h VAL 68 CO 0.01 0.14 0.05 1.62 -1.01 0.00 0.00 177.57 178.38 2os6 h VAL 69 N 0.71 1.24 -0.80 1.51 3.04 -1.58 -1.10 116.25 119.27 2os6 h VAL 69 Ca 0.19 -0.89 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2os6 h VAL 69 Cb -0.06 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 2os6 h VAL 69 CO -0.04 0.30 0.48 0.50 -1.01 0.00 0.00 177.57 177.80 2os6 h LYS 70 N 0.49 1.09 -0.28 4.17 1.63 -1.06 0.26 116.57 122.86 2os6 h LYS 70 Ca 0.12 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2os6 h LYS 70 Cb 0.39 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2os6 h LYS 70 CO 0.01 0.77 0.02 -0.07 -3.45 0.00 0.00 179.45 176.74 2os6 h LEU 71 N 1.10 0.47 -0.56 5.20 -0.00 -0.97 -0.27 115.31 120.28 2os6 h LEU 71 Ca 0.29 -0.28 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 2os6 h LEU 71 Cb -0.03 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 2os6 h LEU 71 CO -0.05 0.64 -0.06 0.40 -0.00 0.00 0.00 178.44 179.37 2os6 h ILE 72 N 0.29 1.27 -0.06 1.22 2.04 -0.94 -2.89 117.51 118.44 2os6 h ILE 72 Ca 0.08 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 2os6 h ILE 72 Cb 0.38 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2os6 h ILE 72 CO 0.01 0.43 -0.37 0.11 0.00 0.00 0.00 178.15 178.33 2os6 h LYS 73 N 0.90 0.12 -3.55 2.37 6.56 -0.41 -3.32 116.57 119.24 2os6 h LYS 73 Ca 0.15 -0.05 -0.71 0.00 -1.06 0.00 0.00 60.65 58.98 2os6 h LYS 73 Cb 0.62 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.23 2os6 h LYS 73 CO 0.04 0.48 3.15 -1.13 -2.06 0.00 0.00 179.45 179.92 2os6 n SER 74 N -4.08 5.72 0.00 0.86 3.41 -0.12 -4.82 113.62 114.59 2os6 n SER 74 Ca -0.02 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2os6 n SER 74 Cb 0.43 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 2os6 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2os6 n GLY 75 N 3.61 1.33 0.12 5.00 0.00 -1.25 -4.95 105.19 109.05 2os6 n GLY 75 Ca 0.59 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2os6 n GLY 75 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2os6 h SER 76 N 0.00 -0.15 -3.90 1.61 0.87 -1.88 -3.46 113.55 106.64 2os6 h SER 76 Ca 0.00 -0.40 -0.37 0.00 -1.23 0.00 0.00 61.79 59.79 2os6 h SER 76 Cb 0.00 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 61.86 2os6 h SER 76 CO 0.00 0.42 -0.67 -0.72 -0.53 0.00 0.00 176.83 175.33 2os6 s TYR 77 N -3.40 1.49 -0.09 2.24 1.13 -1.26 0.52 117.35 117.98 2os6 s TYR 77 Ca -0.13 -0.89 -0.20 0.00 -1.41 0.00 0.00 57.07 54.44 2os6 s TYR 77 Cb 0.00 -0.84 0.04 0.00 -1.10 0.00 0.00 41.96 40.06 2os6 s TYR 77 CO 0.50 -0.02 0.48 0.54 -2.51 0.00 0.00 175.55 174.54 2os6 s VAL 78 N -3.40 0.02 0.04 -3.49 0.11 0.13 -4.94 120.40 108.87 2os6 s VAL 78 Ca 0.26 -0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 2os6 s VAL 78 Cb 0.05 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 34.09 2os6 s VAL 78 CO 0.07 -0.09 0.43 0.00 -3.33 0.00 0.00 175.10 172.18 2os6 s ALA 79 N -0.68 3.69 -0.18 1.54 0.00 -1.26 0.02 121.76 124.88 2os6 s ALA 79 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2os6 s ALA 79 Cb -0.03 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.75 2os6 s ALA 79 CO 0.04 0.50 -0.08 -0.51 0.00 0.00 0.00 175.76 175.71 2os6 s LEU 80 N -1.39 1.91 -0.58 0.00 1.02 0.26 0.85 118.68 120.74 2os6 s LEU 80 Ca 0.28 -0.75 -0.21 0.00 0.02 0.00 0.00 54.13 53.48 2os6 s LEU 80 Cb -0.16 -1.07 0.07 0.00 0.02 0.00 0.00 46.19 45.05 2os6 s LEU 80 CO 0.15 -0.16 0.78 -0.89 0.02 0.00 0.00 176.35 176.26 2os6 s THR 81 N 1.52 4.64 0.49 5.49 2.01 0.22 0.09 115.64 130.10 2os6 s THR 81 Ca 0.00 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2os6 s THR 81 Cb -0.15 -4.49 -0.01 0.00 0.01 0.00 0.00 72.50 67.85 2os6 s THR 81 CO -0.08 -1.12 0.14 0.68 -0.69 0.00 0.00 174.62 173.54 2os6 s VAL 82 N 3.21 1.58 0.02 3.82 -7.23 0.11 0.20 120.40 122.10 2os6 s VAL 82 Ca 0.18 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2os6 s VAL 82 Cb -0.19 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2os6 s VAL 82 CO 0.11 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.28 2os6 s GLN 83 N -3.97 0.32 0.00 4.82 0.74 0.21 0.28 119.66 122.06 2os6 s GLN 83 Ca 0.22 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.10 2os6 s GLN 83 Cb 0.02 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.12 2os6 s GLN 83 CO 0.13 -0.02 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 2os6 n GLY 84 N 1.84 2.60 3.82 2.59 0.00 -0.95 -0.10 105.19 114.98 2os6 n GLY 84 Ca -0.22 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2os6 n GLY 84 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2os6 s ARG 85 N -1.26 3.17 0.18 1.61 3.03 -1.26 -3.66 118.95 120.75 2os6 s ARG 85 Ca 0.00 -0.44 -0.15 0.00 2.03 0.00 0.00 55.73 57.16 2os6 s ARG 85 Cb 0.00 -2.93 0.14 0.00 -1.03 0.00 0.00 34.95 31.13 2os6 s ARG 85 CO 0.00 0.65 1.67 -1.35 -1.13 0.00 0.00 175.30 175.15 2os6 h PRO 86 N 4.00 0.04 -6.64 3.89 0.11 -2.02 -3.41 132.00 127.97 2os6 h PRO 86 Ca -0.49 -0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 2os6 h PRO 86 Cb 1.18 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2os6 h PRO 86 CO 0.64 0.03 0.49 -1.25 -0.21 0.00 0.00 178.00 177.70 2os6 s PRO 87 N -6.20 4.57 -0.30 1.05 0.04 -1.26 -5.02 135.00 127.88 2os6 s PRO 87 Ca -0.14 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 2os6 s PRO 87 Cb 0.15 -3.28 0.19 0.00 0.04 0.00 0.00 34.50 31.60 2os6 s PRO 87 CO 0.72 0.03 0.96 0.20 0.04 0.00 0.00 177.00 178.95 2os6 s GLY 88 N 0.03 -0.90 0.00 0.56 0.00 -1.26 -5.19 107.32 100.56 2os6 s GLY 88 Ca 0.51 2.03 0.00 0.00 0.00 0.00 0.00 44.72 47.26 2os6 s GLY 88 CO 0.35 3.98 0.00 1.44 0.00 0.00 0.00 173.10 178.87