#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s TRP 2 N 0.00 3.42 0.58 0.66 1.48 -1.26 -5.06 118.94 118.76 2otl s TRP 2 Ca 0.00 0.95 -0.15 0.00 -1.06 0.00 0.00 56.10 55.85 2otl s TRP 2 Cb 0.00 -2.76 -0.05 0.00 -1.16 0.00 0.00 33.47 29.50 2otl s TRP 2 CO 0.00 -0.09 1.03 -0.51 -4.06 0.00 0.00 176.95 173.32 2otl s ASP 3 N 1.07 6.09 -0.09 -2.66 1.01 -1.26 -5.02 116.67 115.82 2otl s ASP 3 Ca 0.29 1.65 -0.24 0.00 0.71 0.00 0.00 52.55 54.97 2otl s ASP 3 Cb -0.16 -2.51 -0.20 0.00 1.01 0.00 0.00 42.92 41.06 2otl s ASP 3 CO 0.11 -0.95 0.84 0.58 0.21 0.00 0.00 175.17 175.96 2otl h VAL 4 N 0.37 1.28 -3.62 -1.27 2.07 -1.97 -3.41 116.25 109.70 2otl h VAL 4 Ca -0.46 -1.62 -0.62 0.00 0.82 0.00 0.00 66.70 64.82 2otl h VAL 4 Cb 1.20 2.27 -0.13 0.00 -1.52 0.00 0.00 31.29 33.11 2otl h VAL 4 CO 0.59 0.38 -0.09 -0.63 0.02 0.00 0.00 177.57 177.84 2otl s ILE 5 N -2.96 5.10 -0.08 4.57 1.01 -1.26 -2.15 121.20 125.43 2otl s ILE 5 Ca -0.15 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.28 2otl s ILE 5 Cb -0.01 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2otl s ILE 5 CO 0.57 0.11 -0.02 0.11 0.00 0.00 0.00 174.94 175.71 2otl h LYS 6 N 8.03 0.00 -2.19 2.79 1.57 -1.49 -3.49 116.57 121.79 2otl h LYS 6 Ca -0.30 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2otl h LYS 6 Cb 1.15 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.31 2otl h LYS 6 CO 0.69 0.00 0.53 -3.38 -0.57 0.00 0.00 179.45 176.72 2otl s HIS 7 N -1.49 -0.31 0.48 -1.35 -3.43 -1.12 -5.02 115.29 103.04 2otl s HIS 7 Ca -0.01 0.17 -0.22 0.00 -0.80 0.00 0.00 55.06 54.19 2otl s HIS 7 Cb 0.00 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.62 2otl s HIS 7 CO 0.02 -0.53 1.15 -2.14 -2.00 0.00 0.00 174.74 171.24 2otl s PRO 8 N -3.05 3.69 -0.55 -0.38 0.02 -1.26 -0.59 135.00 132.88 2otl s PRO 8 Ca 0.06 1.72 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 2otl s PRO 8 Cb -0.01 -2.32 0.12 0.00 0.02 0.00 0.00 34.50 32.31 2otl s PRO 8 CO -0.08 -0.59 0.57 -1.58 -0.33 0.00 0.00 177.00 174.98 2otl s HIS 9 N -1.61 3.16 -0.42 6.54 2.46 -0.21 -4.73 115.29 120.48 2otl s HIS 9 Ca 0.65 -1.15 -0.10 0.00 0.47 0.00 0.00 55.06 54.94 2otl s HIS 9 Cb -0.27 -3.83 0.08 0.00 -0.13 0.00 0.00 32.58 28.42 2otl s HIS 9 CO 0.32 -1.10 0.27 0.54 -2.47 0.00 0.00 174.74 172.30 2otl s VAL 10 N 1.99 4.31 0.19 0.89 0.11 -1.26 -4.62 120.40 122.01 2otl s VAL 10 Ca 0.06 -1.36 -0.05 0.00 -2.93 0.00 0.00 61.98 57.71 2otl s VAL 10 Cb -0.28 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2otl s VAL 10 CO 0.04 -0.50 0.21 0.42 -3.33 0.00 0.00 175.10 171.94 2otl s THR 11 N 1.44 0.03 0.24 5.04 -4.23 -1.26 -5.01 115.64 111.89 2otl s THR 11 Ca 0.03 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2otl s THR 11 Cb -0.23 -2.26 0.20 0.00 1.34 0.00 0.00 72.50 71.55 2otl s THR 11 CO 0.03 -0.13 1.78 -0.33 -0.54 0.00 0.00 174.62 175.43 2otl h GLU 12 N 2.58 0.61 -0.47 3.99 5.08 -2.00 -0.48 114.58 123.89 2otl h GLU 12 Ca -0.33 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 2otl h GLU 12 Cb 1.24 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2otl h GLU 12 CO 0.50 0.40 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.67 2otl h LYS 13 N 0.63 0.78 -0.44 2.33 3.64 -1.98 -2.24 116.57 119.30 2otl h LYS 13 Ca 0.39 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2otl h LYS 13 Cb 0.45 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2otl h LYS 13 CO -0.30 0.80 0.03 0.00 -2.27 0.00 0.00 179.45 177.72 2otl h ALA 14 N 1.25 1.25 -0.36 5.00 0.00 -1.42 -2.57 119.26 122.42 2otl h ALA 14 Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2otl h ALA 14 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2otl h ALA 14 CO 0.02 0.51 -0.08 0.52 0.00 0.00 0.00 179.25 180.22 2otl h MET 15 N 0.66 0.68 -0.55 0.00 2.86 -0.83 -2.15 114.93 115.60 2otl h MET 15 Ca 0.14 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2otl h MET 15 Cb 0.36 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 2otl h MET 15 CO 0.01 0.84 0.28 -0.91 1.06 0.00 0.00 176.91 178.19 2otl h ASN 16 N 0.47 0.40 0.04 1.22 2.35 -1.15 0.56 115.58 119.47 2otl h ASN 16 Ca 0.09 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2otl h ASN 16 Cb 0.58 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2otl h ASN 16 CO 0.03 0.27 -0.15 0.44 -1.65 0.00 0.00 177.43 176.37 2otl h ASP 17 N 0.53 0.22 0.10 5.81 5.19 -1.38 0.13 116.42 127.02 2otl h ASP 17 Ca 0.25 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2otl h ASP 17 Cb 0.16 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2otl h ASP 17 CO -0.18 0.40 -0.05 -0.03 -3.12 0.00 0.00 179.24 176.26 2otl h MET 18 N 0.22 -0.13 -0.29 3.56 4.05 -0.44 0.61 114.93 122.52 2otl h MET 18 Ca 0.04 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2otl h MET 18 Cb 0.41 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2otl h MET 18 CO 0.03 0.39 0.00 -0.44 0.23 0.00 0.00 176.91 177.12 2otl h ASP 19 N -0.79 0.50 0.14 1.39 3.32 0.18 -3.11 116.42 118.05 2otl h ASP 19 Ca -0.01 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 2otl h ASP 19 Cb 0.57 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2otl h ASP 19 CO 0.02 0.68 -1.95 0.49 -1.72 0.00 0.00 179.24 176.76 2otl n PHE 20 N -4.59 0.16 -0.09 4.55 0.99 0.43 -4.63 117.46 114.27 2otl n PHE 20 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2otl n PHE 20 Cb 0.25 -0.69 0.00 0.00 -1.00 0.00 0.00 39.48 38.04 2otl n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2otl n GLN 21 N -2.45 -0.12 -3.50 -1.08 6.02 -0.21 -5.00 117.38 111.04 2otl n GLN 21 Ca -0.10 -0.66 -0.21 0.00 -0.01 0.00 0.00 57.00 56.02 2otl n GLN 21 Cb 0.72 -0.95 0.08 0.00 1.02 0.00 0.00 30.24 31.11 2otl n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2otl n ASN 22 N -0.10 -4.45 -4.28 1.08 5.15 -0.28 -4.78 115.26 107.60 2otl n ASN 22 Ca 0.00 -0.57 -0.32 0.00 -0.60 0.00 0.00 54.58 53.09 2otl n ASN 22 Cb 0.08 -5.00 -0.16 0.00 -0.53 0.00 0.00 39.78 34.17 2otl n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2otl s LYS 23 N -5.88 2.99 -0.18 1.20 1.02 0.03 -1.10 119.74 117.83 2otl s LYS 23 Ca 0.33 -0.83 -0.04 0.00 0.02 0.00 0.00 55.97 55.44 2otl s LYS 23 Cb -0.14 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 2otl s LYS 23 CO 0.72 0.25 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.87 2otl s LEU 24 N 0.18 3.26 -0.13 3.17 1.43 0.18 -2.61 118.68 124.16 2otl s LEU 24 Ca -0.12 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2otl s LEU 24 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2otl s LEU 24 CO 0.07 0.11 0.17 -1.10 0.23 0.00 0.00 176.35 175.83 2otl s GLN 25 N 0.73 3.67 0.07 1.70 -0.21 -1.26 -0.68 119.66 123.67 2otl s GLN 25 Ca -0.01 -0.08 0.03 0.00 0.02 0.00 0.00 55.36 55.32 2otl s GLN 25 Cb -0.14 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 2otl s GLN 25 CO 0.02 0.65 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.70 2otl s PHE 26 N -0.70 0.88 -0.32 0.91 0.40 0.32 -1.04 117.98 118.43 2otl s PHE 26 Ca 0.15 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 2otl s PHE 26 Cb -0.12 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 2otl s PHE 26 CO 0.04 -0.06 0.22 0.00 0.70 0.00 0.00 175.22 176.12 2otl s ALA 27 N -2.15 3.50 0.44 5.36 0.00 0.24 -0.37 121.76 128.78 2otl s ALA 27 Ca -0.00 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2otl s ALA 27 Cb -0.05 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 2otl s ALA 27 CO -0.01 -0.85 0.06 0.14 0.00 0.00 0.00 175.76 175.10 2otl s VAL 28 N 1.73 1.87 0.06 0.00 -7.23 0.61 -1.29 120.40 116.16 2otl s VAL 28 Ca 0.06 -1.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 2otl s VAL 28 Cb -0.17 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2otl s VAL 28 CO 0.10 0.00 1.12 -0.62 -0.31 0.00 0.00 175.10 175.40 2otl s ASP 29 N -3.80 7.19 0.00 4.85 -1.08 -0.92 -3.16 116.67 119.76 2otl s ASP 29 Ca 0.30 1.93 0.00 0.00 -0.52 0.00 0.00 52.55 54.26 2otl s ASP 29 Cb 0.07 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2otl s ASP 29 CO 0.16 -0.37 0.89 -0.90 0.52 0.00 0.00 175.17 175.47 2otl n ASP 30 N 3.65 0.00 -0.44 -0.34 5.75 -1.26 -0.37 116.55 123.54 2otl n ASP 30 Ca 0.07 0.39 0.12 0.00 -0.01 0.00 0.00 54.79 55.36 2otl n ASP 30 Cb 0.48 -0.39 0.22 0.00 -1.03 0.00 0.00 41.12 40.40 2otl n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2otl n ARG 31 N -1.39 1.22 -2.94 0.11 1.74 -1.26 -4.92 116.66 109.22 2otl n ARG 31 Ca 0.00 -0.88 -0.40 0.00 -0.77 0.00 0.00 57.85 55.80 2otl n ARG 31 Cb 0.08 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 2otl n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2otl s ALA 32 N -2.39 3.30 0.84 7.54 0.00 0.50 -5.07 121.76 126.48 2otl s ALA 32 Ca 0.24 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 2otl s ALA 32 Cb 0.19 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.36 2otl s ALA 32 CO 0.50 -0.09 1.21 -1.54 0.00 0.00 0.00 175.76 175.84 2otl s SER 33 N 0.62 4.14 0.08 0.00 1.04 -1.26 -4.88 113.70 113.43 2otl s SER 33 Ca 0.41 0.61 -0.24 0.00 0.48 0.00 0.00 55.95 57.21 2otl s SER 33 Cb -0.19 -0.98 -0.16 0.00 0.10 0.00 0.00 66.02 64.79 2otl s SER 33 CO 0.22 -2.12 1.70 0.11 0.98 0.00 0.00 173.24 174.13 2otl h LYS 34 N -1.19 -0.08 -0.07 4.02 1.57 -1.98 -1.60 116.57 117.24 2otl h LYS 34 Ca -0.45 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 2otl h LYS 34 Cb 1.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 2otl h LYS 34 CO 0.58 -0.03 -0.08 0.78 -0.57 0.00 0.00 179.45 180.12 2otl h GLY 35 N -0.12 0.11 1.39 3.86 0.00 -1.94 -0.67 103.07 105.70 2otl h GLY 35 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2otl h GLY 35 CO 0.01 0.05 -0.59 0.83 0.00 0.00 0.00 176.54 176.85 2otl h GLU 36 N 0.10 0.63 -0.41 4.80 5.08 -1.87 -1.69 114.58 121.23 2otl h GLU 36 Ca 0.02 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 2otl h GLU 36 Cb 0.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2otl h GLU 36 CO 0.01 1.04 -0.16 0.28 -1.00 0.00 0.00 179.01 179.18 2otl h VAL 37 N 0.48 1.26 0.24 3.13 2.07 -0.34 -2.40 116.25 120.69 2otl h VAL 37 Ca 0.00 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2otl h VAL 37 Cb 1.16 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2otl h VAL 37 CO 0.11 0.42 -0.11 0.00 0.02 0.00 0.00 177.57 178.01 2otl h ALA 38 N 1.14 -0.32 0.29 1.67 0.00 -0.99 -2.22 119.26 118.83 2otl h ALA 38 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2otl h ALA 38 Cb 0.65 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2otl h ALA 38 CO 0.05 -0.59 -0.43 -0.44 0.00 0.00 0.00 179.25 177.83 2otl h ASP 39 N -0.49 -1.22 -0.78 0.00 3.32 -1.27 -0.23 116.42 115.74 2otl h ASP 39 Ca -0.03 0.12 0.18 0.00 0.02 0.00 0.00 57.03 57.32 2otl h ASP 39 Cb 0.37 0.43 -0.13 0.00 0.22 0.00 0.00 39.33 40.22 2otl h ASP 39 CO 0.05 -0.54 0.08 0.00 -1.72 0.00 0.00 179.24 177.11 2otl h ALA 40 N -0.41 0.92 0.04 3.45 0.00 -1.44 0.35 119.26 122.18 2otl h ALA 40 Ca -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2otl h ALA 40 Cb 0.73 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2otl h ALA 40 CO -0.15 -0.42 -0.02 0.28 0.00 0.00 0.00 179.25 178.94 2otl h VAL 41 N 0.15 1.10 -0.33 0.00 2.07 -0.89 0.18 116.25 118.53 2otl h VAL 41 Ca 0.45 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2otl h VAL 41 Cb 0.81 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2otl h VAL 41 CO -0.64 0.12 0.23 -0.33 0.02 0.00 0.00 177.57 176.97 2otl h GLU 42 N -0.26 0.21 0.13 1.57 5.08 0.41 -1.44 114.58 120.27 2otl h GLU 42 Ca -0.01 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2otl h GLU 42 Cb 0.24 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2otl h GLU 42 CO 0.01 0.14 -1.19 0.93 -1.00 0.00 0.00 179.01 177.90 2otl h GLU 43 N 0.22 0.27 0.00 2.33 5.08 -0.73 -1.49 114.58 120.26 2otl h GLU 43 Ca 0.15 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2otl h GLU 43 Cb 0.31 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2otl h GLU 43 CO -0.03 1.22 -0.02 1.96 -1.00 0.00 0.00 179.01 181.15 2otl h GLN 44 N -0.32 0.00 0.00 2.33 1.08 -0.47 -3.33 115.11 114.40 2otl h GLN 44 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2otl h GLN 44 Cb 1.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 2otl h GLN 44 CO 0.10 0.02 0.00 0.66 -0.95 0.00 0.00 178.83 178.66 2otl n TYR 45 N -3.11 0.00 -3.35 2.96 4.02 -0.56 -5.05 117.16 112.07 2otl n TYR 45 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 2otl n TYR 45 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.74 2otl n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2otl n ASP 46 N -0.45 -6.47 -3.74 7.72 2.03 -0.57 -5.03 116.55 110.05 2otl n ASP 46 Ca 0.00 -0.68 -0.21 0.00 0.52 0.00 0.00 54.79 54.42 2otl n ASP 46 Cb 0.03 -4.63 -0.08 0.00 -0.72 0.00 0.00 41.12 35.72 2otl n ASP 46 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2otl s VAL 47 N -3.32 0.24 -0.25 5.18 -7.23 -1.18 -5.07 120.40 108.77 2otl s VAL 47 Ca 0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2otl s VAL 47 Cb -0.08 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2otl s VAL 47 CO 0.78 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.60 2otl s THR 48 N -3.41 2.55 -0.07 5.32 2.01 -1.26 -4.58 115.64 116.20 2otl s THR 48 Ca 0.34 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 60.78 2otl s THR 48 Cb 0.03 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2otl s THR 48 CO 0.21 0.10 0.79 -0.69 -0.69 0.00 0.00 174.62 174.34 2otl s VAL 49 N 1.23 4.98 -0.23 3.82 1.01 -1.26 -0.59 120.40 129.36 2otl s VAL 49 Ca -0.04 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 2otl s VAL 49 Cb -0.18 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 2otl s VAL 49 CO -0.05 0.19 -0.04 -0.62 0.00 0.00 0.00 175.10 174.58 2otl n GLU 50 N 4.04 0.56 -3.81 2.72 -0.58 0.39 -4.87 120.64 119.09 2otl n GLU 50 Ca 0.01 0.45 -0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2otl n GLU 50 Cb 0.51 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.65 2otl n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2otl s GLN 51 N -2.43 0.59 -0.09 3.49 0.74 -1.12 -5.01 119.66 115.83 2otl s GLN 51 Ca -0.31 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 2otl s GLN 51 Cb 0.09 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.48 2otl s GLN 51 CO 0.52 -0.16 -0.01 0.08 -0.55 0.00 0.00 175.29 175.17 2otl s VAL 52 N -1.44 0.55 -0.09 1.34 1.01 -1.26 -0.03 120.40 120.48 2otl s VAL 52 Ca -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2otl s VAL 52 Cb -0.06 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2otl s VAL 52 CO 0.03 0.25 -0.06 0.20 0.00 0.00 0.00 175.10 175.52 2otl s ASN 53 N 1.90 4.69 0.34 3.32 0.02 0.46 -4.93 114.94 120.73 2otl s ASN 53 Ca 0.05 -0.05 0.09 0.00 -1.02 0.00 0.00 52.86 51.93 2otl s ASN 53 Cb -0.13 -1.36 -0.06 0.00 0.02 0.00 0.00 41.25 39.72 2otl s ASN 53 CO -0.06 0.31 -0.10 0.42 0.02 0.00 0.00 177.10 177.69 2otl s THR 54 N -0.48 2.21 -0.24 1.60 -4.23 -1.26 0.88 115.64 114.13 2otl s THR 54 Ca 0.07 -2.21 -0.21 0.00 -1.18 0.00 0.00 61.69 58.16 2otl s THR 54 Cb -0.12 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2otl s THR 54 CO 0.02 -0.21 0.63 -1.58 -0.54 0.00 0.00 174.62 172.93 2otl s GLN 55 N -3.61 0.72 -0.55 3.99 0.74 -0.02 -4.99 119.66 115.94 2otl s GLN 55 Ca 0.32 0.90 -0.18 0.00 0.05 0.00 0.00 55.36 56.45 2otl s GLN 55 Cb 0.02 0.33 0.10 0.00 1.10 0.00 0.00 33.01 34.56 2otl s GLN 55 CO 0.16 -0.09 0.60 -0.80 -0.55 0.00 0.00 175.29 174.60 2otl s ASN 56 N 0.46 6.19 0.59 6.67 0.01 -1.26 0.36 114.94 127.96 2otl s ASN 56 Ca -0.01 -1.42 -0.18 0.00 -0.71 0.00 0.00 52.86 50.55 2otl s ASN 56 Cb -0.05 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2otl s ASN 56 CO -0.01 -0.95 1.13 -0.89 -1.51 0.00 0.00 177.10 174.88 2otl s THR 57 N 2.26 3.11 -0.44 1.60 2.01 -0.04 -4.90 115.64 119.23 2otl s THR 57 Ca 0.09 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.71 2otl s THR 57 Cb -0.25 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2otl s THR 57 CO 0.06 -0.21 0.41 0.23 -0.69 0.00 0.00 174.62 174.43 2otl n MET 58 N -1.74 0.53 -0.00 4.92 2.81 -1.26 -1.59 117.12 120.79 2otl n MET 58 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2otl n MET 58 Cb 0.51 -1.25 0.01 0.00 -0.71 0.00 0.00 33.22 31.78 2otl n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2otl n ASP 59 N 0.52 1.34 0.00 7.83 10.43 -1.26 -4.98 116.55 130.42 2otl n ASP 59 Ca 0.00 -1.29 0.00 0.00 2.57 0.00 0.00 54.79 56.07 2otl n ASP 59 Cb 0.21 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.16 2otl n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2otl n GLY 60 N -0.07 0.73 3.50 0.44 0.00 -0.62 -5.03 105.19 104.14 2otl n GLY 60 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2otl n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otl s GLU 61 N -0.10 1.79 -0.18 1.61 2.02 -1.25 -4.90 118.70 117.69 2otl s GLU 61 Ca 0.00 -1.50 -0.12 0.00 0.02 0.00 0.00 54.97 53.37 2otl s GLU 61 Cb 0.00 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2otl s GLU 61 CO 0.00 0.39 0.23 0.21 0.02 0.00 0.00 175.26 176.11 2otl s LYS 62 N -3.01 4.22 -0.17 1.61 2.20 -1.19 -0.86 119.74 122.54 2otl s LYS 62 Ca 0.25 -0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.77 2otl s LYS 62 Cb -0.07 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2otl s LYS 62 CO 0.14 0.24 0.01 0.21 -0.36 0.00 0.00 175.35 175.58 2otl s LYS 63 N 0.49 3.76 -0.14 4.03 2.20 0.16 -0.28 119.74 129.96 2otl s LYS 63 Ca 0.13 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 2otl s LYS 63 Cb -0.12 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2otl s LYS 63 CO 0.02 0.20 -0.09 0.00 -0.36 0.00 0.00 175.35 175.11 2otl s ALA 64 N 0.51 2.76 -0.40 3.13 0.00 0.50 -0.84 121.76 127.43 2otl s ALA 64 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 2otl s ALA 64 Cb -0.14 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.70 2otl s ALA 64 CO 0.02 0.22 0.24 0.08 0.00 0.00 0.00 175.76 176.32 2otl s VAL 65 N 0.38 4.27 -0.22 0.00 1.01 0.25 -0.52 120.40 125.57 2otl s VAL 65 Ca -0.08 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 2otl s VAL 65 Cb -0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2otl s VAL 65 CO 0.04 -0.43 0.03 -0.69 0.00 0.00 0.00 175.10 174.06 2otl s VAL 66 N 1.45 4.14 -0.22 2.92 1.01 0.14 -0.40 120.40 129.44 2otl s VAL 66 Ca 0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2otl s VAL 66 Cb -0.22 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2otl s VAL 66 CO 0.03 0.39 0.23 -0.60 0.00 0.00 0.00 175.10 175.14 2otl s ARG 67 N 1.28 4.13 0.38 2.72 3.52 0.95 0.49 118.95 132.43 2otl s ARG 67 Ca 0.04 -0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 2otl s ARG 67 Cb -0.15 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2otl s ARG 67 CO 0.02 0.09 0.64 -0.51 -0.81 0.00 0.00 175.30 174.73 2otl s LEU 68 N 0.97 3.89 0.80 -0.88 1.43 -0.26 -0.46 118.68 124.17 2otl s LEU 68 Ca 0.11 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 2otl s LEU 68 Cb -0.13 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.57 2otl s LEU 68 CO 0.04 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.41 2otl s SER 69 N -3.78 4.21 0.66 2.29 1.04 0.24 -4.69 113.70 113.68 2otl s SER 69 Ca 0.44 1.79 0.35 0.00 0.48 0.00 0.00 55.95 59.01 2otl s SER 69 Cb -0.10 -2.47 1.89 0.00 0.10 0.00 0.00 66.02 65.45 2otl s SER 69 CO 0.37 -2.21 2.07 -0.33 0.98 0.00 0.00 173.24 174.12 2otl h GLU 70 N -1.25 0.00 -0.35 4.02 5.08 -1.98 -0.72 114.58 119.38 2otl h GLU 70 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2otl h GLU 70 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2otl h GLU 70 CO 0.51 0.00 0.20 -0.44 -1.00 0.00 0.00 179.01 178.28 2otl h ASP 71 N 0.00 0.43 -3.04 1.42 3.32 -1.94 -3.44 116.42 113.16 2otl h ASP 71 Ca 0.01 -0.08 -0.49 0.00 0.02 0.00 0.00 57.03 56.49 2otl h ASP 71 Cb 0.45 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.90 2otl h ASP 71 CO -0.00 0.38 -0.13 -1.81 -1.72 0.00 0.00 179.24 175.97 2otl s ASP 72 N -5.62 6.33 -0.32 6.45 1.01 -0.28 -5.09 116.67 119.15 2otl s ASP 72 Ca -0.13 0.60 0.03 0.00 0.71 0.00 0.00 52.55 53.76 2otl s ASP 72 Cb 0.10 -2.10 0.09 0.00 1.01 0.00 0.00 42.92 42.02 2otl s ASP 72 CO 0.73 -0.32 0.04 -0.62 0.21 0.00 0.00 175.17 175.21 2otl s ASP 73 N -3.81 4.53 0.31 0.27 -1.08 -1.26 -4.75 116.67 110.88 2otl s ASP 73 Ca 0.42 -1.93 0.05 0.00 -0.52 0.00 0.00 52.55 50.57 2otl s ASP 73 Cb -0.10 -1.43 0.83 0.00 -1.46 0.00 0.00 42.92 40.75 2otl s ASP 73 CO 0.36 -0.36 1.62 0.00 0.52 0.00 0.00 175.17 177.31 2otl h ALA 74 N 7.74 1.42 -0.72 3.66 0.00 -1.85 0.23 119.26 129.74 2otl h ALA 74 Ca -0.08 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2otl h ALA 74 Cb 1.02 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2otl h ALA 74 CO 0.50 -0.56 0.44 1.96 0.00 0.00 0.00 179.25 181.60 2otl h GLN 75 N 0.15 0.82 -0.23 0.00 4.20 -1.95 -0.44 115.11 117.66 2otl h GLN 75 Ca 0.61 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 59.14 2otl h GLN 75 Cb 1.32 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2otl h GLN 75 CO -0.72 0.54 -0.42 0.93 -0.67 0.00 0.00 178.83 178.50 2otl h GLU 76 N 0.85 0.55 -0.38 1.46 5.08 -1.39 -1.72 114.58 119.02 2otl h GLU 76 Ca 0.30 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2otl h GLU 76 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2otl h GLU 76 CO -0.13 0.87 -0.13 0.28 -1.00 0.00 0.00 179.01 178.90 2otl h VAL 77 N 0.45 1.28 -0.04 3.13 2.07 -0.87 -3.15 116.25 119.12 2otl h VAL 77 Ca 0.04 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.18 2otl h VAL 77 Cb 0.92 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2otl h VAL 77 CO 0.08 0.41 -0.65 0.00 0.02 0.00 0.00 177.57 177.43 2otl h ALA 78 N 0.82 0.82 -0.22 1.67 0.00 -1.06 -3.27 119.26 118.03 2otl h ALA 78 Ca 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2otl h ALA 78 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2otl h ALA 78 CO 0.04 0.77 -0.19 0.66 0.00 0.00 0.00 179.25 180.54 2otl h SER 79 N 0.12 0.37 0.27 0.00 4.64 -1.29 -2.80 113.55 114.87 2otl h SER 79 Ca -0.01 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2otl h SER 79 Cb 1.17 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2otl h SER 79 CO 0.10 0.58 0.00 -2.11 -0.87 0.00 0.00 176.83 174.53 2otl n ARG 80 N -4.18 0.13 0.00 4.77 1.85 -1.19 -5.11 116.66 112.93 2otl n ARG 80 Ca -0.00 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2otl n ARG 80 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 2otl n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06