#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s TRP 2 N 0.00 3.46 0.17 0.66 1.48 -1.26 -5.08 118.94 118.38 1m90 s TRP 2 Ca 0.00 1.21 -0.05 0.00 -1.06 0.00 0.00 56.10 56.20 1m90 s TRP 2 Cb 0.00 -2.52 -0.06 0.00 -1.16 0.00 0.00 33.47 29.74 1m90 s TRP 2 CO 0.00 0.20 0.42 -0.51 -4.06 0.00 0.00 176.95 173.00 1m90 s ASP 3 N -2.09 6.51 -0.03 -2.66 1.01 -1.26 -5.04 116.67 113.11 1m90 s ASP 3 Ca 0.50 0.65 -0.19 0.00 0.71 0.00 0.00 52.55 54.22 1m90 s ASP 3 Cb -0.12 -2.12 -0.12 0.00 1.01 0.00 0.00 42.92 41.58 1m90 s ASP 3 CO 0.19 0.01 0.80 0.58 0.21 0.00 0.00 175.17 176.95 1m90 h VAL 4 N 1.96 0.25 -3.42 -1.27 2.07 -1.95 -3.40 116.25 110.49 1m90 h VAL 4 Ca -0.46 -0.67 -0.55 0.00 0.82 0.00 0.00 66.70 65.84 1m90 h VAL 4 Cb 1.17 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1m90 h VAL 4 CO 0.71 0.06 0.18 -0.63 0.02 0.00 0.00 177.57 177.91 1m90 s ILE 5 N -3.65 4.79 -0.26 4.57 1.01 -1.26 -1.44 121.20 124.97 1m90 s ILE 5 Ca -0.10 1.66 -0.15 0.00 0.00 0.00 0.00 60.65 62.06 1m90 s ILE 5 Cb 0.01 -4.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.24 1m90 s ILE 5 CO 0.34 0.32 -0.33 0.29 0.00 0.00 0.00 174.94 175.56 1m90 n LYS 6 N 3.10 0.58 -3.62 2.79 5.02 0.00 -4.93 118.16 121.10 1m90 n LYS 6 Ca -0.01 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.52 1m90 n LYS 6 Cb 0.50 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1m90 n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1m90 s HIS 7 N -2.57 -0.07 0.14 2.13 -3.43 -1.15 -5.01 115.29 105.34 1m90 s HIS 7 Ca -0.37 0.04 -0.31 0.00 -0.80 0.00 0.00 55.06 53.62 1m90 s HIS 7 Cb 0.13 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 31.71 1m90 s HIS 7 CO 0.48 -0.12 1.35 -2.14 -2.00 0.00 0.00 174.74 172.31 1m90 s PRO 8 N -2.24 4.35 -0.82 -0.38 0.02 -1.26 -0.84 135.00 133.82 1m90 s PRO 8 Ca 0.11 2.05 -0.21 0.00 0.02 0.00 0.00 61.00 62.98 1m90 s PRO 8 Cb -0.00 -3.23 0.10 0.00 0.02 0.00 0.00 34.50 31.38 1m90 s PRO 8 CO -0.04 -0.36 1.08 -1.58 -0.33 0.00 0.00 177.00 175.77 1m90 s HIS 9 N 0.75 2.89 -0.47 6.54 2.46 0.15 -4.81 115.29 122.79 1m90 s HIS 9 Ca 0.61 -0.99 -0.15 0.00 0.47 0.00 0.00 55.06 55.00 1m90 s HIS 9 Cb -0.36 -4.32 0.07 0.00 -0.13 0.00 0.00 32.58 27.84 1m90 s HIS 9 CO 0.33 -1.59 0.39 0.54 -2.47 0.00 0.00 174.74 171.94 1m90 s VAL 10 N 3.44 5.24 0.19 0.89 0.11 -1.26 -4.62 120.40 124.39 1m90 s VAL 10 Ca 0.29 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1m90 s VAL 10 Cb -0.10 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.62 1m90 s VAL 10 CO -0.01 -0.56 0.21 0.42 -3.33 0.00 0.00 175.10 171.83 1m90 s THR 11 N 1.65 0.02 0.18 5.04 -4.23 -1.26 -5.00 115.64 112.03 1m90 s THR 11 Ca 0.04 -1.79 -0.20 0.00 -1.18 0.00 0.00 61.69 58.57 1m90 s THR 11 Cb -0.24 -2.28 0.11 0.00 1.34 0.00 0.00 72.50 71.43 1m90 s THR 11 CO 0.07 -0.11 1.61 -0.33 -0.54 0.00 0.00 174.62 175.32 1m90 h GLU 12 N 2.57 -0.15 -0.95 3.99 3.07 -2.00 0.10 114.58 121.22 1m90 h GLU 12 Ca -0.33 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1m90 h GLU 12 Cb 1.24 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1m90 h GLU 12 CO 0.50 -0.10 0.63 -0.22 -1.40 0.00 0.00 179.01 178.41 1m90 h LYS 13 N -0.16 1.24 -0.35 2.33 3.64 -1.98 -0.94 116.57 120.34 1m90 h LYS 13 Ca 0.21 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1m90 h LYS 13 Cb 0.49 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1m90 h LYS 13 CO -0.55 0.82 0.12 0.00 -2.27 0.00 0.00 179.45 177.57 1m90 h ALA 14 N 1.41 1.56 -0.12 5.00 0.00 -1.19 -2.42 119.26 123.50 1m90 h ALA 14 Ca 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1m90 h ALA 14 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1m90 h ALA 14 CO -0.08 0.34 -0.06 0.52 0.00 0.00 0.00 179.25 179.97 1m90 h MET 15 N 0.50 0.25 -0.93 0.00 2.86 0.35 -2.33 114.93 115.63 1m90 h MET 15 Ca 0.12 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1m90 h MET 15 Cb 0.13 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 1m90 h MET 15 CO -0.01 0.59 0.60 -0.91 1.06 0.00 0.00 176.91 178.24 1m90 h ASN 16 N -0.10 0.87 0.19 1.22 2.35 -1.07 0.42 115.58 119.46 1m90 h ASN 16 Ca 0.03 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1m90 h ASN 16 Cb 0.52 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1m90 h ASN 16 CO 0.02 0.52 -0.44 0.44 -1.65 0.00 0.00 177.43 176.32 1m90 h ASP 17 N 0.96 0.33 -0.02 5.81 5.19 -1.38 0.13 116.42 127.44 1m90 h ASP 17 Ca 0.42 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.57 1m90 h ASP 17 Cb 0.35 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.78 1m90 h ASP 17 CO -0.18 0.73 -0.44 -0.03 -3.12 0.00 0.00 179.24 176.19 1m90 h MET 18 N 0.26 0.33 -0.06 3.56 4.05 -0.39 0.55 114.93 123.24 1m90 h MET 18 Ca 0.02 -0.33 -0.22 0.00 -0.28 0.00 0.00 59.70 58.89 1m90 h MET 18 Cb 0.88 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1m90 h MET 18 CO 0.07 1.01 -0.86 -0.44 0.23 0.00 0.00 176.91 176.93 1m90 h ASP 19 N -0.22 0.66 0.00 1.39 3.32 -0.26 -3.15 116.42 118.16 1m90 h ASP 19 Ca -0.05 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1m90 h ASP 19 Cb 1.15 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1m90 h ASP 19 CO 0.09 1.26 -1.89 0.49 -1.72 0.00 0.00 179.24 177.47 1m90 n PHE 20 N -3.83 0.00 -0.53 4.55 0.99 0.44 -4.68 117.46 114.41 1m90 n PHE 20 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 1m90 n PHE 20 Cb 0.78 -0.45 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 1m90 n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1m90 n GLN 21 N -2.18 0.41 -3.54 -1.08 6.02 0.09 -5.01 117.38 112.08 1m90 n GLN 21 Ca -0.03 -0.58 -0.22 0.00 -0.01 0.00 0.00 57.00 56.15 1m90 n GLN 21 Cb 0.52 -0.74 0.08 0.00 1.02 0.00 0.00 30.24 31.12 1m90 n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1m90 n ASN 22 N -0.11 -5.89 -4.40 1.08 5.15 -0.60 -4.80 115.26 105.68 1m90 n ASN 22 Ca 0.00 -0.52 -0.31 0.00 -0.60 0.00 0.00 54.58 53.15 1m90 n ASN 22 Cb 0.25 -4.86 -0.14 0.00 -0.53 0.00 0.00 39.78 34.50 1m90 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m90 s LYS 23 N -6.19 2.05 -0.05 1.20 1.02 -0.84 -1.14 119.74 115.79 1m90 s LYS 23 Ca 0.52 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1m90 s LYS 23 Cb -0.23 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1m90 s LYS 23 CO 0.70 0.55 -0.14 -0.51 -0.92 0.00 0.00 175.35 175.03 1m90 s LEU 24 N -1.15 2.75 -0.11 3.17 1.43 0.14 -2.99 118.68 121.91 1m90 s LEU 24 Ca 0.13 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1m90 s LEU 24 Cb -0.10 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1m90 s LEU 24 CO 0.03 0.35 -0.05 -1.10 0.23 0.00 0.00 176.35 175.80 1m90 s GLN 25 N -0.74 3.20 0.14 1.70 -0.21 -1.26 -0.12 119.66 122.38 1m90 s GLN 25 Ca 0.12 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 55.01 1m90 s GLN 25 Cb -0.11 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 1m90 s GLN 25 CO 0.01 0.47 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.48 1m90 s PHE 26 N -0.26 1.28 -0.32 0.91 0.40 -0.17 -0.67 117.98 119.15 1m90 s PHE 26 Ca 0.04 -0.73 -0.11 0.00 -0.60 0.00 0.00 56.93 55.54 1m90 s PHE 26 Cb -0.13 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1m90 s PHE 26 CO 0.02 0.10 0.18 0.00 0.70 0.00 0.00 175.22 176.22 1m90 s ALA 27 N -3.17 3.35 0.41 5.36 0.00 -0.02 -1.16 121.76 126.53 1m90 s ALA 27 Ca 0.16 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1m90 s ALA 27 Cb 0.02 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 1m90 s ALA 27 CO 0.01 -0.89 0.02 0.14 0.00 0.00 0.00 175.76 175.03 1m90 s VAL 28 N 1.65 2.00 0.09 0.00 -7.23 0.16 -0.82 120.40 116.25 1m90 s VAL 28 Ca 0.05 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 57.92 1m90 s VAL 28 Cb -0.17 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 1m90 s VAL 28 CO 0.08 0.00 1.29 -0.62 -0.31 0.00 0.00 175.10 175.53 1m90 s ASP 29 N -3.72 6.96 0.00 4.85 -1.08 -0.52 -2.92 116.67 120.23 1m90 s ASP 29 Ca 0.35 2.16 0.05 0.00 -0.52 0.00 0.00 52.55 54.59 1m90 s ASP 29 Cb 0.10 -2.58 0.30 0.00 -1.46 0.00 0.00 42.92 39.27 1m90 s ASP 29 CO 0.18 -0.56 0.75 -0.90 0.52 0.00 0.00 175.17 175.16 1m90 n ASP 30 N 3.93 0.00 -0.37 -0.34 5.75 -1.26 -0.79 116.55 123.48 1m90 n ASP 30 Ca 0.10 -0.18 0.11 0.00 -0.01 0.00 0.00 54.79 54.81 1m90 n ASP 30 Cb 0.44 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.58 1m90 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1m90 n ARG 31 N -0.97 0.93 -2.91 0.11 1.74 -1.26 -4.93 116.66 109.37 1m90 n ARG 31 Ca 0.04 -0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 55.98 1m90 n ARG 31 Cb 0.02 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1m90 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1m90 s ALA 32 N -2.58 3.33 0.55 7.54 0.00 0.03 -5.07 121.76 125.55 1m90 s ALA 32 Ca 0.17 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1m90 s ALA 32 Cb 0.18 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1m90 s ALA 32 CO 0.62 0.02 0.83 -1.54 0.00 0.00 0.00 175.76 175.69 1m90 s SER 33 N 0.03 5.70 0.23 0.00 1.04 -1.26 -4.89 113.70 114.54 1m90 s SER 33 Ca 0.41 0.61 -0.06 0.00 0.48 0.00 0.00 55.95 57.39 1m90 s SER 33 Cb -0.21 -1.69 0.37 0.00 0.10 0.00 0.00 66.02 64.59 1m90 s SER 33 CO 0.25 -0.94 1.77 0.11 0.98 0.00 0.00 173.24 175.41 1m90 h LYS 34 N 0.01 0.56 -0.49 4.02 1.57 -1.97 0.42 116.57 120.68 1m90 h LYS 34 Ca -0.46 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.33 1m90 h LYS 34 Cb 1.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 1m90 h LYS 34 CO 0.60 0.37 0.24 0.78 -0.57 0.00 0.00 179.45 180.87 1m90 h GLY 35 N 0.58 0.68 1.73 3.86 0.00 -1.96 0.21 103.07 108.17 1m90 h GLY 35 Ca 0.37 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1m90 h GLY 35 CO -0.30 0.10 -0.31 0.83 0.00 0.00 0.00 176.54 176.87 1m90 h GLU 36 N 0.47 0.31 -0.25 4.80 5.08 -1.68 -1.62 114.58 121.70 1m90 h GLU 36 Ca 0.22 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1m90 h GLU 36 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1m90 h GLU 36 CO -0.16 0.59 -0.21 0.28 -1.00 0.00 0.00 179.01 178.52 1m90 h VAL 37 N 0.27 1.31 0.18 3.13 2.07 -0.01 -1.94 116.25 121.27 1m90 h VAL 37 Ca 0.04 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1m90 h VAL 37 Cb 0.69 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1m90 h VAL 37 CO 0.05 0.42 -0.21 0.00 0.02 0.00 0.00 177.57 177.85 1m90 h ALA 38 N 0.69 -0.40 0.68 1.67 0.00 -0.31 -1.59 119.26 120.00 1m90 h ALA 38 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1m90 h ALA 38 Cb 0.75 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1m90 h ALA 38 CO 0.05 -0.76 -0.44 -0.44 0.00 0.00 0.00 179.25 177.67 1m90 h ASP 39 N -0.43 -1.11 -0.78 0.00 3.32 -1.33 -2.28 116.42 113.81 1m90 h ASP 39 Ca 0.01 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.25 1m90 h ASP 39 Cb 0.42 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 40.16 1m90 h ASP 39 CO -0.07 -0.66 -0.34 0.00 -1.72 0.00 0.00 179.24 176.45 1m90 h ALA 40 N -1.25 0.09 -0.85 3.45 0.00 -1.32 0.14 119.26 119.52 1m90 h ALA 40 Ca -0.09 0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1m90 h ALA 40 Cb 0.85 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1m90 h ALA 40 CO 0.08 -0.63 0.47 0.28 0.00 0.00 0.00 179.25 179.46 1m90 h VAL 41 N -0.08 0.85 -0.08 0.00 2.07 -1.18 -1.51 116.25 116.33 1m90 h VAL 41 Ca 0.29 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1m90 h VAL 41 Cb 0.58 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1m90 h VAL 41 CO -0.82 0.14 0.01 -0.33 0.02 0.00 0.00 177.57 176.59 1m90 h GLU 42 N 0.75 0.14 0.00 1.57 5.08 -0.18 -2.38 114.58 119.57 1m90 h GLU 42 Ca 0.43 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1m90 h GLU 42 Cb 0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1m90 h GLU 42 CO -0.28 0.36 -0.01 0.93 -1.00 0.00 0.00 179.01 179.00 1m90 h GLU 43 N -0.10 0.00 0.01 2.33 5.08 -0.79 0.48 114.58 121.59 1m90 h GLU 43 Ca 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.06 1m90 h GLU 43 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1m90 h GLU 43 CO 0.00 0.01 -1.94 1.04 -1.00 0.00 0.00 179.01 177.12 1m90 n GLN 44 N -3.14 0.66 0.00 2.33 1.13 -0.61 -4.53 117.38 113.22 1m90 n GLN 44 Ca -0.01 0.20 0.01 0.00 -1.94 0.00 0.00 57.00 55.26 1m90 n GLN 44 Cb 0.19 -1.70 0.01 0.00 0.11 0.00 0.00 30.24 28.84 1m90 n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1m90 n TYR 45 N -2.98 0.00 -3.23 1.08 4.02 -0.91 -5.04 117.16 110.09 1m90 n TYR 45 Ca -0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.59 1m90 n TYR 45 Cb 1.08 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.41 1m90 n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1m90 n ASP 46 N -0.03 -7.08 -3.54 7.72 -0.08 0.17 -5.03 116.55 108.68 1m90 n ASP 46 Ca 0.01 -0.31 -0.15 0.00 -1.51 0.00 0.00 54.79 52.83 1m90 n ASP 46 Cb 0.05 -4.54 -0.06 0.00 2.34 0.00 0.00 41.12 38.90 1m90 n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1m90 s VAL 47 N -3.04 0.00 -0.26 5.18 -7.23 -1.22 -5.08 120.40 108.76 1m90 s VAL 47 Ca 0.04 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1m90 s VAL 47 Cb -0.01 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1m90 s VAL 47 CO 0.78 0.00 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.68 1m90 s THR 48 N -3.48 3.38 -0.14 5.32 2.01 -1.26 -4.62 115.64 116.85 1m90 s THR 48 Ca 0.34 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 1m90 s THR 48 Cb 0.02 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1m90 s THR 48 CO 0.20 0.20 0.77 -0.69 -0.69 0.00 0.00 174.62 174.41 1m90 s VAL 49 N 1.42 4.94 -0.18 3.82 1.01 -1.26 -1.70 120.40 128.45 1m90 s VAL 49 Ca 0.02 1.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 1m90 s VAL 49 Cb -0.16 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 1m90 s VAL 49 CO -0.02 0.10 0.14 -0.62 0.00 0.00 0.00 175.10 174.70 1m90 n GLU 50 N 4.79 0.69 -3.73 2.72 -0.58 0.67 -4.91 120.64 120.30 1m90 n GLU 50 Ca 0.02 0.28 -0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1m90 n GLU 50 Cb 0.50 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 1m90 n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1m90 s GLN 51 N -2.52 0.81 -0.05 3.49 0.74 -1.13 -5.00 119.66 116.00 1m90 s GLN 51 Ca -0.28 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 1m90 s GLN 51 Cb 0.08 0.36 0.03 0.00 1.10 0.00 0.00 33.01 34.57 1m90 s GLN 51 CO 0.68 -0.26 0.02 0.08 -0.55 0.00 0.00 175.29 175.26 1m90 s VAL 52 N -2.21 0.14 -0.10 1.34 1.01 -1.26 -0.50 120.40 118.81 1m90 s VAL 52 Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1m90 s VAL 52 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1m90 s VAL 52 CO -0.01 0.19 -0.17 0.20 0.00 0.00 0.00 175.10 175.31 1m90 s ASN 53 N 1.67 3.67 0.35 3.32 0.02 -0.47 -4.95 114.94 118.54 1m90 s ASN 53 Ca -0.01 -0.39 0.08 0.00 -1.02 0.00 0.00 52.86 51.52 1m90 s ASN 53 Cb -0.13 -1.39 -0.04 0.00 0.02 0.00 0.00 41.25 39.71 1m90 s ASN 53 CO -0.03 0.19 0.13 0.42 0.02 0.00 0.00 177.10 177.83 1m90 s THR 54 N 0.17 2.90 -0.27 1.60 -4.23 -1.26 -0.20 115.64 114.34 1m90 s THR 54 Ca -0.10 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 1m90 s THR 54 Cb -0.16 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.81 1m90 s THR 54 CO 0.06 -0.17 0.68 -1.58 -0.54 0.00 0.00 174.62 173.07 1m90 s GLN 55 N -3.83 0.71 -0.47 3.99 0.74 -0.05 -4.98 119.66 115.77 1m90 s GLN 55 Ca 0.38 1.16 -0.21 0.00 0.05 0.00 0.00 55.36 56.74 1m90 s GLN 55 Cb -0.02 0.18 0.03 0.00 1.10 0.00 0.00 33.01 34.31 1m90 s GLN 55 CO 0.22 -0.14 0.69 -0.80 -0.55 0.00 0.00 175.29 174.71 1m90 s ASN 56 N 1.41 6.31 0.59 6.67 0.01 -1.26 -0.22 114.94 128.44 1m90 s ASN 56 Ca -0.08 -0.47 -0.14 0.00 -0.71 0.00 0.00 52.86 51.46 1m90 s ASN 56 Cb -0.05 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.23 1m90 s ASN 56 CO -0.16 -0.88 1.03 -0.89 -1.51 0.00 0.00 177.10 174.69 1m90 s THR 57 N 2.96 4.26 -1.39 1.60 2.01 0.20 -4.94 115.64 120.32 1m90 s THR 57 Ca 0.22 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1m90 s THR 57 Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1m90 s THR 57 CO 0.18 -0.73 0.54 0.23 -0.69 0.00 0.00 174.62 174.14 1m90 n MET 58 N -2.16 0.78 0.00 4.92 2.81 -1.26 -1.20 117.12 121.01 1m90 n MET 58 Ca 0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.03 1m90 n MET 58 Cb 0.54 -1.24 0.03 0.00 -0.71 0.00 0.00 33.22 31.84 1m90 n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1m90 n ASP 59 N -0.13 1.79 0.00 7.83 10.43 -1.26 -4.97 116.55 130.24 1m90 n ASP 59 Ca 0.00 -1.40 0.00 0.00 2.57 0.00 0.00 54.79 55.96 1m90 n ASP 59 Cb 0.12 0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.26 1m90 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1m90 n GLY 60 N 0.83 1.25 3.83 0.44 0.00 -0.34 -5.04 105.19 106.17 1m90 n GLY 60 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1m90 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m90 s GLU 61 N -0.41 2.34 -0.06 1.61 2.02 -1.25 -4.92 118.70 118.03 1m90 s GLU 61 Ca 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 54.97 53.17 1m90 s GLU 61 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1m90 s GLU 61 CO 0.00 -0.28 0.09 0.21 0.02 0.00 0.00 175.26 175.30 1m90 s LYS 62 N -4.09 3.20 -0.09 1.61 2.20 -1.15 -0.63 119.74 120.80 1m90 s LYS 62 Ca 0.41 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1m90 s LYS 62 Cb -0.00 -2.97 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1m90 s LYS 62 CO 0.24 0.71 -0.23 0.21 -0.36 0.00 0.00 175.35 175.91 1m90 s LYS 63 N -1.31 2.81 -0.08 4.03 2.20 0.70 -0.66 119.74 127.43 1m90 s LYS 63 Ca 0.18 -0.85 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1m90 s LYS 63 Cb -0.12 -2.19 -0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1m90 s LYS 63 CO 0.08 0.22 -0.23 0.00 -0.36 0.00 0.00 175.35 175.07 1m90 s ALA 64 N 0.23 2.03 -0.48 3.13 0.00 -0.31 -0.87 121.76 125.50 1m90 s ALA 64 Ca -0.15 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1m90 s ALA 64 Cb -0.17 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.34 1m90 s ALA 64 CO 0.07 0.31 0.39 0.08 0.00 0.00 0.00 175.76 176.61 1m90 s VAL 65 N 0.18 4.84 -0.31 0.00 1.01 0.72 -1.00 120.40 125.83 1m90 s VAL 65 Ca -0.12 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 1m90 s VAL 65 Cb -0.16 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1m90 s VAL 65 CO 0.06 -0.67 0.20 -0.69 0.00 0.00 0.00 175.10 174.00 1m90 s VAL 66 N 1.54 5.14 -0.12 2.92 1.01 0.83 -1.37 120.40 130.34 1m90 s VAL 66 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1m90 s VAL 66 Cb -0.26 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1m90 s VAL 66 CO 0.03 0.09 0.42 -0.60 0.00 0.00 0.00 175.10 175.05 1m90 s ARG 67 N 1.71 4.29 0.52 2.72 3.52 0.34 0.23 118.95 132.28 1m90 s ARG 67 Ca 0.06 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1m90 s ARG 67 Cb -0.17 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1m90 s ARG 67 CO 0.10 0.22 0.76 -0.51 -0.81 0.00 0.00 175.30 175.05 1m90 s LEU 68 N 0.45 3.41 0.56 -0.88 1.43 -0.29 -0.24 118.68 123.12 1m90 s LEU 68 Ca 0.23 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 1m90 s LEU 68 Cb -0.15 -3.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 1m90 s LEU 68 CO 0.09 -0.97 0.99 -0.94 0.23 0.00 0.00 176.35 175.75 1m90 s SER 69 N -4.33 6.41 0.57 2.29 1.04 -0.69 -4.64 113.70 114.36 1m90 s SER 69 Ca 0.53 1.44 0.26 0.00 0.48 0.00 0.00 55.95 58.67 1m90 s SER 69 Cb -0.10 -2.47 1.43 0.00 0.10 0.00 0.00 66.02 64.98 1m90 s SER 69 CO 0.39 -0.71 1.78 -0.33 0.98 0.00 0.00 173.24 175.35 1m90 h GLU 70 N 0.30 0.00 -0.01 4.02 5.08 -1.97 0.41 114.58 122.42 1m90 h GLU 70 Ca -0.45 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.76 1m90 h GLU 70 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1m90 h GLU 70 CO 0.62 0.00 -0.68 0.22 -1.00 0.00 0.00 179.01 178.17 1m90 h ASP 71 N 0.00 0.05 -2.45 1.42 1.82 -1.96 -3.44 116.42 111.85 1m90 h ASP 71 Ca 0.00 -0.03 -0.53 0.00 -0.39 0.00 0.00 57.03 56.08 1m90 h ASP 71 Cb 0.58 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 1m90 h ASP 71 CO 0.00 0.71 -0.51 -1.81 -1.61 0.00 0.00 179.24 176.02 1m90 s ASP 72 N -6.84 5.87 -0.25 2.28 1.01 0.14 -5.10 116.67 113.79 1m90 s ASP 72 Ca -0.01 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.21 1m90 s ASP 72 Cb 0.12 -1.63 0.06 0.00 1.01 0.00 0.00 42.92 42.49 1m90 s ASP 72 CO 0.78 0.01 -0.06 -0.62 0.21 0.00 0.00 175.17 175.49 1m90 s ASP 73 N -3.47 4.07 0.16 0.27 -1.08 -1.26 -4.66 116.67 110.69 1m90 s ASP 73 Ca 0.33 -1.30 -0.22 0.00 -0.52 0.00 0.00 52.55 50.84 1m90 s ASP 73 Cb -0.10 -1.30 0.05 0.00 -1.46 0.00 0.00 42.92 40.11 1m90 s ASP 73 CO 0.26 -0.23 1.62 0.00 0.52 0.00 0.00 175.17 177.34 1m90 h ALA 74 N 7.89 -0.12 -1.06 3.66 0.00 -1.83 -1.49 119.26 126.31 1m90 h ALA 74 Ca -0.17 0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.13 1m90 h ALA 74 Cb 1.06 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 1m90 h ALA 74 CO 0.43 -0.67 0.64 1.96 0.00 0.00 0.00 179.25 181.61 1m90 h GLN 75 N -0.24 0.35 0.19 0.00 4.20 -1.94 -0.51 115.11 117.17 1m90 h GLN 75 Ca 0.15 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.59 1m90 h GLN 75 Cb 0.48 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.21 1m90 h GLN 75 CO -0.44 0.23 -1.11 0.93 -0.67 0.00 0.00 178.83 177.77 1m90 h GLU 76 N 0.36 0.41 -0.37 1.46 5.08 -1.71 -2.48 114.58 117.33 1m90 h GLU 76 Ca 0.69 -0.70 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1m90 h GLU 76 Cb 1.67 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 1m90 h GLU 76 CO -0.47 1.33 0.13 0.28 -1.00 0.00 0.00 179.01 179.28 1m90 h VAL 77 N -0.14 1.15 0.01 3.13 2.07 -0.51 -2.38 116.25 119.58 1m90 h VAL 77 Ca -0.19 -0.50 -0.21 0.00 0.82 0.00 0.00 66.70 66.62 1m90 h VAL 77 Cb 1.88 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1m90 h VAL 77 CO 0.21 0.19 -1.00 0.00 0.02 0.00 0.00 177.57 176.99 1m90 h ALA 78 N 1.62 0.36 0.00 1.67 0.00 -1.22 -3.31 119.26 118.39 1m90 h ALA 78 Ca 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1m90 h ALA 78 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1m90 h ALA 78 CO -0.01 1.21 0.00 0.66 0.00 0.00 0.00 179.25 181.11 1m90 h SER 79 N 0.01 0.00 -0.16 0.00 4.64 -0.93 -2.77 113.55 114.33 1m90 h SER 79 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1m90 h SER 79 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1m90 h SER 79 CO 0.13 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.98 1m90 n ARG 80 N -2.83 1.60 0.00 4.77 1.85 -1.20 -5.10 116.66 115.74 1m90 n ARG 80 Ca -0.00 -0.90 0.00 0.00 -1.00 0.00 0.00 57.85 55.94 1m90 n ARG 80 Cb 0.20 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1m90 n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06