#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmt s PRO 6 N 0.00 2.80 -0.09 0.52 0.04 -1.26 -4.92 135.00 132.09 1xmt s PRO 6 Ca 0.00 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1xmt s PRO 6 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1xmt s PRO 6 CO 0.00 -1.33 1.10 0.21 0.04 0.00 0.00 177.00 177.02 1xmt s LYS 7 N -3.47 4.38 -0.07 4.56 2.47 -1.26 -5.00 119.74 121.35 1xmt s LYS 7 Ca 0.77 1.52 0.03 0.00 -1.56 0.00 0.00 55.97 56.74 1xmt s LYS 7 Cb -0.30 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.49 1xmt s LYS 7 CO 0.36 -0.40 -0.17 0.42 0.16 0.00 0.00 175.35 175.72 1xmt s ILE 8 N 2.20 2.80 0.28 5.43 1.01 -1.26 -3.41 121.20 128.24 1xmt s ILE 8 Ca 0.52 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 60.48 1xmt s ILE 8 Cb -0.21 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1xmt s ILE 8 CO 0.19 0.57 -0.16 0.68 0.00 0.00 0.00 174.94 176.22 1xmt s VAL 9 N -0.32 2.69 -0.35 2.92 -7.23 0.39 -4.92 120.40 113.58 1xmt s VAL 9 Ca 0.02 -2.30 -0.11 0.00 -1.81 0.00 0.00 61.98 57.78 1xmt s VAL 9 Cb -0.13 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1xmt s VAL 9 CO 0.02 -0.39 0.20 0.86 -0.31 0.00 0.00 175.10 175.48 1xmt s TRP 10 N -2.47 3.22 -0.86 2.82 -0.00 -1.26 -0.82 118.94 119.57 1xmt s TRP 10 Ca 0.30 -0.74 -0.10 0.00 -0.00 0.00 0.00 56.10 55.56 1xmt s TRP 10 Cb -0.05 -2.42 0.22 0.00 -0.00 0.00 0.00 33.47 31.22 1xmt s TRP 10 CO 0.16 -0.55 0.79 1.21 -0.00 0.00 0.00 176.95 178.55 1xmt s ASN 11 N 1.60 6.56 0.32 5.86 3.84 0.42 -4.91 114.94 128.63 1xmt s ASN 11 Ca 0.03 -3.01 0.02 0.00 0.21 0.00 0.00 52.86 50.11 1xmt s ASN 11 Cb -0.18 -2.12 0.58 0.00 -0.55 0.00 0.00 41.25 38.97 1xmt s ASN 11 CO 0.07 -0.44 1.96 -0.33 -2.79 0.00 0.00 177.10 175.57 1xmt h GLU 12 N 7.24 0.93 0.00 0.43 5.08 -1.96 -1.78 114.58 124.53 1xmt h GLU 12 Ca 0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1xmt h GLU 12 Cb 0.97 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1xmt h GLU 12 CO 0.81 0.61 -0.03 0.78 -1.00 0.00 0.00 179.01 180.18 1xmt h GLY 13 N 0.95 0.00 -1.42 -3.84 0.00 -1.93 -0.92 103.07 95.91 1xmt h GLY 13 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1xmt h GLY 13 CO -0.10 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.72 1xmt n LYS 14 N -3.65 2.91 -4.12 4.80 5.02 -0.95 -5.00 118.16 117.17 1xmt n LYS 14 Ca -0.03 -2.38 -0.32 0.00 -2.02 0.00 0.00 58.31 53.57 1xmt n LYS 14 Cb 0.12 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 1xmt n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xmt n ARG 15 N 0.10 -1.55 -3.74 1.97 1.74 -0.35 -4.87 116.66 109.95 1xmt n ARG 15 Ca 0.16 0.21 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1xmt n ARG 15 Cb 0.62 -3.73 -0.07 0.00 -1.02 0.00 0.00 32.46 28.26 1xmt n ARG 15 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1xmt s ARG 16 N -7.05 0.79 -0.11 5.56 1.70 -0.73 -1.19 118.95 117.93 1xmt s ARG 16 Ca 0.12 -0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 54.88 1xmt s ARG 16 Cb -0.06 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1xmt s ARG 16 CO 0.95 -0.25 0.16 -0.06 -1.08 0.00 0.00 175.30 175.02 1xmt s PHE 17 N -2.28 3.61 0.09 5.89 0.40 -0.30 -0.44 117.98 124.94 1xmt s PHE 17 Ca -0.07 0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 56.69 1xmt s PHE 17 Cb -0.02 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1xmt s PHE 17 CO -0.02 0.73 0.30 -1.83 0.70 0.00 0.00 175.22 175.11 1xmt s GLU 18 N -1.07 0.92 0.86 0.44 -1.05 -0.00 -0.67 118.70 118.12 1xmt s GLU 18 Ca 0.16 -0.73 -0.10 0.00 -0.15 0.00 0.00 54.97 54.15 1xmt s GLU 18 Cb -0.12 0.39 0.11 0.00 -0.44 0.00 0.00 34.13 34.07 1xmt s GLU 18 CO 0.05 -0.32 1.12 0.95 0.95 0.00 0.00 175.26 178.01 1xmt s THR 19 N -3.45 2.57 0.47 1.83 -4.23 -0.24 -0.46 115.64 112.13 1xmt s THR 19 Ca 0.01 0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.86 1xmt s THR 19 Cb 0.02 -2.40 0.21 0.00 1.34 0.00 0.00 72.50 71.67 1xmt s THR 19 CO -0.09 -0.24 2.03 -0.33 -0.54 0.00 0.00 174.62 175.45 1xmt h GLU 20 N -1.59 0.00 0.00 3.99 5.08 -1.91 0.16 114.58 120.31 1xmt h GLU 20 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xmt h GLU 20 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xmt h GLU 20 CO 0.46 0.13 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 1xmt n ASP 21 N -4.38 0.00 0.00 1.42 5.68 -1.26 -4.90 116.55 113.11 1xmt n ASP 21 Ca -0.03 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 1xmt n ASP 21 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1xmt n ASP 21 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1xmt n HIS 22 N -0.88 0.00 0.04 2.11 8.25 0.56 -4.87 115.22 120.44 1xmt n HIS 22 Ca 0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1xmt n HIS 22 Cb 0.08 -0.58 -0.12 0.00 1.12 0.00 0.00 29.99 30.48 1xmt n HIS 22 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1xmt h GLU 23 N 1.74 0.01 -6.27 -0.41 4.39 -1.91 -3.44 114.58 108.68 1xmt h GLU 23 Ca 0.00 -0.01 -0.67 0.00 0.34 0.00 0.00 59.36 59.02 1xmt h GLU 23 Cb 0.04 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.39 1xmt h GLU 23 CO 0.00 0.90 -0.88 0.00 -1.16 0.00 0.00 179.01 177.87 1xmt s ALA 24 N -2.69 2.05 0.19 3.43 0.00 -1.26 -4.38 121.76 119.10 1xmt s ALA 24 Ca -0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1xmt s ALA 24 Cb 0.10 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1xmt s ALA 24 CO 0.82 0.47 0.57 -0.59 0.00 0.00 0.00 175.76 177.02 1xmt s PHE 25 N -0.43 -0.27 -0.09 0.00 -0.12 -0.30 -1.08 117.98 115.69 1xmt s PHE 25 Ca 0.05 -0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1xmt s PHE 25 Cb -0.11 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1xmt s PHE 25 CO 0.01 -0.92 -0.13 -1.50 -0.05 0.00 0.00 175.22 172.62 1xmt s ILE 26 N -3.83 1.32 0.02 -4.49 2.07 0.15 -0.24 121.20 116.20 1xmt s ILE 26 Ca 0.06 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 1xmt s ILE 26 Cb -0.01 -1.22 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1xmt s ILE 26 CO -0.05 0.40 0.11 -0.70 -1.91 0.00 0.00 174.94 172.78 1xmt s GLU 27 N 0.95 3.11 0.21 3.50 2.12 0.54 -1.15 118.70 127.98 1xmt s GLU 27 Ca -0.08 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1xmt s GLU 27 Cb -0.15 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 1xmt s GLU 27 CO -0.00 0.63 0.08 1.52 -0.54 0.00 0.00 175.26 176.95 1xmt s TYR 28 N -1.28 1.30 -0.05 5.30 -0.85 -0.33 -1.07 117.35 120.36 1xmt s TYR 28 Ca 0.26 -1.21 0.03 0.00 -0.52 0.00 0.00 57.07 55.62 1xmt s TYR 28 Cb -0.12 -0.72 0.01 0.00 0.38 0.00 0.00 41.96 41.50 1xmt s TYR 28 CO 0.18 -0.42 -0.12 0.15 -1.52 0.00 0.00 175.55 173.82 1xmt s LYS 29 N -4.05 1.49 0.10 -3.49 1.02 0.05 -4.84 119.74 110.03 1xmt s LYS 29 Ca 0.34 -0.41 -0.16 0.00 0.02 0.00 0.00 55.97 55.76 1xmt s LYS 29 Cb 0.07 -1.28 -0.07 0.00 -0.52 0.00 0.00 37.83 36.03 1xmt s LYS 29 CO 0.10 0.08 0.54 -1.64 -0.92 0.00 0.00 175.35 173.52 1xmt s MET 30 N 0.44 4.06 0.13 1.68 -1.94 -1.26 -0.40 119.30 122.02 1xmt s MET 30 Ca -0.10 0.58 0.01 0.00 -1.71 0.00 0.00 55.69 54.47 1xmt s MET 30 Cb -0.13 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 1xmt s MET 30 CO 0.02 0.56 -0.01 1.03 -0.01 0.00 0.00 175.02 176.62 1xmt s ARG 31 N -1.54 0.95 -1.08 2.03 0.52 0.36 -4.87 118.95 115.31 1xmt s ARG 31 Ca 0.33 -1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 54.03 1xmt s ARG 31 Cb -0.17 -0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.14 1xmt s ARG 31 CO 0.18 -0.12 0.90 -1.71 0.02 0.00 0.00 175.30 174.57 1xmt n ASN 32 N -0.12 -6.07 -3.80 0.23 5.15 -1.26 -1.58 115.26 107.82 1xmt n ASN 32 Ca -0.09 -0.76 -0.27 0.00 -0.60 0.00 0.00 54.58 52.86 1xmt n ASN 32 Cb 0.62 -4.86 0.04 0.00 -0.53 0.00 0.00 39.78 35.06 1xmt n ASN 32 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xmt n ASN 33 N -3.12 -4.90 -0.01 1.20 4.13 -1.26 -1.70 115.26 109.60 1xmt n ASN 33 Ca -0.09 -0.71 -0.00 0.00 1.68 0.00 0.00 54.58 55.46 1xmt n ASN 33 Cb 0.62 -4.26 -0.00 0.00 -1.54 0.00 0.00 39.78 34.60 1xmt n ASN 33 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xmt n GLY 34 N -1.76 0.47 0.05 7.41 0.00 -1.09 -4.91 105.19 105.36 1xmt n GLY 34 Ca -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1xmt n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xmt n LYS 35 N -2.73 0.25 -4.35 1.61 5.02 -0.69 -4.85 118.16 112.42 1xmt n LYS 35 Ca -0.00 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 1xmt n LYS 35 Cb 0.04 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.25 1xmt n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xmt s VAL 36 N -3.15 0.79 -0.31 -0.18 1.01 -0.61 -1.81 120.40 116.14 1xmt s VAL 36 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1xmt s VAL 36 Cb 0.14 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1xmt s VAL 36 CO 0.74 0.28 0.09 -0.32 0.00 0.00 0.00 175.10 175.89 1xmt s MET 37 N 0.78 3.00 -0.37 2.72 1.75 0.73 -0.49 119.30 127.41 1xmt s MET 37 Ca -0.13 -0.92 -0.19 0.00 -1.25 0.00 0.00 55.69 53.20 1xmt s MET 37 Cb -0.15 -3.40 0.00 0.00 2.84 0.00 0.00 34.83 34.12 1xmt s MET 37 CO 0.02 -0.49 0.53 0.34 -0.65 0.00 0.00 175.02 174.77 1xmt s ASP 38 N 1.49 6.31 -0.53 1.11 -1.08 0.47 -1.14 116.67 123.29 1xmt s ASP 38 Ca 0.02 -0.13 -0.26 0.00 -0.52 0.00 0.00 52.55 51.66 1xmt s ASP 38 Cb -0.18 -2.28 0.03 0.00 -1.46 0.00 0.00 42.92 39.04 1xmt s ASP 38 CO 0.03 -0.54 1.02 -0.76 0.52 0.00 0.00 175.17 175.43 1xmt s LEU 39 N 2.45 3.86 -0.10 -1.34 1.43 -0.13 -0.77 118.68 124.10 1xmt s LEU 39 Ca 0.19 -0.04 0.20 0.00 -1.03 0.00 0.00 54.13 53.44 1xmt s LEU 39 Cb -0.15 -3.07 -0.29 0.00 0.03 0.00 0.00 46.19 42.71 1xmt s LEU 39 CO 0.14 -1.25 0.30 1.33 0.23 0.00 0.00 176.35 177.10 1xmt n VAL 40 N 6.44 0.55 -3.64 -1.59 0.24 -0.24 -0.77 118.33 119.33 1xmt n VAL 40 Ca 0.05 -0.62 -0.05 0.00 -2.04 0.00 0.00 64.34 61.68 1xmt n VAL 40 Cb 0.48 -0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.60 1xmt n VAL 40 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xmt s HIS 41 N -3.05 -0.91 -0.12 6.34 5.65 -1.16 -3.90 115.29 118.15 1xmt s HIS 41 Ca -0.08 1.79 0.01 0.00 0.25 0.00 0.00 55.06 57.02 1xmt s HIS 41 Cb 0.10 0.54 -0.01 0.00 -1.18 0.00 0.00 32.58 32.03 1xmt s HIS 41 CO 0.84 -0.45 -0.14 0.99 -0.65 0.00 0.00 174.74 175.33 1xmt s THR 42 N 1.63 2.98 -0.08 0.89 2.01 -1.26 -0.34 115.64 121.47 1xmt s THR 42 Ca -0.09 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1xmt s THR 42 Cb -0.05 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1xmt s THR 42 CO -0.18 0.53 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.74 1xmt s TYR 43 N 0.23 1.22 -0.11 4.92 5.04 0.67 -4.99 117.35 124.34 1xmt s TYR 43 Ca -0.09 -0.51 -0.01 0.00 -2.44 0.00 0.00 57.07 54.03 1xmt s TYR 43 Cb -0.15 -1.02 0.03 0.00 0.35 0.00 0.00 41.96 41.16 1xmt s TYR 43 CO 0.05 -0.37 -0.06 0.08 -1.34 0.00 0.00 175.55 173.91 1xmt s VAL 44 N 1.34 0.93 0.68 3.14 1.01 -1.26 -1.15 120.40 125.10 1xmt s VAL 44 Ca -0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1xmt s VAL 44 Cb -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1xmt s VAL 44 CO -0.03 0.35 1.14 -2.16 0.00 0.00 0.00 175.10 174.40 1xmt s PRO 45 N 1.75 2.57 0.36 2.72 0.04 -1.26 -4.84 135.00 136.34 1xmt s PRO 45 Ca 0.05 1.53 0.12 0.00 0.04 0.00 0.00 61.00 62.73 1xmt s PRO 45 Cb -0.12 -1.91 0.90 0.00 0.04 0.00 0.00 34.50 33.41 1xmt s PRO 45 CO -0.08 -1.45 1.83 0.77 0.04 0.00 0.00 177.00 178.11 1xmt h SER 46 N -0.06 0.60 0.67 6.66 0.02 -1.99 0.16 113.55 119.61 1xmt h SER 46 Ca -0.47 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1xmt h SER 46 Cb 1.26 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1xmt h SER 46 CO 0.52 0.25 0.00 2.22 -1.14 0.00 0.00 176.83 178.69 1xmt n PHE 47 N -4.60 0.23 0.31 3.45 -1.74 -1.26 -1.74 117.46 112.10 1xmt n PHE 47 Ca 0.20 0.09 0.07 0.00 -0.56 0.00 0.00 57.45 57.25 1xmt n PHE 47 Cb 0.59 -0.64 0.11 0.00 1.52 0.00 0.00 39.48 41.06 1xmt n PHE 47 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1xmt n LYS 48 N -1.71 1.65 -1.89 3.97 5.02 0.02 -5.01 118.16 120.22 1xmt n LYS 48 Ca 0.04 -1.66 -0.33 0.00 -2.02 0.00 0.00 58.31 54.33 1xmt n LYS 48 Cb 0.22 -1.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1xmt n LYS 48 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xmt s ARG 49 N -1.13 2.99 0.00 1.97 0.52 -0.71 -3.79 118.95 118.81 1xmt s ARG 49 Ca 0.21 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1xmt s ARG 49 Cb 0.13 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1xmt s ARG 49 CO 0.19 -1.10 0.00 0.41 0.02 0.00 0.00 175.30 174.82 1xmt n GLY 50 N -0.52 0.74 0.83 -3.53 0.00 -1.26 -4.92 105.19 96.53 1xmt n GLY 50 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1xmt n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xmt n LEU 51 N 0.00 2.99 -0.45 0.99 4.77 -1.25 -4.97 117.00 119.09 1xmt n LEU 51 Ca 0.00 -1.64 -0.06 0.00 -0.03 0.00 0.00 56.01 54.28 1xmt n LEU 51 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1xmt n LEU 51 CO 0.00 0.69 -0.06 0.61 -1.33 0.00 0.00 177.39 177.30 1xmt n GLY 52 N 0.95 0.81 0.28 -0.72 0.00 -1.26 -4.93 105.19 100.33 1xmt n GLY 52 Ca 0.14 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1xmt n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xmt h LEU 53 N 0.00 0.95 -0.54 0.99 3.38 -1.93 -1.38 115.31 116.78 1xmt h LEU 53 Ca -0.12 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1xmt h LEU 53 Cb 0.52 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1xmt h LEU 53 CO 0.18 1.12 0.30 0.00 0.09 0.00 0.00 178.44 180.12 1xmt h ALA 54 N 0.95 0.70 -0.40 1.53 0.00 -1.94 0.14 119.26 120.23 1xmt h ALA 54 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xmt h ALA 54 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xmt h ALA 54 CO 0.06 -0.02 -0.21 0.77 0.00 0.00 0.00 179.25 179.85 1xmt h SER 55 N 0.58 0.88 -0.64 0.00 0.02 -1.92 -1.17 113.55 111.30 1xmt h SER 55 Ca 0.23 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1xmt h SER 55 Cb 0.10 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1xmt h SER 55 CO -0.14 1.10 0.29 0.45 -1.14 0.00 0.00 176.83 177.39 1xmt h HIS 56 N 0.67 0.97 -0.48 3.45 -0.00 -0.77 0.30 115.15 119.29 1xmt h HIS 56 Ca 0.09 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1xmt h HIS 56 Cb 0.77 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1xmt h HIS 56 CO 0.06 0.73 0.24 -0.07 -0.00 0.00 0.00 177.93 178.89 1xmt h LEU 57 N 0.96 0.62 -0.39 2.43 3.38 -0.54 -1.17 115.31 120.60 1xmt h LEU 57 Ca 0.23 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xmt h LEU 57 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xmt h LEU 57 CO -0.02 0.56 0.25 0.00 0.09 0.00 0.00 178.44 179.32 1xmt h VAL 59 N 0.51 1.07 -0.67 0.00 2.07 -0.73 0.99 116.25 119.48 1xmt h VAL 59 Ca 0.15 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1xmt h VAL 59 Cb -0.03 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 1xmt h VAL 59 CO -0.05 0.16 0.43 0.00 0.02 0.00 0.00 177.57 178.13 1xmt h ALA 60 N 1.32 0.86 -0.43 1.67 0.00 -0.79 0.17 119.26 122.08 1xmt h ALA 60 Ca 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1xmt h ALA 60 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xmt h ALA 60 CO -0.13 0.21 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 1xmt h ALA 61 N 1.27 0.59 -0.51 0.00 0.00 -0.62 -1.74 119.26 118.24 1xmt h ALA 61 Ca 0.26 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xmt h ALA 61 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xmt h ALA 61 CO -0.09 0.46 -0.07 0.74 0.00 0.00 0.00 179.25 180.30 1xmt h PHE 62 N 0.65 1.06 -0.75 0.00 -1.00 -0.51 -0.22 116.94 116.17 1xmt h PHE 62 Ca 0.11 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 1xmt h PHE 62 Cb 0.63 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 1xmt h PHE 62 CO 0.05 0.99 0.37 0.93 -1.61 0.00 0.00 178.31 179.05 1xmt h GLU 63 N 0.82 1.07 0.01 1.51 4.39 -0.59 0.96 114.58 122.76 1xmt h GLU 63 Ca 0.14 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1xmt h GLU 63 Cb 0.62 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xmt h GLU 63 CO 0.04 0.83 -0.01 1.25 -1.16 0.00 0.00 179.01 179.96 1xmt h HIS 64 N 1.05 -0.02 -0.58 4.33 2.76 -0.96 -0.30 115.15 121.43 1xmt h HIS 64 Ca 0.26 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1xmt h HIS 64 Cb 0.10 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1xmt h HIS 64 CO 0.01 -0.01 0.31 0.00 -1.30 0.00 0.00 177.93 176.94 1xmt h ALA 65 N 0.97 0.75 -0.36 5.26 0.00 -0.76 -2.00 119.26 123.11 1xmt h ALA 65 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xmt h ALA 65 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xmt h ALA 65 CO 0.00 0.27 0.15 1.03 0.00 0.00 0.00 179.25 180.70 1xmt h SER 66 N 0.79 0.50 -0.19 0.00 0.87 -0.64 -0.36 113.55 114.51 1xmt h SER 66 Ca 0.20 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1xmt h SER 66 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1xmt h SER 66 CO -0.03 0.53 0.08 -1.28 -0.53 0.00 0.00 176.83 175.59 1xmt h SER 67 N 0.44 0.31 -0.51 6.23 0.87 -0.79 -2.42 113.55 117.69 1xmt h SER 67 Ca 0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1xmt h SER 67 Cb 0.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xmt h SER 67 CO -0.01 0.31 0.00 1.41 -0.53 0.00 0.00 176.83 178.01 1xmt n HIS 68 N -4.41 0.66 -3.05 2.24 8.25 -0.78 -4.96 115.22 113.18 1xmt n HIS 68 Ca 0.01 -0.33 -0.23 0.00 -0.26 0.00 0.00 57.72 56.91 1xmt n HIS 68 Cb 0.14 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.28 1xmt n HIS 68 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1xmt n SER 69 N 1.40 -6.00 -4.87 0.41 7.64 -0.30 -5.00 113.62 106.91 1xmt n SER 69 Ca 0.21 -0.30 -0.37 0.00 1.01 0.00 0.00 58.87 59.42 1xmt n SER 69 Cb 0.57 -4.85 -0.06 0.00 -1.01 0.00 0.00 64.21 58.86 1xmt n SER 69 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xmt s ILE 70 N -3.17 5.40 0.36 0.44 1.01 -0.30 -4.98 121.20 119.95 1xmt s ILE 70 Ca 0.31 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1xmt s ILE 70 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1xmt s ILE 70 CO 0.39 0.59 0.56 -0.94 0.00 0.00 0.00 174.94 175.54 1xmt s SER 71 N -1.09 6.27 -0.04 3.58 1.04 -0.75 -4.39 113.70 118.33 1xmt s SER 71 Ca 0.18 0.45 0.06 0.00 0.48 0.00 0.00 55.95 57.11 1xmt s SER 71 Cb -0.13 -2.01 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1xmt s SER 71 CO 0.07 -0.32 -0.20 -0.63 0.98 0.00 0.00 173.24 173.14 1xmt s ILE 72 N -2.34 2.57 -0.22 -1.02 -1.09 -0.07 -0.20 121.20 118.83 1xmt s ILE 72 Ca 0.41 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1xmt s ILE 72 Cb -0.10 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 1xmt s ILE 72 CO 0.36 0.58 0.09 -0.63 -1.23 0.00 0.00 174.94 174.12 1xmt s ILE 73 N -0.63 4.77 -1.24 2.92 -1.09 -0.30 -0.84 121.20 124.80 1xmt s ILE 73 Ca 0.10 -0.03 -0.08 0.00 -2.23 0.00 0.00 60.65 58.41 1xmt s ILE 73 Cb -0.11 -3.20 0.20 0.00 -1.58 0.00 0.00 42.46 37.77 1xmt s ILE 73 CO 0.00 0.38 1.80 -0.81 -1.23 0.00 0.00 174.94 175.08 1xmt n PRO 74 N 4.27 3.84 -0.04 2.79 -0.04 -1.26 -0.95 135.00 143.60 1xmt n PRO 74 Ca -0.16 -3.75 -0.16 0.00 -0.04 0.00 0.00 63.50 59.39 1xmt n PRO 74 Cb 0.52 -2.83 -0.07 0.00 -0.04 0.00 0.00 33.50 31.08 1xmt n PRO 74 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xmt h SER 75 N 5.64 0.79 -2.13 3.54 0.02 -1.68 -3.38 113.55 116.35 1xmt h SER 75 Ca 0.36 -0.60 -0.62 0.00 -0.84 0.00 0.00 61.79 60.09 1xmt h SER 75 Cb 0.62 -0.23 0.07 0.00 0.14 0.00 0.00 62.40 62.99 1xmt h SER 75 CO 1.56 1.26 0.56 0.00 -1.14 0.00 0.00 176.83 179.07 1xmt h SER 77 N 4.69 0.00 -0.28 0.00 4.64 -1.87 -1.34 113.55 119.39 1xmt h SER 77 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1xmt h SER 77 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1xmt h SER 77 CO 0.79 0.31 0.10 0.22 -0.87 0.00 0.00 176.83 177.38 1xmt h TYR 78 N 0.00 0.44 -0.15 4.77 3.20 -1.94 0.21 116.97 123.51 1xmt h TYR 78 Ca -0.00 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1xmt h TYR 78 Cb 0.55 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1xmt h TYR 78 CO 0.00 0.46 0.09 0.28 -1.64 0.00 0.00 178.16 177.35 1xmt h VAL 79 N 0.30 1.07 -0.02 1.81 2.07 -1.76 0.66 116.25 120.38 1xmt h VAL 79 Ca 0.09 -0.17 -0.26 0.00 0.82 0.00 0.00 66.70 67.18 1xmt h VAL 79 Cb 0.22 0.92 0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1xmt h VAL 79 CO -0.00 0.06 -1.00 0.77 0.02 0.00 0.00 177.57 177.42 1xmt h SER 80 N 0.17 0.91 0.60 0.57 4.64 -1.20 -0.36 113.55 118.88 1xmt h SER 80 Ca 0.05 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1xmt h SER 80 Cb 0.03 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1xmt h SER 80 CO -0.01 1.51 -1.38 0.47 -0.87 0.00 0.00 176.83 176.56 1xmt n ASP 81 N -3.88 0.52 0.05 4.97 8.00 0.73 -4.37 116.55 122.58 1xmt n ASP 81 Ca -0.11 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1xmt n ASP 81 Cb 0.86 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 1xmt n ASP 81 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xmt n THR 82 N -2.49 0.85 0.10 -3.53 -1.04 -0.22 -4.71 114.28 103.24 1xmt n THR 82 Ca -0.01 0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1xmt n THR 82 Cb 0.55 -1.45 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 1xmt n THR 82 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1xmt h PHE 83 N 0.00 -0.21 -0.42 -1.42 3.57 -0.89 -2.60 116.94 114.98 1xmt h PHE 83 Ca 0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1xmt h PHE 83 Cb 0.21 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1xmt h PHE 83 CO 0.00 0.02 0.02 -0.07 -2.23 0.00 0.00 178.31 176.06 1xmt h LEU 84 N -0.41 0.70 -1.45 0.59 3.38 -1.28 -0.17 115.31 116.66 1xmt h LEU 84 Ca -0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1xmt h LEU 84 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xmt h LEU 84 CO 0.04 0.82 -0.05 -0.65 0.09 0.00 0.00 178.44 178.68 1xmt h PRO 85 N 0.56 0.29 0.00 1.13 0.11 -1.76 -1.88 132.00 130.46 1xmt h PRO 85 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1xmt h PRO 85 Cb 0.45 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1xmt h PRO 85 CO 0.02 0.37 -0.20 0.00 -0.21 0.00 0.00 178.00 177.97 1xmt h ARG 86 N 0.28 0.00 -2.07 1.05 3.08 -1.20 -3.37 114.38 112.15 1xmt h ARG 86 Ca 0.06 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.58 1xmt h ARG 86 Cb 0.28 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.93 1xmt h ARG 86 CO 0.01 0.00 -1.01 0.09 -1.07 0.00 0.00 179.97 177.99 1xmt n ASN 87 N -2.40 1.60 0.15 7.04 3.02 -0.10 -4.96 115.26 119.61 1xmt n ASN 87 Ca 0.04 -3.08 0.12 0.00 -0.03 0.00 0.00 54.58 51.63 1xmt n ASN 87 Cb 0.46 -0.62 0.53 0.00 -0.61 0.00 0.00 39.78 39.54 1xmt n ASN 87 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1xmt h PRO 88 N 3.43 0.00 0.00 3.52 0.13 -1.68 -1.52 132.00 135.88 1xmt h PRO 88 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xmt h PRO 88 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xmt h PRO 88 CO 0.58 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.01 1xmt h SER 89 N 0.00 0.00 0.84 1.44 4.64 -1.93 -0.78 113.55 117.76 1xmt h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmt h SER 89 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1xmt h SER 89 CO 0.00 0.00 -0.27 0.79 -0.87 0.00 0.00 176.83 176.48 1xmt n TRP 90 N -2.59 0.16 -0.26 4.77 7.02 -0.57 -4.30 117.44 121.66 1xmt n TRP 90 Ca -0.00 0.05 0.10 0.00 -1.02 0.00 0.00 57.50 56.63 1xmt n TRP 90 Cb 0.15 -0.47 0.36 0.00 -2.42 0.00 0.00 31.31 28.94 1xmt n TRP 90 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1xmt h LYS 91 N 0.00 0.71 0.00 -0.99 1.57 -1.29 -1.55 116.57 115.01 1xmt h LYS 91 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xmt h LYS 91 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xmt h LYS 91 CO 0.00 0.47 0.11 -1.35 -0.57 0.00 0.00 179.45 178.11 1xmt h PRO 92 N 0.73 0.00 0.00 3.15 0.11 -1.79 -0.98 132.00 133.22 1xmt h PRO 92 Ca 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.53 1xmt h PRO 92 Cb 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xmt h PRO 92 CO -0.18 0.00 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.53 1xmt h LEU 93 N 0.00 0.00 -9.77 2.35 -0.00 -1.60 -3.45 115.31 102.84 1xmt h LEU 93 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 1xmt h LEU 93 Cb 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 40.92 1xmt h LEU 93 CO 0.00 0.00 0.61 -0.63 -0.00 0.00 0.00 178.44 178.43 1xmt s ILE 94 N -3.50 3.10 0.26 1.22 -1.09 -0.37 -0.89 121.20 119.93 1xmt s ILE 94 Ca 0.03 1.00 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 1xmt s ILE 94 Cb 0.07 -3.64 -0.13 0.00 -1.58 0.00 0.00 42.46 37.18 1xmt s ILE 94 CO 0.59 0.20 1.32 1.57 -1.23 0.00 0.00 174.94 177.38 1xmt n HIS 95 N 1.77 2.02 0.29 3.97 -0.00 -0.02 -4.75 115.22 118.49 1xmt n HIS 95 Ca 0.03 0.51 0.17 0.00 -0.00 0.00 0.00 57.72 58.42 1xmt n HIS 95 Cb 0.43 -2.41 0.83 0.00 -0.00 0.00 0.00 29.99 28.83 1xmt n HIS 95 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1xmt h SER 96 N 3.54 0.00 0.60 0.26 4.64 -1.92 -1.74 113.55 118.93 1xmt h SER 96 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1xmt h SER 96 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xmt h SER 96 CO 0.71 0.06 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.85 1xmt n GLU 97 N -3.30 0.21 0.11 4.77 -0.58 -1.26 -4.43 120.64 116.16 1xmt n GLU 97 Ca -0.01 -0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.51 1xmt n GLU 97 Cb 0.23 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 1xmt n GLU 97 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xmt h VAL 98 N 0.21 0.28 0.00 2.62 2.07 -1.67 -3.55 116.25 116.20 1xmt h VAL 98 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xmt h VAL 98 Cb 0.47 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xmt h VAL 98 CO 0.00 0.00 0.00 2.22 0.02 0.00 0.00 177.57 179.81