#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxm n PHE 5 N 0.00 -0.55 -3.39 1.20 7.35 -1.26 -5.03 117.46 115.78 1nxm n PHE 5 Ca 0.00 0.10 -0.33 0.00 -0.76 0.00 0.00 57.45 56.45 1nxm n PHE 5 Cb 0.00 0.41 -0.06 0.00 0.35 0.00 0.00 39.48 40.18 1nxm n PHE 5 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1nxm s PHE 6 N -2.00 3.49 -0.05 -5.13 0.40 -1.26 -4.48 117.98 108.95 1nxm s PHE 6 Ca 0.00 0.95 0.00 0.00 -0.60 0.00 0.00 56.93 57.28 1nxm s PHE 6 Cb 0.00 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1nxm s PHE 6 CO 0.00 0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.66 1nxm n GLY 7 N 0.23 0.47 3.75 4.36 0.00 0.06 -4.90 105.19 109.17 1nxm n GLY 7 Ca -0.02 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1nxm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nxm s LYS 8 N -0.79 2.72 0.15 1.61 1.02 -1.26 -4.94 119.74 118.24 1nxm s LYS 8 Ca 0.00 1.70 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 1nxm s LYS 8 Cb 0.00 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1nxm s LYS 8 CO 0.00 -1.38 0.99 0.99 -0.92 0.00 0.00 175.35 175.03 1nxm s THR 9 N -1.88 4.30 0.11 2.17 2.01 -1.26 -3.83 115.64 117.25 1nxm s THR 9 Ca 0.74 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 64.41 1nxm s THR 9 Cb -0.27 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 67.87 1nxm s THR 9 CO 0.38 0.34 1.86 -0.11 -0.69 0.00 0.00 174.62 176.40 1nxm n LEU 10 N 2.49 4.06 -3.47 4.42 7.94 -1.26 -4.65 117.00 126.54 1nxm n LEU 10 Ca 0.02 0.97 -0.12 0.00 -1.11 0.00 0.00 56.01 55.77 1nxm n LEU 10 Cb 0.48 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 1nxm n LEU 10 CO 0.51 0.18 0.36 0.00 -1.11 0.00 0.00 177.39 177.33 1nxm s ALA 11 N 3.04 -1.48 0.01 1.96 0.00 -1.07 -4.99 121.76 119.23 1nxm s ALA 11 Ca 0.83 0.44 0.04 0.00 0.00 0.00 0.00 51.96 53.27 1nxm s ALA 11 Cb -0.48 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1nxm s ALA 11 CO 0.38 -0.72 -0.12 0.00 0.00 0.00 0.00 175.76 175.31 1nxm s ALA 12 N -3.60 0.95 -0.07 0.00 0.00 -1.26 -1.23 121.76 116.55 1nxm s ALA 12 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1nxm s ALA 12 Cb -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1nxm s ALA 12 CO -0.11 0.20 -0.11 1.03 0.00 0.00 0.00 175.76 176.77 1nxm s ARG 13 N -0.61 1.63 0.65 0.00 0.52 0.17 -4.97 118.95 116.34 1nxm s ARG 13 Ca 0.02 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 54.69 1nxm s ARG 13 Cb -0.06 -1.39 -0.00 0.00 0.52 0.00 0.00 34.95 34.02 1nxm s ARG 13 CO 0.00 -0.01 1.20 -2.14 0.02 0.00 0.00 175.30 174.37 1nxm s PRO 14 N 0.80 2.64 -0.46 3.54 0.02 -1.26 -0.69 135.00 139.59 1nxm s PRO 14 Ca -0.12 1.77 -0.16 0.00 0.02 0.00 0.00 61.00 62.51 1nxm s PRO 14 Cb -0.15 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.54 1nxm s PRO 14 CO 0.02 -1.45 0.39 0.08 -0.33 0.00 0.00 177.00 175.71 1nxm s VAL 15 N -1.80 5.23 0.22 3.83 1.01 -1.03 -4.84 120.40 123.01 1nxm s VAL 15 Ca 0.75 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1nxm s VAL 15 Cb -0.29 -4.10 0.19 0.00 0.00 0.00 0.00 36.38 32.18 1nxm s VAL 15 CO 0.39 -0.54 1.69 -0.08 0.00 0.00 0.00 175.10 176.55 1nxm h GLU 16 N 8.74 0.21 0.00 2.72 4.81 -1.94 -2.22 114.58 126.90 1nxm h GLU 16 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1nxm h GLU 16 Cb 1.11 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1nxm h GLU 16 CO 0.86 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 179.27 1nxm h ALA 17 N 1.53 1.00 -2.95 2.92 0.00 -1.93 -3.36 119.26 116.47 1nxm h ALA 17 Ca 0.34 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.64 1nxm h ALA 17 Cb 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.92 1nxm h ALA 17 CO -0.46 0.00 -0.76 0.42 0.00 0.00 0.00 179.25 178.45 1nxm s ILE 18 N -3.79 1.14 0.19 0.00 1.01 -0.83 -4.76 121.20 114.16 1nxm s ILE 18 Ca -0.01 -2.27 -0.32 0.00 0.00 0.00 0.00 60.65 58.05 1nxm s ILE 18 Cb 0.10 -1.81 -0.15 0.00 0.01 0.00 0.00 42.46 40.61 1nxm s ILE 18 CO 0.49 -0.88 1.25 -2.65 0.00 0.00 0.00 174.94 173.15 1nxm n PRO 19 N 3.79 1.46 0.00 2.79 -0.02 -1.26 -1.76 135.00 140.00 1nxm n PRO 19 Ca 0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1nxm n PRO 19 Cb 0.36 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1nxm n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nxm n GLY 20 N 2.08 3.15 3.77 -1.23 0.00 -1.26 -4.88 105.19 106.83 1nxm n GLY 20 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1nxm n GLY 20 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nxm s MET 21 N -0.43 4.17 -0.02 1.61 0.00 -0.72 -4.56 119.30 119.35 1nxm s MET 21 Ca 0.00 1.70 0.02 0.00 0.00 0.00 0.00 55.69 57.41 1nxm s MET 21 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 34.83 32.15 1nxm s MET 21 CO 0.00 -0.18 -0.07 -0.51 0.00 0.00 0.00 175.02 174.26 1nxm s LEU 22 N -2.43 1.83 -0.17 4.11 1.43 -0.94 -2.47 118.68 120.05 1nxm s LEU 22 Ca 0.56 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1nxm s LEU 22 Cb -0.27 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1nxm s LEU 22 CO 0.34 0.06 0.01 -0.70 0.23 0.00 0.00 176.35 176.29 1nxm s GLU 23 N 0.12 3.81 -0.10 1.70 2.12 0.13 -0.66 118.70 125.81 1nxm s GLU 23 Ca -0.01 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 1nxm s GLU 23 Cb -0.06 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 1nxm s GLU 23 CO -0.00 0.24 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.83 1nxm s PHE 24 N 0.41 2.95 -0.07 5.30 0.40 -0.16 -0.65 117.98 126.16 1nxm s PHE 24 Ca -0.01 -0.15 -0.25 0.00 -0.60 0.00 0.00 56.93 55.93 1nxm s PHE 24 Cb -0.13 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 1nxm s PHE 24 CO 0.02 0.16 0.76 -0.51 0.70 0.00 0.00 175.22 176.35 1nxm s ASP 25 N -0.31 7.04 -0.15 1.36 1.01 -0.37 -1.54 116.67 123.70 1nxm s ASP 25 Ca 0.04 1.26 -0.02 0.00 0.71 0.00 0.00 52.55 54.54 1nxm s ASP 25 Cb -0.13 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1nxm s ASP 25 CO 0.02 -0.18 -0.09 -0.63 0.21 0.00 0.00 175.17 174.51 1nxm s ILE 26 N 1.02 3.34 0.02 0.77 -1.09 -0.35 -2.60 121.20 122.30 1nxm s ILE 26 Ca 0.40 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.97 1nxm s ILE 26 Cb -0.18 -2.44 -0.07 0.00 -1.58 0.00 0.00 42.46 38.19 1nxm s ILE 26 CO 0.19 0.50 1.62 -2.84 -1.23 0.00 0.00 174.94 173.18 1nxm s PRO 27 N 0.58 4.20 -0.13 2.79 0.02 -1.25 -4.58 135.00 136.64 1nxm s PRO 27 Ca -0.06 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.22 1nxm s PRO 27 Cb -0.15 -3.74 0.01 0.00 0.02 0.00 0.00 34.50 30.64 1nxm s PRO 27 CO 0.03 -0.75 -0.20 0.08 -0.33 0.00 0.00 177.00 175.83 1nxm s VAL 28 N 3.12 1.91 -0.18 3.83 1.01 -1.26 -4.24 120.40 124.59 1nxm s VAL 28 Ca 0.72 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1nxm s VAL 28 Cb -0.36 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1nxm s VAL 28 CO 0.31 0.52 -0.12 -1.00 0.00 0.00 0.00 175.10 174.81 1nxm s HIS 29 N 0.84 2.85 -1.85 5.22 3.76 -0.43 -0.76 115.29 124.93 1nxm s HIS 29 Ca -0.07 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1nxm s HIS 29 Cb -0.15 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1nxm s HIS 29 CO -0.01 -0.52 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 1nxm n GLY 30 N 4.35 0.49 0.00 -2.22 0.00 -1.26 -1.49 105.19 105.07 1nxm n GLY 30 Ca -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1nxm n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nxm n ASP 31 N 0.00 0.00 0.15 1.61 5.68 -0.76 -4.98 116.55 118.25 1nxm n ASP 31 Ca 0.00 -0.55 0.18 0.00 -0.50 0.00 0.00 54.79 53.92 1nxm n ASP 31 Cb 0.00 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 40.76 1nxm n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1nxm h ASN 32 N 0.00 0.00 1.69 -1.12 -1.07 -2.04 -1.88 115.58 111.16 1nxm h ASN 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1nxm h ASN 32 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1nxm h ASN 32 CO 0.00 0.00 0.00 0.03 0.07 0.00 0.00 177.43 177.53 1nxm h ARG 33 N 0.00 0.00 0.00 4.14 3.08 -2.03 -3.48 114.38 116.09 1nxm h ARG 33 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1nxm h ARG 33 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1nxm h ARG 33 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1nxm n GLY 34 N 0.98 3.44 3.80 0.04 0.00 -0.70 -5.19 105.19 107.56 1nxm n GLY 34 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1nxm n GLY 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxm s TRP 35 N -2.00 0.08 0.02 1.61 1.48 -1.26 -1.83 118.94 117.04 1nxm s TRP 35 Ca 0.00 -0.64 -0.09 0.00 -1.06 0.00 0.00 56.10 54.31 1nxm s TRP 35 Cb 0.00 0.71 0.00 0.00 -1.16 0.00 0.00 33.47 33.03 1nxm s TRP 35 CO 0.00 -1.41 0.18 -0.59 -4.06 0.00 0.00 176.95 171.08 1nxm s PHE 36 N -3.00 0.04 0.03 1.66 -0.12 -0.55 -4.95 117.98 111.09 1nxm s PHE 36 Ca 0.15 -0.21 -0.11 0.00 -0.05 0.00 0.00 56.93 56.71 1nxm s PHE 36 Cb -0.05 -0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1nxm s PHE 36 CO 0.10 -0.38 0.24 -1.59 -0.05 0.00 0.00 175.22 173.54 1nxm s LYS 37 N -2.14 0.71 -0.77 1.99 -2.85 -1.26 -1.31 119.74 114.11 1nxm s LYS 37 Ca -0.08 -0.52 -0.19 0.00 -1.00 0.00 0.00 55.97 54.18 1nxm s LYS 37 Cb -0.03 0.30 0.12 0.00 -2.06 0.00 0.00 37.83 36.16 1nxm s LYS 37 CO -0.02 -0.21 0.93 -1.21 0.10 0.00 0.00 175.35 174.95 1nxm s GLU 38 N -2.29 3.34 0.31 1.78 2.02 -1.26 -4.93 118.70 117.67 1nxm s GLU 38 Ca -0.07 -1.53 0.03 0.00 0.02 0.00 0.00 54.97 53.43 1nxm s GLU 38 Cb -0.02 -4.53 0.50 0.00 0.10 0.00 0.00 34.13 30.17 1nxm s GLU 38 CO -0.02 -1.66 1.79 -0.97 0.02 0.00 0.00 175.26 174.42 1nxm h ASN 39 N 8.97 0.48 -3.56 -0.19 -1.24 -1.96 -3.44 115.58 114.65 1nxm h ASN 39 Ca -0.07 -0.13 -0.21 0.00 0.71 0.00 0.00 56.30 56.60 1nxm h ASN 39 Cb 1.05 -0.13 -0.29 0.00 0.73 0.00 0.00 38.32 39.68 1nxm h ASN 39 CO 1.08 0.65 -0.54 0.12 -1.29 0.00 0.00 177.43 177.46 1nxm s PHE 40 N -4.70 -0.21 -0.26 0.67 5.36 -1.26 -5.03 117.98 112.54 1nxm s PHE 40 Ca -0.07 0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1nxm s PHE 40 Cb 0.14 0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.94 1nxm s PHE 40 CO 0.78 -0.15 0.22 -1.14 -1.46 0.00 0.00 175.22 173.47 1nxm s GLN 41 N 0.75 0.24 0.19 10.12 -0.44 -1.26 -5.05 119.66 124.21 1nxm s GLN 41 Ca -0.05 -0.18 -0.12 0.00 -2.50 0.00 0.00 55.36 52.50 1nxm s GLN 41 Cb -0.07 -0.99 0.12 0.00 -1.64 0.00 0.00 33.01 30.42 1nxm s GLN 41 CO -0.04 -0.93 1.85 -0.22 0.50 0.00 0.00 175.29 176.45 1nxm h LYS 42 N 8.33 0.78 -0.80 1.67 3.64 -2.00 -0.92 116.57 127.27 1nxm h LYS 42 Ca -0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1nxm h LYS 42 Cb 1.08 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 1nxm h LYS 42 CO 0.35 0.52 0.35 1.49 -2.27 0.00 0.00 179.45 179.88 1nxm h GLU 43 N 0.80 1.17 0.00 1.90 4.81 -2.01 -1.87 114.58 119.38 1nxm h GLU 43 Ca 0.23 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1nxm h GLU 43 Cb -0.06 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1nxm h GLU 43 CO -0.07 0.93 -0.23 0.87 -0.73 0.00 0.00 179.01 179.78 1nxm h LYS 44 N 1.14 0.00 0.12 1.92 1.57 -1.94 -3.38 116.57 116.00 1nxm h LYS 44 Ca 0.27 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.71 1nxm h LYS 44 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1nxm h LYS 44 CO -0.03 0.23 -1.84 0.52 -0.57 0.00 0.00 179.45 177.77 1nxm h MET 45 N 0.00 0.25 -0.42 3.15 2.86 -0.91 -3.37 114.93 116.49 1nxm h MET 45 Ca -0.00 -0.42 0.09 0.00 -2.06 0.00 0.00 59.70 57.30 1nxm h MET 45 Cb 1.15 0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.88 1nxm h MET 45 CO 0.03 1.20 -0.15 -0.07 1.06 0.00 0.00 176.91 178.98 1nxm h LEU 46 N -0.09 -0.54 -2.34 1.22 3.38 -1.51 -1.12 115.31 114.31 1nxm h LEU 46 Ca -0.40 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1nxm h LEU 46 Cb 1.93 0.32 0.00 0.00 0.09 0.00 0.00 40.66 43.00 1nxm h LEU 46 CO 0.06 -0.19 0.00 -0.65 0.09 0.00 0.00 178.44 177.75 1nxm h PRO 47 N -0.07 0.00 -0.00 1.13 0.11 -1.76 -1.28 132.00 130.13 1nxm h PRO 47 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nxm h PRO 47 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1nxm h PRO 47 CO -0.46 0.00 -0.05 1.28 -0.21 0.00 0.00 178.00 178.56 1nxm n LEU 48 N -3.03 0.16 0.00 2.35 4.77 -0.45 -4.91 117.00 115.89 1nxm n LEU 48 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1nxm n LEU 48 Cb 0.15 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nxm n LEU 48 CO 0.22 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1nxm n GLY 49 N 1.28 0.86 3.68 -0.72 0.00 -0.48 -4.71 105.19 105.10 1nxm n GLY 49 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 1nxm n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nxm n PHE 50 N -0.68 2.38 -2.34 1.61 7.35 -1.04 -4.86 117.46 119.88 1nxm n PHE 50 Ca 0.00 0.04 -0.42 0.00 -0.76 0.00 0.00 57.45 56.32 1nxm n PHE 50 Cb 0.00 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.16 1nxm n PHE 50 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1nxm s PRO 51 N 2.69 4.43 0.51 -7.13 0.04 -1.26 -4.44 135.00 129.85 1nxm s PRO 51 Ca 0.85 1.89 0.22 0.00 0.04 0.00 0.00 61.00 64.01 1nxm s PRO 51 Cb -0.63 -3.27 1.32 0.00 0.04 0.00 0.00 34.50 31.96 1nxm s PRO 51 CO 0.43 -0.21 2.00 1.49 0.04 0.00 0.00 177.00 180.75 1nxm h GLU 52 N 6.00 0.07 0.00 4.56 4.57 -1.93 -1.78 114.58 126.07 1nxm h GLU 52 Ca -0.43 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1nxm h GLU 52 Cb 1.21 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1nxm h GLU 52 CO 0.79 0.05 -0.01 0.66 -1.18 0.00 0.00 179.01 179.32 1nxm h SER 53 N 0.07 0.00 -0.80 1.04 4.64 -2.00 -0.94 113.55 115.57 1nxm h SER 53 Ca 0.24 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.68 1nxm h SER 53 Cb 0.85 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 1nxm h SER 53 CO -0.02 0.01 0.52 0.15 -0.87 0.00 0.00 176.83 176.62 1nxm h PHE 54 N 0.00 0.70 -0.10 4.77 3.57 -1.71 -2.56 116.94 121.61 1nxm h PHE 54 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1nxm h PHE 54 Cb 0.02 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1nxm h PHE 54 CO 0.00 0.29 0.00 1.19 -2.23 0.00 0.00 178.31 177.56 1nxm n PHE 55 N -4.51 0.10 0.26 0.41 3.01 -0.36 -4.65 117.46 111.72 1nxm n PHE 55 Ca 0.14 -0.05 0.08 0.00 1.01 0.00 0.00 57.45 58.63 1nxm n PHE 55 Cb 0.41 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.53 1nxm n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nxm h ALA 56 N 4.53 1.93 -0.02 4.37 0.00 -1.47 -2.23 119.26 126.36 1nxm h ALA 56 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nxm h ALA 56 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1nxm h ALA 56 CO 0.00 0.03 -0.04 0.39 0.00 0.00 0.00 179.25 179.63 1nxm n GLU 57 N -4.46 1.54 -2.16 0.00 1.02 -1.26 -4.98 120.64 110.33 1nxm n GLU 57 Ca -0.03 -1.51 -0.13 0.00 -0.02 0.00 0.00 57.16 55.48 1nxm n GLU 57 Cb 0.11 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1nxm n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nxm n GLY 58 N 1.04 -0.02 3.76 0.62 0.00 -0.84 -5.01 105.19 104.75 1nxm n GLY 58 Ca 0.10 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1nxm n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nxm s LYS 59 N -4.49 3.16 -0.17 1.61 1.02 -1.26 -5.09 119.74 114.51 1nxm s LYS 59 Ca 0.00 -0.30 -0.10 0.00 0.02 0.00 0.00 55.97 55.59 1nxm s LYS 59 Cb 0.00 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 1nxm s LYS 59 CO 0.00 0.73 0.41 -1.17 -0.92 0.00 0.00 175.35 174.40 1nxm s LEU 60 N -0.95 -0.01 -0.07 3.17 2.96 -1.26 -4.48 118.68 118.03 1nxm s LEU 60 Ca 0.14 0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 54.86 1nxm s LEU 60 Cb -0.12 1.34 0.02 0.00 0.50 0.00 0.00 46.19 47.94 1nxm s LEU 60 CO 0.03 -0.19 0.19 -1.58 -1.32 0.00 0.00 176.35 173.48 1nxm s GLN 61 N 1.24 0.21 -0.20 1.98 0.74 -0.76 -5.01 119.66 117.86 1nxm s GLN 61 Ca -0.08 0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.62 1nxm s GLN 61 Cb -0.08 0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.13 1nxm s GLN 61 CO -0.11 -0.05 -0.16 1.21 -0.55 0.00 0.00 175.29 175.64 1nxm s ASN 62 N 0.26 3.56 0.08 6.67 3.04 -1.26 -0.75 114.94 126.55 1nxm s ASN 62 Ca -0.01 -0.76 0.03 0.00 0.04 0.00 0.00 52.86 52.16 1nxm s ASN 62 Cb -0.03 -1.53 -0.04 0.00 -1.54 0.00 0.00 41.25 38.11 1nxm s ASN 62 CO -0.01 -0.04 0.07 0.20 -3.04 0.00 0.00 177.10 174.27 1nxm s ASN 63 N 1.28 5.46 -0.04 -4.21 0.02 -0.35 -4.96 114.94 112.14 1nxm s ASN 63 Ca 0.02 -0.03 0.01 0.00 -1.02 0.00 0.00 52.86 51.85 1nxm s ASN 63 Cb -0.15 -1.44 0.02 0.00 0.02 0.00 0.00 41.25 39.70 1nxm s ASN 63 CO -0.10 0.17 -0.05 -0.69 0.02 0.00 0.00 177.10 176.45 1nxm s VAL 64 N -1.37 0.58 -0.02 1.60 1.01 -1.26 -1.10 120.40 119.84 1nxm s VAL 64 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1nxm s VAL 64 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1nxm s VAL 64 CO 0.21 0.23 -0.01 -0.55 0.00 0.00 0.00 175.10 174.99 1nxm s SER 65 N 0.81 5.08 -0.18 3.32 0.15 0.09 -4.97 113.70 118.00 1nxm s SER 65 Ca -0.11 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.55 1nxm s SER 65 Cb -0.14 -1.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.87 1nxm s SER 65 CO 0.01 0.30 -0.15 0.12 1.20 0.00 0.00 173.24 174.71 1nxm s PHE 66 N -1.04 2.52 0.05 3.44 5.36 -1.26 -0.60 117.98 126.45 1nxm s PHE 66 Ca 0.18 -1.53 0.01 0.00 -0.96 0.00 0.00 56.93 54.63 1nxm s PHE 66 Cb -0.11 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.79 1nxm s PHE 66 CO 0.08 -0.75 -0.05 -1.12 -1.46 0.00 0.00 175.22 171.92 1nxm s SER 67 N 1.37 0.66 0.33 6.13 0.01 -0.68 -4.97 113.70 116.55 1nxm s SER 67 Ca 0.03 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1nxm s SER 67 Cb -0.14 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1nxm s SER 67 CO -0.11 -0.34 0.48 0.00 0.41 0.00 0.00 173.24 173.68 1nxm s ARG 68 N -2.30 3.23 0.16 12.44 1.70 -1.26 -0.99 118.95 131.93 1nxm s ARG 68 Ca -0.05 -0.80 -0.32 0.00 -0.47 0.00 0.00 55.73 54.08 1nxm s ARG 68 Cb -0.05 -2.78 -0.17 0.00 -0.57 0.00 0.00 34.95 31.39 1nxm s ARG 68 CO -0.03 0.12 0.98 1.17 -1.08 0.00 0.00 175.30 176.46 1nxm n LYS 69 N -1.66 0.72 -0.14 3.89 4.81 -0.17 -2.04 118.16 123.58 1nxm n LYS 69 Ca -0.03 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1nxm n LYS 69 Cb 0.58 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 34.00 1nxm n LYS 69 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nxm n ASN 70 N 1.84 0.00 -4.69 3.14 3.02 -0.48 -4.92 115.26 113.17 1nxm n ASN 70 Ca 0.16 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 1nxm n ASN 70 Cb 0.23 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1nxm n ASN 70 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1nxm n VAL 71 N -2.00 0.71 -3.81 2.41 0.31 -0.87 -1.63 118.33 113.46 1nxm n VAL 71 Ca 0.00 -0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 63.90 1nxm n VAL 71 Cb 0.00 -1.61 -0.17 0.00 -0.91 0.00 0.00 33.84 31.15 1nxm n VAL 71 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1nxm s LEU 72 N 0.21 0.86 -0.05 7.52 0.20 -0.53 -0.82 118.68 126.07 1nxm s LEU 72 Ca 0.70 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.32 1nxm s LEU 72 Cb -0.62 -0.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 1nxm s LEU 72 CO 0.46 -0.18 -0.15 -0.13 -0.29 0.00 0.00 176.35 176.06 1nxm s ARG 73 N 1.87 1.67 0.00 1.98 0.52 -0.24 -4.41 118.95 120.34 1nxm s ARG 73 Ca 0.04 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1nxm s ARG 73 Cb -0.13 -1.44 0.00 0.00 0.52 0.00 0.00 34.95 33.90 1nxm s ARG 73 CO -0.06 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1nxm n GLY 74 N 3.29 0.87 3.47 -3.53 0.00 -1.26 -1.10 105.19 106.93 1nxm n GLY 74 Ca -0.19 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1nxm n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nxm s LEU 75 N 0.00 3.68 -0.14 0.99 1.43 -0.95 -4.40 118.68 119.29 1nxm s LEU 75 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1nxm s LEU 75 Cb 0.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1nxm s LEU 75 CO 0.00 -0.07 -0.19 -1.00 0.23 0.00 0.00 176.35 175.32 1nxm s HIS 76 N 1.64 2.72 -0.74 0.29 3.76 -0.56 -1.42 115.29 120.97 1nxm s HIS 76 Ca 0.06 -1.17 -0.12 0.00 -0.15 0.00 0.00 55.06 53.68 1nxm s HIS 76 Cb -0.16 -1.84 0.19 0.00 1.11 0.00 0.00 32.58 31.88 1nxm s HIS 76 CO 0.05 -0.53 0.66 0.00 -0.85 0.00 0.00 174.74 174.08 1nxm s ALA 77 N 0.77 3.92 0.53 -1.40 0.00 0.64 -0.70 121.76 125.51 1nxm s ALA 77 Ca -0.07 -3.18 -0.15 0.00 0.00 0.00 0.00 51.96 48.56 1nxm s ALA 77 Cb -0.16 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1nxm s ALA 77 CO -0.00 -2.20 0.99 -1.21 0.00 0.00 0.00 175.76 173.34 1nxm s GLU 78 N 0.36 3.88 -0.30 0.00 2.02 -1.26 -1.79 118.70 121.62 1nxm s GLU 78 Ca 0.15 0.91 -0.06 0.00 0.02 0.00 0.00 54.97 55.99 1nxm s GLU 78 Cb -0.15 -2.13 -0.15 0.00 0.10 0.00 0.00 34.13 31.79 1nxm s GLU 78 CO -0.06 -0.31 3.30 -0.35 0.02 0.00 0.00 175.26 177.86 1nxm n PRO 79 N -1.77 2.34 -3.63 0.39 -0.04 -1.26 -4.27 135.00 126.76 1nxm n PRO 79 Ca 0.06 -1.55 -0.10 0.00 -0.04 0.00 0.00 63.50 61.88 1nxm n PRO 79 Cb 0.54 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 1nxm n PRO 79 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1nxm s TRP 80 N 0.30 -0.33 0.54 0.54 -2.14 -1.26 -4.93 118.94 111.66 1nxm s TRP 80 Ca 0.65 0.02 -0.13 0.00 2.66 0.00 0.00 56.10 59.29 1nxm s TRP 80 Cb 0.32 0.57 -0.06 0.00 -3.10 0.00 0.00 33.47 31.20 1nxm s TRP 80 CO -0.07 -0.98 0.97 -0.51 -2.66 0.00 0.00 176.95 173.69 1nxm s ASP 81 N -2.83 6.42 0.00 -2.66 1.01 -1.26 -3.77 116.67 113.58 1nxm s ASP 81 Ca 0.06 1.41 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1nxm s ASP 81 Cb -0.03 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 1nxm s ASP 81 CO -0.05 -0.68 -0.01 -0.54 0.21 0.00 0.00 175.17 174.10 1nxm s LYS 82 N -4.56 0.08 -0.24 8.23 1.02 -0.64 -3.33 119.74 120.31 1nxm s LYS 82 Ca 0.56 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.41 1nxm s LYS 82 Cb -0.10 0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1nxm s LYS 82 CO 0.42 -0.01 -0.12 -0.47 -0.92 0.00 0.00 175.35 174.25 1nxm s TYR 83 N -0.33 3.08 -0.12 3.18 5.04 -0.08 -0.39 117.35 127.73 1nxm s TYR 83 Ca -0.03 -1.92 -0.03 0.00 -2.44 0.00 0.00 57.07 52.65 1nxm s TYR 83 Cb -0.02 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 1nxm s TYR 83 CO -0.00 -0.82 0.00 0.42 -1.34 0.00 0.00 175.55 173.81 1nxm s ILE 84 N 1.22 4.30 0.25 3.14 -1.09 0.28 -0.83 121.20 128.48 1nxm s ILE 84 Ca -0.02 -0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1nxm s ILE 84 Cb -0.17 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1nxm s ILE 84 CO -0.07 0.55 0.41 -0.94 -1.23 0.00 0.00 174.94 173.66 1nxm s SER 85 N -0.35 0.09 -0.11 3.58 1.04 -0.41 -1.35 113.70 116.19 1nxm s SER 85 Ca 0.07 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.43 1nxm s SER 85 Cb -0.12 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1nxm s SER 85 CO 0.02 -1.11 -0.21 -0.69 0.98 0.00 0.00 173.24 172.24 1nxm s VAL 86 N -3.90 2.36 -0.70 5.02 1.01 -1.26 -1.09 120.40 121.84 1nxm s VAL 86 Ca 0.27 -0.91 0.22 0.00 0.00 0.00 0.00 61.98 61.55 1nxm s VAL 86 Cb 0.01 -1.93 -0.22 0.00 0.00 0.00 0.00 36.38 34.24 1nxm s VAL 86 CO 0.11 0.55 0.86 0.00 0.00 0.00 0.00 175.10 176.62 1nxm n ALA 87 N 3.54 3.98 -2.94 5.51 0.00 0.01 -4.06 120.51 126.55 1nxm n ALA 87 Ca -0.19 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1nxm n ALA 87 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1nxm n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nxm n ASP 88 N -1.77 1.86 -0.38 0.00 5.75 -1.26 -5.00 116.55 115.76 1nxm n ASP 88 Ca 0.02 -0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.84 1nxm n ASP 88 Cb 0.41 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.68 1nxm n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nxm n GLY 89 N 5.00 -0.06 1.52 6.12 0.00 -1.26 -4.35 105.19 112.16 1nxm n GLY 89 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1nxm n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nxm n GLY 90 N 0.88 -0.74 3.44 -0.02 0.00 -1.26 -4.96 105.19 102.53 1nxm n GLY 90 Ca 0.09 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1nxm n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nxm s LYS 91 N -3.96 0.90 0.13 1.61 -2.85 -1.26 -4.35 119.74 109.96 1nxm s LYS 91 Ca 0.29 0.21 0.06 0.00 -1.00 0.00 0.00 55.97 55.52 1nxm s LYS 91 Cb -0.01 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1nxm s LYS 91 CO 0.20 -0.26 -0.13 0.14 0.10 0.00 0.00 175.35 175.40 1nxm s VAL 92 N -1.03 1.30 -0.64 1.79 -7.23 -0.44 -1.27 120.40 112.89 1nxm s VAL 92 Ca -0.10 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.05 1nxm s VAL 92 Cb -0.02 -1.59 0.06 0.00 0.56 0.00 0.00 36.38 35.39 1nxm s VAL 92 CO 0.07 -0.49 0.96 -0.22 -0.31 0.00 0.00 175.10 175.12 1nxm s LEU 93 N -2.60 4.30 0.25 1.32 2.96 0.13 -0.69 118.68 124.35 1nxm s LEU 93 Ca 0.10 -0.85 -0.29 0.00 -0.22 0.00 0.00 54.13 52.87 1nxm s LEU 93 Cb -0.03 -2.50 -0.09 0.00 0.50 0.00 0.00 46.19 44.06 1nxm s LEU 93 CO 0.03 -1.40 0.96 -0.83 -1.32 0.00 0.00 176.35 173.79 1nxm s GLY 94 N 3.49 3.08 -0.04 7.98 0.00 0.41 -1.86 107.32 120.38 1nxm s GLY 94 Ca 0.24 0.65 -0.02 0.00 0.00 0.00 0.00 44.72 45.59 1nxm s GLY 94 CO 0.12 1.21 0.09 -1.59 0.00 0.00 0.00 173.10 172.93 1nxm s THR 95 N -1.22 -0.04 -0.00 0.90 2.01 -0.58 -1.81 115.64 114.90 1nxm s THR 95 Ca 0.42 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1nxm s THR 95 Cb -0.26 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1nxm s THR 95 CO 0.32 0.05 -0.07 0.26 -0.69 0.00 0.00 174.62 174.49 1nxm s TRP 96 N 0.76 0.66 -0.08 4.92 0.51 -0.30 -1.16 118.94 124.26 1nxm s TRP 96 Ca -0.06 -0.14 -0.00 0.00 -2.12 0.00 0.00 56.10 53.78 1nxm s TRP 96 Cb -0.08 -0.42 0.02 0.00 -0.81 0.00 0.00 33.47 32.18 1nxm s TRP 96 CO -0.03 -0.01 -0.05 0.08 -0.51 0.00 0.00 176.95 176.43 1nxm s VAL 97 N -0.24 0.73 -0.13 4.03 1.01 -0.84 -1.97 120.40 122.99 1nxm s VAL 97 Ca 0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1nxm s VAL 97 Cb -0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1nxm s VAL 97 CO -0.00 0.30 1.33 -0.62 0.00 0.00 0.00 175.10 176.10 1nxm s ASP 98 N 1.47 6.91 -0.11 3.32 -1.08 0.13 -0.52 116.67 126.79 1nxm s ASP 98 Ca -0.01 1.81 0.15 0.00 -0.52 0.00 0.00 52.55 53.98 1nxm s ASP 98 Cb -0.13 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.33 1nxm s ASP 98 CO -0.04 -0.77 1.46 0.18 0.52 0.00 0.00 175.17 176.53 1nxm n LEU 99 N 6.50 4.01 -4.75 -1.34 4.77 -0.61 -0.50 117.00 125.09 1nxm n LEU 99 Ca 0.14 -2.54 -0.40 0.00 -0.03 0.00 0.00 56.01 53.18 1nxm n LEU 99 Cb 0.45 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1nxm n LEU 99 CO 0.57 0.74 0.52 -0.13 -1.33 0.00 0.00 177.39 177.76 1nxm s ARG 100 N -1.99 4.57 0.28 3.23 0.52 -1.21 -0.84 118.95 123.52 1nxm s ARG 100 Ca 0.41 1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 1nxm s ARG 100 Cb 0.28 -3.34 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 1nxm s ARG 100 CO 0.16 0.33 1.48 -1.91 0.02 0.00 0.00 175.30 175.39 1nxm n GLU 101 N 2.52 2.36 0.00 3.54 2.13 0.31 -3.68 120.64 127.81 1nxm n GLU 101 Ca -0.02 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1nxm n GLU 101 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1nxm n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nxm n GLY 102 N 1.97 0.79 0.02 8.31 0.00 -1.26 -4.90 105.19 110.11 1nxm n GLY 102 Ca 0.09 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.18 1nxm n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nxm n GLU 103 N 0.00 0.03 -0.22 1.61 1.02 -1.26 -2.17 120.64 119.65 1nxm n GLU 103 Ca 0.00 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.44 1nxm n GLU 103 Cb 0.00 -1.55 0.20 0.00 -0.02 0.00 0.00 31.44 30.07 1nxm n GLU 103 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1nxm n THR 104 N -1.61 0.83 -1.69 2.62 -2.24 -1.26 -4.96 114.28 105.97 1nxm n THR 104 Ca 0.04 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.47 1nxm n THR 104 Cb 0.22 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1nxm n THR 104 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1nxm n PHE 105 N 1.00 2.59 -0.06 4.78 7.35 -0.92 -1.04 117.46 131.15 1nxm n PHE 105 Ca 0.16 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1nxm n PHE 105 Cb 0.50 -2.68 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1nxm n PHE 105 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nxm n GLY 106 N 4.04 1.56 3.75 7.13 0.00 0.34 -4.99 105.19 117.02 1nxm n GLY 106 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1nxm n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nxm s ASN 107 N -3.10 5.03 0.22 1.61 -0.87 -0.21 -4.65 114.94 112.98 1nxm s ASN 107 Ca 0.00 2.37 0.04 0.00 -1.57 0.00 0.00 52.86 53.70 1nxm s ASN 107 Cb 0.00 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 1nxm s ASN 107 CO 0.00 -1.70 -0.03 0.42 -2.57 0.00 0.00 177.10 173.22 1nxm s THR 108 N -1.68 1.14 -0.05 1.60 -4.23 -1.26 -0.69 115.64 110.47 1nxm s THR 108 Ca 0.77 -2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 59.06 1nxm s THR 108 Cb -0.30 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1nxm s THR 108 CO 0.35 -0.40 0.37 -0.47 -0.54 0.00 0.00 174.62 173.93 1nxm s TYR 109 N -3.35 -0.29 0.01 3.99 5.04 -0.83 -4.85 117.35 117.06 1nxm s TYR 109 Ca 0.26 0.55 -0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1nxm s TYR 109 Cb 0.05 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 1nxm s TYR 109 CO 0.07 -0.38 -0.01 -0.65 -1.34 0.00 0.00 175.55 173.25 1nxm s GLN 110 N -0.97 0.17 0.08 4.97 -0.21 -1.26 -1.15 119.66 121.30 1nxm s GLN 110 Ca -0.10 -0.31 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 1nxm s GLN 110 Cb -0.04 0.06 0.07 0.00 1.00 0.00 0.00 33.01 34.10 1nxm s GLN 110 CO 0.04 -0.03 0.63 -0.08 -2.12 0.00 0.00 175.29 173.74 1nxm s THR 111 N -0.77 0.00 -0.11 -0.19 -1.32 -0.75 -5.00 115.64 107.49 1nxm s THR 111 Ca -0.08 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.10 1nxm s THR 111 Cb -0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1nxm s THR 111 CO -0.00 0.00 1.06 -0.69 -2.21 0.00 0.00 174.62 172.78 1nxm s VAL 112 N -2.85 4.64 -0.23 5.08 1.01 -1.26 -0.44 120.40 126.34 1nxm s VAL 112 Ca -0.03 1.93 -0.10 0.00 0.00 0.00 0.00 61.98 63.78 1nxm s VAL 112 Cb -0.01 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1nxm s VAL 112 CO -0.05 -0.02 0.14 -0.63 0.00 0.00 0.00 175.10 174.53 1nxm s ILE 113 N 2.25 5.18 0.06 2.22 1.01 0.13 -4.92 121.20 127.14 1nxm s ILE 113 Ca 0.50 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.27 1nxm s ILE 113 Cb -0.19 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 1nxm s ILE 113 CO 0.17 0.37 0.04 -0.90 0.00 0.00 0.00 174.94 174.62 1nxm n ASP 114 N 4.18 0.20 0.31 3.58 5.68 -1.26 -1.32 116.55 127.92 1nxm n ASP 114 Ca -0.15 -1.40 0.21 0.00 -0.50 0.00 0.00 54.79 52.94 1nxm n ASP 114 Cb 0.52 0.27 1.05 0.00 -1.14 0.00 0.00 41.12 41.82 1nxm n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nxm h ALA 115 N 1.17 1.00 -0.35 2.12 0.00 -1.76 -2.09 119.26 119.36 1nxm h ALA 115 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nxm h ALA 115 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nxm h ALA 115 CO 0.07 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1nxm n SER 116 N -2.99 2.61 -3.78 0.00 3.41 -1.26 -4.82 113.62 106.78 1nxm n SER 116 Ca -0.02 -1.90 -0.14 0.00 -0.26 0.00 0.00 58.87 56.56 1nxm n SER 116 Cb 0.12 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 1nxm n SER 116 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nxm s LYS 117 N -1.55 0.03 0.30 4.33 2.20 -0.79 -1.21 119.74 123.06 1nxm s LYS 117 Ca 0.35 0.22 0.04 0.00 -0.36 0.00 0.00 55.97 56.23 1nxm s LYS 117 Cb 0.19 -0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.29 1nxm s LYS 117 CO 0.27 -0.13 0.03 -1.54 -0.36 0.00 0.00 175.35 173.62 1nxm s SER 118 N 0.85 2.37 -0.03 1.43 1.04 -0.59 -4.15 113.70 114.63 1nxm s SER 118 Ca -0.07 -1.32 -0.00 0.00 0.48 0.00 0.00 55.95 55.04 1nxm s SER 118 Cb -0.09 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1nxm s SER 118 CO -0.03 -0.54 0.05 -0.63 0.98 0.00 0.00 173.24 173.06 1nxm s ILE 119 N -3.26 -0.05 -0.23 -1.02 -1.09 -0.45 -0.99 121.20 114.11 1nxm s ILE 119 Ca 0.34 0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.80 1nxm s ILE 119 Cb 0.07 -0.10 -0.04 0.00 -1.58 0.00 0.00 42.46 40.82 1nxm s ILE 119 CO 0.14 0.08 0.42 0.12 -1.23 0.00 0.00 174.94 174.47 1nxm s PHE 120 N 1.00 3.32 -0.28 3.97 5.36 0.17 -0.55 117.98 130.98 1nxm s PHE 120 Ca -0.08 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 1nxm s PHE 120 Cb -0.12 -2.58 0.05 0.00 -0.34 0.00 0.00 43.02 40.04 1nxm s PHE 120 CO -0.03 -0.12 -0.05 0.08 -1.46 0.00 0.00 175.22 173.64 1nxm s VAL 121 N 1.69 2.65 0.57 3.12 1.01 0.48 -2.21 120.40 127.71 1nxm s VAL 121 Ca 0.19 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 1nxm s VAL 121 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1nxm s VAL 121 CO 0.09 -0.02 1.19 -2.84 0.00 0.00 0.00 175.10 173.52 1nxm s PRO 122 N 1.21 3.10 0.19 2.72 0.02 -1.26 -1.62 135.00 139.35 1nxm s PRO 122 Ca -0.06 1.78 -0.33 0.00 0.02 0.00 0.00 61.00 62.42 1nxm s PRO 122 Cb -0.19 -1.97 -0.15 0.00 0.02 0.00 0.00 34.50 32.21 1nxm s PRO 122 CO -0.03 -1.09 1.35 -2.13 -0.33 0.00 0.00 177.00 174.76 1nxm n ARG 123 N -1.46 1.66 0.00 5.54 0.63 -1.25 -2.04 116.66 119.75 1nxm n ARG 123 Ca 0.13 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1nxm n ARG 123 Cb 0.50 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.19 1nxm n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nxm n GLY 124 N 2.35 1.70 3.62 5.14 0.00 -1.26 -5.01 105.19 111.73 1nxm n GLY 124 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1nxm n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nxm s VAL 125 N -2.35 5.31 0.28 1.61 1.01 -0.86 -1.57 120.40 123.82 1nxm s VAL 125 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1nxm s VAL 125 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1nxm s VAL 125 CO 0.00 0.27 1.16 0.00 0.00 0.00 0.00 175.10 176.54 1nxm s ALA 126 N 1.51 3.44 0.03 5.51 0.00 0.32 -4.49 121.76 128.09 1nxm s ALA 126 Ca 0.09 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.13 1nxm s ALA 126 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1nxm s ALA 126 CO 0.08 -0.31 -0.24 1.21 0.00 0.00 0.00 175.76 176.51 1nxm s ASN 127 N -0.65 3.35 0.28 0.00 2.47 0.12 -1.98 114.94 118.53 1nxm s ASN 127 Ca 0.47 -0.51 -0.20 0.00 0.42 0.00 0.00 52.86 53.03 1nxm s ASN 127 Cb -0.34 -0.40 0.05 0.00 -1.45 0.00 0.00 41.25 39.10 1nxm s ASN 127 CO 0.43 0.27 0.83 -0.83 -3.72 0.00 0.00 177.10 174.08 1nxm s GLY 128 N -1.16 0.08 0.03 1.21 0.00 -0.31 -1.50 107.32 105.66 1nxm s GLY 128 Ca 0.12 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.17 1nxm s GLY 128 CO 0.02 0.17 0.69 -0.11 0.00 0.00 0.00 173.10 173.87 1nxm s PHE 129 N -3.01 -0.56 -0.08 1.90 -0.12 -0.26 -1.53 117.98 114.32 1nxm s PHE 129 Ca 0.14 0.70 0.05 0.00 -0.05 0.00 0.00 56.93 57.77 1nxm s PHE 129 Cb -0.04 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1nxm s PHE 129 CO 0.08 -0.68 -0.23 -1.14 -0.05 0.00 0.00 175.22 173.20 1nxm s GLN 130 N -2.34 2.63 -0.08 1.99 0.74 -0.78 -1.08 119.66 120.74 1nxm s GLN 130 Ca -0.04 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.24 1nxm s GLN 130 Cb -0.01 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 1nxm s GLN 130 CO -0.01 0.25 1.20 0.08 -0.55 0.00 0.00 175.29 176.26 1nxm s VAL 131 N 0.14 4.30 -0.18 1.34 1.01 0.00 -0.70 120.40 126.32 1nxm s VAL 131 Ca -0.11 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1nxm s VAL 131 Cb -0.16 -4.04 -0.22 0.00 0.00 0.00 0.00 36.38 31.96 1nxm s VAL 131 CO 0.06 -0.03 0.11 0.18 0.00 0.00 0.00 175.10 175.42 1nxm n LEU 132 N 5.48 1.58 -4.93 3.92 4.77 -0.39 -1.38 117.00 126.06 1nxm n LEU 132 Ca 0.11 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 1nxm n LEU 132 Cb 0.46 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1nxm n LEU 132 CO 0.55 0.69 0.76 -0.94 -1.33 0.00 0.00 177.39 177.12 1nxm s SER 133 N -6.19 4.05 0.28 -1.43 1.04 -1.14 -4.89 113.70 105.42 1nxm s SER 133 Ca -0.20 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 1nxm s SER 133 Cb 0.07 -0.75 0.38 0.00 0.10 0.00 0.00 66.02 65.82 1nxm s SER 133 CO 0.74 -2.13 1.95 0.44 0.98 0.00 0.00 173.24 175.21 1nxm h ASP 134 N -1.11 1.03 -5.24 7.02 3.32 -1.93 -3.17 116.42 116.34 1nxm h ASP 134 Ca -0.44 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 1nxm h ASP 134 Cb 1.29 -0.25 -0.12 0.00 0.22 0.00 0.00 39.33 40.46 1nxm h ASP 134 CO 0.52 0.74 -0.27 -0.36 -1.72 0.00 0.00 179.24 178.15 1nxm s PHE 135 N -6.01 0.32 -0.09 4.55 0.40 -1.26 -1.00 117.98 114.89 1nxm s PHE 135 Ca -0.12 -0.68 -0.15 0.00 -0.60 0.00 0.00 56.93 55.37 1nxm s PHE 135 Cb 0.18 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.75 1nxm s PHE 135 CO 0.80 -0.75 0.38 0.54 0.70 0.00 0.00 175.22 176.90 1nxm s VAL 136 N -3.95 0.02 -0.42 -0.44 0.11 -0.16 -4.26 120.40 111.30 1nxm s VAL 136 Ca 0.16 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 1nxm s VAL 136 Cb 0.03 -0.60 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1nxm s VAL 136 CO -0.01 -0.10 0.28 0.00 -3.33 0.00 0.00 175.10 171.95 1nxm s ALA 137 N -0.46 3.38 -0.34 1.54 0.00 -1.26 -1.69 121.76 122.93 1nxm s ALA 137 Ca -0.06 -1.94 -0.10 0.00 0.00 0.00 0.00 51.96 49.85 1nxm s ALA 137 Cb -0.04 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1nxm s ALA 137 CO 0.03 -1.56 0.18 -0.47 0.00 0.00 0.00 175.76 173.94 1nxm s TYR 138 N 1.56 3.21 -0.16 0.00 5.04 0.23 -0.81 117.35 126.42 1nxm s TYR 138 Ca 0.03 -0.71 0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1nxm s TYR 138 Cb -0.22 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.71 1nxm s TYR 138 CO 0.06 -0.53 -0.18 0.45 -1.34 0.00 0.00 175.55 174.01 1nxm s SER 139 N 1.60 2.90 0.08 4.32 0.15 -0.25 -0.73 113.70 121.77 1nxm s SER 139 Ca 0.04 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1nxm s SER 139 Cb -0.18 -1.33 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 1nxm s SER 139 CO 0.07 -0.01 -0.09 -0.72 1.20 0.00 0.00 173.24 173.69 1nxm s TYR 140 N 1.28 0.91 -0.06 3.44 -0.85 -0.26 -1.29 117.35 120.52 1nxm s TYR 140 Ca 0.02 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1nxm s TYR 140 Cb -0.13 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.66 1nxm s TYR 140 CO -0.10 -0.06 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.31 1nxm s LEU 141 N -2.30 3.25 0.17 -3.49 1.43 -0.01 -1.21 118.68 116.51 1nxm s LEU 141 Ca 0.02 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1nxm s LEU 141 Cb -0.03 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1nxm s LEU 141 CO -0.01 0.35 -0.08 0.68 0.23 0.00 0.00 176.35 177.52 1nxm s VAL 142 N -0.86 1.13 -0.21 -1.59 -7.23 0.07 -0.90 120.40 110.80 1nxm s VAL 142 Ca 0.14 -2.06 0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1nxm s VAL 142 Cb -0.11 -1.96 0.42 0.00 0.56 0.00 0.00 36.38 35.29 1nxm s VAL 142 CO 0.03 -0.65 1.25 -0.46 -0.31 0.00 0.00 175.10 174.96 1nxm n ASN 143 N -0.25 1.88 -3.77 4.85 6.94 -1.21 -1.82 115.26 121.88 1nxm n ASN 143 Ca -0.09 -3.81 -0.08 0.00 -0.02 0.00 0.00 54.58 50.58 1nxm n ASN 143 Cb 0.61 -0.53 -0.02 0.00 -2.36 0.00 0.00 39.78 37.48 1nxm n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nxm s ASP 144 N -3.11 -0.31 0.23 0.53 -1.08 -1.26 -4.64 116.67 107.03 1nxm s ASP 144 Ca 0.38 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 52.02 1nxm s ASP 144 Cb 0.37 0.68 -0.04 0.00 -1.46 0.00 0.00 42.92 42.46 1nxm s ASP 144 CO -0.05 -1.23 -0.12 -0.31 0.52 0.00 0.00 175.17 173.97 1nxm s TYR 145 N -3.89 2.51 0.40 -5.34 1.51 -1.26 -4.84 117.35 106.44 1nxm s TYR 145 Ca 0.10 -0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 55.64 1nxm s TYR 145 Cb -0.04 -1.17 -0.11 0.00 -0.11 0.00 0.00 41.96 40.53 1nxm s TYR 145 CO 0.02 0.59 1.06 1.87 -1.11 0.00 0.00 175.55 177.98 1nxm n TRP 146 N -0.30 1.36 -3.62 2.71 -0.00 -1.26 -5.00 117.44 111.32 1nxm n TRP 146 Ca -0.09 0.56 -0.16 0.00 -0.00 0.00 0.00 57.50 57.82 1nxm n TRP 146 Cb 0.57 -2.26 -0.07 0.00 -0.00 0.00 0.00 31.31 29.55 1nxm n TRP 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1nxm s ALA 147 N -1.24 -1.47 0.31 5.87 0.00 -1.26 -5.04 121.76 118.95 1nxm s ALA 147 Ca 0.62 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.83 1nxm s ALA 147 Cb -0.56 -0.31 0.57 0.00 0.00 0.00 0.00 23.12 22.82 1nxm s ALA 147 CO 0.57 -0.32 1.93 1.25 0.00 0.00 0.00 175.76 179.19 1nxm h LEU 148 N 3.92 0.85 -2.02 0.00 5.85 -2.02 -1.45 115.31 120.43 1nxm h LEU 148 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1nxm h LEU 148 Cb 1.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1nxm h LEU 148 CO 0.30 0.55 0.00 1.05 -0.34 0.00 0.00 178.44 180.01 1nxm h GLU 149 N 0.97 0.00 0.00 1.25 4.11 -2.00 -1.91 114.58 117.00 1nxm h GLU 149 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1nxm h GLU 149 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nxm h GLU 149 CO -0.13 0.00 -0.33 1.28 0.07 0.00 0.00 179.01 179.90 1nxm n LEU 150 N -3.06 0.40 -0.16 3.06 4.77 -0.55 -4.37 117.00 117.10 1nxm n LEU 150 Ca -0.01 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1nxm n LEU 150 Cb 0.21 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1nxm n LEU 150 CO 0.24 0.03 0.98 0.50 -1.33 0.00 0.00 177.39 177.81 1nxm h LYS 151 N 0.00 0.38 0.00 3.23 3.64 -1.35 -0.06 116.57 122.41 1nxm h LYS 151 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nxm h LYS 151 Cb 0.56 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1nxm h LYS 151 CO 0.00 0.25 0.00 -2.30 -2.27 0.00 0.00 179.45 175.13 1nxm n PRO 152 N -4.98 0.09 0.00 1.90 -0.02 -1.26 -2.77 135.00 127.96 1nxm n PRO 152 Ca 0.05 0.25 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 1nxm n PRO 152 Cb 0.18 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 1nxm n PRO 152 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nxm n LYS 153 N -1.35 1.53 -2.18 -0.52 4.76 -0.04 -4.91 118.16 115.46 1nxm n LYS 153 Ca 0.04 -1.26 -0.34 0.00 -2.87 0.00 0.00 58.31 53.88 1nxm n LYS 153 Cb 0.08 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1nxm n LYS 153 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1nxm s TYR 154 N -2.34 2.87 0.04 2.13 1.51 -1.11 -4.50 117.35 115.95 1nxm s TYR 154 Ca 0.22 1.54 0.01 0.00 -1.01 0.00 0.00 57.07 57.83 1nxm s TYR 154 Cb 0.19 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 1nxm s TYR 154 CO 0.49 -1.22 -0.06 0.00 -1.11 0.00 0.00 175.55 173.65 1nxm s ALA 155 N -2.16 0.47 0.02 3.71 0.00 -0.74 -5.02 121.76 118.04 1nxm s ALA 155 Ca 0.67 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1nxm s ALA 155 Cb -0.18 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1nxm s ALA 155 CO 0.31 -0.12 -0.07 -0.06 0.00 0.00 0.00 175.76 175.82 1nxm s PHE 156 N -1.91 0.61 0.02 0.00 0.40 -1.26 -0.26 117.98 115.57 1nxm s PHE 156 Ca -0.08 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1nxm s PHE 156 Cb -0.06 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.08 1nxm s PHE 156 CO -0.02 -0.05 -0.04 0.54 0.70 0.00 0.00 175.22 176.35 1nxm s VAL 157 N -0.82 0.29 0.05 -0.44 0.11 -0.51 -4.45 120.40 114.63 1nxm s VAL 157 Ca -0.04 -0.61 -0.31 0.00 -2.93 0.00 0.00 61.98 58.09 1nxm s VAL 157 Cb -0.07 -0.33 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 1nxm s VAL 157 CO 0.00 -0.22 1.46 0.21 -3.33 0.00 0.00 175.10 173.22 1nxm s ASN 158 N -0.88 6.78 0.55 3.54 3.84 0.12 -2.23 114.94 126.66 1nxm s ASN 158 Ca -0.07 2.27 0.25 0.00 0.21 0.00 0.00 52.86 55.52 1nxm s ASN 158 Cb -0.06 -2.57 1.46 0.00 -0.55 0.00 0.00 41.25 39.53 1nxm s ASN 158 CO -0.00 -0.74 2.06 0.10 -2.79 0.00 0.00 177.10 175.73 1nxm h TYR 159 N 7.60 0.00 -0.65 0.43 -0.00 -1.79 -2.35 116.97 120.21 1nxm h TYR 159 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 1nxm h TYR 159 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 1nxm h TYR 159 CO 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.89 1nxm n ALA 160 N -2.51 2.37 -1.95 0.10 0.00 -1.26 -4.91 120.51 112.36 1nxm n ALA 160 Ca 0.04 -1.29 -0.43 0.00 0.00 0.00 0.00 53.44 51.76 1nxm n ALA 160 Cb 0.40 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1nxm n ALA 160 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nxm s ASP 161 N -1.00 6.10 0.10 0.00 -1.08 -0.89 -4.85 116.67 115.05 1nxm s ASP 161 Ca 0.44 1.70 0.20 0.00 -0.52 0.00 0.00 52.55 54.37 1nxm s ASP 161 Cb 0.23 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.98 1nxm s ASP 161 CO 0.29 -1.48 1.61 -0.81 0.52 0.00 0.00 175.17 175.31 1nxm n PRO 162 N 8.04 0.08 0.06 4.34 -0.04 -1.26 -2.17 135.00 144.06 1nxm n PRO 162 Ca 0.22 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1nxm n PRO 162 Cb 0.45 -1.64 0.49 0.00 -0.04 0.00 0.00 33.50 32.75 1nxm n PRO 162 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nxm n SER 163 N -1.80 0.48 -4.77 3.54 3.41 -1.26 -4.84 113.62 108.39 1nxm n SER 163 Ca 0.03 0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 58.80 1nxm n SER 163 Cb 0.22 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 1nxm n SER 163 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nxm s LEU 164 N -3.92 4.37 -1.53 1.04 1.43 -0.92 -4.91 118.68 114.25 1nxm s LEU 164 Ca 0.11 2.56 -0.09 0.00 -1.03 0.00 0.00 54.13 55.68 1nxm s LEU 164 Cb 0.15 -3.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1nxm s LEU 164 CO 0.55 -0.55 2.72 -0.67 0.23 0.00 0.00 176.35 178.63 1nxm n ASP 165 N 0.62 8.00 -4.01 2.29 2.03 -1.26 -4.82 116.55 119.40 1nxm n ASP 165 Ca 0.01 -2.75 -0.08 0.00 0.52 0.00 0.00 54.79 52.50 1nxm n ASP 165 Cb 0.43 -1.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1nxm n ASP 165 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1nxm s ILE 166 N 1.44 0.19 0.01 5.18 -4.36 -1.26 -4.79 121.20 117.61 1nxm s ILE 166 Ca 0.63 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.45 1nxm s ILE 166 Cb 0.17 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 1nxm s ILE 166 CO -0.07 -0.85 -0.04 -0.54 0.24 0.00 0.00 174.94 173.69 1nxm s LYS 167 N -3.90 0.29 0.26 0.37 -0.14 -1.26 -5.06 119.74 110.29 1nxm s LYS 167 Ca 0.07 -0.40 0.03 0.00 -1.36 0.00 0.00 55.97 54.31 1nxm s LYS 167 Cb 0.07 -0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 36.09 1nxm s LYS 167 CO -0.10 0.01 0.42 -1.58 -0.76 0.00 0.00 175.35 173.34 1nxm s TRP 168 N -0.81 3.47 0.09 3.18 0.52 -1.26 -5.03 118.94 119.11 1nxm s TRP 168 Ca -0.07 0.15 -0.20 0.00 0.02 0.00 0.00 56.10 56.00 1nxm s TRP 168 Cb -0.06 -1.71 -0.08 0.00 -1.15 0.00 0.00 33.47 30.47 1nxm s TRP 168 CO -0.00 0.34 1.59 1.49 0.02 0.00 0.00 176.95 180.39 1nxm h GLU 169 N 1.22 0.34 -1.87 4.98 4.57 -1.97 -3.40 114.58 118.45 1nxm h GLU 169 Ca -0.51 -0.08 -0.40 0.00 -1.18 0.00 0.00 59.36 57.20 1nxm h GLU 169 Cb 1.22 -0.05 -0.30 0.00 -0.16 0.00 0.00 28.75 29.46 1nxm h GLU 169 CO 0.63 0.44 -0.75 1.21 -1.18 0.00 0.00 179.01 179.36 1nxm s ASN 170 N -5.71 0.64 0.17 1.04 3.84 -1.26 -4.98 114.94 108.69 1nxm s ASN 170 Ca -0.14 -2.16 -0.09 0.00 0.21 0.00 0.00 52.86 50.68 1nxm s ASN 170 Cb 0.07 0.52 0.05 0.00 -0.55 0.00 0.00 41.25 41.34 1nxm s ASN 170 CO 0.72 -0.18 1.58 0.25 -2.79 0.00 0.00 177.10 176.69 1nxm h LEU 171 N 6.05 0.99 -1.41 3.21 5.85 -1.99 -2.65 115.31 125.37 1nxm h LEU 171 Ca 0.13 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1nxm h LEU 171 Cb 1.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1nxm h LEU 171 CO 0.21 1.14 0.41 -0.33 -0.34 0.00 0.00 178.44 179.53 1nxm h GLU 172 N 0.86 0.78 -0.38 1.25 3.07 -1.97 -2.72 114.58 115.46 1nxm h GLU 172 Ca 0.12 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1nxm h GLU 172 Cb 0.74 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1nxm h GLU 172 CO 0.06 0.52 0.00 0.39 -1.40 0.00 0.00 179.01 178.57 1nxm n GLU 173 N -4.45 2.99 -1.79 2.33 1.02 -1.22 -5.03 120.64 114.50 1nxm n GLU 173 Ca 0.07 -2.40 -0.41 0.00 -0.02 0.00 0.00 57.16 54.40 1nxm n GLU 173 Cb 0.07 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1nxm n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nxm s ALA 174 N -1.60 3.50 -0.36 0.62 0.00 -1.00 -4.83 121.76 118.09 1nxm s ALA 174 Ca 0.33 1.57 -0.07 0.00 0.00 0.00 0.00 51.96 53.78 1nxm s ALA 174 Cb 0.21 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1nxm s ALA 174 CO 0.16 -1.11 0.15 -2.00 0.00 0.00 0.00 175.76 172.96 1nxm s GLU 175 N -2.19 2.61 -0.01 0.00 2.12 -0.65 -4.96 118.70 115.64 1nxm s GLU 175 Ca 0.55 -1.25 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1nxm s GLU 175 Cb -0.46 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1nxm s GLU 175 CO 0.62 -0.75 -0.16 0.08 -0.54 0.00 0.00 175.26 174.52 1nxm s VAL 176 N 1.42 1.24 0.75 3.70 1.01 -1.26 -1.46 120.40 125.79 1nxm s VAL 176 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1nxm s VAL 176 Cb -0.20 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.18 1nxm s VAL 176 CO 0.03 0.33 1.11 -0.94 0.00 0.00 0.00 175.10 175.63 1nxm s SER 177 N -0.43 4.50 0.27 3.32 1.04 -1.26 -4.86 113.70 116.28 1nxm s SER 177 Ca 0.06 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.43 1nxm s SER 177 Cb -0.06 -2.54 0.37 0.00 0.10 0.00 0.00 66.02 63.88 1nxm s SER 177 CO -0.00 -2.04 1.92 -0.33 0.98 0.00 0.00 173.24 173.77 1nxm h GLU 178 N -0.74 1.19 -0.43 4.02 4.39 -2.00 -1.55 114.58 119.46 1nxm h GLU 178 Ca -0.45 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1nxm h GLU 178 Cb 1.25 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1nxm h GLU 178 CO 0.51 0.79 0.25 0.00 -1.16 0.00 0.00 179.01 179.40 1nxm h ALA 179 N 1.43 0.56 0.00 3.43 0.00 -1.98 -2.73 119.26 119.96 1nxm h ALA 179 Ca 0.37 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1nxm h ALA 179 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nxm h ALA 179 CO -0.11 0.07 -0.34 -0.44 0.00 0.00 0.00 179.25 178.43 1nxm h ASP 180 N 0.57 0.00 0.35 0.00 3.32 -1.75 -1.82 116.42 117.09 1nxm h ASP 180 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1nxm h ASP 180 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1nxm h ASP 180 CO -0.03 0.34 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.41 1nxm h GLU 181 N 0.00 0.00 -0.18 3.56 4.39 -0.98 -3.29 114.58 118.07 1nxm h GLU 181 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nxm h GLU 181 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1nxm h GLU 181 CO 0.04 0.09 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1nxm n ASN 182 N -3.59 2.41 -4.73 1.42 3.02 -0.70 -5.02 115.26 108.07 1nxm n ASN 182 Ca -0.02 -1.87 -0.34 0.00 -0.03 0.00 0.00 54.58 52.32 1nxm n ASN 182 Cb 0.22 -0.12 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1nxm n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1nxm s HIS 183 N -0.93 2.18 0.61 3.10 3.76 -1.10 -4.95 115.29 117.96 1nxm s HIS 183 Ca 0.14 1.59 -0.18 0.00 -0.15 0.00 0.00 55.06 56.46 1nxm s HIS 183 Cb 0.07 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 1nxm s HIS 183 CO 0.10 -2.40 1.16 -1.25 -0.85 0.00 0.00 174.74 171.51 1nxm s PRO 184 N -3.92 2.96 0.87 8.40 0.04 -1.26 -4.13 135.00 137.96 1nxm s PRO 184 Ca 0.73 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1nxm s PRO 184 Cb -0.27 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.44 1nxm s PRO 184 CO 0.44 -1.18 1.10 -0.06 0.04 0.00 0.00 177.00 177.34 1nxm s PHE 185 N -1.85 2.24 0.32 0.56 0.40 -1.26 -0.70 117.98 117.70 1nxm s PHE 185 Ca 0.73 1.43 0.04 0.00 -0.60 0.00 0.00 56.93 58.54 1nxm s PHE 185 Cb -0.26 -3.14 0.66 0.00 0.51 0.00 0.00 43.02 40.78 1nxm s PHE 185 CO 0.34 -2.34 1.89 1.25 0.70 0.00 0.00 175.22 177.06 1nxm h LEU 186 N -1.52 0.80 -2.84 -0.37 5.85 -1.93 -0.67 115.31 114.63 1nxm h LEU 186 Ca -0.47 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1nxm h LEU 186 Cb 1.27 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1nxm h LEU 186 CO 0.51 0.46 -0.00 0.07 -0.34 0.00 0.00 178.44 179.14 1nxm h LYS 187 N 0.88 0.00 -0.38 1.25 2.10 -2.02 -1.61 116.57 116.79 1nxm h LYS 187 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1nxm h LYS 187 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1nxm h LYS 187 CO -0.19 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.01 1nxm n ASP 188 N -3.28 3.07 -4.73 7.07 8.00 -0.26 -4.96 116.55 121.46 1nxm n ASP 188 Ca -0.03 -1.92 -0.40 0.00 0.71 0.00 0.00 54.79 53.15 1nxm n ASP 188 Cb 0.08 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1nxm n ASP 188 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nxm s VAL 189 N -1.07 4.83 -0.35 2.53 1.01 -0.61 -4.93 120.40 121.81 1nxm s VAL 189 Ca 0.29 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.68 1nxm s VAL 189 Cb 0.16 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1nxm s VAL 189 CO 0.22 0.30 0.89 -0.75 0.00 0.00 0.00 175.10 175.76 1nxm s LYS 190 N 0.32 3.86 0.39 2.72 2.47 -1.26 -5.02 119.74 123.22 1nxm s LYS 190 Ca 0.40 0.56 -0.27 0.00 -1.56 0.00 0.00 55.97 55.11 1nxm s LYS 190 Cb -0.20 -3.79 -0.11 0.00 -1.46 0.00 0.00 37.83 32.28 1nxm s LYS 190 CO 0.23 -0.89 1.34 -2.30 0.16 0.00 0.00 175.35 173.89 1nxm n PRO 191 N 6.63 2.17 -2.53 4.03 -0.02 -1.26 -4.90 135.00 139.11 1nxm n PRO 191 Ca 0.06 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 1nxm n PRO 191 Cb 0.48 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1nxm n PRO 191 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nxm s LEU 192 N -1.70 4.16 0.64 2.45 1.43 -0.02 -4.58 118.68 121.05 1nxm s LEU 192 Ca 0.58 1.57 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 1nxm s LEU 192 Cb -0.51 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.20 1nxm s LEU 192 CO 0.60 -0.70 0.94 -0.13 0.23 0.00 0.00 176.35 177.30 1nxm s ARG 193 N 3.21 2.61 0.38 1.70 0.52 -1.26 -0.53 118.95 125.57 1nxm s ARG 193 Ca 0.50 -0.14 0.09 0.00 -0.52 0.00 0.00 55.73 55.66 1nxm s ARG 193 Cb -0.19 -2.24 0.83 0.00 0.52 0.00 0.00 34.95 33.87 1nxm s ARG 193 CO 0.12 -0.92 1.93 0.87 0.02 0.00 0.00 175.30 177.32 1nxm h LYS 194 N -0.34 0.64 0.00 3.54 1.79 -1.95 0.16 116.57 120.41 1nxm h LYS 194 Ca -0.45 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1nxm h LYS 194 Cb 1.28 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1nxm h LYS 194 CO 0.60 0.42 0.00 1.05 -1.08 0.00 0.00 179.45 180.44 1nxm h GLU 195 N 0.66 0.00 -0.01 3.15 4.11 -2.02 -2.64 114.58 117.83 1nxm h GLU 195 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1nxm h GLU 195 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1nxm h GLU 195 CO -0.13 0.00 -0.17 -0.25 0.07 0.00 0.00 179.01 178.53 1nxm n ASP 196 N -2.98 1.46 -0.50 3.06 8.00 0.56 -5.15 116.55 121.01 1nxm n ASP 196 Ca -0.00 -1.26 0.06 0.00 0.71 0.00 0.00 54.79 54.30 1nxm n ASP 196 Cb 0.23 0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1nxm n ASP 196 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99