#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxm h PHE 5 N 0.00 0.62 -3.10 3.10 3.57 -1.98 -3.45 116.94 115.70 1nxm h PHE 5 Ca 0.00 -0.45 -0.59 0.00 3.53 0.00 0.00 57.97 60.46 1nxm h PHE 5 Cb 0.00 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1nxm h PHE 5 CO 0.00 1.47 -0.32 -0.06 -2.23 0.00 0.00 178.31 177.16 1nxm s PHE 6 N -2.49 3.51 -0.31 0.41 0.40 -1.26 -4.44 117.98 113.79 1nxm s PHE 6 Ca -0.15 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1nxm s PHE 6 Cb 0.03 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1nxm s PHE 6 CO 0.84 0.48 0.00 0.41 0.70 0.00 0.00 175.22 177.65 1nxm n GLY 7 N 0.38 0.61 3.79 4.36 0.00 -0.29 -4.90 105.19 109.14 1nxm n GLY 7 Ca -0.05 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.74 3.22 0.26 1.61 1.02 -1.26 -4.95 119.74 117.89 1nxm s LYS 8 Ca 0.00 1.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 1nxm s LYS 8 Cb 0.00 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1nxm s LYS 8 CO 0.00 -0.90 1.03 0.99 -0.92 0.00 0.00 175.35 175.55 1nxm s THR 9 N -2.34 3.74 0.02 2.17 2.01 -1.26 -3.68 115.64 116.30 1nxm s THR 9 Ca 0.65 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 64.10 1nxm s THR 9 Cb -0.18 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 1nxm s THR 9 CO 0.36 0.41 1.75 -0.22 -0.69 0.00 0.00 174.62 176.24 1nxm s LEU 10 N -1.31 4.37 0.07 4.42 2.96 -1.26 -4.63 118.68 123.31 1nxm s LEU 10 Ca 0.43 2.47 -0.18 0.00 -0.22 0.00 0.00 54.13 56.63 1nxm s LEU 10 Cb -0.29 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.89 1nxm s LEU 10 CO 0.37 -0.96 0.42 0.00 -1.32 0.00 0.00 176.35 174.87 1nxm s ALA 11 N 3.65 -1.03 -0.02 5.97 0.00 -1.06 -4.98 121.76 124.29 1nxm s ALA 11 Ca 0.78 0.24 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1nxm s ALA 11 Cb -0.39 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1nxm s ALA 11 CO 0.34 -0.52 -0.17 0.00 0.00 0.00 0.00 175.76 175.41 1nxm s ALA 12 N -2.90 1.46 -0.08 0.00 0.00 -1.26 -1.23 121.76 117.75 1nxm s ALA 12 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1nxm s ALA 12 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1nxm s ALA 12 CO -0.05 0.33 -0.15 1.03 0.00 0.00 0.00 175.76 176.92 1nxm s ARG 13 N -0.27 2.03 0.60 0.00 0.52 0.67 -4.97 118.95 117.53 1nxm s ARG 13 Ca 0.04 -0.52 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 1nxm s ARG 13 Cb -0.08 -1.65 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 1nxm s ARG 13 CO 0.00 0.03 1.21 -1.25 0.02 0.00 0.00 175.30 175.31 1nxm s PRO 14 N 0.69 2.92 -0.54 3.54 0.04 -1.26 -0.77 135.00 139.62 1nxm s PRO 14 Ca -0.13 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1nxm s PRO 14 Cb -0.16 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1nxm s PRO 14 CO 0.03 -1.25 0.52 0.08 0.04 0.00 0.00 177.00 176.43 1nxm s VAL 15 N -1.60 5.16 0.44 -0.36 1.01 -0.70 -4.84 120.40 119.51 1nxm s VAL 15 Ca 0.78 -1.41 0.14 0.00 0.00 0.00 0.00 61.98 61.49 1nxm s VAL 15 Cb -0.31 -4.35 0.18 0.00 0.00 0.00 0.00 36.38 31.91 1nxm s VAL 15 CO 0.34 -0.89 1.99 1.05 0.00 0.00 0.00 175.10 177.58 1nxm h GLU 16 N 8.92 0.05 0.00 2.72 9.09 -1.94 -1.38 114.58 132.05 1nxm h GLU 16 Ca -0.30 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.08 1nxm h GLU 16 Cb 1.10 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1nxm h GLU 16 CO 1.04 0.21 -0.11 0.00 0.05 0.00 0.00 179.01 180.20 1nxm h ALA 17 N 1.80 1.16 -3.13 1.06 0.00 -1.93 -3.38 119.26 114.84 1nxm h ALA 17 Ca 0.01 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.21 1nxm h ALA 17 Cb 0.31 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.68 1nxm h ALA 17 CO 0.02 0.14 -0.74 0.42 0.00 0.00 0.00 179.25 179.09 1nxm s ILE 18 N -4.01 1.38 0.13 0.00 1.01 -0.52 -4.74 121.20 114.45 1nxm s ILE 18 Ca -0.02 -2.20 -0.35 0.00 0.00 0.00 0.00 60.65 58.08 1nxm s ILE 18 Cb 0.12 -2.00 -0.16 0.00 0.01 0.00 0.00 42.46 40.44 1nxm s ILE 18 CO 0.57 -0.79 1.37 -2.65 0.00 0.00 0.00 174.94 173.44 1nxm n PRO 19 N 4.01 1.46 0.00 2.79 -0.02 -1.26 -1.65 135.00 140.33 1nxm n PRO 19 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1nxm n PRO 19 Cb 0.37 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.61 3.33 3.76 -1.23 0.00 -1.26 -4.91 105.19 107.50 1nxm n GLY 20 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.69 4.48 -0.02 1.61 0.00 -0.66 -4.64 119.30 119.38 1nxm s MET 21 Ca 0.00 1.87 0.02 0.00 0.00 0.00 0.00 55.69 57.58 1nxm s MET 21 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 34.83 31.77 1nxm s MET 21 CO 0.00 0.05 -0.08 -0.51 0.00 0.00 0.00 175.02 174.48 1nxm s LEU 22 N -1.72 1.81 -0.12 4.11 1.43 -1.02 -1.72 118.68 121.44 1nxm s LEU 22 Ca 0.48 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1nxm s LEU 22 Cb -0.33 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1nxm s LEU 22 CO 0.42 0.06 -0.03 -0.70 0.23 0.00 0.00 176.35 176.33 1nxm s GLU 23 N 0.16 3.30 -0.02 1.70 2.12 0.05 -0.56 118.70 125.45 1nxm s GLU 23 Ca -0.02 -0.49 0.06 0.00 0.36 0.00 0.00 54.97 54.89 1nxm s GLU 23 Cb -0.07 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.47 1nxm s GLU 23 CO 0.00 0.46 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.92 1nxm s PHE 24 N -0.23 2.50 -0.07 5.30 0.40 0.09 -0.24 117.98 125.72 1nxm s PHE 24 Ca 0.04 -0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 55.86 1nxm s PHE 24 Cb -0.13 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1nxm s PHE 24 CO 0.02 0.09 0.59 -0.51 0.70 0.00 0.00 175.22 176.11 1nxm s ASP 25 N -0.77 6.86 -0.16 1.36 1.01 -0.36 -1.55 116.67 123.06 1nxm s ASP 25 Ca 0.11 1.03 -0.02 0.00 0.71 0.00 0.00 52.55 54.38 1nxm s ASP 25 Cb -0.10 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1nxm s ASP 25 CO 0.00 -0.03 -0.07 -0.63 0.21 0.00 0.00 175.17 174.65 1nxm s ILE 26 N 0.53 3.47 0.01 0.77 -1.09 -0.31 -2.55 121.20 122.03 1nxm s ILE 26 Ca 0.32 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 1nxm s ILE 26 Cb -0.17 -2.51 -0.07 0.00 -1.58 0.00 0.00 42.46 38.14 1nxm s ILE 26 CO 0.15 0.49 1.64 -2.84 -1.23 0.00 0.00 174.94 173.15 1nxm s PRO 27 N 0.56 4.20 -0.13 2.79 0.02 -1.24 -4.59 135.00 136.60 1nxm s PRO 27 Ca -0.05 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.24 1nxm s PRO 27 Cb -0.15 -3.78 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1nxm s PRO 27 CO 0.03 -0.77 -0.21 0.08 -0.33 0.00 0.00 177.00 175.80 1nxm s VAL 28 N 3.26 2.20 -0.19 3.83 1.01 -1.26 -4.35 120.40 124.89 1nxm s VAL 28 Ca 0.73 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1nxm s VAL 28 Cb -0.36 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1nxm s VAL 28 CO 0.31 0.55 -0.09 -1.00 0.00 0.00 0.00 175.10 174.86 1nxm s HIS 29 N 0.69 2.89 -1.48 5.22 3.76 -0.33 -1.14 115.29 124.90 1nxm s HIS 29 Ca -0.10 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1nxm s HIS 29 Cb -0.16 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.51 1nxm s HIS 29 CO 0.01 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 1nxm n GLY 30 N 4.51 0.44 0.00 -2.22 0.00 -1.26 -1.40 105.19 105.26 1nxm n GLY 30 Ca -0.19 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.25 1.61 3.85 -0.75 -4.99 116.55 116.02 1nxm n ASP 31 Ca 0.00 -0.72 0.20 0.00 -0.71 0.00 0.00 54.79 53.56 1nxm n ASP 31 Cb 0.00 0.00 0.52 0.00 -1.35 0.00 0.00 41.12 40.29 1nxm n ASP 31 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1nxm h ASN 32 N 0.00 0.39 1.03 -1.12 -1.07 -2.04 -1.86 115.58 110.91 1nxm h ASN 32 Ca 0.00 0.04 -0.07 0.00 0.07 0.00 0.00 56.30 56.35 1nxm h ASN 32 Cb 0.00 -0.03 -0.01 0.00 -2.07 0.00 0.00 38.32 36.21 1nxm h ASN 32 CO 0.00 0.15 -0.31 0.03 0.07 0.00 0.00 177.43 177.36 1nxm h ARG 33 N 0.39 0.00 0.00 4.14 3.08 -2.03 -3.47 114.38 116.48 1nxm h ARG 33 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1nxm h ARG 33 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1nxm h ARG 33 CO -0.18 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1nxm n GLY 34 N 0.39 2.62 3.76 0.04 0.00 -0.70 -5.19 105.19 106.11 1nxm n GLY 34 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.80 0.06 0.01 1.61 1.48 -1.26 -1.81 118.94 117.23 1nxm s TRP 35 Ca 0.00 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 54.53 1nxm s TRP 35 Cb 0.00 0.54 -0.01 0.00 -1.16 0.00 0.00 33.47 32.84 1nxm s TRP 35 CO 0.00 -1.20 0.00 0.12 -4.06 0.00 0.00 176.95 171.81 1nxm s PHE 36 N -3.74 0.16 0.03 1.66 5.36 -0.49 -4.97 117.98 115.99 1nxm s PHE 36 Ca 0.16 -0.32 -0.09 0.00 -0.96 0.00 0.00 56.93 55.72 1nxm s PHE 36 Cb -0.04 -0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 1nxm s PHE 36 CO 0.09 -0.15 0.17 -1.59 -1.46 0.00 0.00 175.22 172.28 1nxm s LYS 37 N -1.03 0.64 -0.69 10.12 -2.85 -1.26 -1.19 119.74 123.49 1nxm s LYS 37 Ca -0.11 -0.60 -0.24 0.00 -1.00 0.00 0.00 55.97 54.02 1nxm s LYS 37 Cb -0.07 0.26 0.06 0.00 -2.06 0.00 0.00 37.83 36.03 1nxm s LYS 37 CO -0.00 -0.18 1.05 -1.21 0.10 0.00 0.00 175.35 175.10 1nxm s GLU 38 N -2.36 3.14 0.27 1.78 2.02 -1.26 -4.91 118.70 117.37 1nxm s GLU 38 Ca -0.07 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1nxm s GLU 38 Cb -0.02 -4.24 0.36 0.00 0.10 0.00 0.00 34.13 30.33 1nxm s GLU 38 CO -0.03 -1.90 1.74 -0.97 0.02 0.00 0.00 175.26 174.12 1nxm h ASN 39 N 9.67 0.67 -3.00 -0.19 -1.24 -1.96 -3.43 115.58 116.09 1nxm h ASN 39 Ca -0.27 -0.18 -0.14 0.00 0.71 0.00 0.00 56.30 56.41 1nxm h ASN 39 Cb 1.06 -0.18 -0.28 0.00 0.73 0.00 0.00 38.32 39.65 1nxm h ASN 39 CO 1.21 0.80 -0.39 0.12 -1.29 0.00 0.00 177.43 177.88 1nxm s PHE 40 N -4.81 -0.57 -0.25 0.67 5.36 -1.26 -5.05 117.98 112.07 1nxm s PHE 40 Ca -0.09 1.20 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 1nxm s PHE 40 Cb 0.14 0.18 0.08 0.00 -0.34 0.00 0.00 43.02 43.09 1nxm s PHE 40 CO 0.80 -0.36 0.07 -1.14 -1.46 0.00 0.00 175.22 173.13 1nxm s GLN 41 N 1.86 0.66 0.20 10.12 -0.44 -1.26 -5.04 119.66 125.77 1nxm s GLN 41 Ca -0.06 -0.71 -0.11 0.00 -2.50 0.00 0.00 55.36 51.99 1nxm s GLN 41 Cb -0.10 -1.98 0.17 0.00 -1.64 0.00 0.00 33.01 29.46 1nxm s GLN 41 CO -0.11 -0.82 1.86 -0.22 0.50 0.00 0.00 175.29 176.50 1nxm h LYS 42 N 8.19 0.88 -0.09 1.67 3.64 -1.99 -1.00 116.57 127.86 1nxm h LYS 42 Ca -0.16 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1nxm h LYS 42 Cb 1.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1nxm h LYS 42 CO 0.40 0.58 -0.21 1.49 -2.27 0.00 0.00 179.45 179.45 1nxm h GLU 43 N 0.90 0.15 0.00 1.90 4.81 -2.01 -1.95 114.58 118.38 1nxm h GLU 43 Ca 0.27 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1nxm h GLU 43 Cb -0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1nxm h GLU 43 CO -0.08 0.36 -0.87 0.87 -0.73 0.00 0.00 179.01 178.55 1nxm h LYS 44 N 0.14 0.00 0.14 1.92 1.57 -1.84 -3.38 116.57 115.12 1nxm h LYS 44 Ca 0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 1nxm h LYS 44 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1nxm h LYS 44 CO 0.03 0.58 -1.58 0.52 -0.57 0.00 0.00 179.45 178.43 1nxm h MET 45 N 0.00 0.30 -0.17 3.15 2.86 -0.77 -3.34 114.93 116.96 1nxm h MET 45 Ca -0.05 -0.51 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 1nxm h MET 45 Cb 1.55 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 33.36 1nxm h MET 45 CO 0.08 1.18 -0.09 -0.07 1.06 0.00 0.00 176.91 179.06 1nxm h LEU 46 N 0.08 -0.31 -1.15 1.22 3.38 -1.55 -1.83 115.31 115.16 1nxm h LEU 46 Ca -0.27 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1nxm h LEU 46 Cb 2.04 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.96 1nxm h LEU 46 CO 0.17 -0.12 0.00 1.55 0.09 0.00 0.00 178.44 180.13 1nxm h PRO 47 N -0.08 0.00 -0.00 1.13 0.13 -1.76 -1.31 132.00 130.10 1nxm h PRO 47 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nxm h PRO 47 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1nxm h PRO 47 CO -0.22 0.00 -0.08 1.28 -0.23 0.00 0.00 178.00 178.75 1nxm n LEU 48 N -2.38 0.46 0.00 1.56 4.77 -0.74 -4.93 117.00 115.75 1nxm n LEU 48 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1nxm n LEU 48 Cb 0.16 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nxm n LEU 48 CO 0.17 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1nxm n GLY 49 N 1.23 0.84 3.68 -0.72 0.00 -0.49 -4.73 105.19 105.00 1nxm n GLY 49 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.80 2.45 -2.45 1.61 7.35 -0.89 -4.86 117.46 119.87 1nxm n PHE 50 Ca 0.00 0.04 -0.42 0.00 -0.76 0.00 0.00 57.45 56.31 1nxm n PHE 50 Cb 0.00 -2.65 -0.03 0.00 0.35 0.00 0.00 39.48 37.15 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 2.26 4.47 0.53 -7.13 0.04 -1.26 -4.42 135.00 129.50 1nxm s PRO 51 Ca 0.83 1.74 0.23 0.00 0.04 0.00 0.00 61.00 63.84 1nxm s PRO 51 Cb -0.60 -3.33 1.44 0.00 0.04 0.00 0.00 34.50 32.05 1nxm s PRO 51 CO 0.40 -0.17 2.14 1.49 0.04 0.00 0.00 177.00 180.90 1nxm h GLU 52 N 6.39 0.00 -0.17 4.56 4.57 -1.93 -1.56 114.58 126.44 1nxm h GLU 52 Ca -0.42 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1nxm h GLU 52 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1nxm h GLU 52 CO 0.79 0.06 0.21 0.66 -1.18 0.00 0.00 179.01 179.55 1nxm h SER 53 N 0.00 0.00 -0.68 1.04 4.64 -2.01 -1.28 113.55 115.26 1nxm h SER 53 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1nxm h SER 53 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1nxm h SER 53 CO 0.01 0.00 0.45 0.15 -0.87 0.00 0.00 176.83 176.57 1nxm h PHE 54 N 0.00 0.55 -0.02 4.77 3.57 -1.67 -2.18 116.94 121.97 1nxm h PHE 54 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1nxm h PHE 54 Cb 0.50 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1nxm h PHE 54 CO 0.00 0.26 -0.03 1.19 -2.23 0.00 0.00 178.31 177.50 1nxm n PHE 55 N -4.48 0.00 -0.29 0.41 3.01 -0.49 -4.62 117.46 111.00 1nxm n PHE 55 Ca 0.11 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.60 1nxm n PHE 55 Cb 0.37 -0.00 0.16 0.00 -0.01 0.00 0.00 39.48 40.00 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 4.48 1.17 -0.02 4.37 0.00 -1.42 -2.09 119.26 125.76 1nxm h ALA 56 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nxm h ALA 56 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nxm h ALA 56 CO 0.00 0.11 -0.12 0.39 0.00 0.00 0.00 179.25 179.64 1nxm n GLU 57 N -4.73 1.48 -1.83 0.00 1.02 -1.26 -4.95 120.64 110.38 1nxm n GLU 57 Ca 0.13 -0.98 -0.11 0.00 -0.02 0.00 0.00 57.16 56.19 1nxm n GLU 57 Cb 0.26 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.27 0.47 3.83 0.62 0.00 -0.79 -5.02 105.19 105.58 1nxm n GLY 58 Ca 0.15 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.85 3.26 -0.17 1.61 1.02 -1.26 -5.10 119.74 115.26 1nxm s LYS 59 Ca 0.00 -0.34 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 1nxm s LYS 59 Cb 0.00 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1nxm s LYS 59 CO 0.00 0.70 0.43 -1.17 -0.92 0.00 0.00 175.35 174.38 1nxm s LEU 60 N -1.52 0.04 -0.10 3.17 2.96 -1.26 -4.48 118.68 117.49 1nxm s LEU 60 Ca 0.21 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 54.93 1nxm s LEU 60 Cb -0.12 1.43 0.03 0.00 0.50 0.00 0.00 46.19 48.02 1nxm s LEU 60 CO 0.12 -0.18 0.26 -1.58 -1.32 0.00 0.00 176.35 173.65 1nxm s GLN 61 N 0.98 0.30 -0.20 1.98 0.74 -0.74 -5.00 119.66 117.72 1nxm s GLN 61 Ca -0.06 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1nxm s GLN 61 Cb -0.06 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.21 1nxm s GLN 61 CO -0.08 -0.04 -0.16 1.21 -0.55 0.00 0.00 175.29 175.67 1nxm s ASN 62 N 0.16 3.52 0.06 6.67 3.04 -1.26 -0.59 114.94 126.54 1nxm s ASN 62 Ca -0.00 -0.73 0.03 0.00 0.04 0.00 0.00 52.86 52.20 1nxm s ASN 62 Cb -0.02 -1.53 -0.04 0.00 -1.54 0.00 0.00 41.25 38.12 1nxm s ASN 62 CO 0.00 -0.04 0.05 0.20 -3.04 0.00 0.00 177.10 174.27 1nxm s ASN 63 N 1.29 5.35 -0.04 -4.21 0.02 -0.32 -4.96 114.94 112.07 1nxm s ASN 63 Ca 0.03 -0.03 0.02 0.00 -1.02 0.00 0.00 52.86 51.86 1nxm s ASN 63 Cb -0.14 -1.41 0.01 0.00 0.02 0.00 0.00 41.25 39.73 1nxm s ASN 63 CO -0.10 0.21 -0.08 -0.69 0.02 0.00 0.00 177.10 176.46 1nxm s VAL 64 N -1.29 0.72 -0.06 1.60 1.01 -1.26 -0.84 120.40 120.28 1nxm s VAL 64 Ca 0.26 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1nxm s VAL 64 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1nxm s VAL 64 CO 0.18 0.25 -0.22 -0.94 0.00 0.00 0.00 175.10 174.37 1nxm s SER 65 N 0.54 3.35 -0.26 3.32 1.04 -0.12 -4.97 113.70 116.59 1nxm s SER 65 Ca -0.08 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1nxm s SER 65 Cb -0.12 -0.90 0.02 0.00 0.10 0.00 0.00 66.02 65.13 1nxm s SER 65 CO 0.01 0.26 -0.02 0.12 0.98 0.00 0.00 173.24 174.59 1nxm s PHE 66 N -0.24 3.10 0.06 5.02 5.36 -1.26 -0.58 117.98 129.44 1nxm s PHE 66 Ca -0.01 -1.41 0.02 0.00 -0.96 0.00 0.00 56.93 54.57 1nxm s PHE 66 Cb -0.13 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 1nxm s PHE 66 CO 0.03 -0.69 -0.08 -1.12 -1.46 0.00 0.00 175.22 171.90 1nxm s SER 67 N 1.37 1.00 0.31 6.13 0.01 -0.55 -4.96 113.70 117.01 1nxm s SER 67 Ca 0.01 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 56.60 1nxm s SER 67 Cb -0.17 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 1nxm s SER 67 CO -0.02 -0.30 0.41 0.00 0.41 0.00 0.00 173.24 173.74 1nxm s ARG 68 N -2.44 3.12 0.18 12.44 1.70 -1.26 -0.87 118.95 131.82 1nxm s ARG 68 Ca -0.01 -1.00 -0.32 0.00 -0.47 0.00 0.00 55.73 53.92 1nxm s ARG 68 Cb -0.04 -2.77 -0.16 0.00 -0.57 0.00 0.00 34.95 31.41 1nxm s ARG 68 CO -0.01 0.16 1.14 1.17 -1.08 0.00 0.00 175.30 176.67 1nxm n LYS 69 N -1.53 1.14 -0.31 3.89 4.81 -0.27 -1.90 118.16 123.98 1nxm n LYS 69 Ca -0.02 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1nxm n LYS 69 Cb 0.58 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 1.94 0.00 -4.73 3.14 3.02 -0.18 -4.92 115.26 113.53 1nxm n ASN 70 Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 1nxm n ASN 70 Cb 0.25 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.18 -3.73 2.41 0.31 -0.80 -1.03 118.33 114.68 1nxm n VAL 71 Ca 0.00 -0.30 -0.24 0.00 -0.01 0.00 0.00 64.34 63.80 1nxm n VAL 71 Cb 0.00 -1.81 -0.17 0.00 -0.91 0.00 0.00 33.84 30.95 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 -0.53 0.58 -0.02 7.52 0.20 -0.64 -0.64 118.68 125.15 1nxm s LEU 72 Ca 0.63 -0.25 0.07 0.00 0.69 0.00 0.00 54.13 55.28 1nxm s LEU 72 Cb -0.54 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1nxm s LEU 72 CO 0.51 -0.24 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.96 1nxm s ARG 73 N 2.01 1.92 0.00 1.98 1.81 -0.19 -4.43 118.95 122.05 1nxm s ARG 73 Ca 0.04 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 1nxm s ARG 73 Cb -0.14 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.51 1nxm s ARG 73 CO -0.06 0.51 0.00 0.41 -0.68 0.00 0.00 175.30 175.48 1nxm n GLY 74 N 2.48 0.93 3.48 -3.53 0.00 -1.26 -0.90 105.19 106.39 1nxm n GLY 74 Ca -0.16 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 3.48 -0.14 0.99 1.43 -0.93 -4.40 118.68 119.11 1nxm s LEU 75 Ca 0.00 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1nxm s LEU 75 Cb 0.00 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1nxm s LEU 75 CO 0.00 0.02 -0.21 -1.00 0.23 0.00 0.00 176.35 175.39 1nxm s HIS 76 N 1.30 2.58 -0.23 0.29 3.76 -0.38 -1.58 115.29 121.02 1nxm s HIS 76 Ca 0.05 -1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 53.58 1nxm s HIS 76 Cb -0.15 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1nxm s HIS 76 CO 0.03 -0.59 0.12 0.00 -0.85 0.00 0.00 174.74 173.45 1nxm s ALA 77 N 0.83 3.46 0.39 -1.40 0.00 0.17 -0.74 121.76 124.48 1nxm s ALA 77 Ca -0.07 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1nxm s ALA 77 Cb -0.15 -2.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1nxm s ALA 77 CO -0.02 -0.18 0.00 -1.21 0.00 0.00 0.00 175.76 174.35 1nxm s GLU 78 N 1.04 1.96 0.00 0.00 2.02 -1.26 -1.83 118.70 120.63 1nxm s GLU 78 Ca 0.06 -2.03 0.06 0.00 0.02 0.00 0.00 54.97 53.08 1nxm s GLU 78 Cb -0.14 -1.70 0.37 0.00 0.10 0.00 0.00 34.13 32.76 1nxm s GLU 78 CO 0.04 -0.00 0.81 -2.30 0.02 0.00 0.00 175.26 173.83 1nxm n PRO 79 N -0.95 0.45 -4.09 0.39 -0.02 -1.26 -3.68 135.00 125.84 1nxm n PRO 79 Ca -0.05 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.34 1nxm n PRO 79 Cb 0.66 -1.22 -0.10 0.00 -0.02 0.00 0.00 33.50 32.82 1nxm n PRO 79 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1nxm s TRP 80 N -2.00 0.60 0.61 6.00 -2.14 -1.26 -4.94 118.94 115.81 1nxm s TRP 80 Ca 0.09 -0.86 -0.14 0.00 2.66 0.00 0.00 56.10 57.86 1nxm s TRP 80 Cb 0.04 -0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 29.99 1nxm s TRP 80 CO 0.07 -0.24 1.04 -0.51 -2.66 0.00 0.00 176.95 174.65 1nxm s ASP 81 N -2.52 5.88 -0.00 -2.66 1.01 -1.26 -3.87 116.67 113.24 1nxm s ASP 81 Ca 0.02 1.66 0.01 0.00 0.71 0.00 0.00 52.55 54.95 1nxm s ASP 81 Cb 0.02 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1nxm s ASP 81 CO -0.06 -1.10 -0.03 -0.54 0.21 0.00 0.00 175.17 173.65 1nxm s LYS 82 N -4.49 0.29 -0.27 8.23 1.02 -0.62 -3.38 119.74 120.53 1nxm s LYS 82 Ca 0.60 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.48 1nxm s LYS 82 Cb -0.14 -0.29 0.05 0.00 -0.52 0.00 0.00 37.83 36.93 1nxm s LYS 82 CO 0.43 0.06 -0.07 -0.47 -0.92 0.00 0.00 175.35 174.38 1nxm s TYR 83 N 0.00 3.18 -0.15 3.18 5.04 0.07 -0.54 117.35 128.13 1nxm s TYR 83 Ca 0.00 -1.94 -0.04 0.00 -2.44 0.00 0.00 57.07 52.66 1nxm s TYR 83 Cb -0.02 -2.02 -0.03 0.00 0.35 0.00 0.00 41.96 40.24 1nxm s TYR 83 CO -0.00 -0.81 -0.04 0.42 -1.34 0.00 0.00 175.55 173.78 1nxm s ILE 84 N 1.22 3.91 0.08 3.14 -1.09 0.14 -0.96 121.20 127.64 1nxm s ILE 84 Ca -0.05 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1nxm s ILE 84 Cb -0.19 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1nxm s ILE 84 CO -0.04 0.50 0.11 -0.24 -1.23 0.00 0.00 174.94 174.04 1nxm n SER 85 N 3.49 -0.31 -4.34 3.58 2.88 -0.61 -1.25 113.62 117.07 1nxm n SER 85 Ca -0.17 -1.44 -0.32 0.00 -1.33 0.00 0.00 58.87 55.61 1nxm n SER 85 Cb 0.52 0.58 -0.15 0.00 -0.75 0.00 0.00 64.21 64.41 1nxm n SER 85 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nxm s VAL 86 N -2.51 2.43 -0.69 2.46 1.01 -1.26 -1.02 120.40 120.81 1nxm s VAL 86 Ca 0.07 -0.94 0.17 0.00 0.00 0.00 0.00 61.98 61.28 1nxm s VAL 86 Cb -0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 36.38 34.26 1nxm s VAL 86 CO 0.05 0.57 0.68 0.00 0.00 0.00 0.00 175.10 176.40 1nxm n ALA 87 N 2.78 4.02 -2.99 5.51 0.00 0.23 -4.08 120.51 125.99 1nxm n ALA 87 Ca -0.17 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1nxm n ALA 87 Cb 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.53 1.95 -0.15 0.00 5.75 -1.26 -5.00 116.55 116.32 1nxm n ASP 88 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.87 1nxm n ASP 88 Cb 0.30 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.64 1.68 6.12 0.00 -1.26 -4.37 105.19 111.72 1nxm n GLY 89 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.79 -0.35 3.44 -0.02 0.00 -1.26 -4.96 105.19 102.83 1nxm n GLY 90 Ca 0.10 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.94 0.94 0.13 1.61 -2.85 -1.26 -4.31 119.74 110.06 1nxm s LYS 91 Ca 0.31 0.14 0.05 0.00 -1.00 0.00 0.00 55.97 55.46 1nxm s LYS 91 Cb -0.01 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1nxm s LYS 91 CO 0.21 -0.28 -0.12 0.14 0.10 0.00 0.00 175.35 175.40 1nxm s VAL 92 N -1.21 1.21 -0.49 1.79 -7.23 -0.34 -1.30 120.40 112.82 1nxm s VAL 92 Ca -0.12 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 1nxm s VAL 92 Cb -0.02 -1.59 0.04 0.00 0.56 0.00 0.00 36.38 35.37 1nxm s VAL 92 CO 0.08 -0.54 0.76 -0.22 -0.31 0.00 0.00 175.10 174.87 1nxm s LEU 93 N -2.67 4.44 0.27 1.32 2.96 0.03 -0.63 118.68 124.40 1nxm s LEU 93 Ca 0.11 -0.45 -0.24 0.00 -0.22 0.00 0.00 54.13 53.33 1nxm s LEU 93 Cb -0.02 -2.74 -0.09 0.00 0.50 0.00 0.00 46.19 43.84 1nxm s LEU 93 CO 0.02 -0.98 0.85 -0.83 -1.32 0.00 0.00 176.35 174.08 1nxm s GLY 94 N 2.48 2.76 -0.04 7.98 0.00 0.69 -1.56 107.32 119.63 1nxm s GLY 94 Ca 0.25 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.32 1nxm s GLY 94 CO 0.18 0.80 0.09 -1.59 0.00 0.00 0.00 173.10 172.58 1nxm s THR 95 N -1.52 -0.03 0.01 0.90 2.01 -0.68 -1.82 115.64 114.52 1nxm s THR 95 Ca 0.46 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1nxm s THR 95 Cb -0.19 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 1nxm s THR 95 CO 0.23 0.04 -0.06 0.26 -0.69 0.00 0.00 174.62 174.41 1nxm s TRP 96 N 0.55 0.49 -0.08 4.92 0.51 -0.09 -1.28 118.94 123.97 1nxm s TRP 96 Ca -0.04 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 1nxm s TRP 96 Cb -0.06 -0.31 0.02 0.00 -0.81 0.00 0.00 33.47 32.31 1nxm s TRP 96 CO -0.02 -0.03 -0.08 0.08 -0.51 0.00 0.00 176.95 176.40 1nxm s VAL 97 N -0.40 0.88 -0.20 4.03 1.01 -0.63 -1.81 120.40 123.29 1nxm s VAL 97 Ca -0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1nxm s VAL 97 Cb -0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1nxm s VAL 97 CO -0.00 0.32 1.35 -0.62 0.00 0.00 0.00 175.10 176.15 1nxm s ASP 98 N 1.21 6.78 -0.10 3.32 -1.08 0.48 0.29 116.67 127.58 1nxm s ASP 98 Ca -0.05 1.61 0.16 0.00 -0.52 0.00 0.00 52.55 53.74 1nxm s ASP 98 Cb -0.14 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 1nxm s ASP 98 CO -0.02 -0.92 1.46 0.18 0.52 0.00 0.00 175.17 176.39 1nxm n LEU 99 N 7.14 3.97 -4.75 -1.34 4.77 -0.78 0.22 117.00 126.23 1nxm n LEU 99 Ca 0.15 -2.48 -0.40 0.00 -0.03 0.00 0.00 56.01 53.26 1nxm n LEU 99 Cb 0.45 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1nxm n LEU 99 CO 0.59 0.75 0.41 -0.13 -1.33 0.00 0.00 177.39 177.68 1nxm s ARG 100 N -1.88 4.43 0.36 3.23 0.52 -1.20 -1.77 118.95 122.65 1nxm s ARG 100 Ca 0.40 0.94 -0.28 0.00 -0.52 0.00 0.00 55.73 56.27 1nxm s ARG 100 Cb 0.27 -3.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 1nxm s ARG 100 CO 0.17 0.28 1.45 -1.91 0.02 0.00 0.00 175.30 175.31 1nxm n GLU 101 N 2.91 2.54 0.00 3.54 2.13 -0.20 -3.52 120.64 128.04 1nxm n GLU 101 Ca -0.04 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1nxm n GLU 101 Cb 0.51 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 0.70 0.72 0.43 8.31 0.00 -1.26 -4.80 105.19 109.29 1nxm n GLY 102 Ca 0.03 -2.23 0.25 0.00 0.00 0.00 0.00 46.02 44.06 1nxm n GLY 102 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nxm h GLU 103 N 8.48 0.30 -0.48 1.61 4.11 -2.04 -2.97 114.58 123.59 1nxm h GLU 103 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1nxm h GLU 103 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1nxm h GLU 103 CO 0.00 0.20 0.00 0.25 0.07 0.00 0.00 179.01 179.53 1nxm n THR 104 N -4.52 0.63 -1.68 -1.06 -2.24 -1.26 -4.91 114.28 99.23 1nxm n THR 104 Ca 0.24 -0.73 -0.45 0.00 -2.27 0.00 0.00 64.05 60.84 1nxm n THR 104 Cb 0.93 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.25 2.38 0.00 4.78 7.35 -1.12 -1.60 117.46 130.50 1nxm n PHE 105 Ca 0.20 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1nxm n PHE 105 Cb 0.53 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.80 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 3.27 2.49 3.75 7.13 0.00 0.13 -4.99 105.19 116.96 1nxm n GLY 106 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.89 5.06 0.12 1.61 -0.87 -0.63 -4.64 114.94 113.71 1nxm s ASN 107 Ca 0.00 2.58 0.04 0.00 -1.57 0.00 0.00 52.86 53.91 1nxm s ASN 107 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 1nxm s ASN 107 CO 0.00 -1.70 -0.10 0.42 -2.57 0.00 0.00 177.10 173.16 1nxm s THR 108 N -1.43 1.04 -0.00 1.60 -4.23 -1.26 -0.39 115.64 110.97 1nxm s THR 108 Ca 0.77 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 59.23 1nxm s THR 108 Cb -0.36 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1nxm s THR 108 CO 0.40 -0.70 0.29 -0.47 -0.54 0.00 0.00 174.62 173.60 1nxm s TYR 109 N -3.07 -0.15 0.01 3.99 5.04 -0.75 -4.87 117.35 117.56 1nxm s TYR 109 Ca 0.12 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1nxm s TYR 109 Cb 0.01 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.39 1nxm s TYR 109 CO -0.00 -0.40 -0.01 -0.65 -1.34 0.00 0.00 175.55 173.14 1nxm s GLN 110 N -1.54 0.15 0.09 4.97 -0.21 -1.26 -0.91 119.66 120.95 1nxm s GLN 110 Ca -0.12 -0.28 -0.24 0.00 0.02 0.00 0.00 55.36 54.73 1nxm s GLN 110 Cb -0.05 0.05 0.06 0.00 1.00 0.00 0.00 33.01 34.08 1nxm s GLN 110 CO 0.03 -0.02 0.58 -0.08 -2.12 0.00 0.00 175.29 173.68 1nxm s THR 111 N -0.68 0.01 -0.06 -0.19 -1.32 -0.75 -5.00 115.64 107.65 1nxm s THR 111 Ca -0.07 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1nxm s THR 111 Cb -0.05 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1nxm s THR 111 CO -0.00 -0.05 1.10 -0.69 -2.21 0.00 0.00 174.62 172.76 1nxm s VAL 112 N -2.93 4.51 -0.20 5.08 1.01 -1.26 -0.22 120.40 126.39 1nxm s VAL 112 Ca -0.03 1.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.69 1nxm s VAL 112 Cb -0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1nxm s VAL 112 CO -0.06 0.03 0.04 -0.63 0.00 0.00 0.00 175.10 174.49 1nxm s ILE 113 N 1.88 4.40 0.08 2.22 1.01 0.20 -4.91 121.20 126.09 1nxm s ILE 113 Ca 0.53 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1nxm s ILE 113 Cb -0.22 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 1nxm s ILE 113 CO 0.22 0.42 0.04 -0.90 0.00 0.00 0.00 174.94 174.72 1nxm n ASP 114 N 4.03 0.68 0.31 3.58 5.68 -1.26 -1.20 116.55 128.35 1nxm n ASP 114 Ca -0.17 -1.46 0.21 0.00 -0.50 0.00 0.00 54.79 52.87 1nxm n ASP 114 Cb 0.52 0.25 1.06 0.00 -1.14 0.00 0.00 41.12 41.81 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 1.16 1.00 -0.23 2.12 0.00 -1.75 -1.84 119.26 119.72 1nxm h ALA 115 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nxm h ALA 115 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nxm h ALA 115 CO 0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1nxm n SER 116 N -2.97 1.93 -3.99 0.00 3.41 -1.26 -4.80 113.62 105.94 1nxm n SER 116 Ca -0.02 -1.80 -0.13 0.00 -0.26 0.00 0.00 58.87 56.66 1nxm n SER 116 Cb 0.10 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.70 0.40 0.19 4.33 2.20 -0.69 -1.16 119.74 123.31 1nxm s LYS 117 Ca 0.32 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1nxm s LYS 117 Cb 0.17 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1nxm s LYS 117 CO 0.25 0.05 0.08 -1.54 -0.36 0.00 0.00 175.35 173.83 1nxm s SER 118 N -0.90 0.63 -0.02 1.43 1.04 -0.59 -4.43 113.70 110.86 1nxm s SER 118 Ca -0.06 -1.30 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 1nxm s SER 118 Cb -0.06 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.34 1nxm s SER 118 CO -0.00 -0.73 0.05 -0.63 0.98 0.00 0.00 173.24 172.90 1nxm s ILE 119 N -3.94 -0.03 -0.24 -1.02 -1.09 -0.38 -0.73 121.20 113.76 1nxm s ILE 119 Ca 0.32 0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.74 1nxm s ILE 119 Cb 0.07 -0.09 -0.05 0.00 -1.58 0.00 0.00 42.46 40.81 1nxm s ILE 119 CO 0.08 0.05 0.24 0.12 -1.23 0.00 0.00 174.94 174.21 1nxm s PHE 120 N 0.66 3.30 -0.31 3.97 5.36 0.27 -0.68 117.98 130.55 1nxm s PHE 120 Ca -0.05 0.31 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1nxm s PHE 120 Cb -0.08 -2.39 0.06 0.00 -0.34 0.00 0.00 43.02 40.28 1nxm s PHE 120 CO -0.02 -0.03 0.01 0.08 -1.46 0.00 0.00 175.22 173.80 1nxm s VAL 121 N 1.38 2.88 0.52 3.12 1.01 0.30 -2.44 120.40 127.18 1nxm s VAL 121 Ca 0.11 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 1nxm s VAL 121 Cb -0.15 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1nxm s VAL 121 CO 0.07 -0.20 1.28 -2.84 0.00 0.00 0.00 175.10 173.41 1nxm s PRO 122 N 1.20 3.33 0.28 2.72 0.02 -1.26 -1.59 135.00 139.70 1nxm s PRO 122 Ca -0.03 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 1nxm s PRO 122 Cb -0.20 -2.28 -0.14 0.00 0.02 0.00 0.00 34.50 31.90 1nxm s PRO 122 CO -0.02 -0.97 1.01 2.89 -0.33 0.00 0.00 177.00 179.57 1nxm n ARG 123 N -0.90 1.29 -0.07 5.54 1.85 -1.25 -2.01 116.66 121.12 1nxm n ARG 123 Ca 0.10 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 1nxm n ARG 123 Cb 0.46 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 1nxm n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nxm n GLY 124 N 1.33 1.22 3.67 2.89 0.00 -1.24 -5.00 105.19 108.05 1nxm n GLY 124 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.51 5.28 0.26 1.61 1.01 -0.85 -1.87 120.40 123.33 1nxm s VAL 125 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 1nxm s VAL 125 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1nxm s VAL 125 CO 0.00 0.30 1.13 0.00 0.00 0.00 0.00 175.10 176.53 1nxm s ALA 126 N 1.15 3.41 0.02 5.51 0.00 0.15 -4.39 121.76 127.60 1nxm s ALA 126 Ca 0.13 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1nxm s ALA 126 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1nxm s ALA 126 CO 0.06 -0.23 -0.25 1.21 0.00 0.00 0.00 175.76 176.55 1nxm s ASN 127 N -0.62 3.01 0.31 0.00 2.47 0.08 -1.60 114.94 118.59 1nxm s ASN 127 Ca 0.46 -0.52 -0.19 0.00 0.42 0.00 0.00 52.86 53.03 1nxm s ASN 127 Cb -0.32 -0.30 0.04 0.00 -1.45 0.00 0.00 41.25 39.21 1nxm s ASN 127 CO 0.41 0.27 0.77 -0.83 -3.72 0.00 0.00 177.10 174.00 1nxm s GLY 128 N -0.94 0.08 0.06 1.21 0.00 -0.40 -1.25 107.32 106.08 1nxm s GLY 128 Ca 0.10 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 1nxm s GLY 128 CO 0.01 -0.08 0.63 -0.11 0.00 0.00 0.00 173.10 173.55 1nxm s PHE 129 N -3.23 -0.59 -0.07 1.90 -0.12 -0.07 -1.68 117.98 114.12 1nxm s PHE 129 Ca 0.13 0.69 0.04 0.00 -0.05 0.00 0.00 56.93 57.73 1nxm s PHE 129 Cb -0.05 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1nxm s PHE 129 CO 0.08 -0.73 -0.18 -1.14 -0.05 0.00 0.00 175.22 173.20 1nxm s GLN 130 N -2.56 2.21 -0.07 1.99 0.74 -0.60 -1.02 119.66 120.35 1nxm s GLN 130 Ca -0.05 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.42 1nxm s GLN 130 Cb -0.01 -1.78 -0.02 0.00 1.10 0.00 0.00 33.01 32.30 1nxm s GLN 130 CO -0.02 0.15 1.07 0.08 -0.55 0.00 0.00 175.29 176.02 1nxm s VAL 131 N 0.36 4.59 -0.20 1.34 1.01 0.18 -0.79 120.40 126.89 1nxm s VAL 131 Ca -0.13 1.88 0.16 0.00 0.00 0.00 0.00 61.98 63.89 1nxm s VAL 131 Cb -0.15 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 1nxm s VAL 131 CO 0.05 0.03 0.06 0.18 0.00 0.00 0.00 175.10 175.41 1nxm n LEU 132 N 4.88 0.27 -4.96 3.92 4.77 -0.42 -1.01 117.00 124.45 1nxm n LEU 132 Ca 0.09 -0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 1nxm n LEU 132 Cb 0.48 0.37 0.08 0.00 -2.33 0.00 0.00 43.42 42.02 1nxm n LEU 132 CO 0.53 0.54 0.55 -0.94 -1.33 0.00 0.00 177.39 176.73 1nxm s SER 133 N -5.59 4.63 0.22 -1.43 1.04 -1.15 -4.90 113.70 106.52 1nxm s SER 133 Ca -0.12 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 1nxm s SER 133 Cb 0.06 -0.60 0.19 0.00 0.10 0.00 0.00 66.02 65.77 1nxm s SER 133 CO 0.81 -1.66 1.89 0.44 0.98 0.00 0.00 173.24 175.70 1nxm h ASP 134 N -0.48 0.96 -5.37 7.02 3.32 -1.93 -3.06 116.42 116.88 1nxm h ASP 134 Ca -0.41 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.46 1nxm h ASP 134 Cb 1.29 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 1nxm h ASP 134 CO 0.49 0.69 -0.55 -0.36 -1.72 0.00 0.00 179.24 177.80 1nxm s PHE 135 N -6.12 0.70 -0.08 4.55 0.40 -1.26 -1.12 117.98 115.04 1nxm s PHE 135 Ca -0.13 -1.08 -0.14 0.00 -0.60 0.00 0.00 56.93 54.98 1nxm s PHE 135 Cb 0.16 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.37 1nxm s PHE 135 CO 0.79 -0.57 0.36 0.54 0.70 0.00 0.00 175.22 177.04 1nxm s VAL 136 N -4.01 0.02 -0.44 -0.44 0.11 -0.04 -4.21 120.40 111.38 1nxm s VAL 136 Ca 0.21 -0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 1nxm s VAL 136 Cb 0.06 -0.58 0.08 0.00 -1.53 0.00 0.00 36.38 34.42 1nxm s VAL 136 CO 0.00 -0.11 0.31 0.00 -3.33 0.00 0.00 175.10 171.98 1nxm s ALA 137 N -0.48 3.39 -0.39 1.54 0.00 -1.26 -1.48 121.76 123.08 1nxm s ALA 137 Ca -0.06 -2.18 -0.13 0.00 0.00 0.00 0.00 51.96 49.58 1nxm s ALA 137 Cb -0.04 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1nxm s ALA 137 CO 0.02 -1.71 0.26 -0.47 0.00 0.00 0.00 175.76 173.87 1nxm s TYR 138 N 1.49 3.24 -0.14 0.00 5.04 0.25 -0.60 117.35 126.63 1nxm s TYR 138 Ca 0.03 -0.69 0.02 0.00 -2.44 0.00 0.00 57.07 54.00 1nxm s TYR 138 Cb -0.24 -2.53 0.01 0.00 0.35 0.00 0.00 41.96 39.55 1nxm s TYR 138 CO 0.03 -0.59 -0.21 0.45 -1.34 0.00 0.00 175.55 173.89 1nxm s SER 139 N 1.64 3.05 0.04 4.32 0.15 -0.19 -0.95 113.70 121.77 1nxm s SER 139 Ca 0.04 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.11 1nxm s SER 139 Cb -0.19 -1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 1nxm s SER 139 CO 0.09 0.07 -0.05 -0.72 1.20 0.00 0.00 173.24 173.82 1nxm s TYR 140 N 0.87 0.55 -0.10 3.44 -0.85 -0.02 -1.57 117.35 119.68 1nxm s TYR 140 Ca -0.06 -0.65 -0.01 0.00 -0.52 0.00 0.00 57.07 55.83 1nxm s TYR 140 Cb -0.15 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 1nxm s TYR 140 CO -0.03 -0.17 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.28 1nxm s LEU 141 N -1.94 3.32 0.21 -3.49 1.43 -0.14 -1.18 118.68 116.89 1nxm s LEU 141 Ca -0.06 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1nxm s LEU 141 Cb -0.05 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1nxm s LEU 141 CO -0.02 0.32 -0.05 0.68 0.23 0.00 0.00 176.35 177.50 1nxm s VAL 142 N -0.54 1.23 -0.17 -1.59 -7.23 0.24 -0.75 120.40 111.59 1nxm s VAL 142 Ca 0.08 -2.07 0.14 0.00 -1.81 0.00 0.00 61.98 58.32 1nxm s VAL 142 Cb -0.12 -2.18 0.37 0.00 0.56 0.00 0.00 36.38 35.01 1nxm s VAL 142 CO 0.02 -0.47 1.19 -0.46 -0.31 0.00 0.00 175.10 175.07 1nxm n ASN 143 N -0.37 1.80 -3.82 4.85 6.94 -1.22 -1.78 115.26 121.66 1nxm n ASN 143 Ca -0.07 -3.50 -0.08 0.00 -0.02 0.00 0.00 54.58 50.91 1nxm n ASN 143 Cb 0.62 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.54 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 -2.99 -0.27 0.21 0.53 -1.08 -1.26 -4.59 116.67 107.21 1nxm s ASP 144 Ca 0.35 -0.57 0.11 0.00 -0.52 0.00 0.00 52.55 51.92 1nxm s ASP 144 Cb 0.34 0.68 -0.04 0.00 -1.46 0.00 0.00 42.92 42.43 1nxm s ASP 144 CO -0.05 -1.25 -0.23 -0.31 0.52 0.00 0.00 175.17 173.86 1nxm s TYR 145 N -3.91 2.32 0.25 -5.34 1.51 -1.26 -4.86 117.35 106.07 1nxm s TYR 145 Ca 0.11 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 1nxm s TYR 145 Cb -0.04 -1.13 -0.13 0.00 -0.11 0.00 0.00 41.96 40.55 1nxm s TYR 145 CO 0.04 0.53 1.33 1.87 -1.11 0.00 0.00 175.55 178.21 1nxm n TRP 146 N 0.12 2.03 -3.70 2.71 -0.00 -1.26 -4.99 117.44 112.34 1nxm n TRP 146 Ca -0.11 0.50 -0.14 0.00 -0.00 0.00 0.00 57.50 57.75 1nxm n TRP 146 Cb 0.57 -2.42 -0.09 0.00 -0.00 0.00 0.00 31.31 29.37 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 -0.32 -1.11 0.26 5.87 0.00 -1.26 -5.03 121.76 120.16 1nxm s ALA 147 Ca 0.66 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 53.57 1nxm s ALA 147 Cb -0.66 -0.38 0.52 0.00 0.00 0.00 0.00 23.12 22.60 1nxm s ALA 147 CO 0.53 -0.25 1.69 1.25 0.00 0.00 0.00 175.76 178.97 1nxm h LEU 148 N 4.60 0.08 -0.89 0.00 6.46 -2.03 -1.28 115.31 122.23 1nxm h LEU 148 Ca -0.28 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1nxm h LEU 148 Cb 1.17 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1nxm h LEU 148 CO 0.30 -0.03 0.00 -1.84 -0.62 0.00 0.00 178.44 176.25 1nxm n GLU 149 N -5.14 0.18 0.00 1.25 0.28 -1.26 -0.92 120.64 115.04 1nxm n GLU 149 Ca 0.16 0.48 0.14 0.00 -0.16 0.00 0.00 57.16 57.78 1nxm n GLU 149 Cb 0.50 -1.90 0.65 0.00 1.43 0.00 0.00 31.44 32.13 1nxm n GLU 149 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nxm n LEU 150 N -2.25 0.50 -0.31 -1.84 4.32 -0.48 -4.39 117.00 112.56 1nxm n LEU 150 Ca 0.01 -0.04 0.14 0.00 -0.02 0.00 0.00 56.01 56.10 1nxm n LEU 150 Cb 0.18 -0.14 0.32 0.00 -1.62 0.00 0.00 43.42 42.16 1nxm n LEU 150 CO 0.17 0.09 1.04 0.50 -1.22 0.00 0.00 177.39 177.97 1nxm h LYS 151 N 0.67 0.36 0.00 3.23 3.64 -1.14 0.15 116.57 123.47 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 0.32 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nxm h LYS 151 CO 0.00 0.24 0.00 -1.35 -2.27 0.00 0.00 179.45 176.07 1nxm h PRO 152 N 0.37 0.00 0.00 1.90 0.11 -1.84 -2.80 132.00 129.74 1nxm h PRO 152 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1nxm h PRO 152 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nxm h PRO 152 CO -0.55 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 178.87 1nxm n LYS 153 N -2.51 0.02 -2.96 1.05 5.02 0.52 -4.82 118.16 114.47 1nxm n LYS 153 Ca 0.00 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1nxm n LYS 153 Cb 0.18 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1nxm n LYS 153 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1nxm s TYR 154 N -3.01 3.90 0.07 2.13 1.51 -1.06 -4.26 117.35 116.64 1nxm s TYR 154 Ca 0.13 1.64 0.02 0.00 -1.01 0.00 0.00 57.07 57.85 1nxm s TYR 154 Cb 0.17 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 1nxm s TYR 154 CO 0.50 0.49 -0.07 0.00 -1.11 0.00 0.00 175.55 175.37 1nxm s ALA 155 N -1.06 0.77 0.02 3.71 0.00 -0.76 -5.03 121.76 119.41 1nxm s ALA 155 Ca 0.36 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1nxm s ALA 155 Cb -0.23 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1nxm s ALA 155 CO 0.26 -0.17 -0.06 -0.06 0.00 0.00 0.00 175.76 175.73 1nxm s PHE 156 N -2.79 0.55 0.01 0.00 0.40 -1.26 -0.65 117.98 114.23 1nxm s PHE 156 Ca 0.03 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1nxm s PHE 156 Cb -0.00 -0.34 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 1nxm s PHE 156 CO -0.03 -0.05 -0.04 0.54 0.70 0.00 0.00 175.22 176.34 1nxm s VAL 157 N -0.75 0.26 0.17 -0.44 0.11 -0.62 -4.41 120.40 114.72 1nxm s VAL 157 Ca -0.04 -0.37 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 1nxm s VAL 157 Cb -0.06 -0.27 -0.09 0.00 -1.53 0.00 0.00 36.38 34.44 1nxm s VAL 157 CO 0.00 -0.08 1.37 0.21 -3.33 0.00 0.00 175.10 173.27 1nxm s ASN 158 N -0.48 6.83 0.41 3.54 3.84 -0.66 -2.19 114.94 126.22 1nxm s ASN 158 Ca -0.03 2.41 0.09 0.00 0.21 0.00 0.00 52.86 55.54 1nxm s ASN 158 Cb -0.04 -2.60 0.88 0.00 -0.55 0.00 0.00 41.25 38.94 1nxm s ASN 158 CO -0.00 -0.61 2.02 0.10 -2.79 0.00 0.00 177.10 175.82 1nxm h TYR 159 N 5.97 0.55 -0.62 0.43 -0.00 -1.80 -2.76 116.97 118.73 1nxm h TYR 159 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.31 1nxm h TYR 159 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.76 1nxm h TYR 159 CO 0.63 0.31 0.00 0.00 -0.00 0.00 0.00 178.16 179.11 1nxm n ALA 160 N -2.48 2.76 -1.89 0.10 0.00 -1.26 -4.93 120.51 112.80 1nxm n ALA 160 Ca 0.06 -1.29 -0.42 0.00 0.00 0.00 0.00 53.44 51.79 1nxm n ALA 160 Cb 0.18 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.91 6.55 0.07 0.00 -1.08 -1.04 -4.81 116.67 115.45 1nxm s ASP 161 Ca 0.45 2.34 0.11 0.00 -0.52 0.00 0.00 52.55 54.92 1nxm s ASP 161 Cb 0.27 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.68 1nxm s ASP 161 CO 0.26 -1.01 1.33 -0.81 0.52 0.00 0.00 175.17 175.46 1nxm n PRO 162 N 7.33 0.04 0.10 4.34 -0.04 -1.26 -2.28 135.00 143.24 1nxm n PRO 162 Ca 0.19 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1nxm n PRO 162 Cb 0.42 -1.61 0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1nxm n PRO 162 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nxm h SER 163 N 0.00 0.00 -3.65 3.54 4.64 -1.98 -3.46 113.55 112.64 1nxm h SER 163 Ca 0.00 -0.09 -0.52 0.00 -0.47 0.00 0.00 61.79 60.72 1nxm h SER 163 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1nxm h SER 163 CO 0.00 0.04 0.56 -0.76 -0.87 0.00 0.00 176.83 175.80 1nxm s LEU 164 N -4.98 4.48 -1.41 5.97 1.43 -0.97 -4.88 118.68 118.32 1nxm s LEU 164 Ca 0.04 2.35 -0.08 0.00 -1.03 0.00 0.00 54.13 55.41 1nxm s LEU 164 Cb 0.11 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.77 1nxm s LEU 164 CO 0.73 -0.35 2.46 -0.67 0.23 0.00 0.00 176.35 178.75 1nxm n ASP 165 N 1.78 7.55 -4.10 2.29 2.03 -1.26 -4.78 116.55 120.05 1nxm n ASP 165 Ca 0.02 -2.97 -0.08 0.00 0.52 0.00 0.00 54.79 52.29 1nxm n ASP 165 Cb 0.44 -1.45 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 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 0.24 0.32 -0.04 5.18 -4.36 -1.26 -4.81 121.20 116.47 1nxm s ILE 166 Ca 0.56 -1.82 -0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1nxm s ILE 166 Cb 0.17 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.38 1nxm s ILE 166 CO -0.07 -0.96 0.01 -0.75 0.24 0.00 0.00 174.94 173.41 1nxm s LYS 167 N -3.85 0.28 0.29 0.37 2.47 -1.26 -5.07 119.74 112.97 1nxm s LYS 167 Ca 0.08 0.13 0.03 0.00 -1.56 0.00 0.00 55.97 54.65 1nxm s LYS 167 Cb 0.07 -0.57 -0.03 0.00 -1.46 0.00 0.00 37.83 35.84 1nxm s LYS 167 CO -0.09 -0.20 0.45 -1.58 0.16 0.00 0.00 175.35 174.10 1nxm s TRP 168 N 1.37 3.45 0.29 4.03 0.52 -1.26 -5.10 118.94 122.24 1nxm s TRP 168 Ca -0.05 0.13 -0.28 0.00 0.02 0.00 0.00 56.10 55.93 1nxm s TRP 168 Cb -0.13 -1.74 -0.09 0.00 -1.15 0.00 0.00 33.47 30.36 1nxm s TRP 168 CO -0.03 0.27 0.95 -1.21 0.02 0.00 0.00 176.95 176.96 1nxm s GLU 169 N -4.14 4.70 -1.42 4.98 0.41 -1.26 -4.62 118.70 117.35 1nxm s GLU 169 Ca 0.37 1.43 -0.13 0.00 -0.41 0.00 0.00 54.97 56.23 1nxm s GLU 169 Cb -0.09 -3.03 0.02 0.00 -1.78 0.00 0.00 34.13 29.25 1nxm s GLU 169 CO 0.32 0.38 0.27 0.09 -0.49 0.00 0.00 175.26 175.83 1nxm n ASN 170 N 0.99 -0.99 0.02 -0.19 5.03 -1.26 -4.76 115.26 114.10 1nxm n ASN 170 Ca 0.00 -1.28 0.17 0.00 0.87 0.00 0.00 54.58 54.34 1nxm n ASN 170 Cb 0.48 -1.67 0.64 0.00 -1.02 0.00 0.00 39.78 38.22 1nxm n ASN 170 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nxm h LEU 171 N -2.12 0.08 -1.63 3.41 3.38 -1.99 0.25 115.31 116.70 1nxm h LEU 171 Ca -0.68 0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.50 1nxm h LEU 171 Cb 1.40 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1nxm h LEU 171 CO 0.64 0.05 0.58 -0.33 0.09 0.00 0.00 178.44 179.46 1nxm h GLU 172 N 0.09 0.30 -0.39 1.13 3.07 -1.99 -2.24 114.58 114.55 1nxm h GLU 172 Ca 0.22 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1nxm h GLU 172 Cb 0.77 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1nxm h GLU 172 CO -0.02 0.20 0.00 0.39 -1.40 0.00 0.00 179.01 178.18 1nxm n GLU 173 N -4.46 2.43 -2.10 2.33 1.02 0.07 -5.00 120.64 114.93 1nxm n GLU 173 Ca 0.18 -2.10 -0.40 0.00 -0.02 0.00 0.00 57.16 54.81 1nxm n GLU 173 Cb 0.72 -1.38 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.09 3.45 -0.44 0.62 0.00 -0.85 -4.85 121.76 118.60 1nxm s ALA 174 Ca 0.30 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 1nxm s ALA 174 Cb 0.17 -3.48 0.10 0.00 0.00 0.00 0.00 23.12 19.90 1nxm s ALA 174 CO 0.23 -0.68 0.30 -2.00 0.00 0.00 0.00 175.76 173.61 1nxm s GLU 175 N -1.89 2.56 -0.03 0.00 2.12 -0.19 -4.98 118.70 116.29 1nxm s GLU 175 Ca 0.50 -1.59 0.07 0.00 0.36 0.00 0.00 54.97 54.32 1nxm s GLU 175 Cb -0.39 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.12 1nxm s GLU 175 CO 0.52 -1.06 -0.24 0.08 -0.54 0.00 0.00 175.26 174.02 1nxm s VAL 176 N 1.41 1.93 0.66 3.70 1.01 -1.26 -1.63 120.40 126.22 1nxm s VAL 176 Ca 0.04 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1nxm s VAL 176 Cb -0.24 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1nxm s VAL 176 CO 0.01 0.54 1.11 -0.94 0.00 0.00 0.00 175.10 175.82 1nxm s SER 177 N -0.40 5.09 0.23 3.32 1.04 -1.26 -4.87 113.70 116.86 1nxm s SER 177 Ca 0.04 1.98 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 1nxm s SER 177 Cb -0.11 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.80 1nxm s SER 177 CO 0.01 -1.64 1.82 -0.08 0.98 0.00 0.00 173.24 174.32 1nxm h GLU 178 N -0.05 0.76 -0.39 4.02 4.81 -2.00 -0.82 114.58 120.92 1nxm h GLU 178 Ca -0.46 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1nxm h GLU 178 Cb 1.24 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1nxm h GLU 178 CO 0.54 0.50 0.25 0.00 -0.73 0.00 0.00 179.01 179.58 1nxm h ALA 179 N 1.41 0.49 -0.09 2.92 0.00 -1.98 -2.36 119.26 119.66 1nxm h ALA 179 Ca 0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1nxm h ALA 179 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nxm h ALA 179 CO -0.22 -0.06 -0.32 -0.44 0.00 0.00 0.00 179.25 178.21 1nxm h ASP 180 N 0.51 0.17 0.31 0.00 3.32 -1.73 -2.34 116.42 116.66 1nxm h ASP 180 Ca 0.14 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1nxm h ASP 180 Cb -0.05 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1nxm h ASP 180 CO -0.04 0.49 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.51 1nxm h GLU 181 N 0.15 0.00 -0.44 3.56 4.39 -0.65 -3.15 114.58 118.44 1nxm h GLU 181 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1nxm h GLU 181 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1nxm h GLU 181 CO 0.05 0.13 0.00 0.09 -1.16 0.00 0.00 179.01 178.11 1nxm n ASN 182 N -3.79 3.17 -4.73 1.42 3.02 -0.89 -5.00 115.26 108.46 1nxm n ASN 182 Ca -0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.20 1nxm n ASN 182 Cb 0.23 -0.29 0.08 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.01 2.11 0.67 3.10 3.76 -1.12 -4.95 115.29 117.86 1nxm s HIS 183 Ca 0.30 1.57 -0.15 0.00 -0.15 0.00 0.00 55.06 56.63 1nxm s HIS 183 Cb 0.16 -3.50 0.01 0.00 1.11 0.00 0.00 32.58 30.35 1nxm s HIS 183 CO 0.21 -2.58 1.12 -1.25 -0.85 0.00 0.00 174.74 171.38 1nxm s PRO 184 N -3.76 2.69 0.46 8.40 0.04 -1.26 -4.17 135.00 137.40 1nxm s PRO 184 Ca 0.76 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 1nxm s PRO 184 Cb -0.30 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1nxm s PRO 184 CO 0.43 -1.34 1.00 -0.06 0.04 0.00 0.00 177.00 177.07 1nxm s PHE 185 N -2.34 3.14 0.28 0.56 0.40 -1.26 -1.66 117.98 117.10 1nxm s PHE 185 Ca 0.67 1.59 0.01 0.00 -0.60 0.00 0.00 56.93 58.60 1nxm s PHE 185 Cb -0.21 -2.97 0.64 0.00 0.51 0.00 0.00 43.02 40.99 1nxm s PHE 185 CO 0.43 -0.51 1.70 1.25 0.70 0.00 0.00 175.22 178.79 1nxm h LEU 186 N 1.70 0.29 -2.28 -0.37 5.85 -1.93 0.49 115.31 119.05 1nxm h LEU 186 Ca -0.49 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1nxm h LEU 186 Cb 1.20 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1nxm h LEU 186 CO 0.60 0.02 0.00 0.07 -0.34 0.00 0.00 178.44 178.79 1nxm h LYS 187 N 0.40 0.00 -0.01 1.25 5.09 -2.02 -1.73 116.57 119.55 1nxm h LYS 187 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.25 1nxm h LYS 187 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.25 1nxm h LYS 187 CO -0.50 0.00 -0.48 -0.25 -2.09 0.00 0.00 179.45 176.13 1nxm n ASP 188 N -3.03 1.07 -4.68 7.07 10.43 0.17 -4.91 116.55 122.66 1nxm n ASP 188 Ca -0.01 -0.85 -0.42 0.00 2.57 0.00 0.00 54.79 56.07 1nxm n ASP 188 Cb 0.16 0.36 -0.03 0.00 1.84 0.00 0.00 41.12 43.46 1nxm n ASP 188 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1nxm s VAL 189 N -2.71 3.90 -0.29 2.53 1.01 -0.65 -4.95 120.40 119.24 1nxm s VAL 189 Ca 0.17 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1nxm s VAL 189 Cb 0.18 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1nxm s VAL 189 CO 0.63 -0.02 1.54 -0.75 0.00 0.00 0.00 175.10 176.50 1nxm s LYS 190 N 2.62 3.71 0.39 2.72 2.20 -1.26 -5.01 119.74 125.10 1nxm s LYS 190 Ca 0.61 1.40 -0.26 0.00 -0.36 0.00 0.00 55.97 57.36 1nxm s LYS 190 Cb -0.29 -4.03 -0.11 0.00 -1.51 0.00 0.00 37.83 31.90 1nxm s LYS 190 CO 0.24 -1.40 1.25 -2.30 -0.36 0.00 0.00 175.35 172.79 1nxm n PRO 191 N 7.79 1.95 -2.82 4.03 -0.02 -1.26 -4.92 135.00 139.75 1nxm n PRO 191 Ca 0.18 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1nxm n PRO 191 Cb 0.46 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.27 4.27 0.27 2.45 1.43 -0.73 -4.68 118.68 120.43 1nxm s LEU 192 Ca 0.59 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 1nxm s LEU 192 Cb -0.54 -3.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.20 1nxm s LEU 192 CO 0.60 -0.32 0.98 -0.13 0.23 0.00 0.00 176.35 177.71 1nxm s ARG 193 N 1.55 4.74 0.35 1.70 0.52 -1.26 -1.03 118.95 125.51 1nxm s ARG 193 Ca 0.45 1.53 0.04 0.00 -0.52 0.00 0.00 55.73 57.23 1nxm s ARG 193 Cb -0.18 -3.15 0.65 0.00 0.52 0.00 0.00 34.95 32.78 1nxm s ARG 193 CO 0.19 0.38 1.94 0.87 0.02 0.00 0.00 175.30 178.70 1nxm h LYS 194 N 3.84 0.62 0.00 3.54 1.57 -1.96 -1.24 116.57 122.95 1nxm h LYS 194 Ca -0.46 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1nxm h LYS 194 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1nxm h LYS 194 CO 0.67 0.53 0.00 1.05 -0.57 0.00 0.00 179.45 181.13 1nxm h GLU 195 N 0.62 0.00 0.00 3.15 9.09 -2.01 -2.87 114.58 122.57 1nxm h GLU 195 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 1nxm h GLU 195 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1nxm h GLU 195 CO -0.01 0.00 -0.72 -0.44 0.05 0.00 0.00 179.01 177.88 1nxm h ASP 196 N 0.00 0.00 0.00 3.06 5.19 -1.61 -3.55 116.42 119.51 1nxm h ASP 196 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1nxm h ASP 196 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1nxm h ASP 196 CO 0.00 0.03 0.00 0.18 -3.12 0.00 0.00 179.24 176.33