#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ila s PHE 13 N 0.00 2.71 0.09 1.08 0.08 -1.26 -0.81 117.98 119.87 3ila s PHE 13 Ca 0.00 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 3ila s PHE 13 Cb 0.00 -1.39 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 3ila s PHE 13 CO 0.00 0.45 1.03 -0.51 -0.10 0.00 0.00 175.22 176.08 3ila s LEU 14 N -2.39 4.45 0.26 -0.37 1.43 -0.89 -4.82 118.68 116.34 3ila s LEU 14 Ca 0.22 1.85 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 3ila s LEU 14 Cb -0.10 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 3ila s LEU 14 CO 0.14 -0.20 -0.06 -0.13 0.23 0.00 0.00 176.35 176.33 3ila s ARG 15 N 0.32 1.46 0.66 1.70 1.81 -1.26 -1.31 118.95 122.33 3ila s ARG 15 Ca 0.50 -1.73 -0.17 0.00 -1.72 0.00 0.00 55.73 52.62 3ila s ARG 15 Cb -0.25 -1.02 0.00 0.00 -0.45 0.00 0.00 34.95 33.24 3ila s ARG 15 CO 0.30 0.03 1.20 0.95 -0.68 0.00 0.00 175.30 177.10 3ila s THR 16 N -3.10 2.52 0.00 0.02 -4.23 -0.03 -2.90 115.64 107.91 3ila s THR 16 Ca 0.28 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 3ila s THR 16 Cb 0.04 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ila s THR 16 CO 0.10 -0.11 0.00 0.47 -0.54 0.00 0.00 174.62 174.54 3ila n ASP 17 N -2.19 -3.24 -4.75 3.99 9.92 0.32 -4.52 116.55 116.07 3ila n ASP 17 Ca 0.13 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.99 3ila n ASP 17 Cb 0.50 -1.62 -0.06 0.00 -0.64 0.00 0.00 41.12 39.31 3ila n ASP 17 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3ila s ASP 18 N -2.14 7.52 -0.15 -2.24 1.01 -1.14 -4.86 116.67 114.66 3ila s ASP 18 Ca 0.00 1.80 -0.22 0.00 0.71 0.00 0.00 52.55 54.84 3ila s ASP 18 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3ila s ASP 18 CO 0.00 0.10 0.66 -1.61 0.21 0.00 0.00 175.17 174.53 3ila s GLU 19 N -0.77 4.30 0.12 8.23 2.02 -1.26 -2.56 118.70 128.77 3ila s GLU 19 Ca 0.41 0.73 0.01 0.00 0.02 0.00 0.00 54.97 56.14 3ila s GLU 19 Cb -0.24 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 3ila s GLU 19 CO 0.29 -0.13 -0.03 0.14 0.02 0.00 0.00 175.26 175.56 3ila s VAL 20 N 1.50 0.54 -0.03 2.63 -7.23 0.14 0.16 120.40 118.12 3ila s VAL 20 Ca 0.32 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3ila s VAL 20 Cb -0.16 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 3ila s VAL 20 CO 0.13 -0.73 -0.20 0.68 -0.31 0.00 0.00 175.10 174.67 3ila s VAL 21 N -3.73 1.60 -0.28 1.32 -7.23 0.54 0.17 120.40 112.79 3ila s VAL 21 Ca 0.16 -0.84 -0.20 0.00 -1.81 0.00 0.00 61.98 59.29 3ila s VAL 21 Cb 0.06 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3ila s VAL 21 CO -0.02 0.45 0.61 -0.76 -0.31 0.00 0.00 175.10 175.07 3ila s LEU 22 N -0.22 4.10 0.08 1.32 1.02 -1.26 -0.46 118.68 123.26 3ila s LEU 22 Ca 0.01 0.53 0.10 0.00 0.02 0.00 0.00 54.13 54.79 3ila s LEU 22 Cb -0.10 -2.79 -0.03 0.00 0.02 0.00 0.00 46.19 43.28 3ila s LEU 22 CO 0.01 -0.41 -0.26 -1.10 0.02 0.00 0.00 176.35 174.62 3ila s GLN 23 N 2.51 1.55 0.01 1.70 -0.21 -0.19 -1.64 119.66 123.41 3ila s GLN 23 Ca 0.25 -1.18 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 3ila s GLN 23 Cb -0.15 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 31.99 3ila s GLN 23 CO 0.10 0.46 0.01 0.00 -2.12 0.00 0.00 175.29 173.75 3ila s SER 25 N -1.39 6.50 -0.01 0.00 0.01 -1.26 -1.38 113.70 116.17 3ila s SER 25 Ca -0.15 0.59 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 3ila s SER 25 Cb -0.09 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 63.98 3ila s SER 25 CO -0.00 0.14 0.40 0.00 0.41 0.00 0.00 173.24 174.19 3ila s ALA 26 N 0.17 -1.02 -0.18 1.44 0.00 -0.33 -4.99 121.76 116.86 3ila s ALA 26 Ca 0.18 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 3ila s ALA 26 Cb -0.14 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3ila s ALA 26 CO 0.06 -0.31 0.13 0.95 0.00 0.00 0.00 175.76 176.59 3ila s THR 27 N -1.48 5.42 -0.38 0.00 -4.23 -1.26 0.07 115.64 113.79 3ila s THR 27 Ca -0.12 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 3ila s THR 27 Cb -0.03 -3.45 0.39 0.00 1.34 0.00 0.00 72.50 70.75 3ila s THR 27 CO 0.04 0.49 1.08 1.33 -0.54 0.00 0.00 174.62 177.03 3ila n VAL 28 N 3.12 0.26 -5.19 2.29 0.24 -1.26 -4.85 118.33 112.94 3ila n VAL 28 Ca -0.17 -2.48 -0.31 0.00 -2.04 0.00 0.00 64.34 59.34 3ila n VAL 28 Cb 0.53 0.79 -0.16 0.00 -1.47 0.00 0.00 33.84 33.52 3ila n VAL 28 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ila s LYS 30 N -1.20 2.51 0.07 7.34 1.02 -1.26 -5.07 119.74 123.15 3ila s LYS 30 Ca 0.27 -0.85 0.09 0.00 0.02 0.00 0.00 55.97 55.49 3ila s LYS 30 Cb 0.39 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 3ila s LYS 30 CO -0.04 0.32 -0.24 -2.00 -0.92 0.00 0.00 175.35 172.47 3ila s GLU 31 N -0.04 1.49 -0.44 1.68 2.12 -1.26 -5.09 118.70 117.16 3ila s GLU 31 Ca -0.06 -1.12 -0.28 0.00 0.36 0.00 0.00 54.97 53.86 3ila s GLU 31 Cb -0.14 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.51 3ila s GLU 31 CO 0.04 0.43 1.49 1.14 -0.54 0.00 0.00 175.26 177.83 3ila s GLN 32 N -1.50 3.44 0.12 4.30 1.03 -1.26 -4.06 119.66 121.72 3ila s GLN 32 Ca 0.10 0.90 0.08 0.00 0.04 0.00 0.00 55.36 56.48 3ila s GLN 32 Cb -0.10 -4.09 -0.04 0.00 0.03 0.00 0.00 33.01 28.81 3ila s GLN 32 CO 0.03 -1.74 -0.11 -0.51 -2.54 0.00 0.00 175.29 170.42 3ila s LEU 33 N 5.95 2.98 -0.22 2.60 1.43 0.11 -4.96 118.68 126.57 3ila s LEU 33 Ca 0.63 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3ila s LEU 33 Cb -0.14 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3ila s LEU 33 CO 0.31 0.16 -0.05 -1.59 0.23 0.00 0.00 176.35 175.41 3ila s LYS 34 N -2.34 3.33 -0.09 1.70 0.00 -1.26 -1.19 119.74 119.90 3ila s LYS 34 Ca 0.22 -0.65 0.04 0.00 0.00 0.00 0.00 55.97 55.57 3ila s LYS 34 Cb -0.11 -3.00 -0.01 0.00 0.00 0.00 0.00 37.83 34.71 3ila s LYS 34 CO 0.14 -0.21 -0.20 -0.51 0.00 0.00 0.00 175.35 174.56 3ila s LEU 35 N 1.47 2.36 -0.01 2.77 1.43 -0.48 -2.00 118.68 124.22 3ila s LEU 35 Ca 0.05 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 3ila s LEU 35 Cb -0.14 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3ila s LEU 35 CO -0.04 0.22 -0.15 0.00 0.23 0.00 0.00 176.35 176.61 3ila s LEU 37 N -1.04 4.32 0.18 0.00 2.96 -0.65 -1.49 118.68 122.96 3ila s LEU 37 Ca 0.13 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 56.36 3ila s LEU 37 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3ila s LEU 37 CO 0.03 -0.88 -0.19 0.00 -1.32 0.00 0.00 176.35 173.99 3ila s ALA 38 N 3.53 2.13 0.25 5.97 0.00 0.15 -4.46 121.76 129.34 3ila s ALA 38 Ca 0.71 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 3ila s ALA 38 Cb -0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3ila s ALA 38 CO 0.29 0.26 0.51 0.00 0.00 0.00 0.00 175.76 176.82 3ila s ALA 39 N -2.07 -0.37 -0.09 0.00 0.00 -1.03 -1.41 121.76 116.79 3ila s ALA 39 Ca 0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 3ila s ALA 39 Cb -0.06 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.13 3ila s ALA 39 CO 0.08 -0.88 0.35 -1.21 0.00 0.00 0.00 175.76 174.09 3ila s GLU 40 N -3.98 0.50 0.15 0.00 2.02 -1.26 -4.84 118.70 111.30 3ila s GLU 40 Ca 0.21 0.27 0.24 0.00 0.02 0.00 0.00 54.97 55.72 3ila s GLU 40 Cb -0.01 0.24 0.41 0.00 0.10 0.00 0.00 34.13 34.86 3ila s GLU 40 CO 0.09 -0.10 1.40 0.78 0.02 0.00 0.00 175.26 177.45 3ila h GLY 41 N 5.01 0.00 -0.16 -1.39 0.00 -1.94 -3.28 103.07 101.31 3ila h GLY 41 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3ila h GLY 41 CO 0.32 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.83 3ila n PHE 42 N -2.22 0.00 0.00 5.60 1.16 -1.26 -5.14 117.46 115.61 3ila n PHE 42 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 3ila n PHE 42 Cb 0.45 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.31 3ila n PHE 42 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3ila n ARG 45 N -0.39 0.00 -2.20 3.97 -4.01 -1.24 -5.22 116.66 107.57 3ila n ARG 45 Ca 0.00 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.44 3ila n ARG 45 Cb 0.02 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.44 3ila n ARG 45 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3ila s LEU 46 N 0.00 4.01 0.17 2.89 0.20 -1.26 -1.47 118.68 123.22 3ila s LEU 46 Ca 0.00 2.37 -0.20 0.00 0.69 0.00 0.00 54.13 56.99 3ila s LEU 46 Cb 0.00 -4.22 -0.08 0.00 -0.43 0.00 0.00 46.19 41.47 3ila s LEU 46 CO 0.00 -0.97 0.68 0.00 -0.29 0.00 0.00 176.35 175.77 3ila s PHE 48 N -1.33 1.75 0.03 0.00 -0.12 -0.50 -4.12 117.98 113.70 3ila s PHE 48 Ca 0.37 -1.06 0.09 0.00 -0.05 0.00 0.00 56.93 56.28 3ila s PHE 48 Cb -0.19 -1.52 -0.03 0.00 -0.63 0.00 0.00 43.02 40.66 3ila s PHE 48 CO 0.22 0.11 -0.26 -0.51 -0.05 0.00 0.00 175.22 174.73 3ila s LEU 49 N -3.87 2.15 -0.12 -1.99 1.43 -1.21 -0.67 118.68 114.40 3ila s LEU 49 Ca 0.03 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3ila s LEU 49 Cb 0.00 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.97 3ila s LEU 49 CO 0.02 0.26 -0.13 -1.83 0.23 0.00 0.00 176.35 174.90 3ila s GLU 50 N -1.13 2.07 0.63 1.70 1.03 -0.55 -4.93 118.70 117.51 3ila s GLU 50 Ca 0.11 -0.49 -0.17 0.00 0.03 0.00 0.00 54.97 54.45 3ila s GLU 50 Cb -0.10 -1.85 -0.02 0.00 -0.80 0.00 0.00 34.13 31.37 3ila s GLU 50 CO 0.02 -0.13 1.13 -2.14 -1.33 0.00 0.00 175.26 172.80 3ila s PRO 51 N 1.21 2.93 0.20 -4.83 0.02 -1.26 -1.49 135.00 131.78 3ila s PRO 51 Ca -0.02 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.21 3ila s PRO 51 Cb -0.14 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 3ila s PRO 51 CO -0.05 -1.17 1.05 0.95 -0.33 0.00 0.00 177.00 177.46 3ila s THR 52 N -2.10 3.89 -0.06 0.99 -4.23 -0.84 -4.39 115.64 108.90 3ila s THR 52 Ca 0.70 1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 62.92 3ila s THR 52 Cb -0.23 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 3ila s THR 52 CO 0.37 0.34 0.03 -2.16 -0.54 0.00 0.00 174.62 172.66 3ila s PRO 59 N -0.72 3.02 0.48 3.99 0.04 -1.26 -4.98 135.00 135.57 3ila s PRO 59 Ca 0.46 -0.42 0.15 0.00 0.04 0.00 0.00 61.00 61.23 3ila s PRO 59 Cb -0.29 -2.83 1.11 0.00 0.04 0.00 0.00 34.50 32.53 3ila s PRO 59 CO 0.35 0.69 2.06 -1.35 0.04 0.00 0.00 177.00 178.79 3ila h PRO 60 N 4.79 0.01 -2.68 0.56 0.11 -1.94 -3.38 132.00 129.46 3ila h PRO 60 Ca -0.51 -0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.15 3ila h PRO 60 Cb 1.19 -0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.92 3ila h PRO 60 CO 0.57 0.11 -0.72 0.16 -0.21 0.00 0.00 178.00 177.90 3ila s ASP 61 N -7.03 2.65 0.41 -2.05 1.47 -1.26 -5.02 116.67 105.84 3ila s ASP 61 Ca -0.04 -0.91 0.23 0.00 1.18 0.00 0.00 52.55 53.00 3ila s ASP 61 Cb 0.16 -0.06 0.58 0.00 -0.34 0.00 0.00 42.92 43.26 3ila s ASP 61 CO 0.69 -0.40 1.68 -0.07 0.68 0.00 0.00 175.17 177.75 3ila h LEU 62 N 8.37 0.00 -1.30 2.11 -0.00 -2.00 -3.31 115.31 119.18 3ila h LEU 62 Ca -0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.65 3ila h LEU 62 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 3ila h LEU 62 CO 0.37 0.20 -0.17 0.00 -0.00 0.00 0.00 178.44 178.84 3ila h ALA 63 N 1.80 1.42 -0.00 1.53 0.00 -1.97 -1.95 119.26 120.09 3ila h ALA 63 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ila h ALA 63 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ila h ALA 63 CO 0.03 0.40 -0.38 0.44 0.00 0.00 0.00 179.25 179.74 3ila n ILE 64 N -4.23 0.00 0.32 0.00 -6.64 -1.24 -4.06 119.36 103.51 3ila n ILE 64 Ca -0.01 -0.07 0.08 0.00 -1.77 0.00 0.00 62.75 60.98 3ila n ILE 64 Cb 0.31 0.36 -0.12 0.00 -1.44 0.00 0.00 39.64 38.75 3ila n ILE 64 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3ila s PHE 67 N 1.64 2.23 -0.14 0.00 0.08 0.13 -2.76 117.98 119.15 3ila s PHE 67 Ca 0.63 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.29 3ila s PHE 67 Cb -0.33 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 3ila s PHE 67 CO 0.28 0.21 -0.17 0.95 -0.10 0.00 0.00 175.22 176.40 3ila s THR 68 N -0.93 2.63 -0.78 0.64 -4.23 0.89 0.28 115.64 114.14 3ila s THR 68 Ca 0.12 -0.80 -0.26 0.00 -1.18 0.00 0.00 61.69 59.58 3ila s THR 68 Cb -0.10 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 3ila s THR 68 CO 0.04 0.53 1.66 -0.76 -0.54 0.00 0.00 174.62 175.54 3ila s LEU 69 N 0.62 3.26 -0.08 4.79 1.43 -1.06 -0.48 118.68 127.17 3ila s LEU 69 Ca -0.09 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 3ila s LEU 69 Cb -0.16 -2.55 -0.18 0.00 0.03 0.00 0.00 46.19 43.33 3ila s LEU 69 CO 0.03 -2.17 0.81 -0.08 0.23 0.00 0.00 176.35 175.17 3ila h GLU 70 N 11.99 -0.08 -4.60 1.70 4.81 -1.53 0.91 114.58 127.78 3ila h GLU 70 Ca -0.11 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.90 3ila h GLU 70 Cb 1.07 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 3ila h GLU 70 CO 1.27 0.52 -0.70 -0.65 -0.73 0.00 0.00 179.01 178.71 3ila s GLN 71 N -2.94 0.74 -0.45 1.92 -0.21 -1.24 -4.57 119.66 112.91 3ila s GLN 71 Ca -0.14 -1.18 0.05 0.00 0.02 0.00 0.00 55.36 54.11 3ila s GLN 71 Cb -0.01 -0.20 0.18 0.00 1.00 0.00 0.00 33.01 33.99 3ila s GLN 71 CO 0.54 -0.01 0.49 0.45 -2.12 0.00 0.00 175.29 174.64 3ila n SER 72 N 0.34 -1.46 -4.87 5.90 2.88 -1.26 -0.96 113.62 114.19 3ila n SER 72 Ca -0.15 -2.59 -0.36 0.00 -1.33 0.00 0.00 58.87 54.45 3ila n SER 72 Cb 0.59 0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 64.24 3ila n SER 72 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ila s LEU 73 N 0.22 4.39 0.61 2.46 1.43 -0.88 -4.85 118.68 122.06 3ila s LEU 73 Ca 0.32 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.87 3ila s LEU 73 Cb 0.04 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3ila s LEU 73 CO -0.15 0.29 1.14 -0.94 0.23 0.00 0.00 176.35 176.92 3ila s SER 74 N -1.48 5.26 0.29 2.29 1.04 -1.26 -1.25 113.70 118.59 3ila s SER 74 Ca 0.25 2.17 0.03 0.00 0.48 0.00 0.00 55.95 58.88 3ila s SER 74 Cb -0.14 -2.57 0.69 0.00 0.10 0.00 0.00 66.02 64.10 3ila s SER 74 CO 0.13 -1.53 1.71 0.58 0.98 0.00 0.00 173.24 175.11 3ila h VAL 75 N 0.58 0.51 -0.34 5.02 2.07 -1.93 0.49 116.25 122.66 3ila h VAL 75 Ca -0.49 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ila h VAL 75 Cb 1.27 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3ila h VAL 75 CO 0.55 0.08 0.19 -0.09 0.02 0.00 0.00 177.57 178.32 3ila h ARG 76 N 0.43 0.48 0.00 1.57 9.65 -1.97 -1.55 114.38 122.99 3ila h ARG 76 Ca 0.54 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 59.27 3ila h ARG 76 Cb 0.99 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3ila h ARG 76 CO -0.50 0.40 -0.46 0.00 2.80 0.00 0.00 179.97 182.20 3ila h ALA 77 N 1.06 1.15 -0.23 2.80 0.00 -1.11 -2.37 119.26 120.55 3ila h ALA 77 Ca 0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3ila h ALA 77 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ila h ALA 77 CO -0.02 0.57 -0.10 1.25 0.00 0.00 0.00 179.25 180.95 3ila h LEU 78 N 0.00 0.49 -0.83 0.00 5.85 0.08 -1.01 115.31 119.89 3ila h LEU 78 Ca -0.00 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 3ila h LEU 78 Cb 0.86 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3ila h LEU 78 CO 0.06 0.78 0.41 1.56 -0.34 0.00 0.00 178.44 180.91 3ila h GLN 79 N 0.19 1.18 -0.15 1.25 4.20 -1.21 -0.55 115.11 120.02 3ila h GLN 79 Ca 0.05 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3ila h GLN 79 Cb 0.60 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3ila h GLN 79 CO 0.03 0.90 -0.28 1.49 -0.67 0.00 0.00 178.83 180.31 3ila h GLU 80 N 1.17 0.27 -0.07 1.46 4.22 -1.38 -0.99 114.58 119.26 3ila h GLU 80 Ca 0.28 -0.10 -0.21 0.00 0.08 0.00 0.00 59.36 59.41 3ila h GLU 80 Cb 0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ila h GLU 80 CO -0.04 0.54 -0.83 1.98 -2.18 0.00 0.00 179.01 178.48 3ila h MET 81 N 0.24 0.54 0.00 1.92 4.05 -0.76 -3.19 114.93 117.74 3ila h MET 81 Ca 0.04 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3ila h MET 81 Cb 0.63 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 3ila h MET 81 CO 0.05 1.12 0.00 -0.07 0.23 0.00 0.00 176.91 178.23 3ila h LEU 82 N 0.35 0.00 -0.78 3.39 3.38 -0.89 -3.51 115.31 117.25 3ila h LEU 82 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3ila h LEU 82 Cb 1.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 3ila h LEU 82 CO 0.15 0.00 -0.58 0.00 0.09 0.00 0.00 178.44 178.10 3ila h ALA 83 N 2.18 0.97 0.00 1.53 0.00 -1.17 -3.51 119.26 119.26 3ila h ALA 83 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3ila h ALA 83 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ila h ALA 83 CO 0.00 0.72 0.54 0.72 0.00 0.00 0.00 179.25 181.23 3ila n HIS 98 N -3.74 0.01 -2.55 0.00 -0.00 -1.26 -5.11 115.22 102.56 3ila n HIS 98 Ca -0.01 -0.10 -0.40 0.00 -0.00 0.00 0.00 57.72 57.21 3ila n HIS 98 Cb 0.60 -0.46 -0.05 0.00 -0.00 0.00 0.00 29.99 30.09 3ila n HIS 98 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3ila s ARG 99 N 3.16 4.68 0.23 -0.41 1.04 -1.26 -4.57 118.95 121.82 3ila s ARG 99 Ca 0.02 1.71 -0.30 0.00 -1.04 0.00 0.00 55.73 56.12 3ila s ARG 99 Cb 0.01 -3.23 -0.09 0.00 -2.04 0.00 0.00 34.95 29.60 3ila s ARG 99 CO -0.00 0.25 1.20 0.99 -0.04 0.00 0.00 175.30 177.70 3ila s THR 100 N -0.94 3.40 0.06 4.99 2.01 -1.26 -0.85 115.64 123.04 3ila s THR 100 Ca 0.45 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.39 3ila s THR 100 Cb -0.30 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3ila s THR 100 CO 0.38 0.23 1.12 -0.76 -0.69 0.00 0.00 174.62 174.90 3ila s LEU 101 N -0.68 4.39 0.12 4.42 1.02 -0.43 -4.93 118.68 122.59 3ila s LEU 101 Ca 0.51 1.92 0.11 0.00 0.02 0.00 0.00 54.13 56.68 3ila s LEU 101 Cb -0.34 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.25 3ila s LEU 101 CO 0.40 -0.37 -0.26 -0.76 0.02 0.00 0.00 176.35 175.37 3ila s LEU 102 N 0.87 2.32 0.19 1.79 1.43 -1.26 -0.80 118.68 123.22 3ila s LEU 102 Ca 0.55 -0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 3ila s LEU 102 Cb -0.27 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 3ila s LEU 102 CO 0.29 0.19 1.52 -0.31 0.23 0.00 0.00 176.35 178.28 3ila s TYR 103 N -1.03 3.04 0.00 0.29 2.02 0.43 -2.72 117.35 119.38 3ila s TYR 103 Ca 0.14 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 3ila s TYR 103 Cb -0.10 -3.89 0.00 0.00 -0.40 0.00 0.00 41.96 37.57 3ila s TYR 103 CO 0.06 -3.15 0.00 0.41 -1.57 0.00 0.00 175.55 171.30 3ila n GLY 104 N 3.20 2.22 3.79 0.71 0.00 -0.28 -0.61 105.19 114.22 3ila n GLY 104 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3ila n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ila s HIS 105 N -2.26 2.85 -0.21 1.61 3.76 -1.10 -4.53 115.29 115.41 3ila s HIS 105 Ca 0.00 1.50 -0.09 0.00 -0.15 0.00 0.00 55.06 56.32 3ila s HIS 105 Cb 0.00 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 3ila s HIS 105 CO 0.00 -1.45 0.11 0.00 -0.85 0.00 0.00 174.74 172.55 3ila s ALA 106 N -2.77 3.51 0.08 -1.40 0.00 -0.38 -1.22 121.76 119.58 3ila s ALA 106 Ca 0.62 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.80 3ila s ALA 106 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3ila s ALA 106 CO 0.49 0.02 0.11 0.96 0.00 0.00 0.00 175.76 177.35 3ila s ILE 107 N 0.64 4.72 -0.31 0.00 -4.36 0.46 -2.06 121.20 120.29 3ila s ILE 107 Ca 0.06 -0.71 -0.06 0.00 -0.26 0.00 0.00 60.65 59.67 3ila s ILE 107 Cb -0.13 -3.29 0.02 0.00 1.25 0.00 0.00 42.46 40.32 3ila s ILE 107 CO 0.01 0.11 0.08 -0.22 0.24 0.00 0.00 174.94 175.17 3ila s LEU 108 N -2.47 4.00 -0.33 0.37 2.96 -0.14 -2.12 118.68 120.95 3ila s LEU 108 Ca 0.31 -0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 53.20 3ila s LEU 108 Cb -0.12 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3ila s LEU 108 CO 0.23 -0.24 0.29 -0.76 -1.32 0.00 0.00 176.35 174.55 3ila s LEU 109 N 1.45 4.40 -0.27 -0.68 1.43 -1.26 -1.25 118.68 122.51 3ila s LEU 109 Ca 0.01 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3ila s LEU 109 Cb -0.18 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3ila s LEU 109 CO 0.02 -0.25 0.13 -0.60 0.23 0.00 0.00 176.35 175.89 3ila s ARG 110 N 1.86 3.75 -0.26 1.70 3.52 0.37 -1.95 118.95 127.95 3ila s ARG 110 Ca 0.09 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 3ila s ARG 110 Cb -0.17 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3ila s ARG 110 CO 0.11 -0.21 1.78 -1.58 -0.81 0.00 0.00 175.30 174.59 3ila s HIS 111 N 1.68 1.83 0.23 5.12 5.65 0.20 -0.08 115.29 129.93 3ila s HIS 111 Ca 0.07 0.52 -0.08 0.00 0.25 0.00 0.00 55.06 55.82 3ila s HIS 111 Cb -0.16 -4.06 0.21 0.00 -1.18 0.00 0.00 32.58 27.39 3ila s HIS 111 CO 0.07 -3.21 1.90 0.00 -0.65 0.00 0.00 174.74 172.86 3ila h ALA 112 N 12.12 1.14 -0.04 1.58 0.00 -1.80 0.85 119.26 133.10 3ila h ALA 112 Ca -0.35 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 3ila h ALA 112 Cb 1.17 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ila h ALA 112 CO 1.01 0.56 -0.89 1.25 0.00 0.00 0.00 179.25 181.17 3ila h HIS 113 N 1.22 0.76 0.00 0.00 -0.00 -1.82 -3.27 115.15 112.04 3ila h HIS 113 Ca 0.33 -0.38 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 3ila h HIS 113 Cb -0.12 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 3ila h HIS 113 CO -0.01 1.20 -1.00 0.43 -0.00 0.00 0.00 177.93 178.55 3ila n SER 114 N -3.82 0.64 -1.95 3.26 7.64 -1.18 -4.96 113.62 113.25 3ila n SER 114 Ca -0.07 -0.37 -0.21 0.00 1.01 0.00 0.00 58.87 59.23 3ila n SER 114 Cb 0.80 0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 64.78 3ila n SER 114 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ila n ARG 115 N -1.82 -1.56 -3.84 1.43 5.12 0.28 -4.99 116.66 111.28 3ila n ARG 115 Ca 0.03 1.14 -0.26 0.00 -1.93 0.00 0.00 57.85 56.82 3ila n ARG 115 Cb 0.41 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.06 3ila n ARG 115 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3ila s MET 116 N -4.33 2.23 0.03 5.56 -1.94 -1.16 -4.89 119.30 114.81 3ila s MET 116 Ca 0.00 -2.04 0.08 0.00 -1.71 0.00 0.00 55.69 52.02 3ila s MET 116 Cb 0.00 -2.12 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 3ila s MET 116 CO 0.00 -0.70 -0.25 0.71 -0.01 0.00 0.00 175.02 174.77 3ila s TYR 117 N -2.80 2.18 -0.23 -0.03 2.02 0.33 0.62 117.35 119.44 3ila s TYR 117 Ca 0.34 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 3ila s TYR 117 Cb -0.03 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3ila s TYR 117 CO 0.22 0.08 1.49 -1.17 -1.57 0.00 0.00 175.55 174.60 3ila s LEU 118 N -1.06 3.95 0.10 -1.29 2.96 -0.82 -0.25 118.68 122.27 3ila s LEU 118 Ca 0.10 1.55 0.05 0.00 -0.22 0.00 0.00 54.13 55.62 3ila s LEU 118 Cb -0.10 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 3ila s LEU 118 CO 0.01 -1.13 -0.13 -0.94 -1.32 0.00 0.00 176.35 172.84 3ila s SER 119 N 3.51 1.80 -0.42 3.68 1.04 -0.50 -4.38 113.70 118.44 3ila s SER 119 Ca 0.65 -0.74 -0.24 0.00 0.48 0.00 0.00 55.95 56.10 3ila s SER 119 Cb -0.23 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 65.86 3ila s SER 119 CO 0.26 -0.14 0.84 0.00 0.98 0.00 0.00 173.24 175.18 3ila s LEU 121 N 3.38 3.20 0.23 0.00 1.43 -0.25 -4.85 118.68 121.82 3ila s LEU 121 Ca 0.33 1.57 0.15 0.00 -1.03 0.00 0.00 54.13 55.14 3ila s LEU 121 Cb -0.12 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.62 3ila s LEU 121 CO 0.21 -1.22 1.33 0.74 0.23 0.00 0.00 176.35 177.64 3ila h THR 122 N -0.48 0.87 -3.96 5.49 2.02 -1.96 -3.39 112.91 111.50 3ila h THR 122 Ca -0.44 -2.28 -0.46 0.00 0.77 0.00 0.00 66.41 64.01 3ila h THR 122 Cb 1.20 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 3ila h THR 122 CO 0.59 0.50 0.33 0.42 0.37 0.00 0.00 175.52 177.72 3ila s THR 123 N -2.94 4.34 -0.10 3.16 -4.23 -1.26 -4.91 115.64 109.70 3ila s THR 123 Ca 0.03 1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 62.07 3ila s THR 123 Cb 0.08 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 3ila s THR 123 CO 0.76 -0.12 0.14 -0.44 -0.54 0.00 0.00 174.62 174.43 3ila s SER 124 N -1.95 6.34 0.23 3.99 0.01 -1.26 -1.03 113.70 120.02 3ila s SER 124 Ca 0.57 0.43 -0.23 0.00 1.31 0.00 0.00 55.95 58.03 3ila s SER 124 Cb -0.13 -2.03 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 3ila s SER 124 CO 0.18 0.38 0.79 -0.36 0.41 0.00 0.00 173.24 174.63 3ila s PHE 133 N -1.09 3.73 0.54 2.43 0.08 -1.06 -5.18 117.98 117.43 3ila s PHE 133 Ca 0.17 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.60 3ila s PHE 133 Cb -0.12 -2.73 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 3ila s PHE 133 CO 0.07 0.36 1.02 -0.51 -0.10 0.00 0.00 175.22 176.06 3ila s ASP 134 N -1.50 6.22 -0.22 1.36 1.01 -0.20 -0.69 116.67 122.64 3ila s ASP 134 Ca 0.42 1.75 0.02 0.00 0.71 0.00 0.00 52.55 55.45 3ila s ASP 134 Cb -0.19 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.25 3ila s ASP 134 CO 0.23 -0.86 -0.15 -0.69 0.21 0.00 0.00 175.17 173.91 3ila s VAL 135 N -2.40 2.20 0.00 -1.27 1.01 -1.24 -1.09 120.40 117.60 3ila s VAL 135 Ca 0.63 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3ila s VAL 135 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3ila s VAL 135 CO 0.31 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ila n GLY 136 N 4.55 5.51 3.86 4.51 0.00 -1.00 -1.96 105.19 120.65 3ila n GLY 136 Ca -0.18 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3ila n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ila s LEU 137 N 0.00 4.23 -0.07 0.99 1.43 -0.54 -1.41 118.68 123.31 3ila s LEU 137 Ca 0.00 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3ila s LEU 137 Cb 0.00 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3ila s LEU 137 CO 0.00 0.32 -0.14 -1.58 0.23 0.00 0.00 176.35 175.18 3ila s GLN 138 N -1.51 1.94 0.38 1.70 0.74 0.65 -4.24 119.66 119.32 3ila s GLN 138 Ca 0.21 -0.50 0.18 0.00 0.05 0.00 0.00 55.36 55.30 3ila s GLN 138 Cb -0.12 -1.57 0.72 0.00 1.10 0.00 0.00 33.01 33.14 3ila s GLN 138 CO 0.11 0.06 1.76 1.05 -0.55 0.00 0.00 175.29 177.73 3ila h GLU 139 N 6.89 0.00 -5.55 1.67 4.11 -1.94 0.96 114.58 120.73 3ila h GLU 139 Ca -0.29 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.50 3ila h GLU 139 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 3ila h GLU 139 CO 0.47 0.37 -0.57 -0.51 0.07 0.00 0.00 179.01 178.85 3ila s ASP 140 N -6.50 5.65 0.00 3.06 1.01 -1.26 -4.85 116.67 113.78 3ila s ASP 140 Ca -0.01 0.17 0.27 0.00 0.71 0.00 0.00 52.55 53.70 3ila s ASP 140 Cb 0.12 -1.84 1.16 0.00 1.01 0.00 0.00 42.92 43.36 3ila s ASP 140 CO 0.69 0.28 1.80 0.00 0.21 0.00 0.00 175.17 178.15 3ila n ALA 141 N 2.83 2.59 -1.77 5.23 0.00 -1.26 -4.87 120.51 123.25 3ila n ALA 141 Ca -0.18 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.48 3ila n ALA 141 Cb 0.53 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 3ila n ALA 141 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ila s THR 142 N -1.97 3.98 0.00 0.00 -4.23 -1.26 -4.87 115.64 107.29 3ila s THR 142 Ca 0.39 1.74 0.00 0.00 -1.18 0.00 0.00 61.69 62.64 3ila s THR 142 Cb 0.20 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3ila s THR 142 CO 0.33 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 3ila n GLY 143 N 0.81 0.22 0.05 3.99 0.00 -1.26 -4.77 105.19 104.24 3ila n GLY 143 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3ila n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ila n GLU 144 N 0.84 0.76 0.15 1.61 -0.58 -1.26 -3.55 120.64 118.62 3ila n GLU 144 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 3ila n GLU 144 Cb 0.00 -1.04 0.20 0.00 -0.57 0.00 0.00 31.44 30.03 3ila n GLU 144 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ila h ALA 145 N 2.45 0.89 -0.56 0.62 0.00 -1.89 -3.11 119.26 117.67 3ila h ALA 145 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ila h ALA 145 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ila h ALA 145 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3ila s TRP 147 N -1.25 3.21 -0.09 0.00 0.52 -1.21 -4.36 118.94 115.77 3ila s TRP 147 Ca 0.40 0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.67 3ila s TRP 147 Cb 0.21 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.68 3ila s TRP 147 CO 0.28 0.39 -0.04 -1.58 0.02 0.00 0.00 176.95 176.01 3ila s TRP 148 N -0.53 1.11 0.37 -1.98 0.52 -0.90 -2.18 118.94 115.34 3ila s TRP 148 Ca 0.10 -0.47 -0.24 0.00 0.02 0.00 0.00 56.10 55.51 3ila s TRP 148 Cb -0.12 -1.02 -0.10 0.00 -1.15 0.00 0.00 33.47 31.08 3ila s TRP 148 CO 0.02 -0.41 0.95 0.95 0.02 0.00 0.00 176.95 178.48 3ila s THR 149 N 1.74 4.28 -0.16 2.01 -4.23 0.95 -0.41 115.64 119.82 3ila s THR 149 Ca 0.04 1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 62.15 3ila s THR 149 Cb -0.13 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 3ila s THR 149 CO -0.06 -0.05 0.09 -0.04 -0.54 0.00 0.00 174.62 174.02 3ila s MET 150 N -2.53 3.75 0.01 3.99 -1.94 -0.36 -0.65 119.30 121.57 3ila s MET 150 Ca 0.55 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 54.30 3ila s MET 150 Cb -0.15 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.48 3ila s MET 150 CO 0.19 0.48 -0.10 -1.01 -0.01 0.00 0.00 175.02 174.57 3ila s HIS 151 N -0.19 0.84 1.01 -0.03 3.76 0.95 -1.13 115.29 120.51 3ila s HIS 151 Ca 0.09 -0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.63 3ila s HIS 151 Cb -0.12 -0.52 0.20 0.00 1.11 0.00 0.00 32.58 33.25 3ila s HIS 151 CO 0.01 -0.01 1.08 -2.14 -0.85 0.00 0.00 174.74 172.82 3ila s PRO 152 N -0.65 0.29 -0.09 8.40 0.02 -1.26 -0.49 135.00 141.22 3ila s PRO 152 Ca 0.01 0.81 0.11 0.00 0.02 0.00 0.00 61.00 61.94 3ila s PRO 152 Cb -0.05 -1.70 -0.16 0.00 0.02 0.00 0.00 34.50 32.61 3ila s PRO 152 CO 0.00 -2.90 0.11 0.00 -0.33 0.00 0.00 177.00 173.88 3ila n ALA 153 N -4.34 1.93 -2.14 -1.55 0.00 -1.25 -4.52 120.51 108.65 3ila n ALA 153 Ca 0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.86 3ila n ALA 153 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 3ila n ALA 153 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ila n SER 154 N -2.28 0.02 -3.61 0.00 3.41 -1.26 -5.12 113.62 104.77 3ila n SER 154 Ca -0.14 -1.77 -0.16 0.00 -0.26 0.00 0.00 58.87 56.54 3ila n SER 154 Cb 0.72 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.47 3ila n SER 154 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ila s GLU 159 N 0.00 0.13 0.00 4.33 2.56 -1.26 -5.28 118.70 119.18 3ila s GLU 159 Ca 0.09 0.54 0.00 0.00 0.00 0.00 0.00 54.97 55.60 3ila s GLU 159 Cb 0.11 -0.45 0.00 0.00 2.00 0.00 0.00 34.13 35.79 3ila s GLU 159 CO -0.05 -0.40 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 3ila n GLY 160 N 5.33 0.72 3.80 -1.50 0.00 0.22 -4.97 105.19 108.79 3ila n GLY 160 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3ila n GLY 160 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ila s GLU 161 N -0.74 3.59 0.14 1.61 2.12 -1.26 -4.59 118.70 119.57 3ila s GLU 161 Ca 0.00 1.31 -0.30 0.00 0.36 0.00 0.00 54.97 56.34 3ila s GLU 161 Cb 0.00 -2.07 -0.07 0.00 0.26 0.00 0.00 34.13 32.25 3ila s GLU 161 CO 0.00 -0.60 1.16 -1.59 -0.54 0.00 0.00 175.26 173.69 3ila s LYS 162 N -3.57 4.51 -0.30 4.30 0.00 -1.26 -0.43 119.74 122.99 3ila s LYS 162 Ca 0.66 1.79 -0.29 0.00 0.00 0.00 0.00 55.97 58.13 3ila s LYS 162 Cb -0.17 -3.29 0.01 0.00 0.00 0.00 0.00 37.83 34.39 3ila s LYS 162 CO 0.27 -0.09 1.20 0.08 0.00 0.00 0.00 175.35 176.82 3ila s VAL 163 N 0.23 4.30 0.30 1.79 1.01 0.02 -4.88 120.40 123.17 3ila s VAL 163 Ca 0.53 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.97 3ila s VAL 163 Cb -0.31 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 3ila s VAL 163 CO 0.34 -0.46 0.55 -0.13 0.00 0.00 0.00 175.10 175.40 3ila s ARG 164 N 3.91 3.60 -0.06 2.72 0.52 -1.26 -2.10 118.95 126.27 3ila s ARG 164 Ca 0.51 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 3ila s ARG 164 Cb -0.15 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 3ila s ARG 164 CO 0.19 0.20 1.43 0.08 0.02 0.00 0.00 175.30 177.22 3ila s VAL 165 N -2.14 3.84 0.00 3.52 1.01 0.01 -2.92 120.40 123.71 3ila s VAL 165 Ca 0.43 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3ila s VAL 165 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3ila s VAL 165 CO 0.31 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3ila n GLY 166 N 3.76 0.61 3.76 4.51 0.00 -1.26 -4.95 105.19 111.63 3ila n GLY 166 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ila n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ila s ASP 167 N -1.97 7.12 0.24 1.61 1.11 -1.15 -4.98 116.67 118.65 3ila s ASP 167 Ca 0.00 2.33 -0.30 0.00 0.18 0.00 0.00 52.55 54.77 3ila s ASP 167 Cb 0.00 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.27 3ila s ASP 167 CO 0.00 -0.26 1.15 -1.81 1.18 0.00 0.00 175.17 175.43 3ila s ASP 168 N -0.86 7.17 0.05 0.27 1.01 -1.26 -4.39 116.67 118.65 3ila s ASP 168 Ca 0.47 2.27 0.05 0.00 0.71 0.00 0.00 52.55 56.05 3ila s ASP 168 Cb -0.33 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 40.96 3ila s ASP 168 CO 0.42 -0.26 -0.14 -0.76 0.21 0.00 0.00 175.17 174.64 3ila s LEU 169 N -0.95 2.20 -0.30 1.23 1.43 0.12 -3.86 118.68 118.54 3ila s LEU 169 Ca 0.48 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 3ila s LEU 169 Cb -0.33 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3ila s LEU 169 CO 0.40 0.01 0.11 -0.63 0.23 0.00 0.00 176.35 176.47 3ila s ILE 170 N -0.95 4.20 -0.30 -0.59 -1.09 0.36 -0.99 121.20 121.85 3ila s ILE 170 Ca 0.01 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 57.73 3ila s ILE 170 Cb -0.08 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 3ila s ILE 170 CO 0.02 0.07 0.17 -0.76 -1.23 0.00 0.00 174.94 173.21 3ila s LEU 171 N 1.54 4.05 -0.15 2.97 1.02 -1.26 -0.03 118.68 126.81 3ila s LEU 171 Ca 0.03 -0.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.89 3ila s LEU 171 Cb -0.17 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.96 3ila s LEU 171 CO 0.04 -0.13 -0.08 -0.69 0.02 0.00 0.00 176.35 175.51 3ila s VAL 172 N 1.69 3.40 0.20 -1.59 1.01 0.18 -1.81 120.40 123.47 3ila s VAL 172 Ca 0.06 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 3ila s VAL 172 Cb -0.16 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 3ila s VAL 172 CO 0.08 0.50 1.61 -0.55 0.00 0.00 0.00 175.10 176.73 3ila s SER 173 N 0.55 6.51 0.17 3.32 0.15 0.80 -0.04 113.70 125.17 3ila s SER 173 Ca -0.06 2.73 -0.01 0.00 0.70 0.00 0.00 55.95 59.31 3ila s SER 173 Cb -0.15 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 3ila s SER 173 CO 0.03 -0.87 1.42 0.58 1.20 0.00 0.00 173.24 175.61 3ila h VAL 174 N 3.85 1.39 0.17 4.45 2.07 -1.63 -2.25 116.25 124.31 3ila h VAL 174 Ca -0.43 -2.21 -0.31 0.00 0.82 0.00 0.00 66.70 64.56 3ila h VAL 174 Cb 1.21 2.17 0.03 0.00 -1.52 0.00 0.00 31.29 33.18 3ila h VAL 174 CO 0.90 0.66 -1.33 0.77 0.02 0.00 0.00 177.57 178.59 3ila h SER 175 N 0.24 0.88 -0.01 0.57 4.64 -1.79 -3.38 113.55 114.71 3ila h SER 175 Ca -0.04 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 3ila h SER 175 Cb 1.34 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ila h SER 175 CO 0.13 1.66 -0.20 -1.54 -0.87 0.00 0.00 176.83 176.00 3ila n SER 176 N -3.77 1.25 -3.79 4.97 3.41 -1.26 -5.00 113.62 109.43 3ila n SER 176 Ca -0.15 -1.13 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 3ila n SER 176 Cb 1.03 0.45 0.02 0.00 -0.26 0.00 0.00 64.21 65.45 3ila n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ila n GLU 177 N -0.22 -5.30 -4.44 4.33 1.02 -0.85 -5.00 120.64 110.20 3ila n GLU 177 Ca 0.04 0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 57.58 3ila n GLU 177 Cb 0.22 -5.48 -0.10 0.00 -0.02 0.00 0.00 31.44 26.05 3ila n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ila s ARG 178 N -6.50 1.57 0.02 3.49 0.52 -1.25 -4.90 118.95 111.91 3ila s ARG 178 Ca 0.62 -1.80 -0.06 0.00 -0.52 0.00 0.00 55.73 53.97 3ila s ARG 178 Cb -0.31 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.94 3ila s ARG 178 CO 0.76 0.03 0.27 0.71 0.02 0.00 0.00 175.30 177.09 3ila s TYR 179 N -3.00 3.56 -0.36 -0.53 2.02 -0.60 -0.14 117.35 118.30 3ila s TYR 179 Ca 0.30 0.53 -0.28 0.00 -0.37 0.00 0.00 57.07 57.25 3ila s TYR 179 Cb 0.04 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3ila s TYR 179 CO 0.12 0.60 1.74 -1.17 -1.57 0.00 0.00 175.55 175.27 3ila s LEU 180 N -1.90 3.50 0.14 -1.29 2.96 -0.75 -1.96 118.68 119.39 3ila s LEU 180 Ca 0.29 1.16 0.10 0.00 -0.22 0.00 0.00 54.13 55.46 3ila s LEU 180 Cb -0.13 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3ila s LEU 180 CO 0.18 -1.71 -0.19 -2.28 -1.32 0.00 0.00 176.35 171.03 3ila s HIS 181 N 6.79 2.48 -0.20 5.38 5.65 0.65 -3.83 115.29 132.20 3ila s HIS 181 Ca 0.76 -0.29 -0.16 0.00 0.25 0.00 0.00 55.06 55.62 3ila s HIS 181 Cb -0.20 -1.28 -0.04 0.00 -1.18 0.00 0.00 32.58 29.87 3ila s HIS 181 CO 0.33 0.42 0.40 -1.17 -0.65 0.00 0.00 174.74 174.07 3ila s LEU 182 N -2.34 4.15 0.11 8.88 2.96 -1.26 -1.56 118.68 129.61 3ila s LEU 182 Ca 0.19 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 3ila s LEU 182 Cb -0.10 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 3ila s LEU 182 CO 0.10 -0.09 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.93 3ila s SER 183 N 1.07 2.23 -0.01 3.68 1.04 -0.20 -4.97 113.70 116.54 3ila s SER 183 Ca 0.19 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.92 3ila s SER 183 Cb -0.15 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3ila s SER 183 CO 0.08 -0.04 -0.09 0.42 0.98 0.00 0.00 173.24 174.59 3ila s THR 184 N -1.55 0.73 0.00 2.02 -4.23 -1.26 -0.12 115.64 111.23 3ila s THR 184 Ca 0.06 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3ila s THR 184 Cb -0.08 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.14 3ila s THR 184 CO 0.04 0.21 0.00 0.00 -0.54 0.00 0.00 174.62 174.33 3ila n ALA 185 N 2.89 1.74 -2.62 3.99 0.00 -1.26 -5.01 120.51 120.24 3ila n ALA 185 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 3ila n ALA 185 Cb 0.57 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3ila n ALA 185 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ila n LEU 189 N -1.63 3.47 -4.99 0.00 7.99 -1.21 -5.31 117.00 115.32 3ila n LEU 189 Ca 0.00 -4.80 -0.21 0.00 -0.01 0.00 0.00 56.01 50.99 3ila n LEU 189 Cb 0.36 -0.13 0.04 0.00 -0.11 0.00 0.00 43.42 43.57 3ila n LEU 189 CO 0.00 2.05 0.24 0.00 -1.51 0.00 0.00 177.39 178.17 3ila s GLN 190 N -3.34 2.35 -0.07 3.23 1.03 0.84 -3.33 119.66 120.36 3ila s GLN 190 Ca 0.41 -1.69 0.01 0.00 0.04 0.00 0.00 55.36 54.13 3ila s GLN 190 Cb 0.40 -2.51 0.02 0.00 0.03 0.00 0.00 33.01 30.95 3ila s GLN 190 CO -0.11 -0.72 -0.06 0.54 -2.54 0.00 0.00 175.29 172.40 3ila s VAL 191 N -2.65 0.75 0.00 3.63 0.11 -1.26 -1.04 120.40 119.94 3ila s VAL 191 Ca 0.54 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 3ila s VAL 191 Cb -0.05 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3ila s VAL 191 CO 0.34 0.29 0.00 -0.90 -3.33 0.00 0.00 175.10 171.50 3ila n ASP 192 N 4.35 0.59 -3.95 3.54 5.68 -0.60 -3.71 116.55 122.46 3ila n ASP 192 Ca -0.19 -0.96 -0.30 0.00 -0.50 0.00 0.00 54.79 52.84 3ila n ASP 192 Cb 0.51 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.33 3ila n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ila s ALA 193 N -2.00 1.99 0.30 2.12 0.00 0.13 -0.25 121.76 124.04 3ila s ALA 193 Ca 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.63 3ila s ALA 193 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 3ila s ALA 193 CO 0.00 -1.19 0.23 -1.54 0.00 0.00 0.00 175.76 173.26 3ila s SER 194 N 1.38 1.29 0.54 0.00 1.04 -0.83 -2.58 113.70 114.54 3ila s SER 194 Ca -0.06 -1.65 0.31 0.00 0.48 0.00 0.00 55.95 55.03 3ila s SER 194 Cb -0.19 0.50 1.47 0.00 0.10 0.00 0.00 66.02 67.91 3ila s SER 194 CO -0.06 -1.00 2.05 2.19 0.98 0.00 0.00 173.24 177.40 3ila h PHE 195 N 2.26 0.00 -3.41 5.02 -0.00 -1.94 -1.59 116.94 117.28 3ila h PHE 195 Ca -0.28 0.00 -0.55 0.00 -0.00 0.00 0.00 57.97 57.14 3ila h PHE 195 Cb 1.24 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.15 3ila h PHE 195 CO 1.33 0.09 0.18 -1.64 -0.00 0.00 0.00 178.31 178.27 3ila s MET 196 N -3.94 4.50 0.17 6.09 -1.94 -1.26 -4.88 119.30 118.04 3ila s MET 196 Ca -0.01 1.09 0.04 0.00 -1.71 0.00 0.00 55.69 55.09 3ila s MET 196 Cb 0.11 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 3ila s MET 196 CO 0.56 0.13 0.25 1.14 -0.01 0.00 0.00 175.02 177.08 3ila s GLN 197 N 0.49 3.26 -0.01 2.03 -2.07 -1.26 -4.60 119.66 117.50 3ila s GLN 197 Ca 0.41 -0.73 0.02 0.00 -1.82 0.00 0.00 55.36 53.25 3ila s GLN 197 Cb -0.20 -2.84 -0.00 0.00 -1.09 0.00 0.00 33.01 28.88 3ila s GLN 197 CO 0.22 0.49 -0.06 0.99 -1.32 0.00 0.00 175.29 175.61 3ila s THR 198 N -1.80 0.51 0.16 3.63 2.01 -1.25 -4.94 115.64 113.95 3ila s THR 198 Ca 0.33 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 3ila s THR 198 Cb -0.10 -0.44 -0.07 0.00 0.01 0.00 0.00 72.50 71.90 3ila s THR 198 CO 0.27 0.15 0.97 -0.76 -0.69 0.00 0.00 174.62 174.56 3ila s LEU 199 N -0.07 4.55 0.04 4.42 1.43 -1.26 -4.62 118.68 123.16 3ila s LEU 199 Ca 0.01 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 3ila s LEU 199 Cb -0.03 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3ila s LEU 199 CO -0.00 -0.01 -0.21 0.26 0.23 0.00 0.00 176.35 176.62 3ila s TRP 200 N -0.43 1.82 -0.29 0.29 0.52 -0.16 -4.55 118.94 116.15 3ila s TRP 200 Ca 0.45 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.21 3ila s TRP 200 Cb -0.25 -1.10 0.06 0.00 -1.15 0.00 0.00 33.47 31.04 3ila s TRP 200 CO 0.31 0.08 -0.04 -0.80 0.02 0.00 0.00 176.95 176.52 3ila s ASN 201 N -1.11 4.68 -0.99 2.95 -0.87 0.16 0.10 114.94 119.86 3ila s ASN 201 Ca 0.08 -1.46 -0.23 0.00 -1.57 0.00 0.00 52.86 49.68 3ila s ASN 201 Cb -0.09 -1.63 0.06 0.00 -0.02 0.00 0.00 41.25 39.57 3ila s ASN 201 CO 0.02 -0.25 1.40 -0.04 -2.57 0.00 0.00 177.10 175.66 3ila s MET 202 N 1.14 3.56 -0.25 -0.60 -1.94 -1.26 -1.02 119.30 118.93 3ila s MET 202 Ca -0.05 -1.12 -0.20 0.00 -1.71 0.00 0.00 55.69 52.61 3ila s MET 202 Cb -0.20 -5.22 -0.02 0.00 2.01 0.00 0.00 34.83 31.40 3ila s MET 202 CO -0.04 -2.16 0.61 -0.80 -0.01 0.00 0.00 175.02 172.63 3ila s ASN 203 N 4.75 6.57 0.57 3.03 -0.87 0.39 -4.69 114.94 124.68 3ila s ASN 203 Ca 0.44 0.70 -0.21 0.00 -1.57 0.00 0.00 52.86 52.22 3ila s ASN 203 Cb -0.01 -2.33 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 3ila s ASN 203 CO -0.08 -0.35 1.29 -2.16 -2.57 0.00 0.00 177.10 173.24 3ila s PRO 204 N 2.40 3.06 0.00 -0.60 0.04 -1.26 -0.34 135.00 138.30 3ila s PRO 204 Ca 0.26 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3ila s PRO 204 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3ila s PRO 204 CO 0.09 -1.20 0.00 -0.89 0.04 0.00 0.00 177.00 175.04