#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 2.89 0.04 1.08 0.08 -1.26 -0.42 117.98 120.39 3ila s PHE 13 Ca 0.00 -0.11 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 3ila s PHE 13 Cb 0.00 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 40.98 3ila s PHE 13 CO 0.00 0.51 0.54 -0.51 -0.10 0.00 0.00 175.22 175.66 3ila s LEU 14 N -2.86 4.50 0.27 -0.37 1.43 -0.31 -4.84 118.68 116.50 3ila s LEU 14 Ca 0.27 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 3ila s LEU 14 Cb -0.10 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 3ila s LEU 14 CO 0.19 0.25 0.12 -0.13 0.23 0.00 0.00 176.35 177.01 3ila s ARG 15 N -0.93 1.44 0.65 1.70 1.81 -1.26 -0.32 118.95 122.04 3ila s ARG 15 Ca 0.28 -1.79 -0.17 0.00 -1.72 0.00 0.00 55.73 52.33 3ila s ARG 15 Cb -0.19 -0.16 -0.01 0.00 -0.45 0.00 0.00 34.95 34.15 3ila s ARG 15 CO 0.17 -0.35 1.17 0.95 -0.68 0.00 0.00 175.30 176.56 3ila s THR 16 N -3.76 2.79 0.00 0.02 -4.23 -0.05 -3.09 115.64 107.32 3ila s THR 16 Ca 0.37 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 3ila s THR 16 Cb 0.07 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3ila s THR 16 CO 0.15 -0.17 0.00 0.47 -0.54 0.00 0.00 174.62 174.52 3ila n ASP 17 N -2.14 -1.87 -4.68 3.99 8.00 0.19 -4.71 116.55 115.32 3ila n ASP 17 Ca 0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3ila n ASP 17 Cb 0.51 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 3ila n ASP 17 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ila s ASP 18 N -2.39 7.02 -0.79 -2.24 1.11 -1.18 -4.77 116.67 113.44 3ila s ASP 18 Ca 0.00 1.80 -0.26 0.00 0.18 0.00 0.00 52.55 54.27 3ila s ASP 18 Cb 0.00 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.47 3ila s ASP 18 CO 0.00 -0.63 1.29 -1.61 1.18 0.00 0.00 175.17 175.40 3ila s GLU 19 N 2.48 3.26 0.22 8.23 2.02 -1.26 -2.05 118.70 131.60 3ila s GLU 19 Ca 0.56 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 55.18 3ila s GLU 19 Cb -0.24 -4.40 -0.04 0.00 0.10 0.00 0.00 34.13 29.55 3ila s GLU 19 CO 0.21 -2.13 -0.01 0.14 0.02 0.00 0.00 175.26 173.49 3ila s VAL 20 N 5.46 3.57 -0.01 2.63 -7.23 0.14 -0.17 120.40 124.78 3ila s VAL 20 Ca 0.36 -1.66 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 3ila s VAL 20 Cb -0.07 -2.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3ila s VAL 20 CO 0.10 -0.23 -0.17 0.68 -0.31 0.00 0.00 175.10 175.17 3ila s VAL 21 N -1.99 2.87 -0.32 1.32 -7.23 -0.07 -0.90 120.40 114.07 3ila s VAL 21 Ca 0.29 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.37 3ila s VAL 21 Cb -0.08 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 3ila s VAL 21 CO 0.19 0.49 0.35 -0.76 -0.31 0.00 0.00 175.10 175.06 3ila s LEU 22 N -1.01 4.31 0.06 1.32 1.02 -1.26 -1.94 118.68 121.18 3ila s LEU 22 Ca 0.13 -0.09 0.09 0.00 0.02 0.00 0.00 54.13 54.28 3ila s LEU 22 Cb -0.11 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.73 3ila s LEU 22 CO 0.02 -0.28 -0.26 -1.10 0.02 0.00 0.00 176.35 174.76 3ila s GLN 23 N 2.01 1.67 0.07 1.70 -0.21 -0.05 0.00 119.66 124.85 3ila s GLN 23 Ca 0.12 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.40 3ila s GLN 23 Cb -0.16 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 3ila s GLN 23 CO 0.11 0.48 -0.08 0.00 -2.12 0.00 0.00 175.29 173.69 3ila s SER 25 N -2.16 6.68 -0.16 0.00 0.15 -1.26 -0.63 113.70 116.33 3ila s SER 25 Ca -0.01 0.89 -0.24 0.00 0.70 0.00 0.00 55.95 57.29 3ila s SER 25 Cb -0.04 -2.22 0.06 0.00 -1.71 0.00 0.00 66.02 62.11 3ila s SER 25 CO -0.01 0.08 0.62 0.00 1.20 0.00 0.00 173.24 175.12 3ila s ALA 26 N -1.55 -1.56 -0.44 5.45 0.00 -0.62 -4.95 121.76 118.10 3ila s ALA 26 Ca 0.39 1.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 3ila s ALA 26 Cb -0.13 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.44 3ila s ALA 26 CO 0.20 -0.32 0.32 0.95 0.00 0.00 0.00 175.76 176.91 3ila s THR 27 N -0.31 4.94 -0.19 0.00 -4.23 -1.26 -0.14 115.64 114.44 3ila s THR 27 Ca -0.05 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 3ila s THR 27 Cb -0.03 -3.90 0.01 0.00 1.34 0.00 0.00 72.50 69.92 3ila s THR 27 CO 0.04 -0.47 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.82 3ila s VAL 28 N 1.59 2.50 0.00 2.29 1.01 -1.26 -4.99 120.40 121.54 3ila s VAL 28 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3ila s VAL 28 Cb -0.22 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ila s VAL 28 CO 0.06 0.50 0.00 0.18 0.00 0.00 0.00 175.10 175.84 3ila n LEU 29 N 4.68 0.00 -4.56 3.92 4.77 -1.26 -4.89 117.00 119.66 3ila n LEU 29 Ca -0.20 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.44 3ila n LEU 29 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 3ila n LEU 29 CO 0.27 0.00 -0.33 -1.10 -1.33 0.00 0.00 177.39 174.90 3ila s GLN 32 N 0.00 3.51 0.02 3.23 1.11 -1.26 -5.35 119.66 120.92 3ila s GLN 32 Ca 0.00 -0.47 0.07 0.00 0.01 0.00 0.00 55.36 54.96 3ila s GLN 32 Cb 0.00 -2.91 -0.02 0.00 -1.01 0.00 0.00 33.01 29.07 3ila s GLN 32 CO 0.00 0.37 -0.19 -0.51 0.01 0.00 0.00 175.29 174.97 3ila s LEU 33 N 0.03 2.13 -0.33 2.90 1.43 0.80 -5.01 118.68 120.62 3ila s LEU 33 Ca 0.01 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 3ila s LEU 33 Cb -0.13 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3ila s LEU 33 CO 0.02 0.17 0.24 -1.59 0.23 0.00 0.00 176.35 175.42 3ila s LYS 34 N -0.94 3.57 -0.27 1.70 0.00 -1.26 -1.59 119.74 120.95 3ila s LYS 34 Ca 0.07 -0.58 -0.09 0.00 0.00 0.00 0.00 55.97 55.37 3ila s LYS 34 Cb -0.08 -3.78 -0.03 0.00 0.00 0.00 0.00 37.83 33.93 3ila s LYS 34 CO 0.01 -0.41 0.13 -0.51 0.00 0.00 0.00 175.35 174.58 3ila s LEU 35 N 1.75 3.80 -0.07 2.77 1.43 0.20 -3.13 118.68 125.43 3ila s LEU 35 Ca 0.07 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 3ila s LEU 35 Cb -0.17 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3ila s LEU 35 CO 0.11 -0.07 0.36 0.00 0.23 0.00 0.00 176.35 176.98 3ila s LEU 37 N -0.46 4.27 0.10 0.00 2.96 0.10 -0.60 118.68 125.06 3ila s LEU 37 Ca 0.21 1.88 0.06 0.00 -0.22 0.00 0.00 54.13 56.06 3ila s LEU 37 Cb -0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 3ila s LEU 37 CO 0.10 -0.65 -0.14 0.00 -1.32 0.00 0.00 176.35 174.33 3ila s ALA 38 N 2.49 1.36 -0.12 5.97 0.00 0.63 -4.53 121.76 127.56 3ila s ALA 38 Ca 0.58 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 3ila s ALA 38 Cb -0.26 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3ila s ALA 38 CO 0.22 0.15 0.34 0.00 0.00 0.00 0.00 175.76 176.47 3ila s ALA 39 N -1.70 -0.85 -0.23 0.00 0.00 -0.98 -0.13 121.76 117.87 3ila s ALA 39 Ca 0.04 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3ila s ALA 39 Cb -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3ila s ALA 39 CO 0.03 -0.17 -0.07 -1.21 0.00 0.00 0.00 175.76 174.33 3ila s GLU 40 N 0.10 3.06 -0.29 0.00 2.02 -1.26 -4.71 118.70 117.62 3ila s GLU 40 Ca -0.01 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.04 3ila s GLU 40 Cb -0.03 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3ila s GLU 40 CO 0.01 -0.30 0.24 0.20 0.02 0.00 0.00 175.26 175.43 3ila s GLY 41 N 1.38 1.92 0.00 -1.39 0.00 -1.26 -4.67 107.32 103.30 3ila s GLY 41 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.66 3ila s GLY 41 CO -0.05 0.75 0.00 -0.96 0.00 0.00 0.00 173.10 172.84 3ila n ARG 45 N 5.14 0.00 -1.86 2.90 -4.01 -1.26 -4.99 116.66 112.58 3ila n ARG 45 Ca -0.12 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.36 3ila n ARG 45 Cb 0.51 0.00 0.03 0.00 -3.04 0.00 0.00 32.46 29.96 3ila n ARG 45 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ila s LEU 46 N 0.00 3.40 0.51 2.89 1.43 -1.26 -2.61 118.68 123.04 3ila s LEU 46 Ca 0.00 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 3ila s LEU 46 Cb 0.00 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 3ila s LEU 46 CO 0.00 -1.40 1.00 0.00 0.23 0.00 0.00 176.35 176.18 3ila s PHE 48 N -2.49 1.29 0.01 0.00 -0.12 0.81 -4.61 117.98 112.87 3ila s PHE 48 Ca 0.61 -1.40 0.08 0.00 -0.05 0.00 0.00 56.93 56.17 3ila s PHE 48 Cb -0.11 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.85 3ila s PHE 48 CO 0.29 -0.92 -0.25 -0.51 -0.05 0.00 0.00 175.22 173.78 3ila s LEU 49 N -3.25 2.16 -0.23 -1.99 1.43 -1.26 -0.27 118.68 115.27 3ila s LEU 49 Ca 0.35 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3ila s LEU 49 Cb 0.02 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.94 3ila s LEU 49 CO 0.20 0.29 -0.13 -1.83 0.23 0.00 0.00 176.35 175.12 3ila s GLU 50 N -0.91 2.61 0.30 1.70 4.04 0.24 -4.93 118.70 121.75 3ila s GLU 50 Ca 0.11 -1.10 -0.28 0.00 0.04 0.00 0.00 54.97 53.74 3ila s GLU 50 Cb -0.10 -2.81 -0.09 0.00 0.02 0.00 0.00 34.13 31.14 3ila s GLU 50 CO 0.01 -0.42 1.04 -2.14 -1.84 0.00 0.00 175.26 171.90 3ila s PRO 51 N 1.21 4.59 0.43 -4.83 0.02 -1.26 -1.26 135.00 133.91 3ila s PRO 51 Ca -0.02 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.57 3ila s PRO 51 Cb -0.17 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3ila s PRO 51 CO -0.07 0.22 0.73 0.95 -0.33 0.00 0.00 177.00 178.50 3ila s THR 52 N -1.31 4.92 -0.03 0.99 -4.23 -1.18 -4.68 115.64 110.13 3ila s THR 52 Ca 0.47 0.19 0.03 0.00 -1.18 0.00 0.00 61.69 61.19 3ila s THR 52 Cb -0.27 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 3ila s THR 52 CO 0.35 -0.70 -0.08 -2.16 -0.54 0.00 0.00 174.62 171.48 3ila s PRO 59 N -4.41 2.58 0.30 3.99 0.04 -1.26 -5.11 135.00 131.14 3ila s PRO 59 Ca 0.47 -0.68 0.06 0.00 0.04 0.00 0.00 61.00 60.89 3ila s PRO 59 Cb -0.10 -2.50 0.82 0.00 0.04 0.00 0.00 34.50 32.76 3ila s PRO 59 CO 0.40 0.62 1.66 -1.35 0.04 0.00 0.00 177.00 178.37 3ila h PRO 60 N 4.87 0.26 -2.96 0.56 0.11 -1.93 -3.38 132.00 129.53 3ila h PRO 60 Ca -0.48 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 3ila h PRO 60 Cb 1.17 -0.06 -0.35 0.00 0.11 0.00 0.00 31.00 31.87 3ila h PRO 60 CO 0.52 0.17 -0.61 0.16 -0.21 0.00 0.00 178.00 178.03 3ila s ASP 61 N -5.05 0.77 0.41 -2.05 -4.77 -1.26 -5.05 116.67 99.68 3ila s ASP 61 Ca -0.11 0.30 0.23 0.00 -3.30 0.00 0.00 52.55 49.67 3ila s ASP 61 Cb 0.27 0.38 0.29 0.00 -1.09 0.00 0.00 42.92 42.77 3ila s ASP 61 CO 0.78 -0.26 1.53 -0.07 0.70 0.00 0.00 175.17 177.85 3ila h LEU 62 N 8.34 0.00 -0.37 2.11 -0.00 -2.00 -3.36 115.31 120.02 3ila h LEU 62 Ca -0.14 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.76 3ila h LEU 62 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 3ila h LEU 62 CO 0.16 0.00 0.22 0.00 -0.00 0.00 0.00 178.44 178.82 3ila h ALA 63 N 2.00 0.47 0.00 1.53 0.00 -1.97 -1.33 119.26 119.97 3ila h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ila h ALA 63 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ila h ALA 63 CO 0.00 -0.12 0.00 -0.84 0.00 0.00 0.00 179.25 178.29 3ila h ILE 64 N 0.45 0.00 0.00 0.00 3.07 -1.85 -3.27 117.51 115.90 3ila h ILE 64 Ca 0.15 -0.46 -0.16 0.00 1.55 0.00 0.00 64.86 65.94 3ila h ILE 64 Cb 0.00 1.39 -0.03 0.00 -0.27 0.00 0.00 36.82 37.92 3ila h ILE 64 CO -0.07 0.00 -1.43 0.00 -1.05 0.00 0.00 178.15 175.60 3ila s PHE 67 N 2.53 2.26 -0.10 0.00 0.08 -0.08 -1.79 117.98 120.89 3ila s PHE 67 Ca 0.68 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 3ila s PHE 67 Cb -0.35 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3ila s PHE 67 CO 0.29 -0.04 -0.00 0.95 -0.10 0.00 0.00 175.22 176.32 3ila s THR 68 N -0.60 4.26 -0.92 0.64 -4.23 -0.10 0.23 115.64 114.92 3ila s THR 68 Ca 0.10 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.12 3ila s THR 68 Cb -0.10 -2.81 0.06 0.00 1.34 0.00 0.00 72.50 70.99 3ila s THR 68 CO -0.01 0.58 1.35 -0.76 -0.54 0.00 0.00 174.62 175.24 3ila s LEU 69 N -0.65 3.66 -0.06 4.79 1.43 -0.87 -1.42 118.68 125.55 3ila s LEU 69 Ca 0.10 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 3ila s LEU 69 Cb -0.12 -2.54 -0.12 0.00 0.03 0.00 0.00 46.19 43.44 3ila s LEU 69 CO 0.02 -1.53 0.67 -0.08 0.23 0.00 0.00 176.35 175.66 3ila h GLU 70 N 9.73 -0.23 -4.06 1.70 4.81 -1.65 0.54 114.58 125.42 3ila h GLU 70 Ca 0.06 0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 59.01 3ila h GLU 70 Cb 1.02 0.05 -0.28 0.00 0.63 0.00 0.00 28.75 30.17 3ila h GLU 70 CO 1.34 0.12 -0.74 -0.65 -0.73 0.00 0.00 179.01 178.35 3ila s GLN 71 N -3.00 0.26 -0.22 1.92 -0.21 -1.24 -4.64 119.66 112.53 3ila s GLN 71 Ca -0.10 -0.10 -0.00 0.00 0.02 0.00 0.00 55.36 55.17 3ila s GLN 71 Cb 0.00 -0.26 0.06 0.00 1.00 0.00 0.00 33.01 33.82 3ila s GLN 71 CO 0.36 0.06 -0.03 0.45 -2.12 0.00 0.00 175.29 174.01 3ila s SER 72 N -0.03 3.57 0.28 5.90 0.15 -1.26 -0.63 113.70 121.68 3ila s SER 72 Ca 0.01 -1.07 0.10 0.00 0.70 0.00 0.00 55.95 55.70 3ila s SER 72 Cb -0.02 -1.01 -0.05 0.00 -1.71 0.00 0.00 66.02 63.23 3ila s SER 72 CO -0.00 -0.25 -0.16 -0.76 1.20 0.00 0.00 173.24 173.27 3ila s LEU 73 N 1.53 2.61 0.91 3.45 1.43 -0.01 -4.92 118.68 123.67 3ila s LEU 73 Ca -0.04 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 51.84 3ila s LEU 73 Cb -0.18 -0.98 0.15 0.00 0.03 0.00 0.00 46.19 45.21 3ila s LEU 73 CO -0.07 -0.07 1.26 -0.94 0.23 0.00 0.00 176.35 176.76 3ila s SER 74 N -3.50 3.63 0.17 2.29 1.04 -1.26 0.14 113.70 116.22 3ila s SER 74 Ca 0.29 0.48 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 3ila s SER 74 Cb -0.02 -0.71 0.06 0.00 0.10 0.00 0.00 66.02 65.45 3ila s SER 74 CO 0.14 -2.43 1.66 1.62 0.98 0.00 0.00 173.24 175.21 3ila h VAL 75 N -1.43 1.26 -0.01 5.02 3.04 -1.95 -1.34 116.25 120.86 3ila h VAL 75 Ca -0.45 -1.02 -0.14 0.00 -1.01 0.00 0.00 66.70 64.07 3ila h VAL 75 Cb 1.27 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 3ila h VAL 75 CO 0.49 0.37 -0.66 0.08 -1.01 0.00 0.00 177.57 176.84 3ila h ARG 76 N 0.89 0.02 0.00 4.17 -0.00 -1.98 -3.19 114.38 114.30 3ila h ARG 76 Ca 0.18 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.98 59.94 3ila h ARG 76 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 3ila h ARG 76 CO 0.02 0.68 -0.87 0.00 -0.00 0.00 0.00 179.97 179.79 3ila h ALA 77 N 1.32 0.53 -0.21 0.08 0.00 -1.90 -3.23 119.26 115.85 3ila h ALA 77 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 3ila h ALA 77 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ila h ALA 77 CO 0.09 0.93 -0.09 1.25 0.00 0.00 0.00 179.25 181.43 3ila h LEU 78 N 0.09 0.44 -0.91 0.00 5.85 -1.23 -2.03 115.31 117.53 3ila h LEU 78 Ca -0.04 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 3ila h LEU 78 Cb 1.50 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 3ila h LEU 78 CO 0.13 0.74 -0.04 1.56 -0.34 0.00 0.00 178.44 180.50 3ila h GLN 79 N 0.13 0.76 -0.21 1.25 1.08 -1.67 -1.40 115.11 115.05 3ila h GLN 79 Ca 0.05 -0.22 -0.17 0.00 -1.45 0.00 0.00 58.65 56.86 3ila h GLN 79 Cb 0.57 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3ila h GLN 79 CO 0.03 0.80 -0.57 0.93 -0.95 0.00 0.00 178.83 179.07 3ila h GLU 80 N 0.71 0.67 -0.22 1.46 5.08 -1.57 -2.71 114.58 117.99 3ila h GLU 80 Ca 0.13 -0.44 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 3ila h GLU 80 Cb 0.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3ila h GLU 80 CO 0.02 1.06 -0.63 0.52 -1.00 0.00 0.00 179.01 178.98 3ila h MET 81 N 0.51 0.78 -0.00 2.33 2.07 -1.23 -3.17 114.93 116.23 3ila h MET 81 Ca 0.01 -0.54 -0.08 0.00 -2.07 0.00 0.00 59.70 57.01 3ila h MET 81 Cb 1.14 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.94 3ila h MET 81 CO 0.11 1.17 -0.37 1.37 1.07 0.00 0.00 176.91 180.26 3ila h LEU 82 N 0.58 0.01 0.00 1.22 -0.00 -1.29 -2.39 115.31 113.44 3ila h LEU 82 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3ila h LEU 82 Cb 1.23 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 3ila h LEU 82 CO 0.13 0.38 0.00 0.00 -0.00 0.00 0.00 178.44 178.95 3ila n ALA 83 N -2.47 1.98 -1.94 0.17 0.00 -1.02 -5.01 120.51 112.22 3ila n ALA 83 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ila n ALA 83 Cb 0.41 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ila n ALA 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ila n ASN 84 N -1.33 0.00 -4.69 0.00 3.02 -0.90 -5.10 115.26 106.26 3ila n ASN 84 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 3ila n ASN 84 Cb 0.16 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3ila n ASN 84 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ila s HIS 98 N 0.34 2.79 -0.05 3.10 3.76 -1.26 -5.02 115.29 118.95 3ila s HIS 98 Ca 0.00 0.77 0.05 0.00 -0.15 0.00 0.00 55.06 55.73 3ila s HIS 98 Cb 0.00 -3.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.00 3ila s HIS 98 CO 0.00 -2.57 -0.21 0.50 -0.85 0.00 0.00 174.74 171.61 3ila s ARG 99 N 2.52 2.18 0.18 1.40 3.52 -1.26 -4.93 118.95 122.56 3ila s ARG 99 Ca 0.64 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 3ila s ARG 99 Cb -0.32 -1.86 -0.08 0.00 -1.56 0.00 0.00 34.95 31.14 3ila s ARG 99 CO 0.26 0.31 1.03 0.99 -0.81 0.00 0.00 175.30 177.09 3ila s THR 100 N -0.05 4.03 0.17 4.11 2.01 -1.26 -0.87 115.64 123.78 3ila s THR 100 Ca -0.04 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 3ila s THR 100 Cb -0.13 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 3ila s THR 100 CO 0.03 0.34 1.13 -0.76 -0.69 0.00 0.00 174.62 174.67 3ila s LEU 101 N -0.54 4.47 0.04 4.42 1.02 0.57 -4.96 118.68 123.69 3ila s LEU 101 Ca 0.47 2.12 0.07 0.00 0.02 0.00 0.00 54.13 56.80 3ila s LEU 101 Cb -0.27 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.31 3ila s LEU 101 CO 0.34 -0.27 -0.20 -0.76 0.02 0.00 0.00 176.35 175.47 3ila s LEU 102 N -0.25 2.15 -0.02 1.79 1.43 -1.26 -0.58 118.68 121.94 3ila s LEU 102 Ca 0.51 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3ila s LEU 102 Cb -0.30 -0.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 3ila s LEU 102 CO 0.35 0.16 1.99 -0.31 0.23 0.00 0.00 176.35 178.77 3ila s TYR 103 N -0.77 1.30 0.00 0.29 2.02 0.08 -1.76 117.35 118.50 3ila s TYR 103 Ca 0.07 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3ila s TYR 103 Cb -0.09 -4.17 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 3ila s TYR 103 CO 0.01 -5.21 0.00 0.41 -1.57 0.00 0.00 175.55 169.20 3ila n GLY 104 N 4.75 0.77 3.75 0.71 0.00 -0.37 -0.00 105.19 114.80 3ila n GLY 104 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.08 2.41 -0.22 1.61 3.76 -0.72 -4.56 115.29 116.49 3ila s HIS 105 Ca 0.00 1.59 -0.08 0.00 -0.15 0.00 0.00 55.06 56.42 3ila s HIS 105 Cb 0.00 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 3ila s HIS 105 CO 0.00 -1.98 0.10 0.00 -0.85 0.00 0.00 174.74 172.01 3ila s ALA 106 N -2.60 3.40 0.15 -1.40 0.00 0.37 -1.90 121.76 119.78 3ila s ALA 106 Ca 0.65 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.76 3ila s ALA 106 Cb -0.20 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3ila s ALA 106 CO 0.51 -0.13 0.11 0.96 0.00 0.00 0.00 175.76 177.20 3ila s ILE 107 N 0.96 4.37 -0.26 0.00 -4.36 0.10 -0.83 121.20 121.19 3ila s ILE 107 Ca 0.05 -1.08 0.02 0.00 -0.26 0.00 0.00 60.65 59.38 3ila s ILE 107 Cb -0.14 -3.21 0.06 0.00 1.25 0.00 0.00 42.46 40.42 3ila s ILE 107 CO 0.03 -0.07 -0.10 -0.22 0.24 0.00 0.00 174.94 174.82 3ila s LEU 108 N -2.97 3.46 -0.35 0.37 2.96 0.20 -2.25 118.68 120.10 3ila s LEU 108 Ca 0.30 -1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 52.72 3ila s LEU 108 Cb -0.10 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3ila s LEU 108 CO 0.22 -0.19 0.27 -0.76 -1.32 0.00 0.00 176.35 174.57 3ila s LEU 109 N 1.13 4.62 -0.24 -0.68 1.43 -1.26 -1.58 118.68 122.10 3ila s LEU 109 Ca -0.08 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 3ila s LEU 109 Cb -0.20 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3ila s LEU 109 CO -0.05 -0.29 0.15 -0.60 0.23 0.00 0.00 176.35 175.80 3ila s ARG 110 N 1.75 4.03 0.34 1.70 3.52 -0.51 -1.33 118.95 128.44 3ila s ARG 110 Ca 0.07 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.08 3ila s ARG 110 Cb -0.18 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.58 3ila s ARG 110 CO 0.11 0.03 1.54 -1.58 -0.81 0.00 0.00 175.30 174.59 3ila s HIS 111 N 1.13 2.66 0.01 5.12 5.65 0.18 -0.92 115.29 129.12 3ila s HIS 111 Ca 0.07 0.98 -0.01 0.00 0.25 0.00 0.00 55.06 56.35 3ila s HIS 111 Cb -0.14 -4.05 -0.27 0.00 -1.18 0.00 0.00 32.58 26.94 3ila s HIS 111 CO 0.05 -3.29 0.90 0.00 -0.65 0.00 0.00 174.74 171.75 3ila h ALA 112 N 3.86 0.31 0.10 1.58 0.00 -1.63 -2.78 119.26 120.70 3ila h ALA 112 Ca -0.49 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 53.31 3ila h ALA 112 Cb 1.23 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3ila h ALA 112 CO 0.71 1.17 -0.05 1.12 0.00 0.00 0.00 179.25 182.21 3ila h HIS 113 N 0.06 -0.12 -0.01 0.00 -0.00 -1.82 -3.34 115.15 109.91 3ila h HIS 113 Ca -0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 3ila h HIS 113 Cb 1.99 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 29.44 3ila h HIS 113 CO 0.05 0.32 -0.38 -1.13 -0.00 0.00 0.00 177.93 176.80 3ila n SER 114 N -4.83 0.93 -2.22 3.10 3.41 -1.26 -4.96 113.62 107.78 3ila n SER 114 Ca -0.06 -0.74 -0.20 0.00 -0.26 0.00 0.00 58.87 57.61 3ila n SER 114 Cb 0.25 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3ila n SER 114 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3ila n ARG 115 N -0.91 -1.58 -3.28 4.33 -4.01 -1.05 -5.01 116.66 105.15 3ila n ARG 115 Ca 0.10 0.99 -0.21 0.00 -1.04 0.00 0.00 57.85 57.68 3ila n ARG 115 Cb 0.35 -5.58 0.04 0.00 -3.04 0.00 0.00 32.46 24.23 3ila n ARG 115 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 3ila s MET 116 N -4.90 2.31 -0.06 2.89 -1.94 -1.23 -4.83 119.30 111.53 3ila s MET 116 Ca 0.00 -1.74 0.03 0.00 -1.71 0.00 0.00 55.69 52.27 3ila s MET 116 Cb 0.00 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 3ila s MET 116 CO 0.00 -0.77 -0.15 0.71 -0.01 0.00 0.00 175.02 174.80 3ila s TYR 117 N -2.69 2.69 -0.35 -0.03 2.02 0.49 0.51 117.35 119.99 3ila s TYR 117 Ca 0.54 -0.28 -0.28 0.00 -0.37 0.00 0.00 57.07 56.68 3ila s TYR 117 Cb -0.05 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3ila s TYR 117 CO 0.34 0.09 1.83 -1.17 -1.57 0.00 0.00 175.55 175.07 3ila s LEU 118 N -0.51 3.48 0.19 -1.29 2.96 -0.45 -0.15 118.68 122.92 3ila s LEU 118 Ca 0.07 1.24 0.09 0.00 -0.22 0.00 0.00 54.13 55.31 3ila s LEU 118 Cb -0.12 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 3ila s LEU 118 CO 0.01 -1.79 -0.19 -0.94 -1.32 0.00 0.00 176.35 172.12 3ila s SER 119 N 6.44 2.91 -0.32 3.68 1.04 -0.78 -4.56 113.70 122.11 3ila s SER 119 Ca 0.80 -0.91 -0.17 0.00 0.48 0.00 0.00 55.95 56.15 3ila s SER 119 Cb -0.22 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 3ila s SER 119 CO 0.32 -0.02 0.46 0.00 0.98 0.00 0.00 173.24 174.98 3ila s LEU 121 N 2.24 2.80 0.00 0.00 1.43 -0.58 -4.78 118.68 119.80 3ila s LEU 121 Ca 0.17 0.94 0.27 0.00 -1.03 0.00 0.00 54.13 54.48 3ila s LEU 121 Cb -0.16 -3.64 0.81 0.00 0.03 0.00 0.00 46.19 43.24 3ila s LEU 121 CO 0.12 -1.50 1.61 0.35 0.23 0.00 0.00 176.35 177.15 3ila n THR 122 N -3.06 0.00 -4.01 5.49 -2.24 -1.26 -4.52 114.28 104.68 3ila n THR 122 Ca 0.07 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 3ila n THR 122 Cb 0.59 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.50 3ila n THR 122 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ila s THR 123 N -2.04 4.79 0.84 4.28 -4.23 -1.26 -5.00 115.64 113.01 3ila s THR 123 Ca 0.34 -0.63 -0.14 0.00 -1.18 0.00 0.00 61.69 60.08 3ila s THR 123 Cb 0.21 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.93 3ila s THR 123 CO 0.34 0.14 0.92 -1.20 -0.54 0.00 0.00 174.62 174.29 3ila n SER 124 N 0.45 -0.85 -0.60 3.99 7.64 -1.26 -0.69 113.62 122.30 3ila n SER 124 Ca -0.08 -1.19 0.47 0.00 1.01 0.00 0.00 58.87 59.08 3ila n SER 124 Cb 0.51 -0.77 0.72 0.00 -1.01 0.00 0.00 64.21 63.67 3ila n SER 124 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ila n LEU 131 N 0.00 0.00 -4.77 -3.43 4.32 -1.26 -4.52 117.00 107.34 3ila n LEU 131 Ca 0.12 0.90 -0.37 0.00 -0.02 0.00 0.00 56.01 56.64 3ila n LEU 131 Cb 0.44 -0.43 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 3ila n LEU 131 CO 0.31 -0.90 0.82 0.00 -1.22 0.00 0.00 177.39 176.40 3ila s ALA 132 N -4.67 3.00 0.18 -1.18 0.00 -1.26 -5.04 121.76 112.79 3ila s ALA 132 Ca -0.04 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.88 3ila s ALA 132 Cb 0.23 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3ila s ALA 132 CO 0.78 -0.60 0.13 -0.06 0.00 0.00 0.00 175.76 176.01 3ila s PHE 133 N -1.55 3.09 0.63 0.00 0.08 -0.74 -4.95 117.98 114.55 3ila s PHE 133 Ca 0.62 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 57.51 3ila s PHE 133 Cb -0.28 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 3ila s PHE 133 CO 0.34 0.52 1.04 -0.51 -0.10 0.00 0.00 175.22 176.51 3ila s ASP 134 N -3.22 6.13 -0.19 1.36 1.01 0.14 -0.42 116.67 121.47 3ila s ASP 134 Ca 0.31 1.40 0.01 0.00 0.71 0.00 0.00 52.55 54.98 3ila s ASP 134 Cb -0.09 -2.42 0.03 0.00 1.01 0.00 0.00 42.92 41.45 3ila s ASP 134 CO 0.23 -0.93 -0.14 -0.69 0.21 0.00 0.00 175.17 173.84 3ila s VAL 135 N -3.19 1.87 0.00 -1.27 1.01 -1.26 -1.52 120.40 116.03 3ila s VAL 135 Ca 0.55 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3ila s VAL 135 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3ila s VAL 135 CO 0.54 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.56 3ila n GLY 136 N 4.63 5.36 3.32 4.51 0.00 -1.07 -0.89 105.19 121.05 3ila n GLY 136 Ca -0.17 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 2.20 -0.12 0.99 1.43 -1.07 -1.86 118.68 120.25 3ila s LEU 137 Ca 0.00 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3ila s LEU 137 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3ila s LEU 137 CO 0.00 0.27 0.05 0.00 0.23 0.00 0.00 176.35 176.91 3ila s GLN 138 N -0.33 3.40 0.17 1.70 1.03 0.79 -4.62 119.66 121.80 3ila s GLN 138 Ca 0.02 -0.32 -0.14 0.00 0.04 0.00 0.00 55.36 54.95 3ila s GLN 138 Cb -0.12 -3.01 0.06 0.00 0.03 0.00 0.00 33.01 29.96 3ila s GLN 138 CO 0.02 0.58 1.81 0.93 -2.54 0.00 0.00 175.29 176.09 3ila h GLU 139 N 5.60 0.70 -6.11 9.60 4.39 -1.96 0.14 114.58 126.94 3ila h GLU 139 Ca -0.47 -0.06 -0.56 0.00 0.34 0.00 0.00 59.36 58.61 3ila h GLU 139 Cb 1.19 -0.15 -0.19 0.00 -0.10 0.00 0.00 28.75 29.51 3ila h GLU 139 CO 0.60 0.50 -0.80 0.16 -1.16 0.00 0.00 179.01 178.31 3ila s ASP 140 N -5.73 2.83 -1.43 1.42 3.84 -1.26 -4.64 116.67 111.70 3ila s ASP 140 Ca -0.13 -0.84 -0.09 0.00 -0.00 0.00 0.00 52.55 51.48 3ila s ASP 140 Cb 0.12 -0.18 0.06 0.00 -1.38 0.00 0.00 42.92 41.54 3ila s ASP 140 CO 0.75 0.01 2.39 0.00 -0.00 0.00 0.00 175.17 178.32 3ila n ALA 141 N 0.39 6.41 -2.47 2.11 0.00 -1.26 -4.88 120.51 120.80 3ila n ALA 141 Ca -0.14 -3.95 -0.29 0.00 0.00 0.00 0.00 53.44 49.06 3ila n ALA 141 Cb 0.56 -3.15 -0.12 0.00 0.00 0.00 0.00 19.45 16.74 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 1.05 2.71 0.02 0.00 -4.23 -1.26 -5.04 115.64 108.90 3ila s THR 142 Ca 0.53 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3ila s THR 142 Cb 0.15 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3ila s THR 142 CO -0.06 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3ila n GLY 143 N 0.81 -2.14 0.07 3.99 0.00 -1.26 -4.47 105.19 102.19 3ila n GLY 143 Ca -0.16 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.96 0.29 -0.08 1.61 4.71 -1.26 -4.25 120.64 120.70 3ila n GLU 144 Ca 0.00 0.11 0.09 0.00 -0.01 0.00 0.00 57.16 57.35 3ila n GLU 144 Cb 0.05 -1.71 0.46 0.00 -1.01 0.00 0.00 31.44 29.23 3ila n GLU 144 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ila h ALA 145 N 2.50 1.89 0.00 0.62 0.00 -1.86 -2.19 119.26 120.21 3ila h ALA 145 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ila h ALA 145 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3ila h ALA 145 CO 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.01 3ila s TRP 147 N -3.35 3.67 -0.02 0.00 0.52 -0.83 -4.57 118.94 114.36 3ila s TRP 147 Ca 0.03 0.94 0.02 0.00 0.02 0.00 0.00 56.10 57.10 3ila s TRP 147 Cb 0.08 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 30.15 3ila s TRP 147 CO 0.67 0.57 -0.06 -1.58 0.02 0.00 0.00 176.95 176.57 3ila s TRP 148 N -1.24 0.70 -0.09 -1.98 0.52 -0.95 -2.34 118.94 113.55 3ila s TRP 148 Ca 0.29 -0.16 -0.06 0.00 0.02 0.00 0.00 56.10 56.19 3ila s TRP 148 Cb -0.16 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 3ila s TRP 148 CO 0.16 -0.09 0.15 0.95 0.02 0.00 0.00 176.95 178.13 3ila s THR 149 N 0.33 5.48 -0.02 2.01 -4.23 0.10 0.02 115.64 119.33 3ila s THR 149 Ca -0.04 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 3ila s THR 149 Cb -0.08 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 3ila s THR 149 CO 0.00 0.55 0.29 -0.04 -0.54 0.00 0.00 174.62 174.88 3ila s MET 150 N -1.24 3.67 -0.02 3.99 -1.94 -0.80 -1.02 119.30 121.94 3ila s MET 150 Ca 0.18 0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 54.18 3ila s MET 150 Cb -0.12 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.58 3ila s MET 150 CO 0.07 0.69 0.14 -1.01 -0.01 0.00 0.00 175.02 174.90 3ila s HIS 151 N -1.17 -0.03 0.97 -0.03 3.76 -0.41 -1.24 115.29 117.15 3ila s HIS 151 Ca 0.23 0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 55.07 3ila s HIS 151 Cb -0.14 -0.01 0.17 0.00 1.11 0.00 0.00 32.58 33.71 3ila s HIS 151 CO 0.12 -0.22 1.11 -1.25 -0.85 0.00 0.00 174.74 173.66 3ila s PRO 152 N -0.88 0.63 -0.20 8.40 0.04 -1.26 -0.50 135.00 141.24 3ila s PRO 152 Ca -0.10 0.38 0.08 0.00 0.04 0.00 0.00 61.00 61.40 3ila s PRO 152 Cb -0.05 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.54 3ila s PRO 152 CO 0.01 -2.56 -0.09 0.00 0.04 0.00 0.00 177.00 174.40 3ila n ALA 153 N -4.04 1.54 0.00 8.56 0.00 -1.26 -4.64 120.51 120.67 3ila n ALA 153 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3ila n ALA 153 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3ila n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ila n GLN 156 N -2.93 0.00 -3.34 0.00 10.64 -1.26 -5.03 117.38 115.46 3ila n GLN 156 Ca -0.35 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.46 3ila n GLN 156 Cb 0.99 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 30.31 3ila n GLN 156 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 3ila s ARG 157 N 0.00 4.03 0.34 2.61 1.70 -1.26 -5.10 118.95 121.27 3ila s ARG 157 Ca 0.00 0.54 0.07 0.00 -0.47 0.00 0.00 55.73 55.88 3ila s ARG 157 Cb 0.00 -3.02 -0.07 0.00 -0.57 0.00 0.00 34.95 31.30 3ila s ARG 157 CO 0.00 0.53 -0.03 -1.12 -1.08 0.00 0.00 175.30 173.59 3ila s SER 158 N -1.55 3.24 0.24 -2.89 0.01 -1.26 -4.84 113.70 106.66 3ila s SER 158 Ca 0.35 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 3ila s SER 158 Cb -0.16 -0.26 -0.09 0.00 0.21 0.00 0.00 66.02 65.71 3ila s SER 158 CO 0.19 -0.37 1.34 -0.70 0.41 0.00 0.00 173.24 174.11 3ila s GLU 159 N -3.72 4.35 0.00 12.44 2.56 -1.26 -2.93 118.70 130.15 3ila s GLU 159 Ca 0.33 2.15 0.00 0.00 0.00 0.00 0.00 54.97 57.45 3ila s GLU 159 Cb 0.06 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.04 3ila s GLU 159 CO 0.15 -0.28 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 3ila n GLY 160 N 1.97 2.99 3.76 -1.50 0.00 1.00 -4.96 105.19 108.44 3ila n GLY 160 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3ila n GLY 160 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ila s GLU 161 N -0.12 2.87 0.36 1.61 2.02 -1.15 -4.50 118.70 119.79 3ila s GLU 161 Ca 0.00 1.61 -0.27 0.00 0.02 0.00 0.00 54.97 56.33 3ila s GLU 161 Cb 0.00 -1.94 -0.09 0.00 0.10 0.00 0.00 34.13 32.20 3ila s GLU 161 CO 0.00 -1.23 1.28 -1.59 0.02 0.00 0.00 175.26 173.73 3ila s LYS 162 N -3.67 4.19 -0.44 1.61 0.00 -1.26 -0.74 119.74 119.42 3ila s LYS 162 Ca 0.72 2.13 -0.29 0.00 0.00 0.00 0.00 55.97 58.53 3ila s LYS 162 Cb -0.25 -2.92 0.02 0.00 0.00 0.00 0.00 37.83 34.69 3ila s LYS 162 CO 0.36 -0.29 1.18 0.08 0.00 0.00 0.00 175.35 176.67 3ila s VAL 163 N -1.22 4.20 0.49 1.79 1.01 0.25 -4.82 120.40 122.10 3ila s VAL 163 Ca 0.52 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 3ila s VAL 163 Cb -0.38 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.41 3ila s VAL 163 CO 0.49 -0.89 0.97 0.00 0.00 0.00 0.00 175.10 175.67 3ila s ARG 164 N 4.41 4.02 -0.04 2.72 1.70 -1.26 -1.16 118.95 129.35 3ila s ARG 164 Ca 0.50 0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 56.45 3ila s ARG 164 Cb -0.09 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 3ila s ARG 164 CO 0.29 -0.20 1.35 0.08 -1.08 0.00 0.00 175.30 175.75 3ila s VAL 165 N -2.49 3.91 0.00 4.99 1.01 0.44 -3.05 120.40 125.22 3ila s VAL 165 Ca 0.60 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3ila s VAL 165 Cb -0.10 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3ila s VAL 165 CO 0.26 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3ila n GLY 166 N 3.62 0.68 3.78 4.51 0.00 -1.26 -4.89 105.19 111.62 3ila n GLY 166 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.70 7.14 -0.01 1.61 1.11 -1.17 -4.95 116.67 117.71 3ila s ASP 167 Ca 0.00 1.90 -0.30 0.00 0.18 0.00 0.00 52.55 54.33 3ila s ASP 167 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 3ila s ASP 167 CO 0.00 -0.21 1.06 -1.81 1.18 0.00 0.00 175.17 175.39 3ila s ASP 168 N -1.61 7.25 0.34 0.27 1.01 -1.26 -4.34 116.67 118.32 3ila s ASP 168 Ca 0.53 1.74 0.08 0.00 0.71 0.00 0.00 52.55 55.61 3ila s ASP 168 Cb -0.19 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.10 3ila s ASP 168 CO 0.25 -0.38 -0.07 -0.76 0.21 0.00 0.00 175.17 174.43 3ila s LEU 169 N 1.31 2.68 -0.23 1.23 1.43 0.80 -4.11 118.68 121.78 3ila s LEU 169 Ca 0.53 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3ila s LEU 169 Cb -0.23 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.14 3ila s LEU 169 CO 0.26 -0.29 -0.12 -0.63 0.23 0.00 0.00 176.35 175.81 3ila s ILE 170 N -2.74 2.43 -0.30 -0.59 -1.09 0.35 -1.88 121.20 117.39 3ila s ILE 170 Ca 0.32 -1.14 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 3ila s ILE 170 Cb 0.04 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3ila s ILE 170 CO 0.16 0.26 0.19 -0.76 -1.23 0.00 0.00 174.94 173.56 3ila s LEU 171 N 1.26 4.13 -0.14 2.97 1.02 -1.26 -1.29 118.68 125.38 3ila s LEU 171 Ca -0.00 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.97 3ila s LEU 171 Cb -0.16 -2.10 -0.01 0.00 0.02 0.00 0.00 46.19 43.94 3ila s LEU 171 CO -0.07 -0.11 -0.16 -0.69 0.02 0.00 0.00 176.35 175.33 3ila s VAL 172 N 1.73 2.71 0.03 -1.59 1.01 -0.19 -1.60 120.40 122.50 3ila s VAL 172 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3ila s VAL 172 Cb -0.16 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 3ila s VAL 172 CO 0.10 0.52 1.49 -0.55 0.00 0.00 0.00 175.10 176.66 3ila s SER 173 N 0.59 6.76 0.33 3.32 0.15 0.64 0.03 113.70 125.53 3ila s SER 173 Ca -0.09 2.26 0.07 0.00 0.70 0.00 0.00 55.95 58.88 3ila s SER 173 Cb -0.16 -2.56 0.57 0.00 -1.71 0.00 0.00 66.02 62.15 3ila s SER 173 CO 0.03 -0.78 1.78 0.58 1.20 0.00 0.00 173.24 176.06 3ila h VAL 174 N 4.84 1.26 0.12 4.45 2.07 -1.65 0.14 116.25 127.47 3ila h VAL 174 Ca -0.40 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ila h VAL 174 Cb 1.19 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3ila h VAL 174 CO 0.91 0.37 -0.06 0.77 0.02 0.00 0.00 177.57 179.58 3ila h SER 175 N 0.24 -0.14 -0.01 0.57 4.64 -1.81 -3.39 113.55 113.67 3ila h SER 175 Ca 0.04 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3ila h SER 175 Cb 0.63 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3ila h SER 175 CO 0.05 0.46 -0.83 -1.54 -0.87 0.00 0.00 176.83 174.10 3ila n SER 176 N -4.87 1.33 -0.34 4.97 3.41 -1.23 -4.97 113.62 111.93 3ila n SER 176 Ca -0.08 -1.17 -0.04 0.00 -0.26 0.00 0.00 58.87 57.32 3ila n SER 176 Cb 0.27 0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.02 -1.53 -3.32 4.33 1.02 0.49 -4.99 120.64 115.63 3ila n GLU 177 Ca 0.06 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.52 3ila n GLU 177 Cb 0.37 -4.82 -0.02 0.00 -0.02 0.00 0.00 31.44 26.96 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 -2.10 3.56 0.20 3.49 0.52 -1.25 -4.72 118.95 118.64 3ila s ARG 178 Ca 0.00 -0.14 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 3ila s ARG 178 Cb 0.00 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 3ila s ARG 178 CO 0.00 0.16 0.52 0.71 0.02 0.00 0.00 175.30 176.72 3ila s TYR 179 N -2.22 3.47 -0.34 -0.53 2.02 -0.33 -0.26 117.35 119.16 3ila s TYR 179 Ca 0.42 0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 57.71 3ila s TYR 179 Cb -0.10 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 3ila s TYR 179 CO 0.34 0.33 1.71 -1.17 -1.57 0.00 0.00 175.55 175.18 3ila s LEU 180 N -2.58 3.54 -0.04 -1.29 2.96 -0.63 -2.67 118.68 117.98 3ila s LEU 180 Ca 0.44 1.23 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 3ila s LEU 180 Cb -0.12 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3ila s LEU 180 CO 0.21 -1.62 -0.22 -2.28 -1.32 0.00 0.00 176.35 171.12 3ila s HIS 181 N 6.45 2.47 -0.25 5.38 5.65 0.08 -3.77 115.29 131.30 3ila s HIS 181 Ca 0.75 -0.40 -0.23 0.00 0.25 0.00 0.00 55.06 55.43 3ila s HIS 181 Cb -0.21 -1.56 -0.01 0.00 -1.18 0.00 0.00 32.58 29.62 3ila s HIS 181 CO 0.33 -0.00 0.77 -1.17 -0.65 0.00 0.00 174.74 174.02 3ila s LEU 182 N -0.56 4.07 0.16 8.88 2.96 -1.26 -0.90 118.68 132.04 3ila s LEU 182 Ca 0.08 0.94 0.10 0.00 -0.22 0.00 0.00 54.13 55.03 3ila s LEU 182 Cb -0.11 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 3ila s LEU 182 CO 0.00 -0.48 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.40 3ila s SER 183 N 1.38 2.99 -0.12 3.68 1.04 0.09 -4.98 113.70 117.78 3ila s SER 183 Ca 0.32 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3ila s SER 183 Cb -0.15 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3ila s SER 183 CO 0.08 0.05 -0.15 0.42 0.98 0.00 0.00 173.24 174.62 3ila s THR 184 N -1.69 2.87 0.00 2.02 -4.23 -1.26 -0.28 115.64 113.07 3ila s THR 184 Ca 0.16 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3ila s THR 184 Cb -0.08 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3ila s THR 184 CO 0.07 0.54 0.02 0.61 -0.54 0.00 0.00 174.62 175.32 3ila n GLY 187 N 3.41 -0.13 0.00 3.99 0.00 -1.26 -5.00 105.19 106.20 3ila n GLY 187 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3ila n GLY 187 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ila n GLU 188 N -0.16 1.57 -2.44 1.61 0.28 -1.26 -5.02 120.64 115.22 3ila n GLU 188 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 3ila n GLU 188 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 3ila n GLU 188 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3ila s LEU 189 N 0.00 3.46 0.32 -1.84 1.43 -1.26 -4.95 118.68 115.84 3ila s LEU 189 Ca 0.00 0.35 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 3ila s LEU 189 Cb 0.00 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 3ila s LEU 189 CO 0.00 -1.58 0.05 -1.10 0.23 0.00 0.00 176.35 173.94 3ila s GLN 190 N 5.22 2.23 -0.10 1.70 -1.52 0.61 -4.25 119.66 123.56 3ila s GLN 190 Ca 0.51 -1.58 -0.00 0.00 -1.95 0.00 0.00 55.36 52.34 3ila s GLN 190 Cb -0.10 -2.08 0.02 0.00 -0.22 0.00 0.00 33.01 30.63 3ila s GLN 190 CO 0.27 0.20 -0.06 0.54 -0.25 0.00 0.00 175.29 176.00 3ila s VAL 191 N -2.43 0.83 0.04 1.09 0.11 -1.26 -0.73 120.40 118.05 3ila s VAL 191 Ca 0.35 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 3ila s VAL 191 Cb -0.03 -0.88 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 3ila s VAL 191 CO 0.20 0.33 0.02 -0.90 -3.33 0.00 0.00 175.10 171.43 3ila n ASP 192 N 4.88 0.63 -4.00 3.54 5.75 -0.08 -4.09 116.55 123.18 3ila n ASP 192 Ca -0.12 -1.25 -0.31 0.00 -0.01 0.00 0.00 54.79 53.10 3ila n ASP 192 Cb 0.50 0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 40.58 3ila n ASP 192 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ila s ALA 193 N -2.14 2.53 0.12 2.12 0.00 0.44 -0.74 121.76 124.09 3ila s ALA 193 Ca 0.03 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 49.99 3ila s ALA 193 Cb 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 3ila s ALA 193 CO 0.02 -1.44 0.05 -1.13 0.00 0.00 0.00 175.76 173.26 3ila n SER 194 N 4.42 0.96 -0.23 0.00 3.41 -1.09 -1.79 113.62 119.30 3ila n SER 194 Ca -0.05 -1.66 0.13 0.00 -0.26 0.00 0.00 58.87 57.02 3ila n SER 194 Cb 0.42 0.33 0.37 0.00 -0.26 0.00 0.00 64.21 65.07 3ila n SER 194 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ila n PHE 195 N -0.28 0.00 -2.88 7.33 3.72 -1.26 -1.19 117.46 122.90 3ila n PHE 195 Ca -0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 3ila n PHE 195 Cb 0.19 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 3ila n PHE 195 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3ila s MET 196 N -2.53 4.24 -0.06 -1.08 -1.94 -1.26 -4.93 119.30 111.74 3ila s MET 196 Ca 0.24 1.06 0.05 0.00 -1.71 0.00 0.00 55.69 55.33 3ila s MET 196 Cb 0.19 -2.35 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 3ila s MET 196 CO 0.53 0.07 -0.24 1.14 -0.01 0.00 0.00 175.02 176.51 3ila s GLN 197 N -2.92 2.54 0.02 2.03 -2.07 -1.26 -4.46 119.66 113.53 3ila s GLN 197 Ca 0.58 -0.86 0.05 0.00 -1.82 0.00 0.00 55.36 53.31 3ila s GLN 197 Cb -0.11 -2.10 -0.03 0.00 -1.09 0.00 0.00 33.01 29.68 3ila s GLN 197 CO 0.16 0.32 -0.11 0.99 -1.32 0.00 0.00 175.29 175.33 3ila s THR 198 N -0.03 3.34 0.04 3.63 2.01 -1.25 -4.99 115.64 118.41 3ila s THR 198 Ca -0.07 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 60.75 3ila s THR 198 Cb -0.14 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3ila s THR 198 CO 0.05 0.37 0.78 -0.76 -0.69 0.00 0.00 174.62 174.36 3ila s LEU 199 N -1.45 4.44 0.06 4.42 1.43 -1.26 -4.66 118.68 121.66 3ila s LEU 199 Ca 0.16 1.46 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 3ila s LEU 199 Cb -0.11 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3ila s LEU 199 CO 0.07 -0.00 -0.22 0.26 0.23 0.00 0.00 176.35 176.68 3ila s TRP 200 N 0.01 1.96 -0.05 0.29 0.52 -0.79 -4.41 118.94 116.47 3ila s TRP 200 Ca 0.39 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.16 3ila s TRP 200 Cb -0.20 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3ila s TRP 200 CO 0.23 0.13 -0.16 -0.80 0.02 0.00 0.00 176.95 176.37 3ila s ASN 201 N -1.34 3.89 -0.59 2.95 -0.87 0.10 -0.14 114.94 118.94 3ila s ASN 201 Ca 0.09 -0.24 -0.02 0.00 -1.57 0.00 0.00 52.86 51.11 3ila s ASN 201 Cb -0.09 -0.83 0.15 0.00 -0.02 0.00 0.00 41.25 40.46 3ila s ASN 201 CO 0.02 0.33 0.39 -0.04 -2.57 0.00 0.00 177.10 175.24 3ila s MET 202 N -0.65 2.45 -0.13 -0.60 -1.94 -1.26 -0.87 119.30 116.30 3ila s MET 202 Ca 0.10 -2.43 -0.17 0.00 -1.71 0.00 0.00 55.69 51.48 3ila s MET 202 Cb -0.11 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 3ila s MET 202 CO 0.01 -1.15 0.42 -0.80 -0.01 0.00 0.00 175.02 173.48 3ila s ASN 203 N 0.80 6.61 0.83 3.03 0.02 -0.82 -4.41 114.94 120.99 3ila s ASN 203 Ca 0.16 0.72 -0.12 0.00 -1.02 0.00 0.00 52.86 52.60 3ila s ASN 203 Cb -0.21 -2.25 0.09 0.00 0.02 0.00 0.00 41.25 38.90 3ila s ASN 203 CO -0.03 0.03 1.16 -2.16 0.02 0.00 0.00 177.10 176.11 3ila s PRO 204 N 0.57 1.83 0.00 -0.60 0.04 -1.26 -0.90 135.00 134.68 3ila s PRO 204 Ca 0.23 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3ila s PRO 204 Cb -0.14 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ila s PRO 204 CO 0.08 -1.71 0.00 0.44 0.04 0.00 0.00 177.00 175.85