#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 3.60 0.13 3.69 0.08 -1.26 -1.33 117.98 122.89 3ila s PHE 13 Ca 0.00 0.73 -0.30 0.00 0.12 0.00 0.00 56.93 57.48 3ila s PHE 13 Cb 0.00 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 3ila s PHE 13 CO 0.00 0.52 1.23 -0.51 -0.10 0.00 0.00 175.22 176.36 3ila s LEU 14 N -0.51 4.41 0.29 -0.37 1.43 -0.07 -4.87 118.68 118.99 3ila s LEU 14 Ca 0.19 2.16 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3ila s LEU 14 Cb -0.14 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3ila s LEU 14 CO 0.08 -0.45 0.03 -0.13 0.23 0.00 0.00 176.35 176.10 3ila s ARG 15 N 0.48 1.53 0.73 1.70 1.81 -1.26 -1.49 118.95 122.45 3ila s ARG 15 Ca 0.57 -1.82 -0.12 0.00 -1.72 0.00 0.00 55.73 52.64 3ila s ARG 15 Cb -0.32 -0.78 0.04 0.00 -0.45 0.00 0.00 34.95 33.43 3ila s ARG 15 CO 0.33 -0.14 1.10 0.95 -0.68 0.00 0.00 175.30 176.86 3ila s THR 16 N -3.33 3.23 -1.42 0.02 -4.23 -0.60 -3.64 115.64 105.66 3ila s THR 16 Ca 0.34 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 3ila s THR 16 Cb 0.07 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3ila s THR 16 CO 0.13 -0.45 0.12 0.47 -0.54 0.00 0.00 174.62 174.34 3ila n ASP 17 N -3.08 -5.11 -4.73 3.99 8.00 0.45 -4.67 116.55 111.41 3ila n ASP 17 Ca 0.10 -0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.18 3ila n ASP 17 Cb 0.52 -4.14 -0.08 0.00 -0.02 0.00 0.00 41.12 37.40 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 -2.35 6.05 -0.43 -2.24 1.01 -1.24 -4.87 116.67 112.61 3ila s ASP 18 Ca 0.06 0.23 -0.29 0.00 0.71 0.00 0.00 52.55 53.25 3ila s ASP 18 Cb -0.03 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.89 3ila s ASP 18 CO 0.07 0.22 1.26 -1.61 0.21 0.00 0.00 175.17 175.32 3ila s GLU 19 N 0.10 3.69 0.14 8.23 2.02 -1.26 -1.97 118.70 129.65 3ila s GLU 19 Ca 0.08 0.78 0.08 0.00 0.02 0.00 0.00 54.97 55.93 3ila s GLU 19 Cb -0.12 -3.95 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 3ila s GLU 19 CO -0.00 -1.42 -0.17 0.14 0.02 0.00 0.00 175.26 173.82 3ila s VAL 20 N 4.81 1.63 -0.12 2.63 -7.23 0.20 -4.27 120.40 118.05 3ila s VAL 20 Ca 0.54 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3ila s VAL 20 Cb -0.11 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.17 3ila s VAL 20 CO 0.31 -0.28 -0.22 0.68 -0.31 0.00 0.00 175.10 175.28 3ila s VAL 21 N -1.85 2.19 -0.32 1.32 -7.23 -0.10 -0.15 120.40 114.27 3ila s VAL 21 Ca 0.11 -0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 59.06 3ila s VAL 21 Cb -0.07 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.02 3ila s VAL 21 CO 0.05 0.55 0.94 -0.76 -0.31 0.00 0.00 175.10 175.56 3ila s LEU 22 N 0.54 4.01 0.13 1.32 1.02 -1.26 -1.91 118.68 122.55 3ila s LEU 22 Ca -0.13 0.85 0.09 0.00 0.02 0.00 0.00 54.13 54.96 3ila s LEU 22 Cb -0.17 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.69 3ila s LEU 22 CO 0.04 -0.76 -0.23 -1.10 0.02 0.00 0.00 176.35 174.33 3ila s GLN 23 N 3.32 1.28 0.24 1.70 -0.21 0.50 0.09 119.66 126.58 3ila s GLN 23 Ca 0.39 -1.30 -0.06 0.00 0.02 0.00 0.00 55.36 54.41 3ila s GLN 23 Cb -0.13 -1.58 -0.02 0.00 1.00 0.00 0.00 33.01 32.28 3ila s GLN 23 CO 0.14 0.36 0.33 0.00 -2.12 0.00 0.00 175.29 174.00 3ila s SER 25 N -3.11 4.55 -0.22 0.00 1.04 -1.26 -2.36 113.70 112.34 3ila s SER 25 Ca 0.31 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.36 3ila s SER 25 Cb 0.03 -1.00 0.06 0.00 0.10 0.00 0.00 66.02 65.20 3ila s SER 25 CO 0.12 0.25 0.55 0.00 0.98 0.00 0.00 173.24 175.14 3ila s ALA 26 N -1.06 -1.41 -0.18 5.32 0.00 -0.69 -4.98 121.76 118.76 3ila s ALA 26 Ca 0.18 1.78 -0.18 0.00 0.00 0.00 0.00 51.96 53.74 3ila s ALA 26 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3ila s ALA 26 CO 0.09 -0.29 0.48 0.95 0.00 0.00 0.00 175.76 177.00 3ila s THR 27 N 0.95 5.15 0.01 0.00 -4.23 -1.26 0.16 115.64 116.41 3ila s THR 27 Ca -0.05 0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 61.35 3ila s THR 27 Cb -0.05 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 3ila s THR 27 CO -0.08 0.23 -0.03 1.33 -0.54 0.00 0.00 174.62 175.53 3ila n VAL 28 N 4.25 0.43 -0.47 2.29 0.24 -1.26 -4.97 118.33 118.84 3ila n VAL 28 Ca -0.06 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3ila n VAL 28 Cb 0.51 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 3ila n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3ila n LEU 29 N -2.91 0.57 0.00 1.34 4.77 -1.26 -5.13 117.00 114.38 3ila n LEU 29 Ca -0.01 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3ila n LEU 29 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ila n LEU 29 CO 0.02 0.14 0.00 -1.84 -1.33 0.00 0.00 177.39 174.38 3ila n GLU 31 N -0.02 0.00 -2.72 3.23 0.28 -1.26 -5.17 120.64 114.98 3ila n GLU 31 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 3ila n GLU 31 Cb 0.13 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.98 3ila n GLU 31 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3ila s GLN 32 N -3.51 4.32 -0.00 3.44 1.11 -1.26 -4.30 119.66 119.45 3ila s GLN 32 Ca 0.00 1.29 0.00 0.00 0.01 0.00 0.00 55.36 56.67 3ila s GLN 32 Cb 0.00 -3.60 -0.04 0.00 -1.01 0.00 0.00 33.01 28.37 3ila s GLN 32 CO 0.00 -0.47 0.04 -0.51 0.01 0.00 0.00 175.29 174.37 3ila s LEU 33 N 2.60 3.72 -0.95 2.90 1.43 0.12 -4.95 118.68 123.55 3ila s LEU 33 Ca 0.44 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3ila s LEU 33 Cb -0.16 -2.15 0.25 0.00 0.03 0.00 0.00 46.19 44.16 3ila s LEU 33 CO 0.11 0.28 0.96 2.29 0.23 0.00 0.00 176.35 180.22 3ila n LYS 34 N 1.28 3.11 -2.80 1.70 -0.00 -1.26 -1.71 118.16 118.48 3ila n LYS 34 Ca -0.14 -4.51 -0.36 0.00 -0.00 0.00 0.00 58.31 53.31 3ila n LYS 34 Cb 0.53 -2.44 -0.07 0.00 -0.00 0.00 0.00 35.03 33.05 3ila n LYS 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ila s LEU 35 N -1.69 4.24 0.04 -5.58 1.43 -0.99 -2.75 118.68 113.37 3ila s LEU 35 Ca 0.30 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.22 3ila s LEU 35 Cb -0.04 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 3ila s LEU 35 CO -0.07 -0.14 -0.10 0.00 0.23 0.00 0.00 176.35 176.27 3ila n LEU 37 N 1.85 3.76 -3.98 0.00 7.94 0.11 -1.32 117.00 125.36 3ila n LEU 37 Ca -0.19 1.10 -0.13 0.00 -1.11 0.00 0.00 56.01 55.68 3ila n LEU 37 Cb 0.55 -1.52 -0.13 0.00 0.53 0.00 0.00 43.42 42.85 3ila n LEU 37 CO 0.22 -0.04 -0.39 0.00 -1.11 0.00 0.00 177.39 176.07 3ila s ALA 38 N 0.56 0.33 -0.17 1.96 0.00 -0.46 -4.34 121.76 119.64 3ila s ALA 38 Ca 0.71 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 3ila s ALA 38 Cb -0.56 0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3ila s ALA 38 CO 0.41 -0.01 0.43 0.00 0.00 0.00 0.00 175.76 176.58 3ila s ALA 39 N -0.82 -1.07 0.06 0.00 0.00 -0.31 -0.33 121.76 119.28 3ila s ALA 39 Ca -0.06 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.34 3ila s ALA 39 Cb -0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3ila s ALA 39 CO -0.00 -0.24 -0.12 -1.21 0.00 0.00 0.00 175.76 174.19 3ila s GLU 40 N 0.79 2.18 -0.22 0.00 2.02 -1.26 -4.45 118.70 117.76 3ila s GLU 40 Ca -0.05 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.02 3ila s GLU 40 Cb -0.05 -2.30 0.35 0.00 0.10 0.00 0.00 34.13 32.23 3ila s GLU 40 CO -0.06 0.54 1.43 0.41 0.02 0.00 0.00 175.26 177.60 3ila n GLY 41 N 1.16 3.17 2.69 -1.39 0.00 -1.26 -4.20 105.19 105.35 3ila n GLY 41 Ca -0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 3ila n GLY 41 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3ila n PHE 42 N -0.27 -1.20 0.00 1.61 -1.74 -1.26 -5.11 117.46 109.50 3ila n PHE 42 Ca 0.29 -2.21 0.00 0.00 -0.56 0.00 0.00 57.45 54.97 3ila n PHE 42 Cb 1.06 0.91 0.00 0.00 1.52 0.00 0.00 39.48 42.98 3ila n PHE 42 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3ila n ARG 45 N -0.44 0.00 -2.06 3.97 3.00 -1.26 -5.18 116.66 114.68 3ila n ARG 45 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.44 3ila n ARG 45 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.28 3ila n ARG 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ila s LEU 46 N 0.00 4.41 0.24 0.55 1.02 -1.26 -2.90 118.68 120.73 3ila s LEU 46 Ca 0.00 2.72 -0.30 0.00 0.02 0.00 0.00 54.13 56.57 3ila s LEU 46 Cb 0.00 -3.64 -0.09 0.00 0.02 0.00 0.00 46.19 42.48 3ila s LEU 46 CO 0.00 -0.60 1.05 0.00 0.02 0.00 0.00 176.35 176.81 3ila n PHE 48 N 1.60 -0.09 -4.17 0.00 1.16 0.55 -3.86 117.46 112.65 3ila n PHE 48 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.41 3ila n PHE 48 Cb 0.46 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.18 3ila n PHE 48 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ila s LEU 49 N 0.00 1.89 -0.12 5.98 1.43 -1.26 -1.35 118.68 125.25 3ila s LEU 49 Ca 0.00 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3ila s LEU 49 Cb 0.00 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3ila s LEU 49 CO 0.00 0.05 -0.21 -1.83 0.23 0.00 0.00 176.35 174.58 3ila s GLU 50 N 0.04 2.86 0.34 1.70 1.03 -0.43 -4.93 118.70 119.31 3ila s GLU 50 Ca -0.00 -0.80 -0.07 0.00 0.03 0.00 0.00 54.97 54.13 3ila s GLU 50 Cb -0.04 -2.28 -0.06 0.00 -0.80 0.00 0.00 34.13 30.95 3ila s GLU 50 CO -0.00 0.03 0.65 -1.25 -1.33 0.00 0.00 175.26 173.36 3ila s PRO 51 N 0.70 3.70 0.02 -4.83 0.04 -1.26 -1.03 135.00 132.33 3ila s PRO 51 Ca -0.11 0.20 0.08 0.00 0.04 0.00 0.00 61.00 61.22 3ila s PRO 51 Cb -0.16 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3ila s PRO 51 CO 0.01 0.11 -0.25 0.95 0.04 0.00 0.00 177.00 177.86 3ila s THR 52 N -2.21 2.01 -0.06 1.26 -4.23 -1.11 -4.97 115.64 106.33 3ila s THR 52 Ca 0.47 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.46 3ila s THR 52 Cb -0.11 -1.70 0.11 0.00 1.34 0.00 0.00 72.50 72.15 3ila s THR 52 CO 0.30 0.43 1.35 -2.16 -0.54 0.00 0.00 174.62 174.01 3ila s PRO 60 N -0.94 0.19 -0.17 3.99 0.04 -1.26 -5.02 135.00 131.83 3ila s PRO 60 Ca 0.10 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.03 3ila s PRO 60 Cb -0.10 0.06 0.04 0.00 0.04 0.00 0.00 34.50 34.54 3ila s PRO 60 CO 0.01 -0.09 -0.08 0.34 0.04 0.00 0.00 177.00 177.22 3ila s ASP 61 N -3.57 3.01 0.37 6.66 3.68 -1.26 -5.02 116.67 120.53 3ila s ASP 61 Ca 0.25 -0.72 0.20 0.00 2.13 0.00 0.00 52.55 54.41 3ila s ASP 61 Cb 0.02 -1.05 0.46 0.00 -1.45 0.00 0.00 42.92 40.90 3ila s ASP 61 CO -0.03 -0.16 1.63 0.17 0.13 0.00 0.00 175.17 176.91 3ila h LEU 62 N 8.06 0.00 0.30 -1.34 8.10 -2.01 -3.20 115.31 125.22 3ila h LEU 62 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 3ila h LEU 62 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.33 3ila h LEU 62 CO 0.44 0.31 -0.15 0.00 -4.11 0.00 0.00 178.44 174.93 3ila h ALA 63 N 1.69 -0.41 0.00 0.17 0.00 -1.95 -1.18 119.26 117.58 3ila h ALA 63 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ila h ALA 63 Cb 1.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ila h ALA 63 CO 0.04 -0.73 -0.20 -0.84 0.00 0.00 0.00 179.25 177.52 3ila h ILE 64 N -0.41 0.35 0.02 0.00 3.07 -1.78 -3.32 117.51 115.44 3ila h ILE 64 Ca -0.04 -1.46 -0.34 0.00 1.55 0.00 0.00 64.86 64.57 3ila h ILE 64 Cb 0.32 2.14 -0.05 0.00 -0.27 0.00 0.00 36.82 38.95 3ila h ILE 64 CO 0.07 0.20 -2.04 0.00 -1.05 0.00 0.00 178.15 175.33 3ila s PHE 67 N 0.88 1.72 -0.13 0.00 0.08 0.79 -2.04 117.98 119.27 3ila s PHE 67 Ca 0.57 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 3ila s PHE 67 Cb -0.29 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 3ila s PHE 67 CO 0.30 0.19 -0.07 0.95 -0.10 0.00 0.00 175.22 176.49 3ila s THR 68 N -1.22 3.63 -0.93 0.64 -4.23 0.11 0.59 115.64 114.23 3ila s THR 68 Ca 0.06 -0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 59.87 3ila s THR 68 Cb -0.10 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3ila s THR 68 CO 0.04 0.52 1.61 -0.76 -0.54 0.00 0.00 174.62 175.49 3ila s LEU 69 N 0.17 3.35 -0.05 4.79 1.43 -0.83 -1.96 118.68 125.59 3ila s LEU 69 Ca -0.04 -1.02 -0.26 0.00 -1.03 0.00 0.00 54.13 51.79 3ila s LEU 69 Cb -0.14 -2.56 -0.22 0.00 0.03 0.00 0.00 46.19 43.30 3ila s LEU 69 CO 0.03 -1.98 1.13 -0.08 0.23 0.00 0.00 176.35 175.69 3ila h GLU 70 N 10.57 0.05 -3.87 1.70 4.81 -1.29 1.31 114.58 127.87 3ila h GLU 70 Ca 0.10 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 3ila h GLU 70 Cb 1.02 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.22 3ila h GLU 70 CO 1.34 0.67 -0.60 -0.65 -0.73 0.00 0.00 179.01 179.04 3ila s GLN 71 N -3.67 0.48 -0.37 1.92 -0.21 -1.24 -4.55 119.66 112.02 3ila s GLN 71 Ca -0.16 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.52 3ila s GLN 71 Cb 0.01 0.18 0.14 0.00 1.00 0.00 0.00 33.01 34.34 3ila s GLN 71 CO 0.69 -0.10 0.22 0.45 -2.12 0.00 0.00 175.29 174.42 3ila s SER 72 N -1.87 3.10 0.15 5.90 0.15 -1.26 -2.15 113.70 117.72 3ila s SER 72 Ca -0.09 -2.28 0.05 0.00 0.70 0.00 0.00 55.95 54.33 3ila s SER 72 Cb -0.04 -0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 3ila s SER 72 CO -0.03 -0.30 0.10 -0.76 1.20 0.00 0.00 173.24 173.45 3ila s LEU 73 N 0.92 3.70 0.68 3.45 1.43 -0.99 -4.93 118.68 122.94 3ila s LEU 73 Ca 0.18 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 3ila s LEU 73 Cb -0.23 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3ila s LEU 73 CO 0.01 0.09 1.06 -0.55 0.23 0.00 0.00 176.35 177.18 3ila s SER 74 N -2.97 5.50 0.23 2.29 0.15 -1.26 -1.04 113.70 116.60 3ila s SER 74 Ca 0.30 1.60 -0.07 0.00 0.70 0.00 0.00 55.95 58.47 3ila s SER 74 Cb -0.10 -2.49 0.25 0.00 -1.71 0.00 0.00 66.02 61.96 3ila s SER 74 CO 0.22 -1.36 1.88 0.58 1.20 0.00 0.00 173.24 175.76 3ila h VAL 75 N -0.64 1.15 -0.11 4.45 2.07 -1.97 0.17 116.25 121.37 3ila h VAL 75 Ca -0.44 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 3ila h VAL 75 Cb 1.21 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ila h VAL 75 CO 0.57 0.20 -0.44 0.03 0.02 0.00 0.00 177.57 177.95 3ila h ARG 76 N 1.08 0.27 0.00 1.57 -0.00 -1.96 -3.01 114.38 112.32 3ila h ARG 76 Ca 0.33 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 3ila h ARG 76 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.96 3ila h ARG 76 CO -0.11 0.66 -0.24 0.00 0.00 0.00 0.00 179.97 180.28 3ila h ALA 77 N 1.32 0.87 0.05 0.04 0.00 -1.75 -3.35 119.26 116.44 3ila h ALA 77 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3ila h ALA 77 Cb 0.87 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ila h ALA 77 CO 0.07 0.00 -0.80 1.25 0.00 0.00 0.00 179.25 179.77 3ila h LEU 78 N 0.00 0.62 -1.00 0.00 5.85 -0.55 -3.30 115.31 116.93 3ila h LEU 78 Ca 0.00 -0.81 -0.06 0.00 0.84 0.00 0.00 57.88 57.85 3ila h LEU 78 Cb 0.88 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3ila h LEU 78 CO 0.00 1.36 0.07 1.56 -0.34 0.00 0.00 178.44 181.09 3ila h GLN 79 N -0.05 0.80 0.00 1.25 7.50 -1.68 -2.57 115.11 120.36 3ila h GLN 79 Ca -0.11 -0.18 -0.09 0.00 0.50 0.00 0.00 58.65 58.77 3ila h GLN 79 Cb 1.53 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.93 3ila h GLN 79 CO 0.16 0.75 -0.42 0.93 -1.50 0.00 0.00 178.83 178.75 3ila h GLU 80 N 0.76 0.00 -0.25 1.46 5.08 -1.71 -1.17 114.58 118.75 3ila h GLU 80 Ca 0.16 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3ila h GLU 80 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3ila h GLU 80 CO 0.01 0.42 -0.43 0.52 -1.00 0.00 0.00 179.01 178.52 3ila h MET 81 N 0.00 0.61 0.00 2.33 2.86 -1.54 -3.02 114.93 116.17 3ila h MET 81 Ca -0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3ila h MET 81 Cb 0.78 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3ila h MET 81 CO 0.05 0.92 -0.33 1.28 1.06 0.00 0.00 176.91 179.90 3ila n LEU 82 N -4.02 0.64 0.12 1.22 7.99 -1.09 -5.13 117.00 116.73 3ila n LEU 82 Ca -0.02 0.35 -0.02 0.00 -0.01 0.00 0.00 56.01 56.32 3ila n LEU 82 Cb 0.54 -0.27 0.11 0.00 -0.11 0.00 0.00 43.42 43.68 3ila n LEU 82 CO 0.46 -0.07 0.43 0.00 -1.51 0.00 0.00 177.39 176.70 3ila h ALA 83 N 2.63 0.80 -1.40 -1.18 0.00 -1.09 -3.50 119.26 115.51 3ila h ALA 83 Ca 0.00 -0.62 -0.51 0.00 0.00 0.00 0.00 54.91 53.78 3ila h ALA 83 Cb 0.69 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3ila h ALA 83 CO 0.00 0.85 1.22 -1.01 0.00 0.00 0.00 179.25 180.30 3ila s HIS 98 N -3.34 1.94 -0.09 0.00 4.02 -1.26 -4.97 115.29 111.60 3ila s HIS 98 Ca -0.00 0.39 -0.01 0.00 1.02 0.00 0.00 55.06 56.46 3ila s HIS 98 Cb 0.11 -4.33 -0.03 0.00 -1.02 0.00 0.00 32.58 27.32 3ila s HIS 98 CO 0.77 -2.19 -0.04 -0.98 1.02 0.00 0.00 174.74 173.32 3ila s ARG 99 N 6.45 2.98 0.15 1.40 1.70 -1.26 -4.85 118.95 125.52 3ila s ARG 99 Ca 0.53 -0.49 -0.30 0.00 -0.47 0.00 0.00 55.73 54.99 3ila s ARG 99 Cb -0.10 -2.71 -0.08 0.00 -0.57 0.00 0.00 34.95 31.49 3ila s ARG 99 CO 0.17 0.61 1.30 0.99 -1.08 0.00 0.00 175.30 177.29 3ila s THR 100 N -0.65 3.42 0.09 4.99 2.01 -1.26 -1.56 115.64 122.68 3ila s THR 100 Ca 0.10 1.10 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 3ila s THR 100 Cb -0.12 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 3ila s THR 100 CO 0.02 0.13 1.32 -0.76 -0.69 0.00 0.00 174.62 174.64 3ila s LEU 101 N 0.39 4.37 0.08 4.42 1.02 -0.55 -4.95 118.68 123.45 3ila s LEU 101 Ca 0.59 2.21 0.08 0.00 0.02 0.00 0.00 54.13 57.03 3ila s LEU 101 Cb -0.35 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.24 3ila s LEU 101 CO 0.34 -0.59 -0.20 -0.76 0.02 0.00 0.00 176.35 175.16 3ila s LEU 102 N 1.11 2.53 0.20 1.79 1.43 -1.26 -0.29 118.68 124.19 3ila s LEU 102 Ca 0.62 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.88 3ila s LEU 102 Cb -0.34 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3ila s LEU 102 CO 0.30 0.22 1.53 -0.31 0.23 0.00 0.00 176.35 178.32 3ila s TYR 103 N -0.99 3.03 0.00 0.29 2.02 -0.08 -2.81 117.35 118.82 3ila s TYR 103 Ca 0.15 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 3ila s TYR 103 Cb -0.10 -3.90 0.00 0.00 -0.40 0.00 0.00 41.96 37.55 3ila s TYR 103 CO 0.06 -3.19 0.00 0.41 -1.57 0.00 0.00 175.55 171.26 3ila n GLY 104 N 3.18 0.97 3.65 0.71 0.00 -0.06 -1.13 105.19 112.51 3ila n GLY 104 Ca 0.11 -0.01 -0.31 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 -2.00 2.93 -0.10 1.61 3.76 -1.12 -4.43 115.29 115.94 3ila s HIS 105 Ca 0.00 -0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 54.66 3ila s HIS 105 Cb 0.00 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 3ila s HIS 105 CO 0.00 0.45 0.61 0.00 -0.85 0.00 0.00 174.74 174.95 3ila s ALA 106 N -1.21 3.41 0.04 -1.40 0.00 -0.21 -1.64 121.76 120.74 3ila s ALA 106 Ca 0.23 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3ila s ALA 106 Cb -0.11 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3ila s ALA 106 CO 0.15 -0.12 -0.03 0.96 0.00 0.00 0.00 175.76 176.72 3ila s ILE 107 N 0.87 3.88 -0.24 0.00 -4.36 0.80 -2.34 121.20 119.81 3ila s ILE 107 Ca 0.32 -0.83 -0.07 0.00 -0.26 0.00 0.00 60.65 59.81 3ila s ILE 107 Cb -0.17 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 3ila s ILE 107 CO 0.14 0.29 0.07 -0.22 0.24 0.00 0.00 174.94 175.46 3ila s LEU 108 N -1.78 3.51 -0.28 0.37 2.96 -0.91 -2.16 118.68 120.38 3ila s LEU 108 Ca 0.21 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3ila s LEU 108 Cb -0.11 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3ila s LEU 108 CO 0.12 -0.01 0.02 -0.76 -1.32 0.00 0.00 176.35 174.40 3ila s LEU 109 N 1.46 3.68 -0.24 -0.68 1.43 -1.26 -0.74 118.68 122.33 3ila s LEU 109 Ca 0.06 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.17 3ila s LEU 109 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3ila s LEU 109 CO 0.04 -0.19 0.12 -0.60 0.23 0.00 0.00 176.35 175.94 3ila s ARG 110 N 1.39 3.89 0.45 1.70 3.52 -0.83 -1.30 118.95 127.79 3ila s ARG 110 Ca 0.00 -0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 54.99 3ila s ARG 110 Cb -0.18 -3.43 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 3ila s ARG 110 CO -0.00 -0.03 1.41 -1.58 -0.81 0.00 0.00 175.30 174.28 3ila s HIS 111 N 1.25 2.49 -0.09 5.12 5.65 0.20 -0.72 115.29 129.21 3ila s HIS 111 Ca 0.06 1.29 -0.27 0.00 0.25 0.00 0.00 55.06 56.39 3ila s HIS 111 Cb -0.14 -3.88 -0.23 0.00 -1.18 0.00 0.00 32.58 27.15 3ila s HIS 111 CO 0.05 -2.83 0.96 0.00 -0.65 0.00 0.00 174.74 172.28 3ila h ALA 112 N 2.32 -0.01 -0.01 1.58 0.00 -1.66 -2.74 119.26 118.74 3ila h ALA 112 Ca -0.51 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 3ila h ALA 112 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ila h ALA 112 CO 0.61 -0.12 -0.31 1.25 0.00 0.00 0.00 179.25 180.69 3ila h HIS 113 N -0.79 0.33 -0.00 0.00 -0.00 -1.84 -3.33 115.15 109.53 3ila h HIS 113 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 3ila h HIS 113 Cb 0.76 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3ila h HIS 113 CO 0.19 0.96 -0.46 -1.13 -0.00 0.00 0.00 177.93 177.49 3ila n SER 114 N -4.46 0.47 0.00 3.26 3.41 -1.26 -4.93 113.62 110.11 3ila n SER 114 Ca -0.10 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3ila n SER 114 Cb 0.52 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.48 -1.19 -2.13 4.33 -4.01 -1.03 -4.97 116.66 106.17 3ila n ARG 115 Ca 0.06 0.30 -0.27 0.00 -1.04 0.00 0.00 57.85 56.89 3ila n ARG 115 Cb 0.34 -4.70 0.13 0.00 -3.04 0.00 0.00 32.46 25.19 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 -1.54 1.35 -0.08 2.89 -1.94 -1.26 -4.70 119.30 114.02 3ila s MET 116 Ca 0.00 -0.48 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 3ila s MET 116 Cb 0.00 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.79 3ila s MET 116 CO 0.00 -1.86 -0.16 0.71 -0.01 0.00 0.00 175.02 173.71 3ila s TYR 117 N -3.55 2.70 -0.08 -0.03 2.02 0.92 0.62 117.35 119.95 3ila s TYR 117 Ca 0.68 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 3ila s TYR 117 Cb -0.06 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3ila s TYR 117 CO 0.49 -0.02 1.44 -1.17 -1.57 0.00 0.00 175.55 174.71 3ila s LEU 118 N -0.24 4.27 0.24 -1.29 2.96 -0.42 -0.22 118.68 123.98 3ila s LEU 118 Ca 0.01 2.00 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 3ila s LEU 118 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3ila s LEU 118 CO 0.03 -0.81 0.13 -0.94 -1.32 0.00 0.00 176.35 173.44 3ila s SER 119 N 2.43 0.80 -0.44 3.68 1.04 -0.62 -4.57 113.70 116.02 3ila s SER 119 Ca 0.64 -1.43 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 3ila s SER 119 Cb -0.28 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.17 3ila s SER 119 CO 0.23 -0.81 0.58 0.00 0.98 0.00 0.00 173.24 174.22 3ila s LEU 121 N 2.59 2.16 -0.21 0.00 1.43 -0.53 -4.89 118.68 119.23 3ila s LEU 121 Ca 0.19 0.72 0.15 0.00 -1.03 0.00 0.00 54.13 54.16 3ila s LEU 121 Cb -0.15 -2.96 0.60 0.00 0.03 0.00 0.00 46.19 43.71 3ila s LEU 121 CO 0.17 -2.60 1.52 1.07 0.23 0.00 0.00 176.35 176.74 3ila n THR 122 N -3.76 2.46 -4.25 5.49 5.66 -1.26 -4.39 114.28 114.23 3ila n THR 122 Ca 0.10 -1.86 -0.24 0.00 -3.05 0.00 0.00 64.05 58.99 3ila n THR 122 Cb 0.60 -0.28 -0.08 0.00 -1.55 0.00 0.00 70.33 69.02 3ila n THR 122 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ila s THR 123 N -2.88 2.77 0.00 1.09 -4.23 -1.26 -4.97 115.64 106.16 3ila s THR 123 Ca 0.46 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3ila s THR 123 Cb 0.37 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3ila s THR 123 CO 0.10 -0.19 0.00 -1.20 -0.54 0.00 0.00 174.62 172.78 3ila n SER 124 N -1.03 0.29 0.00 3.99 7.64 -1.26 0.51 113.62 123.76 3ila n SER 124 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3ila n SER 124 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 -3.95 -3.43 4.32 -1.26 -4.89 117.00 107.80 3ila n LEU 131 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 3ila n LEU 131 Cb 0.00 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.64 3ila n LEU 131 CO 0.00 0.00 -0.42 0.00 -1.22 0.00 0.00 177.39 175.75 3ila s ALA 132 N 0.00 0.70 0.26 -1.18 0.00 -1.26 -4.93 121.76 115.36 3ila s ALA 132 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 3ila s ALA 132 Cb 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.71 3ila s ALA 132 CO 0.00 0.07 0.61 -0.06 0.00 0.00 0.00 175.76 176.38 3ila s PHE 133 N 0.46 3.41 0.68 0.00 0.08 -0.55 -4.87 117.98 117.19 3ila s PHE 133 Ca -0.06 0.99 -0.13 0.00 0.12 0.00 0.00 56.93 57.85 3ila s PHE 133 Cb -0.10 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3ila s PHE 133 CO 0.00 0.21 1.08 -0.51 -0.10 0.00 0.00 175.22 175.90 3ila s ASP 134 N -2.34 5.22 -0.17 1.36 1.01 0.18 0.21 116.67 122.14 3ila s ASP 134 Ca 0.50 1.80 0.01 0.00 0.71 0.00 0.00 52.55 55.57 3ila s ASP 134 Cb -0.11 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3ila s ASP 134 CO 0.20 -1.55 -0.20 -0.69 0.21 0.00 0.00 175.17 173.14 3ila s VAL 135 N -2.71 2.12 0.00 -1.27 1.01 -1.25 -1.45 120.40 116.85 3ila s VAL 135 Ca 0.62 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3ila s VAL 135 Cb -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3ila s VAL 135 CO 0.48 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.72 3ila n GLY 136 N 4.51 3.40 3.90 4.51 0.00 -1.17 -1.43 105.19 118.91 3ila n GLY 136 Ca -0.21 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 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 4.32 -0.07 0.99 1.43 -1.14 -1.59 118.68 122.61 3ila s LEU 137 Ca 0.00 0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3ila s LEU 137 Cb 0.00 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.21 3ila s LEU 137 CO 0.00 0.14 0.19 -1.10 0.23 0.00 0.00 176.35 175.82 3ila s GLN 138 N -2.36 0.23 -0.24 1.70 -1.52 0.69 -4.32 119.66 113.83 3ila s GLN 138 Ca 0.36 0.27 0.08 0.00 -1.95 0.00 0.00 55.36 54.12 3ila s GLN 138 Cb -0.13 0.11 0.61 0.00 -0.22 0.00 0.00 33.01 33.38 3ila s GLN 138 CO 0.23 -0.03 1.56 0.39 -0.25 0.00 0.00 175.29 177.20 3ila n GLU 139 N 2.97 3.39 -3.78 2.91 1.02 -1.26 -0.05 120.64 125.84 3ila n GLU 139 Ca -0.13 -2.45 -0.30 0.00 -0.02 0.00 0.00 57.16 54.27 3ila n GLU 139 Cb 0.59 -2.05 -0.15 0.00 -0.02 0.00 0.00 31.44 29.81 3ila n GLU 139 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3ila s ASP 140 N -0.67 4.11 0.10 1.62 3.84 -1.26 -4.97 116.67 119.44 3ila s ASP 140 Ca 0.44 -1.82 0.22 0.00 -0.00 0.00 0.00 52.55 51.39 3ila s ASP 140 Cb 0.34 -1.00 0.88 0.00 -1.38 0.00 0.00 42.92 41.77 3ila s ASP 140 CO 0.11 -0.40 1.68 0.00 -0.00 0.00 0.00 175.17 176.57 3ila n ALA 141 N 4.63 1.91 -2.27 2.11 0.00 -1.26 -4.67 120.51 120.97 3ila n ALA 141 Ca -0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 3ila n ALA 141 Cb 0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3ila n ALA 141 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ila s THR 142 N -3.09 3.81 0.00 0.00 -1.32 -1.26 -4.83 115.64 108.95 3ila s THR 142 Ca 0.08 0.83 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 3ila s THR 142 Cb 0.12 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 3ila s THR 142 CO 0.41 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 3ila n GLY 143 N 5.12 4.03 0.02 6.08 0.00 -1.26 -4.90 105.19 114.28 3ila n GLY 143 Ca 0.18 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.66 0.05 0.23 1.61 1.02 -1.26 -3.97 120.64 116.66 3ila n GLU 144 Ca 0.00 0.12 0.06 0.00 -0.02 0.00 0.00 57.16 57.32 3ila n GLU 144 Cb 0.00 -1.57 0.52 0.00 -0.02 0.00 0.00 31.44 30.37 3ila n GLU 144 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ila h ALA 145 N 2.76 1.57 0.00 0.62 0.00 -1.90 -2.79 119.26 119.52 3ila h ALA 145 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ila h ALA 145 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ila h ALA 145 CO 0.00 0.25 -0.39 0.00 0.00 0.00 0.00 179.25 179.11 3ila s TRP 147 N -3.19 3.70 -0.06 0.00 0.52 -1.05 -4.38 118.94 114.47 3ila s TRP 147 Ca 0.06 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.15 3ila s TRP 147 Cb 0.11 -2.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.16 3ila s TRP 147 CO 0.69 0.61 -0.08 -1.58 0.02 0.00 0.00 176.95 176.60 3ila s TRP 148 N -0.93 1.14 -0.01 -1.98 0.52 -0.92 -2.40 118.94 114.36 3ila s TRP 148 Ca 0.23 -0.40 -0.21 0.00 0.02 0.00 0.00 56.10 55.74 3ila s TRP 148 Cb -0.16 -0.90 -0.05 0.00 -1.15 0.00 0.00 33.47 31.21 3ila s TRP 148 CO 0.12 -0.25 0.63 0.95 0.02 0.00 0.00 176.95 178.42 3ila s THR 149 N 0.84 4.91 -0.01 2.01 -4.23 0.13 -0.14 115.64 119.16 3ila s THR 149 Ca -0.12 1.31 -0.21 0.00 -1.18 0.00 0.00 61.69 61.49 3ila s THR 149 Cb -0.15 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.67 3ila s THR 149 CO 0.01 0.38 0.62 -0.04 -0.54 0.00 0.00 174.62 175.06 3ila s MET 150 N -0.00 4.35 0.01 3.99 1.00 -0.65 -0.55 119.30 127.44 3ila s MET 150 Ca 0.33 0.77 0.01 0.00 0.00 0.00 0.00 55.69 56.80 3ila s MET 150 Cb -0.18 -3.36 -0.01 0.00 0.00 0.00 0.00 34.83 31.28 3ila s MET 150 CO 0.18 0.33 -0.04 -1.01 0.00 0.00 0.00 175.02 174.48 3ila s HIS 151 N -0.06 0.33 0.41 -0.03 3.76 0.13 -0.88 115.29 118.95 3ila s HIS 151 Ca 0.32 -0.22 -0.24 0.00 -0.15 0.00 0.00 55.06 54.78 3ila s HIS 151 Cb -0.18 -0.21 -0.09 0.00 1.11 0.00 0.00 32.58 33.21 3ila s HIS 151 CO 0.18 -0.05 1.08 -1.25 -0.85 0.00 0.00 174.74 173.84 3ila s PRO 152 N -0.60 4.07 -0.18 8.40 0.04 -1.26 -0.19 135.00 145.28 3ila s PRO 152 Ca -0.04 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 3ila s PRO 152 Cb -0.04 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.86 3ila s PRO 152 CO -0.00 -0.24 0.04 0.00 0.04 0.00 0.00 177.00 176.84 3ila n ALA 153 N -0.16 0.66 -1.62 8.56 0.00 -1.22 -4.75 120.51 121.98 3ila n ALA 153 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 3ila n ALA 153 Cb 0.49 -0.31 0.03 0.00 0.00 0.00 0.00 19.45 19.66 3ila n ALA 153 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ila s SER 154 N -6.41 5.61 -1.06 0.00 0.15 -1.26 -5.10 113.70 105.63 3ila s SER 154 Ca -0.23 1.76 -0.05 0.00 0.70 0.00 0.00 55.95 58.12 3ila s SER 154 Cb 0.05 -2.52 0.29 0.00 -1.71 0.00 0.00 66.02 62.12 3ila s SER 154 CO 0.44 -1.28 1.26 2.29 1.20 0.00 0.00 173.24 177.15 3ila n LYS 155 N -2.42 3.91 -1.25 5.44 0.00 -1.26 -4.65 118.16 117.93 3ila n LYS 155 Ca 0.08 -4.52 0.00 0.00 -0.00 0.00 0.00 58.31 53.87 3ila n LYS 155 Cb 0.53 -2.51 0.00 0.00 -0.00 0.00 0.00 35.03 33.05 3ila n LYS 155 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3ila n ARG 157 N 1.89 0.00 -4.08 -1.58 -4.01 -1.26 -5.19 116.66 102.43 3ila n ARG 157 Ca 0.25 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.96 3ila n ARG 157 Cb 0.36 -0.42 -0.07 0.00 -3.04 0.00 0.00 32.46 29.29 3ila n ARG 157 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3ila s SER 158 N -0.74 0.02 0.28 2.89 1.04 -1.26 -4.94 113.70 110.99 3ila s SER 158 Ca 0.00 -1.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 3ila s SER 158 Cb 0.00 0.49 -0.12 0.00 0.10 0.00 0.00 66.02 66.49 3ila s SER 158 CO 0.00 -1.00 1.55 -0.62 0.98 0.00 0.00 173.24 174.15 3ila n GLU 159 N -0.33 2.56 0.00 4.02 -0.58 -1.26 -2.95 120.64 122.10 3ila n GLU 159 Ca -0.00 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 3ila n GLU 159 Cb 0.64 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 3ila n GLU 159 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ila n GLY 160 N 2.15 2.99 3.72 0.62 0.00 -0.28 -4.97 105.19 109.41 3ila n GLY 160 Ca 0.09 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.82 0.42 1.61 2.02 -1.15 -4.41 118.70 119.01 3ila s GLU 161 Ca 0.00 1.55 -0.24 0.00 0.02 0.00 0.00 54.97 56.30 3ila s GLU 161 Cb 0.00 -1.82 -0.08 0.00 0.10 0.00 0.00 34.13 32.33 3ila s GLU 161 CO 0.00 -2.04 1.17 0.15 0.02 0.00 0.00 175.26 174.56 3ila s LYS 162 N -4.36 3.94 -0.17 1.61 1.02 -1.26 -0.90 119.74 119.62 3ila s LYS 162 Ca 0.69 1.82 -0.20 0.00 0.02 0.00 0.00 55.97 58.29 3ila s LYS 162 Cb -0.24 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3ila s LYS 162 CO 0.51 -0.41 0.58 0.08 -0.92 0.00 0.00 175.35 175.19 3ila s VAL 163 N -1.47 5.08 0.25 3.17 1.01 0.60 -4.81 120.40 124.23 3ila s VAL 163 Ca 0.60 1.10 0.06 0.00 0.00 0.00 0.00 61.98 63.73 3ila s VAL 163 Cb -0.30 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3ila s VAL 163 CO 0.37 0.19 0.31 0.00 0.00 0.00 0.00 175.10 175.97 3ila s ARG 164 N 1.44 3.28 0.17 2.72 3.03 -1.26 -0.89 118.95 127.44 3ila s ARG 164 Ca 0.28 -0.86 -0.30 0.00 2.03 0.00 0.00 55.73 56.88 3ila s ARG 164 Cb -0.16 -2.79 -0.08 0.00 -1.03 0.00 0.00 34.95 30.90 3ila s ARG 164 CO 0.11 0.41 1.24 0.08 -1.13 0.00 0.00 175.30 176.02 3ila s VAL 165 N -2.03 3.50 0.00 4.99 1.01 -0.44 -3.21 120.40 124.22 3ila s VAL 165 Ca 0.34 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3ila s VAL 165 Cb -0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3ila s VAL 165 CO 0.28 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3ila n GLY 166 N 2.45 0.91 3.77 4.51 0.00 -1.26 -4.91 105.19 110.65 3ila n GLY 166 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.84 6.38 -0.15 1.61 1.01 -1.20 -5.01 116.67 116.47 3ila s ASP 167 Ca 0.00 2.39 -0.25 0.00 0.71 0.00 0.00 52.55 55.39 3ila s ASP 167 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3ila s ASP 167 CO 0.00 -0.78 0.84 -1.81 0.21 0.00 0.00 175.17 173.63 3ila s ASP 168 N -1.13 6.99 0.03 0.27 1.01 -1.26 -4.42 116.67 118.15 3ila s ASP 168 Ca 0.59 1.21 0.09 0.00 0.71 0.00 0.00 52.55 55.14 3ila s ASP 168 Cb -0.31 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3ila s ASP 168 CO 0.39 -0.38 -0.25 -0.76 0.21 0.00 0.00 175.17 174.39 3ila s LEU 169 N 2.00 2.25 -0.23 1.23 1.43 0.88 -3.39 118.68 122.85 3ila s LEU 169 Ca 0.39 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 3ila s LEU 169 Cb -0.17 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3ila s LEU 169 CO 0.14 0.27 0.20 -0.63 0.23 0.00 0.00 176.35 176.55 3ila s ILE 170 N -0.80 5.34 -0.20 -0.59 -1.09 0.74 -0.40 121.20 124.20 3ila s ILE 170 Ca 0.12 0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.77 3ila s ILE 170 Cb -0.10 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 3ila s ILE 170 CO 0.02 0.34 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.28 3ila s LEU 171 N 1.06 3.08 -0.16 2.97 1.43 -1.26 0.21 118.68 126.00 3ila s LEU 171 Ca 0.09 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3ila s LEU 171 Cb -0.14 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 3ila s LEU 171 CO 0.05 0.04 -0.13 -0.69 0.23 0.00 0.00 176.35 175.84 3ila s VAL 172 N 1.13 2.80 0.06 -1.59 1.01 0.28 -1.65 120.40 122.45 3ila s VAL 172 Ca 0.02 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 3ila s VAL 172 Cb -0.15 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 3ila s VAL 172 CO 0.00 0.50 1.70 -0.55 0.00 0.00 0.00 175.10 176.76 3ila s SER 173 N 0.88 6.57 0.31 3.32 0.15 0.38 0.21 113.70 125.51 3ila s SER 173 Ca -0.04 2.52 0.06 0.00 0.70 0.00 0.00 55.95 59.19 3ila s SER 173 Cb -0.15 -2.56 0.50 0.00 -1.71 0.00 0.00 66.02 62.10 3ila s SER 173 CO -0.01 -0.92 1.75 0.58 1.20 0.00 0.00 173.24 175.84 3ila h VAL 174 N 4.92 1.27 0.08 4.45 2.07 -1.66 0.13 116.25 127.50 3ila h VAL 174 Ca -0.43 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 3ila h VAL 174 Cb 1.20 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3ila h VAL 174 CO 0.94 0.39 -0.04 0.77 0.02 0.00 0.00 177.57 179.65 3ila h SER 175 N 0.29 -0.09 -0.00 0.57 4.64 -1.81 -3.38 113.55 113.76 3ila h SER 175 Ca 0.04 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ila h SER 175 Cb 0.67 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3ila h SER 175 CO 0.05 0.56 -0.80 -1.54 -0.87 0.00 0.00 176.83 174.22 3ila n SER 176 N -4.82 1.10 -0.92 4.97 3.41 -1.24 -4.97 113.62 111.14 3ila n SER 176 Ca -0.08 -1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 3ila n SER 176 Cb 0.30 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.09 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 -1.17 -1.20 -3.69 4.33 1.02 0.44 -5.00 120.64 115.37 3ila n GLU 177 Ca 0.05 0.90 -0.26 0.00 -0.02 0.00 0.00 57.16 57.82 3ila n GLU 177 Cb 0.32 -5.06 -0.03 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.91 3.50 0.10 3.49 0.52 -1.25 -4.75 118.95 117.65 3ila s ARG 178 Ca 0.00 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 3ila s ARG 178 Cb 0.00 -2.82 -0.06 0.00 0.52 0.00 0.00 34.95 32.58 3ila s ARG 178 CO 0.00 0.37 0.51 0.71 0.02 0.00 0.00 175.30 176.90 3ila s TYR 179 N -1.96 3.66 -0.08 -0.53 2.02 0.72 -0.47 117.35 120.71 3ila s TYR 179 Ca 0.38 1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 57.83 3ila s TYR 179 Cb -0.10 -2.35 -0.06 0.00 -0.40 0.00 0.00 41.96 39.05 3ila s TYR 179 CO 0.30 0.51 1.83 -1.17 -1.57 0.00 0.00 175.55 175.45 3ila s LEU 180 N -1.64 4.14 -0.00 -1.29 2.96 -0.66 -2.12 118.68 120.07 3ila s LEU 180 Ca 0.33 2.20 0.04 0.00 -0.22 0.00 0.00 54.13 56.48 3ila s LEU 180 Cb -0.16 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3ila s LEU 180 CO 0.18 -1.19 -0.13 -2.28 -1.32 0.00 0.00 176.35 171.61 3ila s HIS 181 N 5.04 1.16 -0.31 5.38 5.65 0.88 -3.69 115.29 129.41 3ila s HIS 181 Ca 0.82 -0.24 -0.17 0.00 0.25 0.00 0.00 55.06 55.72 3ila s HIS 181 Cb -0.35 -0.74 -0.02 0.00 -1.18 0.00 0.00 32.58 30.30 3ila s HIS 181 CO 0.34 -0.01 0.46 -1.17 -0.65 0.00 0.00 174.74 173.71 3ila s LEU 182 N -0.45 4.21 0.00 8.88 2.96 -1.26 -0.79 118.68 132.23 3ila s LEU 182 Ca 0.04 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3ila s LEU 182 Cb -0.05 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.10 3ila s LEU 182 CO -0.00 -0.34 0.00 -1.54 -1.32 0.00 0.00 176.35 173.14 3ila n SER 183 N 5.55 0.00 -1.10 3.68 3.41 -0.18 -4.99 113.62 119.99 3ila n SER 183 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 3ila n SER 183 Cb 0.50 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3ila n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ila n GLY 187 N 4.16 2.14 3.59 5.00 0.00 -1.26 -4.20 105.19 114.62 3ila n GLY 187 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 3ila n GLY 187 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ila s GLU 188 N -0.10 3.58 -0.95 1.61 4.04 -1.26 -4.95 118.70 120.68 3ila s GLU 188 Ca 0.02 0.63 -0.24 0.00 0.04 0.00 0.00 54.97 55.42 3ila s GLU 188 Cb 0.01 -3.99 -0.02 0.00 0.02 0.00 0.00 34.13 30.15 3ila s GLU 188 CO 0.00 -1.57 1.82 -1.17 -1.84 0.00 0.00 175.26 172.51 3ila s LEU 189 N 5.08 3.25 0.33 1.83 0.20 -1.26 -4.94 118.68 123.18 3ila s LEU 189 Ca 0.52 -0.94 0.09 0.00 0.69 0.00 0.00 54.13 54.50 3ila s LEU 189 Cb -0.10 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.05 3ila s LEU 189 CO 0.30 -2.43 0.06 0.00 -0.29 0.00 0.00 176.35 174.00 3ila s GLN 190 N 6.45 2.23 -0.18 1.98 1.03 -1.26 -4.26 119.66 125.65 3ila s GLN 190 Ca 0.64 -1.62 -0.00 0.00 0.04 0.00 0.00 55.36 54.42 3ila s GLN 190 Cb -0.05 -2.06 0.01 0.00 0.03 0.00 0.00 33.01 30.94 3ila s GLN 190 CO -0.02 0.16 -0.15 0.54 -2.54 0.00 0.00 175.29 173.27 3ila s VAL 191 N -2.45 2.56 0.27 3.63 0.11 -1.25 -1.01 120.40 122.26 3ila s VAL 191 Ca 0.36 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 3ila s VAL 191 Cb -0.02 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3ila s VAL 191 CO 0.21 0.51 0.13 -0.90 -3.33 0.00 0.00 175.10 171.71 3ila n ASP 192 N 4.41 0.69 -4.25 3.54 5.68 0.03 -3.79 116.55 122.85 3ila n ASP 192 Ca -0.20 -2.53 -0.36 0.00 -0.50 0.00 0.00 54.79 51.20 3ila n ASP 192 Cb 0.51 0.85 -0.13 0.00 -1.14 0.00 0.00 41.12 41.21 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 -2.82 2.94 0.14 2.12 0.00 0.13 -0.08 121.76 124.19 3ila s ALA 193 Ca 0.18 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.53 3ila s ALA 193 Cb 0.01 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 3ila s ALA 193 CO 0.13 -1.16 0.13 -1.13 0.00 0.00 0.00 175.76 173.73 3ila n SER 194 N 4.75 -0.34 -0.31 0.00 3.41 -0.90 -1.48 113.62 118.75 3ila n SER 194 Ca -0.14 -1.94 0.12 0.00 -0.26 0.00 0.00 58.87 56.66 3ila n SER 194 Cb 0.45 0.77 0.25 0.00 -0.26 0.00 0.00 64.21 65.42 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 -0.27 0.00 -3.05 7.33 3.72 -1.26 -0.20 117.46 123.72 3ila n PHE 195 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 3ila n PHE 195 Cb 0.26 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 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 -2.51 3.99 0.55 -1.08 -1.94 -1.26 -4.91 119.30 112.13 3ila s MET 196 Ca 0.22 0.48 -0.13 0.00 -1.71 0.00 0.00 55.69 54.55 3ila s MET 196 Cb 0.19 -3.70 -0.06 0.00 2.01 0.00 0.00 34.83 33.27 3ila s MET 196 CO 0.55 -0.56 0.98 1.14 -0.01 0.00 0.00 175.02 177.12 3ila s GLN 197 N 2.69 3.76 -0.02 2.03 -2.07 -1.26 -4.68 119.66 120.11 3ila s GLN 197 Ca 0.28 0.78 0.01 0.00 -1.82 0.00 0.00 55.36 54.61 3ila s GLN 197 Cb -0.15 -2.14 0.02 0.00 -1.09 0.00 0.00 33.01 29.64 3ila s GLN 197 CO 0.11 -0.38 -0.01 0.99 -1.32 0.00 0.00 175.29 174.68 3ila s THR 198 N -2.86 0.19 0.02 3.63 2.01 -1.24 -4.91 115.64 112.48 3ila s THR 198 Ca 0.56 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 3ila s THR 198 Cb -0.10 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 3ila s THR 198 CO 0.42 0.11 1.08 -0.76 -0.69 0.00 0.00 174.62 174.78 3ila s LEU 199 N 0.57 4.36 0.02 4.42 1.43 -1.26 -4.62 118.68 123.60 3ila s LEU 199 Ca -0.06 1.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.94 3ila s LEU 199 Cb -0.08 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 3ila s LEU 199 CO -0.01 -0.37 -0.26 0.26 0.23 0.00 0.00 176.35 176.20 3ila s TRP 200 N 1.13 2.30 -0.09 0.29 0.52 0.47 -4.60 118.94 118.96 3ila s TRP 200 Ca 0.55 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 56.22 3ila s TRP 200 Cb -0.25 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.62 3ila s TRP 200 CO 0.28 0.06 0.01 -0.80 0.02 0.00 0.00 176.95 176.52 3ila s ASN 201 N -0.99 5.32 -0.41 2.95 -0.87 0.20 -0.08 114.94 121.05 3ila s ASN 201 Ca 0.11 0.17 -0.04 0.00 -1.57 0.00 0.00 52.86 51.53 3ila s ASN 201 Cb -0.10 -1.52 0.11 0.00 -0.02 0.00 0.00 41.25 39.72 3ila s ASN 201 CO 0.01 0.38 0.21 -0.04 -2.57 0.00 0.00 177.10 175.09 3ila s MET 202 N -0.89 2.12 -0.27 -0.60 -1.94 -1.26 -0.37 119.30 116.08 3ila s MET 202 Ca 0.13 -1.76 -0.10 0.00 -1.71 0.00 0.00 55.69 52.26 3ila s MET 202 Cb -0.11 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3ila s MET 202 CO 0.02 -1.06 0.14 -0.80 -0.01 0.00 0.00 175.02 173.32 3ila s ASN 203 N 1.92 5.65 0.00 3.03 0.02 -0.80 -4.46 114.94 120.29 3ila s ASN 203 Ca 0.07 -0.14 0.30 0.00 -1.02 0.00 0.00 52.86 52.07 3ila s ASN 203 Cb -0.23 -2.04 1.41 0.00 0.02 0.00 0.00 41.25 40.42 3ila s ASN 203 CO -0.03 -0.06 1.95 -0.81 0.02 0.00 0.00 177.10 178.17