#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogx n LEU 3 N 0.00 0.17 -4.76 3.41 7.94 -1.26 -4.54 117.00 117.97 1ogx n LEU 3 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1ogx n LEU 3 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1ogx n LEU 3 CO 0.00 0.03 1.13 -2.84 -1.11 0.00 0.00 177.39 174.60 1ogx s PRO 4 N -1.77 4.20 1.02 1.96 0.02 -1.26 -4.96 135.00 134.22 1ogx s PRO 4 Ca 0.00 2.43 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 1ogx s PRO 4 Cb 0.00 -3.04 0.20 0.00 0.02 0.00 0.00 34.50 31.68 1ogx s PRO 4 CO 0.00 -0.47 1.08 0.95 -0.33 0.00 0.00 177.00 178.23 1ogx s THR 5 N -0.52 2.21 0.26 0.99 -4.23 -1.26 -4.15 115.64 108.94 1ogx s THR 5 Ca 0.57 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1ogx s THR 5 Cb -0.44 -2.39 0.26 0.00 1.34 0.00 0.00 72.50 71.27 1ogx s THR 5 CO 0.52 -0.09 1.86 0.00 -0.54 0.00 0.00 174.62 176.37 1ogx h ALA 6 N -2.04 1.37 -0.21 3.99 0.00 -1.92 0.65 119.26 121.10 1ogx h ALA 6 Ca -0.55 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1ogx h ALA 6 Cb 1.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ogx h ALA 6 CO 0.53 0.35 -0.22 1.96 0.00 0.00 0.00 179.25 181.87 1ogx h GLN 7 N 1.08 0.37 -0.32 0.00 4.20 -1.91 -2.37 115.11 116.17 1ogx h GLN 7 Ca 0.44 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.89 1ogx h GLN 7 Cb 0.25 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ogx h GLN 7 CO -0.20 0.58 -0.32 0.93 -0.67 0.00 0.00 178.83 179.15 1ogx h GLU 8 N 0.34 0.78 -0.66 1.46 5.08 -1.30 -2.78 114.58 117.49 1ogx h GLU 8 Ca 0.06 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1ogx h GLU 8 Cb 0.58 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 1ogx h GLU 8 CO 0.04 1.04 0.40 0.28 -1.00 0.00 0.00 179.01 179.77 1ogx h VAL 9 N 0.54 1.04 -0.78 3.13 2.07 -0.78 -0.31 116.25 121.16 1ogx h VAL 9 Ca 0.05 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ogx h VAL 9 Cb 0.90 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1ogx h VAL 9 CO 0.08 0.14 0.52 1.56 0.02 0.00 0.00 177.57 179.88 1ogx h GLN 10 N 0.76 1.02 -0.21 1.57 4.20 -1.40 -1.25 115.11 119.81 1ogx h GLN 10 Ca 0.28 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1ogx h GLN 10 Cb 0.08 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ogx h GLN 10 CO -0.13 0.68 0.03 0.78 -0.67 0.00 0.00 178.83 179.51 1ogx h GLY 11 N 1.05 0.37 0.98 3.46 0.00 -1.03 -1.84 103.07 106.06 1ogx h GLY 11 Ca 0.29 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ogx h GLY 11 CO -0.07 0.23 0.29 1.41 0.00 0.00 0.00 176.54 178.40 1ogx h LEU 12 N 0.14 0.49 -0.63 3.11 3.38 -0.95 -1.11 115.31 119.74 1ogx h LEU 12 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1ogx h LEU 12 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ogx h LEU 12 CO 0.00 0.35 -0.36 0.24 0.09 0.00 0.00 178.44 178.77 1ogx h MET 13 N 0.59 0.67 -0.11 1.13 2.86 -1.24 -1.70 114.93 117.13 1ogx h MET 13 Ca 0.17 -0.33 -0.12 0.00 -2.06 0.00 0.00 59.70 57.36 1ogx h MET 13 Cb -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ogx h MET 13 CO -0.05 0.93 -0.46 0.00 1.06 0.00 0.00 176.91 178.39 1ogx h ALA 14 N 1.04 1.01 -0.43 6.32 0.00 -1.12 -2.87 119.26 123.21 1ogx h ALA 14 Ca 0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1ogx h ALA 14 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ogx h ALA 14 CO 0.08 0.63 0.01 -0.09 0.00 0.00 0.00 179.25 179.88 1ogx h ARG 15 N 0.22 0.76 -0.67 0.00 2.43 -0.91 -2.72 114.38 113.49 1ogx h ARG 15 Ca 0.01 -0.23 0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1ogx h ARG 15 Cb 0.90 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.30 1ogx h ARG 15 CO 0.07 0.82 0.26 -0.92 -1.51 0.00 0.00 179.97 178.69 1ogx h TYR 16 N 0.60 0.45 -0.59 2.20 3.20 -1.11 -0.46 116.97 121.25 1ogx h TYR 16 Ca 0.12 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ogx h TYR 16 Cb 0.47 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1ogx h TYR 16 CO 0.04 0.09 0.21 0.82 -1.64 0.00 0.00 178.16 177.68 1ogx h ILE 17 N 0.43 1.22 -0.65 1.81 1.08 -1.33 -1.51 117.51 118.56 1ogx h ILE 17 Ca 0.35 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1ogx h ILE 17 Cb 0.47 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1ogx h ILE 17 CO -0.34 0.28 0.23 -0.33 -0.69 0.00 0.00 178.15 177.31 1ogx h GLU 18 N 0.86 1.00 -0.47 2.37 5.08 -0.83 -0.61 114.58 121.99 1ogx h GLU 18 Ca 0.20 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ogx h GLU 18 Cb 0.22 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ogx h GLU 18 CO -0.01 0.85 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.60 1ogx h LEU 19 N 0.94 0.97 -0.65 1.33 3.38 -0.80 -2.02 115.31 118.46 1ogx h LEU 19 Ca 0.21 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1ogx h LEU 19 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1ogx h LEU 19 CO -0.01 1.14 0.25 0.58 0.09 0.00 0.00 178.44 180.49 1ogx h VAL 20 N 0.80 1.24 -0.04 1.22 2.07 -1.13 0.33 116.25 120.75 1ogx h VAL 20 Ca 0.11 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1ogx h VAL 20 Cb 0.75 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ogx h VAL 20 CO 0.06 0.30 -0.02 -0.78 0.02 0.00 0.00 177.57 177.14 1ogx h ASP 21 N 0.92 -0.08 1.44 0.57 3.58 -0.88 -2.32 116.42 119.65 1ogx h ASP 21 Ca 0.22 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 1ogx h ASP 21 Cb 0.22 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ogx h ASP 21 CO -0.02 -0.04 -0.08 -0.37 -2.88 0.00 0.00 179.24 175.86 1ogx h VAL 22 N -0.03 0.16 0.00 2.25 -1.51 -1.17 -3.44 116.25 112.52 1ogx h VAL 22 Ca 0.02 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1ogx h VAL 22 Cb 0.06 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1ogx h VAL 22 CO -0.05 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1ogx n GLY 23 N 0.58 0.67 3.45 5.19 0.00 0.11 -4.97 105.19 110.22 1ogx n GLY 23 Ca 0.02 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1ogx n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ogx n ASP 24 N 1.41 4.41 0.06 1.61 -0.08 -0.59 -4.76 116.55 118.61 1ogx n ASP 24 Ca 0.00 -2.86 0.10 0.00 -1.51 0.00 0.00 54.79 50.51 1ogx n ASP 24 Cb 0.13 -1.72 0.55 0.00 2.34 0.00 0.00 41.12 42.42 1ogx n ASP 24 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ogx h ILE 25 N 5.43 0.97 0.42 5.18 2.04 -1.93 -2.09 117.51 127.51 1ogx h ILE 25 Ca 0.43 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 1ogx h ILE 25 Cb 0.84 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1ogx h ILE 25 CO 1.49 0.05 -0.20 -0.33 0.00 0.00 0.00 178.15 179.16 1ogx h GLU 26 N 0.27 -0.54 -0.32 2.37 5.08 -1.99 -2.58 114.58 116.87 1ogx h GLU 26 Ca 0.15 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1ogx h GLU 26 Cb 0.27 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ogx h GLU 26 CO -0.03 -0.27 0.15 0.00 -1.00 0.00 0.00 179.01 177.86 1ogx h ALA 27 N -0.23 1.67 -0.01 3.43 0.00 -1.89 -2.85 119.26 119.39 1ogx h ALA 27 Ca -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ogx h ALA 27 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ogx h ALA 27 CO 0.09 0.27 0.00 0.82 0.00 0.00 0.00 179.25 180.44 1ogx h ILE 28 N 0.44 1.16 -0.45 0.00 2.04 -1.26 -2.97 117.51 116.48 1ogx h ILE 28 Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ogx h ILE 28 Cb 0.05 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1ogx h ILE 28 CO -0.02 0.12 0.30 0.58 0.00 0.00 0.00 178.15 179.14 1ogx h VAL 29 N -0.18 1.11 0.00 1.67 2.07 -1.27 0.91 116.25 120.56 1ogx h VAL 29 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ogx h VAL 29 Cb 0.20 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ogx h VAL 29 CO -0.00 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.37 1ogx n GLN 30 N -4.47 0.09 0.17 1.57 -0.06 -1.09 -1.94 117.38 111.64 1ogx n GLN 30 Ca 0.04 0.22 0.05 0.00 -2.00 0.00 0.00 57.00 55.31 1ogx n GLN 30 Cb 0.06 -1.64 0.20 0.00 -4.06 0.00 0.00 30.24 24.80 1ogx n GLN 30 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 1ogx h MET 31 N 0.00 0.00 -6.65 3.69 2.86 -0.65 -3.45 114.93 110.73 1ogx h MET 31 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1ogx h MET 31 Cb 0.42 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1ogx h MET 31 CO 0.00 0.42 0.10 0.71 1.06 0.00 0.00 176.91 179.20 1ogx s TYR 32 N -3.29 3.50 0.65 -0.22 1.51 -0.82 -0.95 117.35 117.73 1ogx s TYR 32 Ca 0.02 1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 57.20 1ogx s TYR 32 Cb 0.09 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 1ogx s TYR 32 CO 0.71 0.21 1.17 0.00 -1.11 0.00 0.00 175.55 176.52 1ogx s ALA 33 N -1.76 2.42 0.53 3.71 0.00 -0.59 -4.78 121.76 121.29 1ogx s ALA 33 Ca 0.49 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.47 1ogx s ALA 33 Cb -0.13 -3.40 1.48 0.00 0.00 0.00 0.00 23.12 21.07 1ogx s ALA 33 CO 0.19 -1.35 2.16 0.38 0.00 0.00 0.00 175.76 177.15 1ogx h ASP 34 N 0.32 0.00 -0.16 0.00 2.03 -1.92 -2.31 116.42 114.38 1ogx h ASP 34 Ca -0.48 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.73 1ogx h ASP 34 Cb 1.28 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.72 1ogx h ASP 34 CO 0.53 0.04 -0.32 -0.90 -1.03 0.00 0.00 179.24 177.56 1ogx n ASP 35 N -4.13 2.07 -4.72 4.15 5.75 -1.26 -1.91 116.55 116.50 1ogx n ASP 35 Ca -0.03 -3.86 -0.31 0.00 -0.01 0.00 0.00 54.79 50.58 1ogx n ASP 35 Cb 0.12 -0.58 0.13 0.00 -1.03 0.00 0.00 41.12 39.76 1ogx n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ogx s ALA 36 N -3.25 1.80 0.03 2.12 0.00 -0.87 -4.42 121.76 117.17 1ogx s ALA 36 Ca 0.41 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1ogx s ALA 36 Cb 0.39 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1ogx s ALA 36 CO -0.04 -2.22 -0.21 0.95 0.00 0.00 0.00 175.76 174.24 1ogx s THR 37 N -2.83 1.69 -0.04 0.00 -4.23 -0.95 -0.63 115.64 108.64 1ogx s THR 37 Ca 0.63 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1ogx s THR 37 Cb -0.19 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1ogx s THR 37 CO 0.57 0.26 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.08 1ogx s VAL 38 N -0.74 1.21 -0.30 2.29 1.01 -0.36 -1.92 120.40 121.59 1ogx s VAL 38 Ca 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1ogx s VAL 38 Cb -0.09 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1ogx s VAL 38 CO 0.01 0.36 0.03 -1.61 0.00 0.00 0.00 175.10 173.89 1ogx s GLU 39 N 0.22 1.39 -0.24 2.72 2.02 -0.44 -1.01 118.70 123.36 1ogx s GLU 39 Ca -0.06 -1.44 -0.02 0.00 0.02 0.00 0.00 54.97 53.47 1ogx s GLU 39 Cb -0.12 -2.74 0.12 0.00 0.10 0.00 0.00 34.13 31.49 1ogx s GLU 39 CO 0.02 -0.84 0.30 1.21 0.02 0.00 0.00 175.26 175.97 1ogx s ASN 40 N 1.20 1.06 0.58 -0.19 3.84 -1.26 -1.19 114.94 118.99 1ogx s ASN 40 Ca 0.05 -0.24 -0.15 0.00 0.21 0.00 0.00 52.86 52.73 1ogx s ASN 40 Cb -0.19 0.67 -0.04 0.00 -0.55 0.00 0.00 41.25 41.15 1ogx s ASN 40 CO -0.12 -0.34 1.04 -2.16 -2.79 0.00 0.00 177.10 172.74 1ogx s PRO 41 N 2.41 3.45 0.27 0.43 0.04 -1.26 -4.99 135.00 135.35 1ogx s PRO 41 Ca 0.09 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 1ogx s PRO 41 Cb -0.15 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 1ogx s PRO 41 CO -0.20 -0.70 1.64 0.12 0.04 0.00 0.00 177.00 177.90 1ogx s PHE 42 N -2.58 2.79 0.00 0.56 5.36 0.74 -1.48 117.98 123.37 1ogx s PHE 42 Ca 0.62 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1ogx s PHE 42 Cb -0.14 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1ogx s PHE 42 CO 0.38 -3.84 0.00 0.41 -1.46 0.00 0.00 175.22 170.71 1ogx n GLY 43 N 2.69 2.16 3.91 13.12 0.00 -1.26 -4.90 105.19 120.91 1ogx n GLY 43 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1ogx n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogx s GLN 44 N -0.22 3.60 0.41 1.61 1.11 -0.55 -5.05 119.66 120.58 1ogx s GLN 44 Ca 0.00 0.05 -0.26 0.00 0.01 0.00 0.00 55.36 55.15 1ogx s GLN 44 Cb 0.00 -2.55 -0.09 0.00 -1.01 0.00 0.00 33.01 29.36 1ogx s GLN 44 CO 0.00 0.06 1.37 -1.25 0.01 0.00 0.00 175.29 175.48 1ogx s PRO 45 N -4.04 3.92 0.32 2.91 0.04 -1.26 -4.78 135.00 132.11 1ogx s PRO 45 Ca 0.45 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 1ogx s PRO 45 Cb -0.10 -2.77 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 1ogx s PRO 45 CO 0.35 -0.59 1.56 -2.30 0.04 0.00 0.00 177.00 176.06 1ogx n PRO 46 N 0.11 2.70 -3.91 0.56 -0.02 -1.26 -4.80 135.00 128.37 1ogx n PRO 46 Ca 0.04 0.95 -0.35 0.00 -2.02 0.00 0.00 63.50 62.12 1ogx n PRO 46 Cb 0.42 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 1ogx n PRO 46 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1ogx s ILE 47 N -0.39 4.91 -0.06 4.25 -4.36 -0.18 -4.94 121.20 120.43 1ogx s ILE 47 Ca 0.60 0.01 0.05 0.00 -0.26 0.00 0.00 60.65 61.06 1ogx s ILE 47 Cb -0.49 -3.23 -0.01 0.00 1.25 0.00 0.00 42.46 39.98 1ogx s ILE 47 CO 0.54 0.43 -0.23 -2.28 0.24 0.00 0.00 174.94 173.64 1ogx s HIS 48 N 0.56 2.50 0.00 1.37 2.46 -1.26 -1.23 115.29 119.69 1ogx s HIS 48 Ca 0.04 -0.68 0.00 0.00 0.47 0.00 0.00 55.06 54.90 1ogx s HIS 48 Cb -0.13 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1ogx s HIS 48 CO 0.01 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 172.50 1ogx n GLY 49 N 2.95 -0.70 0.39 1.59 0.00 0.20 -4.45 105.19 105.17 1ogx n GLY 49 Ca -0.17 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 44.55 1ogx n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ogx h ARG 50 N 0.00 0.46 0.52 1.61 3.08 -1.61 -1.46 114.38 116.98 1ogx h ARG 50 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ogx h ARG 50 Cb 0.00 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1ogx h ARG 50 CO 0.00 0.30 -0.25 1.49 -1.07 0.00 0.00 179.97 180.45 1ogx h GLU 51 N 0.47 -0.67 -0.59 0.04 4.81 -1.87 0.17 114.58 116.95 1ogx h GLU 51 Ca 0.48 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1ogx h GLU 51 Cb 1.09 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1ogx h GLU 51 CO -0.20 -0.41 0.32 1.96 -0.73 0.00 0.00 179.01 179.95 1ogx h GLN 52 N -0.77 0.83 -0.98 1.92 4.20 -1.69 -2.27 115.11 116.35 1ogx h GLN 52 Ca -0.07 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.55 1ogx h GLN 52 Cb 0.57 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 1ogx h GLN 52 CO 0.12 0.63 0.64 0.82 -0.67 0.00 0.00 178.83 180.37 1ogx h ILE 53 N 0.80 1.25 -0.38 2.54 2.04 -1.18 -1.06 117.51 121.52 1ogx h ILE 53 Ca 0.21 -0.47 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1ogx h ILE 53 Cb 0.05 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 1ogx h ILE 53 CO -0.03 0.25 -0.00 0.00 0.00 0.00 0.00 178.15 178.36 1ogx h ALA 54 N 1.38 1.30 -0.58 1.87 0.00 -0.35 -2.28 119.26 120.61 1ogx h ALA 54 Ca 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ogx h ALA 54 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ogx h ALA 54 CO -0.08 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.86 1ogx h ALA 55 N 1.44 0.76 0.12 0.00 0.00 -0.63 0.38 119.26 121.31 1ogx h ALA 55 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ogx h ALA 55 Cb 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ogx h ALA 55 CO 0.01 0.39 -0.36 0.35 0.00 0.00 0.00 179.25 179.65 1ogx h PHE 56 N 0.81 -0.98 -0.09 0.00 3.57 -0.84 -1.15 116.94 118.26 1ogx h PHE 56 Ca 0.19 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1ogx h PHE 56 Cb 0.23 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1ogx h PHE 56 CO 0.01 -0.46 -0.31 1.88 -2.23 0.00 0.00 178.31 177.20 1ogx h TYR 57 N -0.58 0.20 0.32 0.41 -1.99 -1.36 0.36 116.97 114.32 1ogx h TYR 57 Ca 0.03 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1ogx h TYR 57 Cb 0.62 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.30 1ogx h TYR 57 CO -0.32 0.47 -0.17 -0.09 -0.00 0.00 0.00 178.16 178.06 1ogx h ARG 58 N 0.16 -0.43 -0.05 4.88 9.65 -0.46 -0.89 114.38 127.24 1ogx h ARG 58 Ca 0.02 0.03 -0.22 0.00 -1.10 0.00 0.00 59.98 58.71 1ogx h ARG 58 Cb 0.63 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1ogx h ARG 58 CO 0.05 -0.29 -0.89 1.96 2.80 0.00 0.00 179.97 183.60 1ogx h GLN 59 N -0.45 0.54 -0.03 0.20 4.20 -1.11 -0.45 115.11 118.01 1ogx h GLN 59 Ca -0.04 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 1ogx h GLN 59 Cb 0.35 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ogx h GLN 59 CO 0.06 1.15 -0.02 0.78 -0.67 0.00 0.00 178.83 180.13 1ogx h GLY 60 N 0.95 0.08 -0.53 3.46 0.00 -0.92 -3.18 103.07 102.93 1ogx h GLY 60 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ogx h GLY 60 CO 0.16 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.81 1ogx n LEU 61 N -4.82 1.54 0.00 3.11 4.77 -0.34 -4.84 117.00 116.43 1ogx n LEU 61 Ca -0.08 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1ogx n LEU 61 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ogx n LEU 61 CO 0.35 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1ogx n GLY 62 N 1.17 0.00 0.31 -0.72 0.00 -0.18 -2.44 105.19 103.33 1ogx n GLY 62 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1ogx n GLY 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ogx h GLY 63 N 0.00 -0.80 0.00 -0.02 0.00 -1.88 -3.48 103.07 96.89 1ogx h GLY 63 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1ogx h GLY 63 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.86 1ogx n GLY 64 N -0.92 0.00 2.48 4.60 0.00 -1.02 -5.05 105.19 105.27 1ogx n GLY 64 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1ogx n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ogx n LYS 65 N 0.00 3.20 -4.20 1.61 4.76 -1.26 -4.94 118.16 117.32 1ogx n LYS 65 Ca 0.00 -4.02 -0.26 0.00 -2.87 0.00 0.00 58.31 51.16 1ogx n LYS 65 Cb 0.00 -2.27 -0.17 0.00 -1.84 0.00 0.00 35.03 30.76 1ogx n LYS 65 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ogx s VAL 66 N -5.13 1.13 0.14 -0.18 1.01 -1.26 -4.45 120.40 111.65 1ogx s VAL 66 Ca 0.52 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1ogx s VAL 66 Cb 0.43 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 1ogx s VAL 66 CO -0.18 0.37 -0.05 -0.13 0.00 0.00 0.00 175.10 175.12 1ogx s ARG 67 N 1.25 2.29 -0.05 2.72 1.81 -0.02 -4.76 118.95 122.19 1ogx s ARG 67 Ca -0.03 -1.06 -0.06 0.00 -1.72 0.00 0.00 55.73 52.86 1ogx s ARG 67 Cb -0.14 -2.34 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1ogx s ARG 67 CO -0.03 0.48 0.16 0.00 -0.68 0.00 0.00 175.30 175.23 1ogx s ALA 68 N -1.49 -0.39 -0.12 2.13 0.00 -1.26 -0.43 121.76 120.20 1ogx s ALA 68 Ca 0.25 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1ogx s ALA 68 Cb -0.10 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ogx s ALA 68 CO 0.16 -0.10 0.34 0.00 0.00 0.00 0.00 175.76 176.17 1ogx s LEU 70 N 0.03 4.40 -0.15 0.00 1.43 -1.26 -1.04 118.68 122.09 1ogx s LEU 70 Ca -0.01 2.68 0.17 0.00 -1.03 0.00 0.00 54.13 55.94 1ogx s LEU 70 Cb -0.03 -3.69 0.33 0.00 0.03 0.00 0.00 46.19 42.84 1ogx s LEU 70 CO 0.01 -0.58 1.19 0.35 0.23 0.00 0.00 176.35 177.55 1ogx n THR 71 N 0.70 1.99 0.00 5.49 -2.24 -0.63 -4.86 114.28 114.72 1ogx n THR 71 Ca 0.01 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 1ogx n THR 71 Cb 0.42 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1ogx n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogx n GLY 72 N -1.30 1.13 3.72 3.38 0.00 -1.25 -4.96 105.19 105.91 1ogx n GLY 72 Ca 0.17 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1ogx n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ogx s PRO 73 N -2.00 1.95 -0.06 1.61 0.04 -1.26 -4.59 135.00 130.69 1ogx s PRO 73 Ca 0.00 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.43 1ogx s PRO 73 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1ogx s PRO 73 CO 0.00 -1.95 0.77 0.08 0.04 0.00 0.00 177.00 175.94 1ogx s VAL 74 N -2.22 4.99 -0.15 -0.36 1.01 -1.26 -4.50 120.40 117.91 1ogx s VAL 74 Ca 0.71 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 64.10 1ogx s VAL 74 Cb -0.26 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1ogx s VAL 74 CO 0.49 0.21 0.47 -0.13 0.00 0.00 0.00 175.10 176.14 1ogx s ARG 75 N 0.97 4.29 -0.01 2.72 3.00 -0.02 -4.91 118.95 124.99 1ogx s ARG 75 Ca 0.41 0.40 0.04 0.00 0.00 0.00 0.00 55.73 56.58 1ogx s ARG 75 Cb -0.18 -3.48 -0.01 0.00 0.00 0.00 0.00 34.95 31.28 1ogx s ARG 75 CO 0.20 0.07 -0.14 0.00 0.00 0.00 0.00 175.30 175.42 1ogx s ALA 76 N 0.93 1.20 0.25 2.13 0.00 -1.26 -0.52 121.76 124.49 1ogx s ALA 76 Ca 0.24 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1ogx s ALA 76 Cb -0.15 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ogx s ALA 76 CO 0.10 0.29 0.27 -1.13 0.00 0.00 0.00 175.76 175.29 1ogx n SER 77 N 2.72 0.62 -1.18 0.00 3.41 -0.10 -4.93 113.62 114.15 1ogx n SER 77 Ca -0.14 -1.46 0.12 0.00 -0.26 0.00 0.00 58.87 57.13 1ogx n SER 77 Cb 0.55 -0.15 0.23 0.00 -0.26 0.00 0.00 64.21 64.58 1ogx n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ogx n HIS 78 N -1.50 0.55 -1.86 7.33 8.25 -1.26 -3.93 115.22 122.80 1ogx n HIS 78 Ca 0.05 -0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 57.03 1ogx n HIS 78 Cb 0.19 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.36 1ogx n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ogx n ASN 79 N 1.52 4.61 -1.05 0.41 2.04 -1.26 -4.94 115.26 116.58 1ogx n ASN 79 Ca 0.20 -3.78 -0.12 0.00 -0.44 0.00 0.00 54.58 50.44 1ogx n ASN 79 Cb 0.61 -0.45 -0.03 0.00 -2.53 0.00 0.00 39.78 37.38 1ogx n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ogx n GLY 80 N -0.81 0.76 3.45 4.83 0.00 -1.26 -4.45 105.19 107.71 1ogx n GLY 80 Ca 0.42 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1ogx n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogx s GLY 82 N -2.96 0.02 -0.03 0.00 0.00 -0.54 -0.93 107.32 102.88 1ogx s GLY 82 Ca 0.24 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 1ogx s GLY 82 CO 0.12 -0.50 0.10 0.00 0.00 0.00 0.00 173.10 172.82 1ogx s ALA 83 N -3.87 -0.25 -0.01 3.20 0.00 0.32 -1.20 121.76 119.94 1ogx s ALA 83 Ca 0.08 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1ogx s ALA 83 Cb 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1ogx s ALA 83 CO -0.06 -0.08 0.15 0.00 0.00 0.00 0.00 175.76 175.77 1ogx s MET 84 N -0.24 0.43 -0.14 0.00 0.23 -0.31 -0.84 119.30 118.44 1ogx s MET 84 Ca -0.03 -0.25 -0.08 0.00 -1.03 0.00 0.00 55.69 54.29 1ogx s MET 84 Cb -0.02 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1ogx s MET 84 CO 0.00 -0.10 0.16 -1.25 -2.03 0.00 0.00 175.02 171.80 1ogx s PRO 85 N -1.06 3.69 0.20 3.16 0.04 -1.26 -1.87 135.00 137.90 1ogx s PRO 85 Ca -0.11 -0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.62 1ogx s PRO 85 Cb -0.06 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1ogx s PRO 85 CO 0.01 0.63 0.56 -0.59 0.04 0.00 0.00 177.00 177.66 1ogx s PHE 86 N -0.62 -0.18 -0.02 0.56 -0.12 -0.49 -1.61 117.98 115.50 1ogx s PHE 86 Ca 0.14 -0.16 0.07 0.00 -0.05 0.00 0.00 56.93 56.92 1ogx s PHE 86 Cb -0.12 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1ogx s PHE 86 CO 0.03 -0.96 -0.22 0.50 -0.05 0.00 0.00 175.22 174.52 1ogx s ARG 87 N -3.87 1.83 -0.13 1.99 3.52 -0.21 -0.97 118.95 121.12 1ogx s ARG 87 Ca 0.09 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1ogx s ARG 87 Cb -0.02 -1.76 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 1ogx s ARG 87 CO -0.03 0.47 -0.12 0.08 -0.81 0.00 0.00 175.30 174.89 1ogx s VAL 88 N -0.49 3.13 -0.11 7.11 1.01 0.21 -1.42 120.40 129.84 1ogx s VAL 88 Ca 0.08 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ogx s VAL 88 Cb -0.09 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1ogx s VAL 88 CO -0.01 0.52 -0.18 -1.61 0.00 0.00 0.00 175.10 173.82 1ogx s GLU 89 N 0.37 3.17 0.00 2.72 2.02 0.43 -0.51 118.70 126.90 1ogx s GLU 89 Ca -0.10 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1ogx s GLU 89 Cb -0.16 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1ogx s GLU 89 CO 0.05 0.23 0.00 0.00 0.02 0.00 0.00 175.26 175.56 1ogx n MET 90 N 3.44 0.00 -4.38 1.61 0.00 -1.13 -0.84 117.12 115.82 1ogx n MET 90 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.30 1ogx n MET 90 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.59 1ogx n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ogx s VAL 91 N -1.26 0.82 -1.00 3.17 1.01 -1.26 -2.22 120.40 119.65 1ogx s VAL 91 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1ogx s VAL 91 Cb 0.00 -0.77 0.25 0.00 0.00 0.00 0.00 36.38 35.87 1ogx s VAL 91 CO 0.00 0.28 0.96 0.86 0.00 0.00 0.00 175.10 177.20 1ogx s TRP 92 N 0.62 4.07 -1.52 5.22 -0.00 -0.38 -4.72 118.94 122.24 1ogx s TRP 92 Ca -0.10 -2.58 -0.03 0.00 -0.00 0.00 0.00 56.10 53.39 1ogx s TRP 92 Cb -0.13 -3.73 0.03 0.00 -0.00 0.00 0.00 33.47 29.63 1ogx s TRP 92 CO 0.02 -0.93 0.31 -1.71 -0.00 0.00 0.00 176.95 174.64 1ogx n ASN 93 N 2.98 -0.22 0.00 5.86 4.05 -1.26 -3.26 115.26 123.40 1ogx n ASN 93 Ca 0.21 -1.12 0.00 0.00 0.45 0.00 0.00 54.58 54.11 1ogx n ASN 93 Cb 0.41 -2.40 0.00 0.00 1.23 0.00 0.00 39.78 39.02 1ogx n ASN 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ogx n GLY 94 N -2.10 3.90 3.64 8.20 0.00 -1.26 -5.10 105.19 112.47 1ogx n GLY 94 Ca -0.26 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1ogx n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ogx s GLN 95 N 0.00 3.31 0.21 1.61 2.00 -1.20 -5.08 119.66 120.51 1ogx s GLN 95 Ca 0.00 -0.41 -0.30 0.00 -2.00 0.00 0.00 55.36 52.65 1ogx s GLN 95 Cb 0.00 -2.90 -0.09 0.00 0.80 0.00 0.00 33.01 30.83 1ogx s GLN 95 CO 0.00 0.54 1.23 -1.25 -0.50 0.00 0.00 175.29 175.31 1ogx s PRO 96 N -0.42 4.46 0.31 1.67 0.04 -1.26 -1.25 135.00 138.54 1ogx s PRO 96 Ca 0.08 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1ogx s PRO 96 Cb -0.12 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1ogx s PRO 96 CO 0.02 -0.12 0.16 0.00 0.04 0.00 0.00 177.00 177.10 1ogx s ALA 98 N -3.59 0.47 -0.07 0.00 0.00 0.18 -2.83 121.76 115.92 1ogx s ALA 98 Ca 0.35 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1ogx s ALA 98 Cb 0.05 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1ogx s ALA 98 CO 0.17 -0.03 -0.09 -1.17 0.00 0.00 0.00 175.76 174.64 1ogx s LEU 99 N -1.36 1.48 -0.18 0.00 0.20 0.34 -0.65 118.68 118.51 1ogx s LEU 99 Ca -0.09 -0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.35 1ogx s LEU 99 Cb -0.09 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.89 1ogx s LEU 99 CO 0.00 -0.01 0.23 -1.81 -0.29 0.00 0.00 176.35 174.47 1ogx s ASP 100 N 0.91 6.33 0.09 3.68 1.01 -0.68 -0.62 116.67 127.38 1ogx s ASP 100 Ca -0.10 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1ogx s ASP 100 Cb -0.15 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1ogx s ASP 100 CO 0.01 0.11 -0.07 -0.69 0.21 0.00 0.00 175.17 174.74 1ogx s VAL 101 N 0.54 0.70 -0.07 -1.27 1.01 -0.14 -4.74 120.40 116.43 1ogx s VAL 101 Ca 0.13 -1.73 0.01 0.00 0.00 0.00 0.00 61.98 60.39 1ogx s VAL 101 Cb -0.12 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1ogx s VAL 101 CO 0.02 -0.74 -0.07 -0.63 0.00 0.00 0.00 175.10 173.68 1ogx s ILE 102 N -3.03 0.85 -0.14 2.22 1.01 -0.97 -1.40 121.20 119.75 1ogx s ILE 102 Ca 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1ogx s ILE 102 Cb 0.01 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1ogx s ILE 102 CO -0.03 0.31 -0.01 -1.81 0.00 0.00 0.00 174.94 173.40 1ogx s ASP 103 N 1.17 5.08 -0.15 3.58 1.01 -0.78 -0.32 116.67 126.26 1ogx s ASP 103 Ca -0.06 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.18 1ogx s ASP 103 Cb -0.14 -1.71 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 1ogx s ASP 103 CO -0.02 0.24 -0.09 -0.69 0.21 0.00 0.00 175.17 174.82 1ogx s VAL 104 N -0.03 3.40 -0.01 -1.27 1.01 -0.40 -1.16 120.40 121.93 1ogx s VAL 104 Ca 0.03 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ogx s VAL 104 Cb -0.13 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1ogx s VAL 104 CO 0.02 0.50 -0.10 -0.04 0.00 0.00 0.00 175.10 175.49 1ogx s MET 105 N 0.46 0.86 -0.13 2.72 -1.94 -0.34 -1.42 119.30 119.51 1ogx s MET 105 Ca -0.07 -0.34 -0.01 0.00 -1.71 0.00 0.00 55.69 53.56 1ogx s MET 105 Cb -0.15 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 35.84 1ogx s MET 105 CO 0.04 0.18 -0.11 0.50 -0.01 0.00 0.00 175.02 175.62 1ogx s ARG 106 N -0.09 3.39 0.20 2.03 3.52 -0.51 -1.47 118.95 126.01 1ogx s ARG 106 Ca 0.02 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1ogx s ARG 106 Cb -0.05 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 1ogx s ARG 106 CO -0.00 0.26 0.16 -0.06 -0.81 0.00 0.00 175.30 174.85 1ogx s PHE 107 N 0.25 3.13 0.32 5.12 0.40 -0.09 -0.64 117.98 126.47 1ogx s PHE 107 Ca -0.07 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1ogx s PHE 107 Cb -0.15 -1.46 0.05 0.00 0.51 0.00 0.00 43.02 41.97 1ogx s PHE 107 CO 0.05 0.52 0.43 -0.40 0.70 0.00 0.00 175.22 176.52 1ogx n ASP 108 N -0.73 1.26 0.24 1.36 3.85 -0.29 -2.14 116.55 120.10 1ogx n ASP 108 Ca -0.08 -1.88 0.16 0.00 -0.71 0.00 0.00 54.79 52.28 1ogx n ASP 108 Cb 0.56 -0.22 0.87 0.00 -1.35 0.00 0.00 41.12 40.98 1ogx n ASP 108 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1ogx h GLU 109 N 0.00 0.00 -0.70 0.11 9.09 -1.93 -1.51 114.58 119.65 1ogx h GLU 109 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1ogx h GLU 109 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1ogx h GLU 109 CO 0.23 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.01 1ogx n HIS 110 N -2.63 0.92 -1.49 2.06 8.25 -1.26 -4.85 115.22 116.22 1ogx n HIS 110 Ca -0.02 -0.47 -0.08 0.00 -0.26 0.00 0.00 57.72 56.89 1ogx n HIS 110 Cb 0.06 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1ogx n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ogx n GLY 111 N 1.65 0.75 3.66 -1.41 0.00 -0.57 -5.02 105.19 104.24 1ogx n GLY 111 Ca 0.24 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1ogx n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogx s ARG 112 N -3.17 2.54 -0.28 1.61 0.52 -1.26 -4.85 118.95 114.06 1ogx s ARG 112 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 1ogx s ARG 112 Cb 0.00 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 1ogx s ARG 112 CO 0.00 0.56 1.69 0.42 0.02 0.00 0.00 175.30 178.00 1ogx s ILE 113 N -1.20 3.59 -0.02 1.52 1.01 -0.12 -1.14 121.20 124.84 1ogx s ILE 113 Ca 0.22 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.55 1ogx s ILE 113 Cb -0.11 -3.69 -0.25 0.00 0.01 0.00 0.00 42.46 38.41 1ogx s ILE 113 CO 0.14 -0.37 0.74 -0.61 0.00 0.00 0.00 174.94 174.85 1ogx h GLN 114 N 11.70 0.12 -3.07 2.79 4.15 -1.19 -1.56 115.11 128.04 1ogx h GLN 114 Ca -0.34 -0.20 -0.16 0.00 0.77 0.00 0.00 58.65 58.72 1ogx h GLN 114 Cb 1.16 0.08 -0.26 0.00 0.21 0.00 0.00 27.48 28.66 1ogx h GLN 114 CO 1.02 0.86 -0.41 0.99 -1.93 0.00 0.00 178.83 179.35 1ogx s THR 115 N -2.61 -0.01 -0.02 2.39 2.01 -1.09 -2.23 115.64 114.09 1ogx s THR 115 Ca -0.08 0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ogx s THR 115 Cb 0.08 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.22 1ogx s THR 115 CO 0.82 0.01 -0.00 -0.32 -0.69 0.00 0.00 174.62 174.44 1ogx s MET 116 N 0.30 0.18 -0.08 4.92 1.75 -0.81 -1.42 119.30 124.14 1ogx s MET 116 Ca -0.01 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1ogx s MET 116 Cb -0.03 -0.29 0.02 0.00 2.84 0.00 0.00 34.83 37.36 1ogx s MET 116 CO -0.01 -0.06 -0.10 -0.65 -0.65 0.00 0.00 175.02 173.55 1ogx s GLN 117 N 0.54 1.57 -0.29 4.11 -0.21 -0.51 -1.32 119.66 123.55 1ogx s GLN 117 Ca -0.05 -0.33 -0.08 0.00 0.02 0.00 0.00 55.36 54.92 1ogx s GLN 117 Cb -0.08 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 1ogx s GLN 117 CO -0.01 -0.08 0.10 0.00 -2.12 0.00 0.00 175.29 173.18 1ogx s ALA 118 N 1.03 3.17 -0.27 6.09 0.00 -0.34 -1.28 121.76 130.16 1ogx s ALA 118 Ca -0.08 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 1ogx s ALA 118 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 1ogx s ALA 118 CO -0.01 -0.78 0.43 0.71 0.00 0.00 0.00 175.76 176.12 1ogx s TYR 119 N 1.58 3.25 0.00 0.00 1.51 0.57 -0.18 117.35 124.07 1ogx s TYR 119 Ca 0.05 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1ogx s TYR 119 Cb -0.16 -2.64 0.00 0.00 -0.11 0.00 0.00 41.96 39.04 1ogx s TYR 119 CO 0.04 -0.26 0.00 -2.67 -1.11 0.00 0.00 175.55 171.55 1ogx n TRP 120 N 5.43 0.00 -3.37 2.71 4.27 -1.26 -2.29 117.44 122.92 1ogx n TRP 120 Ca -0.07 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.53 1ogx n TRP 120 Cb 0.50 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.46 1ogx n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1ogx n SER 121 N 0.00 -0.50 0.22 -0.67 3.41 -1.26 -4.76 113.62 110.05 1ogx n SER 121 Ca 0.00 -1.31 0.11 0.00 -0.26 0.00 0.00 58.87 57.41 1ogx n SER 121 Cb 0.00 0.83 0.69 0.00 -0.26 0.00 0.00 64.21 65.47 1ogx n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ogx h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.00 -1.22 114.58 118.75 1ogx h GLU 122 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1ogx h GLU 122 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ogx h GLU 122 CO 0.10 0.00 0.00 -0.39 -1.40 0.00 0.00 179.01 177.32 1ogx h VAL 123 N 0.00 0.00 -0.53 3.13 -1.51 -2.00 -1.55 116.25 113.78 1ogx h VAL 123 Ca 0.04 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1ogx h VAL 123 Cb 0.18 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 1ogx h VAL 123 CO -0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1ogx n ASN 124 N -2.42 3.50 -4.72 4.19 4.13 -0.46 -4.92 115.26 114.56 1ogx n ASN 124 Ca -0.01 -1.98 -0.36 0.00 1.68 0.00 0.00 54.58 53.92 1ogx n ASN 124 Cb 0.09 -0.35 -0.08 0.00 -1.54 0.00 0.00 39.78 37.90 1ogx n ASN 124 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ogx s LEU 125 N -1.09 4.21 0.14 3.41 0.20 -0.59 -1.69 118.68 123.28 1ogx s LEU 125 Ca 0.38 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.55 1ogx s LEU 125 Cb 0.21 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1ogx s LEU 125 CO 0.27 0.14 -0.12 -0.44 -0.29 0.00 0.00 176.35 175.92 1ogx s SER 126 N 0.48 1.94 0.00 3.68 0.01 0.18 -4.98 113.70 115.02 1ogx s SER 126 Ca 0.10 -0.94 0.04 0.00 1.31 0.00 0.00 55.95 56.46 1ogx s SER 126 Cb -0.12 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1ogx s SER 126 CO 0.00 -0.25 0.63 0.52 0.41 0.00 0.00 173.24 174.55