#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ix1 s ILE 3 N 0.00 4.87 0.16 0.00 -1.09 -1.26 -4.61 121.20 119.28 1ix1 s ILE 3 Ca 0.00 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.21 1ix1 s ILE 3 Cb 0.00 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1ix1 s ILE 3 CO 0.00 0.07 0.33 -0.76 -1.23 0.00 0.00 174.94 173.34 1ix1 s LEU 4 N 1.79 4.29 0.33 2.97 1.43 -1.26 -5.03 118.68 123.20 1ix1 s LEU 4 Ca 0.43 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.55 1ix1 s LEU 4 Cb -0.18 -3.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 1ix1 s LEU 4 CO 0.17 0.02 1.10 0.21 0.23 0.00 0.00 176.35 178.07 1ix1 s ASN 5 N -3.11 7.04 -0.26 2.29 3.84 -1.26 -4.93 114.94 118.54 1ix1 s ASN 5 Ca 0.37 2.22 -0.08 0.00 0.21 0.00 0.00 52.86 55.58 1ix1 s ASN 5 Cb -0.11 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 1ix1 s ASN 5 CO 0.29 -0.30 0.09 -0.63 -2.79 0.00 0.00 177.10 173.75 1ix1 s ILE 6 N -1.33 4.41 0.50 -5.21 1.01 -1.26 -4.34 121.20 114.98 1ix1 s ILE 6 Ca 0.50 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 1ix1 s ILE 6 Cb -0.29 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1ix1 s ILE 6 CO 0.37 0.29 1.26 -0.76 0.00 0.00 0.00 174.94 176.10 1ix1 s LEU 7 N 1.62 3.94 -0.00 2.97 1.43 0.55 -4.98 118.68 124.21 1ix1 s LEU 7 Ca 0.06 2.52 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1ix1 s LEU 7 Cb -0.15 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1ix1 s LEU 7 CO 0.04 -1.22 -0.21 -1.61 0.23 0.00 0.00 176.35 173.58 1ix1 s GLU 8 N -2.79 1.62 0.38 1.70 2.02 -1.26 -4.35 118.70 116.02 1ix1 s GLU 8 Ca 0.67 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 54.60 1ix1 s GLU 8 Cb -0.34 -1.61 -0.11 0.00 0.10 0.00 0.00 34.13 32.17 1ix1 s GLU 8 CO 0.41 0.43 1.21 0.34 0.02 0.00 0.00 175.26 177.67 1ix1 n PHE 9 N 2.38 1.94 -0.38 1.61 7.35 0.12 -0.91 117.46 129.56 1ix1 n PHE 9 Ca -0.16 0.55 -0.14 0.00 -0.76 0.00 0.00 57.45 56.94 1ix1 n PHE 9 Cb 0.53 -2.35 0.12 0.00 0.35 0.00 0.00 39.48 38.13 1ix1 n PHE 9 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ix1 n PRO 10 N 0.30 1.86 -1.65 -7.13 -0.04 -1.26 -4.84 135.00 122.24 1ix1 n PRO 10 Ca 0.07 -1.88 -0.50 0.00 -0.04 0.00 0.00 63.50 61.15 1ix1 n PRO 10 Cb 0.38 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1ix1 n PRO 10 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ix1 n ASP 11 N -0.48 3.11 0.02 3.54 4.64 -0.09 -4.83 116.55 122.46 1ix1 n ASP 11 Ca 0.36 0.86 0.22 0.00 -1.38 0.00 0.00 54.79 54.85 1ix1 n ASP 11 Cb 1.22 -1.33 0.72 0.00 -1.04 0.00 0.00 41.12 40.69 1ix1 n ASP 11 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1ix1 h PRO 12 N 9.80 0.00 0.00 -0.67 0.13 -2.00 -1.75 132.00 137.52 1ix1 h PRO 12 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ix1 h PRO 12 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ix1 h PRO 12 CO 0.96 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1ix1 h ARG 13 N 0.00 0.00 0.00 0.86 3.08 -1.97 -1.55 114.38 114.80 1ix1 h ARG 13 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ix1 h ARG 13 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1ix1 h ARG 13 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1ix1 n LEU 14 N -2.32 0.65 -0.49 3.04 4.77 -0.66 -2.81 117.00 119.19 1ix1 n LEU 14 Ca 0.01 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1ix1 n LEU 14 Cb 0.16 -0.42 0.50 0.00 -2.33 0.00 0.00 43.42 41.33 1ix1 n LEU 14 CO 0.17 -0.27 0.85 0.54 -1.33 0.00 0.00 177.39 177.35 1ix1 n ARG 15 N -2.14 1.68 -2.34 3.23 5.12 -0.58 -4.32 116.66 117.30 1ix1 n ARG 15 Ca 0.05 -0.99 -0.41 0.00 -1.93 0.00 0.00 57.85 54.57 1ix1 n ARG 15 Cb 0.35 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.15 1ix1 n ARG 15 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1ix1 s THR 16 N -1.97 3.30 -0.26 0.55 2.01 -1.12 -4.41 115.64 113.74 1ix1 s THR 16 Ca 0.37 1.22 -0.21 0.00 0.31 0.00 0.00 61.69 63.39 1ix1 s THR 16 Cb 0.20 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1ix1 s THR 16 CO 0.32 0.26 0.66 -0.63 -0.69 0.00 0.00 174.62 174.54 1ix1 s ILE 17 N -0.76 4.96 0.36 1.82 1.01 -1.26 -3.61 121.20 123.71 1ix1 s ILE 17 Ca 0.49 1.17 -0.28 0.00 0.00 0.00 0.00 60.65 62.03 1ix1 s ILE 17 Cb -0.34 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 1ix1 s ILE 17 CO 0.42 -0.00 1.27 0.00 0.00 0.00 0.00 174.94 176.63 1ix1 s ALA 18 N 2.56 3.38 0.17 9.38 0.00 -0.15 -4.95 121.76 132.14 1ix1 s ALA 18 Ca 0.27 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1ix1 s ALA 18 Cb -0.15 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1ix1 s ALA 18 CO 0.09 -0.63 0.60 0.15 0.00 0.00 0.00 175.76 175.96 1ix1 s LYS 19 N -1.95 4.06 0.67 0.00 1.02 -0.31 -4.64 119.74 118.59 1ix1 s LYS 19 Ca 0.52 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.93 1ix1 s LYS 19 Cb -0.37 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1ix1 s LYS 19 CO 0.49 0.46 1.28 -2.14 -0.92 0.00 0.00 175.35 174.51 1ix1 s PRO 20 N -1.95 2.41 -0.22 -1.68 0.02 -1.26 -1.12 135.00 131.19 1ix1 s PRO 20 Ca 0.39 2.00 -0.16 0.00 0.02 0.00 0.00 61.00 63.25 1ix1 s PRO 20 Cb -0.15 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1ix1 s PRO 20 CO 0.20 -1.69 0.41 0.08 -0.33 0.00 0.00 177.00 175.67 1ix1 s VAL 21 N -1.53 5.18 -0.16 3.83 1.01 -1.26 -4.79 120.40 122.68 1ix1 s VAL 21 Ca 0.81 0.71 0.18 0.00 0.00 0.00 0.00 61.98 63.68 1ix1 s VAL 21 Cb -0.36 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1ix1 s VAL 21 CO 0.41 0.21 1.00 -0.33 0.00 0.00 0.00 175.10 176.40 1ix1 h GLU 22 N 7.58 0.00 -2.27 2.72 5.08 -2.01 -3.47 114.58 122.21 1ix1 h GLU 22 Ca -0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1ix1 h GLU 22 Cb 1.16 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.18 1ix1 h GLU 22 CO 0.71 0.27 -0.04 0.54 -1.00 0.00 0.00 179.01 179.48 1ix1 s VAL 23 N -3.02 -0.00 -1.33 3.13 0.11 -1.26 -5.06 120.40 112.97 1ix1 s VAL 23 Ca -0.01 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 58.94 1ix1 s VAL 23 Cb 0.08 -0.84 0.13 0.00 -1.53 0.00 0.00 36.38 34.22 1ix1 s VAL 23 CO 0.79 0.00 1.93 0.52 -3.33 0.00 0.00 175.10 175.01 1ix1 n VAL 24 N 3.28 4.06 -1.69 2.04 0.31 -1.26 -4.85 118.33 120.22 1ix1 n VAL 24 Ca -0.16 -4.01 -0.15 0.00 -0.01 0.00 0.00 64.34 60.00 1ix1 n VAL 24 Cb 0.56 -2.44 0.10 0.00 -0.91 0.00 0.00 33.84 31.15 1ix1 n VAL 24 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ix1 n ASP 25 N 4.95 0.19 -0.21 4.52 3.85 -1.26 -4.75 116.55 123.84 1ix1 n ASP 25 Ca 0.44 -1.33 0.01 0.00 -0.71 0.00 0.00 54.79 53.20 1ix1 n ASP 25 Cb 0.38 -0.51 0.13 0.00 -1.35 0.00 0.00 41.12 39.77 1ix1 n ASP 25 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1ix1 h ASP 26 N -0.82 0.15 -0.32 -1.12 3.58 -1.99 -0.62 116.42 115.29 1ix1 h ASP 26 Ca -0.22 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.36 1ix1 h ASP 26 Cb 0.64 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.76 1ix1 h ASP 26 CO 0.17 0.08 0.13 0.00 -2.88 0.00 0.00 179.24 176.74 1ix1 h ALA 27 N 1.47 0.38 -0.77 -0.78 0.00 -1.97 -0.59 119.26 117.00 1ix1 h ALA 27 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ix1 h ALA 27 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ix1 h ALA 27 CO -0.36 -0.26 0.36 0.28 0.00 0.00 0.00 179.25 179.26 1ix1 h VAL 28 N 0.28 1.25 -0.57 0.00 2.07 -1.70 -1.53 116.25 116.05 1ix1 h VAL 28 Ca 0.14 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1ix1 h VAL 28 Cb 0.09 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1ix1 h VAL 28 CO -0.12 0.30 0.21 0.03 0.02 0.00 0.00 177.57 178.01 1ix1 h ARG 29 N 1.09 0.83 -0.35 1.57 3.08 -0.62 -1.62 114.38 118.35 1ix1 h ARG 29 Ca 0.26 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1ix1 h ARG 29 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1ix1 h ARG 29 CO -0.03 0.70 -0.16 0.37 -1.07 0.00 0.00 179.97 179.77 1ix1 h GLN 30 N 0.82 0.74 -0.56 0.04 5.75 -0.66 -2.77 115.11 118.47 1ix1 h GLN 30 Ca 0.19 -0.32 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1ix1 h GLN 30 Cb 0.18 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1ix1 h GLN 30 CO -0.02 0.93 0.36 1.25 -2.65 0.00 0.00 178.83 178.70 1ix1 h LEU 31 N 0.52 0.61 -0.60 -2.39 5.85 -0.85 -0.95 115.31 117.51 1ix1 h LEU 31 Ca 0.08 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1ix1 h LEU 31 Cb 0.70 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1ix1 h LEU 31 CO 0.05 0.44 0.32 0.40 -0.34 0.00 0.00 178.44 179.31 1ix1 h ILE 32 N 0.73 0.97 -0.60 4.05 2.04 -1.25 0.33 117.51 123.77 1ix1 h ILE 32 Ca 0.21 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1ix1 h ILE 32 Cb -0.05 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1ix1 h ILE 32 CO -0.06 0.11 0.19 0.44 0.00 0.00 0.00 178.15 178.83 1ix1 h ASP 33 N 0.61 0.88 -0.54 1.72 3.32 -1.16 -1.27 116.42 119.98 1ix1 h ASP 33 Ca 0.26 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1ix1 h ASP 33 Cb 0.15 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1ix1 h ASP 33 CO -0.17 0.85 0.10 0.44 -1.72 0.00 0.00 179.24 178.74 1ix1 h ASP 34 N 0.86 0.89 -0.54 6.45 3.32 -0.33 -2.13 116.42 124.95 1ix1 h ASP 34 Ca 0.19 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1ix1 h ASP 34 Cb 0.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1ix1 h ASP 34 CO -0.01 0.90 0.14 0.24 -1.72 0.00 0.00 179.24 178.79 1ix1 h MET 35 N 0.89 0.86 -0.53 3.56 2.86 0.00 -1.10 114.93 121.47 1ix1 h MET 35 Ca 0.18 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ix1 h MET 35 Cb 0.39 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1ix1 h MET 35 CO 0.01 0.80 0.25 0.74 1.06 0.00 0.00 176.91 179.77 1ix1 h PHE 36 N 0.76 0.76 -0.26 -0.22 0.04 -1.02 0.68 116.94 117.67 1ix1 h PHE 36 Ca 0.17 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.93 1ix1 h PHE 36 Cb 0.32 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1ix1 h PHE 36 CO 0.02 0.60 0.08 0.93 -0.60 0.00 0.00 178.31 179.34 1ix1 h GLU 37 N 0.71 0.18 -0.45 1.51 5.08 -1.16 -0.65 114.58 119.80 1ix1 h GLU 37 Ca 0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1ix1 h GLU 37 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ix1 h GLU 37 CO -0.02 0.12 0.26 1.15 -1.00 0.00 0.00 179.01 179.52 1ix1 h THR 38 N 0.19 1.15 -0.26 1.13 2.02 -0.91 -1.95 112.91 114.27 1ix1 h THR 38 Ca 0.12 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1ix1 h THR 38 Cb 0.10 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1ix1 h THR 38 CO -0.13 0.15 0.13 -0.03 0.37 0.00 0.00 175.52 176.01 1ix1 h MET 39 N 0.60 0.38 -0.12 6.66 1.85 -0.55 -2.03 114.93 121.71 1ix1 h MET 39 Ca 0.16 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 1ix1 h MET 39 Cb 0.02 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.97 1ix1 h MET 39 CO -0.03 0.36 -0.26 1.88 -0.40 0.00 0.00 176.91 178.46 1ix1 h TYR 40 N 0.30 0.24 0.00 1.39 0.05 -1.03 -0.16 116.97 117.76 1ix1 h TYR 40 Ca 0.09 -0.04 -0.20 0.00 0.05 0.00 0.00 58.73 58.62 1ix1 h TYR 40 Cb 0.10 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1ix1 h TYR 40 CO -0.02 0.47 -0.89 1.49 -1.05 0.00 0.00 178.16 178.16 1ix1 h GLU 41 N 0.20 0.25 -0.35 4.88 4.22 -1.16 -3.38 114.58 119.23 1ix1 h GLU 41 Ca 0.03 -0.27 0.03 0.00 0.08 0.00 0.00 59.36 59.23 1ix1 h GLU 41 Cb 0.58 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1ix1 h GLU 41 CO 0.04 0.99 -0.26 0.00 -2.18 0.00 0.00 179.01 177.59 1ix1 h ALA 42 N 0.92 -0.35 -2.67 2.92 0.00 -1.29 -3.48 119.26 115.32 1ix1 h ALA 42 Ca -0.05 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 1ix1 h ALA 42 Cb 1.51 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 20.32 1ix1 h ALA 42 CO 0.14 -0.52 -0.52 -1.25 0.00 0.00 0.00 179.25 177.11 1ix1 s PRO 43 N -4.16 3.19 0.29 0.00 0.04 -1.26 -5.15 135.00 127.95 1ix1 s PRO 43 Ca -0.06 -0.71 0.04 0.00 0.04 0.00 0.00 61.00 60.32 1ix1 s PRO 43 Cb 0.05 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1ix1 s PRO 43 CO 0.28 0.51 0.25 0.20 0.04 0.00 0.00 177.00 178.28 1ix1 s GLY 44 N -3.10 2.03 0.00 0.56 0.00 -0.08 -5.02 107.32 101.71 1ix1 s GLY 44 Ca 0.33 -1.94 0.14 0.00 0.00 0.00 0.00 44.72 43.25 1ix1 s GLY 44 CO 0.26 -1.42 0.88 0.29 0.00 0.00 0.00 173.10 173.11 1ix1 n ILE 45 N -0.52 0.00 -3.62 0.90 -5.35 -1.26 -4.62 119.36 104.89 1ix1 n ILE 45 Ca 0.06 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 1ix1 n ILE 45 Cb 0.63 1.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.75 1ix1 n ILE 45 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ix1 s GLY 46 N -1.33 -0.31 -0.28 3.28 0.00 -1.26 -1.60 107.32 105.83 1ix1 s GLY 46 Ca 0.15 0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.71 1ix1 s GLY 46 CO 0.23 -0.10 0.79 -2.27 0.00 0.00 0.00 173.10 171.74 1ix1 s LEU 47 N -2.82 -0.76 0.00 0.66 2.96 -0.61 -4.96 118.68 113.16 1ix1 s LEU 47 Ca 0.06 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.29 1ix1 s LEU 47 Cb -0.01 2.25 -0.04 0.00 0.50 0.00 0.00 46.19 48.89 1ix1 s LEU 47 CO -0.07 -0.21 -0.01 0.00 -1.32 0.00 0.00 176.35 174.74 1ix1 s ALA 48 N 1.02 3.26 0.46 5.97 0.00 -1.26 -1.63 121.76 129.57 1ix1 s ALA 48 Ca -0.05 -0.96 0.17 0.00 0.00 0.00 0.00 51.96 51.12 1ix1 s ALA 48 Cb -0.05 -1.31 1.13 0.00 0.00 0.00 0.00 23.12 22.89 1ix1 s ALA 48 CO -0.11 0.65 1.96 0.00 0.00 0.00 0.00 175.76 178.26 1ix1 h ALA 49 N 4.32 2.18 -0.91 0.00 0.00 -1.48 -0.86 119.26 122.51 1ix1 h ALA 49 Ca -0.49 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1ix1 h ALA 49 Cb 1.17 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1ix1 h ALA 49 CO 0.57 -0.34 0.58 1.15 0.00 0.00 0.00 179.25 181.21 1ix1 h THR 50 N 0.30 0.86 0.00 0.00 2.02 -1.68 -1.15 112.91 113.26 1ix1 h THR 50 Ca 0.30 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1ix1 h THR 50 Cb 0.78 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1ix1 h THR 50 CO -0.07 0.14 -0.13 1.56 0.37 0.00 0.00 175.52 177.39 1ix1 h GLN 51 N 0.75 0.00 -0.55 6.66 4.20 -1.44 -2.21 115.11 122.53 1ix1 h GLN 51 Ca 0.45 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.03 1ix1 h GLN 51 Cb 0.66 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.36 1ix1 h GLN 51 CO -0.21 0.13 0.13 1.33 -0.67 0.00 0.00 178.83 179.53 1ix1 n VAL 52 N -3.49 2.71 -2.20 -0.54 0.24 -0.58 -0.33 118.33 114.13 1ix1 n VAL 52 Ca -0.01 -1.82 -0.16 0.00 -2.04 0.00 0.00 64.34 60.31 1ix1 n VAL 52 Cb 0.28 -0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 32.32 1ix1 n VAL 52 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ix1 n ASN 53 N -0.28 -4.74 -4.09 -1.34 4.05 -0.83 -4.84 115.26 103.19 1ix1 n ASN 53 Ca 0.33 0.03 -0.33 0.00 0.45 0.00 0.00 54.58 55.07 1ix1 n ASN 53 Cb 1.20 -3.84 -0.15 0.00 1.23 0.00 0.00 39.78 38.22 1ix1 n ASN 53 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ix1 s VAL 54 N -2.76 2.34 -1.28 3.44 1.01 -0.54 -5.01 120.40 117.60 1ix1 s VAL 54 Ca 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 61.98 60.34 1ix1 s VAL 54 Cb 0.00 -2.36 0.16 0.00 0.00 0.00 0.00 36.38 34.18 1ix1 s VAL 54 CO 0.00 -0.03 2.08 1.41 0.00 0.00 0.00 175.10 178.55 1ix1 n HIS 55 N 4.48 2.73 -4.31 5.22 8.25 -1.26 -2.28 115.22 128.04 1ix1 n HIS 55 Ca -0.14 -2.78 -0.22 0.00 -0.26 0.00 0.00 57.72 54.32 1ix1 n HIS 55 Cb 0.42 -1.83 -0.13 0.00 1.12 0.00 0.00 29.99 29.57 1ix1 n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1ix1 s LYS 56 N -0.61 1.05 -1.26 -0.41 1.02 -1.26 -1.17 119.74 117.10 1ix1 s LYS 56 Ca 0.45 -1.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1ix1 s LYS 56 Cb 0.13 -1.19 0.06 0.00 -0.52 0.00 0.00 37.83 36.31 1ix1 s LYS 56 CO -0.04 0.28 1.72 1.03 -0.92 0.00 0.00 175.35 177.43 1ix1 s ARG 57 N -1.67 3.86 -0.04 1.68 0.52 -0.27 -4.48 118.95 118.54 1ix1 s ARG 57 Ca 0.04 -1.85 0.02 0.00 -0.52 0.00 0.00 55.73 53.41 1ix1 s ARG 57 Cb -0.10 -5.50 0.01 0.00 0.52 0.00 0.00 34.95 29.89 1ix1 s ARG 57 CO 0.03 -2.36 -0.07 0.42 0.02 0.00 0.00 175.30 173.34 1ix1 s ILE 58 N 4.72 0.71 -0.01 1.52 1.01 -1.26 -0.89 121.20 127.00 1ix1 s ILE 58 Ca 0.54 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1ix1 s ILE 58 Cb 0.03 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1ix1 s ILE 58 CO 0.06 0.25 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 1ix1 s VAL 59 N 0.61 0.76 0.12 2.92 1.01 0.22 -1.47 120.40 124.56 1ix1 s VAL 59 Ca -0.09 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1ix1 s VAL 59 Cb -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1ix1 s VAL 59 CO 0.01 0.22 -0.18 0.68 0.00 0.00 0.00 175.10 175.82 1ix1 s VAL 60 N -0.19 1.61 0.14 2.92 -7.23 -0.65 -0.64 120.40 116.35 1ix1 s VAL 60 Ca 0.03 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 1ix1 s VAL 60 Cb -0.04 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1ix1 s VAL 60 CO -0.00 -0.21 0.35 -0.04 -0.31 0.00 0.00 175.10 174.88 1ix1 s MET 61 N -2.27 1.09 -0.29 4.82 -1.94 -0.09 -1.57 119.30 119.05 1ix1 s MET 61 Ca 0.08 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 1ix1 s MET 61 Cb -0.08 0.43 0.19 0.00 2.01 0.00 0.00 34.83 37.39 1ix1 s MET 61 CO 0.04 -0.41 0.75 0.34 -0.01 0.00 0.00 175.02 175.73 1ix1 s ASP 62 N -2.86 -1.22 0.00 3.03 -1.08 -0.62 0.61 116.67 114.53 1ix1 s ASP 62 Ca 0.07 0.15 0.29 0.00 -0.52 0.00 0.00 52.55 52.54 1ix1 s ASP 62 Cb 0.02 1.78 1.23 0.00 -1.46 0.00 0.00 42.92 44.49 1ix1 s ASP 62 CO -0.08 -0.22 1.87 0.18 0.52 0.00 0.00 175.17 177.44 1ix1 n LEU 63 N 5.31 0.36 -4.77 -1.34 4.77 -1.26 -4.59 117.00 115.48 1ix1 n LEU 63 Ca 0.06 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1ix1 n LEU 63 Cb 0.55 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.57 1ix1 n LEU 63 CO -0.09 0.07 0.72 -0.94 -1.33 0.00 0.00 177.39 175.81 1ix1 s SER 64 N -2.56 3.12 0.00 -1.43 1.04 -1.26 -4.98 113.70 107.62 1ix1 s SER 64 Ca 0.26 0.87 0.23 0.00 0.48 0.00 0.00 55.95 57.80 1ix1 s SER 64 Cb 0.20 -1.36 0.08 0.00 0.10 0.00 0.00 66.02 65.04 1ix1 s SER 64 CO 0.49 -2.79 1.16 -0.62 0.98 0.00 0.00 173.24 172.46 1ix1 n GLU 65 N -3.90 1.47 -1.13 4.02 1.02 -1.26 -4.48 120.64 116.37 1ix1 n GLU 65 Ca 0.08 -1.20 0.05 0.00 -0.02 0.00 0.00 57.16 56.07 1ix1 n GLU 65 Cb 0.59 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.63 1ix1 n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ix1 n ASP 66 N 0.28 1.26 -3.43 1.62 5.75 -1.26 -5.00 116.55 115.77 1ix1 n ASP 66 Ca 0.11 -2.72 -0.25 0.00 -0.01 0.00 0.00 54.79 51.92 1ix1 n ASP 66 Cb 0.49 -0.38 0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1ix1 n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ix1 n LYS 67 N -0.13 -4.63 -0.03 0.11 5.02 -1.26 -4.87 118.16 112.36 1ix1 n LYS 67 Ca 0.11 0.65 0.06 0.00 -2.02 0.00 0.00 58.31 57.11 1ix1 n LYS 67 Cb 0.96 -5.47 0.07 0.00 -0.02 0.00 0.00 35.03 30.58 1ix1 n LYS 67 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ix1 n SER 68 N -2.54 2.23 -2.96 4.39 3.41 -1.26 -4.72 113.62 112.17 1ix1 n SER 68 Ca -0.02 -1.61 -0.21 0.00 -0.26 0.00 0.00 58.87 56.76 1ix1 n SER 68 Cb 0.56 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1ix1 n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ix1 n GLU 69 N 0.72 2.12 -1.93 4.33 1.02 -1.26 -5.06 120.64 120.57 1ix1 n GLU 69 Ca 0.08 -4.05 -0.40 0.00 -0.02 0.00 0.00 57.16 52.78 1ix1 n GLU 69 Cb 0.34 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1ix1 n GLU 69 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ix1 s PRO 70 N -3.03 3.95 -0.00 3.49 0.04 -1.26 -4.23 135.00 133.96 1ix1 s PRO 70 Ca 0.43 2.33 0.03 0.00 0.04 0.00 0.00 61.00 63.82 1ix1 s PRO 70 Cb 0.34 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1ix1 s PRO 70 CO -0.10 -0.57 -0.09 1.03 0.04 0.00 0.00 177.00 177.31 1ix1 s ARG 71 N -2.23 0.68 -0.07 4.56 0.52 0.20 -4.96 118.95 117.66 1ix1 s ARG 71 Ca 0.56 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.47 1ix1 s ARG 71 Cb -0.42 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.41 1ix1 s ARG 71 CO 0.54 0.18 -0.16 0.08 0.02 0.00 0.00 175.30 175.96 1ix1 s VAL 72 N -0.27 1.40 -0.13 3.52 1.01 -1.26 -0.91 120.40 123.76 1ix1 s VAL 72 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1ix1 s VAL 72 Cb -0.04 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1ix1 s VAL 72 CO -0.00 0.41 -0.05 -0.36 0.00 0.00 0.00 175.10 175.10 1ix1 s PHE 73 N 0.43 1.42 -0.11 5.22 0.40 0.18 -4.42 117.98 121.11 1ix1 s PHE 73 Ca -0.13 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1ix1 s PHE 73 Cb -0.15 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1ix1 s PHE 73 CO 0.04 -0.53 -0.09 0.42 0.70 0.00 0.00 175.22 175.76 1ix1 s ILE 74 N 1.73 3.43 -1.41 0.64 1.01 -0.29 -0.61 121.20 125.70 1ix1 s ILE 74 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1ix1 s ILE 74 Cb -0.14 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1ix1 s ILE 74 CO -0.08 0.55 0.64 0.59 0.00 0.00 0.00 174.94 176.65 1ix1 n ASN 75 N 2.97 -1.57 -4.79 3.58 3.02 -0.07 -0.74 115.26 117.66 1ix1 n ASN 75 Ca -0.18 -0.90 -0.34 0.00 -0.03 0.00 0.00 54.58 53.14 1ix1 n ASN 75 Cb 0.53 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.13 1ix1 n ASN 75 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ix1 s PRO 76 N -6.37 3.58 0.06 3.52 0.04 -1.26 -4.51 135.00 130.06 1ix1 s PRO 76 Ca 0.16 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1ix1 s PRO 76 Cb -0.08 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1ix1 s PRO 76 CO 0.85 -0.62 0.33 -1.83 0.04 0.00 0.00 177.00 175.77 1ix1 s GLU 77 N -3.47 0.88 0.05 4.56 -1.05 -0.41 -5.00 118.70 114.25 1ix1 s GLU 77 Ca 0.67 -0.56 -0.04 0.00 -0.15 0.00 0.00 54.97 54.89 1ix1 s GLU 77 Cb -0.18 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 1ix1 s GLU 77 CO 0.26 -0.30 0.05 -0.59 0.95 0.00 0.00 175.26 175.63 1ix1 s PHE 78 N -2.89 0.31 -0.04 4.83 -0.12 -1.26 -1.27 117.98 117.53 1ix1 s PHE 78 Ca -0.03 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 1ix1 s PHE 78 Cb 0.00 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1ix1 s PHE 78 CO -0.05 -0.37 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.50 1ix1 s GLU 79 N -3.07 0.75 0.46 1.99 0.41 -0.55 -4.96 118.70 113.74 1ix1 s GLU 79 Ca -0.01 -0.07 -0.24 0.00 -0.41 0.00 0.00 54.97 54.24 1ix1 s GLU 79 Cb 0.02 -0.80 -0.07 0.00 -1.78 0.00 0.00 34.13 31.49 1ix1 s GLU 79 CO -0.07 -0.10 1.33 -2.14 -0.49 0.00 0.00 175.26 173.80 1ix1 s PRO 80 N 1.00 3.65 0.00 0.39 0.02 -1.26 -0.88 135.00 137.91 1ix1 s PRO 80 Ca -0.10 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.21 1ix1 s PRO 80 Cb -0.14 -2.55 0.10 0.00 0.02 0.00 0.00 34.50 31.93 1ix1 s PRO 80 CO -0.00 -0.77 0.86 1.28 -0.33 0.00 0.00 177.00 178.04 1ix1 n LEU 81 N -0.34 1.94 -3.69 -5.54 4.77 0.30 -4.82 117.00 109.61 1ix1 n LEU 81 Ca 0.06 -1.20 -0.10 0.00 -0.03 0.00 0.00 56.01 54.74 1ix1 n LEU 81 Cb 0.44 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1ix1 n LEU 81 CO 0.55 0.41 0.11 0.28 -1.33 0.00 0.00 177.39 177.41 1ix1 s THR 82 N -0.79 0.08 -0.14 -5.08 -1.32 -1.24 -5.00 115.64 102.15 1ix1 s THR 82 Ca 0.12 -0.72 0.21 0.00 -1.21 0.00 0.00 61.69 60.09 1ix1 s THR 82 Cb 0.08 -1.24 -0.16 0.00 -1.51 0.00 0.00 72.50 69.67 1ix1 s THR 82 CO 0.11 -0.37 0.74 1.21 -2.21 0.00 0.00 174.62 174.11 1ix1 n GLU 83 N -0.20 0.63 -1.76 7.08 2.13 -1.26 -4.79 120.64 122.47 1ix1 n GLU 83 Ca -0.15 0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.27 1ix1 n GLU 83 Cb 0.63 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.62 1ix1 n GLU 83 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ix1 s ASP 84 N -5.17 6.45 -0.02 4.31 -1.08 -1.26 -4.94 116.67 114.96 1ix1 s ASP 84 Ca -0.04 2.75 -0.03 0.00 -0.52 0.00 0.00 52.55 54.71 1ix1 s ASP 84 Cb 0.11 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.95 1ix1 s ASP 84 CO 0.84 -0.96 0.17 -0.04 0.52 0.00 0.00 175.17 175.69 1ix1 s MET 85 N 2.11 3.40 -0.07 4.34 -1.94 -1.26 -2.16 119.30 123.73 1ix1 s MET 85 Ca 0.77 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 54.47 1ix1 s MET 85 Cb -0.46 -3.08 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 1ix1 s MET 85 CO 0.34 0.68 -0.20 -0.51 -0.01 0.00 0.00 175.02 175.33 1ix1 s ASP 86 N -1.84 3.53 -0.22 3.03 1.11 0.38 -4.83 116.67 117.82 1ix1 s ASP 86 Ca 0.26 -0.38 -0.10 0.00 0.18 0.00 0.00 52.55 52.50 1ix1 s ASP 86 Cb -0.12 -0.97 -0.05 0.00 1.07 0.00 0.00 42.92 42.84 1ix1 s ASP 86 CO 0.17 0.26 0.15 -1.58 1.18 0.00 0.00 175.17 175.35 1ix1 s GLN 87 N -0.24 4.12 -0.01 8.23 0.74 -1.26 -1.98 119.66 129.26 1ix1 s GLN 87 Ca -0.00 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1ix1 s GLN 87 Cb -0.13 -3.49 -0.00 0.00 1.10 0.00 0.00 33.01 30.48 1ix1 s GLN 87 CO 0.03 0.15 -0.05 -0.47 -0.55 0.00 0.00 175.29 174.41 1ix1 s TYR 88 N 0.79 0.43 -0.57 1.67 5.04 -1.06 -4.95 117.35 118.70 1ix1 s TYR 88 Ca 0.08 -0.08 -0.28 0.00 -2.44 0.00 0.00 57.07 54.35 1ix1 s TYR 88 Cb -0.13 -0.29 0.01 0.00 0.35 0.00 0.00 41.96 41.90 1ix1 s TYR 88 CO 0.02 -0.02 1.48 -0.65 -1.34 0.00 0.00 175.55 175.04 1ix1 s GLN 89 N -0.02 3.20 -0.04 4.97 -1.52 -1.26 -2.33 119.66 122.66 1ix1 s GLN 89 Ca 0.01 0.45 -0.05 0.00 -1.95 0.00 0.00 55.36 53.82 1ix1 s GLN 89 Cb -0.03 -4.17 -0.04 0.00 -0.22 0.00 0.00 33.01 28.55 1ix1 s GLN 89 CO -0.00 -2.07 0.19 -1.21 -0.25 0.00 0.00 175.29 171.95 1ix1 s GLU 90 N 5.75 3.47 0.37 2.91 2.02 -0.67 -4.86 118.70 127.69 1ix1 s GLU 90 Ca 0.54 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.36 1ix1 s GLU 90 Cb -0.11 -3.12 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 1ix1 s GLU 90 CO 0.24 0.70 0.06 0.20 0.02 0.00 0.00 175.26 176.48 1ix1 s GLY 91 N -1.61 2.30 -0.18 -1.39 0.00 -1.26 -2.06 107.32 103.13 1ix1 s GLY 91 Ca 0.23 -1.83 -0.14 0.00 0.00 0.00 0.00 44.72 42.99 1ix1 s GLY 91 CO 0.14 -1.89 0.46 0.00 0.00 0.00 0.00 173.10 171.81 1ix1 h LEU 93 N 6.02 0.00 -1.30 0.00 3.38 -1.96 -0.73 115.31 120.72 1ix1 h LEU 93 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ix1 h LEU 93 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ix1 h LEU 93 CO 0.24 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.57 1ix1 n SER 94 N -3.05 2.01 -3.04 -0.43 7.64 -1.26 -4.12 113.62 111.37 1ix1 n SER 94 Ca -0.01 -1.67 -0.15 0.00 1.01 0.00 0.00 58.87 58.04 1ix1 n SER 94 Cb 0.17 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1ix1 n SER 94 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ix1 n VAL 95 N 0.57 0.12 -1.63 0.44 0.31 -0.30 0.10 118.33 117.94 1ix1 n VAL 95 Ca 0.17 -4.11 -0.47 0.00 -0.01 0.00 0.00 64.34 59.92 1ix1 n VAL 95 Cb 0.44 0.02 -0.04 0.00 -0.91 0.00 0.00 33.84 33.35 1ix1 n VAL 95 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ix1 n PRO 96 N 0.19 1.70 -0.29 5.55 -0.04 -1.11 -2.94 135.00 138.07 1ix1 n PRO 96 Ca 0.20 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1ix1 n PRO 96 Cb 0.70 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1ix1 n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ix1 n GLY 97 N 2.31 1.16 3.37 0.55 0.00 -1.26 -5.05 105.19 106.27 1ix1 n GLY 97 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1ix1 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ix1 s PHE 98 N -2.82 2.69 -0.12 1.61 0.40 -1.15 -5.10 117.98 113.48 1ix1 s PHE 98 Ca 0.00 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1ix1 s PHE 98 Cb 0.00 -1.73 0.04 0.00 0.51 0.00 0.00 43.02 41.84 1ix1 s PHE 98 CO 0.00 -0.12 -0.01 0.71 0.70 0.00 0.00 175.22 176.49 1ix1 s TYR 99 N -0.04 1.07 0.06 0.36 1.51 -1.26 -4.29 117.35 114.75 1ix1 s TYR 99 Ca -0.04 -0.57 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 1ix1 s TYR 99 Cb -0.14 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1ix1 s TYR 99 CO 0.04 -0.47 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.68 1ix1 s GLU 100 N 1.84 0.74 0.32 -0.62 0.41 -0.87 -4.87 118.70 115.64 1ix1 s GLU 100 Ca 0.03 -0.90 -0.29 0.00 -0.41 0.00 0.00 54.97 53.40 1ix1 s GLU 100 Cb -0.14 -0.68 -0.10 0.00 -1.78 0.00 0.00 34.13 31.44 1ix1 s GLU 100 CO -0.07 0.15 1.22 -0.80 -0.49 0.00 0.00 175.26 175.27 1ix1 s ASN 101 N -1.70 6.92 -0.02 -0.19 0.01 -1.26 -1.68 114.94 117.02 1ix1 s ASN 101 Ca -0.04 2.52 -0.01 0.00 -0.71 0.00 0.00 52.86 54.62 1ix1 s ASN 101 Cb -0.10 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 38.95 1ix1 s ASN 101 CO 0.02 -0.41 0.05 -0.69 -1.51 0.00 0.00 177.10 174.55 1ix1 s VAL 102 N -1.17 -0.05 -0.23 1.60 1.01 -0.98 -4.93 120.40 115.65 1ix1 s VAL 102 Ca 0.48 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 1ix1 s VAL 102 Cb -0.36 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1ix1 s VAL 102 CO 0.48 0.07 0.33 -1.81 0.00 0.00 0.00 175.10 174.17 1ix1 s ASP 103 N 0.91 6.29 0.05 3.32 1.01 -1.26 -2.57 116.67 124.42 1ix1 s ASP 103 Ca -0.07 0.34 -0.00 0.00 0.71 0.00 0.00 52.55 53.52 1ix1 s ASP 103 Cb -0.11 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1ix1 s ASP 103 CO -0.03 -0.07 -0.04 -0.13 0.21 0.00 0.00 175.17 175.11 1ix1 s ARG 104 N 1.49 0.55 0.33 8.23 0.52 -0.84 -4.93 118.95 124.31 1ix1 s ARG 104 Ca 0.15 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.04 1ix1 s ARG 104 Cb -0.15 0.08 -0.12 0.00 0.52 0.00 0.00 34.95 35.28 1ix1 s ARG 104 CO 0.08 -0.07 1.37 -2.30 0.02 0.00 0.00 175.30 174.40 1ix1 n PRO 105 N 0.62 2.27 0.03 3.54 -0.02 -1.26 -0.47 135.00 139.70 1ix1 n PRO 105 Ca -0.17 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1ix1 n PRO 105 Cb 0.59 -2.43 0.53 0.00 -0.02 0.00 0.00 33.50 32.16 1ix1 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ix1 n GLN 106 N 0.89 0.07 -3.75 -0.52 -0.00 -0.92 -4.74 117.38 108.41 1ix1 n GLN 106 Ca 0.05 0.05 -0.16 0.00 -0.00 0.00 0.00 57.00 56.95 1ix1 n GLN 106 Cb 0.36 -1.58 -0.16 0.00 -0.00 0.00 0.00 30.24 28.86 1ix1 n GLN 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ix1 s LYS 107 N -3.03 -0.03 0.08 2.61 2.20 -1.26 -3.62 119.74 116.69 1ix1 s LYS 107 Ca 0.13 0.25 -0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1ix1 s LYS 107 Cb 0.17 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1ix1 s LYS 107 CO 0.56 -0.20 -0.01 0.14 -0.36 0.00 0.00 175.35 175.48 1ix1 s VAL 108 N 1.31 0.29 -0.18 4.02 -7.23 -0.07 -0.54 120.40 117.99 1ix1 s VAL 108 Ca -0.06 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1ix1 s VAL 108 Cb -0.13 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.09 1ix1 s VAL 108 CO -0.03 -0.82 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.29 1ix1 s ARG 109 N -3.94 3.52 -0.09 4.82 3.52 -0.06 -0.13 118.95 126.60 1ix1 s ARG 109 Ca 0.13 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1ix1 s ARG 109 Cb 0.07 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1ix1 s ARG 109 CO -0.06 0.04 0.09 0.42 -0.81 0.00 0.00 175.30 174.98 1ix1 s ILE 110 N 0.88 5.03 -0.08 4.11 1.01 0.15 -1.48 121.20 130.82 1ix1 s ILE 110 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1ix1 s ILE 110 Cb -0.15 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1ix1 s ILE 110 CO 0.01 0.57 -0.14 -0.54 0.00 0.00 0.00 174.94 174.84 1ix1 s LYS 111 N -1.12 1.91 0.17 2.79 1.02 -0.40 -0.38 119.74 123.73 1ix1 s LYS 111 Ca 0.16 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.46 1ix1 s LYS 111 Cb -0.12 -1.58 0.08 0.00 -0.52 0.00 0.00 37.83 35.69 1ix1 s LYS 111 CO 0.05 0.01 1.03 0.00 -0.92 0.00 0.00 175.35 175.52 1ix1 n ALA 112 N 3.91 -2.69 -2.67 5.17 0.00 -0.82 -1.29 120.51 122.12 1ix1 n ALA 112 Ca -0.21 -0.99 -0.35 0.00 0.00 0.00 0.00 53.44 51.89 1ix1 n ALA 112 Cb 0.52 0.54 -0.10 0.00 0.00 0.00 0.00 19.45 20.41 1ix1 n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ix1 s LEU 113 N 0.00 3.51 0.00 0.00 1.43 0.08 -0.70 118.68 123.00 1ix1 s LEU 113 Ca 0.23 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1ix1 s LEU 113 Cb -0.03 -1.81 0.20 0.00 0.03 0.00 0.00 46.19 44.58 1ix1 s LEU 113 CO 0.05 0.37 1.17 -0.90 0.23 0.00 0.00 176.35 177.28 1ix1 n ASP 114 N 2.11 0.27 0.27 2.29 5.68 0.11 -1.14 116.55 126.14 1ix1 n ASP 114 Ca -0.18 -1.53 0.16 0.00 -0.50 0.00 0.00 54.79 52.73 1ix1 n ASP 114 Cb 0.53 -0.88 0.85 0.00 -1.14 0.00 0.00 41.12 40.48 1ix1 n ASP 114 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1ix1 h ARG 115 N 0.00 0.00 -0.01 0.11 0.11 -1.89 0.20 114.38 112.89 1ix1 h ARG 115 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1ix1 h ARG 115 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1ix1 h ARG 115 CO 0.29 0.00 -0.58 -0.25 0.10 0.00 0.00 179.97 179.53 1ix1 n ASP 116 N -2.69 1.70 0.00 0.08 8.00 -1.26 -4.96 116.55 117.42 1ix1 n ASP 116 Ca -0.02 -1.33 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1ix1 n ASP 116 Cb 0.17 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1ix1 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ix1 n GLY 117 N 1.43 0.81 3.81 0.44 0.00 0.70 -4.95 105.19 107.42 1ix1 n GLY 117 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ix1 n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ix1 s ASN 118 N -2.26 6.62 0.42 1.61 0.02 -1.26 -4.71 114.94 115.38 1ix1 s ASN 118 Ca 0.00 0.74 -0.24 0.00 -1.02 0.00 0.00 52.86 52.33 1ix1 s ASN 118 Cb 0.00 -2.20 -0.08 0.00 0.02 0.00 0.00 41.25 38.99 1ix1 s ASN 118 CO 0.00 0.27 1.13 -2.16 0.02 0.00 0.00 177.10 176.35 1ix1 s PRO 119 N -0.57 4.00 0.17 -0.60 0.04 -1.26 0.05 135.00 136.83 1ix1 s PRO 119 Ca 0.20 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 1ix1 s PRO 119 Cb -0.15 -2.55 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1ix1 s PRO 119 CO 0.09 -0.33 0.48 -0.59 0.04 0.00 0.00 177.00 176.69 1ix1 s PHE 120 N -1.54 -0.17 -0.06 0.56 -0.12 0.12 -4.90 117.98 111.88 1ix1 s PHE 120 Ca 0.59 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.35 1ix1 s PHE 120 Cb -0.27 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.48 1ix1 s PHE 120 CO 0.34 -0.84 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.33 1ix1 s GLU 121 N -3.84 1.67 -0.06 1.99 2.02 -1.26 -1.95 118.70 117.27 1ix1 s GLU 121 Ca 0.07 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.62 1ix1 s GLU 121 Cb 0.00 -1.40 0.01 0.00 0.10 0.00 0.00 34.13 32.84 1ix1 s GLU 121 CO -0.07 0.09 -0.11 -2.00 0.02 0.00 0.00 175.26 173.19 1ix1 s GLU 122 N 0.46 1.51 0.00 1.61 2.12 0.48 -4.94 118.70 119.95 1ix1 s GLU 122 Ca -0.11 -0.36 -0.26 0.00 0.36 0.00 0.00 54.97 54.61 1ix1 s GLU 122 Cb -0.14 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 1ix1 s GLU 122 CO 0.03 0.02 0.80 0.08 -0.54 0.00 0.00 175.26 175.65 1ix1 s VAL 123 N 0.67 4.84 -0.00 3.70 1.01 -1.26 0.29 120.40 129.65 1ix1 s VAL 123 Ca -0.13 1.69 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1ix1 s VAL 123 Cb -0.15 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1ix1 s VAL 123 CO 0.03 0.28 -0.13 0.00 0.00 0.00 0.00 175.10 175.28 1ix1 s ALA 124 N 0.45 1.07 0.31 5.51 0.00 0.82 -4.96 121.76 124.96 1ix1 s ALA 124 Ca 0.42 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1ix1 s ALA 124 Cb -0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ix1 s ALA 124 CO 0.23 0.26 0.19 -1.21 0.00 0.00 0.00 175.76 175.22 1ix1 s GLU 125 N -0.39 1.64 4.51 0.00 2.02 -1.26 -0.90 118.70 124.32 1ix1 s GLU 125 Ca 0.05 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.09 1ix1 s GLU 125 Cb -0.05 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.19 1ix1 s GLU 125 CO -0.00 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1ix1 n GLY 126 N -0.60 2.46 0.32 -1.39 0.00 -1.24 -2.57 105.19 102.18 1ix1 n GLY 126 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1ix1 n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ix1 h LEU 127 N 0.00 0.84 -1.04 0.99 5.85 -1.99 -2.01 115.31 117.95 1ix1 h LEU 127 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1ix1 h LEU 127 Cb 0.00 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1ix1 h LEU 127 CO 0.00 0.54 0.65 0.25 -0.34 0.00 0.00 178.44 179.54 1ix1 h LEU 128 N 0.98 1.11 -0.68 2.25 5.85 -1.94 0.47 115.31 123.35 1ix1 h LEU 128 Ca 0.37 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.02 1ix1 h LEU 128 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1ix1 h LEU 128 CO -0.16 0.79 0.24 0.00 -0.34 0.00 0.00 178.44 178.97 1ix1 h ALA 129 N 1.40 0.89 -0.10 1.25 0.00 -1.10 -1.42 119.26 120.18 1ix1 h ALA 129 Ca 0.37 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ix1 h ALA 129 Cb -0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1ix1 h ALA 129 CO -0.09 0.54 -0.07 0.28 0.00 0.00 0.00 179.25 179.90 1ix1 h VAL 130 N 0.98 1.34 -0.53 0.00 2.07 -1.06 -3.09 116.25 115.96 1ix1 h VAL 130 Ca 0.22 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1ix1 h VAL 130 Cb 0.26 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1ix1 h VAL 130 CO -0.01 0.33 0.32 0.00 0.02 0.00 0.00 177.57 178.23 1ix1 h ILE 132 N 0.71 1.21 -0.30 0.00 6.09 -1.33 0.22 117.51 124.12 1ix1 h ILE 132 Ca 0.19 -0.60 -0.11 0.00 -1.37 0.00 0.00 64.86 62.96 1ix1 h ILE 132 Cb -0.01 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 37.68 1ix1 h ILE 132 CO -0.04 0.25 -0.25 1.56 -3.07 0.00 0.00 178.15 176.60 1ix1 h GLN 133 N 0.90 0.69 -0.40 2.19 4.20 -1.40 -0.08 115.11 121.22 1ix1 h GLN 133 Ca 0.22 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1ix1 h GLN 133 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1ix1 h GLN 133 CO -0.03 0.96 0.23 1.25 -0.67 0.00 0.00 178.83 180.58 1ix1 h HIS 134 N 0.44 0.44 -0.35 2.96 2.76 -0.53 -1.18 115.15 119.69 1ix1 h HIS 134 Ca 0.05 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1ix1 h HIS 134 Cb 0.81 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1ix1 h HIS 134 CO 0.07 0.26 -0.18 0.93 -1.30 0.00 0.00 177.93 177.71 1ix1 h GLU 135 N 0.48 0.74 -0.67 5.26 4.39 -0.46 -2.88 114.58 121.44 1ix1 h GLU 135 Ca 0.16 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1ix1 h GLU 135 Cb 0.01 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1ix1 h GLU 135 CO -0.07 0.94 0.30 0.00 -1.16 0.00 0.00 179.01 179.02 1ix1 h ASP 137 N 0.95 0.64 -0.67 0.00 3.32 -1.08 -1.69 116.42 117.90 1ix1 h ASP 137 Ca 0.23 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.38 1ix1 h ASP 137 Cb 0.13 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1ix1 h ASP 137 CO -0.03 0.41 0.34 0.45 -1.72 0.00 0.00 179.24 178.69 1ix1 h HIS 138 N 0.77 0.61 0.00 4.55 3.86 -1.17 0.13 115.15 123.91 1ix1 h HIS 138 Ca 0.33 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1ix1 h HIS 138 Cb 0.19 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ix1 h HIS 138 CO -0.06 0.25 0.00 -0.07 0.86 0.00 0.00 177.93 178.91 1ix1 h LEU 139 N 0.60 0.00 -3.27 2.43 3.38 -1.13 0.02 115.31 117.35 1ix1 h LEU 139 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ix1 h LEU 139 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ix1 h LEU 139 CO -0.23 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.89 1ix1 n ASN 140 N -2.90 4.60 -1.20 -0.43 3.02 0.04 -0.98 115.26 117.40 1ix1 n ASN 140 Ca -0.02 -2.70 -0.12 0.00 -0.03 0.00 0.00 54.58 51.72 1ix1 n ASN 140 Cb 0.13 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 1ix1 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ix1 n GLY 141 N 0.46 0.27 3.53 7.41 0.00 -0.00 -4.79 105.19 112.06 1ix1 n GLY 141 Ca 0.24 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1ix1 n GLY 141 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ix1 s LYS 142 N -4.14 2.43 0.23 1.61 2.20 0.25 -4.50 119.74 117.82 1ix1 s LYS 142 Ca 0.00 -0.77 0.11 0.00 -0.36 0.00 0.00 55.97 54.96 1ix1 s LYS 142 Cb 0.00 -2.40 -0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1ix1 s LYS 142 CO 0.00 0.60 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.88 1ix1 s LEU 143 N -1.19 2.58 0.54 5.43 1.43 -1.26 -2.99 118.68 123.21 1ix1 s LEU 143 Ca 0.15 -0.89 0.26 0.00 -1.03 0.00 0.00 54.13 52.62 1ix1 s LEU 143 Cb -0.11 -1.21 1.52 0.00 0.03 0.00 0.00 46.19 46.42 1ix1 s LEU 143 CO 0.05 0.08 2.13 2.19 0.23 0.00 0.00 176.35 181.03 1ix1 h PHE 144 N 2.76 0.00 0.00 0.29 -5.15 -1.97 -0.51 116.94 112.36 1ix1 h PHE 144 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1ix1 h PHE 144 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1ix1 h PHE 144 CO 0.73 0.08 0.00 1.33 -2.00 0.00 0.00 178.31 178.46 1ix1 n VAL 145 N -3.81 0.92 0.38 0.88 0.24 -1.26 -1.87 118.33 113.81 1ix1 n VAL 145 Ca -0.02 0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.68 1ix1 n VAL 145 Cb 0.18 -1.16 0.53 0.00 -1.47 0.00 0.00 33.84 31.92 1ix1 n VAL 145 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ix1 h ASP 146 N 0.00 0.00 0.66 -1.34 3.32 -1.50 -2.22 116.42 115.35 1ix1 h ASP 146 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ix1 h ASP 146 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ix1 h ASP 146 CO 0.00 0.00 -0.69 -1.22 -1.72 0.00 0.00 179.24 175.61 1ix1 n TYR 147 N -2.41 0.33 -2.09 4.55 4.02 -0.78 -4.93 117.16 115.85 1ix1 n TYR 147 Ca 0.02 0.10 -0.27 0.00 -0.01 0.00 0.00 57.90 57.73 1ix1 n TYR 147 Cb 0.25 -0.49 0.07 0.00 -0.02 0.00 0.00 39.34 39.15 1ix1 n TYR 147 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ix1 s LEU 148 N -3.81 2.77 0.94 7.72 1.43 -0.83 -5.05 118.68 121.85 1ix1 s LEU 148 Ca 0.07 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1ix1 s LEU 148 Cb 0.15 -3.30 0.16 0.00 0.03 0.00 0.00 46.19 43.23 1ix1 s LEU 148 CO 0.73 -1.61 1.10 -0.94 0.23 0.00 0.00 176.35 175.86 1ix1 s SER 149 N -4.50 2.86 0.16 2.29 1.04 -1.26 -4.78 113.70 109.51 1ix1 s SER 149 Ca 0.60 1.83 -0.14 0.00 0.48 0.00 0.00 55.95 58.72 1ix1 s SER 149 Cb -0.11 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.65 1ix1 s SER 149 CO 0.47 -3.08 1.75 0.74 0.98 0.00 0.00 173.24 174.10 1ix1 h THR 150 N -1.85 1.19 -0.28 2.02 2.02 -1.96 -1.78 112.91 112.26 1ix1 h THR 150 Ca -0.49 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.03 1ix1 h THR 150 Cb 1.28 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1ix1 h THR 150 CO 0.48 0.21 -0.39 -0.07 0.37 0.00 0.00 175.52 176.12 1ix1 h LEU 151 N 0.70 0.70 -0.23 2.58 3.38 -1.99 -1.86 115.31 118.59 1ix1 h LEU 151 Ca 0.18 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1ix1 h LEU 151 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ix1 h LEU 151 CO -0.02 1.01 -0.01 0.50 0.09 0.00 0.00 178.44 180.01 1ix1 h LYS 152 N 0.55 0.42 -0.82 1.13 3.64 -1.89 -1.01 116.57 118.59 1ix1 h LYS 152 Ca 0.05 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1ix1 h LYS 152 Cb 0.91 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1ix1 h LYS 152 CO 0.08 0.60 0.46 -0.09 -2.27 0.00 0.00 179.45 178.24 1ix1 h ARG 153 N 0.19 1.13 -0.11 1.90 2.43 -1.30 -1.47 114.38 117.16 1ix1 h ARG 153 Ca 0.07 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1ix1 h ARG 153 Cb 0.42 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ix1 h ARG 153 CO 0.01 0.83 -0.42 0.22 -1.51 0.00 0.00 179.97 179.10 1ix1 h ASP 154 N 1.13 0.26 -0.50 -3.80 -0.00 -1.23 -0.29 116.42 112.00 1ix1 h ASP 154 Ca 0.29 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 57.15 1ix1 h ASP 154 Cb 0.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.25 1ix1 h ASP 154 CO -0.05 0.66 0.08 -0.09 -0.00 0.00 0.00 179.24 179.84 1ix1 h ARG 155 N 0.21 0.82 -0.56 0.28 2.43 -0.64 0.98 114.38 117.89 1ix1 h ARG 155 Ca 0.02 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1ix1 h ARG 155 Cb 0.83 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1ix1 h ARG 155 CO 0.07 0.82 0.04 0.82 -1.51 0.00 0.00 179.97 180.20 1ix1 h ILE 156 N 0.69 1.26 -0.08 1.20 2.04 -0.96 -1.23 117.51 120.43 1ix1 h ILE 156 Ca 0.15 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1ix1 h ILE 156 Cb 0.39 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ix1 h ILE 156 CO 0.01 0.38 0.04 -0.09 0.00 0.00 0.00 178.15 178.50 1ix1 h ARG 157 N 0.86 0.09 -0.82 2.37 2.43 -0.69 -1.40 114.38 117.22 1ix1 h ARG 157 Ca 0.16 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1ix1 h ARG 157 Cb 0.49 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1ix1 h ARG 157 CO 0.02 0.06 0.54 0.87 -1.51 0.00 0.00 179.97 179.95 1ix1 h LYS 158 N 0.09 1.09 -0.15 0.20 1.79 -0.63 -0.48 116.57 118.48 1ix1 h LYS 158 Ca 0.03 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1ix1 h LYS 158 Cb -0.00 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 1ix1 h LYS 158 CO -0.01 0.73 0.09 0.87 -1.08 0.00 0.00 179.45 180.04 1ix1 h LYS 159 N 1.12 0.18 -0.49 3.15 6.56 -0.90 -1.82 116.57 124.36 1ix1 h LYS 159 Ca 0.30 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.80 1ix1 h LYS 159 Cb -0.11 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 1ix1 h LYS 159 CO -0.06 0.12 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.36 1ix1 h LEU 160 N 0.18 0.79 -0.95 2.94 3.38 -0.94 -1.63 115.31 119.09 1ix1 h LEU 160 Ca 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1ix1 h LEU 160 Cb -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1ix1 h LEU 160 CO -0.03 0.87 0.16 -0.33 0.09 0.00 0.00 178.44 179.20 1ix1 h GLU 161 N 0.76 0.92 -0.34 1.13 5.08 -0.86 0.16 114.58 121.43 1ix1 h GLU 161 Ca 0.14 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1ix1 h GLU 161 Cb 0.48 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ix1 h GLU 161 CO 0.02 0.81 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.59 1ix1 h LYS 162 N 0.89 0.62 0.00 2.33 3.64 -1.01 -1.19 116.57 121.86 1ix1 h LYS 162 Ca 0.20 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ix1 h LYS 162 Cb 0.30 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ix1 h LYS 162 CO -0.00 0.77 -0.01 1.96 -2.27 0.00 0.00 179.45 179.90 1ix1 h GLN 163 N 0.42 -0.01 -0.72 1.90 4.20 -0.82 -0.76 115.11 119.31 1ix1 h GLN 163 Ca 0.09 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1ix1 h GLN 163 Cb 0.51 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1ix1 h GLN 163 CO 0.02 -0.01 0.48 0.45 -0.67 0.00 0.00 178.83 179.10 1ix1 h HIS 164 N -0.01 0.81 -0.35 2.96 3.86 -0.63 0.22 115.15 122.01 1ix1 h HIS 164 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1ix1 h HIS 164 Cb 0.01 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1ix1 h HIS 164 CO -0.08 0.46 0.09 -0.09 0.86 0.00 0.00 177.93 179.17 1ix1 h ARG 165 N 0.83 0.56 -0.34 2.45 2.43 -0.65 -2.10 114.38 117.55 1ix1 h ARG 165 Ca 0.30 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 1ix1 h ARG 165 Cb 0.14 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1ix1 h ARG 165 CO -0.09 0.60 -0.46 1.96 -1.51 0.00 0.00 179.97 180.47 1ix1 h GLN 166 N 0.42 0.90 -0.67 0.20 4.20 -0.29 -3.09 115.11 116.77 1ix1 h GLN 166 Ca 0.11 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 1ix1 h GLN 166 Cb 0.29 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1ix1 h GLN 166 CO -0.00 1.16 0.41 1.96 -0.67 0.00 0.00 178.83 181.69 1ix1 h GLN 167 N 0.71 0.90 0.00 1.46 4.20 -0.50 -1.25 115.11 120.64 1ix1 h GLN 167 Ca 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ix1 h GLN 167 Cb 1.06 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1ix1 h GLN 167 CO 0.11 0.62 -0.03 0.00 -0.67 0.00 0.00 178.83 178.85 1ix1 h ALA 168 N 1.54 1.02 -0.53 3.87 0.00 -1.30 -2.06 119.26 121.79 1ix1 h ALA 168 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ix1 h ALA 168 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ix1 h ALA 168 CO -0.05 0.04 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 1ix1 n HIS 169 N -3.16 0.88 1.01 0.00 1.44 -0.48 -5.12 115.22 109.80 1ix1 n HIS 169 Ca 0.00 -0.40 0.12 0.00 -2.01 0.00 0.00 57.72 55.43 1ix1 n HIS 169 Cb 0.30 -0.07 0.11 0.00 0.12 0.00 0.00 29.99 30.44 1ix1 n HIS 169 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14