#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 4.99 0.14 0.00 1.01 -1.26 -4.55 121.20 121.53 1ix1 s ILE 3 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.29 1ix1 s ILE 3 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1ix1 s ILE 3 CO 0.00 0.21 0.20 -0.76 0.00 0.00 0.00 174.94 174.59 1ix1 s LEU 4 N 0.94 4.09 0.15 2.97 1.43 -1.26 -5.03 118.68 121.97 1ix1 s LEU 4 Ca 0.41 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 1ix1 s LEU 4 Cb -0.18 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.27 1ix1 s LEU 4 CO 0.20 0.09 1.16 0.21 0.23 0.00 0.00 176.35 178.24 1ix1 s ASN 5 N -3.00 7.16 -0.28 2.29 3.84 -1.26 -4.95 114.94 118.73 1ix1 s ASN 5 Ca 0.33 2.13 -0.12 0.00 0.21 0.00 0.00 52.86 55.40 1ix1 s ASN 5 Cb -0.11 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1ix1 s ASN 5 CO 0.26 -0.33 0.23 -0.63 -2.79 0.00 0.00 177.10 173.84 1ix1 s ILE 6 N 0.12 5.28 0.48 -5.21 1.01 -1.26 -4.36 121.20 117.26 1ix1 s ILE 6 Ca 0.53 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.17 1ix1 s ILE 6 Cb -0.31 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 1ix1 s ILE 6 CO 0.34 0.20 1.26 -0.76 0.00 0.00 0.00 174.94 175.98 1ix1 s LEU 7 N 1.83 3.98 -0.01 2.97 1.43 0.37 -4.98 118.68 124.27 1ix1 s LEU 7 Ca 0.09 2.53 0.07 0.00 -1.03 0.00 0.00 54.13 55.78 1ix1 s LEU 7 Cb -0.16 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 1ix1 s LEU 7 CO 0.11 -1.15 -0.21 -1.61 0.23 0.00 0.00 176.35 173.71 1ix1 s GLU 8 N -2.71 1.71 0.32 1.70 2.02 -1.26 -4.33 118.70 116.15 1ix1 s GLU 8 Ca 0.65 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 1ix1 s GLU 8 Cb -0.34 -1.67 -0.13 0.00 0.10 0.00 0.00 34.13 32.09 1ix1 s GLU 8 CO 0.42 0.46 1.26 0.34 0.02 0.00 0.00 175.26 177.75 1ix1 n PHE 9 N 2.48 2.12 -0.58 1.61 7.35 0.77 -0.70 117.46 130.51 1ix1 n PHE 9 Ca -0.15 0.56 -0.17 0.00 -0.76 0.00 0.00 57.45 56.93 1ix1 n PHE 9 Cb 0.53 -2.40 0.11 0.00 0.35 0.00 0.00 39.48 38.07 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 0.74 1.88 -1.64 -7.13 -0.04 -1.26 -4.80 135.00 122.75 1ix1 n PRO 10 Ca 0.06 -2.04 -0.49 0.00 -0.04 0.00 0.00 63.50 61.00 1ix1 n PRO 10 Cb 0.35 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.53 3.20 0.30 3.54 4.64 0.12 -4.81 116.55 123.01 1ix1 n ASP 11 Ca 0.40 0.82 0.18 0.00 -1.38 0.00 0.00 54.79 54.82 1ix1 n ASP 11 Cb 1.19 -1.36 0.92 0.00 -1.04 0.00 0.00 41.12 40.82 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 10.15 0.00 0.00 -0.67 0.13 -2.00 -1.71 132.00 137.90 1ix1 h PRO 12 Ca -0.45 0.00 -0.01 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 -0.03 0.00 -0.23 0.00 0.00 178.00 178.70 1ix1 h ARG 13 N 0.00 0.00 0.00 0.86 3.08 -1.97 -1.48 114.38 114.87 1ix1 h ARG 13 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ix1 h ARG 13 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ix1 h ARG 13 CO -0.00 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1ix1 n LEU 14 N -3.20 0.00 -0.78 3.04 4.77 -0.64 -2.24 117.00 117.95 1ix1 n LEU 14 Ca -0.01 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1ix1 n LEU 14 Cb 0.23 -0.40 0.26 0.00 -2.33 0.00 0.00 43.42 41.18 1ix1 n LEU 14 CO 0.26 -0.17 0.72 0.54 -1.33 0.00 0.00 177.39 177.41 1ix1 n ARG 15 N -1.40 2.08 -2.25 3.23 5.12 -0.56 -4.35 116.66 118.53 1ix1 n ARG 15 Ca 0.06 -1.56 -0.41 0.00 -1.93 0.00 0.00 57.85 54.01 1ix1 n ARG 15 Cb 0.17 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 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 -1.99 3.26 -0.17 0.55 2.01 -0.95 -4.38 115.64 113.95 1ix1 s THR 16 Ca 0.32 1.06 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 1ix1 s THR 16 Cb 0.20 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1ix1 s THR 16 CO 0.31 0.17 0.81 -0.63 -0.69 0.00 0.00 174.62 174.60 1ix1 s ILE 17 N -0.08 4.89 0.41 1.82 1.01 -1.26 -3.70 121.20 124.29 1ix1 s ILE 17 Ca 0.55 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.54 1ix1 s ILE 17 Cb -0.36 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 1ix1 s ILE 17 CO 0.39 0.03 1.11 0.00 0.00 0.00 0.00 174.94 176.47 1ix1 s ALA 18 N 2.15 3.10 0.07 9.38 0.00 -0.18 -4.95 121.76 131.34 1ix1 s ALA 18 Ca 0.37 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 1ix1 s ALA 18 Cb -0.16 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1ix1 s ALA 18 CO 0.12 -0.40 0.48 0.15 0.00 0.00 0.00 175.76 176.11 1ix1 s LYS 19 N -2.43 3.97 0.70 0.00 1.02 -0.51 -4.66 119.74 117.83 1ix1 s LYS 19 Ca 0.58 0.47 -0.16 0.00 0.02 0.00 0.00 55.97 56.88 1ix1 s LYS 19 Cb -0.26 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1ix1 s LYS 19 CO 0.33 0.59 1.25 -2.30 -0.92 0.00 0.00 175.35 174.30 1ix1 n PRO 20 N 1.34 0.80 -3.11 -1.68 -0.02 -1.26 -1.28 135.00 129.78 1ix1 n PRO 20 Ca -0.10 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 1ix1 n PRO 20 Cb 0.52 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1ix1 n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ix1 s VAL 21 N -1.63 5.03 -0.12 -1.45 1.01 -1.26 -4.78 120.40 117.19 1ix1 s VAL 21 Ca 0.79 1.24 0.17 0.00 0.00 0.00 0.00 61.98 64.18 1ix1 s VAL 21 Cb -0.35 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 31.93 1ix1 s VAL 21 CO 0.44 0.15 0.81 -0.62 0.00 0.00 0.00 175.10 175.88 1ix1 n GLU 22 N 4.73 0.62 -3.70 2.72 1.02 -1.26 -4.88 120.64 119.89 1ix1 n GLU 22 Ca -0.01 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1ix1 n GLU 22 Cb 0.50 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 1ix1 n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ix1 s VAL 23 N -2.93 -0.17 -0.97 2.62 0.11 -1.26 -5.09 120.40 112.71 1ix1 s VAL 23 Ca -0.03 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.02 1ix1 s VAL 23 Cb 0.09 -0.47 0.15 0.00 -1.53 0.00 0.00 36.38 34.62 1ix1 s VAL 23 CO 0.81 0.07 1.14 -0.69 -3.33 0.00 0.00 175.10 173.10 1ix1 s VAL 24 N 1.66 4.93 0.25 2.04 1.01 -1.26 -4.89 120.40 124.15 1ix1 s VAL 24 Ca -0.06 -1.94 0.04 0.00 0.00 0.00 0.00 61.98 60.01 1ix1 s VAL 24 Cb -0.10 -4.76 0.04 0.00 0.00 0.00 0.00 36.38 31.56 1ix1 s VAL 24 CO -0.10 -1.46 0.35 -0.90 0.00 0.00 0.00 175.10 172.99 1ix1 n ASP 25 N 5.94 0.87 0.21 3.32 5.68 -1.26 -4.78 116.55 126.53 1ix1 n ASP 25 Ca 0.25 -1.64 0.04 0.00 -0.50 0.00 0.00 54.79 52.94 1ix1 n ASP 25 Cb 0.47 -0.19 0.44 0.00 -1.14 0.00 0.00 41.12 40.70 1ix1 n ASP 25 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ix1 h ASP 26 N 0.01 0.00 -0.61 -1.12 5.19 -1.98 -1.76 116.42 116.16 1ix1 h ASP 26 Ca -0.12 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.23 1ix1 h ASP 26 Cb 0.53 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1ix1 h ASP 26 CO 0.16 0.27 0.15 0.00 -3.12 0.00 0.00 179.24 176.71 1ix1 h ALA 27 N 1.73 0.80 -0.66 3.45 0.00 -1.97 0.12 119.26 122.73 1ix1 h ALA 27 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1ix1 h ALA 27 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ix1 h ALA 27 CO 0.04 0.50 0.09 0.28 0.00 0.00 0.00 179.25 180.15 1ix1 h VAL 28 N 0.88 1.26 0.00 0.00 2.07 -1.78 -2.18 116.25 116.51 1ix1 h VAL 28 Ca 0.19 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1ix1 h VAL 28 Cb 0.34 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ix1 h VAL 28 CO 0.00 0.40 -0.37 0.03 0.02 0.00 0.00 177.57 177.65 1ix1 h ARG 29 N 1.03 0.00 -0.44 1.57 3.08 -0.82 -0.98 114.38 117.82 1ix1 h ARG 29 Ca 0.20 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 1ix1 h ARG 29 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1ix1 h ARG 29 CO 0.02 0.37 -0.04 0.37 -1.07 0.00 0.00 179.97 179.62 1ix1 h GLN 30 N 0.00 0.80 -0.65 0.04 5.75 -0.26 0.42 115.11 121.21 1ix1 h GLN 30 Ca -0.00 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1ix1 h GLN 30 Cb 0.67 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 1ix1 h GLN 30 CO 0.05 0.88 0.34 1.25 -2.65 0.00 0.00 178.83 178.70 1ix1 h LEU 31 N 0.63 0.82 -0.67 -2.39 5.85 -1.04 -0.81 115.31 117.70 1ix1 h LEU 31 Ca 0.12 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1ix1 h LEU 31 Cb 0.55 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1ix1 h LEU 31 CO 0.03 0.70 0.41 0.40 -0.34 0.00 0.00 178.44 179.64 1ix1 h ILE 32 N 0.89 1.07 -0.76 4.05 2.04 -0.73 0.13 117.51 124.20 1ix1 h ILE 32 Ca 0.23 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1ix1 h ILE 32 Cb 0.07 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1ix1 h ILE 32 CO -0.03 0.15 0.26 0.44 0.00 0.00 0.00 178.15 178.96 1ix1 h ASP 33 N 0.80 1.09 -0.48 1.72 3.32 -0.35 -0.28 116.42 122.25 1ix1 h ASP 33 Ca 0.27 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1ix1 h ASP 33 Cb 0.04 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1ix1 h ASP 33 CO -0.11 1.00 -0.09 0.44 -1.72 0.00 0.00 179.24 178.76 1ix1 h ASP 34 N 1.13 0.94 -0.50 6.45 3.32 -0.51 -1.06 116.42 126.20 1ix1 h ASP 34 Ca 0.25 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1ix1 h ASP 34 Cb 0.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1ix1 h ASP 34 CO -0.01 1.05 0.21 0.24 -1.72 0.00 0.00 179.24 179.00 1ix1 h MET 35 N 0.85 0.74 -0.41 3.56 2.86 -0.36 0.21 114.93 122.39 1ix1 h MET 35 Ca 0.14 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ix1 h MET 35 Cb 0.62 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ix1 h MET 35 CO 0.04 0.65 0.22 0.74 1.06 0.00 0.00 176.91 179.62 1ix1 h PHE 36 N 0.66 0.56 -0.62 -0.22 0.04 -0.83 0.20 116.94 116.74 1ix1 h PHE 36 Ca 0.17 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1ix1 h PHE 36 Cb 0.18 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1ix1 h PHE 36 CO 0.00 0.43 0.38 1.49 -0.60 0.00 0.00 178.31 180.02 1ix1 h GLU 37 N 0.52 0.83 -0.31 1.51 4.81 -0.93 0.11 114.58 121.13 1ix1 h GLU 37 Ca 0.14 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ix1 h GLU 37 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1ix1 h GLU 37 CO -0.02 0.58 0.11 1.15 -0.73 0.00 0.00 179.01 180.10 1ix1 h THR 38 N 0.83 1.19 -0.19 0.32 2.02 -0.65 -2.06 112.91 114.37 1ix1 h THR 38 Ca 0.22 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1ix1 h THR 38 Cb -0.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1ix1 h THR 38 CO -0.04 0.20 0.10 -0.03 0.37 0.00 0.00 175.52 176.12 1ix1 h MET 39 N 0.35 0.26 -0.19 6.66 1.85 -0.20 -2.15 114.93 121.50 1ix1 h MET 39 Ca 0.10 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.11 1ix1 h MET 39 Cb 0.20 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1ix1 h MET 39 CO -0.01 0.25 -0.12 1.88 -0.40 0.00 0.00 176.91 178.52 1ix1 h TYR 40 N 0.20 0.32 0.00 1.39 0.05 -0.73 -0.02 116.97 118.18 1ix1 h TYR 40 Ca 0.07 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 1ix1 h TYR 40 Cb 0.06 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1ix1 h TYR 40 CO -0.04 0.42 -0.60 1.49 -1.05 0.00 0.00 178.16 178.39 1ix1 h GLU 41 N 0.29 0.00 -0.03 4.88 4.22 -1.20 -3.39 114.58 119.36 1ix1 h GLU 41 Ca 0.06 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.52 1ix1 h GLU 41 Cb 0.39 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1ix1 h GLU 41 CO 0.02 0.60 -0.37 0.00 -2.18 0.00 0.00 179.01 177.08 1ix1 h ALA 42 N 1.40 -0.79 -2.24 2.92 0.00 -1.26 -3.48 119.26 115.82 1ix1 h ALA 42 Ca -0.01 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 1ix1 h ALA 42 Cb 1.44 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 1ix1 h ALA 42 CO 0.08 -0.91 -0.47 -1.25 0.00 0.00 0.00 179.25 176.70 1ix1 s PRO 43 N -4.86 3.26 0.20 0.00 0.04 -1.26 -5.15 135.00 127.23 1ix1 s PRO 43 Ca -0.11 -0.84 -0.06 0.00 0.04 0.00 0.00 61.00 60.03 1ix1 s PRO 43 Cb 0.05 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1ix1 s PRO 43 CO 0.41 0.43 0.25 0.20 0.04 0.00 0.00 177.00 178.33 1ix1 s GLY 44 N -3.85 0.92 0.00 0.56 0.00 -0.03 -5.02 107.32 99.89 1ix1 s GLY 44 Ca 0.34 -1.26 0.20 0.00 0.00 0.00 0.00 44.72 43.99 1ix1 s GLY 44 CO 0.28 -1.06 1.04 0.29 0.00 0.00 0.00 173.10 173.65 1ix1 n ILE 45 N -0.26 0.00 -3.56 0.90 -5.35 -1.26 -4.55 119.36 105.27 1ix1 n ILE 45 Ca -0.02 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 1ix1 n ILE 45 Cb 0.64 1.31 -0.03 0.00 -1.74 0.00 0.00 39.64 39.81 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 -1.97 -0.39 -0.28 3.28 0.00 -1.26 -1.35 107.32 105.35 1ix1 s GLY 46 Ca 0.19 0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.86 1ix1 s GLY 46 CO 0.39 -0.07 0.76 -2.27 0.00 0.00 0.00 173.10 171.90 1ix1 s LEU 47 N -2.80 -0.78 0.01 0.66 2.96 -0.69 -4.97 118.68 113.07 1ix1 s LEU 47 Ca 0.03 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1ix1 s LEU 47 Cb -0.00 2.33 -0.04 0.00 0.50 0.00 0.00 46.19 48.98 1ix1 s LEU 47 CO -0.10 -0.23 0.01 0.00 -1.32 0.00 0.00 176.35 174.71 1ix1 s ALA 48 N 0.91 3.31 0.43 5.97 0.00 -1.26 -1.50 121.76 129.62 1ix1 s ALA 48 Ca -0.04 -0.96 0.16 0.00 0.00 0.00 0.00 51.96 51.11 1ix1 s ALA 48 Cb -0.05 -1.34 1.06 0.00 0.00 0.00 0.00 23.12 22.78 1ix1 s ALA 48 CO -0.09 0.66 1.93 0.00 0.00 0.00 0.00 175.76 178.27 1ix1 h ALA 49 N 4.20 2.11 -0.91 0.00 0.00 -1.47 0.26 119.26 123.45 1ix1 h ALA 49 Ca -0.49 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.58 1ix1 h ALA 49 Cb 1.17 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1ix1 h ALA 49 CO 0.58 -0.29 0.58 1.15 0.00 0.00 0.00 179.25 181.27 1ix1 h THR 50 N 0.40 0.80 0.00 0.00 2.02 -1.72 -0.65 112.91 113.77 1ix1 h THR 50 Ca 0.35 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1ix1 h THR 50 Cb 0.79 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1ix1 h THR 50 CO -0.11 0.12 -0.06 1.56 0.37 0.00 0.00 175.52 177.41 1ix1 h GLN 51 N 0.66 0.00 -0.42 6.66 4.20 -1.23 -2.18 115.11 122.80 1ix1 h GLN 51 Ca 0.47 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 1ix1 h GLN 51 Cb 0.80 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1ix1 h GLN 51 CO -0.22 0.06 0.05 1.33 -0.67 0.00 0.00 178.83 179.38 1ix1 n VAL 52 N -3.33 2.54 -1.91 -0.54 0.24 -0.32 -0.48 118.33 114.54 1ix1 n VAL 52 Ca -0.01 -1.95 -0.13 0.00 -2.04 0.00 0.00 64.34 60.20 1ix1 n VAL 52 Cb 0.22 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.47 -4.26 -4.10 -1.34 4.05 -0.82 -4.84 115.26 103.48 1ix1 n ASN 53 Ca 0.29 0.12 -0.33 0.00 0.45 0.00 0.00 54.58 55.11 1ix1 n ASN 53 Cb 1.07 -3.24 -0.15 0.00 1.23 0.00 0.00 39.78 38.69 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 -2.59 2.44 -1.30 3.44 1.01 -0.79 -5.01 120.40 117.59 1ix1 s VAL 54 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 1ix1 s VAL 54 Cb 0.00 -2.44 0.15 0.00 0.00 0.00 0.00 36.38 34.09 1ix1 s VAL 54 CO 0.00 -0.09 2.01 1.41 0.00 0.00 0.00 175.10 178.43 1ix1 n HIS 55 N 4.48 2.87 -4.20 5.22 8.25 -1.26 -2.56 115.22 128.03 1ix1 n HIS 55 Ca -0.13 -2.81 -0.20 0.00 -0.26 0.00 0.00 57.72 54.33 1ix1 n HIS 55 Cb 0.42 -1.96 -0.12 0.00 1.12 0.00 0.00 29.99 29.45 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 0.27 0.89 -1.27 -0.41 1.02 -1.26 -1.42 119.74 117.56 1ix1 s LYS 56 Ca 0.43 -1.01 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 1ix1 s LYS 56 Cb 0.12 -0.95 0.08 0.00 -0.52 0.00 0.00 37.83 36.55 1ix1 s LYS 56 CO -0.02 0.21 1.69 1.03 -0.92 0.00 0.00 175.35 177.34 1ix1 s ARG 57 N -1.80 3.96 -0.03 1.68 0.52 -0.40 -4.45 118.95 118.43 1ix1 s ARG 57 Ca 0.00 -1.97 0.01 0.00 -0.52 0.00 0.00 55.73 53.26 1ix1 s ARG 57 Cb -0.10 -5.49 0.01 0.00 0.52 0.00 0.00 34.95 29.90 1ix1 s ARG 57 CO 0.03 -2.22 -0.05 0.42 0.02 0.00 0.00 175.30 173.50 1ix1 s ILE 58 N 4.09 0.51 -0.01 1.52 1.01 -1.26 -0.29 121.20 126.78 1ix1 s ILE 58 Ca 0.52 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1ix1 s ILE 58 Cb 0.03 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 1ix1 s ILE 58 CO 0.06 0.19 -0.08 -0.69 0.00 0.00 0.00 174.94 174.42 1ix1 s VAL 59 N 0.54 0.63 0.24 2.92 1.01 -0.10 -1.45 120.40 124.19 1ix1 s VAL 59 Ca -0.07 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1ix1 s VAL 59 Cb -0.10 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1ix1 s VAL 59 CO 0.00 0.18 -0.20 0.68 0.00 0.00 0.00 175.10 175.76 1ix1 s VAL 60 N -0.15 2.30 -0.04 2.92 -7.23 -0.56 -1.12 120.40 116.52 1ix1 s VAL 60 Ca 0.03 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.66 1ix1 s VAL 60 Cb -0.03 -2.18 0.09 0.00 0.56 0.00 0.00 36.38 34.81 1ix1 s VAL 60 CO -0.00 -0.34 0.77 -0.32 -0.31 0.00 0.00 175.10 174.89 1ix1 s MET 61 N -3.24 0.95 -0.29 4.82 1.75 -0.41 -1.70 119.30 121.17 1ix1 s MET 61 Ca 0.25 0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 1ix1 s MET 61 Cb -0.05 0.45 0.18 0.00 2.84 0.00 0.00 34.83 38.25 1ix1 s MET 61 CO 0.12 -0.33 0.55 0.34 -0.65 0.00 0.00 175.02 175.05 1ix1 s ASP 62 N -1.52 -1.08 0.00 1.11 -1.08 -0.46 0.05 116.67 113.70 1ix1 s ASP 62 Ca -0.05 0.40 0.26 0.00 -0.52 0.00 0.00 52.55 52.64 1ix1 s ASP 62 Cb -0.00 1.87 1.03 0.00 -1.46 0.00 0.00 42.92 44.36 1ix1 s ASP 62 CO 0.03 -0.29 1.72 0.18 0.52 0.00 0.00 175.17 177.33 1ix1 n LEU 63 N 5.41 1.38 -4.87 -1.34 4.77 -1.26 -4.62 117.00 116.47 1ix1 n LEU 63 Ca 0.01 -0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 55.18 1ix1 n LEU 63 Cb 0.52 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1ix1 n LEU 63 CO -0.01 0.25 0.73 -0.94 -1.33 0.00 0.00 177.39 176.10 1ix1 s SER 64 N -1.85 5.95 0.05 -1.43 1.04 -1.26 -5.00 113.70 111.20 1ix1 s SER 64 Ca 0.37 1.34 0.01 0.00 0.48 0.00 0.00 55.95 58.15 1ix1 s SER 64 Cb 0.20 -2.30 -0.25 0.00 0.10 0.00 0.00 66.02 63.76 1ix1 s SER 64 CO 0.31 -1.04 1.03 -0.33 0.98 0.00 0.00 173.24 174.19 1ix1 h GLU 65 N -0.44 0.15 -0.62 4.02 5.08 -2.02 -3.28 114.58 117.47 1ix1 h GLU 65 Ca -0.44 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1ix1 h GLU 65 Cb 1.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ix1 h GLU 65 CO 0.62 1.03 0.00 -0.40 -1.00 0.00 0.00 179.01 179.27 1ix1 n ASP 66 N -3.39 3.54 -3.88 1.42 5.75 -1.26 -4.93 116.55 113.79 1ix1 n ASP 66 Ca -0.10 -2.34 -0.30 0.00 -0.01 0.00 0.00 54.79 52.04 1ix1 n ASP 66 Cb 1.01 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.68 -2.17 -0.21 0.11 5.02 -1.24 -4.90 118.16 115.46 1ix1 n LYS 67 Ca 0.18 0.38 0.05 0.00 -2.02 0.00 0.00 58.31 56.90 1ix1 n LYS 67 Cb 0.68 -4.14 0.07 0.00 -0.02 0.00 0.00 35.03 31.62 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 -2.79 1.35 -3.19 4.39 3.41 -1.26 -4.89 113.62 110.64 1ix1 n SER 68 Ca -0.22 -2.47 -0.23 0.00 -0.26 0.00 0.00 58.87 55.69 1ix1 n SER 68 Cb 0.64 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.76 1.42 -2.15 4.33 1.02 -1.26 -5.07 120.64 118.17 1ix1 n GLU 69 Ca 0.08 -3.72 -0.41 0.00 -0.02 0.00 0.00 57.16 53.10 1ix1 n GLU 69 Cb 0.62 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.11 4.38 -0.00 3.49 0.04 -1.26 -4.29 135.00 135.25 1ix1 s PRO 70 Ca 0.39 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.63 1ix1 s PRO 70 Cb 0.24 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1ix1 s PRO 70 CO -0.09 -0.17 -0.11 1.03 0.04 0.00 0.00 177.00 177.70 1ix1 s ARG 71 N -1.52 0.87 -0.07 4.56 0.52 0.11 -4.99 118.95 118.44 1ix1 s ARG 71 Ca 0.50 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1ix1 s ARG 71 Cb -0.39 -0.84 -0.01 0.00 0.52 0.00 0.00 34.95 34.24 1ix1 s ARG 71 CO 0.50 0.23 -0.23 0.08 0.02 0.00 0.00 175.30 175.90 1ix1 s VAL 72 N -0.37 1.89 -0.19 3.52 1.01 -1.26 -1.29 120.40 123.71 1ix1 s VAL 72 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ix1 s VAL 72 Cb -0.05 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1ix1 s VAL 72 CO -0.00 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.26 1ix1 s PHE 73 N 0.05 1.46 -0.11 5.22 0.40 -0.27 -4.51 117.98 120.22 1ix1 s PHE 73 Ca -0.08 -1.06 -0.03 0.00 -0.60 0.00 0.00 56.93 55.16 1ix1 s PHE 73 Cb -0.15 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1ix1 s PHE 73 CO 0.05 -0.63 0.00 0.42 0.70 0.00 0.00 175.22 175.76 1ix1 s ILE 74 N 1.71 4.31 -1.38 0.64 1.01 -0.38 -0.92 121.20 126.19 1ix1 s ILE 74 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1ix1 s ILE 74 Cb -0.17 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1ix1 s ILE 74 CO -0.07 0.58 0.54 0.59 0.00 0.00 0.00 174.94 176.58 1ix1 n ASN 75 N 2.48 -0.80 -4.78 3.58 3.02 0.60 -0.82 115.26 118.54 1ix1 n ASN 75 Ca -0.18 -0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 53.09 1ix1 n ASN 75 Cb 0.53 -3.45 -0.02 0.00 -0.61 0.00 0.00 39.78 36.24 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 -6.35 3.66 0.05 3.52 0.04 -1.26 -4.51 135.00 130.16 1ix1 s PRO 76 Ca 0.04 1.51 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1ix1 s PRO 76 Cb -0.02 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1ix1 s PRO 76 CO 0.86 -0.57 0.30 -1.83 0.04 0.00 0.00 177.00 175.80 1ix1 s GLU 77 N -3.13 0.84 0.05 4.56 -1.05 -0.17 -5.00 118.70 114.79 1ix1 s GLU 77 Ca 0.68 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.89 1ix1 s GLU 77 Cb -0.21 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1ix1 s GLU 77 CO 0.25 -0.27 0.09 -0.59 0.95 0.00 0.00 175.26 175.68 1ix1 s PHE 78 N -2.77 0.25 -0.03 4.83 -0.12 -1.26 -1.03 117.98 117.85 1ix1 s PHE 78 Ca -0.03 -0.62 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1ix1 s PHE 78 Cb -0.00 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1ix1 s PHE 78 CO -0.05 -0.39 0.01 -2.00 -0.05 0.00 0.00 175.22 172.73 1ix1 s GLU 79 N -3.03 0.29 0.43 1.99 2.12 -0.91 -4.95 118.70 114.65 1ix1 s GLU 79 Ca -0.01 0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.16 1ix1 s GLU 79 Cb 0.01 -0.51 -0.09 0.00 0.26 0.00 0.00 34.13 33.80 1ix1 s GLU 79 CO -0.07 -0.16 1.40 -2.30 -0.54 0.00 0.00 175.26 173.60 1ix1 n PRO 80 N 4.29 2.25 -0.06 4.30 -0.02 -1.26 -1.06 135.00 143.44 1ix1 n PRO 80 Ca -0.24 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1ix1 n PRO 80 Cb 0.50 -2.58 0.09 0.00 -0.02 0.00 0.00 33.50 31.50 1ix1 n PRO 80 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ix1 n LEU 81 N 0.04 2.41 -3.54 2.45 4.77 0.24 -4.83 117.00 118.54 1ix1 n LEU 81 Ca 0.05 -1.30 -0.11 0.00 -0.03 0.00 0.00 56.01 54.62 1ix1 n LEU 81 Cb 0.40 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1ix1 n LEU 81 CO 0.60 0.50 0.33 0.28 -1.33 0.00 0.00 177.39 177.78 1ix1 s THR 82 N -1.08 0.02 -1.66 -5.08 -1.32 -1.25 -5.01 115.64 100.26 1ix1 s THR 82 Ca 0.19 -0.31 0.24 0.00 -1.21 0.00 0.00 61.69 60.61 1ix1 s THR 82 Cb 0.12 -1.18 0.09 0.00 -1.51 0.00 0.00 72.50 70.02 1ix1 s THR 82 CO 0.17 -0.09 1.33 -0.62 -2.21 0.00 0.00 174.62 173.20 1ix1 n GLU 83 N -0.34 0.75 -2.22 7.08 1.02 -1.26 -4.77 120.64 120.89 1ix1 n GLU 83 Ca -0.15 -0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 56.08 1ix1 n GLU 83 Cb 0.64 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 1ix1 n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ix1 s ASP 84 N -2.62 6.42 0.03 1.62 1.11 -1.26 -4.95 116.67 117.03 1ix1 s ASP 84 Ca 0.19 2.43 0.09 0.00 0.18 0.00 0.00 52.55 55.43 1ix1 s ASP 84 Cb 0.18 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1ix1 s ASP 84 CO 0.60 -0.75 -0.26 -0.04 1.18 0.00 0.00 175.17 175.90 1ix1 s MET 85 N -2.32 1.83 0.18 8.23 -1.94 -1.26 -1.47 119.30 122.55 1ix1 s MET 85 Ca 0.58 -1.06 0.09 0.00 -1.71 0.00 0.00 55.69 53.59 1ix1 s MET 85 Cb -0.32 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 1ix1 s MET 85 CO 0.41 0.51 -0.14 -0.51 -0.01 0.00 0.00 175.02 175.28 1ix1 s ASP 86 N -1.11 4.02 -0.12 3.03 1.01 -0.10 -4.82 116.67 118.59 1ix1 s ASP 86 Ca 0.11 -0.64 -0.02 0.00 0.71 0.00 0.00 52.55 52.71 1ix1 s ASP 86 Cb -0.10 -0.59 -0.03 0.00 1.01 0.00 0.00 42.92 43.21 1ix1 s ASP 86 CO 0.01 0.12 -0.06 -1.58 0.21 0.00 0.00 175.17 173.87 1ix1 s GLN 87 N -2.71 3.30 -0.03 8.23 0.74 -1.26 -1.71 119.66 126.22 1ix1 s GLN 87 Ca 0.23 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 1ix1 s GLN 87 Cb -0.09 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.28 1ix1 s GLN 87 CO 0.13 0.39 0.07 -0.47 -0.55 0.00 0.00 175.29 174.87 1ix1 s TYR 88 N -0.06 -0.08 -0.50 1.67 5.04 -0.93 -4.96 117.35 117.54 1ix1 s TYR 88 Ca 0.01 0.21 -0.26 0.00 -2.44 0.00 0.00 57.07 54.59 1ix1 s TYR 88 Cb -0.13 0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.22 1ix1 s TYR 88 CO 0.03 -0.05 0.97 -1.14 -1.34 0.00 0.00 175.55 174.02 1ix1 s GLN 89 N 0.15 3.49 0.08 4.97 0.74 -1.26 -1.41 119.66 126.42 1ix1 s GLN 89 Ca -0.01 0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.46 1ix1 s GLN 89 Cb -0.02 -3.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.08 1ix1 s GLN 89 CO -0.00 -1.34 0.29 -1.21 -0.55 0.00 0.00 175.29 172.47 1ix1 s GLU 90 N 3.97 3.53 0.31 1.67 2.02 0.00 -4.80 118.70 125.41 1ix1 s GLU 90 Ca 0.37 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 55.18 1ix1 s GLU 90 Cb -0.10 -2.97 -0.06 0.00 0.10 0.00 0.00 34.13 31.10 1ix1 s GLU 90 CO 0.25 0.56 -0.03 0.20 0.02 0.00 0.00 175.26 176.26 1ix1 s GLY 91 N -2.34 1.99 -0.12 -1.39 0.00 -1.26 -1.95 107.32 102.26 1ix1 s GLY 91 Ca 0.36 -2.00 -0.10 0.00 0.00 0.00 0.00 44.72 42.98 1ix1 s GLY 91 CO 0.25 -1.89 0.30 0.00 0.00 0.00 0.00 173.10 171.76 1ix1 h LEU 93 N 5.99 0.00 -0.46 0.00 3.38 -1.96 -1.63 115.31 120.63 1ix1 h LEU 93 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 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 0.32 0.06 -0.22 -1.20 0.09 0.00 0.00 178.44 177.50 1ix1 n SER 94 N -3.32 0.93 -3.07 -0.43 7.64 -1.26 -3.91 113.62 110.19 1ix1 n SER 94 Ca -0.01 -0.85 -0.19 0.00 1.01 0.00 0.00 58.87 58.83 1ix1 n SER 94 Cb 0.24 0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.68 0.65 -1.65 0.44 0.31 -0.63 -0.16 118.33 116.60 1ix1 n VAL 95 Ca 0.13 -4.66 -0.47 0.00 -0.01 0.00 0.00 64.34 59.33 1ix1 n VAL 95 Cb 0.33 -0.43 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.12 1.90 -0.23 5.55 -0.04 -1.10 -2.95 135.00 138.26 1ix1 n PRO 96 Ca 0.25 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1ix1 n PRO 96 Cb 0.62 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.95 1.06 3.42 0.55 0.00 -1.26 -5.05 105.19 106.85 1ix1 n GLY 97 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.69 2.68 -0.06 1.61 0.40 -1.15 -5.11 117.98 113.66 1ix1 s PHE 98 Ca 0.00 -0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1ix1 s PHE 98 Cb 0.00 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1ix1 s PHE 98 CO 0.00 0.04 -0.01 0.71 0.70 0.00 0.00 175.22 176.66 1ix1 s TYR 99 N -0.42 0.67 0.04 0.36 1.51 -1.26 -4.27 117.35 113.98 1ix1 s TYR 99 Ca 0.05 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1ix1 s TYR 99 Cb -0.12 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1ix1 s TYR 99 CO 0.02 -0.29 -0.04 -1.21 -1.11 0.00 0.00 175.55 172.92 1ix1 s GLU 100 N 1.70 0.50 0.20 -0.62 0.41 -0.82 -4.89 118.70 115.18 1ix1 s GLU 100 Ca 0.01 -0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 53.35 1ix1 s GLU 100 Cb -0.13 0.06 -0.08 0.00 -1.78 0.00 0.00 34.13 32.20 1ix1 s GLU 100 CO -0.04 -0.05 1.15 -0.80 -0.49 0.00 0.00 175.26 175.02 1ix1 s ASN 101 N -2.15 7.17 -0.03 -0.19 0.01 -1.26 -0.82 114.94 117.67 1ix1 s ASN 101 Ca -0.04 2.19 0.02 0.00 -0.71 0.00 0.00 52.86 54.32 1ix1 s ASN 101 Cb -0.02 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1ix1 s ASN 101 CO -0.04 -0.29 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.51 1ix1 s VAL 102 N -0.30 0.61 -0.16 1.60 1.01 -0.50 -4.93 120.40 117.74 1ix1 s VAL 102 Ca 0.50 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1ix1 s VAL 102 Cb -0.31 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1ix1 s VAL 102 CO 0.37 0.21 0.26 -1.81 0.00 0.00 0.00 175.10 174.13 1ix1 s ASP 103 N 0.43 6.41 0.12 3.32 1.01 -1.26 -2.18 116.67 124.52 1ix1 s ASP 103 Ca -0.06 0.47 -0.08 0.00 0.71 0.00 0.00 52.55 53.60 1ix1 s ASP 103 Cb -0.10 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1ix1 s ASP 103 CO 0.00 0.15 0.20 -0.13 0.21 0.00 0.00 175.17 175.60 1ix1 s ARG 104 N 0.27 0.95 0.22 8.23 0.52 -0.70 -4.96 118.95 123.48 1ix1 s ARG 104 Ca 0.15 -1.08 -0.32 0.00 -0.52 0.00 0.00 55.73 53.96 1ix1 s ARG 104 Cb -0.13 0.34 -0.14 0.00 0.52 0.00 0.00 34.95 35.55 1ix1 s ARG 104 CO 0.03 -0.32 1.36 -2.30 0.02 0.00 0.00 175.30 174.09 1ix1 n PRO 105 N -0.11 1.81 0.05 3.54 -0.02 -1.26 -0.92 135.00 138.09 1ix1 n PRO 105 Ca -0.12 0.64 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1ix1 n PRO 105 Cb 0.63 -2.27 0.25 0.00 -0.02 0.00 0.00 33.50 32.09 1ix1 n PRO 105 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ix1 h GLN 106 N 4.11 0.38 -3.59 -0.52 4.15 -1.56 -3.44 115.11 114.65 1ix1 h GLN 106 Ca -0.45 -0.13 -0.24 0.00 0.77 0.00 0.00 58.65 58.60 1ix1 h GLN 106 Cb 1.29 -0.03 -0.30 0.00 0.21 0.00 0.00 27.48 28.66 1ix1 h GLN 106 CO 0.75 0.60 -0.69 0.21 -1.93 0.00 0.00 178.83 177.77 1ix1 s LYS 107 N -4.52 0.02 0.07 1.69 2.20 -1.26 -4.15 119.74 113.79 1ix1 s LYS 107 Ca -0.06 0.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1ix1 s LYS 107 Cb 0.14 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1ix1 s LYS 107 CO 0.77 -0.06 -0.01 0.14 -0.36 0.00 0.00 175.35 175.83 1ix1 s VAL 108 N 0.39 0.20 -0.25 4.02 -7.23 -0.69 -0.59 120.40 116.24 1ix1 s VAL 108 Ca -0.03 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1ix1 s VAL 108 Cb -0.04 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1ix1 s VAL 108 CO -0.01 -0.89 0.05 -0.60 -0.31 0.00 0.00 175.10 173.34 1ix1 s ARG 109 N -3.94 3.56 0.07 4.82 3.52 -0.22 -0.08 118.95 126.67 1ix1 s ARG 109 Ca 0.10 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 55.00 1ix1 s ARG 109 Cb 0.08 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1ix1 s ARG 109 CO -0.08 -0.21 0.51 0.42 -0.81 0.00 0.00 175.30 175.13 1ix1 s ILE 110 N 1.58 4.86 -0.04 4.11 1.01 0.13 -2.13 121.20 130.73 1ix1 s ILE 110 Ca 0.06 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1ix1 s ILE 110 Cb -0.15 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1ix1 s ILE 110 CO 0.02 0.48 -0.07 -0.54 0.00 0.00 0.00 174.94 174.83 1ix1 s LYS 111 N -1.33 0.96 0.11 2.79 1.02 -0.20 -0.36 119.74 122.73 1ix1 s LYS 111 Ca 0.30 -0.23 -0.20 0.00 0.02 0.00 0.00 55.97 55.86 1ix1 s LYS 111 Cb -0.17 -0.90 0.07 0.00 -0.52 0.00 0.00 37.83 36.31 1ix1 s LYS 111 CO 0.17 0.03 0.93 0.00 -0.92 0.00 0.00 175.35 175.56 1ix1 n ALA 112 N 3.62 -2.48 -2.75 5.17 0.00 -0.82 -1.00 120.51 122.24 1ix1 n ALA 112 Ca -0.21 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.07 1ix1 n ALA 112 Cb 0.53 0.39 -0.08 0.00 0.00 0.00 0.00 19.45 20.29 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 3.80 0.00 0.00 1.43 -0.00 -0.87 118.68 123.04 1ix1 s LEU 113 Ca 0.21 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1ix1 s LEU 113 Cb -0.02 -2.08 0.14 0.00 0.03 0.00 0.00 46.19 44.25 1ix1 s LEU 113 CO 0.03 0.32 0.82 -0.90 0.23 0.00 0.00 176.35 176.85 1ix1 n ASP 114 N 1.57 0.28 0.05 2.29 5.68 0.48 -1.25 116.55 125.64 1ix1 n ASP 114 Ca -0.16 -1.43 0.03 0.00 -0.50 0.00 0.00 54.79 52.74 1ix1 n ASP 114 Cb 0.53 -0.61 0.18 0.00 -1.14 0.00 0.00 41.12 40.08 1ix1 n ASP 114 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1ix1 n ARG 115 N -2.70 0.04 0.00 0.11 1.85 -1.26 -0.62 116.66 114.08 1ix1 n ARG 115 Ca 0.11 0.54 0.09 0.00 -1.00 0.00 0.00 57.85 57.59 1ix1 n ARG 115 Cb 0.38 -1.64 0.04 0.00 -1.05 0.00 0.00 32.46 30.20 1ix1 n ARG 115 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ix1 n ASP 116 N -1.73 2.14 0.00 2.89 8.00 -1.26 -4.96 116.55 121.64 1ix1 n ASP 116 Ca -0.00 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.92 1ix1 n ASP 116 Cb 0.01 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.12 0.76 3.77 0.44 0.00 0.21 -4.89 105.19 106.59 1ix1 n GLY 117 Ca 0.09 0.00 -0.38 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 -2.38 6.85 0.41 1.61 0.02 -1.26 -4.70 114.94 115.49 1ix1 s ASN 118 Ca 0.00 1.01 -0.24 0.00 -1.02 0.00 0.00 52.86 52.61 1ix1 s ASN 118 Cb 0.00 -2.32 -0.08 0.00 0.02 0.00 0.00 41.25 38.87 1ix1 s ASN 118 CO 0.00 0.12 1.13 -2.16 0.02 0.00 0.00 177.10 176.21 1ix1 s PRO 119 N -0.15 4.03 0.22 -0.60 0.04 -1.26 -0.39 135.00 136.89 1ix1 s PRO 119 Ca 0.28 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1ix1 s PRO 119 Cb -0.17 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1ix1 s PRO 119 CO 0.14 -0.31 0.53 -0.59 0.04 0.00 0.00 177.00 176.82 1ix1 s PHE 120 N -1.52 0.01 0.12 0.56 -0.12 -0.05 -4.91 117.98 112.07 1ix1 s PHE 120 Ca 0.59 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 57.13 1ix1 s PHE 120 Cb -0.27 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1ix1 s PHE 120 CO 0.34 -0.98 -0.10 -1.83 -0.05 0.00 0.00 175.22 172.60 1ix1 s GLU 121 N -3.92 0.96 -0.25 1.99 -1.05 -1.26 -1.95 118.70 113.22 1ix1 s GLU 121 Ca 0.13 -1.33 -0.13 0.00 -0.15 0.00 0.00 54.97 53.49 1ix1 s GLU 121 Cb -0.02 -0.55 0.08 0.00 -0.44 0.00 0.00 34.13 33.20 1ix1 s GLU 121 CO 0.02 0.07 0.60 -2.00 0.95 0.00 0.00 175.26 174.90 1ix1 s GLU 122 N -3.39 0.60 0.11 -4.83 2.12 0.52 -4.96 118.70 108.87 1ix1 s GLU 122 Ca 0.12 1.15 -0.30 0.00 0.36 0.00 0.00 54.97 56.30 1ix1 s GLU 122 Cb 0.01 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.55 1ix1 s GLU 122 CO -0.00 -0.16 1.03 0.08 -0.54 0.00 0.00 175.26 175.67 1ix1 s VAL 123 N 1.81 4.31 -0.03 3.70 1.01 -1.26 0.19 120.40 130.12 1ix1 s VAL 123 Ca -0.09 1.86 0.05 0.00 0.00 0.00 0.00 61.98 63.81 1ix1 s VAL 123 Cb -0.07 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1ix1 s VAL 123 CO -0.18 0.26 -0.19 0.00 0.00 0.00 0.00 175.10 175.00 1ix1 s ALA 124 N 0.18 1.62 0.25 5.51 0.00 0.88 -4.93 121.76 125.28 1ix1 s ALA 124 Ca 0.50 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1ix1 s ALA 124 Cb -0.26 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1ix1 s ALA 124 CO 0.31 0.34 0.11 -1.21 0.00 0.00 0.00 175.76 175.32 1ix1 s GLU 125 N -0.20 1.40 4.23 0.00 2.02 -1.26 -1.70 118.70 123.19 1ix1 s GLU 125 Ca 0.01 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1ix1 s GLU 125 Cb -0.10 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.01 1ix1 s GLU 125 CO 0.01 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1ix1 n GLY 126 N -0.44 2.30 0.37 -1.39 0.00 -1.26 -2.75 105.19 102.01 1ix1 n GLY 126 Ca 0.01 -0.39 0.04 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 0.96 -0.85 0.99 5.85 -1.99 -1.84 115.31 118.43 1ix1 h LEU 127 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ix1 h LEU 127 Cb 0.00 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1ix1 h LEU 127 CO 0.00 0.59 0.47 0.25 -0.34 0.00 0.00 178.44 179.41 1ix1 h LEU 128 N 1.07 1.06 -0.48 2.25 5.85 -1.93 0.16 115.31 123.29 1ix1 h LEU 128 Ca 0.43 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 1ix1 h LEU 128 Cb 0.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1ix1 h LEU 128 CO -0.18 0.85 -0.05 0.00 -0.34 0.00 0.00 178.44 178.71 1ix1 h ALA 129 N 1.25 0.65 -0.15 1.25 0.00 -1.17 -1.60 119.26 119.50 1ix1 h ALA 129 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ix1 h ALA 129 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ix1 h ALA 129 CO -0.05 0.50 0.04 0.28 0.00 0.00 0.00 179.25 180.03 1ix1 h VAL 130 N 0.73 1.19 -0.31 0.00 2.07 -1.00 -2.87 116.25 116.06 1ix1 h VAL 130 Ca 0.13 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ix1 h VAL 130 Cb 0.58 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ix1 h VAL 130 CO 0.03 0.18 0.14 0.00 0.02 0.00 0.00 177.57 177.95 1ix1 h ILE 132 N 0.36 1.21 -0.34 0.00 6.09 -1.31 0.15 117.51 123.67 1ix1 h ILE 132 Ca 0.10 -0.41 -0.18 0.00 -1.37 0.00 0.00 64.86 63.01 1ix1 h ILE 132 Cb 0.13 0.05 -0.00 0.00 0.47 0.00 0.00 36.82 37.46 1ix1 h ILE 132 CO -0.01 0.21 -0.47 1.56 -3.07 0.00 0.00 178.15 176.36 1ix1 h GLN 133 N 1.09 0.91 -0.45 2.19 4.20 -1.31 -0.65 115.11 121.09 1ix1 h GLN 133 Ca 0.29 -0.53 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1ix1 h GLN 133 Cb -0.10 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1ix1 h GLN 133 CO -0.06 1.18 0.22 1.25 -0.67 0.00 0.00 178.83 180.75 1ix1 h HIS 134 N 0.72 0.64 -0.28 2.96 2.76 -0.58 -1.51 115.15 119.86 1ix1 h HIS 134 Ca 0.04 -0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1ix1 h HIS 134 Cb 1.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 1ix1 h HIS 134 CO 0.07 0.52 -0.22 0.93 -1.30 0.00 0.00 177.93 177.92 1ix1 h GLU 135 N 0.58 0.65 -0.58 5.26 4.39 -0.65 -2.90 114.58 121.33 1ix1 h GLU 135 Ca 0.15 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1ix1 h GLU 135 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1ix1 h GLU 135 CO -0.02 0.92 0.31 0.00 -1.16 0.00 0.00 179.01 179.06 1ix1 h ASP 137 N 0.81 0.58 -0.82 0.00 3.32 -1.10 -1.78 116.42 117.43 1ix1 h ASP 137 Ca 0.21 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.36 1ix1 h ASP 137 Cb 0.04 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1ix1 h ASP 137 CO -0.03 0.39 0.48 0.45 -1.72 0.00 0.00 179.24 178.81 1ix1 h HIS 138 N 0.72 0.87 0.00 4.55 3.86 -1.17 0.16 115.15 124.13 1ix1 h HIS 138 Ca 0.28 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1ix1 h HIS 138 Cb 0.11 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1ix1 h HIS 138 CO -0.07 0.37 0.00 -0.07 0.86 0.00 0.00 177.93 179.02 1ix1 h LEU 139 N 0.81 0.00 -3.40 2.43 3.38 -1.12 -0.87 115.31 116.54 1ix1 h LEU 139 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1ix1 h LEU 139 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ix1 h LEU 139 CO -0.24 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.88 1ix1 n ASN 140 N -2.90 4.83 -1.39 -0.43 3.02 0.17 -1.01 115.26 117.55 1ix1 n ASN 140 Ca -0.01 -2.93 -0.14 0.00 -0.03 0.00 0.00 54.58 51.48 1ix1 n ASN 140 Cb 0.18 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.15 0.30 3.55 7.41 0.00 -0.33 -4.81 105.19 111.45 1ix1 n GLY 141 Ca 0.25 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.21 2.50 0.20 1.61 2.20 0.31 -4.48 119.74 117.87 1ix1 s LYS 142 Ca 0.00 -0.73 0.11 0.00 -0.36 0.00 0.00 55.97 54.99 1ix1 s LYS 142 Cb 0.00 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 1ix1 s LYS 142 CO 0.00 0.61 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.86 1ix1 s LEU 143 N -1.18 2.45 0.53 5.43 1.43 -1.26 -2.98 118.68 123.11 1ix1 s LEU 143 Ca 0.15 -0.89 0.24 0.00 -1.03 0.00 0.00 54.13 52.60 1ix1 s LEU 143 Cb -0.11 -1.11 1.48 0.00 0.03 0.00 0.00 46.19 46.48 1ix1 s LEU 143 CO 0.05 0.09 2.15 2.19 0.23 0.00 0.00 176.35 181.05 1ix1 h PHE 144 N 3.10 0.00 0.00 0.29 -5.15 -1.98 -0.24 116.94 112.96 1ix1 h PHE 144 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1ix1 h PHE 144 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1ix1 h PHE 144 CO 0.70 0.06 0.00 -0.39 -2.00 0.00 0.00 178.31 176.68 1ix1 h VAL 145 N 0.00 0.00 0.00 0.88 -1.51 -1.97 -1.62 116.25 112.03 1ix1 h VAL 145 Ca -0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1ix1 h VAL 145 Cb 0.13 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1ix1 h VAL 145 CO 0.01 0.00 -0.05 0.44 -1.23 0.00 0.00 177.57 176.73 1ix1 h ASP 146 N 0.00 0.00 0.51 4.19 3.32 -1.45 -2.39 116.42 120.60 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 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ix1 h ASP 146 CO 0.00 0.05 -0.32 -1.22 -1.72 0.00 0.00 179.24 176.04 1ix1 n TYR 147 N -3.20 0.00 -2.54 4.55 4.02 -0.61 -4.92 117.16 114.46 1ix1 n TYR 147 Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1ix1 n TYR 147 Cb 0.30 -0.26 0.04 0.00 -0.02 0.00 0.00 39.34 39.40 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 -2.83 3.25 0.60 7.72 1.43 -0.90 -5.03 118.68 122.91 1ix1 s LEU 148 Ca 0.17 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 1ix1 s LEU 148 Cb 0.18 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1ix1 s LEU 148 CO 0.61 -1.11 1.27 -0.94 0.23 0.00 0.00 176.35 176.40 1ix1 s SER 149 N -4.36 5.04 0.35 2.29 1.04 -1.26 -4.78 113.70 112.02 1ix1 s SER 149 Ca 0.55 2.54 0.05 0.00 0.48 0.00 0.00 55.95 59.57 1ix1 s SER 149 Cb -0.10 -2.61 0.71 0.00 0.10 0.00 0.00 66.02 64.12 1ix1 s SER 149 CO 0.42 -1.71 1.94 0.00 0.98 0.00 0.00 173.24 174.87 1ix1 h THR 150 N 0.92 1.01 -0.46 2.02 1.03 -1.96 -0.89 112.91 114.57 1ix1 h THR 150 Ca -0.51 -0.27 -0.10 0.00 -0.01 0.00 0.00 66.41 65.52 1ix1 h THR 150 Cb 1.31 0.14 -0.02 0.00 -1.07 0.00 0.00 68.15 68.51 1ix1 h THR 150 CO 0.55 0.15 -0.12 -0.07 -0.01 0.00 0.00 175.52 176.01 1ix1 h LEU 151 N 0.80 0.85 -0.21 0.00 3.38 -1.99 -0.07 115.31 118.07 1ix1 h LEU 151 Ca 0.34 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1ix1 h LEU 151 Cb 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ix1 h LEU 151 CO -0.12 0.98 -0.29 0.50 0.09 0.00 0.00 178.44 179.60 1ix1 h LYS 152 N 0.76 0.56 -0.88 1.13 3.64 -1.71 -1.77 116.57 118.30 1ix1 h LYS 152 Ca 0.12 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1ix1 h LYS 152 Cb 0.63 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1ix1 h LYS 152 CO 0.04 0.93 0.46 -0.09 -2.27 0.00 0.00 179.45 178.52 1ix1 h ARG 153 N 0.24 1.24 -0.57 1.90 2.43 -1.08 -1.75 114.38 116.81 1ix1 h ARG 153 Ca 0.02 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1ix1 h ARG 153 Cb 0.86 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ix1 h ARG 153 CO 0.07 0.92 0.21 0.22 -1.51 0.00 0.00 179.97 179.89 1ix1 h ASP 154 N 1.24 0.79 -0.58 -3.80 -0.00 -0.92 0.48 116.42 113.64 1ix1 h ASP 154 Ca 0.31 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1ix1 h ASP 154 Cb 0.06 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.15 1ix1 h ASP 154 CO -0.05 0.76 0.37 0.03 -0.00 0.00 0.00 179.24 180.35 1ix1 h ARG 155 N 0.78 0.77 -0.29 0.28 3.08 -0.92 -0.62 114.38 117.46 1ix1 h ARG 155 Ca 0.19 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1ix1 h ARG 155 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ix1 h ARG 155 CO -0.01 0.53 0.08 0.82 -1.07 0.00 0.00 179.97 180.31 1ix1 h ILE 156 N 0.78 1.21 -0.23 2.04 2.04 -1.01 -1.43 117.51 120.91 1ix1 h ILE 156 Ca 0.21 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.42 1ix1 h ILE 156 Cb -0.07 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1ix1 h ILE 156 CO -0.04 0.23 0.00 -0.09 0.00 0.00 0.00 178.15 178.25 1ix1 h ARG 157 N 0.30 0.07 -0.65 2.37 2.43 -0.60 -0.98 114.38 117.32 1ix1 h ARG 157 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1ix1 h ARG 157 Cb 0.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1ix1 h ARG 157 CO -0.00 0.05 0.30 0.87 -1.51 0.00 0.00 179.97 179.68 1ix1 h LYS 158 N 0.07 0.93 -0.40 0.20 1.57 -0.99 0.87 116.57 118.82 1ix1 h LYS 158 Ca 0.11 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1ix1 h LYS 158 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ix1 h LYS 158 CO -0.18 0.73 -0.03 0.87 -0.57 0.00 0.00 179.45 180.27 1ix1 h LYS 159 N 0.92 0.72 -0.42 3.15 1.57 -0.80 -2.03 116.57 119.69 1ix1 h LYS 159 Ca 0.23 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1ix1 h LYS 159 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ix1 h LYS 159 CO -0.03 0.82 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.32 1ix1 h LEU 160 N 0.54 0.95 -1.18 2.94 3.38 -0.84 -1.68 115.31 119.43 1ix1 h LEU 160 Ca 0.11 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ix1 h LEU 160 Cb 0.52 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ix1 h LEU 160 CO 0.03 1.17 0.03 -0.33 0.09 0.00 0.00 178.44 179.43 1ix1 h GLU 161 N 0.77 0.60 -0.25 1.13 5.08 -0.79 -0.13 114.58 121.00 1ix1 h GLU 161 Ca 0.09 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1ix1 h GLU 161 Cb 0.86 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ix1 h GLU 161 CO 0.08 0.60 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.43 1ix1 h LYS 162 N 0.58 0.47 -0.50 2.33 3.64 -1.14 -2.39 116.57 119.55 1ix1 h LYS 162 Ca 0.13 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ix1 h LYS 162 Cb 0.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1ix1 h LYS 162 CO 0.01 0.68 0.30 1.96 -2.27 0.00 0.00 179.45 180.13 1ix1 h GLN 163 N 0.22 0.58 -0.97 1.90 4.20 -0.85 -2.01 115.11 118.17 1ix1 h GLN 163 Ca 0.06 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1ix1 h GLN 163 Cb 0.50 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1ix1 h GLN 163 CO 0.02 0.38 0.64 0.45 -0.67 0.00 0.00 178.83 179.65 1ix1 h HIS 164 N 0.60 1.19 -0.53 2.96 3.86 -0.91 0.15 115.15 122.46 1ix1 h HIS 164 Ca 0.20 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.32 1ix1 h HIS 164 Cb 0.01 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 1ix1 h HIS 164 CO -0.06 0.69 -0.12 0.00 0.86 0.00 0.00 177.93 179.29 1ix1 h ARG 165 N 1.23 1.02 -0.45 2.45 3.08 -0.98 -1.31 114.38 119.41 1ix1 h ARG 165 Ca 0.39 -0.39 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1ix1 h ARG 165 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ix1 h ARG 165 CO -0.12 1.07 -0.21 1.96 -1.07 0.00 0.00 179.97 181.60 1ix1 h GLN 166 N 0.89 0.90 0.00 0.04 4.20 -0.72 -2.40 115.11 118.01 1ix1 h GLN 166 Ca 0.13 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1ix1 h GLN 166 Cb 0.69 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1ix1 h GLN 166 CO 0.05 1.02 -0.23 1.96 -0.67 0.00 0.00 178.83 180.96 1ix1 h GLN 167 N 0.78 0.00 0.00 1.46 4.20 -0.56 -1.45 115.11 119.54 1ix1 h GLN 167 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ix1 h GLN 167 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1ix1 h GLN 167 CO 0.06 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 1ix1 h ALA 168 N 1.77 1.00 -0.35 3.87 0.00 -0.75 -2.96 119.26 121.84 1ix1 h ALA 168 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ix1 h ALA 168 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ix1 h ALA 168 CO 0.03 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 176.89 1ix1 n HIS 169 N -2.96 0.99 0.56 0.00 1.44 -0.55 -5.09 115.22 109.61 1ix1 n HIS 169 Ca 0.03 -0.37 0.07 0.00 -2.01 0.00 0.00 57.72 55.44 1ix1 n HIS 169 Cb 0.44 -0.23 0.06 0.00 0.12 0.00 0.00 29.99 30.38 1ix1 n HIS 169 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14