#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux2 s PHE 1 N 0.00 2.80 0.92 -0.32 0.08 -1.26 -5.08 117.98 115.13 1ux2 s PHE 1 Ca 0.00 -1.70 -0.15 0.00 0.12 0.00 0.00 56.93 55.20 1ux2 s PHE 1 Cb 0.00 -1.90 0.16 0.00 -0.57 0.00 0.00 43.02 40.71 1ux2 s PHE 1 CO 0.00 -0.81 1.26 0.16 -0.10 0.00 0.00 175.22 175.73 1ux2 s ASP 2 N 1.28 3.45 0.37 1.36 1.47 -1.26 -4.24 116.67 119.11 1ux2 s ASP 2 Ca 0.03 0.48 0.06 0.00 1.18 0.00 0.00 52.55 54.31 1ux2 s ASP 2 Cb -0.14 -0.70 0.77 0.00 -0.34 0.00 0.00 42.92 42.51 1ux2 s ASP 2 CO -0.12 -2.54 1.97 0.03 0.68 0.00 0.00 175.17 175.20 1ux2 h ARG 3 N -1.50 0.69 -0.76 2.11 3.08 -1.98 -1.47 114.38 114.55 1ux2 h ARG 3 Ca -0.45 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 1ux2 h ARG 3 Cb 1.27 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1ux2 h ARG 3 CO 0.48 0.46 0.35 0.00 -1.07 0.00 0.00 179.97 180.19 1ux2 h ALA 4 N 1.63 0.98 -0.42 0.04 0.00 -1.99 -0.87 119.26 118.63 1ux2 h ALA 4 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ux2 h ALA 4 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ux2 h ALA 4 CO -0.09 0.55 0.01 -0.44 0.00 0.00 0.00 179.25 179.28 1ux2 h ASP 5 N 1.07 0.72 -0.37 0.00 3.32 -1.65 -0.48 116.42 119.03 1ux2 h ASP 5 Ca 0.26 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1ux2 h ASP 5 Cb 0.14 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1ux2 h ASP 5 CO -0.03 0.84 0.19 0.40 -1.72 0.00 0.00 179.24 178.92 1ux2 h ILE 6 N 0.57 1.16 -0.33 0.35 2.04 -1.21 0.02 117.51 120.11 1ux2 h ILE 6 Ca 0.12 -0.44 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 1ux2 h ILE 6 Cb 0.47 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1ux2 h ILE 6 CO 0.02 0.17 -0.39 -0.07 0.00 0.00 0.00 178.15 177.88 1ux2 h LEU 7 N 0.46 0.85 -0.04 1.44 3.38 -1.13 -1.57 115.31 118.71 1ux2 h LEU 7 Ca 0.13 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ux2 h LEU 7 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ux2 h LEU 7 CO -0.02 1.14 0.00 0.22 0.09 0.00 0.00 178.44 179.87 1ux2 h TYR 8 N 0.65 0.00 -0.51 1.13 3.20 -0.95 -0.47 116.97 120.02 1ux2 h TYR 8 Ca 0.05 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1ux2 h TYR 8 Cb 0.95 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 1ux2 h TYR 8 CO 0.05 -0.00 0.34 -0.91 -1.64 0.00 0.00 178.16 176.00 1ux2 h ASN 9 N 0.02 0.58 -0.16 -2.11 2.35 -0.84 -0.89 115.58 114.53 1ux2 h ASN 9 Ca 0.02 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ux2 h ASN 9 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1ux2 h ASN 9 CO -0.03 0.42 0.09 0.40 -1.65 0.00 0.00 177.43 176.67 1ux2 h ILE 10 N 0.69 1.09 -0.32 2.81 2.04 -1.21 -2.08 117.51 120.52 1ux2 h ILE 10 Ca 0.19 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1ux2 h ILE 10 Cb -0.08 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1ux2 h ILE 10 CO -0.04 0.08 -0.01 -0.09 0.00 0.00 0.00 178.15 178.09 1ux2 h ARG 11 N 0.17 0.51 0.00 2.37 2.43 -0.81 0.30 114.38 119.35 1ux2 h ARG 11 Ca 0.06 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1ux2 h ARG 11 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1ux2 h ARG 11 CO -0.01 0.54 -0.26 1.96 -1.51 0.00 0.00 179.97 180.70 1ux2 h GLN 12 N 0.48 0.00 0.00 0.20 1.08 -0.99 -3.40 115.11 112.48 1ux2 h GLN 12 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1ux2 h GLN 12 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1ux2 h GLN 12 CO 0.01 0.26 -0.15 0.25 -0.95 0.00 0.00 178.83 178.25 1ux2 n THR 13 N -3.17 0.00 -2.21 -0.54 -2.24 -0.80 -5.00 114.28 100.33 1ux2 n THR 13 Ca 0.03 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1ux2 n THR 13 Cb 0.63 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1ux2 n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ux2 s SER 14 N -0.74 6.87 -0.56 3.42 0.15 0.10 -4.98 113.70 117.97 1ux2 s SER 14 Ca 0.00 2.34 -0.07 0.00 0.70 0.00 0.00 55.95 58.92 1ux2 s SER 14 Cb 0.00 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 1ux2 s SER 14 CO 0.00 -0.58 0.41 -0.13 1.20 0.00 0.00 173.24 174.14 1ux2 s ARG 15 N 0.53 2.60 0.46 5.44 0.52 -1.26 -4.94 118.95 122.30 1ux2 s ARG 15 Ca 0.61 -2.08 0.31 0.00 -0.52 0.00 0.00 55.73 54.05 1ux2 s ARG 15 Cb -0.36 -3.90 1.42 0.00 0.52 0.00 0.00 34.95 32.63 1ux2 s ARG 15 CO 0.34 -1.19 1.94 -1.35 0.02 0.00 0.00 175.30 175.06 1ux2 h PRO 16 N 7.92 0.00 -0.01 3.54 0.11 -1.83 -2.20 132.00 139.52 1ux2 h PRO 16 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1ux2 h PRO 16 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ux2 h PRO 16 CO 0.79 0.00 -0.12 -0.25 -0.21 0.00 0.00 178.00 178.21 1ux2 n ASP 17 N -2.75 1.50 -4.30 -2.05 8.00 -1.26 -3.95 116.55 111.73 1ux2 n ASP 17 Ca 0.00 -1.33 -0.37 0.00 0.71 0.00 0.00 54.79 53.80 1ux2 n ASP 17 Cb 0.21 0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 1ux2 n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ux2 s VAL 18 N -2.20 3.81 0.17 2.53 1.01 -0.83 -5.07 120.40 119.82 1ux2 s VAL 18 Ca 0.31 -0.91 -0.32 0.00 0.00 0.00 0.00 61.98 61.07 1ux2 s VAL 18 Cb 0.20 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 1ux2 s VAL 18 CO 0.41 -0.02 1.62 -0.51 0.00 0.00 0.00 175.10 176.59 1ux2 s ILE 19 N 1.44 2.47 -0.61 2.22 2.07 -1.26 -4.83 121.20 122.70 1ux2 s ILE 19 Ca 0.01 0.33 -0.07 0.00 -1.41 0.00 0.00 60.65 59.50 1ux2 s ILE 19 Cb -0.18 -3.21 -0.14 0.00 0.13 0.00 0.00 42.46 39.06 1ux2 s ILE 19 CO 0.02 0.02 3.23 -0.81 -1.91 0.00 0.00 174.94 175.49 1ux2 n PRO 20 N 4.04 2.73 -2.07 3.50 -0.04 -1.26 -4.95 135.00 136.94 1ux2 n PRO 20 Ca 0.14 -1.72 -0.40 0.00 -0.04 0.00 0.00 63.50 61.49 1ux2 n PRO 20 Cb 0.38 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 1ux2 n PRO 20 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ux2 s THR 21 N 0.67 2.64 -0.03 0.52 -4.23 -1.26 -4.84 115.64 109.10 1ux2 s THR 21 Ca 0.66 0.60 0.02 0.00 -1.18 0.00 0.00 61.69 61.78 1ux2 s THR 21 Cb 0.28 -3.36 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1ux2 s THR 21 CO -0.06 0.11 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.49 1ux2 s GLN 22 N -2.09 0.85 -1.03 3.99 2.00 -1.25 -4.74 119.66 117.38 1ux2 s GLN 22 Ca 0.54 -0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 1ux2 s GLN 22 Cb -0.39 -0.81 0.00 0.00 0.80 0.00 0.00 33.01 32.61 1ux2 s GLN 22 CO 0.51 0.01 0.00 0.54 -0.50 0.00 0.00 175.29 175.85 1ux2 n ARG 23 N 3.64 -1.73 -1.66 1.67 1.74 -1.26 -1.67 116.66 117.38 1ux2 n ARG 23 Ca -0.22 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.59 1ux2 n ARG 23 Cb 0.53 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.71 1ux2 n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ux2 n ASP 24 N -1.07 -3.88 -4.90 0.55 2.03 -1.26 -5.05 116.55 102.97 1ux2 n ASP 24 Ca -0.10 0.14 -0.30 0.00 0.52 0.00 0.00 54.79 55.06 1ux2 n ASP 24 Cb 0.57 -2.63 -0.04 0.00 -0.72 0.00 0.00 41.12 38.30 1ux2 n ASP 24 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ux2 s ARG 25 N -3.54 3.66 0.59 -0.67 0.52 -0.67 -4.98 118.95 113.87 1ux2 s ARG 25 Ca 0.00 0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.05 1ux2 s ARG 25 Cb 0.00 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1ux2 s ARG 25 CO 0.00 0.30 1.22 -1.25 0.02 0.00 0.00 175.30 175.59 1ux2 s PRO 26 N -3.18 2.97 0.03 3.54 0.04 -1.18 -3.82 135.00 133.39 1ux2 s PRO 26 Ca 0.44 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 1ux2 s PRO 26 Cb -0.11 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1ux2 s PRO 26 CO 0.27 -1.22 1.36 0.08 0.04 0.00 0.00 177.00 177.53 1ux2 s VAL 27 N -1.57 3.70 -0.48 -0.36 1.01 0.23 -4.78 120.40 118.15 1ux2 s VAL 27 Ca 0.77 1.14 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 1ux2 s VAL 27 Cb -0.31 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1ux2 s VAL 27 CO 0.34 0.03 0.91 0.00 0.00 0.00 0.00 175.10 176.37 1ux2 s ALA 28 N 1.96 3.22 -0.25 5.51 0.00 -1.26 -1.43 121.76 129.51 1ux2 s ALA 28 Ca 0.63 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 1ux2 s ALA 28 Cb -0.32 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1ux2 s ALA 28 CO 0.27 -2.12 0.11 0.08 0.00 0.00 0.00 175.76 174.11 1ux2 s VAL 29 N 3.74 4.73 -0.12 0.00 1.01 0.00 -4.43 120.40 125.34 1ux2 s VAL 29 Ca 0.35 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1ux2 s VAL 29 Cb -0.11 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1ux2 s VAL 29 CO 0.24 0.32 0.46 -0.44 0.00 0.00 0.00 175.10 175.69 1ux2 s SER 30 N 1.49 6.67 -0.07 3.32 0.01 0.23 -0.87 113.70 124.48 1ux2 s SER 30 Ca 0.06 0.80 0.03 0.00 1.31 0.00 0.00 55.95 58.15 1ux2 s SER 30 Cb -0.15 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1ux2 s SER 30 CO 0.06 0.01 -0.15 -0.69 0.41 0.00 0.00 173.24 172.88 1ux2 s VAL 31 N 0.58 1.34 -0.07 3.43 1.01 0.34 -1.50 120.40 125.54 1ux2 s VAL 31 Ca 0.25 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1ux2 s VAL 31 Cb -0.15 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1ux2 s VAL 31 CO 0.10 0.40 0.14 -0.55 0.00 0.00 0.00 175.10 175.19 1ux2 s SER 32 N 0.61 0.13 -0.17 3.32 0.15 -0.32 -2.89 113.70 114.52 1ux2 s SER 32 Ca -0.15 0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 1ux2 s SER 32 Cb -0.16 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.28 1ux2 s SER 32 CO 0.05 -0.17 0.27 -0.76 1.20 0.00 0.00 173.24 173.82 1ux2 s LEU 33 N 1.44 4.23 -0.26 3.45 1.43 -1.26 -0.91 118.68 126.80 1ux2 s LEU 33 Ca -0.06 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1ux2 s LEU 33 Cb -0.12 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1ux2 s LEU 33 CO -0.06 0.10 -0.02 -0.54 0.23 0.00 0.00 176.35 176.06 1ux2 s LYS 34 N 0.52 2.84 0.09 1.70 -0.14 -0.47 -4.95 119.74 119.33 1ux2 s LYS 34 Ca 0.15 -0.99 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 1ux2 s LYS 34 Cb -0.13 -3.09 -0.05 0.00 -1.68 0.00 0.00 37.83 32.88 1ux2 s LYS 34 CO 0.03 -0.44 0.97 -0.06 -0.76 0.00 0.00 175.35 175.10 1ux2 s PHE 35 N 1.35 3.76 -0.12 3.18 0.08 -1.26 0.06 117.98 125.04 1ux2 s PHE 35 Ca -0.00 1.76 0.02 0.00 0.12 0.00 0.00 56.93 58.83 1ux2 s PHE 35 Cb -0.17 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.11 1ux2 s PHE 35 CO -0.03 0.10 -0.09 -0.89 -0.10 0.00 0.00 175.22 174.22 1ux2 n ILE 36 N 3.04 0.70 -3.56 0.64 2.08 0.86 -3.42 119.36 119.71 1ux2 n ILE 36 Ca 0.03 -0.29 -0.17 0.00 0.56 0.00 0.00 62.75 62.88 1ux2 n ILE 36 Cb 0.49 -0.91 -0.06 0.00 -0.75 0.00 0.00 39.64 38.41 1ux2 n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1ux2 s ASN 37 N -5.04 -0.60 -0.25 4.38 3.84 -0.81 0.05 114.94 116.51 1ux2 s ASN 37 Ca -0.15 0.65 0.02 0.00 0.21 0.00 0.00 52.86 53.59 1ux2 s ASN 37 Cb 0.04 0.53 0.05 0.00 -0.55 0.00 0.00 41.25 41.32 1ux2 s ASN 37 CO 0.30 -0.58 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.30 1ux2 s ILE 38 N -1.18 2.33 -0.17 -5.21 1.01 -1.26 -0.26 121.20 116.46 1ux2 s ILE 38 Ca -0.11 -1.47 0.04 0.00 0.00 0.00 0.00 60.65 59.11 1ux2 s ILE 38 Cb -0.01 -2.30 -0.22 0.00 0.01 0.00 0.00 42.46 39.94 1ux2 s ILE 38 CO 0.09 0.05 0.16 0.18 0.00 0.00 0.00 174.94 175.42 1ux2 n LEU 39 N 4.50 2.02 -3.69 2.97 4.77 0.34 -4.60 117.00 123.30 1ux2 n LEU 39 Ca -0.15 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1ux2 n LEU 39 Cb 0.44 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1ux2 n LEU 39 CO 0.23 0.75 0.21 -0.70 -1.33 0.00 0.00 177.39 176.54 1ux2 s GLU 40 N -2.54 0.61 -0.00 3.23 2.12 -1.18 -4.99 118.70 115.95 1ux2 s GLU 40 Ca -0.22 0.73 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1ux2 s GLU 40 Cb 0.08 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1ux2 s GLU 40 CO 0.73 -0.07 0.00 0.08 -0.54 0.00 0.00 175.26 175.46 1ux2 s VAL 41 N 0.30 0.00 -0.24 3.70 1.01 -1.26 -0.66 120.40 123.25 1ux2 s VAL 41 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1ux2 s VAL 41 Cb -0.04 -0.02 0.08 0.00 0.00 0.00 0.00 36.38 36.41 1ux2 s VAL 41 CO 0.00 -0.00 0.09 0.21 0.00 0.00 0.00 175.10 175.40 1ux2 s ASN 42 N -0.01 3.15 0.48 3.32 3.84 -0.72 -5.02 114.94 119.98 1ux2 s ASN 42 Ca -0.00 -1.05 0.27 0.00 0.21 0.00 0.00 52.86 52.29 1ux2 s ASN 42 Cb -0.00 -0.46 1.06 0.00 -0.55 0.00 0.00 41.25 41.29 1ux2 s ASN 42 CO -0.00 -0.38 1.88 -0.08 -2.79 0.00 0.00 177.10 175.73 1ux2 h GLU 43 N 8.32 0.00 -0.01 0.43 4.81 -1.88 0.40 114.58 126.66 1ux2 h GLU 43 Ca -0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1ux2 h GLU 43 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ux2 h GLU 43 CO 0.38 0.14 -0.06 0.82 -0.73 0.00 0.00 179.01 179.55 1ux2 h ILE 44 N 0.00 1.55 0.00 2.32 1.08 -1.97 -3.34 117.51 117.16 1ux2 h ILE 44 Ca -0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1ux2 h ILE 44 Cb 0.67 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1ux2 h ILE 44 CO 0.02 0.45 -0.44 0.35 -0.69 0.00 0.00 178.15 177.84 1ux2 n THR 45 N -4.69 0.08 -3.35 -0.27 -2.24 -1.20 -4.98 114.28 97.63 1ux2 n THR 45 Ca -0.09 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1ux2 n THR 45 Cb 0.39 0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1ux2 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ux2 n ASN 46 N -1.64 -4.21 -3.98 3.42 3.02 0.11 -4.93 115.26 107.04 1ux2 n ASN 46 Ca 0.05 -0.67 -0.19 0.00 -0.03 0.00 0.00 54.58 53.74 1ux2 n ASN 46 Cb 0.36 -5.15 -0.15 0.00 -0.61 0.00 0.00 39.78 34.23 1ux2 n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ux2 s GLU 47 N -4.92 0.80 0.10 3.52 2.02 -1.08 -2.03 118.70 117.11 1ux2 s GLU 47 Ca 0.22 -0.26 0.09 0.00 0.02 0.00 0.00 54.97 55.03 1ux2 s GLU 47 Cb -0.03 -0.77 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 1ux2 s GLU 47 CO 0.74 0.11 -0.22 0.14 0.02 0.00 0.00 175.26 176.04 1ux2 s VAL 48 N 0.14 1.80 -0.15 2.63 -7.23 -0.12 -1.76 120.40 115.71 1ux2 s VAL 48 Ca -0.02 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1ux2 s VAL 48 Cb -0.07 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.26 1ux2 s VAL 48 CO 0.00 0.01 -0.18 -0.62 -0.31 0.00 0.00 175.10 174.00 1ux2 s ASP 49 N -1.80 3.38 0.03 4.85 -1.08 0.16 -0.26 116.67 121.95 1ux2 s ASP 49 Ca 0.08 -0.55 -0.02 0.00 -0.52 0.00 0.00 52.55 51.54 1ux2 s ASP 49 Cb -0.10 -1.51 -0.02 0.00 -1.46 0.00 0.00 42.92 39.84 1ux2 s ASP 49 CO 0.04 0.07 0.02 -0.69 0.52 0.00 0.00 175.17 175.13 1ux2 s VAL 50 N 0.87 0.14 -0.14 1.11 1.01 -0.66 -0.50 120.40 122.22 1ux2 s VAL 50 Ca -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1ux2 s VAL 50 Cb -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1ux2 s VAL 50 CO -0.02 -0.63 -0.21 -0.69 0.00 0.00 0.00 175.10 173.55 1ux2 s VAL 51 N -2.32 2.13 0.03 2.92 1.01 0.65 -1.53 120.40 123.29 1ux2 s VAL 51 Ca -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1ux2 s VAL 51 Cb -0.03 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1ux2 s VAL 51 CO -0.04 0.55 0.07 0.72 0.00 0.00 0.00 175.10 176.40 1ux2 s PHE 52 N 0.79 0.21 -0.21 5.22 -0.12 -0.36 -0.09 117.98 123.41 1ux2 s PHE 52 Ca -0.07 -0.49 -0.21 0.00 -0.05 0.00 0.00 56.93 56.11 1ux2 s PHE 52 Cb -0.16 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1ux2 s PHE 52 CO -0.01 -0.32 0.64 -1.58 -0.05 0.00 0.00 175.22 173.89 1ux2 s TRP 53 N -2.28 3.35 -1.04 3.49 0.51 0.11 -0.88 118.94 122.20 1ux2 s TRP 53 Ca -0.08 0.91 -0.13 0.00 -2.12 0.00 0.00 56.10 54.68 1ux2 s TRP 53 Cb -0.03 -2.82 0.22 0.00 -0.81 0.00 0.00 33.47 30.03 1ux2 s TRP 53 CO -0.03 -0.22 1.11 -1.14 -0.51 0.00 0.00 176.95 176.16 1ux2 s GLN 54 N 2.08 3.96 -0.32 4.98 0.74 -0.57 -1.36 119.66 129.16 1ux2 s GLN 54 Ca 0.28 -2.69 -0.29 0.00 0.05 0.00 0.00 55.36 52.72 1ux2 s GLN 54 Cb -0.16 -4.70 -0.01 0.00 1.10 0.00 0.00 33.01 29.24 1ux2 s GLN 54 CO 0.10 -1.45 1.63 -1.14 -0.55 0.00 0.00 175.29 173.88 1ux2 s GLN 55 N 0.29 3.55 -0.13 1.67 0.74 -0.08 -3.93 119.66 121.77 1ux2 s GLN 55 Ca 0.31 1.36 0.02 0.00 0.05 0.00 0.00 55.36 57.10 1ux2 s GLN 55 Cb -0.08 -4.10 0.01 0.00 1.10 0.00 0.00 33.01 29.95 1ux2 s GLN 55 CO -0.07 -1.60 -0.20 0.99 -0.55 0.00 0.00 175.29 173.87 1ux2 s THR 56 N 5.94 1.90 0.08 -0.34 2.01 0.51 -1.17 115.64 124.57 1ux2 s THR 56 Ca 0.72 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.90 1ux2 s THR 56 Cb -0.21 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1ux2 s THR 56 CO 0.32 0.52 -0.17 0.42 -0.69 0.00 0.00 174.62 175.02 1ux2 s THR 57 N 0.88 1.37 0.27 -0.82 -4.23 -0.56 -0.15 115.64 112.41 1ux2 s THR 57 Ca -0.06 -1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 1ux2 s THR 57 Cb -0.15 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.46 1ux2 s THR 57 CO -0.02 -0.13 0.82 -1.66 -0.54 0.00 0.00 174.62 173.09 1ux2 s TRP 58 N -1.18 -0.07 -0.08 3.99 -2.14 -0.90 -0.60 118.94 117.95 1ux2 s TRP 58 Ca 0.02 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.36 1ux2 s TRP 58 Cb -0.10 0.73 -0.03 0.00 -3.10 0.00 0.00 33.47 30.98 1ux2 s TRP 58 CO 0.03 -1.22 -0.07 0.45 -2.66 0.00 0.00 176.95 173.48 1ux2 s SER 59 N -3.01 4.62 -0.29 -2.66 0.15 -1.26 -0.36 113.70 110.89 1ux2 s SER 59 Ca 0.13 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 1ux2 s SER 59 Cb -0.04 -1.28 0.10 0.00 -1.71 0.00 0.00 66.02 63.09 1ux2 s SER 59 CO 0.07 0.32 0.13 -0.62 1.20 0.00 0.00 173.24 174.34 1ux2 s ASP 60 N -0.58 3.60 0.40 5.45 -1.08 0.14 -4.87 116.67 119.72 1ux2 s ASP 60 Ca 0.09 -1.36 0.28 0.00 -0.52 0.00 0.00 52.55 51.03 1ux2 s ASP 60 Cb -0.12 -0.43 1.09 0.00 -1.46 0.00 0.00 42.92 42.00 1ux2 s ASP 60 CO 0.02 -0.43 1.83 0.03 0.52 0.00 0.00 175.17 177.13 1ux2 h ARG 61 N 8.33 0.00 0.00 4.34 3.08 -1.85 -1.94 114.38 126.34 1ux2 h ARG 61 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ux2 h ARG 61 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1ux2 h ARG 61 CO 0.44 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.59 1ux2 n THR 62 N -2.68 0.65 0.14 2.04 -2.24 -1.26 -2.25 114.28 108.68 1ux2 n THR 62 Ca 0.02 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1ux2 n THR 62 Cb 0.30 -0.83 0.04 0.00 -2.10 0.00 0.00 70.33 67.74 1ux2 n THR 62 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ux2 h LEU 63 N 0.00 0.00-10.01 3.22 3.38 -1.69 -3.46 115.31 106.75 1ux2 h LEU 63 Ca 0.00 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ux2 h LEU 63 Cb 0.35 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.25 1ux2 h LEU 63 CO 0.00 0.00 0.53 0.00 0.09 0.00 0.00 178.44 179.06 1ux2 n ALA 64 N -2.16 1.36 -2.17 1.53 0.00 -0.96 -4.75 120.51 113.37 1ux2 n ALA 64 Ca 0.01 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1ux2 n ALA 64 Cb 0.54 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 1ux2 n ALA 64 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1ux2 s TRP 65 N -1.32 0.61 -0.49 0.00 -2.14 -0.65 -4.97 118.94 109.98 1ux2 s TRP 65 Ca 0.73 -1.08 -0.28 0.00 2.66 0.00 0.00 56.10 58.12 1ux2 s TRP 65 Cb -0.42 -0.39 0.02 0.00 -3.10 0.00 0.00 33.47 29.58 1ux2 s TRP 65 CO 0.48 -0.45 1.36 1.21 -2.66 0.00 0.00 176.95 176.89 1ux2 s ASN 66 N -2.96 6.30 -0.28 -2.66 3.84 -1.26 -4.66 114.94 113.26 1ux2 s ASN 66 Ca 0.13 0.52 0.11 0.00 0.21 0.00 0.00 52.86 53.84 1ux2 s ASN 66 Cb 0.07 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.83 1ux2 s ASN 66 CO -0.06 -1.52 1.59 -1.54 -2.79 0.00 0.00 177.10 172.79 1ux2 n SER 67 N 8.95 3.74 0.06 -4.21 3.41 -1.26 -4.58 113.62 119.72 1ux2 n SER 67 Ca 0.14 -3.36 0.05 0.00 -0.26 0.00 0.00 58.87 55.44 1ux2 n SER 67 Cb 0.49 -0.66 0.48 0.00 -0.26 0.00 0.00 64.21 64.26 1ux2 n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ux2 h SER 68 N 1.76 0.36 -0.04 4.04 4.64 -1.94 -3.08 113.55 119.27 1ux2 h SER 68 Ca 0.20 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1ux2 h SER 68 Cb 1.89 -0.09 -0.26 0.00 -0.31 0.00 0.00 62.40 63.63 1ux2 h SER 68 CO 0.50 0.26 -0.86 1.41 -0.87 0.00 0.00 176.83 177.27 1ux2 n HIS 69 N -4.49 0.14 -4.10 4.77 8.25 -1.26 -5.08 115.22 113.45 1ux2 n HIS 69 Ca 0.02 -0.97 -0.08 0.00 -0.26 0.00 0.00 57.72 56.43 1ux2 n HIS 69 Cb 0.08 -0.19 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 1ux2 n HIS 69 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ux2 s SER 70 N -2.55 0.62 0.39 0.41 0.01 -1.17 -3.20 113.70 108.20 1ux2 s SER 70 Ca 0.35 -0.95 -0.25 0.00 1.31 0.00 0.00 55.95 56.42 1ux2 s SER 70 Cb 0.38 0.17 -0.12 0.00 0.21 0.00 0.00 66.02 66.66 1ux2 s SER 70 CO -0.12 -0.54 0.88 -2.65 0.41 0.00 0.00 173.24 171.22 1ux2 n PRO 71 N 0.22 1.11 -0.13 12.44 -0.02 -1.26 -4.76 135.00 142.60 1ux2 n PRO 71 Ca -0.15 0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1ux2 n PRO 71 Cb 0.60 -1.84 0.16 0.00 -0.02 0.00 0.00 33.50 32.40 1ux2 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ux2 n ASP 72 N 0.88 2.99 -3.75 2.55 3.85 -1.26 -4.82 116.55 116.99 1ux2 n ASP 72 Ca 0.10 -1.87 -0.13 0.00 -0.71 0.00 0.00 54.79 52.18 1ux2 n ASP 72 Cb 0.37 -0.17 -0.10 0.00 -1.35 0.00 0.00 41.12 39.88 1ux2 n ASP 72 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1ux2 s GLN 73 N -1.31 0.53 0.06 0.11 -0.21 -1.26 0.20 119.66 117.78 1ux2 s GLN 73 Ca 0.29 0.22 -0.06 0.00 0.02 0.00 0.00 55.36 55.83 1ux2 s GLN 73 Cb 0.18 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.42 1ux2 s GLN 73 CO 0.25 -0.11 0.11 0.14 -2.12 0.00 0.00 175.29 173.56 1ux2 s VAL 74 N -0.44 0.16 -0.15 1.09 -7.23 -0.60 -4.99 120.40 108.23 1ux2 s VAL 74 Ca -0.06 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1ux2 s VAL 74 Cb -0.04 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 1ux2 s VAL 74 CO 0.02 -0.72 0.20 -0.44 -0.31 0.00 0.00 175.10 173.85 1ux2 s SER 75 N -2.66 6.36 -0.03 4.85 0.01 -1.26 -0.48 113.70 120.49 1ux2 s SER 75 Ca 0.03 0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.73 1ux2 s SER 75 Cb 0.04 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 64.16 1ux2 s SER 75 CO -0.09 0.23 -0.08 -0.69 0.41 0.00 0.00 173.24 173.02 1ux2 s VAL 76 N -0.09 0.75 0.25 3.43 1.01 0.40 -4.94 120.40 121.22 1ux2 s VAL 76 Ca 0.13 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 1ux2 s VAL 76 Cb -0.12 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 1ux2 s VAL 76 CO 0.02 0.25 1.63 -2.65 0.00 0.00 0.00 175.10 174.35 1ux2 n PRO 77 N 3.53 2.67 0.28 2.72 -0.02 -1.26 -0.54 135.00 142.38 1ux2 n PRO 77 Ca -0.20 0.95 0.17 0.00 -2.02 0.00 0.00 63.50 62.40 1ux2 n PRO 77 Cb 0.53 -2.75 0.95 0.00 -0.02 0.00 0.00 33.50 32.21 1ux2 n PRO 77 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1ux2 h ILE 78 N 3.51 0.38 0.00 4.25 3.07 -1.64 -0.18 117.51 126.91 1ux2 h ILE 78 Ca -0.45 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 65.96 1ux2 h ILE 78 Cb 1.22 0.94 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1ux2 h ILE 78 CO 0.86 0.00 -0.01 0.77 -1.05 0.00 0.00 178.15 178.72 1ux2 h SER 79 N 0.00 0.00 -0.43 2.16 4.64 -1.89 -0.91 113.55 117.13 1ux2 h SER 79 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ux2 h SER 79 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ux2 h SER 79 CO -0.00 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 1ux2 n SER 80 N -3.41 2.77 -4.14 4.97 7.64 -0.08 -4.88 113.62 116.49 1ux2 n SER 80 Ca -0.03 -1.94 -0.16 0.00 1.01 0.00 0.00 58.87 57.75 1ux2 n SER 80 Cb 0.09 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.89 1ux2 n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ux2 s LEU 81 N -1.24 2.28 0.33 -3.43 1.43 -0.35 -4.69 118.68 113.01 1ux2 s LEU 81 Ca 0.36 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 1ux2 s LEU 81 Cb 0.19 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.93 1ux2 s LEU 81 CO 0.27 -0.13 1.18 0.86 0.23 0.00 0.00 176.35 178.76 1ux2 s TRP 82 N -1.37 3.28 -0.00 0.29 -0.00 -1.25 -4.65 118.94 115.24 1ux2 s TRP 82 Ca -0.04 1.57 0.01 0.00 -0.00 0.00 0.00 56.10 57.64 1ux2 s TRP 82 Cb -0.10 -3.44 -0.00 0.00 -0.00 0.00 0.00 33.47 29.93 1ux2 s TRP 82 CO 0.02 -1.16 -0.04 0.08 -0.00 0.00 0.00 176.95 175.84 1ux2 s VAL 83 N -1.22 0.33 0.30 5.86 1.01 -1.26 -5.05 120.40 120.36 1ux2 s VAL 83 Ca 0.49 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1ux2 s VAL 83 Cb -0.34 -0.29 -0.11 0.00 0.00 0.00 0.00 36.38 35.65 1ux2 s VAL 83 CO 0.44 0.07 1.50 -2.16 0.00 0.00 0.00 175.10 174.95 1ux2 s PRO 84 N -0.17 4.18 -1.06 2.72 0.04 -1.26 -4.90 135.00 134.56 1ux2 s PRO 84 Ca 0.01 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 1ux2 s PRO 84 Cb -0.02 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 1ux2 s PRO 84 CO -0.00 -0.51 2.68 -0.40 0.04 0.00 0.00 177.00 178.81 1ux2 n ASP 85 N 1.80 6.56 -4.77 6.66 5.75 -1.26 -4.96 116.55 126.33 1ux2 n ASP 85 Ca 0.06 -2.43 -0.38 0.00 -0.01 0.00 0.00 54.79 52.03 1ux2 n ASP 85 Cb 0.39 -1.32 -0.05 0.00 -1.03 0.00 0.00 41.12 39.11 1ux2 n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ux2 s LEU 86 N 0.11 4.40 -0.06 -2.12 1.43 -1.26 -0.65 118.68 120.53 1ux2 s LEU 86 Ca 0.56 2.04 -0.05 0.00 -1.03 0.00 0.00 54.13 55.65 1ux2 s LEU 86 Cb 0.17 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1ux2 s LEU 86 CO -0.04 -0.17 0.16 0.00 0.23 0.00 0.00 176.35 176.53 1ux2 s ALA 87 N -1.42 -0.38 -0.22 4.21 0.00 0.04 -4.86 121.76 119.13 1ux2 s ALA 87 Ca 0.49 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1ux2 s ALA 87 Cb -0.25 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1ux2 s ALA 87 CO 0.31 -0.08 1.10 0.00 0.00 0.00 0.00 175.76 177.09 1ux2 s ALA 88 N 0.12 3.67 0.44 0.00 0.00 -1.26 -2.07 121.76 122.66 1ux2 s ALA 88 Ca -0.00 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.29 1ux2 s ALA 88 Cb -0.01 -3.57 0.97 0.00 0.00 0.00 0.00 23.12 20.51 1ux2 s ALA 88 CO -0.00 -1.10 2.08 1.88 0.00 0.00 0.00 175.76 178.62 1ux2 h TYR 89 N 7.67 0.38 -0.44 0.00 0.05 -0.37 -2.75 116.97 121.51 1ux2 h TYR 89 Ca -0.21 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.58 1ux2 h TYR 89 Cb 1.07 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1ux2 h TYR 89 CO 0.77 0.24 0.00 0.27 -1.05 0.00 0.00 178.16 178.38 1ux2 n ASN 90 N -4.49 4.42 -4.77 3.88 6.94 -1.26 -4.99 115.26 114.99 1ux2 n ASN 90 Ca 0.02 -2.74 -0.40 0.00 -0.02 0.00 0.00 54.58 51.44 1ux2 n ASN 90 Cb 0.08 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 36.93 1ux2 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ux2 s ALA 91 N -2.35 3.39 0.00 -2.53 0.00 -1.04 -1.54 121.76 117.69 1ux2 s ALA 91 Ca 0.45 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1ux2 s ALA 91 Cb 0.33 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1ux2 s ALA 91 CO 0.15 -0.50 0.97 0.44 0.00 0.00 0.00 175.76 176.82 1ux2 n ILE 92 N 0.72 0.94 -4.06 0.00 -5.35 -0.48 -4.87 119.36 106.26 1ux2 n ILE 92 Ca 0.01 -0.96 -0.07 0.00 -0.27 0.00 0.00 62.75 61.45 1ux2 n ILE 92 Cb 0.44 0.53 -0.10 0.00 -1.74 0.00 0.00 39.64 38.77 1ux2 n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ux2 s SER 93 N -0.94 0.43 0.46 7.28 1.04 -1.23 -4.94 113.70 115.80 1ux2 s SER 93 Ca 0.00 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.28 1ux2 s SER 93 Cb 0.00 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.25 1ux2 s SER 93 CO 0.00 -0.57 1.35 -0.75 0.98 0.00 0.00 173.24 174.25 1ux2 s LYS 94 N -3.60 3.62 -0.00 4.02 2.20 -1.26 -4.67 119.74 120.05 1ux2 s LYS 94 Ca 0.04 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 57.58 1ux2 s LYS 94 Cb 0.06 -2.55 -0.07 0.00 -1.51 0.00 0.00 37.83 33.75 1ux2 s LYS 94 CO -0.09 -0.80 1.79 -1.25 -0.36 0.00 0.00 175.35 174.64 1ux2 s PRO 95 N -2.54 4.16 -0.51 4.03 0.04 -1.26 -4.77 135.00 134.14 1ux2 s PRO 95 Ca 0.63 2.39 -0.21 0.00 0.04 0.00 0.00 61.00 63.85 1ux2 s PRO 95 Cb -0.40 -4.02 0.05 0.00 0.04 0.00 0.00 34.50 30.16 1ux2 s PRO 95 CO 0.50 -0.89 0.76 -2.00 0.04 0.00 0.00 177.00 175.41 1ux2 s GLU 96 N 4.09 3.23 -0.20 4.56 2.12 -0.17 -4.95 118.70 127.37 1ux2 s GLU 96 Ca 0.80 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 55.30 1ux2 s GLU 96 Cb -0.38 -4.06 -0.00 0.00 0.26 0.00 0.00 34.13 29.95 1ux2 s GLU 96 CO 0.35 -1.30 0.96 0.08 -0.54 0.00 0.00 175.26 174.81 1ux2 s VAL 97 N 3.20 4.76 -0.48 3.70 1.01 -1.26 -0.53 120.40 130.80 1ux2 s VAL 97 Ca 0.23 1.88 0.23 0.00 0.00 0.00 0.00 61.98 64.32 1ux2 s VAL 97 Cb -0.16 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1ux2 s VAL 97 CO 0.16 -0.10 1.15 0.18 0.00 0.00 0.00 175.10 176.49 1ux2 n LEU 98 N 5.87 0.73 -4.63 3.92 4.77 0.13 -4.98 117.00 122.81 1ux2 n LEU 98 Ca 0.09 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 1ux2 n LEU 98 Cb 0.47 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1ux2 n LEU 98 CO 0.51 -0.08 -0.31 0.42 -1.33 0.00 0.00 177.39 176.59 1ux2 s THR 99 N -3.25 2.87 0.20 -5.08 -4.23 -1.25 -4.99 115.64 99.91 1ux2 s THR 99 Ca 0.03 -1.96 -0.32 0.00 -1.18 0.00 0.00 61.69 58.25 1ux2 s THR 99 Cb 0.12 -2.78 -0.14 0.00 1.34 0.00 0.00 72.50 71.04 1ux2 s THR 99 CO 0.76 -0.26 1.43 -2.65 -0.54 0.00 0.00 174.62 173.36 1ux2 n PRO 100 N -0.93 1.93 -1.14 3.99 -0.02 -1.26 -4.85 135.00 132.72 1ux2 n PRO 100 Ca -0.05 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1ux2 n PRO 100 Cb 0.61 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1ux2 n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ux2 n GLN 101 N 2.39 3.00 -4.65 -0.52 1.13 -1.26 -4.88 117.38 112.58 1ux2 n GLN 101 Ca 0.14 -1.96 -0.30 0.00 -1.94 0.00 0.00 57.00 52.94 1ux2 n GLN 101 Cb 0.29 -2.72 -0.13 0.00 0.11 0.00 0.00 30.24 27.79 1ux2 n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ux2 s LEU 102 N 0.34 2.36 0.29 1.08 1.43 -1.26 -1.63 118.68 121.29 1ux2 s LEU 102 Ca 0.57 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1ux2 s LEU 102 Cb 0.15 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 1ux2 s LEU 102 CO -0.05 0.23 -0.01 0.00 0.23 0.00 0.00 176.35 176.76 1ux2 s ALA 103 N -0.94 3.16 -0.23 4.21 0.00 0.30 -4.66 121.76 123.61 1ux2 s ALA 103 Ca 0.14 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 1ux2 s ALA 103 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1ux2 s ALA 103 CO 0.05 0.21 0.10 0.50 0.00 0.00 0.00 175.76 176.62 1ux2 s ARG 104 N -3.68 3.90 -0.13 0.00 6.06 0.18 -0.45 118.95 124.83 1ux2 s ARG 104 Ca 0.32 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.20 1ux2 s ARG 104 Cb -0.05 -3.38 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 1ux2 s ARG 104 CO 0.20 0.04 -0.14 0.08 -2.50 0.00 0.00 175.30 172.97 1ux2 s VAL 105 N 1.05 2.88 0.13 7.11 1.01 0.37 -0.45 120.40 132.51 1ux2 s VAL 105 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1ux2 s VAL 105 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1ux2 s VAL 105 CO 0.04 0.52 0.31 -0.69 0.00 0.00 0.00 175.10 175.28 1ux2 s VAL 106 N 0.46 5.28 -0.60 2.92 1.01 -0.11 -1.56 120.40 127.80 1ux2 s VAL 106 Ca -0.10 -0.35 0.12 0.00 0.00 0.00 0.00 61.98 61.64 1ux2 s VAL 106 Cb -0.16 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.66 1ux2 s VAL 106 CO 0.05 -0.01 1.36 -1.54 0.00 0.00 0.00 175.10 174.95 1ux2 n SER 107 N -0.18 0.29 -0.81 3.32 3.41 0.13 -0.36 113.62 119.42 1ux2 n SER 107 Ca -0.05 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 1ux2 n SER 107 Cb 0.52 -0.67 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 1ux2 n SER 107 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ux2 n ASP 108 N -1.89 2.40 0.00 4.04 5.75 -1.26 -1.64 116.55 123.95 1ux2 n ASP 108 Ca -0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1ux2 n ASP 108 Cb 0.03 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1ux2 n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ux2 n GLY 109 N 1.26 0.74 3.70 6.12 0.00 0.51 -4.74 105.19 112.78 1ux2 n GLY 109 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1ux2 n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ux2 s GLU 110 N -0.48 4.42 -0.14 1.61 2.56 -1.23 0.24 118.70 125.68 1ux2 s GLU 110 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 54.97 56.06 1ux2 s GLU 110 Cb 0.00 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 32.59 1ux2 s GLU 110 CO 0.00 -0.15 0.04 0.08 -0.56 0.00 0.00 175.26 174.67 1ux2 s VAL 111 N 1.47 4.61 -0.20 3.70 1.01 0.52 -0.94 120.40 130.58 1ux2 s VAL 111 Ca 0.43 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1ux2 s VAL 111 Cb -0.18 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1ux2 s VAL 111 CO 0.19 0.54 -0.17 -0.76 0.00 0.00 0.00 175.10 174.89 1ux2 s LEU 112 N -0.25 2.39 -0.12 3.92 1.02 0.41 -2.13 118.68 123.92 1ux2 s LEU 112 Ca 0.07 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.48 1ux2 s LEU 112 Cb -0.12 -1.51 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1ux2 s LEU 112 CO 0.02 -0.03 -0.13 -0.47 0.02 0.00 0.00 176.35 175.76 1ux2 s TYR 113 N 1.27 1.88 -0.46 0.29 5.04 0.79 -0.64 117.35 125.53 1ux2 s TYR 113 Ca 0.03 -0.95 0.06 0.00 -2.44 0.00 0.00 57.07 53.77 1ux2 s TYR 113 Cb -0.14 -1.41 0.22 0.00 0.35 0.00 0.00 41.96 40.98 1ux2 s TYR 113 CO -0.11 -0.54 0.51 -0.12 -1.34 0.00 0.00 175.55 173.95 1ux2 n MET 114 N 4.55 0.94 -2.26 4.97 0.00 -1.26 -0.36 117.12 123.69 1ux2 n MET 114 Ca -0.17 -3.53 -0.38 0.00 -0.00 0.00 0.00 57.70 53.62 1ux2 n MET 114 Cb 0.51 -1.58 -0.02 0.00 0.00 0.00 0.00 33.22 32.13 1ux2 n MET 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ux2 s PRO 115 N -1.07 4.04 -0.06 2.12 0.04 -1.25 -4.75 135.00 134.06 1ux2 s PRO 115 Ca 0.34 1.88 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1ux2 s PRO 115 Cb 0.12 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1ux2 s PRO 115 CO -0.12 -0.34 0.67 0.45 0.04 0.00 0.00 177.00 177.69 1ux2 s SER 116 N -1.08 6.97 -0.05 6.66 0.15 -1.26 -1.52 113.70 123.56 1ux2 s SER 116 Ca 0.57 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.41 1ux2 s SER 116 Cb -0.32 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1ux2 s SER 116 CO 0.40 -0.06 -0.12 -0.63 1.20 0.00 0.00 173.24 174.02 1ux2 s ILE 117 N 0.58 1.10 -0.20 6.45 1.01 -0.06 0.20 121.20 130.28 1ux2 s ILE 117 Ca 0.35 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1ux2 s ILE 117 Cb -0.18 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1ux2 s ILE 117 CO 0.17 0.34 0.06 -0.60 0.00 0.00 0.00 174.94 174.92 1ux2 s ARG 118 N 0.44 3.89 -0.09 2.79 3.52 0.31 -1.23 118.95 128.58 1ux2 s ARG 118 Ca -0.10 -0.38 -0.18 0.00 -0.13 0.00 0.00 55.73 54.94 1ux2 s ARG 118 Cb -0.13 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1ux2 s ARG 118 CO 0.03 0.16 0.43 -1.14 -0.81 0.00 0.00 175.30 173.97 1ux2 s GLN 119 N 0.68 0.67 0.05 5.12 0.74 -0.58 -1.00 119.66 125.34 1ux2 s GLN 119 Ca 0.03 0.23 -0.05 0.00 0.05 0.00 0.00 55.36 55.62 1ux2 s GLN 119 Cb -0.13 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 1ux2 s GLN 119 CO 0.02 -0.16 0.29 1.03 -0.55 0.00 0.00 175.29 175.92 1ux2 s ARG 120 N -0.63 3.57 0.05 1.67 0.52 -1.26 -1.66 118.95 121.21 1ux2 s ARG 120 Ca -0.07 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1ux2 s ARG 120 Cb -0.03 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1ux2 s ARG 120 CO 0.04 0.60 -0.10 -0.06 0.02 0.00 0.00 175.30 175.79 1ux2 s PHE 121 N -1.42 0.85 -0.33 -0.53 0.08 0.64 -1.38 117.98 115.90 1ux2 s PHE 121 Ca 0.32 -0.48 -0.13 0.00 0.12 0.00 0.00 56.93 56.75 1ux2 s PHE 121 Cb -0.13 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 1ux2 s PHE 121 CO 0.20 -0.04 0.28 0.45 -0.10 0.00 0.00 175.22 176.02 1ux2 s SER 122 N -1.62 6.11 0.26 1.36 0.15 -0.59 -0.94 113.70 118.43 1ux2 s SER 122 Ca -0.07 -0.24 -0.21 0.00 0.70 0.00 0.00 55.95 56.13 1ux2 s SER 122 Cb -0.10 -2.16 0.06 0.00 -1.71 0.00 0.00 66.02 62.11 1ux2 s SER 122 CO 0.01 -0.23 0.89 0.00 1.20 0.00 0.00 173.24 175.10 1ux2 s ASP 124 N -3.11 6.12 0.00 0.00 -1.08 -1.26 -4.29 116.67 113.06 1ux2 s ASP 124 Ca 0.16 1.13 0.19 0.00 -0.52 0.00 0.00 52.55 53.51 1ux2 s ASP 124 Cb -0.04 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1ux2 s ASP 124 CO 0.07 -1.55 0.92 0.52 0.52 0.00 0.00 175.17 175.65 1ux2 n VAL 125 N 7.19 0.00 -1.72 1.11 0.31 -1.26 -3.77 118.33 120.19 1ux2 n VAL 125 Ca 0.20 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 1ux2 n VAL 125 Cb 0.47 1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 34.57 1ux2 n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ux2 n SER 126 N -0.34 3.27 0.00 4.52 3.41 -1.26 -2.15 113.62 121.07 1ux2 n SER 126 Ca 0.07 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1ux2 n SER 126 Cb 0.38 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1ux2 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ux2 n GLY 127 N 1.22 0.72 0.35 5.00 0.00 -1.26 -4.14 105.19 107.07 1ux2 n GLY 127 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1ux2 n GLY 127 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ux2 h VAL 128 N 0.00 0.93 -0.94 1.61 3.04 -1.64 -1.54 116.25 117.70 1ux2 h VAL 128 Ca 0.00 -0.16 -0.47 0.00 -1.01 0.00 0.00 66.70 65.06 1ux2 h VAL 128 Cb 0.00 0.42 -0.28 0.00 -2.01 0.00 0.00 31.29 29.42 1ux2 h VAL 128 CO 0.00 0.08 0.59 -0.67 -1.01 0.00 0.00 177.57 176.57 1ux2 n ASP 129 N -4.47 3.90 -4.70 3.17 2.03 -1.26 -0.95 116.55 114.26 1ux2 n ASP 129 Ca 0.09 -3.52 -0.27 0.00 0.52 0.00 0.00 54.79 51.61 1ux2 n ASP 129 Cb 0.33 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 39.82 1ux2 n ASP 129 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ux2 s THR 130 N -3.19 2.01 0.29 5.18 -4.23 -0.59 -4.98 115.64 110.13 1ux2 s THR 130 Ca 0.56 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1ux2 s THR 130 Cb 0.46 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1ux2 s THR 130 CO 0.11 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.60 1ux2 h GLU 131 N 1.54 0.49 -0.05 3.99 5.08 -1.92 -2.85 114.58 120.87 1ux2 h GLU 131 Ca -0.43 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 57.63 1ux2 h GLU 131 Cb 1.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ux2 h GLU 131 CO 0.75 0.68 -0.55 0.77 -1.00 0.00 0.00 179.01 179.66 1ux2 h SER 132 N 0.44 0.15 -4.14 1.42 0.02 -1.97 -3.49 113.55 105.98 1ux2 h SER 132 Ca 0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ux2 h SER 132 Cb 0.62 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ux2 h SER 132 CO 0.04 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 1ux2 n GLY 133 N 0.10 -1.06 3.92 -3.77 0.00 -1.08 -4.83 105.19 98.48 1ux2 n GLY 133 Ca -0.02 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1ux2 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ux2 s ALA 134 N -1.07 3.87 -0.31 4.61 0.00 0.92 -4.42 121.76 125.36 1ux2 s ALA 134 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1ux2 s ALA 134 Cb 0.00 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.23 1ux2 s ALA 134 CO 0.00 0.56 -0.00 0.99 0.00 0.00 0.00 175.76 177.31 1ux2 s THR 135 N -1.75 2.41 -0.24 0.00 2.01 -1.25 -1.15 115.64 115.66 1ux2 s THR 135 Ca 0.38 -1.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.32 1ux2 s THR 135 Cb -0.12 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1ux2 s THR 135 CO 0.28 -0.33 0.26 0.00 -0.69 0.00 0.00 174.62 174.14 1ux2 s ARG 137 N 1.45 3.92 -0.18 0.00 0.52 -1.26 0.04 118.95 123.44 1ux2 s ARG 137 Ca 0.12 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1ux2 s ARG 137 Cb -0.15 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 32.10 1ux2 s ARG 137 CO 0.08 0.20 -0.16 0.42 0.02 0.00 0.00 175.30 175.85 1ux2 s ILE 138 N 0.58 2.43 -0.23 1.52 1.01 0.87 -4.86 121.20 122.51 1ux2 s ILE 138 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1ux2 s ILE 138 Cb -0.13 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1ux2 s ILE 138 CO 0.01 0.51 0.11 -0.54 0.00 0.00 0.00 174.94 175.04 1ux2 s LYS 139 N 1.20 3.91 -0.13 2.79 1.02 -1.26 -0.30 119.74 126.97 1ux2 s LYS 139 Ca 0.02 -0.35 0.03 0.00 0.02 0.00 0.00 55.97 55.68 1ux2 s LYS 139 Cb -0.14 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1ux2 s LYS 139 CO -0.08 0.01 -0.22 0.42 -0.92 0.00 0.00 175.35 174.57 1ux2 s ILE 140 N 1.14 2.17 0.24 2.17 1.01 0.33 0.45 121.20 128.71 1ux2 s ILE 140 Ca 0.06 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 1ux2 s ILE 140 Cb -0.14 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1ux2 s ILE 140 CO 0.04 0.55 0.51 -0.83 0.00 0.00 0.00 174.94 175.21 1ux2 s GLY 141 N 0.62 0.32 0.16 6.18 0.00 -0.88 -0.87 107.32 112.84 1ux2 s GLY 141 Ca -0.11 -0.67 -0.32 0.00 0.00 0.00 0.00 44.72 43.62 1ux2 s GLY 141 CO 0.03 -0.49 1.59 -0.45 0.00 0.00 0.00 173.10 173.78 1ux2 s SER 142 N -2.97 6.57 0.21 1.64 0.15 -1.26 -0.78 113.70 117.26 1ux2 s SER 142 Ca 0.18 2.63 -0.04 0.00 0.70 0.00 0.00 55.95 59.42 1ux2 s SER 142 Cb -0.01 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.87 1ux2 s SER 142 CO 0.06 -0.84 1.58 -0.25 1.20 0.00 0.00 173.24 174.99 1ux2 h TRP 143 N 6.95 0.81 0.00 3.44 2.91 -1.22 -3.38 115.95 125.46 1ux2 h TRP 143 Ca -0.43 -0.22 0.00 0.00 1.13 0.00 0.00 58.89 59.37 1ux2 h TRP 143 Cb 1.20 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1ux2 h TRP 143 CO 0.66 0.94 0.00 0.25 -1.03 0.00 0.00 178.44 179.26 1ux2 n THR 144 N -4.06 0.00 -3.88 2.65 -2.24 -1.26 -5.01 114.28 100.47 1ux2 n THR 144 Ca -0.01 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 1ux2 n THR 144 Cb 0.50 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 1ux2 n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ux2 s HIS 145 N -0.51 3.18 0.95 4.78 3.76 -1.26 -5.10 115.29 121.09 1ux2 s HIS 145 Ca 0.00 -0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.66 1ux2 s HIS 145 Cb 0.00 -2.17 0.20 0.00 1.11 0.00 0.00 32.58 31.72 1ux2 s HIS 145 CO 0.00 -0.07 1.30 -3.38 -0.85 0.00 0.00 174.74 171.74 1ux2 s HIS 146 N 0.98 1.54 0.60 1.40 -3.43 -1.26 -4.58 115.29 110.54 1ux2 s HIS 146 Ca 0.04 0.25 0.39 0.00 -0.80 0.00 0.00 55.06 54.94 1ux2 s HIS 146 Cb -0.14 -4.05 2.14 0.00 -1.43 0.00 0.00 32.58 29.11 1ux2 s HIS 146 CO 0.03 -2.61 2.30 0.66 -2.00 0.00 0.00 174.74 173.13 1ux2 h SER 147 N -1.57 0.00 1.05 7.38 4.64 -0.60 0.57 113.55 125.02 1ux2 h SER 147 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ux2 h SER 147 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ux2 h SER 147 CO 0.37 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.88 1ux2 n ARG 148 N -3.36 0.07 -0.05 4.77 1.74 -1.26 -4.17 116.66 114.40 1ux2 n ARG 148 Ca -0.03 0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 1ux2 n ARG 148 Cb 0.09 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 1ux2 n ARG 148 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ux2 n GLU 149 N -1.71 0.31 -4.02 5.56 1.02 0.07 -3.08 120.64 118.79 1ux2 n GLU 149 Ca 0.06 0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 57.02 1ux2 n GLU 149 Cb 0.34 -1.22 -0.17 0.00 -0.02 0.00 0.00 31.44 30.37 1ux2 n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ux2 s ILE 150 N -2.22 0.75 -0.10 -3.67 1.01 -0.49 -0.60 121.20 115.88 1ux2 s ILE 150 Ca -0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1ux2 s ILE 150 Cb 0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1ux2 s ILE 150 CO 0.25 0.30 0.09 -0.94 0.00 0.00 0.00 174.94 174.65 1ux2 s SER 151 N 1.46 5.97 -0.16 3.58 1.04 -0.51 -3.95 113.70 121.12 1ux2 s SER 151 Ca -0.01 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.77 1ux2 s SER 151 Cb -0.13 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.15 1ux2 s SER 151 CO -0.04 0.39 -0.19 -0.69 0.98 0.00 0.00 173.24 173.68 1ux2 s VAL 152 N -1.00 2.22 0.00 5.02 1.01 -1.26 -0.82 120.40 125.57 1ux2 s VAL 152 Ca 0.15 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1ux2 s VAL 152 Cb -0.12 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1ux2 s VAL 152 CO 0.04 0.53 -0.18 -1.81 0.00 0.00 0.00 175.10 173.69 1ux2 s ASP 153 N 1.02 2.17 0.26 3.32 1.01 -0.05 -4.69 116.67 119.71 1ux2 s ASP 153 Ca -0.02 -0.38 -0.30 0.00 0.71 0.00 0.00 52.55 52.57 1ux2 s ASP 153 Cb -0.15 -0.22 -0.09 0.00 1.01 0.00 0.00 42.92 43.47 1ux2 s ASP 153 CO -0.06 0.20 1.24 -2.16 0.21 0.00 0.00 175.17 174.59 1ux2 s PRO 154 N -0.64 4.46 1.24 8.23 0.04 -1.26 -0.50 135.00 146.57 1ux2 s PRO 154 Ca 0.07 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 1ux2 s PRO 154 Cb -0.07 -3.16 0.30 0.00 0.04 0.00 0.00 34.50 31.60 1ux2 s PRO 154 CO -0.00 -0.09 1.06 0.99 0.04 0.00 0.00 177.00 179.01 1ux2 s THR 155 N -0.61 1.56 0.10 1.26 2.01 -1.14 -4.83 115.64 113.99 1ux2 s THR 155 Ca 0.51 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 1ux2 s THR 155 Cb -0.36 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 1ux2 s THR 155 CO 0.43 0.00 1.57 0.42 -0.69 0.00 0.00 174.62 176.35 1ux2 s THR 156 N -2.81 2.98 -0.36 -0.82 -4.23 -1.26 -4.98 115.64 104.16 1ux2 s THR 156 Ca 0.70 0.58 -0.26 0.00 -1.18 0.00 0.00 61.69 61.53 1ux2 s THR 156 Cb -0.12 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.36 1ux2 s THR 156 CO 0.57 0.02 0.91 -0.70 -0.54 0.00 0.00 174.62 174.88 1ux2 s GLU 157 N 1.91 3.85 -0.03 3.99 2.12 -1.26 -4.89 118.70 124.39 1ux2 s GLU 157 Ca 0.71 0.57 0.02 0.00 0.36 0.00 0.00 54.97 56.63 1ux2 s GLU 157 Cb -0.40 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.16 1ux2 s GLU 157 CO 0.31 -0.92 0.00 0.27 -0.54 0.00 0.00 175.26 174.38 1ux2 n ASN 158 N 6.71 4.17 -0.95 -1.70 6.94 -1.26 -5.12 115.26 124.05 1ux2 n ASN 158 Ca 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1ux2 n ASN 158 Cb 0.48 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 1ux2 n ASN 158 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ux2 n SER 159 N -2.21 0.39 -4.77 0.53 3.41 -1.26 -5.10 113.62 104.61 1ux2 n SER 159 Ca -0.05 -0.47 -0.38 0.00 -0.26 0.00 0.00 58.87 57.71 1ux2 n SER 159 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1ux2 n SER 159 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ux2 s ASP 160 N -0.79 6.78 0.42 4.04 3.68 -1.26 -4.97 116.67 124.56 1ux2 s ASP 160 Ca 0.00 2.16 0.23 0.00 2.13 0.00 0.00 52.55 57.07 1ux2 s ASP 160 Cb 0.00 -2.60 0.30 0.00 -1.45 0.00 0.00 42.92 39.17 1ux2 s ASP 160 CO 0.00 -0.48 1.56 0.44 0.13 0.00 0.00 175.17 176.82 1ux2 h ASP 161 N 2.77 0.00 -0.46 -0.34 3.32 -1.98 -2.91 116.42 116.82 1ux2 h ASP 161 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ux2 h ASP 161 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ux2 h ASP 161 CO 0.63 0.01 0.00 -1.20 -1.72 0.00 0.00 179.24 176.96 1ux2 n SER 162 N -3.07 4.86 -0.27 6.45 7.64 -1.26 -4.66 113.62 123.32 1ux2 n SER 162 Ca 0.04 -2.89 -0.02 0.00 1.01 0.00 0.00 58.87 57.01 1ux2 n SER 162 Cb 0.54 -0.61 0.10 0.00 -1.01 0.00 0.00 64.21 63.23 1ux2 n SER 162 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ux2 h GLU 163 N 3.12 0.87 -0.34 1.43 4.81 -1.87 -2.75 114.58 119.85 1ux2 h GLU 163 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ux2 h GLU 163 Cb 1.69 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1ux2 h GLU 163 CO 0.35 0.58 0.00 0.66 -0.73 0.00 0.00 179.01 179.87 1ux2 n TYR 164 N -4.65 0.46 -2.63 0.92 4.01 -1.26 -5.00 117.16 109.00 1ux2 n TYR 164 Ca 0.09 -0.46 -0.41 0.00 -0.16 0.00 0.00 57.90 56.96 1ux2 n TYR 164 Cb 0.11 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 1ux2 n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1ux2 s PHE 165 N -1.00 3.74 0.12 -0.72 5.36 -1.04 -4.53 117.98 119.92 1ux2 s PHE 165 Ca 0.24 1.73 -0.32 0.00 -0.96 0.00 0.00 56.93 57.62 1ux2 s PHE 165 Cb 0.13 -3.14 -0.12 0.00 -0.34 0.00 0.00 43.02 39.54 1ux2 s PHE 165 CO 0.17 -0.12 1.75 0.45 -1.46 0.00 0.00 175.22 176.01 1ux2 n SER 166 N 2.36 3.70 0.00 6.13 2.88 0.11 -4.88 113.62 123.92 1ux2 n SER 166 Ca 0.02 1.03 0.08 0.00 -1.33 0.00 0.00 58.87 58.67 1ux2 n SER 166 Cb 0.47 -1.50 0.37 0.00 -0.75 0.00 0.00 64.21 62.80 1ux2 n SER 166 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ux2 n GLN 167 N 4.83 0.00 0.00 -1.46 10.64 -1.26 -3.17 117.38 126.96 1ux2 n GLN 167 Ca 0.18 0.20 0.10 0.00 -1.83 0.00 0.00 57.00 55.65 1ux2 n GLN 167 Cb 0.34 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.19 1ux2 n GLN 167 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ux2 n TYR 168 N -1.50 0.00 -1.68 2.61 4.01 -1.26 -4.95 117.16 114.39 1ux2 n TYR 168 Ca 0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 1ux2 n TYR 168 Cb 0.20 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.28 1ux2 n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ux2 n SER 169 N -0.34 1.85 0.24 7.72 2.88 -1.19 -4.88 113.62 119.90 1ux2 n SER 169 Ca 0.08 0.92 0.16 0.00 -1.33 0.00 0.00 58.87 58.70 1ux2 n SER 169 Cb 0.41 -1.49 0.74 0.00 -0.75 0.00 0.00 64.21 63.13 1ux2 n SER 169 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ux2 h ARG 170 N 1.06 0.00 -6.07 -1.46 3.08 -1.93 -3.45 114.38 105.61 1ux2 h ARG 170 Ca -0.49 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.01 1ux2 h ARG 170 Cb 1.33 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.31 1ux2 h ARG 170 CO 0.55 0.00 -0.52 -0.06 -1.07 0.00 0.00 179.97 178.86 1ux2 s PHE 171 N -3.67 2.69 0.04 3.04 0.08 -1.26 -1.40 117.98 117.50 1ux2 s PHE 171 Ca 0.00 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1ux2 s PHE 171 Cb 0.10 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.81 1ux2 s PHE 171 CO 0.43 0.30 -0.08 -1.83 -0.10 0.00 0.00 175.22 173.94 1ux2 s GLU 172 N -3.87 0.54 -0.14 0.44 -1.05 0.05 -4.80 118.70 109.88 1ux2 s GLU 172 Ca 0.39 -0.75 -0.19 0.00 -0.15 0.00 0.00 54.97 54.26 1ux2 s GLU 172 Cb -0.02 -0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.31 1ux2 s GLU 172 CO 0.23 0.06 0.54 0.42 0.95 0.00 0.00 175.26 177.45 1ux2 s ILE 173 N -1.33 5.13 -0.17 1.83 1.01 -1.26 -1.59 121.20 124.82 1ux2 s ILE 173 Ca -0.09 1.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.52 1ux2 s ILE 173 Cb -0.10 -3.87 -0.22 0.00 0.01 0.00 0.00 42.46 38.28 1ux2 s ILE 173 CO 0.00 0.25 0.18 0.18 0.00 0.00 0.00 174.94 175.56 1ux2 n LEU 174 N 4.13 2.52 -3.59 2.97 4.77 0.99 -4.91 117.00 123.87 1ux2 n LEU 174 Ca -0.05 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1ux2 n LEU 174 Cb 0.51 -1.04 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 1ux2 n LEU 174 CO 0.43 0.75 0.45 -0.62 -1.33 0.00 0.00 177.39 177.08 1ux2 s ASP 175 N -6.95 -0.69 -0.17 -1.43 -1.08 -1.00 -5.02 116.67 100.33 1ux2 s ASP 175 Ca -0.27 1.15 0.01 0.00 -0.52 0.00 0.00 52.55 52.92 1ux2 s ASP 175 Cb 0.07 1.10 0.03 0.00 -1.46 0.00 0.00 42.92 42.67 1ux2 s ASP 175 CO 0.69 -0.36 -0.14 -0.69 0.52 0.00 0.00 175.17 175.18 1ux2 s VAL 176 N -0.18 1.72 0.03 1.11 1.01 -1.26 -1.21 120.40 121.63 1ux2 s VAL 176 Ca -0.03 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1ux2 s VAL 176 Cb -0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1ux2 s VAL 176 CO 0.04 0.39 -0.25 0.42 0.00 0.00 0.00 175.10 175.70 1ux2 s THR 177 N 1.41 2.02 -0.11 3.92 -4.23 -0.91 -5.00 115.64 112.75 1ux2 s THR 177 Ca 0.03 -1.30 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 1ux2 s THR 177 Cb -0.14 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.99 1ux2 s THR 177 CO -0.10 0.37 -0.15 -1.10 -0.54 0.00 0.00 174.62 173.10 1ux2 s GLN 178 N -1.11 2.18 0.13 3.99 -0.21 -1.26 -1.03 119.66 122.34 1ux2 s GLN 178 Ca 0.11 -0.55 0.03 0.00 0.02 0.00 0.00 55.36 54.97 1ux2 s GLN 178 Cb -0.10 -1.85 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1ux2 s GLN 178 CO 0.01 -0.06 -0.07 -1.59 -2.12 0.00 0.00 175.29 171.46 1ux2 s LYS 179 N 0.97 0.96 -0.31 2.91 -2.85 -0.43 -4.94 119.74 116.05 1ux2 s LYS 179 Ca -0.07 -1.41 -0.03 0.00 -1.00 0.00 0.00 55.97 53.47 1ux2 s LYS 179 Cb -0.15 -0.39 0.05 0.00 -2.06 0.00 0.00 37.83 35.28 1ux2 s LYS 179 CO -0.01 0.01 0.03 0.21 0.10 0.00 0.00 175.35 175.69 1ux2 s LYS 180 N -3.81 2.43 0.30 1.78 2.36 -1.26 0.19 119.74 121.73 1ux2 s LYS 180 Ca 0.15 -1.29 -0.01 0.00 -2.55 0.00 0.00 55.97 52.28 1ux2 s LYS 180 Cb 0.04 -3.25 -0.04 0.00 -1.05 0.00 0.00 37.83 33.53 1ux2 s LYS 180 CO -0.02 -0.66 0.51 -0.80 1.55 0.00 0.00 175.35 175.94 1ux2 s ASN 181 N 1.31 6.35 -0.38 1.43 0.01 -0.88 -5.01 114.94 117.77 1ux2 s ASN 181 Ca -0.04 0.48 0.01 0.00 -0.71 0.00 0.00 52.86 52.60 1ux2 s ASN 181 Cb -0.20 -2.04 0.12 0.00 0.41 0.00 0.00 41.25 39.54 1ux2 s ASN 181 CO -0.01 -0.21 0.18 -0.94 -1.51 0.00 0.00 177.10 174.62 1ux2 s SER 182 N -3.65 3.72 -0.03 -1.22 1.04 -1.26 -3.18 113.70 109.11 1ux2 s SER 182 Ca 0.40 -2.21 0.02 0.00 0.48 0.00 0.00 55.95 54.63 1ux2 s SER 182 Cb -0.10 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.08 1ux2 s SER 182 CO 0.33 -0.33 -0.05 -0.69 0.98 0.00 0.00 173.24 173.48 1ux2 s VAL 183 N 0.90 3.80 -0.24 5.02 1.01 -1.16 -4.99 120.40 124.73 1ux2 s VAL 183 Ca 0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ux2 s VAL 183 Cb -0.22 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1ux2 s VAL 183 CO -0.09 0.49 -0.05 -0.89 0.00 0.00 0.00 175.10 174.56 1ux2 s THR 184 N -0.93 3.11 0.43 3.92 2.01 -1.26 -1.88 115.64 121.05 1ux2 s THR 184 Ca 0.15 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1ux2 s THR 184 Cb -0.11 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1ux2 s THR 184 CO 0.05 0.28 0.55 -0.31 -0.69 0.00 0.00 174.62 174.50 1ux2 s TYR 185 N 1.39 2.65 -0.59 4.92 2.02 -1.26 -5.03 117.35 121.46 1ux2 s TYR 185 Ca 0.03 -0.45 0.24 0.00 -0.37 0.00 0.00 57.07 56.52 1ux2 s TYR 185 Cb -0.16 -2.32 0.92 0.00 -0.40 0.00 0.00 41.96 40.00 1ux2 s TYR 185 CO -0.04 -0.43 1.73 0.45 -1.57 0.00 0.00 175.55 175.69 1ux2 n SER 186 N -1.83 0.69 -0.07 2.29 2.88 -1.26 -3.31 113.62 113.01 1ux2 n SER 186 Ca 0.08 0.63 -0.14 0.00 -1.33 0.00 0.00 58.87 58.11 1ux2 n SER 186 Cb 0.60 -0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 63.21 1ux2 n SER 186 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ux2 n PRO 189 N 4.27 0.28 -4.06 0.00 -0.02 -1.26 -4.36 135.00 129.86 1ux2 n PRO 189 Ca -0.25 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 60.96 1ux2 n PRO 189 Cb 0.51 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1ux2 n PRO 189 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ux2 s GLU 190 N -2.00 2.26 -0.12 -0.52 2.02 -1.26 -5.05 118.70 114.03 1ux2 s GLU 190 Ca 0.12 -2.02 -0.02 0.00 0.02 0.00 0.00 54.97 53.07 1ux2 s GLU 190 Cb 0.06 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1ux2 s GLU 190 CO 0.09 -0.45 -0.03 0.00 0.02 0.00 0.00 175.26 174.89 1ux2 s ALA 191 N -2.74 3.10 -0.14 5.21 0.00 -1.26 -4.39 121.76 121.55 1ux2 s ALA 191 Ca 0.31 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1ux2 s ALA 191 Cb -0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1ux2 s ALA 191 CO 0.19 0.39 -0.05 0.71 0.00 0.00 0.00 175.76 176.99 1ux2 s TYR 192 N -0.22 2.98 0.12 0.00 2.02 -0.79 -0.07 117.35 121.40 1ux2 s TYR 192 Ca 0.04 -0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.32 1ux2 s TYR 192 Cb -0.13 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.47 1ux2 s TYR 192 CO 0.02 0.01 0.51 -1.21 -1.57 0.00 0.00 175.55 173.32 1ux2 s GLU 193 N 0.15 3.95 0.04 -0.62 2.02 -1.26 -3.01 118.70 119.96 1ux2 s GLU 193 Ca -0.02 0.45 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 1ux2 s GLU 193 Cb -0.14 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 1ux2 s GLU 193 CO 0.03 0.52 0.00 0.16 0.02 0.00 0.00 175.26 176.00 1ux2 s ASP 194 N -1.63 0.31 -0.19 -0.19 -4.77 -1.19 -4.09 116.67 104.93 1ux2 s ASP 194 Ca 0.35 -0.69 -0.11 0.00 -3.30 0.00 0.00 52.55 48.80 1ux2 s ASP 194 Cb -0.15 0.17 -0.05 0.00 -1.09 0.00 0.00 42.92 41.80 1ux2 s ASP 194 CO 0.19 -0.46 0.19 -0.69 0.70 0.00 0.00 175.17 175.09 1ux2 s VAL 195 N -2.66 5.38 -0.28 2.11 1.01 -0.05 -2.08 120.40 123.83 1ux2 s VAL 195 Ca -0.05 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 1ux2 s VAL 195 Cb -0.01 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1ux2 s VAL 195 CO -0.05 0.42 0.11 -0.70 0.00 0.00 0.00 175.10 174.88 1ux2 s GLU 196 N 0.39 3.49 -0.25 2.72 2.12 0.13 -0.51 118.70 126.79 1ux2 s GLU 196 Ca 0.11 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.72 1ux2 s GLU 196 Cb -0.12 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 1ux2 s GLU 196 CO -0.00 -0.31 0.20 0.08 -0.54 0.00 0.00 175.26 174.69 1ux2 s VAL 197 N 1.61 5.32 -0.37 3.70 1.01 0.59 -1.31 120.40 130.96 1ux2 s VAL 197 Ca 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1ux2 s VAL 197 Cb -0.16 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1ux2 s VAL 197 CO 0.05 0.30 0.21 -0.44 0.00 0.00 0.00 175.10 175.22 1ux2 s SER 198 N 1.24 5.75 -0.47 3.32 0.01 -0.20 -0.09 113.70 123.26 1ux2 s SER 198 Ca 0.09 -0.89 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 1ux2 s SER 198 Cb -0.14 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.11 1ux2 s SER 198 CO 0.07 -0.36 0.42 -0.22 0.41 0.00 0.00 173.24 173.56 1ux2 s LEU 199 N 1.58 5.41 -0.36 2.44 2.96 0.11 -2.15 118.68 128.67 1ux2 s LEU 199 Ca 0.03 -1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 52.58 1ux2 s LEU 199 Cb -0.19 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1ux2 s LEU 199 CO 0.07 -0.65 0.59 0.21 -1.32 0.00 0.00 176.35 175.25 1ux2 s ASN 200 N 2.43 6.37 0.11 3.68 2.47 -0.35 -0.48 114.94 129.18 1ux2 s ASN 200 Ca 0.06 0.03 -0.04 0.00 0.42 0.00 0.00 52.86 53.33 1ux2 s ASN 200 Cb -0.22 -2.30 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1ux2 s ASN 200 CO 0.08 -0.56 0.11 0.72 -3.72 0.00 0.00 177.10 173.73 1ux2 s PHE 201 N 2.59 0.51 0.06 0.43 -0.12 -0.30 -0.01 117.98 121.14 1ux2 s PHE 201 Ca 0.22 -0.95 -0.11 0.00 -0.05 0.00 0.00 56.93 56.05 1ux2 s PHE 201 Cb -0.15 -0.27 0.01 0.00 -0.63 0.00 0.00 43.02 41.98 1ux2 s PHE 201 CO 0.15 -0.53 0.23 -0.98 -0.05 0.00 0.00 175.22 174.04 1ux2 s ARG 202 N -3.96 0.79 0.29 1.99 1.70 -0.62 -0.05 118.95 119.10 1ux2 s ARG 202 Ca 0.14 -0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1ux2 s ARG 202 Cb 0.06 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 1ux2 s ARG 202 CO -0.05 -0.25 1.41 0.21 -1.08 0.00 0.00 175.30 175.55 1ux2 s LYS 203 N -3.04 4.27 0.45 3.89 2.20 -0.13 -0.77 119.74 126.62 1ux2 s LYS 203 Ca -0.01 2.32 -0.24 0.00 -0.36 0.00 0.00 55.97 57.68 1ux2 s LYS 203 Cb 0.01 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1ux2 s LYS 203 CO -0.06 -0.37 1.24 0.15 -0.36 0.00 0.00 175.35 175.95 1ux2 s LYS 204 N -1.01 3.73 0.00 4.03 1.02 -0.49 -4.84 119.74 122.18 1ux2 s LYS 204 Ca 0.56 1.99 0.28 0.00 0.02 0.00 0.00 55.97 58.81 1ux2 s LYS 204 Cb -0.42 -2.51 0.95 0.00 -0.52 0.00 0.00 37.83 35.33 1ux2 s LYS 204 CO 0.49 -0.64 1.69 0.41 -0.92 0.00 0.00 175.35 176.38