#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxu s LYS 2 N 0.00 4.57 0.89 4.33 1.02 -1.26 -5.05 119.74 124.24 3hxu s LYS 2 Ca 0.00 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.60 3hxu s LYS 2 Cb 0.00 -3.07 0.13 0.00 -0.52 0.00 0.00 37.83 34.36 3hxu s LYS 2 CO 0.00 0.17 1.11 -1.54 -0.92 0.00 0.00 175.35 174.16 3hxu s SER 3 N -1.03 3.62 0.24 2.83 1.04 -1.26 -4.78 113.70 114.37 3hxu s SER 3 Ca 0.47 1.22 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 3hxu s SER 3 Cb -0.30 -1.88 0.29 0.00 0.10 0.00 0.00 66.02 64.23 3hxu s SER 3 CO 0.38 -2.51 1.90 0.74 0.98 0.00 0.00 173.24 174.72 3hxu h THR 4 N -1.47 1.17 -0.82 2.02 2.02 -1.96 -1.26 112.91 112.62 3hxu h THR 4 Ca -0.50 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 3hxu h THR 4 Cb 1.30 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3hxu h THR 4 CO 0.59 0.22 0.34 0.00 0.37 0.00 0.00 175.52 177.04 3hxu h ALA 5 N 1.38 1.06 -0.23 6.16 0.00 -1.92 -1.03 119.26 124.68 3hxu h ALA 5 Ca 0.37 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3hxu h ALA 5 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3hxu h ALA 5 CO -0.11 0.67 -0.39 0.93 0.00 0.00 0.00 179.25 180.35 3hxu h GLU 6 N 1.18 0.51 -0.20 0.00 5.08 -1.80 -1.98 114.58 117.37 3hxu h GLU 6 Ca 0.27 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3hxu h GLU 6 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hxu h GLU 6 CO -0.03 0.82 -0.06 0.82 -1.00 0.00 0.00 179.01 179.57 3hxu h ILE 7 N 0.43 1.29 -0.52 3.13 2.04 -0.97 0.04 117.51 122.95 3hxu h ILE 7 Ca 0.04 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 64.93 3hxu h ILE 7 Cb 0.87 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 3hxu h ILE 7 CO 0.07 0.32 0.14 -0.09 0.00 0.00 0.00 178.15 178.60 3hxu h ARG 8 N 0.11 0.29 -0.37 2.37 2.43 -1.12 -1.47 114.38 116.63 3hxu h ARG 8 Ca 0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3hxu h ARG 8 Cb 0.51 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hxu h ARG 8 CO 0.02 0.19 -0.38 0.37 -1.51 0.00 0.00 179.97 178.66 3hxu h GLN 9 N 0.30 0.88 -0.62 0.20 5.75 -1.24 -2.79 115.11 117.59 3hxu h GLN 9 Ca 0.26 -0.45 -0.08 0.00 -0.15 0.00 0.00 58.65 58.22 3hxu h GLN 9 Cb 0.32 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3hxu h GLN 9 CO -0.30 1.10 0.06 0.00 -2.65 0.00 0.00 178.83 177.04 3hxu h ALA 10 N 0.84 0.94 -0.23 3.38 0.00 -0.71 0.13 119.26 123.62 3hxu h ALA 10 Ca 0.06 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hxu h ALA 10 Cb 0.96 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3hxu h ALA 10 CO 0.09 0.65 0.11 0.35 0.00 0.00 0.00 179.25 180.45 3hxu h PHE 11 N 0.96 0.20 -0.49 0.00 3.57 -1.23 -0.32 116.94 119.63 3hxu h PHE 11 Ca 0.18 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 3hxu h PHE 11 Cb 0.48 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3hxu h PHE 11 CO 0.03 0.11 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.97 3hxu h LEU 12 N 0.23 0.99 -0.74 0.59 3.38 -1.20 -2.65 115.31 115.91 3hxu h LEU 12 Ca 0.09 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hxu h LEU 12 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3hxu h LEU 12 CO -0.07 1.14 0.47 0.44 0.09 0.00 0.00 178.44 180.51 3hxu h ASP 13 N 0.85 0.87 0.17 -0.43 3.32 -0.61 -0.64 116.42 119.96 3hxu h ASP 13 Ca 0.12 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hxu h ASP 13 Cb 0.75 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3hxu h ASP 13 CO 0.06 0.65 -0.20 0.15 -1.72 0.00 0.00 179.24 178.19 3hxu h PHE 14 N 1.00 -0.52 -0.12 4.55 3.57 -0.83 -0.34 116.94 124.26 3hxu h PHE 14 Ca 0.27 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 3hxu h PHE 14 Cb -0.07 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3hxu h PHE 14 CO -0.02 -0.29 -0.50 0.74 -2.23 0.00 0.00 178.31 176.01 3hxu h PHE 15 N -0.41 0.39 -0.72 0.41 0.04 -1.35 -2.36 116.94 112.93 3hxu h PHE 15 Ca 0.01 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.66 3hxu h PHE 15 Cb 0.40 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3hxu h PHE 15 CO -0.16 0.76 0.47 1.25 -0.60 0.00 0.00 178.31 180.03 3hxu h HIS 16 N 0.25 0.91 0.00 -0.55 2.76 -1.01 -0.16 115.15 117.36 3hxu h HIS 16 Ca 0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3hxu h HIS 16 Cb 0.97 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.63 3hxu h HIS 16 CO 0.02 0.58 0.00 0.66 -1.30 0.00 0.00 177.93 177.89 3hxu h SER 17 N 0.98 0.00 -0.66 3.26 4.64 -0.65 -1.18 113.55 119.93 3hxu h SER 17 Ca 0.26 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3hxu h SER 17 Cb -0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 3hxu h SER 17 CO -0.06 0.00 0.15 0.29 -0.87 0.00 0.00 176.83 176.34 3hxu n LYS 18 N -2.83 4.26 -0.84 4.77 4.76 -0.39 -4.92 118.16 122.96 3hxu n LYS 18 Ca -0.01 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 3hxu n LYS 18 Cb 0.17 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 3hxu n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxu n GLY 19 N 0.22 0.57 3.74 0.72 0.00 -0.45 -5.03 105.19 104.97 3hxu n GLY 19 Ca 0.34 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 3hxu n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxu s HIS 20 N -2.00 3.67 -0.01 1.61 3.76 -0.21 -4.81 115.29 117.29 3hxu s HIS 20 Ca 0.00 1.37 -0.30 0.00 -0.15 0.00 0.00 55.06 55.98 3hxu s HIS 20 Cb 0.00 -2.80 -0.06 0.00 1.11 0.00 0.00 32.58 30.84 3hxu s HIS 20 CO 0.00 0.21 1.49 -1.14 -0.85 0.00 0.00 174.74 174.45 3hxu s GLN 21 N 0.26 4.24 -0.17 1.40 2.00 -0.50 -4.06 119.66 122.83 3hxu s GLN 21 Ca 0.38 2.05 -0.29 0.00 -2.00 0.00 0.00 55.36 55.49 3hxu s GLN 21 Cb -0.19 -3.68 -0.01 0.00 0.80 0.00 0.00 33.01 29.92 3hxu s GLN 21 CO 0.21 -0.67 1.19 0.08 -0.50 0.00 0.00 175.29 175.59 3hxu s VAL 22 N 2.89 4.40 -0.01 1.34 1.01 -1.26 -1.08 120.40 127.69 3hxu s VAL 22 Ca 0.67 1.70 0.06 0.00 0.00 0.00 0.00 61.98 64.41 3hxu s VAL 22 Cb -0.32 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3hxu s VAL 22 CO 0.27 -0.13 -0.21 -0.69 0.00 0.00 0.00 175.10 174.34 3hxu s VAL 23 N 3.24 2.53 0.51 2.92 1.01 -0.60 -4.95 120.40 125.07 3hxu s VAL 23 Ca 0.52 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 3hxu s VAL 23 Cb -0.20 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 3hxu s VAL 23 CO 0.13 0.52 1.21 0.00 0.00 0.00 0.00 175.10 176.96 3hxu s ALA 24 N -0.72 2.82 0.29 5.51 0.00 -1.26 -4.44 121.76 123.96 3hxu s ALA 24 Ca 0.11 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3hxu s ALA 24 Cb -0.10 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3hxu s ALA 24 CO 0.01 -0.91 1.15 0.45 0.00 0.00 0.00 175.76 176.46 3hxu n SER 25 N -0.92 1.89 -4.77 0.00 2.88 -1.26 -4.96 113.62 106.48 3hxu n SER 25 Ca 0.10 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.53 3hxu n SER 25 Cb 0.48 -1.35 0.12 0.00 -0.75 0.00 0.00 64.21 62.71 3hxu n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hxu s SER 26 N -0.34 3.89 0.95 -3.46 1.04 -1.26 -5.01 113.70 109.51 3hxu s SER 26 Ca 0.60 0.81 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 3hxu s SER 26 Cb -0.67 -1.30 0.16 0.00 0.10 0.00 0.00 66.02 64.31 3hxu s SER 26 CO 0.59 -2.30 1.09 -0.55 0.98 0.00 0.00 173.24 173.05 3hxu s SER 27 N -4.35 2.86 0.07 7.02 0.15 -1.26 -4.66 113.70 113.52 3hxu s SER 27 Ca 0.64 1.76 0.24 0.00 0.70 0.00 0.00 55.95 59.29 3hxu s SER 27 Cb -0.12 -2.37 0.97 0.00 -1.71 0.00 0.00 66.02 62.79 3hxu s SER 27 CO 0.51 -3.07 1.75 0.18 1.20 0.00 0.00 173.24 173.82 3hxu n LEU 28 N -4.18 0.22 -4.05 3.45 4.77 -1.26 -4.70 117.00 111.25 3hxu n LEU 28 Ca 0.08 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 56.28 3hxu n LEU 28 Cb 0.54 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 3hxu n LEU 28 CO 0.54 -0.16 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.27 3hxu s VAL 29 N -3.05 1.89 0.43 4.08 1.01 -1.26 -0.95 120.40 122.54 3hxu s VAL 29 Ca 0.10 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 3hxu s VAL 29 Cb 0.14 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 3hxu s VAL 29 CO 0.45 0.21 1.06 -2.16 0.00 0.00 0.00 175.10 174.66 3hxu s PRO 30 N 1.29 4.03 -0.10 2.72 0.04 -1.26 -4.96 135.00 136.76 3hxu s PRO 30 Ca -0.02 1.51 0.18 0.00 0.04 0.00 0.00 61.00 62.71 3hxu s PRO 30 Cb -0.16 -2.43 -0.24 0.00 0.04 0.00 0.00 34.50 31.71 3hxu s PRO 30 CO -0.08 -0.26 0.36 1.58 0.04 0.00 0.00 177.00 178.64 3hxu n HIS 31 N -0.32 0.29 -1.80 0.56 -0.00 -1.26 -4.63 115.22 108.06 3hxu n HIS 31 Ca 0.06 0.10 0.02 0.00 0.46 0.00 0.00 57.72 58.36 3hxu n HIS 31 Cb 0.50 -0.93 0.16 0.00 -0.12 0.00 0.00 29.99 29.60 3hxu n HIS 31 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hxu n ASN 32 N -2.70 2.01 -3.54 0.26 4.13 -1.26 -4.92 115.26 109.24 3hxu n ASN 32 Ca -0.21 -3.58 -0.29 0.00 1.68 0.00 0.00 54.58 52.18 3hxu n ASN 32 Cb 0.96 -0.47 -0.14 0.00 -1.54 0.00 0.00 39.78 38.59 3hxu n ASN 32 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hxu s ASP 33 N -3.13 3.36 0.58 6.41 -1.08 -1.26 -5.00 116.67 116.55 3hxu s ASP 33 Ca 0.39 -1.80 0.38 0.00 -0.52 0.00 0.00 52.55 51.00 3hxu s ASP 33 Cb 0.38 -0.48 1.87 0.00 -1.46 0.00 0.00 42.92 43.23 3hxu s ASP 33 CO -0.07 -0.37 2.14 -0.65 0.52 0.00 0.00 175.17 176.74 3hxu h PRO 34 N 7.67 0.00 -0.00 4.34 0.11 -1.95 -2.51 132.00 139.67 3hxu h PRO 34 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3hxu h PRO 34 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hxu h PRO 34 CO 0.37 0.00 -0.27 0.25 -0.21 0.00 0.00 178.00 178.15 3hxu n THR 35 N -2.98 0.00 -3.95 -1.15 -2.24 -1.26 -4.86 114.28 97.84 3hxu n THR 35 Ca -0.01 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 3hxu n THR 35 Cb 0.17 0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 3hxu n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxu s LEU 36 N -2.67 2.73 0.00 3.22 2.96 -0.95 -4.99 118.68 118.98 3hxu s LEU 36 Ca 0.21 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3hxu s LEU 36 Cb 0.19 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.20 3hxu s LEU 36 CO 0.56 -0.02 0.49 -0.11 -1.32 0.00 0.00 176.35 175.95 3hxu n LEU 37 N 4.76 0.04 -4.25 -0.68 7.94 -1.26 -4.78 117.00 118.77 3hxu n LEU 37 Ca -0.19 0.73 -0.20 0.00 -1.11 0.00 0.00 56.01 55.24 3hxu n LEU 37 Cb 0.51 -0.49 -0.12 0.00 0.53 0.00 0.00 43.42 43.85 3hxu n LEU 37 CO 0.28 -0.49 -0.48 -0.36 -1.11 0.00 0.00 177.39 175.24 3hxu s PHE 38 N -1.94 1.54 -0.12 1.96 0.08 -1.26 -4.70 117.98 113.54 3hxu s PHE 38 Ca 0.00 -0.48 -0.35 0.00 0.12 0.00 0.00 56.93 56.22 3hxu s PHE 38 Cb 0.00 -0.82 -0.12 0.00 -0.57 0.00 0.00 43.02 41.50 3hxu s PHE 38 CO 0.00 0.17 1.86 2.41 -0.10 0.00 0.00 175.22 179.56 3hxu n THR 39 N 0.81 0.53 0.15 0.64 -1.04 -0.13 -4.84 114.28 110.40 3hxu n THR 39 Ca -0.17 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 3hxu n THR 39 Cb 0.55 -1.76 -0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3hxu n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hxu n ASN 40 N 6.39 0.76 -3.58 8.00 0.23 -1.26 -1.01 115.26 124.79 3hxu n ASN 40 Ca 0.23 -0.88 -0.12 0.00 -0.53 0.00 0.00 54.58 53.28 3hxu n ASN 40 Cb 0.27 0.46 -0.05 0.00 -2.08 0.00 0.00 39.78 38.38 3hxu n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxu s ALA 41 N -0.76 -1.19 0.50 -2.53 0.00 -1.26 -4.84 121.76 111.68 3hxu s ALA 41 Ca 0.03 0.33 0.16 0.00 0.00 0.00 0.00 51.96 52.47 3hxu s ALA 41 Cb 0.03 0.56 1.21 0.00 0.00 0.00 0.00 23.12 24.91 3hxu s ALA 41 CO 0.08 -0.58 2.11 0.78 0.00 0.00 0.00 175.76 178.15 3hxu h GLY 42 N 2.56 0.12 2.00 0.00 0.00 -1.89 -2.84 103.07 103.02 3hxu h GLY 42 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3hxu h GLY 42 CO 0.43 0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.01 3hxu h MET 43 N 0.11 0.00 -0.65 4.80 -0.00 -1.96 -3.35 114.93 113.89 3hxu h MET 43 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.89 3hxu h MET 43 Cb 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 31.64 3hxu h MET 43 CO -0.01 0.00 0.15 -0.91 -0.00 0.00 0.00 176.91 176.14 3hxu h ASN 44 N 0.00 0.02 0.62 -0.10 -0.26 -1.92 0.51 115.58 114.45 3hxu h ASN 44 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3hxu h ASN 44 Cb 0.51 0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 3hxu h ASN 44 CO 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 177.43 176.38 3hxu n GLN 45 N -5.13 0.05 -0.26 0.81 10.64 -1.26 -2.23 117.38 120.02 3hxu n GLN 45 Ca 0.11 0.15 0.06 0.00 -1.83 0.00 0.00 57.00 55.49 3hxu n GLN 45 Cb 0.36 -1.50 0.19 0.00 -0.86 0.00 0.00 30.24 28.43 3hxu n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hxu n PHE 46 N -1.46 0.61 -0.18 2.61 3.72 0.11 -4.75 117.46 118.12 3hxu n PHE 46 Ca 0.06 -0.60 -0.01 0.00 -0.05 0.00 0.00 57.45 56.84 3hxu n PHE 46 Cb 0.22 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.72 3hxu n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxu h LYS 47 N 1.99 0.07 0.00 -1.08 3.64 -0.93 -0.38 116.57 119.89 3hxu h LYS 47 Ca 0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3hxu h LYS 47 Cb 0.94 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3hxu h LYS 47 CO 0.06 0.05 -0.22 -0.44 -2.27 0.00 0.00 179.45 176.63 3hxu h ASP 48 N 0.08 0.00 -0.11 4.20 3.32 -1.85 -1.59 116.42 120.47 3hxu h ASP 48 Ca 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3hxu h ASP 48 Cb 0.44 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 3hxu h ASP 48 CO -0.50 0.22 -0.05 0.58 -1.72 0.00 0.00 179.24 177.76 3hxu h VAL 49 N 0.00 1.32 -0.52 -1.35 2.07 -1.27 0.41 116.25 116.92 3hxu h VAL 49 Ca -0.00 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.46 3hxu h VAL 49 Cb 0.61 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3hxu h VAL 49 CO 0.03 0.31 0.34 -0.26 0.02 0.00 0.00 177.57 178.01 3hxu h PHE 50 N -0.14 0.56 0.00 1.57 0.04 -1.00 -1.11 116.94 116.86 3hxu h PHE 50 Ca 0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hxu h PHE 50 Cb 0.51 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.48 3hxu h PHE 50 CO 0.07 0.33 0.00 1.28 -0.60 0.00 0.00 178.31 179.39 3hxu n LEU 51 N -4.47 0.55 0.00 1.54 4.77 -0.63 -4.66 117.00 114.10 3hxu n LEU 51 Ca 0.06 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3hxu n LEU 51 Cb 0.15 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3hxu n LEU 51 CO 0.35 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3hxu n GLY 52 N 0.89 0.50 0.08 -0.72 0.00 -0.42 -4.67 105.19 100.84 3hxu n GLY 52 Ca 0.05 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3hxu n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hxu n LEU 53 N 0.00 0.73 -4.10 0.99 4.77 0.06 -4.88 117.00 114.57 3hxu n LEU 53 Ca 0.00 0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 3hxu n LEU 53 Cb 0.00 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3hxu n LEU 53 CO 0.00 -0.09 -0.43 -0.62 -1.33 0.00 0.00 177.39 174.92 3hxu s ASP 54 N -4.66 1.22 -0.03 -1.43 2.15 -0.74 -4.97 116.67 108.21 3hxu s ASP 54 Ca 0.02 -0.49 0.03 0.00 0.43 0.00 0.00 52.55 52.54 3hxu s ASP 54 Cb 0.12 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 3hxu s ASP 54 CO 0.77 -0.09 -0.11 -0.75 -0.17 0.00 0.00 175.17 174.83 3hxu s LYS 55 N -1.35 1.21 0.44 4.34 2.20 -1.26 -4.21 119.74 121.11 3hxu s LYS 55 Ca -0.04 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 3hxu s LYS 55 Cb -0.09 -1.09 0.01 0.00 -1.51 0.00 0.00 37.83 35.16 3hxu s LYS 55 CO 0.01 0.12 0.56 1.03 -0.36 0.00 0.00 175.35 176.71 3hxu s ARG 56 N 0.25 2.72 0.00 4.03 1.81 -1.26 -5.00 118.95 121.50 3hxu s ARG 56 Ca -0.05 -1.34 0.24 0.00 -1.72 0.00 0.00 55.73 52.86 3hxu s ARG 56 Cb -0.10 -2.68 1.04 0.00 -0.45 0.00 0.00 34.95 32.76 3hxu s ARG 56 CO 0.01 -0.33 1.78 0.09 -0.68 0.00 0.00 175.30 176.17 3hxu n ASN 57 N -1.85 0.00 -4.47 0.23 3.02 -1.26 -4.75 115.26 106.19 3hxu n ASN 57 Ca 0.08 0.50 -0.29 0.00 -0.03 0.00 0.00 54.58 54.84 3hxu n ASN 57 Cb 0.60 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 3hxu n ASN 57 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hxu s TYR 58 N -3.00 2.50 -1.64 3.10 -0.85 -1.26 -5.03 117.35 111.17 3hxu s TYR 58 Ca 0.12 -0.28 0.14 0.00 -0.52 0.00 0.00 57.07 56.52 3hxu s TYR 58 Cb 0.16 -1.34 0.08 0.00 0.38 0.00 0.00 41.96 41.25 3hxu s TYR 58 CO 0.45 0.37 0.90 -1.13 -1.52 0.00 0.00 175.55 174.62 3hxu n SER 59 N 0.87 2.01 -3.77 -0.18 3.41 -1.26 -4.95 113.62 109.74 3hxu n SER 59 Ca -0.16 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 3hxu n SER 59 Cb 0.53 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 3hxu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxu s ARG 60 N -1.29 0.39 0.16 4.33 1.70 -1.26 -0.39 118.95 122.58 3hxu s ARG 60 Ca 0.15 0.33 -0.08 0.00 -0.47 0.00 0.00 55.73 55.65 3hxu s ARG 60 Cb 0.12 0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 3hxu s ARG 60 CO 0.21 -0.06 0.26 0.00 -1.08 0.00 0.00 175.30 174.64 3hxu s ALA 61 N -0.05 0.06 -0.10 7.88 0.00 -0.60 -1.41 121.76 127.54 3hxu s ALA 61 Ca -0.02 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.94 3hxu s ALA 61 Cb -0.03 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3hxu s ALA 61 CO 0.01 -0.63 0.26 -0.08 0.00 0.00 0.00 175.76 175.33 3hxu s THR 62 N -3.97 -0.01 0.08 0.00 -1.32 -0.24 -0.38 115.64 109.81 3hxu s THR 62 Ca 0.17 0.02 -0.05 0.00 -1.21 0.00 0.00 61.69 60.62 3hxu s THR 62 Cb 0.04 -0.38 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 3hxu s THR 62 CO -0.00 0.01 0.10 0.42 -2.21 0.00 0.00 174.62 172.93 3hxu s THR 63 N 0.32 0.17 -0.40 5.08 -4.23 -0.81 -1.55 115.64 114.21 3hxu s THR 63 Ca -0.01 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3hxu s THR 63 Cb -0.03 -1.50 0.11 0.00 1.34 0.00 0.00 72.50 72.41 3hxu s THR 63 CO -0.01 -0.75 0.19 -0.55 -0.54 0.00 0.00 174.62 172.96 3hxu s SER 64 N -2.91 5.22 -0.20 3.99 0.15 -1.26 -1.23 113.70 117.46 3hxu s SER 64 Ca 0.08 -2.01 -0.13 0.00 0.70 0.00 0.00 55.95 54.59 3hxu s SER 64 Cb 0.06 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 3hxu s SER 64 CO -0.09 -0.53 0.28 -1.58 1.20 0.00 0.00 173.24 172.53 3hxu s GLN 65 N 1.13 4.18 0.09 5.44 2.00 -0.25 -4.29 119.66 127.96 3hxu s GLN 65 Ca 0.08 0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.15 3hxu s GLN 65 Cb -0.22 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.04 3hxu s GLN 65 CO -0.04 0.11 1.16 -0.98 -0.50 0.00 0.00 175.29 175.03 3hxu s ARG 66 N 0.87 4.48 0.07 1.67 1.70 -1.26 -0.31 118.95 126.17 3hxu s ARG 66 Ca 0.15 1.73 0.06 0.00 -0.47 0.00 0.00 55.73 57.19 3hxu s ARG 66 Cb -0.13 -3.34 -0.03 0.00 -0.57 0.00 0.00 34.95 30.88 3hxu s ARG 66 CO 0.05 -0.16 -0.15 0.00 -1.08 0.00 0.00 175.30 173.96 3hxu s VAL 68 N -1.18 1.39 -0.62 0.00 1.01 -0.18 -1.34 120.40 119.49 3hxu s VAL 68 Ca -0.00 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3hxu s VAL 68 Cb -0.10 -1.28 0.15 0.00 0.00 0.00 0.00 36.38 35.16 3hxu s VAL 68 CO 0.02 0.42 0.39 -0.13 0.00 0.00 0.00 175.10 175.80 3hxu s ARG 69 N 0.93 2.28 0.00 2.72 0.52 0.40 -4.35 118.95 121.45 3hxu s ARG 69 Ca -0.08 -2.90 0.06 0.00 -0.52 0.00 0.00 55.73 52.28 3hxu s ARG 69 Cb -0.15 -3.44 0.10 0.00 0.52 0.00 0.00 34.95 31.98 3hxu s ARG 69 CO -0.00 -1.18 1.01 0.00 0.02 0.00 0.00 175.30 175.14 3hxu n ALA 70 N 2.71 2.12 0.00 2.13 0.00 -1.24 -0.77 120.51 125.46 3hxu n ALA 70 Ca 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.30 3hxu n ALA 70 Cb 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3hxu n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxu n GLY 71 N 0.12 1.54 7.00 0.00 0.00 -1.25 -4.89 105.19 107.70 3hxu n GLY 71 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3hxu n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxu n GLY 72 N -0.67 0.42 0.25 -0.02 0.00 -1.26 -3.97 105.19 99.94 3hxu n GLY 72 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 3hxu n GLY 72 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hxu h LYS 73 N 0.00 0.85 -4.81 1.61 1.63 -1.95 -3.40 116.57 110.50 3hxu h LYS 73 Ca 0.00 -0.19 -0.68 0.00 -0.85 0.00 0.00 60.65 58.93 3hxu h LYS 73 Cb 0.00 -0.12 -0.35 0.00 -0.60 0.00 0.00 32.23 31.17 3hxu h LYS 73 CO 0.00 0.79 -0.74 -1.01 -3.45 0.00 0.00 179.45 175.03 3hxu s HIS 74 N -5.37 3.27 -0.20 1.91 3.76 -1.26 -5.07 115.29 112.34 3hxu s HIS 74 Ca -0.13 -2.07 -0.03 0.00 -0.15 0.00 0.00 55.06 52.68 3hxu s HIS 74 Cb 0.12 -2.04 0.06 0.00 1.11 0.00 0.00 32.58 31.84 3hxu s HIS 74 CO 0.80 -0.84 0.06 1.21 -0.85 0.00 0.00 174.74 175.12 3hxu s ASN 75 N 1.19 2.84 -0.10 1.40 3.84 -1.26 -3.61 114.94 119.24 3hxu s ASN 75 Ca -0.07 -0.83 0.13 0.00 0.21 0.00 0.00 52.86 52.31 3hxu s ASN 75 Cb -0.20 -0.49 0.37 0.00 -0.55 0.00 0.00 41.25 40.38 3hxu s ASN 75 CO -0.03 -0.33 1.29 0.47 -2.79 0.00 0.00 177.10 175.71 3hxu n ASP 76 N 5.12 3.17 -0.24 -4.21 8.00 0.05 -4.74 116.55 123.69 3hxu n ASP 76 Ca -0.08 -2.61 0.03 0.00 0.71 0.00 0.00 54.79 52.84 3hxu n ASP 76 Cb 0.47 -0.37 0.15 0.00 -0.02 0.00 0.00 41.12 41.35 3hxu n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxu h LEU 77 N 1.41 0.31 0.00 0.64 5.85 -1.85 -1.59 115.31 120.08 3hxu h LEU 77 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hxu h LEU 77 Cb 1.06 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3hxu h LEU 77 CO 0.10 0.15 0.00 -0.62 -0.34 0.00 0.00 178.44 177.73 3hxu n GLU 78 N -4.97 0.05 0.12 1.25 -0.58 -1.26 -2.47 120.64 112.78 3hxu n GLU 78 Ca 0.12 0.08 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 3hxu n GLU 78 Cb 0.34 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.72 3hxu n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hxu h ASN 79 N 0.00 0.00 -2.57 1.62 2.35 -1.65 -3.45 115.58 111.88 3hxu h ASN 79 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3hxu h ASN 79 Cb 0.39 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.80 3hxu h ASN 79 CO 0.00 0.39 1.08 -0.69 -1.65 0.00 0.00 177.43 176.56 3hxu s VAL 80 N -3.04 2.35 0.00 2.81 1.01 -1.03 -0.88 120.40 121.62 3hxu s VAL 80 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3hxu s VAL 80 Cb 0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3hxu s VAL 80 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.47 3hxu n GLY 81 N 4.16 2.21 0.00 4.51 0.00 -1.26 -4.83 105.19 109.98 3hxu n GLY 81 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3hxu n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxu n TYR 82 N -2.00 0.00 -4.31 1.61 4.01 -0.06 -4.95 117.16 111.46 3hxu n TYR 82 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 3hxu n TYR 82 Cb 0.00 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 38.70 3hxu n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxu s THR 83 N -2.94 1.12 -1.86 -0.72 -4.23 -1.09 -5.03 115.64 100.89 3hxu s THR 83 Ca -0.01 -2.05 0.30 0.00 -1.18 0.00 0.00 61.69 58.74 3hxu s THR 83 Cb 0.12 -2.17 0.60 0.00 1.34 0.00 0.00 72.50 72.39 3hxu s THR 83 CO 0.70 -0.48 1.96 0.00 -0.54 0.00 0.00 174.62 176.27 3hxu n ALA 84 N -0.35 2.69 0.00 3.99 0.00 -1.26 -4.31 120.51 121.27 3hxu n ALA 84 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3hxu n ALA 84 Cb 0.63 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3hxu n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxu n ARG 85 N -0.82 4.87 -4.15 0.00 1.85 -1.26 -1.07 116.66 116.08 3hxu n ARG 85 Ca 0.18 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.68 3hxu n ARG 85 Cb 0.24 -0.43 -0.10 0.00 -1.05 0.00 0.00 32.46 31.12 3hxu n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxu s HIS 86 N -0.84 3.20 0.36 2.89 3.76 -1.26 -4.97 115.29 118.44 3hxu s HIS 86 Ca 0.00 0.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 3hxu s HIS 86 Cb 0.00 -1.99 -0.07 0.00 1.11 0.00 0.00 32.58 31.63 3hxu s HIS 86 CO 0.00 0.20 0.01 -1.01 -0.85 0.00 0.00 174.74 173.09 3hxu s HIS 87 N 0.07 2.28 -0.13 1.40 3.76 -1.26 -4.52 115.29 116.88 3hxu s HIS 87 Ca 0.04 -0.74 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 3hxu s HIS 87 Cb -0.13 -1.52 -0.12 0.00 1.11 0.00 0.00 32.58 31.93 3hxu s HIS 87 CO 0.01 0.31 0.26 1.79 -0.85 0.00 0.00 174.74 176.27 3hxu h THR 88 N 1.96 0.73 -3.23 1.30 1.35 -1.86 -3.44 112.91 109.72 3hxu h THR 88 Ca -0.42 -1.61 -0.60 0.00 -0.55 0.00 0.00 66.41 63.22 3hxu h THR 88 Cb 1.24 1.44 -0.10 0.00 -1.73 0.00 0.00 68.15 69.00 3hxu h THR 88 CO 0.75 0.25 -0.36 0.12 -0.25 0.00 0.00 175.52 176.03 3hxu s PHE 89 N -1.99 3.48 0.18 4.73 5.36 -1.26 -0.45 117.98 128.02 3hxu s PHE 89 Ca -0.13 0.56 -0.19 0.00 -0.96 0.00 0.00 56.93 56.22 3hxu s PHE 89 Cb 0.00 -2.28 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 3hxu s PHE 89 CO 0.35 0.30 0.52 -0.59 -1.46 0.00 0.00 175.22 174.34 3hxu s PHE 90 N 0.26 -0.24 -0.18 10.12 -0.12 -0.45 -4.89 117.98 122.48 3hxu s PHE 90 Ca 0.15 -0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 56.85 3hxu s PHE 90 Cb -0.13 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 3hxu s PHE 90 CO 0.03 -0.87 0.15 -1.21 -0.05 0.00 0.00 175.22 173.28 3hxu s GLU 91 N -3.83 4.10 -0.28 1.99 2.02 -1.26 -0.16 118.70 121.29 3hxu s GLU 91 Ca 0.06 -0.17 -0.08 0.00 0.02 0.00 0.00 54.97 54.80 3hxu s GLU 91 Cb -0.01 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3hxu s GLU 91 CO -0.07 0.36 0.11 1.41 0.02 0.00 0.00 175.26 177.09 3hxu s MET 92 N 0.19 3.48 -0.21 1.61 -2.45 0.57 -1.37 119.30 121.12 3hxu s MET 92 Ca 0.10 -0.61 -0.25 0.00 -1.25 0.00 0.00 55.69 53.68 3hxu s MET 92 Cb -0.11 -3.44 -0.01 0.00 1.25 0.00 0.00 34.83 32.52 3hxu s MET 92 CO -0.00 -0.31 0.83 -0.51 1.05 0.00 0.00 175.02 176.08 3hxu s LEU 93 N 1.61 4.12 0.04 4.11 1.43 0.15 -1.09 118.68 129.05 3hxu s LEU 93 Ca 0.05 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 3hxu s LEU 93 Cb -0.16 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 3hxu s LEU 93 CO 0.05 -0.47 -0.09 -0.83 0.23 0.00 0.00 176.35 175.25 3hxu s GLY 94 N 1.25 0.54 0.07 -3.19 0.00 -0.37 0.52 107.32 106.14 3hxu s GLY 94 Ca 0.37 -0.74 0.08 0.00 0.00 0.00 0.00 44.72 44.43 3hxu s GLY 94 CO 0.09 -0.77 -0.21 0.54 0.00 0.00 0.00 173.10 172.75 3hxu s ASN 95 N -1.40 2.59 -0.01 1.64 4.22 -1.24 -1.92 114.94 118.81 3hxu s ASN 95 Ca -0.07 -0.60 0.02 0.00 -2.14 0.00 0.00 52.86 50.07 3hxu s ASN 95 Cb -0.09 -0.19 0.00 0.00 1.28 0.00 0.00 41.25 42.26 3hxu s ASN 95 CO 0.01 0.13 -0.05 -0.36 -2.04 0.00 0.00 177.10 174.79 3hxu s PHE 96 N -0.94 0.56 -0.21 1.54 0.08 0.49 -1.95 117.98 117.55 3hxu s PHE 96 Ca 0.08 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.02 3hxu s PHE 96 Cb -0.09 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 3hxu s PHE 96 CO 0.03 -0.06 -0.15 0.45 -0.10 0.00 0.00 175.22 175.39 3hxu s SER 97 N 0.18 3.62 -1.02 1.36 0.15 -0.52 -1.55 113.70 115.93 3hxu s SER 97 Ca -0.02 -0.78 -0.10 0.00 0.70 0.00 0.00 55.95 55.76 3hxu s SER 97 Cb -0.06 -1.54 0.26 0.00 -1.71 0.00 0.00 66.02 62.97 3hxu s SER 97 CO -0.00 -0.05 0.99 -0.36 1.20 0.00 0.00 173.24 175.02 3hxu s PHE 98 N 1.28 4.11 -1.40 3.44 0.40 0.48 -1.36 117.98 124.93 3hxu s PHE 98 Ca 0.02 -2.56 -0.03 0.00 -0.60 0.00 0.00 56.93 53.76 3hxu s PHE 98 Cb -0.15 -3.77 0.00 0.00 0.51 0.00 0.00 43.02 39.61 3hxu s PHE 98 CO -0.10 -0.94 0.37 0.41 0.70 0.00 0.00 175.22 175.67 3hxu n GLY 99 N 2.98 -0.36 0.00 4.36 0.00 -1.26 -4.84 105.19 106.08 3hxu n GLY 99 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hxu n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxu n ASP 100 N -1.77 0.00 -4.92 1.61 -0.08 -1.26 -5.09 116.55 105.04 3hxu n ASP 100 Ca -0.13 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.94 3hxu n ASP 100 Cb 0.62 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.13 3hxu n ASP 100 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hxu s TYR 101 N 0.56 2.37 0.00 -0.67 -0.85 -1.26 -5.13 117.35 112.36 3hxu s TYR 101 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3hxu s TYR 101 Cb 0.00 -2.67 0.00 0.00 0.38 0.00 0.00 41.96 39.67 3hxu s TYR 101 CO 0.00 -1.03 0.00 0.34 -1.52 0.00 0.00 175.55 173.34 3hxu n PHE 102 N -2.36 0.00 0.23 -3.49 7.35 -1.26 -4.63 117.46 113.30 3hxu n PHE 102 Ca 0.11 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.64 3hxu n PHE 102 Cb 0.60 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.35 3hxu n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxu h LYS 103 N 0.00 -0.72 -0.14 -4.13 1.57 -1.99 -1.57 116.57 109.58 3hxu h LYS 103 Ca 0.00 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hxu h LYS 103 Cb 0.00 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hxu h LYS 103 CO 0.00 -0.48 0.07 1.25 -0.57 0.00 0.00 179.45 179.72 3hxu h LEU 104 N -0.75 0.18 -0.94 2.94 5.85 -1.98 -1.96 115.31 118.66 3hxu h LEU 104 Ca -0.03 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3hxu h LEU 104 Cb 0.67 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3hxu h LEU 104 CO -0.06 0.23 -0.40 0.44 -0.34 0.00 0.00 178.44 178.32 3hxu h ASP 105 N 0.12 0.27 -0.32 1.25 3.32 -1.96 -0.03 116.42 119.07 3hxu h ASP 105 Ca 0.05 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3hxu h ASP 105 Cb 0.10 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hxu h ASP 105 CO -0.01 0.65 0.12 0.00 -1.72 0.00 0.00 179.24 178.28 3hxu h ALA 106 N 1.37 0.41 -0.54 3.45 0.00 -1.14 -0.86 119.26 121.95 3hxu h ALA 106 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hxu h ALA 106 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3hxu h ALA 106 CO 0.06 0.02 0.21 0.82 0.00 0.00 0.00 179.25 180.36 3hxu h ILE 107 N 0.36 1.22 -0.57 0.00 2.04 -1.10 -2.57 117.51 116.89 3hxu h ILE 107 Ca 0.10 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3hxu h ILE 107 Cb 0.20 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3hxu h ILE 107 CO -0.01 0.27 0.23 -0.07 0.00 0.00 0.00 178.15 178.57 3hxu h LEU 108 N 0.74 0.78 -0.30 1.44 3.38 -0.88 -0.99 115.31 119.48 3hxu h LEU 108 Ca 0.18 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hxu h LEU 108 Cb 0.21 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hxu h LEU 108 CO -0.01 0.73 0.13 -0.26 0.09 0.00 0.00 178.44 179.12 3hxu h PHE 109 N 0.78 0.23 -0.20 1.13 0.05 -1.09 -0.39 116.94 117.44 3hxu h PHE 109 Ca 0.19 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 3hxu h PHE 109 Cb 0.20 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.08 3hxu h PHE 109 CO 0.01 0.11 0.07 0.00 -0.18 0.00 0.00 178.31 178.33 3hxu h ALA 110 N 1.18 0.26 -0.68 2.45 0.00 -1.24 -1.89 119.26 119.33 3hxu h ALA 110 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hxu h ALA 110 Cb 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hxu h ALA 110 CO -0.12 -0.14 0.23 2.35 0.00 0.00 0.00 179.25 181.58 3hxu h TRP 111 N 0.16 1.04 0.22 0.00 2.91 -1.08 -2.01 115.95 117.19 3hxu h TRP 111 Ca 0.07 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3hxu h TRP 111 Cb 0.20 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 3hxu h TRP 111 CO -0.01 0.82 -0.10 1.25 -1.03 0.00 0.00 178.44 179.37 3hxu h LEU 112 N 0.99 -0.25 -0.67 0.65 5.85 -0.89 -0.62 115.31 120.38 3hxu h LEU 112 Ca 0.22 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3hxu h LEU 112 Cb 0.25 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3hxu h LEU 112 CO -0.01 -0.07 0.39 0.25 -0.34 0.00 0.00 178.44 178.66 3hxu h LEU 113 N -0.41 0.62 -0.32 2.25 5.85 -1.25 -0.52 115.31 121.52 3hxu h LEU 113 Ca -0.03 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 3hxu h LEU 113 Cb 0.32 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hxu h LEU 113 CO 0.05 0.41 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.14 3hxu h LEU 114 N 0.75 0.86 0.00 2.25 3.38 -1.26 -0.65 115.31 120.64 3hxu h LEU 114 Ca 0.29 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hxu h LEU 114 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hxu h LEU 114 CO -0.15 1.16 -0.34 0.35 0.09 0.00 0.00 178.44 179.56 3hxu n THR 115 N -4.17 0.00 -2.07 0.22 -2.24 -0.25 -0.16 114.28 105.61 3hxu n THR 115 Ca -0.03 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 3hxu n THR 115 Cb 0.52 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 3hxu n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxu s SER 116 N -1.54 6.58 0.58 3.42 0.15 -0.21 -4.31 113.70 118.36 3hxu s SER 116 Ca 0.01 2.71 0.27 0.00 0.70 0.00 0.00 55.95 59.64 3hxu s SER 116 Cb 0.03 -2.65 1.70 0.00 -1.71 0.00 0.00 66.02 63.39 3hxu s SER 116 CO 0.16 -0.67 2.22 1.05 1.20 0.00 0.00 173.24 177.19 3hxu h GLU 117 N 3.10 0.00 0.00 5.44 4.11 -1.94 -0.96 114.58 124.33 3hxu h GLU 117 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3hxu h GLU 117 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hxu h GLU 117 CO 0.64 0.00 -0.08 0.87 0.07 0.00 0.00 179.01 180.51 3hxu h LYS 118 N 0.00 0.00 0.00 1.06 1.57 -1.93 -3.45 116.57 113.82 3hxu h LYS 118 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hxu h LYS 118 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3hxu h LYS 118 CO -0.00 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.79 3hxu n TRP 119 N -2.51 0.00 0.24 -1.35 7.02 -0.45 -4.99 117.44 115.40 3hxu n TRP 119 Ca 0.05 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.66 3hxu n TRP 119 Cb 0.46 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.80 3hxu n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxu h PHE 120 N 0.00 0.00 -6.37 -5.99 0.04 -1.19 -3.48 116.94 99.96 3hxu h PHE 120 Ca 0.00 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 3hxu h PHE 120 Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 3hxu h PHE 120 CO 0.00 0.06 -0.77 0.00 -0.60 0.00 0.00 178.31 177.00 3hxu n ALA 121 N -2.12 -1.26 -1.77 2.45 0.00 -0.68 -4.90 120.51 112.23 3hxu n ALA 121 Ca 0.02 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3hxu n ALA 121 Cb 0.42 -4.26 -0.01 0.00 0.00 0.00 0.00 19.45 15.61 3hxu n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxu s LEU 122 N -7.26 4.24 -0.12 0.00 1.02 0.77 -4.94 118.68 112.39 3hxu s LEU 122 Ca 0.68 2.57 -0.29 0.00 0.02 0.00 0.00 54.13 57.11 3hxu s LEU 122 Cb -0.35 -3.90 -0.06 0.00 0.02 0.00 0.00 46.19 41.90 3hxu s LEU 122 CO 0.84 -0.76 2.01 -2.16 0.02 0.00 0.00 176.35 176.30 3hxu s PRO 123 N -2.19 3.65 0.35 1.29 0.04 -1.26 -4.60 135.00 132.28 3hxu s PRO 123 Ca 0.56 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.84 3hxu s PRO 123 Cb -0.36 -4.23 0.69 0.00 0.04 0.00 0.00 34.50 30.64 3hxu s PRO 123 CO 0.47 -1.50 1.95 0.87 0.04 0.00 0.00 177.00 178.82 3hxu h LYS 124 N 12.51 0.79 0.00 4.56 1.57 -1.92 -2.09 116.57 132.00 3hxu h LYS 124 Ca -0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hxu h LYS 124 Cb 1.22 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3hxu h LYS 124 CO 0.96 0.53 0.00 1.05 -0.57 0.00 0.00 179.45 181.42 3hxu h GLU 125 N 0.82 0.00 -0.19 3.15 9.09 -2.03 -1.79 114.58 123.62 3hxu h GLU 125 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 3hxu h GLU 125 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3hxu h GLU 125 CO -0.11 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.49 3hxu n ARG 126 N -2.87 2.10 -3.93 1.06 1.74 -0.78 -4.91 116.66 109.06 3hxu n ARG 126 Ca -0.02 -1.64 -0.35 0.00 -0.77 0.00 0.00 57.85 55.07 3hxu n ARG 126 Cb 0.12 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 3hxu n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxu s LEU 127 N -1.68 3.99 0.19 0.55 1.43 -0.68 -1.21 118.68 121.27 3hxu s LEU 127 Ca 0.34 0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.74 3hxu s LEU 127 Cb 0.20 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3hxu s LEU 127 CO 0.30 0.22 -0.24 0.26 0.23 0.00 0.00 176.35 177.12 3hxu s TRP 128 N 0.09 2.31 0.06 0.29 0.52 -0.25 -4.97 118.94 116.99 3hxu s TRP 128 Ca 0.07 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.88 3hxu s TRP 128 Cb -0.12 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 3hxu s TRP 128 CO 0.00 0.49 -0.13 0.14 0.02 0.00 0.00 176.95 177.47 3hxu s VAL 129 N -1.64 1.04 0.07 4.03 -7.23 -0.52 0.05 120.40 116.19 3hxu s VAL 129 Ca 0.21 -1.17 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 3hxu s VAL 129 Cb -0.08 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 3hxu s VAL 129 CO 0.10 -0.16 -0.19 0.42 -0.31 0.00 0.00 175.10 174.95 3hxu s THR 130 N -1.13 2.71 0.16 5.32 -4.23 -0.36 -0.75 115.64 117.35 3hxu s THR 130 Ca -0.02 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 3hxu s THR 130 Cb -0.09 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 3hxu s THR 130 CO 0.02 0.25 -0.13 0.68 -0.54 0.00 0.00 174.62 174.89 3hxu s VAL 131 N -0.99 1.44 0.24 2.29 -7.23 0.17 -2.07 120.40 114.26 3hxu s VAL 131 Ca 0.15 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 3hxu s VAL 131 Cb -0.10 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 3hxu s VAL 131 CO 0.07 -0.55 1.48 -0.47 -0.31 0.00 0.00 175.10 175.32 3hxu s TYR 132 N -2.69 2.99 0.30 2.82 5.04 -1.23 -0.57 117.35 124.01 3hxu s TYR 132 Ca 0.15 0.93 0.07 0.00 -2.44 0.00 0.00 57.07 55.78 3hxu s TYR 132 Cb -0.02 -3.87 0.81 0.00 0.35 0.00 0.00 41.96 39.23 3hxu s TYR 132 CO 0.04 -2.91 1.71 1.49 -1.34 0.00 0.00 175.55 174.54 3hxu h GLU 133 N 5.31 0.45 -0.01 4.97 4.81 -1.24 0.33 114.58 129.21 3hxu h GLU 133 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hxu h GLU 133 Cb 1.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3hxu h GLU 133 CO 0.80 0.30 -0.05 -1.13 -0.73 0.00 0.00 179.01 178.21 3hxu n SER 134 N -4.98 0.75 -4.28 1.04 3.41 -1.26 -4.56 113.62 103.74 3hxu n SER 134 Ca 0.24 -1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 3hxu n SER 134 Cb 0.71 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3hxu n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxu n ASP 135 N -0.54 5.06 0.03 4.04 -0.08 0.12 -4.77 116.55 120.42 3hxu n ASP 135 Ca 0.19 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.47 3hxu n ASP 135 Cb 0.26 -1.58 0.31 0.00 2.34 0.00 0.00 41.12 42.45 3hxu n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxu h ASP 136 N 6.75 0.41 -0.27 1.67 3.32 -1.82 -2.60 116.42 123.88 3hxu h ASP 136 Ca 0.37 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3hxu h ASP 136 Cb 0.79 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3hxu h ASP 136 CO 1.42 0.54 0.14 -0.33 -1.72 0.00 0.00 179.24 179.28 3hxu h GLU 137 N 0.41 0.39 -0.54 3.56 5.08 -1.97 -1.51 114.58 120.00 3hxu h GLU 137 Ca 0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hxu h GLU 137 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3hxu h GLU 137 CO 0.02 0.37 0.25 0.00 -1.00 0.00 0.00 179.01 178.65 3hxu h ALA 138 N 1.00 0.70 -0.19 3.43 0.00 -1.93 -1.21 119.26 121.06 3hxu h ALA 138 Ca 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hxu h ALA 138 Cb 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hxu h ALA 138 CO -0.01 0.28 -0.08 -0.92 0.00 0.00 0.00 179.25 178.51 3hxu h TYR 139 N 0.73 -0.20 -0.58 0.00 3.20 -1.30 -1.89 116.97 116.93 3hxu h TYR 139 Ca 0.19 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hxu h TYR 139 Cb 0.14 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3hxu h TYR 139 CO -0.00 -0.13 0.17 0.93 -1.64 0.00 0.00 178.16 177.49 3hxu h GLU 140 N -0.06 0.88 -0.10 1.82 5.08 -1.08 -0.81 114.58 120.31 3hxu h GLU 140 Ca 0.10 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hxu h GLU 140 Cb 0.21 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hxu h GLU 140 CO -0.23 0.77 0.06 0.82 -1.00 0.00 0.00 179.01 179.43 3hxu h ILE 141 N 0.86 1.08 -0.54 3.13 2.04 -0.91 0.23 117.51 123.39 3hxu h ILE 141 Ca 0.19 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hxu h ILE 141 Cb 0.26 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3hxu h ILE 141 CO -0.01 0.07 0.28 -0.50 0.00 0.00 0.00 178.15 177.99 3hxu h TRP 142 N 0.08 0.76 0.04 1.37 4.06 -1.10 -0.04 115.95 121.12 3hxu h TRP 142 Ca 0.04 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 3hxu h TRP 142 Cb 0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 3hxu h TRP 142 CO -0.05 0.58 -0.02 1.49 -3.56 0.00 0.00 178.44 176.88 3hxu h GLU 143 N 0.73 -0.06 0.00 0.49 4.81 -1.01 -0.75 114.58 118.79 3hxu h GLU 143 Ca 0.19 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.04 3hxu h GLU 143 Cb 0.08 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 3hxu h GLU 143 CO -0.03 0.45 -2.44 1.63 -0.73 0.00 0.00 179.01 177.90 3hxu n LYS 144 N -4.87 0.67 0.04 1.92 5.02 0.81 -3.08 118.16 118.67 3hxu n LYS 144 Ca -0.09 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 3hxu n LYS 144 Cb 0.27 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3hxu n LYS 144 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hxu h GLU 145 N 0.00 0.30 0.08 1.97 4.39 -1.17 -3.39 114.58 116.76 3hxu h GLU 145 Ca -0.57 -0.52 -0.28 0.00 0.34 0.00 0.00 59.36 58.33 3hxu h GLU 145 Cb 2.05 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.88 3hxu h GLU 145 CO -0.04 1.25 -1.51 0.28 -1.16 0.00 0.00 179.01 177.84 3hxu h VAL 146 N -0.22 0.89 -0.08 3.13 2.07 -1.13 -3.50 116.25 117.42 3hxu h VAL 146 Ca -0.27 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 64.93 3hxu h VAL 146 Cb 1.83 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 34.12 3hxu h VAL 146 CO 0.11 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.96 3hxu n GLY 147 N 1.72 1.40 3.71 2.17 0.00 -0.42 -5.03 105.19 108.74 3hxu n GLY 147 Ca -0.29 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3hxu n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxu s ILE 148 N -2.08 3.76 0.34 -0.61 -1.09 -0.43 -4.99 121.20 116.11 3hxu s ILE 148 Ca 0.00 1.25 -0.28 0.00 -2.23 0.00 0.00 60.65 59.39 3hxu s ILE 148 Cb 0.00 -3.80 -0.12 0.00 -1.58 0.00 0.00 42.46 36.95 3hxu s ILE 148 CO 0.00 0.09 1.31 -2.65 -1.23 0.00 0.00 174.94 172.46 3hxu n PRO 149 N 4.03 2.19 -0.02 2.79 -0.02 -1.26 -4.48 135.00 138.23 3hxu n PRO 149 Ca 0.10 0.77 0.16 0.00 -2.02 0.00 0.00 63.50 62.50 3hxu n PRO 149 Cb 0.45 -2.37 0.60 0.00 -0.02 0.00 0.00 33.50 32.16 3hxu n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxu h ARG 150 N 2.64 0.17 0.00 -0.52 3.08 -1.94 -0.77 114.38 117.04 3hxu h ARG 150 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3hxu h ARG 150 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hxu h ARG 150 CO 0.63 0.12 0.00 -0.85 -1.07 0.00 0.00 179.97 178.80 3hxu n GLU 151 N -4.44 0.13 -0.22 0.04 0.00 -1.26 -1.79 120.64 113.11 3hxu n GLU 151 Ca 0.09 0.47 0.06 0.00 0.00 0.00 0.00 57.16 57.78 3hxu n GLU 151 Cb 0.47 -1.81 0.16 0.00 0.00 0.00 0.00 31.44 30.26 3hxu n GLU 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3hxu n ARG 152 N -2.07 2.78 -3.76 3.44 1.74 -0.30 -4.89 116.66 113.60 3hxu n ARG 152 Ca 0.01 -2.24 -0.37 0.00 -0.77 0.00 0.00 57.85 54.48 3hxu n ARG 152 Cb 0.14 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 3hxu n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxu s ILE 153 N -1.68 3.93 -0.17 0.55 1.01 -0.74 -1.44 121.20 122.66 3hxu s ILE 153 Ca 0.26 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3hxu s ILE 153 Cb 0.18 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 3hxu s ILE 153 CO 0.10 0.07 -0.08 -0.63 0.00 0.00 0.00 174.94 174.40 3hxu s ILE 154 N 1.49 3.34 -0.10 2.92 -1.09 0.07 -4.99 121.20 122.84 3hxu s ILE 154 Ca 0.02 -0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 57.70 3hxu s ILE 154 Cb -0.17 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 3hxu s ILE 154 CO 0.02 0.48 0.60 -0.13 -1.23 0.00 0.00 174.94 174.69 3hxu s ARG 155 N 0.74 4.38 -0.14 2.79 0.52 -1.26 -0.65 118.95 125.33 3hxu s ARG 155 Ca -0.04 0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 3hxu s ARG 155 Cb -0.15 -3.46 0.01 0.00 0.52 0.00 0.00 34.95 31.88 3hxu s ARG 155 CO 0.02 0.07 -0.19 0.42 0.02 0.00 0.00 175.30 175.63 3hxu s ILE 156 N 0.84 1.87 0.00 1.52 -1.09 0.26 -4.82 121.20 119.79 3hxu s ILE 156 Ca 0.32 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3hxu s ILE 156 Cb -0.16 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 3hxu s ILE 156 CO 0.14 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 3hxu n GLY 157 N 4.22 1.19 2.97 6.18 0.00 -1.26 -0.71 105.19 117.79 3hxu n GLY 157 Ca -0.20 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3hxu n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxu n ASP 158 N 0.00 4.23 0.00 1.61 8.00 -1.26 -4.50 116.55 124.62 3hxu n ASP 158 Ca 0.00 -2.88 0.13 0.00 0.71 0.00 0.00 54.79 52.75 3hxu n ASP 158 Cb 0.00 -1.67 0.78 0.00 -0.02 0.00 0.00 41.12 40.21 3hxu n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxu n ASN 159 N 6.57 0.00 -1.50 -2.24 6.94 -1.16 -2.69 115.26 121.18 3hxu n ASN 159 Ca 0.50 -0.88 0.10 0.00 -0.02 0.00 0.00 54.58 54.29 3hxu n ASN 159 Cb 0.41 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.17 3hxu n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxu n LYS 160 N -0.98 3.51 -2.37 -3.83 4.01 -0.53 -4.97 118.16 113.00 3hxu n LYS 160 Ca 0.20 -2.83 -0.05 0.00 -0.51 0.00 0.00 58.31 55.12 3hxu n LYS 160 Cb 0.09 -1.81 0.01 0.00 -0.51 0.00 0.00 35.03 32.80 3hxu n LYS 160 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hxu n GLY 161 N 1.18 0.39 3.57 0.72 0.00 -1.10 -4.97 105.19 104.99 3hxu n GLY 161 Ca 0.25 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3hxu n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxu s ALA 162 N -2.60 -1.93 0.08 4.61 0.00 -1.26 -5.06 121.76 115.61 3hxu s ALA 162 Ca 0.06 1.52 -0.36 0.00 0.00 0.00 0.00 51.96 53.18 3hxu s ALA 162 Cb -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 23.12 22.38 3hxu s ALA 162 CO 0.07 -0.37 1.47 -2.30 0.00 0.00 0.00 175.76 174.63 3hxu n PRO 163 N 0.56 1.52 -0.79 0.00 -0.02 -1.26 -0.82 135.00 134.20 3hxu n PRO 163 Ca -0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3hxu n PRO 163 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hxu n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxu n TYR 164 N 3.16 0.00 -3.02 6.00 4.01 -1.26 -4.93 117.16 121.12 3hxu n TYR 164 Ca 0.19 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 3hxu n TYR 164 Cb 0.22 -1.13 -0.04 0.00 -0.31 0.00 0.00 39.34 38.09 3hxu n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxu s ALA 165 N -1.75 3.39 0.01 -0.72 0.00 0.00 -4.78 121.76 117.91 3hxu s ALA 165 Ca 0.00 -2.39 -0.20 0.00 0.00 0.00 0.00 51.96 49.37 3hxu s ALA 165 Cb 0.00 -3.75 0.04 0.00 0.00 0.00 0.00 23.12 19.41 3hxu s ALA 165 CO 0.00 -2.62 0.45 0.45 0.00 0.00 0.00 175.76 174.03 3hxu s SER 166 N 3.51 -0.35 0.41 0.00 0.15 -1.26 -1.45 113.70 114.70 3hxu s SER 166 Ca 0.20 0.20 0.29 0.00 0.70 0.00 0.00 55.95 57.34 3hxu s SER 166 Cb -0.16 0.42 1.32 0.00 -1.71 0.00 0.00 66.02 65.89 3hxu s SER 166 CO 0.01 -0.59 1.87 0.44 1.20 0.00 0.00 173.24 176.18 3hxu h ASP 167 N 3.26 0.00 -0.23 5.45 3.32 -1.93 -3.00 116.42 123.30 3hxu h ASP 167 Ca -0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 3hxu h ASP 167 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 3hxu h ASP 167 CO 0.41 0.00 -0.10 0.59 -1.72 0.00 0.00 179.24 178.43 3hxu n ASN 168 N -2.60 2.75 -3.73 6.45 4.13 -1.26 -4.82 115.26 116.17 3hxu n ASN 168 Ca 0.00 -3.47 -0.25 0.00 1.68 0.00 0.00 54.58 52.54 3hxu n ASN 168 Cb 0.20 -0.56 -0.17 0.00 -1.54 0.00 0.00 39.78 37.70 3hxu n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxu s PHE 169 N -3.07 0.72 -0.18 3.10 5.36 -1.13 -0.97 117.98 121.81 3hxu s PHE 169 Ca 0.41 -0.44 -0.09 0.00 -0.96 0.00 0.00 56.93 55.85 3hxu s PHE 169 Cb 0.36 -0.86 -0.05 0.00 -0.34 0.00 0.00 43.02 42.14 3hxu s PHE 169 CO 0.02 -0.46 0.13 -0.46 -1.46 0.00 0.00 175.22 172.99 3hxu s TRP 170 N 1.96 3.44 -0.05 10.12 -0.00 0.07 -4.43 118.94 130.05 3hxu s TRP 170 Ca 0.02 0.36 0.05 0.00 -0.00 0.00 0.00 56.10 56.53 3hxu s TRP 170 Cb -0.15 -2.09 -0.01 0.00 -0.00 0.00 0.00 33.47 31.23 3hxu s TRP 170 CO -0.07 0.40 -0.20 -0.65 -0.00 0.00 0.00 176.95 176.43 3hxu s GLN 171 N -0.02 2.01 0.15 5.86 -0.21 -1.26 -2.00 119.66 124.19 3hxu s GLN 171 Ca 0.09 -0.71 -0.12 0.00 0.02 0.00 0.00 55.36 54.65 3hxu s GLN 171 Cb -0.11 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.17 3hxu s GLN 171 CO -0.00 0.30 1.59 1.98 -2.12 0.00 0.00 175.29 177.03 3hxu h MET 172 N 6.16 0.92 0.00 2.91 1.85 -1.82 -3.48 114.93 121.47 3hxu h MET 172 Ca -0.33 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 58.45 3hxu h MET 172 Cb 1.17 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.13 3hxu h MET 172 CO 0.48 0.97 0.00 0.41 -0.40 0.00 0.00 176.91 178.37 3hxu n GLY 173 N -0.31 2.28 0.27 1.39 0.00 -1.26 -4.80 105.19 102.74 3hxu n GLY 173 Ca 0.01 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3hxu n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxu h ASP 174 N 0.00 0.00 -3.54 1.61 3.45 -1.94 -3.42 116.42 112.59 3hxu h ASP 174 Ca 0.00 0.00 -0.42 0.00 0.43 0.00 0.00 57.03 57.04 3hxu h ASP 174 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 3hxu h ASP 174 CO 0.00 0.07 -0.67 0.42 -1.57 0.00 0.00 179.24 177.49 3hxu s THR 175 N -4.54 1.27 0.00 0.35 -4.23 -1.26 -4.55 115.64 102.68 3hxu s THR 175 Ca -0.04 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3hxu s THR 175 Cb 0.15 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3hxu s THR 175 CO 0.60 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 3hxu n GLY 176 N -0.46 1.19 3.68 3.99 0.00 -0.93 -4.68 105.19 107.98 3hxu n GLY 176 Ca -0.06 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 3hxu n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hxu n PRO 177 N -0.45 2.03 -3.85 1.61 -0.02 -1.26 -1.34 135.00 131.73 3hxu n PRO 177 Ca 0.00 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 3hxu n PRO 177 Cb 0.00 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 3hxu n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxu n GLY 179 N -0.42 0.52 3.74 0.00 0.00 -0.85 -1.36 105.19 106.81 3hxu n GLY 179 Ca -0.05 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 3hxu n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxu s PRO 180 N -2.00 2.66 0.08 1.61 0.04 -1.24 -0.75 135.00 135.41 3hxu s PRO 180 Ca 0.00 1.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 3hxu s PRO 180 Cb 0.00 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 3hxu s PRO 180 CO 0.00 -1.49 0.08 0.00 0.04 0.00 0.00 177.00 175.64 3hxu s THR 182 N -3.92 1.15 0.07 0.00 -1.32 0.08 -3.56 115.64 108.13 3hxu s THR 182 Ca 0.10 -0.54 0.09 0.00 -1.21 0.00 0.00 61.69 60.12 3hxu s THR 182 Cb 0.06 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 3hxu s THR 182 CO -0.08 0.34 -0.24 -1.61 -2.21 0.00 0.00 174.62 170.83 3hxu s GLU 183 N 0.23 1.78 -0.18 7.08 2.02 -0.88 -0.66 118.70 128.08 3hxu s GLU 183 Ca -0.06 -1.14 -0.05 0.00 0.02 0.00 0.00 54.97 53.75 3hxu s GLU 183 Cb -0.11 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 3hxu s GLU 183 CO 0.02 0.50 -0.01 0.42 0.02 0.00 0.00 175.26 176.21 3hxu s ILE 184 N -0.92 3.94 0.06 -1.63 1.01 0.08 -1.22 121.20 122.51 3hxu s ILE 184 Ca 0.13 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3hxu s ILE 184 Cb -0.10 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3hxu s ILE 184 CO 0.04 0.45 -0.10 -0.36 0.00 0.00 0.00 174.94 174.98 3hxu s PHE 185 N 0.75 2.76 -0.14 3.97 0.40 0.11 -0.36 117.98 125.46 3hxu s PHE 185 Ca -0.00 -0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3hxu s PHE 185 Cb -0.14 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 3hxu s PHE 185 CO 0.02 0.38 -0.14 -0.47 0.70 0.00 0.00 175.22 175.71 3hxu s TYR 186 N -1.10 2.80 -0.52 0.36 5.04 -0.14 -1.09 117.35 122.70 3hxu s TYR 186 Ca 0.19 -0.81 -0.27 0.00 -2.44 0.00 0.00 57.07 53.74 3hxu s TYR 186 Cb -0.11 -1.87 0.03 0.00 0.35 0.00 0.00 41.96 40.36 3hxu s TYR 186 CO 0.10 -0.33 1.06 0.34 -1.34 0.00 0.00 175.55 175.38 3hxu s ASP 187 N 0.59 6.49 0.25 4.32 2.15 -0.35 -1.35 116.67 128.77 3hxu s ASP 187 Ca -0.08 0.12 0.25 0.00 0.43 0.00 0.00 52.55 53.26 3hxu s ASP 187 Cb -0.16 -2.50 0.92 0.00 -0.30 0.00 0.00 42.92 40.88 3hxu s ASP 187 CO 0.03 -1.26 1.75 1.41 -0.17 0.00 0.00 175.17 176.93 3hxu n HIS 188 N 7.75 0.91 0.00 -5.34 8.25 0.62 -4.97 115.22 122.44 3hxu n HIS 188 Ca 0.07 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 3hxu n HIS 188 Cb 0.49 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.58 3hxu n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hxu n GLY 189 N 0.53 3.44 0.00 -1.41 0.00 -1.26 -4.86 105.19 101.63 3hxu n GLY 189 Ca 0.03 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.25 3hxu n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxu n ASP 190 N 0.00 0.00 -0.11 1.61 5.68 -1.26 -1.57 116.55 120.90 3hxu n ASP 190 Ca 0.00 -0.73 0.14 0.00 -0.50 0.00 0.00 54.79 53.69 3hxu n ASP 190 Cb 0.00 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.49 3hxu n ASP 190 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hxu n HIS 191 N -0.90 0.00 -4.48 2.11 1.44 -1.26 -4.79 115.22 107.34 3hxu n HIS 191 Ca 0.12 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.48 3hxu n HIS 191 Cb 0.05 -0.22 -0.10 0.00 0.12 0.00 0.00 29.99 29.84 3hxu n HIS 191 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hxu s ILE 192 N -2.62 4.06 0.30 0.61 -1.09 -0.61 -5.10 121.20 116.75 3hxu s ILE 192 Ca 0.23 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 58.02 3hxu s ILE 192 Cb 0.19 -2.69 -0.10 0.00 -1.58 0.00 0.00 42.46 38.29 3hxu s ILE 192 CO 0.53 0.60 1.18 0.86 -1.23 0.00 0.00 174.94 176.88 3hxu s TRP 193 N -0.84 3.37 0.00 3.97 -0.00 -1.26 -4.72 118.94 119.46 3hxu s TRP 193 Ca 0.13 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.81 3hxu s TRP 193 Cb -0.11 -3.44 0.00 0.00 -0.00 0.00 0.00 33.47 29.92 3hxu s TRP 193 CO 0.02 -1.07 0.00 0.41 -0.00 0.00 0.00 176.95 176.31 3hxu n GLY 194 N 1.04 4.35 3.62 5.86 0.00 -1.26 -2.87 105.19 115.93 3hxu n GLY 194 Ca -0.01 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 3hxu n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxu s GLY 195 N 0.00 2.55 0.94 -0.02 0.00 0.61 -4.84 107.32 106.57 3hxu s GLY 195 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 3hxu s GLY 195 CO 0.00 -2.06 1.09 2.56 0.00 0.00 0.00 173.10 174.69 3hxu s PRO 196 N -3.78 0.88 0.33 2.90 0.04 -1.26 -3.98 135.00 130.14 3hxu s PRO 196 Ca 0.28 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 3hxu s PRO 196 Cb 0.08 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.72 3hxu s PRO 196 CO 0.14 -2.48 1.17 -2.30 0.04 0.00 0.00 177.00 173.57 3hxu n PRO 197 N -4.04 1.79 0.00 0.56 -0.02 -1.26 -1.86 135.00 130.17 3hxu n PRO 197 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3hxu n PRO 197 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3hxu n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxu n GLY 198 N 0.96 2.83 3.90 -1.23 0.00 -1.26 -5.00 105.19 105.38 3hxu n GLY 198 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3hxu n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxu s SER 199 N -1.47 5.78 0.52 1.61 1.04 -0.78 -4.97 113.70 115.43 3hxu s SER 199 Ca 0.00 0.96 0.19 0.00 0.48 0.00 0.00 55.95 57.58 3hxu s SER 199 Cb 0.00 -1.97 1.30 0.00 0.10 0.00 0.00 66.02 65.45 3hxu s SER 199 CO 0.00 -1.01 2.09 -0.65 0.98 0.00 0.00 173.24 174.65 3hxu h PRO 200 N -0.23 0.02 -0.66 4.02 0.11 -1.96 -2.21 132.00 131.08 3hxu h PRO 200 Ca -0.45 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3hxu h PRO 200 Cb 1.24 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 3hxu h PRO 200 CO 0.62 0.01 0.24 0.39 -0.21 0.00 0.00 178.00 179.04 3hxu n GLU 201 N -4.48 3.30 0.29 1.05 4.71 -1.26 -4.64 120.64 119.61 3hxu n GLU 201 Ca 0.02 -3.07 0.15 0.00 -0.01 0.00 0.00 57.16 54.24 3hxu n GLU 201 Cb 0.27 -2.13 0.89 0.00 -1.01 0.00 0.00 31.44 29.46 3hxu n GLU 201 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 3hxu h GLU 202 N 2.24 0.00 0.00 3.49 4.11 -1.52 0.19 114.58 123.08 3hxu h GLU 202 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3hxu h GLU 202 Cb 2.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.46 3hxu h GLU 202 CO 0.68 0.01 0.00 -3.47 0.07 0.00 0.00 179.01 176.29 3hxu n ASP 203 N -3.88 0.00 -4.64 3.06 2.03 -1.26 -4.75 116.55 107.12 3hxu n ASP 203 Ca -0.03 0.28 -0.30 0.00 0.52 0.00 0.00 54.79 55.26 3hxu n ASP 203 Cb 0.09 -0.41 0.18 0.00 -0.72 0.00 0.00 41.12 40.26 3hxu n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hxu s GLY 204 N -2.83 1.63 0.00 0.27 0.00 -0.90 -4.93 107.32 100.56 3hxu s GLY 204 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 44.72 45.14 3hxu s GLY 204 CO 0.40 0.71 1.20 1.22 0.00 0.00 0.00 173.10 176.62 3hxu n ASP 205 N -4.31 1.40 0.02 1.64 8.00 -1.18 -4.32 116.55 117.80 3hxu n ASP 205 Ca 0.08 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.50 3hxu n ASP 205 Cb 0.54 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 3hxu n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxu h ARG 206 N 1.54 -0.16 -4.37 -1.24 2.43 -1.81 -3.41 114.38 107.36 3hxu h ARG 206 Ca 0.00 0.01 -0.73 0.00 -0.81 0.00 0.00 59.98 58.45 3hxu h ARG 206 Cb 0.35 0.04 -0.22 0.00 -0.42 0.00 0.00 29.97 29.72 3hxu h ARG 206 CO 0.00 0.25 -0.11 0.71 -1.51 0.00 0.00 179.97 179.31 3hxu s TYR 207 N -2.81 3.15 -0.15 2.20 2.02 -1.26 -0.28 117.35 120.23 3hxu s TYR 207 Ca -0.11 -1.09 -0.07 0.00 -0.37 0.00 0.00 57.07 55.44 3hxu s TYR 207 Cb -0.00 -3.77 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 3hxu s TYR 207 CO 0.39 -1.08 0.10 0.42 -1.57 0.00 0.00 175.55 173.80 3hxu s ILE 208 N 2.02 5.13 -0.26 2.71 1.01 -0.46 -4.85 121.20 126.51 3hxu s ILE 208 Ca 0.07 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3hxu s ILE 208 Cb -0.27 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3hxu s ILE 208 CO 0.05 0.54 1.50 -0.70 0.00 0.00 0.00 174.94 176.34 3hxu s GLU 209 N -0.37 3.82 -0.23 2.79 2.12 -1.26 -0.97 118.70 124.60 3hxu s GLU 209 Ca 0.10 1.49 -0.14 0.00 0.36 0.00 0.00 54.97 56.78 3hxu s GLU 209 Cb -0.12 -3.98 -0.17 0.00 0.26 0.00 0.00 34.13 30.12 3hxu s GLU 209 CO 0.01 -1.25 -0.02 -0.89 -0.54 0.00 0.00 175.26 172.57 3hxu n ILE 210 N 6.38 1.56 -3.69 -3.70 2.08 0.51 -4.86 119.36 117.64 3hxu n ILE 210 Ca 0.17 -0.30 -0.18 0.00 0.56 0.00 0.00 62.75 63.00 3hxu n ILE 210 Cb 0.46 -1.87 -0.17 0.00 -0.75 0.00 0.00 39.64 37.31 3hxu n ILE 210 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3hxu s TRP 211 N -2.46 -0.02 -0.18 1.39 -0.11 -1.11 -2.62 118.94 113.82 3hxu s TRP 211 Ca -0.32 0.35 -0.07 0.00 1.22 0.00 0.00 56.10 57.27 3hxu s TRP 211 Cb 0.10 -0.36 -0.04 0.00 -1.50 0.00 0.00 33.47 31.67 3hxu s TRP 211 CO 0.58 -0.19 0.06 1.21 -4.62 0.00 0.00 176.95 173.99 3hxu s ASN 212 N 1.95 5.59 -0.28 5.86 2.47 -0.07 -0.74 114.94 129.72 3hxu s ASN 212 Ca 0.01 0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.36 3hxu s ASN 212 Cb -0.12 -1.96 0.05 0.00 -1.45 0.00 0.00 41.25 37.77 3hxu s ASN 212 CO -0.04 0.16 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.82 3hxu s ILE 213 N 0.43 2.65 -0.19 -5.21 1.01 0.16 -0.87 121.20 119.17 3hxu s ILE 213 Ca 0.03 -1.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 3hxu s ILE 213 Cb -0.13 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3hxu s ILE 213 CO 0.01 -0.05 0.15 -0.69 0.00 0.00 0.00 174.94 174.36 3hxu s VAL 214 N 1.20 5.40 -0.81 2.92 1.01 0.12 -0.74 120.40 129.49 3hxu s VAL 214 Ca -0.06 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3hxu s VAL 214 Cb -0.20 -3.49 0.17 0.00 0.00 0.00 0.00 36.38 32.86 3hxu s VAL 214 CO -0.03 0.43 0.86 -0.36 0.00 0.00 0.00 175.10 176.00 3hxu s PHE 215 N 0.37 3.43 -0.06 5.22 0.08 0.31 -1.22 117.98 126.11 3hxu s PHE 215 Ca 0.09 -1.63 -0.30 0.00 0.12 0.00 0.00 56.93 55.22 3hxu s PHE 215 Cb -0.11 -3.99 -0.06 0.00 -0.57 0.00 0.00 43.02 38.29 3hxu s PHE 215 CO -0.01 -1.19 1.78 -1.64 -0.10 0.00 0.00 175.22 174.06 3hxu s MET 216 N 1.37 4.04 0.00 0.44 -1.94 -0.02 -3.60 119.30 119.58 3hxu s MET 216 Ca 0.21 2.23 0.00 0.00 -1.71 0.00 0.00 55.69 56.42 3hxu s MET 216 Cb -0.11 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.65 3hxu s MET 216 CO -0.06 -1.03 0.00 1.04 -0.01 0.00 0.00 175.02 174.96 3hxu n GLN 217 N 7.44 2.18 -4.25 2.03 1.13 -0.47 -1.73 117.38 123.71 3hxu n GLN 217 Ca 0.19 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.11 3hxu n GLN 217 Cb 0.43 -0.75 -0.10 0.00 0.11 0.00 0.00 30.24 29.93 3hxu n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hxu s PHE 218 N -1.41 1.25 -0.29 1.08 0.08 -0.55 -0.39 117.98 117.75 3hxu s PHE 218 Ca 0.00 -0.77 -0.03 0.00 0.12 0.00 0.00 56.93 56.25 3hxu s PHE 218 Cb 0.00 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 3hxu s PHE 218 CO 0.00 0.07 0.01 1.21 -0.10 0.00 0.00 175.22 176.41 3hxu s ASN 219 N -3.16 4.79 0.22 1.36 2.47 0.50 -0.87 114.94 120.25 3hxu s ASN 219 Ca 0.16 -1.03 -0.30 0.00 0.42 0.00 0.00 52.86 52.12 3hxu s ASN 219 Cb 0.03 -1.74 -0.08 0.00 -1.45 0.00 0.00 41.25 38.00 3hxu s ASN 219 CO 0.00 -0.21 1.08 -0.60 -3.72 0.00 0.00 177.10 173.65 3hxu s ARG 220 N 1.34 4.64 0.43 0.43 3.52 -0.45 -1.75 118.95 127.11 3hxu s ARG 220 Ca -0.02 1.72 0.08 0.00 -0.13 0.00 0.00 55.73 57.39 3hxu s ARG 220 Cb -0.18 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 3hxu s ARG 220 CO -0.01 0.17 0.57 -0.65 -0.81 0.00 0.00 175.30 174.57 3hxu s GLN 221 N -0.84 2.78 0.44 5.12 -1.52 -0.54 -2.19 119.66 122.90 3hxu s GLN 221 Ca 0.47 -1.28 0.11 0.00 -1.95 0.00 0.00 55.36 52.70 3hxu s GLN 221 Cb -0.30 -2.73 0.99 0.00 -0.22 0.00 0.00 33.01 30.75 3hxu s GLN 221 CO 0.37 -0.30 2.07 0.00 -0.25 0.00 0.00 175.29 177.17 3hxu h ALA 222 N 0.64 1.78 0.00 6.09 0.00 -1.89 -1.72 119.26 124.16 3hxu h ALA 222 Ca -0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3hxu h ALA 222 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hxu h ALA 222 CO 0.46 0.19 -0.23 -0.44 0.00 0.00 0.00 179.25 179.23 3hxu h ASP 223 N 0.31 0.00 0.00 0.00 3.32 -1.95 -3.46 116.42 114.64 3hxu h ASP 223 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hxu h ASP 223 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hxu h ASP 223 CO -0.01 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 3hxu n GLY 224 N -0.23 0.75 3.80 2.75 0.00 -0.65 -5.10 105.19 106.51 3hxu n GLY 224 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3hxu n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxu s THR 225 N -2.00 4.15 -0.36 2.61 -4.23 -1.26 -4.77 115.64 109.77 3hxu s THR 225 Ca 0.00 1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.88 3hxu s THR 225 Cb 0.00 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.15 3hxu s THR 225 CO 0.00 -0.14 0.22 -0.04 -0.54 0.00 0.00 174.62 174.13 3hxu s MET 226 N -2.79 3.07 -0.21 3.99 -1.94 -1.26 -1.47 119.30 118.69 3hxu s MET 226 Ca 0.59 -0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 53.52 3hxu s MET 226 Cb -0.15 -3.76 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 3hxu s MET 226 CO 0.19 -0.61 0.25 -2.00 -0.01 0.00 0.00 175.02 172.84 3hxu s GLU 227 N 1.62 4.14 0.35 2.03 2.12 -0.72 -4.90 118.70 123.35 3hxu s GLU 227 Ca 0.04 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 3hxu s GLU 227 Cb -0.18 -3.51 -0.11 0.00 0.26 0.00 0.00 34.13 30.58 3hxu s GLU 227 CO 0.08 0.08 1.49 -0.35 -0.54 0.00 0.00 175.26 176.02 3hxu n PRO 228 N 4.16 2.61 -2.16 4.30 -0.04 -1.26 0.19 135.00 142.81 3hxu n PRO 228 Ca -0.13 0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 63.92 3hxu n PRO 228 Cb 0.52 -2.65 0.01 0.00 -0.04 0.00 0.00 33.50 31.34 3hxu n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hxu s LEU 229 N -1.53 3.64 0.30 1.53 1.43 0.47 -4.67 118.68 119.85 3hxu s LEU 229 Ca 0.56 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 3hxu s LEU 229 Cb -0.49 -4.56 0.44 0.00 0.03 0.00 0.00 46.19 41.61 3hxu s LEU 229 CO 0.60 -1.21 1.96 -0.65 0.23 0.00 0.00 176.35 177.28 3hxu h PRO 230 N 0.85 1.09 -3.91 1.29 0.11 -1.83 -3.41 132.00 126.19 3hxu h PRO 230 Ca -0.49 -0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.08 3hxu h PRO 230 Cb 1.24 -0.24 -0.38 0.00 0.11 0.00 0.00 31.00 31.73 3hxu h PRO 230 CO 0.57 0.72 -0.78 0.15 -0.21 0.00 0.00 178.00 178.45 3hxu s LYS 231 N -5.91 0.96 0.21 1.05 1.02 -1.26 -5.11 119.74 110.69 3hxu s LYS 231 Ca -0.12 -0.03 -0.32 0.00 0.02 0.00 0.00 55.97 55.52 3hxu s LYS 231 Cb 0.18 -1.21 -0.14 0.00 -0.52 0.00 0.00 37.83 36.14 3hxu s LYS 231 CO 0.79 -0.29 1.40 -2.30 -0.92 0.00 0.00 175.35 174.04 3hxu n PRO 232 N 5.06 1.90 -4.30 -1.68 -0.02 -1.26 -4.69 135.00 130.01 3hxu n PRO 232 Ca -0.09 0.68 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 3hxu n PRO 232 Cb 0.50 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3hxu n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxu s SER 233 N 0.38 1.37 -0.07 2.55 0.01 -0.71 -4.15 113.70 113.07 3hxu s SER 233 Ca 0.72 -1.61 0.04 0.00 1.31 0.00 0.00 55.95 56.41 3hxu s SER 233 Cb -0.70 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 3hxu s SER 233 CO 0.48 -0.95 -0.21 -0.69 0.41 0.00 0.00 173.24 172.28 3hxu s VAL 234 N -3.64 1.78 -0.19 3.43 1.01 -0.47 -0.84 120.40 121.48 3hxu s VAL 234 Ca 0.38 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3hxu s VAL 234 Cb 0.04 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.94 3hxu s VAL 234 CO 0.20 0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 175.17 3hxu s ASP 235 N 0.24 3.02 0.24 3.32 2.15 -0.36 -1.44 116.67 123.85 3hxu s ASP 235 Ca -0.12 -0.82 0.11 0.00 0.43 0.00 0.00 52.55 52.15 3hxu s ASP 235 Cb -0.16 -0.80 -0.05 0.00 -0.30 0.00 0.00 42.92 41.62 3hxu s ASP 235 CO 0.06 -0.25 -0.16 0.42 -0.17 0.00 0.00 175.17 175.07 3hxu s THR 236 N 1.70 2.74 -0.23 1.71 -4.23 -0.82 0.16 115.64 116.66 3hxu s THR 236 Ca -0.01 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 3hxu s THR 236 Cb -0.17 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.36 3hxu s THR 236 CO -0.07 -0.28 0.54 -0.83 -0.54 0.00 0.00 174.62 173.44 3hxu s GLY 237 N -3.23 -0.50 -0.09 3.99 0.00 -0.05 -3.66 107.32 103.77 3hxu s GLY 237 Ca 0.27 1.95 0.04 0.00 0.00 0.00 0.00 44.72 46.98 3hxu s GLY 237 CO 0.15 2.31 -0.23 -0.29 0.00 0.00 0.00 173.10 175.04 3hxu s MET 238 N 2.00 2.88 -0.08 2.90 1.75 0.18 -0.89 119.30 128.03 3hxu s MET 238 Ca -0.07 -0.83 -0.29 0.00 -1.25 0.00 0.00 55.69 53.24 3hxu s MET 238 Cb -0.09 -2.20 -0.05 0.00 2.84 0.00 0.00 34.83 35.33 3hxu s MET 238 CO -0.16 0.18 1.74 0.20 -0.65 0.00 0.00 175.02 176.33 3hxu s GLY 239 N 0.34 1.38 0.22 2.11 0.00 -1.08 0.32 107.32 110.62 3hxu s GLY 239 Ca -0.18 0.90 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 3hxu s GLY 239 CO 0.08 3.17 1.88 -2.00 0.00 0.00 0.00 173.10 176.23 3hxu h LEU 240 N 10.97 0.91 -0.64 0.66 5.85 -1.59 -1.80 115.31 129.67 3hxu h LEU 240 Ca -0.40 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 3hxu h LEU 240 Cb 1.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3hxu h LEU 240 CO 0.96 0.64 -0.17 -0.33 -0.34 0.00 0.00 178.44 179.20 3hxu h GLU 241 N 1.07 0.88 -0.31 1.25 3.07 -1.90 -0.71 114.58 117.94 3hxu h GLU 241 Ca 0.31 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 3hxu h GLU 241 Cb -0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3hxu h GLU 241 CO -0.09 0.99 -0.18 0.00 -1.40 0.00 0.00 179.01 178.33 3hxu h ARG 242 N 0.78 0.67 -0.07 2.33 3.08 -1.87 -1.66 114.38 117.64 3hxu h ARG 242 Ca 0.11 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 3hxu h ARG 242 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3hxu h ARG 242 CO 0.05 0.90 -0.56 0.97 -1.07 0.00 0.00 179.97 180.26 3hxu h ILE 243 N 0.42 1.37 -0.69 2.04 6.09 -1.31 -2.64 117.51 122.79 3hxu h ILE 243 Ca 0.07 -1.89 -0.02 0.00 -1.37 0.00 0.00 64.86 61.65 3hxu h ILE 243 Cb 0.72 1.94 -0.03 0.00 0.47 0.00 0.00 36.82 39.92 3hxu h ILE 243 CO 0.05 0.56 0.34 0.00 -3.07 0.00 0.00 178.15 176.03 3hxu h ALA 244 N 1.24 1.31 -0.29 0.18 0.00 -1.03 -0.78 119.26 119.89 3hxu h ALA 244 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hxu h ALA 244 Cb 1.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hxu h ALA 244 CO 0.09 0.54 0.09 0.00 0.00 0.00 0.00 179.25 179.97 3hxu h ALA 245 N 1.41 0.38 -0.04 0.00 0.00 -0.99 0.11 119.26 120.15 3hxu h ALA 245 Ca 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hxu h ALA 245 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hxu h ALA 245 CO -0.03 0.01 -0.06 0.28 0.00 0.00 0.00 179.25 179.45 3hxu h VAL 246 N 0.32 0.83 0.00 0.00 2.07 -1.23 -1.47 116.25 116.77 3hxu h VAL 246 Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 3hxu h VAL 246 Cb 0.24 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hxu h VAL 246 CO -0.00 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.21 3hxu h LEU 247 N -0.09 0.00 -2.12 2.57 3.38 -0.99 -2.53 115.31 115.52 3hxu h LEU 247 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hxu h LEU 247 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hxu h LEU 247 CO -0.09 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3hxu n GLN 248 N -3.78 2.35 -2.87 1.13 6.02 0.01 -4.65 117.38 115.59 3hxu n GLN 248 Ca -0.01 -2.08 -0.18 0.00 -0.01 0.00 0.00 57.00 54.72 3hxu n GLN 248 Cb 0.40 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.22 3hxu n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxu n HIS 249 N 1.21 -1.57 -4.60 1.08 8.25 -0.95 -5.02 115.22 113.62 3hxu n HIS 249 Ca 0.20 0.42 -0.27 0.00 -0.26 0.00 0.00 57.72 57.81 3hxu n HIS 249 Cb 0.50 -3.78 -0.11 0.00 1.12 0.00 0.00 29.99 27.72 3hxu n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxu s VAL 250 N -3.05 1.80 -0.09 1.59 -7.23 -0.60 -5.06 120.40 107.76 3hxu s VAL 250 Ca 0.24 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.55 3hxu s VAL 250 Cb -0.11 -2.91 -0.20 0.00 0.56 0.00 0.00 36.38 33.72 3hxu s VAL 250 CO 0.30 0.00 0.17 0.59 -0.31 0.00 0.00 175.10 175.85 3hxu n ASN 251 N -0.94 1.51 -4.72 4.85 5.03 -1.26 -4.14 115.26 115.59 3hxu n ASN 251 Ca -0.05 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.06 3hxu n ASN 251 Cb 0.67 1.20 -0.09 0.00 -1.02 0.00 0.00 39.78 40.54 3hxu n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hxu s SER 252 N -4.33 5.38 0.44 6.41 0.15 -1.26 -4.95 113.70 115.53 3hxu s SER 252 Ca -0.06 0.13 0.17 0.00 0.70 0.00 0.00 55.95 56.89 3hxu s SER 252 Cb 0.06 -1.51 1.10 0.00 -1.71 0.00 0.00 66.02 63.96 3hxu s SER 252 CO 0.60 0.34 1.90 0.78 1.20 0.00 0.00 173.24 178.06 3hxu h ASN 253 N 4.73 0.36 0.27 5.45 4.21 -1.39 -1.56 115.58 127.65 3hxu h ASN 253 Ca -0.50 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.03 3hxu h ASN 253 Cb 1.19 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 3hxu h ASN 253 CO 0.57 0.17 0.00 -1.22 -1.29 0.00 0.00 177.43 175.66 3hxu n TYR 254 N -4.47 0.00 0.96 1.19 4.01 -1.26 -2.49 117.16 115.10 3hxu n TYR 254 Ca 0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.01 3hxu n TYR 254 Cb 0.60 -0.15 0.10 0.00 -0.31 0.00 0.00 39.34 39.57 3hxu n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxu n ASP 255 N -1.15 2.94 -4.78 7.72 8.00 -0.59 -3.79 116.55 124.90 3hxu n ASP 255 Ca 0.17 -1.97 -0.30 0.00 0.71 0.00 0.00 54.79 53.40 3hxu n ASP 255 Cb 0.16 -0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.35 3hxu n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxu s ILE 256 N -1.93 3.17 0.22 0.53 -4.36 -1.04 -4.75 121.20 113.05 3hxu s ILE 256 Ca 0.27 0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 60.97 3hxu s ILE 256 Cb 0.19 -3.00 0.18 0.00 1.25 0.00 0.00 42.46 41.08 3hxu s ILE 256 CO 0.29 -0.49 1.72 -2.24 0.24 0.00 0.00 174.94 174.46 3hxu h ASP 257 N -1.16 0.17 -0.07 4.36 2.03 -1.93 -0.87 116.42 118.94 3hxu h ASP 257 Ca -0.46 0.10 0.03 0.00 -0.73 0.00 0.00 57.03 55.97 3hxu h ASP 257 Cb 1.26 0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 39.82 3hxu h ASP 257 CO 0.56 0.08 -0.15 0.25 -1.03 0.00 0.00 179.24 178.95 3hxu h LEU 258 N 0.37 -0.45 -0.33 0.15 6.46 -1.92 -2.55 115.31 117.04 3hxu h LEU 258 Ca 0.35 0.08 -0.18 0.00 -0.12 0.00 0.00 57.88 58.01 3hxu h LEU 258 Cb 0.51 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 3hxu h LEU 258 CO -0.38 -0.20 -0.84 -0.26 -0.62 0.00 0.00 178.44 176.14 3hxu h PHE 259 N -0.21 0.02 -0.47 1.25 -1.00 -1.71 -2.46 116.94 112.36 3hxu h PHE 259 Ca 0.07 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.86 3hxu h PHE 259 Cb 0.32 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.85 3hxu h PHE 259 CO -0.24 0.84 0.29 0.00 -1.61 0.00 0.00 178.31 177.60 3hxu h ARG 260 N 0.01 0.57 -0.37 1.51 3.08 -1.05 0.18 114.38 118.31 3hxu h ARG 260 Ca -0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3hxu h ARG 260 Cb 1.48 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3hxu h ARG 260 CO 0.11 0.38 -0.04 1.15 -1.07 0.00 0.00 179.97 180.50 3hxu h THR 261 N 0.59 1.27 -0.49 2.04 2.02 -1.44 -2.44 112.91 114.46 3hxu h THR 261 Ca 0.18 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 3hxu h THR 261 Cb -0.02 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3hxu h THR 261 CO -0.06 0.36 0.01 0.25 0.37 0.00 0.00 175.52 176.44 3hxu h LEU 262 N 0.48 0.83 -1.14 2.58 5.85 -1.21 -2.53 115.31 120.18 3hxu h LEU 262 Ca 0.10 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3hxu h LEU 262 Cb 0.53 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3hxu h LEU 262 CO 0.03 0.93 0.01 0.40 -0.34 0.00 0.00 178.44 179.47 3hxu h ILE 263 N 0.71 1.21 -0.88 4.05 2.04 -0.66 -1.25 117.51 122.74 3hxu h ILE 263 Ca 0.14 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3hxu h ILE 263 Cb 0.49 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3hxu h ILE 263 CO 0.02 0.29 0.54 1.56 0.00 0.00 0.00 178.15 180.57 3hxu h GLN 264 N 0.59 1.18 -0.43 2.37 4.20 -1.25 -1.46 115.11 120.30 3hxu h GLN 264 Ca 0.12 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3hxu h GLN 264 Cb 0.35 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3hxu h GLN 264 CO 0.01 0.81 -0.08 0.00 -0.67 0.00 0.00 178.83 178.91 3hxu h ALA 265 N 1.30 1.05 -0.51 3.87 0.00 -0.93 -1.99 119.26 122.03 3hxu h ALA 265 Ca 0.32 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hxu h ALA 265 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hxu h ALA 265 CO -0.06 0.58 0.12 0.28 0.00 0.00 0.00 179.25 180.17 3hxu h VAL 266 N 0.69 1.24 -0.80 0.00 2.07 -0.81 -2.26 116.25 116.39 3hxu h VAL 266 Ca 0.12 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hxu h VAL 266 Cb 0.54 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3hxu h VAL 266 CO 0.03 0.31 0.44 0.00 0.02 0.00 0.00 177.57 178.37 3hxu h ALA 267 N 1.00 1.02 -0.18 1.67 0.00 -1.09 -1.95 119.26 119.72 3hxu h ALA 267 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hxu h ALA 267 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hxu h ALA 267 CO 0.00 0.53 0.08 -0.22 0.00 0.00 0.00 179.25 179.64 3hxu h LYS 268 N 1.11 0.17 0.00 0.00 3.64 -1.11 0.41 116.57 120.78 3hxu h LYS 268 Ca 0.28 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3hxu h LYS 268 Cb 0.03 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3hxu h LYS 268 CO -0.05 0.12 -0.19 -0.39 -2.27 0.00 0.00 179.45 176.67 3hxu h VAL 269 N 0.18 0.27 0.00 2.00 -1.51 -1.27 -3.25 116.25 112.68 3hxu h VAL 269 Ca 0.08 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 3hxu h VAL 269 Cb 0.03 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3hxu h VAL 269 CO -0.06 0.16 -1.52 0.35 -1.23 0.00 0.00 177.57 175.27 3hxu n THR 270 N -3.13 0.22 -0.78 7.19 -2.24 -0.75 -4.82 114.28 109.98 3hxu n THR 270 Ca 0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3hxu n THR 270 Cb 0.60 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3hxu n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxu n GLY 271 N 1.26 0.69 3.78 3.38 0.00 0.09 -3.31 105.19 111.07 3hxu n GLY 271 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3hxu n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxu s ALA 272 N -2.47 2.69 -0.01 4.61 0.00 -0.92 -4.97 121.76 120.69 3hxu s ALA 272 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3hxu s ALA 272 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3hxu s ALA 272 CO 0.00 -0.79 0.00 0.25 0.00 0.00 0.00 175.76 175.22 3hxu n THR 273 N -1.42 0.07 -2.48 0.00 -2.24 -1.26 -4.61 114.28 102.34 3hxu n THR 273 Ca 0.11 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 3hxu n THR 273 Cb 0.51 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 3hxu n THR 273 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hxu s ASP 274 N -3.11 6.07 0.00 3.42 2.15 -1.26 -4.86 116.67 119.09 3hxu s ASP 274 Ca -0.01 -0.44 0.17 0.00 0.43 0.00 0.00 52.55 52.70 3hxu s ASP 274 Cb 0.00 -2.56 0.98 0.00 -0.30 0.00 0.00 42.92 41.05 3hxu s ASP 274 CO 0.04 -1.89 1.40 0.18 -0.17 0.00 0.00 175.17 174.74 3hxu n LEU 275 N 9.80 0.00 -0.10 -1.34 4.77 -1.26 -2.39 117.00 126.48 3hxu n LEU 275 Ca 0.08 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 3hxu n LEU 275 Cb 0.49 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3hxu n LEU 275 CO 0.70 -0.01 0.02 -1.54 -1.33 0.00 0.00 177.39 175.24 3hxu n SER 276 N -1.02 1.20 -4.73 -1.43 3.41 -1.26 -4.96 113.62 104.84 3hxu n SER 276 Ca 0.12 -1.10 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 3hxu n SER 276 Cb 0.06 0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 3hxu n SER 276 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hxu s ASN 277 N -2.90 6.49 0.54 4.04 3.84 -1.01 -4.89 114.94 121.06 3hxu s ASN 277 Ca 0.10 2.76 0.30 0.00 0.21 0.00 0.00 52.86 56.23 3hxu s ASN 277 Cb 0.16 -2.61 1.52 0.00 -0.55 0.00 0.00 41.25 39.77 3hxu s ASN 277 CO 0.81 -0.87 2.08 0.07 -2.79 0.00 0.00 177.10 176.40 3hxu h LYS 278 N 6.21 0.00 -0.02 0.43 2.10 -1.92 -2.40 116.57 120.98 3hxu h LYS 278 Ca -0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.18 3hxu h LYS 278 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3hxu h LYS 278 CO 0.89 0.10 -0.16 0.77 -2.00 0.00 0.00 179.45 179.05 3hxu h SER 279 N 0.00 0.02 -0.65 7.07 0.02 -1.94 -0.92 113.55 117.15 3hxu h SER 279 Ca -0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3hxu h SER 279 Cb 0.34 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3hxu h SER 279 CO 0.01 0.18 0.14 -0.07 -1.14 0.00 0.00 176.83 175.95 3hxu h LEU 280 N 0.02 1.01 -0.37 5.07 3.38 -1.80 -1.27 115.31 121.34 3hxu h LEU 280 Ca 0.00 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 3hxu h LEU 280 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hxu h LEU 280 CO 0.02 0.99 -0.31 0.03 0.09 0.00 0.00 178.44 179.26 3hxu h ARG 281 N 0.98 0.86 -0.52 1.13 3.08 -1.48 -1.17 114.38 117.27 3hxu h ARG 281 Ca 0.20 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3hxu h ARG 281 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3hxu h ARG 281 CO 0.01 1.08 0.33 0.28 -1.07 0.00 0.00 179.97 180.59 3hxu h VAL 282 N 0.67 1.15 -0.38 2.04 2.07 -1.08 -0.85 116.25 119.86 3hxu h VAL 282 Ca 0.07 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3hxu h VAL 282 Cb 0.89 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3hxu h VAL 282 CO 0.08 0.15 -0.21 0.40 0.02 0.00 0.00 177.57 178.01 3hxu h ILE 283 N 0.70 1.28 -0.86 4.57 2.04 -1.20 0.06 117.51 124.10 3hxu h ILE 283 Ca 0.19 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.72 3hxu h ILE 283 Cb -0.04 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3hxu h ILE 283 CO -0.04 0.45 0.56 0.00 0.00 0.00 0.00 178.15 179.13 3hxu h ALA 284 N 0.80 1.12 -0.13 1.87 0.00 -1.07 -1.11 119.26 120.74 3hxu h ALA 284 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hxu h ALA 284 Cb 0.77 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hxu h ALA 284 CO 0.06 0.44 0.03 0.22 0.00 0.00 0.00 179.25 180.00 3hxu h ASP 285 N 1.12 0.20 -0.07 0.00 3.58 -0.98 -3.29 116.42 116.98 3hxu h ASP 285 Ca 0.33 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 3hxu h ASP 285 Cb -0.05 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3hxu h ASP 285 CO -0.10 0.39 -0.18 0.45 -2.88 0.00 0.00 179.24 176.92 3hxu h HIS 286 N 0.01 0.49 -0.28 0.28 3.86 -0.53 -2.16 115.15 116.82 3hxu h HIS 286 Ca 0.04 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 3hxu h HIS 286 Cb 0.27 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3hxu h HIS 286 CO 0.01 0.61 0.01 0.97 0.86 0.00 0.00 177.93 180.38 3hxu h ILE 287 N 0.41 1.17 0.20 2.45 6.09 -1.30 -0.29 117.51 126.24 3hxu h ILE 287 Ca 0.07 -0.65 -0.01 0.00 -1.37 0.00 0.00 64.86 62.90 3hxu h ILE 287 Cb 0.55 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3hxu h ILE 287 CO 0.04 0.22 -0.10 0.03 -3.07 0.00 0.00 178.15 175.27 3hxu h ARG 288 N 0.40 -0.26 -0.40 2.19 3.08 -1.46 0.04 114.38 117.97 3hxu h ARG 288 Ca 0.09 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3hxu h ARG 288 Cb 0.26 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hxu h ARG 288 CO 0.01 0.00 0.12 0.66 -1.07 0.00 0.00 179.97 179.68 3hxu h SER 289 N -0.51 0.58 -0.02 7.04 4.64 -1.41 -2.53 113.55 121.36 3hxu h SER 289 Ca -0.03 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hxu h SER 289 Cb 0.38 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hxu h SER 289 CO 0.05 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 3hxu h ALA 291 N 0.79 0.71 -0.25 0.00 0.00 -1.03 -2.36 119.26 117.11 3hxu h ALA 291 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 3hxu h ALA 291 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hxu h ALA 291 CO -0.00 0.43 -0.51 0.74 0.00 0.00 0.00 179.25 179.90 3hxu h PHE 292 N 0.77 0.89 -0.61 0.00 0.04 -1.47 -1.33 116.94 115.22 3hxu h PHE 292 Ca 0.17 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3hxu h PHE 292 Cb 0.36 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3hxu h PHE 292 CO 0.03 1.08 0.37 -0.07 -0.60 0.00 0.00 178.31 179.11 3hxu h LEU 293 N 0.56 0.74 -0.49 1.54 3.38 -1.21 -0.16 115.31 119.67 3hxu h LEU 293 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hxu h LEU 293 Cb 1.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3hxu h LEU 293 CO 0.11 0.59 0.13 0.40 0.09 0.00 0.00 178.44 179.76 3hxu h ILE 294 N 0.83 1.24 -0.30 1.22 2.04 -1.37 -0.82 117.51 120.35 3hxu h ILE 294 Ca 0.22 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3hxu h ILE 294 Cb -0.01 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3hxu h ILE 294 CO -0.04 0.29 0.20 0.00 0.00 0.00 0.00 178.15 178.61 3hxu h ALA 295 N 1.00 1.91 -0.37 1.87 0.00 -0.88 -1.24 119.26 121.54 3hxu h ALA 295 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hxu h ALA 295 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hxu h ALA 295 CO -0.00 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3hxu n ASP 296 N -4.49 2.26 0.00 0.00 8.00 -0.10 -4.93 116.55 117.29 3hxu n ASP 296 Ca 0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.59 3hxu n ASP 296 Cb 0.16 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3hxu n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxu n GLY 297 N 1.20 0.75 3.72 0.44 0.00 -0.47 -4.70 105.19 106.14 3hxu n GLY 297 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3hxu n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxu s VAL 298 N -2.00 4.67 -0.04 1.61 1.01 -0.36 -4.98 120.40 120.31 3hxu s VAL 298 Ca 0.00 1.99 0.05 0.00 0.00 0.00 0.00 61.98 64.02 3hxu s VAL 298 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3hxu s VAL 298 CO 0.00 0.27 -0.16 -0.04 0.00 0.00 0.00 175.10 175.16 3hxu s MET 299 N 0.37 2.40 0.33 2.72 -1.94 -1.26 -4.10 119.30 117.82 3hxu s MET 299 Ca 0.47 -0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 53.40 3hxu s MET 299 Cb -0.22 -2.31 -0.12 0.00 2.01 0.00 0.00 34.83 34.19 3hxu s MET 299 CO 0.28 0.61 1.47 -2.30 -0.01 0.00 0.00 175.02 175.07 3hxu n PRO 300 N 2.24 2.51 -2.59 2.03 -0.02 -1.26 -4.14 135.00 133.77 3hxu n PRO 300 Ca -0.17 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.15 3hxu n PRO 300 Cb 0.52 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 3hxu n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hxu n SER 301 N 1.21 -1.20 -1.41 2.55 3.41 -0.89 -4.95 113.62 112.35 3hxu n SER 301 Ca 0.05 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.95 3hxu n SER 301 Cb 0.37 1.99 0.33 0.00 -0.26 0.00 0.00 64.21 66.63 3hxu n SER 301 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hxu n ASN 302 N -1.22 4.71 -3.88 4.04 3.02 -1.26 -2.75 115.26 117.93 3hxu n ASN 302 Ca -0.04 -2.78 -0.11 0.00 -0.03 0.00 0.00 54.58 51.62 3hxu n ASN 302 Cb 0.33 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 3hxu n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxu s GLU 303 N -2.45 0.47 3.73 3.52 1.03 -1.26 -4.84 118.70 118.90 3hxu s GLU 303 Ca 0.48 -0.42 0.00 0.00 0.03 0.00 0.00 54.97 55.06 3hxu s GLU 303 Cb 0.35 0.19 0.00 0.00 -0.80 0.00 0.00 34.13 33.88 3hxu s GLU 303 CO 0.16 -0.11 0.00 0.09 -1.33 0.00 0.00 175.26 174.07 3hxu n ASN 304 N 1.46 0.00 -0.22 0.83 3.02 -1.26 -2.45 115.26 116.63 3hxu n ASN 304 Ca -0.23 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.25 3hxu n ASN 304 Cb 0.55 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.76 3hxu n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxu h ARG 305 N 0.00 0.94 -0.45 3.52 3.08 -1.95 -2.61 114.38 116.91 3hxu h ARG 305 Ca 0.00 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 59.92 3hxu h ARG 305 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hxu h ARG 305 CO 0.00 0.81 0.30 0.78 -1.07 0.00 0.00 179.97 180.79 3hxu h GLY 306 N 0.88 0.49 1.63 0.04 0.00 -1.64 -2.29 103.07 102.18 3hxu h GLY 306 Ca 0.21 -0.16 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 3hxu h GLY 306 CO -0.01 0.13 -0.92 -1.82 0.00 0.00 0.00 176.54 173.92 3hxu h TYR 307 N 0.41 0.50 -0.36 5.60 3.20 -1.14 -1.00 116.97 124.18 3hxu h TYR 307 Ca 0.19 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 3hxu h TYR 307 Cb 0.24 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3hxu h TYR 307 CO -0.00 1.09 0.15 0.28 -1.64 0.00 0.00 178.16 178.04 3hxu h VAL 308 N 0.19 1.19 -0.08 1.81 2.07 -1.29 0.11 116.25 120.24 3hxu h VAL 308 Ca -0.07 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3hxu h VAL 308 Cb 1.55 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3hxu h VAL 308 CO 0.15 0.21 -0.07 0.25 0.02 0.00 0.00 177.57 178.13 3hxu h LEU 309 N 0.44 -0.21 -0.49 2.57 5.85 -1.41 -1.56 115.31 120.51 3hxu h LEU 309 Ca 0.12 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3hxu h LEU 309 Cb 0.18 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3hxu h LEU 309 CO -0.01 -0.09 0.20 -0.09 -0.34 0.00 0.00 178.44 178.11 3hxu h ARG 310 N -0.08 0.38 -0.63 1.25 2.43 -1.02 -0.71 114.38 116.01 3hxu h ARG 310 Ca 0.05 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3hxu h ARG 310 Cb 0.16 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3hxu h ARG 310 CO -0.13 0.25 0.32 0.00 -1.51 0.00 0.00 179.97 178.91 3hxu h ARG 311 N 0.39 0.57 -0.26 0.20 3.08 -0.50 -1.05 114.38 116.81 3hxu h ARG 311 Ca 0.23 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 3hxu h ARG 311 Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hxu h ARG 311 CO -0.21 0.38 -0.26 0.82 -1.07 0.00 0.00 179.97 179.63 3hxu h ILE 312 N 0.59 1.31 -0.13 2.04 2.04 -0.75 -1.87 117.51 120.73 3hxu h ILE 312 Ca 0.29 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.76 3hxu h ILE 312 Cb 0.23 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3hxu h ILE 312 CO -0.21 0.45 -0.05 0.40 0.00 0.00 0.00 178.15 178.74 3hxu h ILE 313 N 0.37 0.82 -0.33 -0.67 2.04 -0.91 -1.38 117.51 117.44 3hxu h ILE 313 Ca 0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3hxu h ILE 313 Cb 0.82 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3hxu h ILE 313 CO 0.06 0.00 -0.13 0.03 0.00 0.00 0.00 178.15 178.12 3hxu h ARG 314 N -0.03 0.57 -0.66 2.37 3.08 -1.17 -0.12 114.38 118.41 3hxu h ARG 314 Ca 0.07 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3hxu h ARG 314 Cb 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3hxu h ARG 314 CO -0.16 0.69 0.09 0.00 -1.07 0.00 0.00 179.97 179.53 3hxu h ARG 315 N 0.53 1.11 -0.44 0.04 3.08 -1.16 -0.31 114.38 117.22 3hxu h ARG 315 Ca 0.09 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3hxu h ARG 315 Cb 0.53 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3hxu h ARG 315 CO 0.03 1.02 0.16 0.00 -1.07 0.00 0.00 179.97 180.12 3hxu h ALA 316 N 1.06 0.57 -0.74 0.04 0.00 -0.60 -1.52 119.26 118.07 3hxu h ALA 316 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hxu h ALA 316 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3hxu h ALA 316 CO 0.02 0.19 0.38 0.28 0.00 0.00 0.00 179.25 180.12 3hxu h VAL 317 N 0.57 1.23 -0.56 0.00 2.07 -0.87 -1.29 116.25 117.40 3hxu h VAL 317 Ca 0.14 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3hxu h VAL 317 Cb 0.21 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3hxu h VAL 317 CO -0.01 0.27 0.33 -0.09 0.02 0.00 0.00 177.57 178.09 3hxu h ARG 318 N 1.03 0.63 -0.57 1.57 1.12 -0.83 -0.77 114.38 116.56 3hxu h ARG 318 Ca 0.26 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 59.05 3hxu h ARG 318 Cb 0.08 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 3hxu h ARG 318 CO -0.04 0.41 0.21 0.45 -3.11 0.00 0.00 179.97 177.90 3hxu h HIS 319 N 0.64 0.84 -0.55 2.20 3.86 -0.86 -1.68 115.15 119.61 3hxu h HIS 319 Ca 0.23 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3hxu h HIS 319 Cb 0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 3hxu h HIS 319 CO -0.07 0.66 0.10 0.78 0.86 0.00 0.00 177.93 180.26 3hxu h GLY 320 N 0.95 0.94 0.99 2.45 0.00 -0.61 -2.10 103.07 105.70 3hxu h GLY 320 Ca 0.19 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3hxu h GLY 320 CO -0.02 0.54 0.23 -0.57 0.00 0.00 0.00 176.54 176.72 3hxu h ASN 321 N 0.83 0.81 0.16 0.19 -0.73 -0.61 -0.92 115.58 115.32 3hxu h ASN 321 Ca 0.18 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 3hxu h ASN 321 Cb 0.36 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 3hxu h ASN 321 CO 0.01 0.76 -0.17 -0.03 -0.37 0.00 0.00 177.43 177.63 3hxu h MET 322 N 0.80 0.02 0.00 6.67 4.05 -1.00 -1.33 114.93 124.15 3hxu h MET 322 Ca 0.19 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 3hxu h MET 322 Cb 0.21 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3hxu h MET 322 CO -0.01 0.20 0.00 1.28 0.23 0.00 0.00 176.91 178.60 3hxu n LEU 323 N -4.32 0.35 0.00 3.39 4.77 -0.82 -4.92 117.00 115.45 3hxu n LEU 323 Ca -0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3hxu n LEU 323 Cb 0.24 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3hxu n LEU 323 CO 0.36 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3hxu n GLY 324 N 1.28 1.18 3.70 -0.72 0.00 -0.50 -4.50 105.19 105.63 3hxu n GLY 324 Ca 0.06 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3hxu n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxu s ALA 325 N -2.00 3.80 -0.06 4.61 0.00 -0.40 -4.86 121.76 122.85 3hxu s ALA 325 Ca 0.00 1.49 0.14 0.00 0.00 0.00 0.00 51.96 53.58 3hxu s ALA 325 Cb 0.00 -3.76 -0.20 0.00 0.00 0.00 0.00 23.12 19.17 3hxu s ALA 325 CO 0.00 -1.18 0.75 0.87 0.00 0.00 0.00 175.76 176.20 3hxu h LYS 326 N 8.30 0.00 -4.93 0.00 1.57 -1.88 -3.44 116.57 116.19 3hxu h LYS 326 Ca -0.46 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.00 3hxu h LYS 326 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 3hxu h LYS 326 CO 0.95 0.44 -0.67 -1.83 -0.57 0.00 0.00 179.45 177.78 3hxu s GLU 327 N -2.71 1.18 -0.20 3.15 -1.05 -1.26 -5.10 118.70 112.72 3hxu s GLU 327 Ca -0.04 -1.57 -0.41 0.00 -0.15 0.00 0.00 54.97 52.80 3hxu s GLU 327 Cb 0.08 -0.42 -0.17 0.00 -0.44 0.00 0.00 34.13 33.18 3hxu s GLU 327 CO 0.82 -0.10 1.55 2.41 0.95 0.00 0.00 175.26 180.89 3hxu n THR 328 N -0.30 0.14 0.00 1.83 -1.04 -1.26 -4.84 114.28 108.81 3hxu n THR 328 Ca -0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3hxu n THR 328 Cb 0.63 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 3hxu n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxu n PHE 329 N 4.01 0.00 -0.17 -1.42 1.16 -1.26 -4.89 117.46 114.89 3hxu n PHE 329 Ca 0.25 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.75 3hxu n PHE 329 Cb 0.10 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.99 3hxu n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxu h PHE 330 N 0.00 0.67 0.00 2.97 3.57 -1.92 -1.39 116.94 120.83 3hxu h PHE 330 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hxu h PHE 330 Cb 0.56 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3hxu h PHE 330 CO 0.00 0.49 -0.03 0.10 -2.23 0.00 0.00 178.31 176.64 3hxu h TYR 331 N 0.65 0.00 0.00 0.41 -0.00 -1.86 -1.93 116.97 114.24 3hxu h TYR 331 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.90 3hxu h TYR 331 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.76 3hxu h TYR 331 CO -0.02 0.03 0.00 1.63 -0.00 0.00 0.00 178.16 179.80 3hxu n LYS 332 N -3.39 0.14 0.00 0.10 5.02 -0.52 -2.73 118.16 116.77 3hxu n LYS 332 Ca -0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3hxu n LYS 332 Cb 0.14 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.82 3hxu n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxu n LEU 333 N -1.37 1.33 -0.10 -0.35 4.77 -0.72 -4.27 117.00 116.29 3hxu n LEU 333 Ca 0.06 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 3hxu n LEU 333 Cb 0.15 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3hxu n LEU 333 CO 0.14 0.26 0.84 0.58 -1.33 0.00 0.00 177.39 177.87 3hxu h VAL 334 N 1.41 1.22 0.60 4.08 2.07 -1.70 -1.16 116.25 122.76 3hxu h VAL 334 Ca 0.00 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3hxu h VAL 334 Cb 0.60 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hxu h VAL 334 CO 0.00 0.24 -0.44 1.23 0.02 0.00 0.00 177.57 178.62 3hxu h GLY 335 N 0.31 -1.13 0.25 2.17 0.00 -1.81 -0.94 103.07 101.92 3hxu h GLY 335 Ca 0.09 0.49 0.18 0.00 0.00 0.00 0.00 47.33 48.10 3hxu h GLY 335 CO 0.00 -0.38 0.61 -2.55 0.00 0.00 0.00 176.54 174.22 3hxu h PRO 336 N -1.00 0.66 -0.20 4.80 0.11 -1.78 -1.98 132.00 132.61 3hxu h PRO 336 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3hxu h PRO 336 Cb 0.83 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3hxu h PRO 336 CO 0.03 0.44 0.06 1.25 -0.21 0.00 0.00 178.00 179.57 3hxu h LEU 337 N 0.68 0.29 -1.18 2.35 5.85 -0.86 -2.66 115.31 119.79 3hxu h LEU 337 Ca 0.53 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 59.18 3hxu h LEU 337 Cb 0.92 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 3hxu h LEU 337 CO -0.29 0.42 0.59 0.40 -0.34 0.00 0.00 178.44 179.22 3hxu h ILE 338 N 0.15 0.88 0.00 4.05 2.04 -0.62 -2.01 117.51 122.00 3hxu h ILE 338 Ca 0.07 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3hxu h ILE 338 Cb 0.23 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3hxu h ILE 338 CO -0.00 0.15 -0.05 0.44 0.00 0.00 0.00 178.15 178.69 3hxu h ASP 339 N 0.82 0.00 -0.00 1.72 3.32 -1.03 -3.05 116.42 118.20 3hxu h ASP 339 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3hxu h ASP 339 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3hxu h ASP 339 CO -0.22 0.05 -0.61 1.33 -1.72 0.00 0.00 179.24 178.06 3hxu n VAL 340 N -3.20 0.00 0.74 -1.35 0.24 -0.80 -4.59 118.33 109.38 3hxu n VAL 340 Ca -0.00 -0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.22 3hxu n VAL 340 Cb 0.27 1.06 0.19 0.00 -1.47 0.00 0.00 33.84 33.89 3hxu n VAL 340 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hxu n MET 341 N -1.00 0.17 0.00 7.34 2.81 -0.95 -4.90 117.12 120.59 3hxu n MET 341 Ca 0.04 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3hxu n MET 341 Cb 0.27 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3hxu n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxu n GLY 342 N 1.41 2.68 0.25 3.03 0.00 -1.25 -2.04 105.19 109.26 3hxu n GLY 342 Ca 0.04 -0.38 0.17 0.00 0.00 0.00 0.00 46.02 45.85 3hxu n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxu h SER 343 N 9.06 0.00 0.81 1.61 4.64 -1.96 -2.27 113.55 125.45 3hxu h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxu h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxu h SER 343 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hxu n ALA 344 N -1.99 1.88 -0.55 5.18 0.00 -0.87 -3.02 120.51 121.15 3hxu n ALA 344 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3hxu n ALA 344 Cb 0.22 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.58 3hxu n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxu n GLY 345 N 0.47 3.03 0.37 0.00 0.00 -0.85 -4.70 105.19 103.51 3hxu n GLY 345 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.33 3hxu n GLY 345 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hxu h GLU 346 N 2.94 1.18 -0.15 1.61 4.11 -1.68 0.31 114.58 122.90 3hxu h GLU 346 Ca 0.00 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.28 3hxu h GLU 346 Cb 1.20 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3hxu h GLU 346 CO 0.14 0.78 -0.26 -0.44 0.07 0.00 0.00 179.01 179.31 3hxu h ASP 347 N 1.22 0.27 -0.07 3.06 3.32 -1.87 -1.33 116.42 121.02 3hxu h ASP 347 Ca 0.38 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 3hxu h ASP 347 Cb 0.00 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hxu h ASP 347 CO -0.12 0.53 -0.49 0.25 -1.72 0.00 0.00 179.24 177.69 3hxu h LEU 348 N 0.24 0.55 -0.58 1.55 5.85 -1.61 -3.20 115.31 118.10 3hxu h LEU 348 Ca 0.04 -0.68 0.03 0.00 0.84 0.00 0.00 57.88 58.11 3hxu h LEU 348 Cb 0.59 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hxu h LEU 348 CO 0.04 1.14 0.35 0.50 -0.34 0.00 0.00 178.44 180.14 3hxu h LYS 349 N 0.00 0.67 -0.55 1.25 3.64 -0.83 -1.19 116.57 119.56 3hxu h LYS 349 Ca -0.04 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3hxu h LYS 349 Cb 1.16 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3hxu h LYS 349 CO 0.10 0.45 0.39 -0.09 -2.27 0.00 0.00 179.45 178.02 3hxu h ARG 350 N 0.69 0.12 -0.07 1.90 2.43 -1.31 -2.60 114.38 115.55 3hxu h ARG 350 Ca 0.24 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3hxu h ARG 350 Cb 0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3hxu h ARG 350 CO -0.11 0.08 -0.34 1.04 -1.51 0.00 0.00 179.97 179.13 3hxu n GLN 351 N -4.41 1.62 -0.04 0.20 6.02 -0.63 -4.87 117.38 115.27 3hxu n GLN 351 Ca 0.10 -3.17 -0.10 0.00 -0.01 0.00 0.00 57.00 53.82 3hxu n GLN 351 Cb 0.54 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 3hxu n GLN 351 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hxu h GLN 352 N 0.87 -0.35 -0.81 -1.09 4.15 -0.84 -1.29 115.11 115.74 3hxu h GLN 352 Ca 0.04 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3hxu h GLN 352 Cb 1.12 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 3hxu h GLN 352 CO 0.07 -0.24 0.40 0.00 -1.93 0.00 0.00 178.83 177.14 3hxu h ALA 353 N 0.47 1.04 -0.49 3.38 0.00 -1.88 -0.36 119.26 121.42 3hxu h ALA 353 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3hxu h ALA 353 Cb 0.56 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hxu h ALA 353 CO -0.42 0.59 0.09 0.37 0.00 0.00 0.00 179.25 179.89 3hxu h GLN 354 N 1.14 0.79 -0.48 0.00 5.75 -1.86 -2.05 115.11 118.40 3hxu h GLN 354 Ca 0.28 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3hxu h GLN 354 Cb 0.10 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3hxu h GLN 354 CO -0.04 0.79 0.02 0.28 -2.65 0.00 0.00 178.83 177.23 3hxu h VAL 355 N 0.67 1.26 -0.49 2.39 2.07 -0.83 -2.37 116.25 118.95 3hxu h VAL 355 Ca 0.15 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3hxu h VAL 355 Cb 0.37 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3hxu h VAL 355 CO 0.01 0.36 0.26 -0.33 0.02 0.00 0.00 177.57 177.89 3hxu h GLU 356 N 0.69 0.50 -0.35 1.57 5.08 -0.98 -1.97 114.58 119.11 3hxu h GLU 356 Ca 0.14 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 3hxu h GLU 356 Cb 0.48 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hxu h GLU 356 CO 0.02 0.33 -0.27 -0.56 -1.00 0.00 0.00 179.01 177.53 3hxu h GLN 357 N 0.51 0.72 -0.38 2.33 -0.00 -1.24 0.62 115.11 117.67 3hxu h GLN 357 Ca 0.21 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 3hxu h GLN 357 Cb 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.53 3hxu h GLN 357 CO -0.14 0.91 0.22 0.28 -0.00 0.00 0.00 178.83 180.11 3hxu h VAL 358 N 0.62 1.13 -0.42 1.86 2.07 -1.23 0.20 116.25 120.48 3hxu h VAL 358 Ca 0.08 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3hxu h VAL 358 Cb 0.77 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hxu h VAL 358 CO 0.06 0.13 -0.23 -0.07 0.02 0.00 0.00 177.57 177.48 3hxu h LEU 359 N 0.49 0.88 -0.17 2.57 3.38 -1.10 -1.83 115.31 119.53 3hxu h LEU 359 Ca 0.14 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hxu h LEU 359 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hxu h LEU 359 CO -0.02 1.08 0.08 0.50 0.09 0.00 0.00 178.44 180.16 3hxu h LYS 360 N 0.75 0.25 -0.42 1.13 3.64 -0.69 -2.01 116.57 119.21 3hxu h LYS 360 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hxu h LYS 360 Cb 0.77 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3hxu h LYS 360 CO 0.06 0.30 0.27 1.15 -2.27 0.00 0.00 179.45 178.97 3hxu h THR 361 N 0.14 1.12 -0.59 1.00 2.02 -0.88 -1.73 112.91 113.99 3hxu h THR 361 Ca 0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3hxu h THR 361 Cb 0.13 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3hxu h THR 361 CO -0.01 0.11 0.23 -0.08 0.37 0.00 0.00 175.52 176.14 3hxu h GLU 362 N 0.57 0.89 -0.55 6.66 4.57 -1.26 -0.63 114.58 124.83 3hxu h GLU 362 Ca 0.15 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3hxu h GLU 362 Cb -0.05 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 3hxu h GLU 362 CO -0.03 0.77 0.07 1.49 -1.18 0.00 0.00 179.01 180.13 3hxu h GLU 363 N 0.82 0.92 -0.72 1.92 4.81 -1.24 -1.40 114.58 119.68 3hxu h GLU 363 Ca 0.20 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3hxu h GLU 363 Cb 0.22 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3hxu h GLU 363 CO -0.01 0.90 0.26 0.93 -0.73 0.00 0.00 179.01 180.35 3hxu h GLU 364 N 0.81 1.10 -0.56 1.92 5.08 -1.13 -0.06 114.58 121.74 3hxu h GLU 364 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hxu h GLU 364 Cb 0.44 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3hxu h GLU 364 CO 0.01 0.92 0.30 0.37 -1.00 0.00 0.00 179.01 179.62 3hxu h GLN 365 N 1.05 0.78 -0.04 2.33 4.15 -0.93 -2.89 115.11 119.56 3hxu h GLN 365 Ca 0.24 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 3hxu h GLN 365 Cb 0.26 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3hxu h GLN 365 CO -0.01 0.60 -0.58 0.35 -1.93 0.00 0.00 178.83 177.25 3hxu h PHE 366 N 0.75 0.17 0.00 3.99 3.57 -1.00 -2.94 116.94 121.47 3hxu h PHE 366 Ca 0.20 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hxu h PHE 366 Cb 0.05 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hxu h PHE 366 CO -0.01 0.68 0.00 0.00 -2.23 0.00 0.00 178.31 176.75 3hxu h ALA 367 N 1.30 1.00 0.00 2.41 0.00 -0.79 0.28 119.26 123.46 3hxu h ALA 367 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hxu h ALA 367 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hxu h ALA 367 CO 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.25 3hxu h ARG 368 N 0.00 0.00 0.00 0.00 3.08 -1.50 -3.31 114.38 112.65 3hxu h ARG 368 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hxu h ARG 368 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hxu h ARG 368 CO 0.00 0.08 -0.06 0.25 -1.07 0.00 0.00 179.97 179.18 3hxu n THR 369 N -3.63 0.00 0.30 2.04 -2.24 -0.47 -4.88 114.28 105.40 3hxu n THR 369 Ca -0.02 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 3hxu n THR 369 Cb 0.20 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 3hxu n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxu h LEU 370 N 0.00 -0.95 -0.59 3.22 5.85 -1.08 0.17 115.31 121.93 3hxu h LEU 370 Ca 0.00 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3hxu h LEU 370 Cb 0.00 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3hxu h LEU 370 CO 0.00 -0.55 0.29 -0.33 -0.34 0.00 0.00 178.44 177.51 3hxu h GLU 371 N -0.86 0.52 -0.80 1.25 4.39 -1.86 -0.22 114.58 117.00 3hxu h GLU 371 Ca -0.07 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 3hxu h GLU 371 Cb 0.70 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 3hxu h GLU 371 CO 0.05 0.35 0.35 0.00 -1.16 0.00 0.00 179.01 178.60 3hxu h ARG 372 N 0.54 1.17 -0.56 2.33 3.08 -1.87 -0.58 114.38 118.48 3hxu h ARG 372 Ca 0.27 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 3hxu h ARG 372 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3hxu h ARG 372 CO -0.20 0.92 -0.04 0.78 -1.07 0.00 0.00 179.97 180.36 3hxu h GLY 373 N 1.14 1.08 1.25 0.04 0.00 -0.10 -2.04 103.07 104.44 3hxu h GLY 373 Ca 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 3hxu h GLY 373 CO -0.03 0.74 -0.05 1.41 0.00 0.00 0.00 176.54 178.60 3hxu h LEU 374 N 0.91 0.88 -0.50 3.11 3.38 -0.71 -0.72 115.31 121.66 3hxu h LEU 374 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hxu h LEU 374 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3hxu h LEU 374 CO 0.03 0.97 0.27 0.00 0.09 0.00 0.00 178.44 179.80 3hxu h ALA 375 N 1.11 0.64 -0.32 1.53 0.00 -0.95 0.11 119.26 121.38 3hxu h ALA 375 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hxu h ALA 375 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hxu h ALA 375 CO 0.03 0.17 0.18 1.25 0.00 0.00 0.00 179.25 180.88 3hxu h LEU 376 N 0.66 0.40 -0.63 0.00 5.85 -1.13 -1.53 115.31 118.94 3hxu h LEU 376 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hxu h LEU 376 Cb 0.06 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3hxu h LEU 376 CO -0.03 0.38 0.40 0.25 -0.34 0.00 0.00 178.44 179.10 3hxu h LEU 377 N 0.40 0.73 -0.39 2.25 5.85 -0.92 -0.85 115.31 122.38 3hxu h LEU 377 Ca 0.11 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3hxu h LEU 377 Cb 0.06 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3hxu h LEU 377 CO -0.02 0.55 0.16 0.44 -0.34 0.00 0.00 178.44 179.23 3hxu h ASP 378 N 0.85 0.20 -0.65 1.25 3.32 -0.83 -0.22 116.42 120.33 3hxu h ASP 378 Ca 0.23 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.36 3hxu h ASP 378 Cb -0.07 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 3hxu h ASP 378 CO -0.05 0.15 0.37 -0.33 -1.72 0.00 0.00 179.24 177.66 3hxu h GLU 379 N 0.33 0.68 -0.06 3.56 5.08 -0.73 -0.68 114.58 122.77 3hxu h GLU 379 Ca 0.18 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3hxu h GLU 379 Cb 0.14 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hxu h GLU 379 CO -0.16 0.45 -0.55 0.93 -1.00 0.00 0.00 179.01 178.68 3hxu h GLU 380 N 0.70 0.16 -0.03 2.33 4.39 -0.78 -3.10 114.58 118.26 3hxu h GLU 380 Ca 0.28 -0.10 -0.24 0.00 0.34 0.00 0.00 59.36 59.64 3hxu h GLU 380 Cb 0.13 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3hxu h GLU 380 CO -0.15 0.67 -0.95 -0.07 -1.16 0.00 0.00 179.01 177.34 3hxu h LEU 381 N 0.12 0.74 -2.11 1.33 3.38 -0.69 -2.62 115.31 115.47 3hxu h LEU 381 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3hxu h LEU 381 Cb 1.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hxu h LEU 381 CO 0.08 1.37 0.01 0.00 0.09 0.00 0.00 178.44 179.99 3hxu h ALA 382 N 0.59 1.90 -0.27 1.53 0.00 -1.06 -1.68 119.26 120.28 3hxu h ALA 382 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hxu h ALA 382 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3hxu h ALA 382 CO 0.18 -0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.77 3hxu n LYS 383 N -4.37 2.11 -2.19 0.00 2.85 -1.20 -5.00 118.16 110.37 3hxu n LYS 383 Ca -0.03 -1.84 -0.42 0.00 -1.05 0.00 0.00 58.31 54.97 3hxu n LYS 383 Cb 0.11 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 3hxu n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxu s LEU 384 N -1.04 4.34 -0.32 -5.58 0.20 -0.63 -5.00 118.68 110.65 3hxu s LEU 384 Ca 0.23 2.21 -0.12 0.00 0.69 0.00 0.00 54.13 57.15 3hxu s LEU 384 Cb 0.13 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.30 3hxu s LEU 384 CO 0.18 -0.69 0.20 -0.55 -0.29 0.00 0.00 176.35 175.20 3hxu s SER 385 N 1.60 5.90 0.00 3.68 0.15 -1.26 -4.97 113.70 118.80 3hxu s SER 385 Ca 0.65 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3hxu s SER 385 Cb -0.34 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3hxu s SER 385 CO 0.28 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3hxu n GLY 386 N 5.06 -1.20 1.01 9.45 0.00 -1.26 -4.80 105.19 113.45 3hxu n GLY 386 Ca -0.13 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.75 3hxu n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxu n ASP 387 N 0.00 3.58 -3.83 1.61 5.75 -1.26 -4.93 116.55 117.47 3hxu n ASP 387 Ca 0.00 -2.15 -0.24 0.00 -0.01 0.00 0.00 54.79 52.39 3hxu n ASP 387 Cb 0.00 -0.39 -0.17 0.00 -1.03 0.00 0.00 41.12 39.53 3hxu n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxu s THR 388 N -1.28 0.60 0.20 2.12 2.01 -1.26 0.03 115.64 118.06 3hxu s THR 388 Ca 0.37 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3hxu s THR 388 Cb 0.21 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.94 3hxu s THR 388 CO 0.22 0.29 1.28 -0.22 -0.69 0.00 0.00 174.62 175.50 3hxu s LEU 389 N 1.71 4.42 0.58 4.42 2.96 0.10 -4.86 118.68 128.02 3hxu s LEU 389 Ca 0.02 2.37 -0.18 0.00 -0.22 0.00 0.00 54.13 56.11 3hxu s LEU 389 Cb -0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3hxu s LEU 389 CO -0.05 -0.49 1.14 1.51 -1.32 0.00 0.00 176.35 177.13 3hxu s ASP 390 N 0.29 5.48 0.38 3.68 -4.77 -1.26 -1.29 116.67 119.18 3hxu s ASP 390 Ca 0.56 2.17 0.13 0.00 -3.30 0.00 0.00 52.55 52.10 3hxu s ASP 390 Cb -0.36 -2.58 0.77 0.00 -1.09 0.00 0.00 42.92 39.67 3hxu s ASP 390 CO 0.38 -1.39 1.86 1.23 0.70 0.00 0.00 175.17 177.95 3hxu h GLY 391 N 0.86 0.02 1.01 2.12 0.00 -1.84 -2.70 103.07 102.53 3hxu h GLY 391 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3hxu h GLY 391 CO 0.56 0.01 0.38 -2.09 0.00 0.00 0.00 176.54 175.41 3hxu h GLU 392 N 0.02 0.98 -0.39 4.80 4.81 -1.91 0.51 114.58 123.40 3hxu h GLU 392 Ca -0.00 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 3hxu h GLU 392 Cb 0.58 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3hxu h GLU 392 CO 0.04 0.74 -0.21 1.15 -0.73 0.00 0.00 179.01 180.00 3hxu h THR 393 N 0.97 1.28 -0.75 0.32 2.02 -1.88 -0.26 112.91 114.60 3hxu h THR 393 Ca 0.25 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 66.08 3hxu h THR 393 Cb 0.04 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3hxu h THR 393 CO -0.04 0.45 0.50 0.00 0.37 0.00 0.00 175.52 176.80 3hxu h ALA 394 N 0.80 0.95 -0.49 6.16 0.00 -1.29 -1.35 119.26 124.05 3hxu h ALA 394 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hxu h ALA 394 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hxu h ALA 394 CO 0.06 0.37 -0.10 0.35 0.00 0.00 0.00 179.25 179.93 3hxu h PHE 395 N 1.02 0.99 -0.72 0.00 3.57 -0.69 -1.74 116.94 119.37 3hxu h PHE 395 Ca 0.27 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3hxu h PHE 395 Cb -0.12 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 3hxu h PHE 395 CO -0.02 0.94 0.27 -0.09 -2.23 0.00 0.00 178.31 177.18 3hxu h ARG 396 N 0.81 1.09 -0.55 1.11 2.43 -0.71 0.38 114.38 118.93 3hxu h ARG 396 Ca 0.13 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3hxu h ARG 396 Cb 0.62 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3hxu h ARG 396 CO 0.04 0.91 0.14 -0.07 -1.51 0.00 0.00 179.97 179.48 3hxu h LEU 397 N 1.04 0.79 0.31 3.80 3.38 -1.07 0.42 115.31 123.98 3hxu h LEU 397 Ca 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hxu h LEU 397 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hxu h LEU 397 CO -0.02 0.77 -0.15 0.22 0.09 0.00 0.00 178.44 179.36 3hxu h TYR 398 N 0.81 -0.38 -0.26 1.13 3.20 -0.77 -1.16 116.97 119.55 3hxu h TYR 398 Ca 0.18 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.86 3hxu h TYR 398 Cb 0.29 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3hxu h TYR 398 CO 0.02 -0.05 -0.55 0.22 -1.64 0.00 0.00 178.16 176.16 3hxu h ASP 399 N -0.76 0.92 0.11 -2.11 3.58 -0.15 -1.77 116.42 116.24 3hxu h ASP 399 Ca -0.04 -0.55 -0.37 0.00 0.42 0.00 0.00 57.03 56.49 3hxu h ASP 399 Cb 0.50 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 3hxu h ASP 399 CO 0.07 1.30 -2.04 0.41 -2.88 0.00 0.00 179.24 176.10 3hxu n THR 400 N -4.05 1.75 0.62 2.25 -1.04 0.13 -4.57 114.28 109.36 3hxu n THR 400 Ca -0.05 -0.63 0.07 0.00 -2.04 0.00 0.00 64.05 61.39 3hxu n THR 400 Cb 0.63 -1.71 0.01 0.00 -1.82 0.00 0.00 70.33 67.44 3hxu n THR 400 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hxu n TYR 401 N -3.48 0.00 -2.55 -1.42 4.01 -0.75 -4.99 117.16 107.99 3hxu n TYR 401 Ca -0.34 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.27 3hxu n TYR 401 Cb 1.03 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.08 3hxu n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxu n GLY 402 N 1.02 -0.10 3.55 2.72 0.00 -0.67 -4.73 105.19 106.99 3hxu n GLY 402 Ca 0.06 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3hxu n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxu s PHE 403 N -2.82 3.03 0.59 1.61 0.40 -0.52 -4.95 117.98 115.31 3hxu s PHE 403 Ca 0.12 0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.51 3hxu s PHE 403 Cb -0.05 -3.58 -0.03 0.00 0.51 0.00 0.00 43.02 39.86 3hxu s PHE 403 CO 0.14 -0.91 1.32 -2.30 0.70 0.00 0.00 175.22 174.17 3hxu n PRO 404 N 6.62 1.44 -0.03 0.24 -0.02 -1.26 -3.43 135.00 138.56 3hxu n PRO 404 Ca 0.02 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 3hxu n PRO 404 Cb 0.48 -2.54 0.46 0.00 -0.02 0.00 0.00 33.50 31.89 3hxu n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxu h VAL 405 N 1.06 1.01 0.00 -1.45 3.04 -1.97 -0.79 116.25 117.15 3hxu h VAL 405 Ca -0.51 -0.16 -0.08 0.00 -1.01 0.00 0.00 66.70 64.94 3hxu h VAL 405 Cb 1.32 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3hxu h VAL 405 CO 0.55 0.09 -0.37 -2.24 -1.01 0.00 0.00 177.57 174.59 3hxu h ASP 406 N 0.48 0.00 -0.17 3.17 3.04 -1.98 -0.05 116.42 120.91 3hxu h ASP 406 Ca 0.20 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.90 3hxu h ASP 406 Cb 0.20 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.49 3hxu h ASP 406 CO -0.05 0.37 -0.28 0.25 -2.04 0.00 0.00 179.24 177.49 3hxu h LEU 407 N 0.00 0.53 -0.59 0.15 6.46 -1.51 -1.22 115.31 119.12 3hxu h LEU 407 Ca -0.00 -0.53 0.01 0.00 -0.12 0.00 0.00 57.88 57.24 3hxu h LEU 407 Cb 0.92 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 3hxu h LEU 407 CO 0.05 0.96 0.38 0.74 -0.62 0.00 0.00 178.44 179.95 3hxu h THR 408 N 0.12 1.13 -0.63 1.05 2.02 -1.23 -2.15 112.91 113.22 3hxu h THR 408 Ca 0.01 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3hxu h THR 408 Cb 0.86 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3hxu h THR 408 CO 0.06 0.14 0.35 0.00 0.37 0.00 0.00 175.52 176.44 3hxu h ALA 409 N 1.23 1.44 -0.43 6.16 0.00 -0.97 -1.75 119.26 124.95 3hxu h ALA 409 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3hxu h ALA 409 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hxu h ALA 409 CO -0.06 0.47 0.15 0.22 0.00 0.00 0.00 179.25 180.03 3hxu h ASP 410 N 0.87 0.61 -0.18 0.00 3.58 -0.71 0.77 116.42 121.36 3hxu h ASP 410 Ca 0.22 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 3hxu h ASP 410 Cb 0.01 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3hxu h ASP 410 CO -0.04 0.63 0.07 0.58 -2.88 0.00 0.00 179.24 177.61 3hxu h VAL 411 N 0.55 1.15 -0.75 2.25 2.07 -1.10 -3.06 116.25 117.36 3hxu h VAL 411 Ca 0.14 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3hxu h VAL 411 Cb 0.23 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3hxu h VAL 411 CO -0.01 0.15 0.33 0.00 0.02 0.00 0.00 177.57 178.06 3hxu h ARG 413 N 1.07 0.60 0.00 0.00 2.43 -0.69 0.13 114.38 117.91 3hxu h ARG 413 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hxu h ARG 413 Cb 0.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3hxu h ARG 413 CO -0.03 0.40 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 3hxu n GLU 414 N -4.50 0.10 -0.14 0.20 1.02 -1.04 -1.68 120.64 114.60 3hxu n GLU 414 Ca 0.13 0.43 0.09 0.00 -0.02 0.00 0.00 57.16 57.80 3hxu n GLU 414 Cb 0.37 -1.73 0.15 0.00 -0.02 0.00 0.00 31.44 30.21 3hxu n GLU 414 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hxu n ARG 415 N -1.93 1.40 -3.21 3.49 1.74 0.29 -4.97 116.66 113.47 3hxu n ARG 415 Ca 0.01 -2.66 -0.23 0.00 -0.77 0.00 0.00 57.85 54.20 3hxu n ARG 415 Cb 0.14 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3hxu n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxu n ASN 416 N -1.36 -5.69 -4.41 0.55 3.02 -0.68 -4.99 115.26 101.71 3hxu n ASN 416 Ca 0.17 -0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 3hxu n ASN 416 Cb 0.66 -4.59 -0.14 0.00 -0.61 0.00 0.00 39.78 35.11 3hxu n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxu s ILE 417 N -3.16 2.84 0.50 2.41 -1.09 -0.34 -4.95 121.20 117.41 3hxu s ILE 417 Ca 0.38 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 3hxu s ILE 417 Cb -0.18 -2.11 0.03 0.00 -1.58 0.00 0.00 42.46 38.62 3hxu s ILE 417 CO 0.47 0.57 0.69 -0.54 -1.23 0.00 0.00 174.94 174.91 3hxu s LYS 418 N -0.37 2.64 -0.07 2.79 1.02 0.10 -2.86 119.74 122.99 3hxu s LYS 418 Ca 0.04 -1.00 0.05 0.00 0.02 0.00 0.00 55.97 55.08 3hxu s LYS 418 Cb -0.12 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3hxu s LYS 418 CO 0.02 -0.55 -0.21 0.08 -0.92 0.00 0.00 175.35 173.77 3hxu s VAL 419 N -2.60 1.78 -0.96 3.17 1.01 -1.26 0.02 120.40 121.56 3hxu s VAL 419 Ca 0.57 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 3hxu s VAL 419 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3hxu s VAL 419 CO 0.36 0.50 1.76 -0.62 0.00 0.00 0.00 175.10 177.11 3hxu s ASP 420 N 0.13 5.66 0.28 3.32 2.15 -0.41 -4.80 116.67 123.01 3hxu s ASP 420 Ca -0.09 -1.03 -0.01 0.00 0.43 0.00 0.00 52.55 51.84 3hxu s ASP 420 Cb -0.15 -2.56 0.41 0.00 -0.30 0.00 0.00 42.92 40.32 3hxu s ASP 420 CO 0.05 -2.28 1.86 -0.33 -0.17 0.00 0.00 175.17 174.30 3hxu h GLU 421 N 10.61 0.90 -0.70 4.34 4.39 -1.97 -1.52 114.58 130.63 3hxu h GLU 421 Ca 0.15 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3hxu h GLU 421 Cb 1.00 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 3hxu h GLU 421 CO 1.29 0.74 0.25 0.00 -1.16 0.00 0.00 179.01 180.14 3hxu h ALA 422 N 1.38 0.91 -0.65 3.43 0.00 -1.99 -0.90 119.26 121.43 3hxu h ALA 422 Ca 0.21 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hxu h ALA 422 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hxu h ALA 422 CO -0.02 0.56 0.10 0.78 0.00 0.00 0.00 179.25 180.67 3hxu h GLY 423 N 1.01 1.16 0.98 0.00 0.00 -1.82 -0.52 103.07 103.89 3hxu h GLY 423 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 3hxu h GLY 423 CO -0.01 0.72 0.28 -2.75 0.00 0.00 0.00 176.54 174.78 3hxu h PHE 424 N 1.00 0.77 -0.23 5.60 3.04 -1.02 -1.39 116.94 124.71 3hxu h PHE 424 Ca 0.20 -0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 3hxu h PHE 424 Cb 0.44 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 3hxu h PHE 424 CO 0.03 0.58 -0.34 0.93 -2.02 0.00 0.00 178.31 177.49 3hxu h GLU 425 N 0.74 0.48 -0.50 1.11 4.39 -0.99 -1.50 114.58 118.30 3hxu h GLU 425 Ca 0.19 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3hxu h GLU 425 Cb 0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3hxu h GLU 425 CO -0.03 0.76 -0.05 0.00 -1.16 0.00 0.00 179.01 178.54 3hxu h ALA 426 N 1.22 0.97 -0.53 3.43 0.00 -0.85 -0.56 119.26 122.94 3hxu h ALA 426 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3hxu h ALA 426 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hxu h ALA 426 CO 0.06 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.83 3hxu h ALA 427 N 1.13 0.81 -0.54 0.00 0.00 -1.02 -0.72 119.26 118.93 3hxu h ALA 427 Ca 0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3hxu h ALA 427 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hxu h ALA 427 CO 0.03 0.66 0.09 1.98 0.00 0.00 0.00 179.25 182.01 3hxu h MET 428 N 0.88 0.90 -0.49 0.00 -1.53 -1.04 -2.17 114.93 111.48 3hxu h MET 428 Ca 0.14 -0.24 -0.11 0.00 -3.44 0.00 0.00 59.70 56.05 3hxu h MET 428 Cb 0.66 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 3hxu h MET 428 CO 0.05 0.87 -0.13 1.49 0.14 0.00 0.00 176.91 179.32 3hxu h GLU 429 N 0.78 0.92 -0.87 0.39 4.57 -0.96 -1.16 114.58 118.25 3hxu h GLU 429 Ca 0.16 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3hxu h GLU 429 Cb 0.41 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 3hxu h GLU 429 CO 0.01 0.99 0.58 0.93 -1.18 0.00 0.00 179.01 180.34 3hxu h GLU 430 N 0.82 1.14 -0.54 1.92 5.08 -1.01 -0.97 114.58 121.02 3hxu h GLU 430 Ca 0.13 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3hxu h GLU 430 Cb 0.67 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3hxu h GLU 430 CO 0.05 0.75 -0.11 0.37 -1.00 0.00 0.00 179.01 179.07 3hxu h GLN 431 N 1.17 1.02 -0.73 2.33 4.15 -1.11 -2.07 115.11 119.86 3hxu h GLN 431 Ca 0.32 -0.38 0.04 0.00 0.77 0.00 0.00 58.65 59.40 3hxu h GLN 431 Cb -0.12 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 3hxu h GLN 431 CO -0.08 1.07 0.46 0.00 -1.93 0.00 0.00 178.83 178.35 3hxu h ARG 432 N 0.89 0.85 -0.84 1.69 3.08 -0.75 -0.50 114.38 118.81 3hxu h ARG 432 Ca 0.14 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3hxu h ARG 432 Cb 0.68 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3hxu h ARG 432 CO 0.05 0.56 0.41 0.00 -1.07 0.00 0.00 179.97 179.92 3hxu h ARG 433 N 0.88 1.21 -0.73 0.04 2.47 -1.00 -0.54 114.38 116.72 3hxu h ARG 433 Ca 0.30 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 3hxu h ARG 433 Cb 0.06 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 3hxu h ARG 433 CO -0.13 0.93 0.24 0.00 0.56 0.00 0.00 179.97 181.57 3hxu h ARG 434 N 1.20 1.12 -0.57 0.04 3.08 -0.81 -0.50 114.38 117.93 3hxu h ARG 434 Ca 0.29 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3hxu h ARG 434 Cb 0.11 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3hxu h ARG 434 CO -0.04 0.95 0.23 0.00 -1.07 0.00 0.00 179.97 180.05 3hxu h ALA 435 N 1.12 0.74 -0.57 0.04 0.00 -0.66 -1.53 119.26 118.41 3hxu h ALA 435 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hxu h ALA 435 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hxu h ALA 435 CO -0.01 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.71 3hxu h ARG 436 N 0.79 0.93 -0.60 0.00 3.08 -0.87 -0.92 114.38 116.79 3hxu h ARG 436 Ca 0.19 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3hxu h ARG 436 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3hxu h ARG 436 CO -0.02 0.87 0.26 1.49 -1.07 0.00 0.00 179.97 181.51 3hxu h GLU 437 N 0.83 0.87 -0.09 0.04 4.57 -0.94 -1.44 114.58 118.42 3hxu h GLU 437 Ca 0.18 -0.14 -0.22 0.00 -1.18 0.00 0.00 59.36 57.99 3hxu h GLU 437 Cb 0.38 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3hxu h GLU 437 CO 0.01 0.73 -0.84 0.00 -1.18 0.00 0.00 179.01 177.73 3hxu h ALA 438 N 1.10 0.35 0.00 2.92 0.00 -1.18 -3.30 119.26 119.15 3hxu h ALA 438 Ca 0.20 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 3hxu h ALA 438 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hxu h ALA 438 CO -0.02 0.72 -0.84 0.66 0.00 0.00 0.00 179.25 179.76 3hxu h SER 439 N 0.42 0.06 0.00 0.00 4.64 -1.13 -3.49 113.55 114.05 3hxu h SER 439 Ca -0.07 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3hxu h SER 439 Cb 1.46 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3hxu h SER 439 CO 0.16 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 3hxu n GLY 440 N 0.87 0.27 0.00 -0.77 0.00 -0.55 -5.09 105.19 99.92 3hxu n GLY 440 Ca -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 44.89 3hxu n GLY 440 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65