#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxz s LYS 2 N 0.00 4.58 0.86 4.33 1.02 -1.26 -5.04 119.74 124.22 3hxz s LYS 2 Ca 0.00 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.65 3hxz s LYS 2 Cb 0.00 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.31 3hxz s LYS 2 CO 0.00 0.16 1.09 -1.54 -0.92 0.00 0.00 175.35 174.15 3hxz s SER 3 N -0.96 3.85 0.24 2.83 1.04 -1.26 -4.79 113.70 114.65 3hxz s SER 3 Ca 0.46 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.25 3hxz s SER 3 Cb -0.31 -2.11 0.35 0.00 0.10 0.00 0.00 66.02 64.05 3hxz s SER 3 CO 0.40 -2.39 1.84 0.74 0.98 0.00 0.00 173.24 174.80 3hxz h THR 4 N -1.38 1.00 -0.67 2.02 2.02 -1.96 -0.57 112.91 113.37 3hxz h THR 4 Ca -0.49 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3hxz h THR 4 Cb 1.28 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3hxz h THR 4 CO 0.56 0.17 0.30 0.00 0.37 0.00 0.00 175.52 176.92 3hxz h ALA 5 N 1.42 0.87 -0.46 6.16 0.00 -1.92 -0.94 119.26 124.39 3hxz h ALA 5 Ca 0.38 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hxz h ALA 5 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hxz h ALA 5 CO -0.19 0.46 -0.06 0.93 0.00 0.00 0.00 179.25 180.38 3hxz h GLU 6 N 0.94 0.79 -0.33 0.00 5.08 -1.76 -1.73 114.58 117.58 3hxz h GLU 6 Ca 0.23 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3hxz h GLU 6 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hxz h GLU 6 CO -0.02 0.84 -0.02 0.82 -1.00 0.00 0.00 179.01 179.63 3hxz h ILE 7 N 0.73 1.26 -0.41 3.13 2.04 -0.85 0.47 117.51 123.88 3hxz h ILE 7 Ca 0.13 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3hxz h ILE 7 Cb 0.53 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3hxz h ILE 7 CO 0.03 0.33 0.17 -0.09 0.00 0.00 0.00 178.15 178.59 3hxz h ARG 8 N 0.40 0.34 -0.32 2.37 2.43 -1.05 -1.68 114.38 116.87 3hxz h ARG 8 Ca 0.09 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 3hxz h ARG 8 Cb 0.47 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3hxz h ARG 8 CO 0.02 0.23 -0.35 0.37 -1.51 0.00 0.00 179.97 178.73 3hxz h GLN 9 N 0.35 0.72 -0.66 0.20 5.75 -1.18 -2.77 115.11 117.53 3hxz h GLN 9 Ca 0.18 -0.35 -0.07 0.00 -0.15 0.00 0.00 58.65 58.26 3hxz h GLN 9 Cb 0.13 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3hxz h GLN 9 CO -0.16 0.96 0.12 0.00 -2.65 0.00 0.00 178.83 177.11 3hxz h ALA 10 N 1.00 0.88 -0.12 3.38 0.00 -0.65 0.97 119.26 124.71 3hxz h ALA 10 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hxz h ALA 10 Cb 0.88 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hxz h ALA 10 CO 0.08 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.37 3hxz h PHE 11 N 1.01 0.11 -0.71 0.00 3.57 -1.25 -0.04 116.94 119.62 3hxz h PHE 11 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3hxz h PHE 11 Cb 0.42 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3hxz h PHE 11 CO 0.03 0.06 0.17 -0.07 -2.23 0.00 0.00 178.31 176.27 3hxz h LEU 12 N 0.13 1.09 -0.73 0.59 3.38 -1.20 -2.46 115.31 116.11 3hxz h LEU 12 Ca 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hxz h LEU 12 Cb 0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3hxz h LEU 12 CO -0.04 1.04 0.38 0.44 0.09 0.00 0.00 178.44 180.36 3hxz h ASP 13 N 1.08 0.92 0.15 -0.43 3.32 -0.62 -0.65 116.42 120.19 3hxz h ASP 13 Ca 0.22 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3hxz h ASP 13 Cb 0.39 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3hxz h ASP 13 CO 0.00 0.77 -0.24 0.15 -1.72 0.00 0.00 179.24 178.20 3hxz h PHE 14 N 1.01 -0.63 -0.07 4.55 3.57 -0.64 -1.00 116.94 123.72 3hxz h PHE 14 Ca 0.25 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 3hxz h PHE 14 Cb 0.07 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3hxz h PHE 14 CO 0.00 -0.34 -0.59 0.74 -2.23 0.00 0.00 178.31 175.89 3hxz h PHE 15 N -0.45 0.29 -0.88 0.41 0.04 -1.33 -2.44 116.94 112.57 3hxz h PHE 15 Ca 0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3hxz h PHE 15 Cb 0.46 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 3hxz h PHE 15 CO -0.21 0.76 0.55 1.25 -0.60 0.00 0.00 178.31 180.07 3hxz h HIS 16 N 0.17 1.14 0.00 -0.55 2.76 -1.02 -0.15 115.15 117.50 3hxz h HIS 16 Ca -0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3hxz h HIS 16 Cb 1.09 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 3hxz h HIS 16 CO 0.02 0.75 -0.04 0.66 -1.30 0.00 0.00 177.93 178.02 3hxz h SER 17 N 1.21 0.00 -0.61 3.26 4.64 -0.82 -1.26 113.55 119.96 3hxz h SER 17 Ca 0.32 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.46 3hxz h SER 17 Cb -0.08 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.90 3hxz h SER 17 CO -0.06 0.04 0.23 0.29 -0.87 0.00 0.00 176.83 176.46 3hxz n LYS 18 N -3.19 3.25 -0.98 4.77 4.76 -0.41 -4.91 118.16 121.44 3hxz n LYS 18 Ca -0.01 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 3hxz n LYS 18 Cb 0.26 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3hxz n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxz n GLY 19 N -0.07 0.50 3.73 0.72 0.00 -0.48 -5.02 105.19 104.57 3hxz n GLY 19 Ca 0.34 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3hxz n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxz s HIS 20 N -2.00 3.66 0.03 1.61 3.76 -0.20 -4.81 115.29 117.33 3hxz s HIS 20 Ca 0.00 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.03 3hxz s HIS 20 Cb 0.00 -2.87 -0.07 0.00 1.11 0.00 0.00 32.58 30.75 3hxz s HIS 20 CO 0.00 0.15 1.55 -1.14 -0.85 0.00 0.00 174.74 174.45 3hxz s GLN 21 N 0.47 4.23 -0.24 1.40 2.00 -0.47 -4.07 119.66 122.98 3hxz s GLN 21 Ca 0.41 2.16 -0.29 0.00 -2.00 0.00 0.00 55.36 55.63 3hxz s GLN 21 Cb -0.19 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3hxz s GLN 21 CO 0.22 -0.68 1.15 0.08 -0.50 0.00 0.00 175.29 175.56 3hxz s VAL 22 N 2.68 4.45 -0.06 1.34 1.01 -1.26 -0.87 120.40 127.69 3hxz s VAL 22 Ca 0.69 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.43 3hxz s VAL 22 Cb -0.36 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3hxz s VAL 22 CO 0.29 -0.28 -0.15 -0.69 0.00 0.00 0.00 175.10 174.28 3hxz s VAL 23 N 3.55 3.00 0.58 2.92 1.01 -0.62 -4.95 120.40 125.90 3hxz s VAL 23 Ca 0.49 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3hxz s VAL 23 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3hxz s VAL 23 CO 0.13 0.58 1.19 0.00 0.00 0.00 0.00 175.10 177.00 3hxz s ALA 24 N -0.59 2.58 0.29 5.51 0.00 -1.26 -4.42 121.76 123.87 3hxz s ALA 24 Ca 0.09 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 3hxz s ALA 24 Cb -0.11 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 3hxz s ALA 24 CO 0.01 -1.06 1.19 0.45 0.00 0.00 0.00 175.76 176.34 3hxz n SER 25 N -1.52 2.07 -4.71 0.00 2.88 -1.26 -4.96 113.62 106.12 3hxz n SER 25 Ca 0.13 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.56 3hxz n SER 25 Cb 0.50 -1.38 0.13 0.00 -0.75 0.00 0.00 64.21 62.71 3hxz n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hxz s SER 26 N -0.29 3.77 0.95 -3.46 1.04 -1.26 -5.01 113.70 109.45 3hxz s SER 26 Ca 0.60 0.79 -0.11 0.00 0.48 0.00 0.00 55.95 57.70 3hxz s SER 26 Cb -0.66 -1.25 0.16 0.00 0.10 0.00 0.00 66.02 64.38 3hxz s SER 26 CO 0.58 -2.37 1.09 -0.55 0.98 0.00 0.00 173.24 172.98 3hxz s SER 27 N -4.36 2.87 0.09 7.02 0.15 -1.26 -4.68 113.70 113.53 3hxz s SER 27 Ca 0.65 1.65 0.26 0.00 0.70 0.00 0.00 55.95 59.21 3hxz s SER 27 Cb -0.12 -2.30 1.00 0.00 -1.71 0.00 0.00 66.02 62.90 3hxz s SER 27 CO 0.52 -3.04 1.80 0.18 1.20 0.00 0.00 173.24 173.90 3hxz n LEU 28 N -4.16 0.31 -4.08 3.45 4.77 -1.26 -4.68 117.00 111.36 3hxz n LEU 28 Ca 0.07 0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 3hxz n LEU 28 Cb 0.54 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 41.03 3hxz n LEU 28 CO 0.55 -0.14 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.30 3hxz s VAL 29 N -3.06 2.11 0.43 4.08 1.01 -1.26 -0.46 120.40 123.25 3hxz s VAL 29 Ca 0.11 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.46 3hxz s VAL 29 Cb 0.15 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 3hxz s VAL 29 CO 0.50 0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.69 3hxz s PRO 30 N 1.17 3.95 -0.09 2.72 0.04 -1.26 -4.96 135.00 136.57 3hxz s PRO 30 Ca -0.05 1.63 0.17 0.00 0.04 0.00 0.00 61.00 62.80 3hxz s PRO 30 Cb -0.18 -2.45 -0.23 0.00 0.04 0.00 0.00 34.50 31.67 3hxz s PRO 30 CO -0.07 -0.35 0.39 1.58 0.04 0.00 0.00 177.00 178.59 3hxz n HIS 31 N -0.32 0.40 -2.08 0.56 -0.00 -1.26 -4.64 115.22 107.89 3hxz n HIS 31 Ca 0.06 0.14 -0.06 0.00 0.46 0.00 0.00 57.72 58.33 3hxz n HIS 31 Cb 0.49 -0.99 0.09 0.00 -0.12 0.00 0.00 29.99 29.46 3hxz n HIS 31 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hxz n ASN 32 N -2.78 2.71 -3.48 0.26 3.02 -1.26 -4.91 115.26 108.82 3hxz n ASN 32 Ca -0.21 -3.27 -0.27 0.00 -0.03 0.00 0.00 54.58 50.80 3hxz n ASN 32 Cb 1.00 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 39.62 3hxz n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hxz s ASP 33 N -3.27 2.97 0.30 6.41 -1.08 -1.26 -5.01 116.67 115.73 3hxz s ASP 33 Ca 0.40 -1.61 0.25 0.00 -0.52 0.00 0.00 52.55 51.07 3hxz s ASP 33 Cb 0.38 -0.22 1.05 0.00 -1.46 0.00 0.00 42.92 42.67 3hxz s ASP 33 CO -0.04 -0.37 1.75 1.55 0.52 0.00 0.00 175.17 178.57 3hxz h PRO 34 N 7.75 0.00 -0.00 4.34 0.13 -1.94 -2.81 132.00 139.46 3hxz h PRO 34 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3hxz h PRO 34 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3hxz h PRO 34 CO 0.34 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 178.20 3hxz n THR 35 N -2.35 0.00 -4.06 1.56 -2.24 -1.26 -4.85 114.28 101.08 3hxz n THR 35 Ca 0.02 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 3hxz n THR 35 Cb 0.23 0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 3hxz n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxz s LEU 36 N -2.52 2.66 0.00 3.22 2.96 -1.06 -5.01 118.68 118.92 3hxz s LEU 36 Ca 0.26 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3hxz s LEU 36 Cb 0.20 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3hxz s LEU 36 CO 0.50 -0.06 0.74 0.25 -1.32 0.00 0.00 176.35 176.45 3hxz h LEU 37 N 7.94 -0.19 -8.62 -0.68 5.85 -1.88 -3.45 115.31 114.28 3hxz h LEU 37 Ca -0.38 0.01 -0.40 0.00 0.84 0.00 0.00 57.88 57.95 3hxz h LEU 37 Cb 1.12 0.05 -0.17 0.00 0.37 0.00 0.00 40.66 42.02 3hxz h LEU 37 CO 0.59 -0.09 -0.75 -0.36 -0.34 0.00 0.00 178.44 177.49 3hxz s PHE 38 N -2.82 1.37 -0.08 1.25 0.08 -1.26 -4.71 117.98 111.81 3hxz s PHE 38 Ca -0.03 -0.60 -0.33 0.00 0.12 0.00 0.00 56.93 56.09 3hxz s PHE 38 Cb 0.00 -0.71 -0.11 0.00 -0.57 0.00 0.00 43.02 41.64 3hxz s PHE 38 CO 0.10 0.14 1.92 2.41 -0.10 0.00 0.00 175.22 179.69 3hxz n THR 39 N 0.35 0.61 0.15 0.64 -1.04 0.39 -4.84 114.28 110.54 3hxz n THR 39 Ca -0.14 -0.13 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 3hxz n THR 39 Cb 0.58 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 67.12 3hxz n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hxz n ASN 40 N 7.10 1.43 -3.48 8.00 0.23 -1.26 -1.14 115.26 126.14 3hxz n ASN 40 Ca 0.23 -1.24 -0.15 0.00 -0.53 0.00 0.00 54.58 52.88 3hxz n ASN 40 Cb 0.32 -0.01 -0.04 0.00 -2.08 0.00 0.00 39.78 37.97 3hxz n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxz s ALA 41 N -0.40 -1.70 0.51 -2.53 0.00 -1.26 -4.86 121.76 111.51 3hxz s ALA 41 Ca 0.05 0.98 0.20 0.00 0.00 0.00 0.00 51.96 53.19 3hxz s ALA 41 Cb 0.03 0.37 1.27 0.00 0.00 0.00 0.00 23.12 24.79 3hxz s ALA 41 CO 0.05 -0.54 2.04 0.78 0.00 0.00 0.00 175.76 178.09 3hxz h GLY 42 N 2.58 0.13 2.00 0.00 0.00 -1.90 -2.56 103.07 103.33 3hxz h GLY 42 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hxz h GLY 42 CO 0.39 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.95 3hxz h MET 43 N 0.10 0.00 -0.63 4.80 -0.00 -1.96 -3.35 114.93 113.89 3hxz h MET 43 Ca 0.18 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 60.01 3hxz h MET 43 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.09 3hxz h MET 43 CO -0.02 0.00 0.04 -0.91 -0.00 0.00 0.00 176.91 176.02 3hxz h ASN 44 N 0.00 -0.21 0.58 -0.10 -0.26 -1.87 0.65 115.58 114.36 3hxz h ASN 44 Ca 0.00 0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3hxz h ASN 44 Cb 0.55 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3hxz h ASN 44 CO 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 177.43 176.28 3hxz n GLN 45 N -5.25 0.10 -0.16 0.81 10.64 -1.26 -2.08 117.38 120.19 3hxz n GLN 45 Ca 0.10 0.14 0.05 0.00 -1.83 0.00 0.00 57.00 55.46 3hxz n GLN 45 Cb 0.37 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.39 3hxz n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hxz n PHE 46 N -1.43 0.42 -0.17 2.61 3.72 0.14 -4.75 117.46 118.00 3hxz n PHE 46 Ca 0.06 -0.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.97 3hxz n PHE 46 Cb 0.21 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 3hxz n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxz h LYS 47 N 2.00 -0.07 0.00 -1.08 3.64 -0.77 0.06 116.57 120.36 3hxz h LYS 47 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3hxz h LYS 47 Cb 0.71 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hxz h LYS 47 CO 0.00 -0.05 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.57 3hxz h ASP 48 N -0.07 0.00 -0.12 4.20 3.32 -1.85 -1.88 116.42 120.02 3hxz h ASP 48 Ca 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3hxz h ASP 48 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3hxz h ASP 48 CO -0.59 0.13 -0.09 0.58 -1.72 0.00 0.00 179.24 177.55 3hxz h VAL 49 N 0.00 1.34 -0.45 -1.35 2.07 -1.15 0.82 116.25 117.53 3hxz h VAL 49 Ca -0.00 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.34 3hxz h VAL 49 Cb 0.57 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3hxz h VAL 49 CO 0.02 0.35 0.30 -0.26 0.02 0.00 0.00 177.57 177.99 3hxz h PHE 50 N -0.10 0.52 0.00 1.57 0.04 -0.98 -0.97 116.94 117.02 3hxz h PHE 50 Ca 0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3hxz h PHE 50 Cb 0.59 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3hxz h PHE 50 CO 0.08 0.31 0.00 1.28 -0.60 0.00 0.00 178.31 179.38 3hxz n LEU 51 N -4.47 0.48 -0.07 1.54 4.77 -0.74 -4.61 117.00 113.91 3hxz n LEU 51 Ca 0.04 0.57 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 3hxz n LEU 51 Cb 0.11 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3hxz n LEU 51 CO 0.35 -0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 176.79 3hxz n GLY 52 N 0.93 0.47 0.08 -0.72 0.00 -0.37 -4.68 105.19 100.91 3hxz n GLY 52 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.40 3hxz n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hxz n LEU 53 N -0.10 0.53 -4.12 0.99 4.77 0.20 -4.87 117.00 114.40 3hxz n LEU 53 Ca -0.01 0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 3hxz n LEU 53 Cb 0.04 0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.06 3hxz n LEU 53 CO 0.01 0.11 -0.52 -0.62 -1.33 0.00 0.00 177.39 175.04 3hxz s ASP 54 N -5.37 2.59 -0.08 -1.43 2.15 -0.67 -4.98 116.67 108.88 3hxz s ASP 54 Ca -0.05 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.49 3hxz s ASP 54 Cb 0.10 -1.18 -0.02 0.00 -0.30 0.00 0.00 42.92 41.51 3hxz s ASP 54 CO 0.83 0.08 -0.13 -0.75 -0.17 0.00 0.00 175.17 175.04 3hxz s LYS 55 N 0.65 2.82 0.33 4.34 2.20 -1.26 -4.01 119.74 124.81 3hxz s LYS 55 Ca -0.13 -0.67 0.08 0.00 -0.36 0.00 0.00 55.97 54.89 3hxz s LYS 55 Cb -0.16 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 3hxz s LYS 55 CO 0.04 0.50 0.15 1.03 -0.36 0.00 0.00 175.35 176.71 3hxz s ARG 56 N -0.40 2.44 0.00 4.03 1.81 -1.26 -5.01 118.95 120.55 3hxz s ARG 56 Ca 0.05 -1.48 0.28 0.00 -1.72 0.00 0.00 55.73 52.86 3hxz s ARG 56 Cb -0.12 -2.23 1.32 0.00 -0.45 0.00 0.00 34.95 33.46 3hxz s ARG 56 CO 0.02 0.15 1.93 0.09 -0.68 0.00 0.00 175.30 176.81 3hxz n ASN 57 N -1.16 0.00 -4.46 0.23 3.02 -1.26 -4.77 115.26 106.86 3hxz n ASN 57 Ca -0.03 0.15 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 3hxz n ASN 57 Cb 0.61 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 3hxz n ASN 57 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hxz s TYR 58 N -2.76 2.41 -1.30 3.10 -0.85 -1.26 -5.04 117.35 111.66 3hxz s TYR 58 Ca 0.21 -0.32 0.11 0.00 -0.52 0.00 0.00 57.07 56.55 3hxz s TYR 58 Cb 0.19 -1.24 0.07 0.00 0.38 0.00 0.00 41.96 41.36 3hxz s TYR 58 CO 0.46 0.44 0.81 -1.13 -1.52 0.00 0.00 175.55 174.61 3hxz n SER 59 N 0.48 1.79 -3.79 -0.18 3.41 -1.26 -4.95 113.62 109.12 3hxz n SER 59 Ca -0.14 -1.39 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 3hxz n SER 59 Cb 0.54 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 3hxz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxz s ARG 60 N -1.01 0.34 0.12 4.33 1.70 -1.26 -0.40 118.95 122.77 3hxz s ARG 60 Ca 0.12 0.28 -0.08 0.00 -0.47 0.00 0.00 55.73 55.59 3hxz s ARG 60 Cb 0.09 0.16 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3hxz s ARG 60 CO 0.16 -0.05 0.21 0.00 -1.08 0.00 0.00 175.30 174.54 3hxz s ALA 61 N -0.04 -0.00 -0.06 7.88 0.00 -0.53 -1.37 121.76 127.64 3hxz s ALA 61 Ca -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 3hxz s ALA 61 Cb -0.02 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3hxz s ALA 61 CO 0.01 -0.56 0.14 -0.08 0.00 0.00 0.00 175.76 175.27 3hxz s THR 62 N -3.92 -0.01 0.05 0.00 -1.32 -0.05 -0.20 115.64 110.18 3hxz s THR 62 Ca 0.12 0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 3hxz s THR 62 Cb 0.05 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 3hxz s THR 62 CO -0.05 0.02 0.05 0.42 -2.21 0.00 0.00 174.62 172.85 3hxz s THR 63 N 0.41 0.17 -0.42 5.08 -4.23 -0.81 -1.59 115.64 114.26 3hxz s THR 63 Ca -0.03 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3hxz s THR 63 Cb -0.04 -1.22 0.11 0.00 1.34 0.00 0.00 72.50 72.69 3hxz s THR 63 CO -0.02 -0.78 0.23 -0.55 -0.54 0.00 0.00 174.62 172.95 3hxz s SER 64 N -2.59 5.34 -0.22 3.99 0.15 -1.26 -1.03 113.70 118.09 3hxz s SER 64 Ca 0.02 -2.00 -0.13 0.00 0.70 0.00 0.00 55.95 54.54 3hxz s SER 64 Cb 0.04 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 3hxz s SER 64 CO -0.08 -0.57 0.26 -1.58 1.20 0.00 0.00 173.24 172.47 3hxz s GLN 65 N 1.18 4.13 0.10 5.44 2.00 0.09 -4.30 119.66 128.31 3hxz s GLN 65 Ca 0.08 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 53.07 3hxz s GLN 65 Cb -0.23 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 3hxz s GLN 65 CO -0.04 0.05 1.20 -0.98 -0.50 0.00 0.00 175.29 175.03 3hxz s ARG 66 N 1.06 4.45 0.06 1.67 1.70 -1.26 -0.81 118.95 125.82 3hxz s ARG 66 Ca 0.13 1.81 0.05 0.00 -0.47 0.00 0.00 55.73 57.25 3hxz s ARG 66 Cb -0.14 -3.31 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 3hxz s ARG 66 CO 0.05 -0.21 -0.15 0.00 -1.08 0.00 0.00 175.30 173.91 3hxz s VAL 68 N -1.09 1.30 -0.67 0.00 1.01 -0.29 -1.38 120.40 119.28 3hxz s VAL 68 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3hxz s VAL 68 Cb -0.09 -1.24 0.17 0.00 0.00 0.00 0.00 36.38 35.22 3hxz s VAL 68 CO 0.02 0.41 0.48 -0.13 0.00 0.00 0.00 175.10 175.88 3hxz s ARG 69 N 1.33 2.56 -0.00 2.72 0.52 0.01 -4.35 118.95 121.74 3hxz s ARG 69 Ca -0.01 -2.89 0.01 0.00 -0.52 0.00 0.00 55.73 52.32 3hxz s ARG 69 Cb -0.14 -3.62 0.01 0.00 0.52 0.00 0.00 34.95 31.72 3hxz s ARG 69 CO -0.06 -1.20 1.00 0.00 0.02 0.00 0.00 175.30 175.07 3hxz n ALA 70 N 2.83 2.01 0.00 2.13 0.00 -1.24 -0.68 120.51 125.55 3hxz n ALA 70 Ca 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3hxz n ALA 70 Cb 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3hxz n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxz n GLY 71 N -0.04 0.06 7.00 0.00 0.00 -1.25 -4.88 105.19 106.07 3hxz n GLY 71 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3hxz n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxz n GLY 72 N -0.24 0.96 0.27 -0.02 0.00 -1.26 -3.80 105.19 101.09 3hxz n GLY 72 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 3hxz n GLY 72 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hxz h LYS 73 N 0.00 0.91 -4.79 1.61 1.63 -1.95 -3.39 116.57 110.59 3hxz h LYS 73 Ca 0.00 -0.18 -0.67 0.00 -0.85 0.00 0.00 60.65 58.95 3hxz h LYS 73 Cb 0.00 -0.14 -0.37 0.00 -0.60 0.00 0.00 32.23 31.12 3hxz h LYS 73 CO 0.00 0.80 -0.75 -1.01 -3.45 0.00 0.00 179.45 175.03 3hxz s HIS 74 N -5.48 3.43 -0.18 1.91 3.76 -1.25 -5.08 115.29 112.40 3hxz s HIS 74 Ca -0.13 -2.48 -0.02 0.00 -0.15 0.00 0.00 55.06 52.29 3hxz s HIS 74 Cb 0.13 -2.30 0.05 0.00 1.11 0.00 0.00 32.58 31.57 3hxz s HIS 74 CO 0.80 -0.90 -0.00 1.21 -0.85 0.00 0.00 174.74 175.00 3hxz s ASN 75 N 1.09 2.93 -0.06 1.40 3.84 -1.26 -3.64 114.94 119.24 3hxz s ASN 75 Ca -0.02 -0.78 0.11 0.00 0.21 0.00 0.00 52.86 52.38 3hxz s ASN 75 Cb -0.20 -0.76 0.31 0.00 -0.55 0.00 0.00 41.25 40.05 3hxz s ASN 75 CO -0.05 -0.26 1.24 0.47 -2.79 0.00 0.00 177.10 175.71 3hxz n ASP 76 N 4.95 2.95 -0.24 -4.21 8.00 0.14 -4.74 116.55 123.40 3hxz n ASP 76 Ca -0.10 -2.35 0.04 0.00 0.71 0.00 0.00 54.79 53.09 3hxz n ASP 76 Cb 0.47 -0.29 0.17 0.00 -0.02 0.00 0.00 41.12 41.45 3hxz n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxz h LEU 77 N 1.42 0.23 0.00 0.64 5.85 -1.86 -1.11 115.31 120.48 3hxz h LEU 77 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hxz h LEU 77 Cb 0.89 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3hxz h LEU 77 CO 0.06 0.09 0.00 -0.62 -0.34 0.00 0.00 178.44 177.63 3hxz n GLU 78 N -5.02 0.21 0.13 1.25 -0.58 -1.26 -2.60 120.64 112.76 3hxz n GLU 78 Ca 0.13 0.05 0.09 0.00 -0.42 0.00 0.00 57.16 57.00 3hxz n GLU 78 Cb 0.39 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.79 3hxz n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hxz h ASN 79 N 0.00 0.00 -2.78 1.62 2.35 -1.55 -3.45 115.58 111.76 3hxz h ASN 79 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3hxz h ASN 79 Cb 0.33 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.74 3hxz h ASN 79 CO 0.00 0.16 0.91 -0.69 -1.65 0.00 0.00 177.43 176.16 3hxz s VAL 80 N -3.20 2.76 0.00 2.81 1.01 -1.07 -1.26 120.40 121.46 3hxz s VAL 80 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3hxz s VAL 80 Cb 0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hxz s VAL 80 CO 0.76 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3hxz n GLY 81 N 3.83 2.51 0.01 4.51 0.00 -1.26 -4.82 105.19 109.96 3hxz n GLY 81 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3hxz n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxz n TYR 82 N -2.00 0.00 -4.35 1.61 4.01 -0.39 -4.96 117.16 111.09 3hxz n TYR 82 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3hxz n TYR 82 Cb 0.00 -0.30 -0.10 0.00 -0.31 0.00 0.00 39.34 38.63 3hxz n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxz s THR 83 N -3.11 1.14 -2.44 -0.72 -4.23 -1.04 -5.03 115.64 100.21 3hxz s THR 83 Ca -0.03 -2.05 0.28 0.00 -1.18 0.00 0.00 61.69 58.71 3hxz s THR 83 Cb 0.12 -2.38 0.57 0.00 1.34 0.00 0.00 72.50 72.15 3hxz s THR 83 CO 0.76 -0.31 1.77 0.00 -0.54 0.00 0.00 174.62 176.30 3hxz n ALA 84 N -0.46 2.58 0.00 3.99 0.00 -1.26 -4.31 120.51 121.05 3hxz n ALA 84 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3hxz n ALA 84 Cb 0.64 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3hxz n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxz n ARG 85 N 0.09 4.80 -3.99 0.00 1.85 -1.26 -1.12 116.66 117.05 3hxz n ARG 85 Ca 0.19 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.69 3hxz n ARG 85 Cb 0.33 -0.48 -0.09 0.00 -1.05 0.00 0.00 32.46 31.18 3hxz n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxz s HIS 86 N -0.91 3.33 0.24 2.89 3.76 -1.26 -4.98 115.29 118.36 3hxz s HIS 86 Ca 0.00 0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3hxz s HIS 86 Cb 0.00 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 3hxz s HIS 86 CO 0.00 0.33 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.15 3hxz s HIS 87 N -0.07 1.75 -0.12 1.40 3.76 -1.26 -4.51 115.29 116.24 3hxz s HIS 87 Ca 0.07 -0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 54.07 3hxz s HIS 87 Cb -0.12 -0.96 -0.16 0.00 1.11 0.00 0.00 32.58 32.45 3hxz s HIS 87 CO 0.01 0.19 0.51 1.79 -0.85 0.00 0.00 174.74 176.40 3hxz h THR 88 N 2.42 1.06 -3.12 1.30 1.35 -1.85 -3.43 112.91 110.64 3hxz h THR 88 Ca -0.39 -1.74 -0.61 0.00 -0.55 0.00 0.00 66.41 63.12 3hxz h THR 88 Cb 1.22 1.99 -0.10 0.00 -1.73 0.00 0.00 68.15 69.53 3hxz h THR 88 CO 0.65 0.35 -0.43 0.12 -0.25 0.00 0.00 175.52 175.96 3hxz s PHE 89 N -2.12 3.48 0.24 4.73 5.36 -1.26 -0.81 117.98 127.60 3hxz s PHE 89 Ca -0.12 0.47 -0.21 0.00 -0.96 0.00 0.00 56.93 56.11 3hxz s PHE 89 Cb -0.02 -2.16 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3hxz s PHE 89 CO 0.42 0.39 0.67 -0.59 -1.46 0.00 0.00 175.22 174.66 3hxz s PHE 90 N 0.01 -0.25 -0.11 10.12 -0.12 -0.48 -4.90 117.98 122.25 3hxz s PHE 90 Ca 0.12 -0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 56.85 3hxz s PHE 90 Cb -0.12 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 3hxz s PHE 90 CO 0.01 -1.11 -0.03 -1.21 -0.05 0.00 0.00 175.22 172.83 3hxz s GLU 91 N -3.88 3.17 -0.24 1.99 2.02 -1.26 -0.18 118.70 120.33 3hxz s GLU 91 Ca 0.09 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.49 3hxz s GLU 91 Cb -0.04 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 3hxz s GLU 91 CO 0.01 0.52 0.13 -1.64 0.02 0.00 0.00 175.26 174.31 3hxz s MET 92 N -0.40 3.98 -0.43 1.61 -1.94 0.01 -1.59 119.30 120.55 3hxz s MET 92 Ca 0.07 -0.32 -0.23 0.00 -1.71 0.00 0.00 55.69 53.50 3hxz s MET 92 Cb -0.12 -3.47 0.02 0.00 2.01 0.00 0.00 34.83 33.27 3hxz s MET 92 CO 0.02 0.04 0.79 -0.51 -0.01 0.00 0.00 175.02 175.35 3hxz s LEU 93 N 1.09 4.21 0.08 -0.03 1.43 0.54 -0.73 118.68 125.27 3hxz s LEU 93 Ca 0.06 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 3hxz s LEU 93 Cb -0.14 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 3hxz s LEU 93 CO 0.04 -0.89 -0.22 -0.83 0.23 0.00 0.00 176.35 174.68 3hxz s GLY 94 N 2.08 1.26 0.10 -3.19 0.00 -0.19 -0.25 107.32 107.13 3hxz s GLY 94 Ca 0.31 -1.21 0.10 0.00 0.00 0.00 0.00 44.72 43.91 3hxz s GLY 94 CO 0.22 -1.17 -0.25 0.54 0.00 0.00 0.00 173.10 172.44 3hxz s ASN 95 N -1.59 3.00 -0.01 1.64 4.22 -1.24 -1.93 114.94 119.02 3hxz s ASN 95 Ca 0.08 -0.69 0.02 0.00 -2.14 0.00 0.00 52.86 50.13 3hxz s ASN 95 Cb -0.10 -0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.23 3hxz s ASN 95 CO 0.03 0.16 -0.05 -0.36 -2.04 0.00 0.00 177.10 174.84 3hxz s PHE 96 N -1.02 0.55 -0.22 1.54 0.08 0.73 -1.85 117.98 117.79 3hxz s PHE 96 Ca 0.11 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3hxz s PHE 96 Cb -0.10 -0.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.98 3hxz s PHE 96 CO 0.04 -0.05 -0.15 0.45 -0.10 0.00 0.00 175.22 175.42 3hxz s SER 97 N 0.15 3.74 -1.05 1.36 0.15 -0.48 -1.46 113.70 116.11 3hxz s SER 97 Ca -0.01 -0.90 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 3hxz s SER 97 Cb -0.06 -1.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.98 3hxz s SER 97 CO -0.00 -0.08 1.04 -0.36 1.20 0.00 0.00 173.24 175.04 3hxz s PHE 98 N 1.24 4.17 -1.33 3.44 0.40 0.47 -1.40 117.98 124.98 3hxz s PHE 98 Ca 0.00 -2.55 -0.01 0.00 -0.60 0.00 0.00 56.93 53.77 3hxz s PHE 98 Cb -0.16 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.54 3hxz s PHE 98 CO -0.09 -0.96 0.11 0.41 0.70 0.00 0.00 175.22 175.39 3hxz n GLY 99 N 2.96 -0.28 0.00 4.36 0.00 -1.26 -4.84 105.19 106.13 3hxz n GLY 99 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hxz n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxz n ASP 100 N -1.17 0.00 -4.91 1.61 -0.08 -1.26 -5.08 116.55 105.66 3hxz n ASP 100 Ca -0.17 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.84 3hxz n ASP 100 Cb 0.63 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.14 3hxz n ASP 100 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hxz s TYR 101 N 1.69 3.15 0.00 -0.67 -0.85 -1.26 -5.10 117.35 114.30 3hxz s TYR 101 Ca 0.00 0.66 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 3hxz s TYR 101 Cb 0.00 -2.97 0.00 0.00 0.38 0.00 0.00 41.96 39.37 3hxz s TYR 101 CO 0.00 -1.11 0.00 0.34 -1.52 0.00 0.00 175.55 173.26 3hxz n PHE 102 N -2.80 0.00 0.25 -3.49 7.35 -1.26 -4.61 117.46 112.91 3hxz n PHE 102 Ca 0.06 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.59 3hxz n PHE 102 Cb 0.59 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.34 3hxz n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxz h LYS 103 N 0.00 -0.68 0.12 -4.13 1.57 -1.99 -1.81 116.57 109.66 3hxz h LYS 103 Ca 0.00 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hxz h LYS 103 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hxz h LYS 103 CO 0.00 -0.45 -0.06 1.25 -0.57 0.00 0.00 179.45 179.62 3hxz h LEU 104 N -0.70 -0.14 -1.04 2.94 5.85 -1.97 -2.30 115.31 117.94 3hxz h LEU 104 Ca -0.04 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3hxz h LEU 104 Cb 0.59 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3hxz h LEU 104 CO 0.02 -0.08 -0.41 0.44 -0.34 0.00 0.00 178.44 178.08 3hxz h ASP 105 N -0.19 0.14 -0.38 1.25 3.32 -1.96 -0.76 116.42 117.84 3hxz h ASP 105 Ca -0.02 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hxz h ASP 105 Cb 0.15 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3hxz h ASP 105 CO 0.03 0.54 0.21 0.00 -1.72 0.00 0.00 179.24 178.30 3hxz h ALA 106 N 1.47 0.49 -0.51 3.45 0.00 -1.19 -0.80 119.26 122.17 3hxz h ALA 106 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hxz h ALA 106 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hxz h ALA 106 CO 0.06 0.01 -0.10 0.82 0.00 0.00 0.00 179.25 180.04 3hxz h ILE 107 N 0.49 1.27 -0.44 0.00 2.04 -1.09 -2.65 117.51 117.13 3hxz h ILE 107 Ca 0.13 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 3hxz h ILE 107 Cb 0.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3hxz h ILE 107 CO -0.02 0.43 0.07 -0.07 0.00 0.00 0.00 178.15 178.56 3hxz h LEU 108 N 0.83 0.70 -0.41 1.44 3.38 -1.00 -1.13 115.31 119.12 3hxz h LEU 108 Ca 0.13 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hxz h LEU 108 Cb 0.65 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3hxz h LEU 108 CO 0.05 0.79 0.13 -0.26 0.09 0.00 0.00 178.44 179.24 3hxz h PHE 109 N 0.59 0.23 -0.12 1.13 0.05 -1.11 -0.22 116.94 117.49 3hxz h PHE 109 Ca 0.13 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.93 3hxz h PHE 109 Cb 0.39 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.29 3hxz h PHE 109 CO 0.03 0.08 0.04 0.00 -0.18 0.00 0.00 178.31 178.27 3hxz h ALA 110 N 1.28 0.16 -0.73 2.45 0.00 -1.28 -1.95 119.26 119.19 3hxz h ALA 110 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hxz h ALA 110 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hxz h ALA 110 CO -0.21 -0.21 0.38 2.35 0.00 0.00 0.00 179.25 181.55 3hxz h TRP 111 N 0.01 1.03 0.07 0.00 2.91 -1.08 -1.52 115.95 117.37 3hxz h TRP 111 Ca 0.04 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 3hxz h TRP 111 Cb 0.23 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.56 3hxz h TRP 111 CO 0.00 0.74 -0.03 1.25 -1.03 0.00 0.00 178.44 179.37 3hxz h LEU 112 N 1.02 -0.08 -0.63 0.65 5.85 -0.93 0.13 115.31 121.31 3hxz h LEU 112 Ca 0.26 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hxz h LEU 112 Cb 0.08 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3hxz h LEU 112 CO -0.04 -0.04 0.41 0.25 -0.34 0.00 0.00 178.44 178.69 3hxz h LEU 113 N -0.11 0.74 -0.32 2.25 5.85 -1.20 -0.61 115.31 121.91 3hxz h LEU 113 Ca -0.01 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 3hxz h LEU 113 Cb 0.09 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hxz h LEU 113 CO 0.02 0.55 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.26 3hxz h LEU 114 N 0.86 0.85 0.00 2.25 3.38 -1.12 -1.16 115.31 120.37 3hxz h LEU 114 Ca 0.23 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hxz h LEU 114 Cb -0.08 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3hxz h LEU 114 CO -0.05 1.15 -0.62 0.35 0.09 0.00 0.00 178.44 179.37 3hxz n THR 115 N -4.18 0.00 -2.06 0.22 -2.24 0.02 -0.01 114.28 106.02 3hxz n THR 115 Ca -0.03 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.06 3hxz n THR 115 Cb 0.50 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 3hxz n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxz s SER 116 N -1.95 6.57 0.62 3.42 0.15 -0.24 -4.26 113.70 118.00 3hxz s SER 116 Ca 0.01 2.71 0.36 0.00 0.70 0.00 0.00 55.95 59.73 3hxz s SER 116 Cb 0.04 -2.65 2.03 0.00 -1.71 0.00 0.00 66.02 63.74 3hxz s SER 116 CO 0.25 -0.68 2.28 1.05 1.20 0.00 0.00 173.24 177.35 3hxz h GLU 117 N 3.09 0.00 0.00 5.44 4.11 -1.93 -1.07 114.58 124.22 3hxz h GLU 117 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3hxz h GLU 117 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hxz h GLU 117 CO 0.64 0.01 -0.21 1.63 0.07 0.00 0.00 179.01 181.15 3hxz n LYS 118 N -3.50 0.16 0.00 1.06 5.02 -1.26 -4.79 118.16 114.85 3hxz n LYS 118 Ca -0.03 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hxz n LYS 118 Cb 0.10 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3hxz n LYS 118 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3hxz n TRP 119 N -1.91 0.00 0.24 2.13 7.02 -0.50 -5.00 117.44 119.43 3hxz n TRP 119 Ca 0.05 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.66 3hxz n TRP 119 Cb 0.39 0.00 0.47 0.00 -2.42 0.00 0.00 31.31 29.75 3hxz n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxz h PHE 120 N 0.00 0.00 -6.36 -5.99 0.04 -1.29 -3.48 116.94 99.86 3hxz h PHE 120 Ca 0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 3hxz h PHE 120 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3hxz h PHE 120 CO 0.00 0.11 -0.80 0.00 -0.60 0.00 0.00 178.31 177.02 3hxz n ALA 121 N -2.15 -1.52 -1.78 2.45 0.00 -0.64 -4.90 120.51 111.98 3hxz n ALA 121 Ca 0.01 0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 3hxz n ALA 121 Cb 0.42 -3.44 -0.02 0.00 0.00 0.00 0.00 19.45 16.42 3hxz n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxz s LEU 122 N -7.12 3.99 -0.10 0.00 1.43 0.99 -4.94 118.68 112.93 3hxz s LEU 122 Ca 0.46 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.48 3hxz s LEU 122 Cb -0.24 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.63 3hxz s LEU 122 CO 0.85 -0.85 1.94 -2.84 0.23 0.00 0.00 176.35 175.68 3hxz s PRO 123 N -2.77 3.78 0.40 1.29 0.02 -1.26 -4.61 135.00 131.86 3hxz s PRO 123 Ca 0.64 2.21 0.08 0.00 0.02 0.00 0.00 61.00 63.95 3hxz s PRO 123 Cb -0.26 -4.18 0.86 0.00 0.02 0.00 0.00 34.50 30.94 3hxz s PRO 123 CO 0.31 -1.35 2.01 0.87 -0.33 0.00 0.00 177.00 178.51 3hxz h LYS 124 N 11.81 0.58 0.00 5.54 1.57 -1.92 -2.24 116.57 131.91 3hxz h LYS 124 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hxz h LYS 124 Cb 1.22 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3hxz h LYS 124 CO 0.96 0.38 0.00 1.05 -0.57 0.00 0.00 179.45 181.27 3hxz h GLU 125 N 0.59 0.00 -0.11 3.15 9.09 -2.03 -2.04 114.58 123.23 3hxz h GLU 125 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 3hxz h GLU 125 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 3hxz h GLU 125 CO -0.06 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.54 3hxz n ARG 126 N -2.48 2.12 -3.72 1.06 1.74 -0.84 -4.90 116.66 109.64 3hxz n ARG 126 Ca 0.01 -1.65 -0.35 0.00 -0.77 0.00 0.00 57.85 55.08 3hxz n ARG 126 Cb 0.19 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 3hxz n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxz s LEU 127 N -1.86 4.19 0.18 0.55 1.43 -0.77 -0.97 118.68 121.43 3hxz s LEU 127 Ca 0.33 0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.75 3hxz s LEU 127 Cb 0.20 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3hxz s LEU 127 CO 0.31 0.16 -0.21 0.26 0.23 0.00 0.00 176.35 177.10 3hxz s TRP 128 N 0.48 2.40 0.08 0.29 0.52 -0.11 -4.97 118.94 117.63 3hxz s TRP 128 Ca 0.08 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.93 3hxz s TRP 128 Cb -0.11 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 3hxz s TRP 128 CO -0.01 0.47 -0.15 0.14 0.02 0.00 0.00 176.95 177.42 3hxz s VAL 129 N -1.56 1.21 0.11 4.03 -7.23 -0.56 0.10 120.40 116.50 3hxz s VAL 129 Ca 0.21 -1.37 0.10 0.00 -1.81 0.00 0.00 61.98 59.11 3hxz s VAL 129 Cb -0.09 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3hxz s VAL 129 CO 0.11 -0.22 -0.27 0.42 -0.31 0.00 0.00 175.10 174.84 3hxz s THR 130 N -1.32 2.24 0.11 5.32 -4.23 -0.19 -0.97 115.64 116.60 3hxz s THR 130 Ca -0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3hxz s THR 130 Cb -0.10 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 3hxz s THR 130 CO 0.03 0.17 -0.11 0.68 -0.54 0.00 0.00 174.62 174.85 3hxz s VAL 131 N -0.99 1.07 0.25 2.29 -7.23 0.12 -1.89 120.40 114.02 3hxz s VAL 131 Ca 0.13 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 3hxz s VAL 131 Cb -0.10 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 3hxz s VAL 131 CO 0.05 -0.59 1.48 -0.47 -0.31 0.00 0.00 175.10 175.27 3hxz s TYR 132 N -2.63 2.97 0.28 2.82 5.04 -1.23 -0.65 117.35 123.95 3hxz s TYR 132 Ca 0.09 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.68 3hxz s TYR 132 Cb -0.02 -3.88 0.67 0.00 0.35 0.00 0.00 41.96 39.08 3hxz s TYR 132 CO 0.01 -2.93 1.70 1.49 -1.34 0.00 0.00 175.55 174.48 3hxz h GLU 133 N 5.17 0.40 -0.00 4.97 4.81 -1.31 0.20 114.58 128.81 3hxz h GLU 133 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hxz h GLU 133 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3hxz h GLU 133 CO 0.79 0.26 -0.06 -1.13 -0.73 0.00 0.00 179.01 178.15 3hxz n SER 134 N -5.04 0.12 -4.22 1.04 3.41 -1.26 -4.54 113.62 103.12 3hxz n SER 134 Ca 0.20 0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 3hxz n SER 134 Cb 0.60 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3hxz n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxz n ASP 135 N -1.32 4.78 0.20 4.04 -0.08 0.69 -4.74 116.55 120.13 3hxz n ASP 135 Ca 0.11 -2.95 0.04 0.00 -1.51 0.00 0.00 54.79 50.48 3hxz n ASP 135 Cb 0.29 -1.64 0.43 0.00 2.34 0.00 0.00 41.12 42.54 3hxz n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxz h ASP 136 N 6.75 0.00 -0.31 1.67 3.32 -1.82 -2.62 116.42 123.42 3hxz h ASP 136 Ca 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 3hxz h ASP 136 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3hxz h ASP 136 CO 1.54 0.29 0.09 -0.33 -1.72 0.00 0.00 179.24 179.11 3hxz h GLU 137 N 0.00 0.49 -0.61 3.56 5.08 -1.97 -1.59 114.58 119.54 3hxz h GLU 137 Ca -0.00 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hxz h GLU 137 Cb 0.51 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3hxz h GLU 137 CO 0.04 0.54 0.20 0.00 -1.00 0.00 0.00 179.01 178.78 3hxz h ALA 138 N 0.93 0.80 -0.23 3.43 0.00 -1.91 -1.78 119.26 120.49 3hxz h ALA 138 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hxz h ALA 138 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3hxz h ALA 138 CO -0.00 0.46 -0.00 -0.92 0.00 0.00 0.00 179.25 178.79 3hxz h TYR 139 N 0.87 -0.01 -0.99 0.00 3.20 -1.37 -2.22 116.97 116.45 3hxz h TYR 139 Ca 0.20 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3hxz h TYR 139 Cb 0.28 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3hxz h TYR 139 CO 0.02 -0.04 0.65 1.49 -1.64 0.00 0.00 178.16 178.65 3hxz h GLU 140 N 0.07 1.30 0.01 1.82 4.22 -1.09 -1.19 114.58 119.72 3hxz h GLU 140 Ca 0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 3hxz h GLU 140 Cb 0.14 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3hxz h GLU 140 CO -0.19 0.86 -0.01 0.82 -2.18 0.00 0.00 179.01 178.32 3hxz h ILE 141 N 1.34 1.05 -0.40 2.32 2.04 -1.02 0.22 117.51 123.06 3hxz h ILE 141 Ca 0.36 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3hxz h ILE 141 Cb -0.16 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3hxz h ILE 141 CO -0.08 0.05 0.21 -0.50 0.00 0.00 0.00 178.15 177.83 3hxz h TRP 142 N -0.10 0.56 0.07 1.37 4.06 -1.25 0.37 115.95 121.04 3hxz h TRP 142 Ca -0.00 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3hxz h TRP 142 Cb 0.10 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 3hxz h TRP 142 CO -0.05 0.45 -0.03 1.49 -3.56 0.00 0.00 178.44 176.74 3hxz h GLU 143 N 0.52 -0.09 0.00 0.49 4.81 -1.11 0.34 114.58 119.53 3hxz h GLU 143 Ca 0.14 0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 59.01 3hxz h GLU 143 Cb 0.08 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 3hxz h GLU 143 CO -0.02 0.30 -2.37 1.63 -0.73 0.00 0.00 179.01 177.82 3hxz n LYS 144 N -4.94 0.70 0.04 1.92 5.02 0.77 -3.07 118.16 118.60 3hxz n LYS 144 Ca -0.08 0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 3hxz n LYS 144 Cb 0.23 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 3hxz n LYS 144 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hxz h GLU 145 N 0.00 0.30 0.06 1.97 4.39 -1.18 -3.39 114.58 116.73 3hxz h GLU 145 Ca -0.54 -0.51 -0.26 0.00 0.34 0.00 0.00 59.36 58.39 3hxz h GLU 145 Cb 1.97 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.79 3hxz h GLU 145 CO -0.05 1.24 -1.36 0.28 -1.16 0.00 0.00 179.01 177.97 3hxz h VAL 146 N -0.32 0.95 -0.03 3.13 2.07 -1.04 -3.50 116.25 117.52 3hxz h VAL 146 Ca -0.20 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3hxz h VAL 146 Cb 1.71 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 3hxz h VAL 146 CO 0.13 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.90 3hxz n GLY 147 N 1.65 1.61 3.70 2.17 0.00 -0.03 -5.03 105.19 109.26 3hxz n GLY 147 Ca -0.28 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3hxz n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxz s ILE 148 N -2.03 3.70 0.32 -0.61 -1.09 -0.39 -4.99 121.20 116.12 3hxz s ILE 148 Ca 0.00 1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.29 3hxz s ILE 148 Cb 0.00 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 37.01 3hxz s ILE 148 CO 0.00 0.04 1.31 -2.65 -1.23 0.00 0.00 174.94 172.41 3hxz n PRO 149 N 4.70 2.11 -0.08 2.79 -0.02 -1.26 -4.42 135.00 138.81 3hxz n PRO 149 Ca 0.12 0.74 0.21 0.00 -2.02 0.00 0.00 63.50 62.55 3hxz n PRO 149 Cb 0.44 -2.34 0.65 0.00 -0.02 0.00 0.00 33.50 32.24 3hxz n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxz h ARG 150 N 2.92 0.09 0.00 -0.52 3.08 -1.94 -0.63 114.38 117.39 3hxz h ARG 150 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hxz h ARG 150 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3hxz h ARG 150 CO 0.65 0.06 0.00 -0.85 -1.07 0.00 0.00 179.97 178.77 3hxz n GLU 151 N -4.38 0.14 -0.28 0.04 0.00 -1.26 -1.69 120.64 113.21 3hxz n GLU 151 Ca 0.13 0.44 0.07 0.00 0.00 0.00 0.00 57.16 57.80 3hxz n GLU 151 Cb 0.67 -1.81 0.19 0.00 0.00 0.00 0.00 31.44 30.49 3hxz n GLU 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3hxz n ARG 152 N -2.09 2.82 -3.80 3.44 1.74 -0.24 -4.89 116.66 113.64 3hxz n ARG 152 Ca 0.02 -2.41 -0.37 0.00 -0.77 0.00 0.00 57.85 54.31 3hxz n ARG 152 Cb 0.17 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 3hxz n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxz s ILE 153 N -1.96 3.69 -0.15 0.55 1.01 -0.68 -1.49 121.20 122.17 3hxz s ILE 153 Ca 0.31 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 3hxz s ILE 153 Cb 0.22 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3hxz s ILE 153 CO 0.11 0.06 -0.07 -0.63 0.00 0.00 0.00 174.94 174.41 3hxz s ILE 154 N 1.44 3.59 -0.12 2.92 -1.09 -0.15 -4.99 121.20 122.81 3hxz s ILE 154 Ca 0.01 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 57.79 3hxz s ILE 154 Cb -0.18 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3hxz s ILE 154 CO 0.01 0.50 0.47 -0.13 -1.23 0.00 0.00 174.94 174.55 3hxz s ARG 155 N 0.46 4.33 -0.12 2.79 0.52 -1.26 -0.70 118.95 124.97 3hxz s ARG 155 Ca -0.05 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.61 3hxz s ARG 155 Cb -0.15 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3hxz s ARG 155 CO 0.03 0.17 -0.20 0.42 0.02 0.00 0.00 175.30 175.74 3hxz s ILE 156 N 0.59 1.86 0.00 1.52 -1.09 0.18 -4.83 121.20 119.43 3hxz s ILE 156 Ca 0.25 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 3hxz s ILE 156 Cb -0.15 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 3hxz s ILE 156 CO 0.10 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 3hxz n GLY 157 N 3.95 1.40 3.01 6.18 0.00 -1.26 -0.85 105.19 117.63 3hxz n GLY 157 Ca -0.20 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3hxz n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxz n ASP 158 N 0.00 4.10 0.00 1.61 8.00 -1.26 -4.51 116.55 124.49 3hxz n ASP 158 Ca 0.00 -2.85 0.13 0.00 0.71 0.00 0.00 54.79 52.77 3hxz n ASP 158 Cb 0.00 -1.66 0.75 0.00 -0.02 0.00 0.00 41.12 40.19 3hxz n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxz n ASN 159 N 7.01 0.00 -1.36 -2.24 6.94 -1.17 -3.02 115.26 121.43 3hxz n ASN 159 Ca 0.51 -1.01 0.09 0.00 -0.02 0.00 0.00 54.58 54.15 3hxz n ASN 159 Cb 0.41 0.00 0.32 0.00 -2.36 0.00 0.00 39.78 38.15 3hxz n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxz n LYS 160 N -0.94 3.39 -1.72 -3.83 5.02 -0.76 -4.96 118.16 114.36 3hxz n LYS 160 Ca 0.19 -2.74 -0.02 0.00 -2.02 0.00 0.00 58.31 53.73 3hxz n LYS 160 Cb 0.09 -1.75 -0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3hxz n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hxz n GLY 161 N 0.98 0.37 3.51 0.72 0.00 -1.17 -4.96 105.19 104.64 3hxz n GLY 161 Ca 0.23 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 3hxz n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz s ALA 162 N -2.07 -1.79 0.13 4.61 0.00 -1.26 -5.06 121.76 116.31 3hxz s ALA 162 Ca 0.00 1.11 -0.34 0.00 0.00 0.00 0.00 51.96 52.73 3hxz s ALA 162 Cb 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 23.12 23.14 3hxz s ALA 162 CO 0.00 -0.55 1.61 -2.30 0.00 0.00 0.00 175.76 174.52 3hxz n PRO 163 N 0.20 2.13 -0.79 0.00 -0.02 -1.26 -1.14 135.00 134.12 3hxz n PRO 163 Ca -0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3hxz n PRO 163 Cb 0.60 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hxz n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxz n TYR 164 N 3.82 0.00 -2.94 6.00 4.01 -1.26 -4.93 117.16 121.86 3hxz n TYR 164 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 3hxz n TYR 164 Cb 0.29 -1.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.28 3hxz n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxz s ALA 165 N -1.94 3.24 -0.03 -0.72 0.00 -0.29 -4.76 121.76 117.27 3hxz s ALA 165 Ca 0.00 -2.12 -0.23 0.00 0.00 0.00 0.00 51.96 49.61 3hxz s ALA 165 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 23.12 19.36 3hxz s ALA 165 CO 0.00 -2.70 0.51 0.45 0.00 0.00 0.00 175.76 174.01 3hxz s SER 166 N 3.65 -0.44 0.42 0.00 0.15 -1.26 -1.82 113.70 114.40 3hxz s SER 166 Ca 0.21 0.40 0.30 0.00 0.70 0.00 0.00 55.95 57.56 3hxz s SER 166 Cb -0.17 0.44 1.32 0.00 -1.71 0.00 0.00 66.02 65.90 3hxz s SER 166 CO 0.06 -0.55 1.89 0.44 1.20 0.00 0.00 173.24 176.28 3hxz h ASP 167 N 3.37 0.00 -0.28 5.45 3.32 -1.93 -2.90 116.42 123.44 3hxz h ASP 167 Ca -0.28 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 3hxz h ASP 167 Cb 1.16 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3hxz h ASP 167 CO 0.40 0.00 -0.05 0.59 -1.72 0.00 0.00 179.24 178.45 3hxz n ASN 168 N -2.66 2.95 -3.71 6.45 4.13 -1.26 -4.81 115.26 116.35 3hxz n ASN 168 Ca 0.01 -3.44 -0.27 0.00 1.68 0.00 0.00 54.58 52.56 3hxz n ASN 168 Cb 0.22 -0.58 -0.17 0.00 -1.54 0.00 0.00 39.78 37.71 3hxz n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxz s PHE 169 N -3.06 0.76 -0.17 3.10 5.36 -1.10 -1.16 117.98 121.71 3hxz s PHE 169 Ca 0.42 -0.62 -0.12 0.00 -0.96 0.00 0.00 56.93 55.65 3hxz s PHE 169 Cb 0.37 -0.91 -0.05 0.00 -0.34 0.00 0.00 43.02 42.10 3hxz s PHE 169 CO 0.03 -0.54 0.23 -0.46 -1.46 0.00 0.00 175.22 173.02 3hxz s TRP 170 N 1.95 3.45 -0.04 10.12 -0.00 -0.48 -4.40 118.94 129.54 3hxz s TRP 170 Ca 0.01 0.51 0.06 0.00 -0.00 0.00 0.00 56.10 56.68 3hxz s TRP 170 Cb -0.16 -2.26 -0.01 0.00 -0.00 0.00 0.00 33.47 31.03 3hxz s TRP 170 CO -0.08 0.28 -0.24 -0.65 -0.00 0.00 0.00 176.95 176.27 3hxz s GLN 171 N 0.34 2.18 0.18 5.86 -0.21 -1.26 -2.27 119.66 124.47 3hxz s GLN 171 Ca 0.14 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.59 3hxz s GLN 171 Cb -0.12 -1.96 0.06 0.00 1.00 0.00 0.00 33.01 31.99 3hxz s GLN 171 CO 0.02 0.43 1.57 1.98 -2.12 0.00 0.00 175.29 177.17 3hxz h MET 172 N 5.85 0.93 0.00 2.91 1.85 -1.81 -3.49 114.93 121.17 3hxz h MET 172 Ca -0.36 -0.39 0.00 0.00 -0.61 0.00 0.00 59.70 58.33 3hxz h MET 172 Cb 1.15 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.15 3hxz h MET 172 CO 0.47 1.05 0.00 0.41 -0.40 0.00 0.00 176.91 178.45 3hxz n GLY 173 N -0.14 1.68 0.28 1.39 0.00 -1.26 -4.82 105.19 102.33 3hxz n GLY 173 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.33 3hxz n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxz h ASP 174 N 0.00 0.03 -2.84 1.61 3.45 -1.95 -3.41 116.42 113.31 3hxz h ASP 174 Ca 0.00 -0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.95 3hxz h ASP 174 Cb 0.00 -0.01 -0.14 0.00 -0.56 0.00 0.00 39.33 38.62 3hxz h ASP 174 CO 0.00 0.02 -0.74 0.42 -1.57 0.00 0.00 179.24 177.37 3hxz s THR 175 N -5.09 2.00 0.00 0.35 -4.23 -1.26 -4.38 115.64 103.02 3hxz s THR 175 Ca -0.05 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 3hxz s THR 175 Cb 0.17 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.86 3hxz s THR 175 CO 0.68 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3hxz n GLY 176 N -0.47 1.65 3.69 3.99 0.00 -1.00 -4.66 105.19 108.38 3hxz n GLY 176 Ca -0.07 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 3hxz n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hxz n PRO 177 N -0.84 2.10 -3.90 1.61 -0.02 -1.26 -1.29 135.00 131.39 3hxz n PRO 177 Ca 0.00 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3hxz n PRO 177 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 3hxz n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxz n GLY 179 N -0.44 0.77 3.73 0.00 0.00 -0.96 -0.99 105.19 107.29 3hxz n GLY 179 Ca -0.03 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 3hxz n GLY 179 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hxz s PRO 180 N -2.00 2.55 0.08 1.61 0.02 -1.24 -1.38 135.00 134.64 3hxz s PRO 180 Ca 0.00 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 63.06 3hxz s PRO 180 Cb 0.00 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 3hxz s PRO 180 CO 0.00 -1.60 0.04 0.00 -0.33 0.00 0.00 177.00 175.11 3hxz s THR 182 N -3.94 1.44 0.06 0.00 -1.32 0.02 -3.47 115.64 108.43 3hxz s THR 182 Ca 0.11 -0.74 0.10 0.00 -1.21 0.00 0.00 61.69 59.94 3hxz s THR 182 Cb 0.07 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 3hxz s THR 182 CO -0.07 0.41 -0.26 -1.61 -2.21 0.00 0.00 174.62 170.88 3hxz s GLU 183 N -0.12 1.70 -0.19 7.08 2.02 -0.79 -0.67 118.70 127.74 3hxz s GLU 183 Ca -0.00 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.79 3hxz s GLU 183 Cb -0.10 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 3hxz s GLU 183 CO 0.01 0.49 0.00 0.42 0.02 0.00 0.00 175.26 176.21 3hxz s ILE 184 N -0.85 4.08 0.03 -1.63 1.01 0.18 -1.02 121.20 122.99 3hxz s ILE 184 Ca 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.55 3hxz s ILE 184 Cb -0.10 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3hxz s ILE 184 CO 0.03 0.45 -0.12 -0.36 0.00 0.00 0.00 174.94 174.93 3hxz s PHE 185 N 0.75 2.72 -0.14 3.97 0.40 0.11 -0.72 117.98 125.08 3hxz s PHE 185 Ca 0.00 -0.15 -0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3hxz s PHE 185 Cb -0.14 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 3hxz s PHE 185 CO 0.02 0.32 -0.14 -0.47 0.70 0.00 0.00 175.22 175.66 3hxz s TYR 186 N -0.99 2.80 -0.44 0.36 5.04 -0.11 -0.93 117.35 123.08 3hxz s TYR 186 Ca 0.17 -0.78 -0.27 0.00 -2.44 0.00 0.00 57.07 53.75 3hxz s TYR 186 Cb -0.11 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 40.36 3hxz s TYR 186 CO 0.07 -0.31 0.99 0.34 -1.34 0.00 0.00 175.55 175.30 3hxz s ASP 187 N 0.54 6.60 0.13 4.32 2.15 -0.14 -1.32 116.67 128.94 3hxz s ASP 187 Ca -0.09 0.36 0.25 0.00 0.43 0.00 0.00 52.55 53.50 3hxz s ASP 187 Cb -0.16 -2.48 0.94 0.00 -0.30 0.00 0.00 42.92 40.92 3hxz s ASP 187 CO 0.04 -1.05 1.77 1.41 -0.17 0.00 0.00 175.17 177.17 3hxz n HIS 188 N 7.23 0.53 0.00 -5.34 8.25 0.22 -4.96 115.22 121.15 3hxz n HIS 188 Ca 0.08 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3hxz n HIS 188 Cb 0.48 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.82 3hxz n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hxz n GLY 189 N 0.98 2.45 0.00 -1.41 0.00 -1.26 -4.80 105.19 101.14 3hxz n GLY 189 Ca 0.05 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.10 3hxz n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxz n ASP 190 N 0.00 0.00 0.10 1.61 5.68 -1.26 -2.09 116.55 120.60 3hxz n ASP 190 Ca 0.00 -0.05 0.12 0.00 -0.50 0.00 0.00 54.79 54.36 3hxz n ASP 190 Cb 0.00 -0.23 0.45 0.00 -1.14 0.00 0.00 41.12 40.20 3hxz n ASP 190 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hxz n HIS 191 N -1.23 0.78 -4.75 2.11 8.25 -1.26 -4.73 115.22 114.38 3hxz n HIS 191 Ca 0.09 0.26 -0.33 0.00 -0.26 0.00 0.00 57.72 57.48 3hxz n HIS 191 Cb 0.12 -0.93 -0.13 0.00 1.12 0.00 0.00 29.99 30.17 3hxz n HIS 191 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hxz s ILE 192 N -3.18 3.25 0.42 1.59 -1.09 -0.89 -5.11 121.20 116.19 3hxz s ILE 192 Ca 0.08 -0.62 -0.25 0.00 -2.23 0.00 0.00 60.65 57.63 3hxz s ILE 192 Cb 0.11 -2.34 -0.08 0.00 -1.58 0.00 0.00 42.46 38.58 3hxz s ILE 192 CO 0.49 0.56 1.20 0.86 -1.23 0.00 0.00 174.94 176.81 3hxz s TRP 193 N -0.20 2.96 0.00 3.97 -0.00 -1.26 -4.67 118.94 119.74 3hxz s TRP 193 Ca 0.01 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.63 3hxz s TRP 193 Cb -0.13 -3.45 0.00 0.00 -0.00 0.00 0.00 33.47 29.89 3hxz s TRP 193 CO 0.03 -1.53 0.00 0.41 -0.00 0.00 0.00 176.95 175.86 3hxz n GLY 194 N 0.60 4.25 3.67 5.86 0.00 -1.26 -2.88 105.19 115.43 3hxz n GLY 194 Ca 0.05 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 3hxz n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxz s GLY 195 N 0.00 2.58 0.88 -0.02 0.00 0.10 -4.82 107.32 106.04 3hxz s GLY 195 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 44.72 42.71 3hxz s GLY 195 CO 0.00 -2.09 1.09 2.56 0.00 0.00 0.00 173.10 174.67 3hxz s PRO 196 N -3.78 1.41 0.39 2.90 0.04 -1.26 -3.79 135.00 130.91 3hxz s PRO 196 Ca 0.30 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.07 3hxz s PRO 196 Cb 0.07 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 3hxz s PRO 196 CO 0.16 -2.18 1.27 -0.35 0.04 0.00 0.00 177.00 175.94 3hxz n PRO 197 N -3.86 2.00 0.00 0.56 -0.04 -1.26 -1.61 135.00 130.78 3hxz n PRO 197 Ca 0.08 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 3hxz n PRO 197 Cb 0.54 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3hxz n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hxz n GLY 198 N 0.80 3.13 3.90 0.55 0.00 -1.26 -4.98 105.19 107.32 3hxz n GLY 198 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3hxz n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxz s SER 199 N -0.26 5.79 0.45 1.61 1.04 -0.63 -4.97 113.70 116.72 3hxz s SER 199 Ca 0.00 1.01 0.14 0.00 0.48 0.00 0.00 55.95 57.58 3hxz s SER 199 Cb 0.00 -2.01 1.07 0.00 0.10 0.00 0.00 66.02 65.18 3hxz s SER 199 CO 0.00 -1.02 2.01 -0.65 0.98 0.00 0.00 173.24 174.56 3hxz h PRO 200 N -0.28 0.33 -0.69 4.02 0.11 -1.96 -2.24 132.00 131.30 3hxz h PRO 200 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3hxz h PRO 200 Cb 1.23 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3hxz h PRO 200 CO 0.62 0.22 0.10 0.39 -0.21 0.00 0.00 178.00 179.12 3hxz n GLU 201 N -4.47 4.07 0.28 1.05 1.02 -1.26 -4.58 120.64 116.74 3hxz n GLU 201 Ca 0.08 -2.78 0.11 0.00 -0.02 0.00 0.00 57.16 54.54 3hxz n GLU 201 Cb 0.32 -2.16 0.75 0.00 -0.02 0.00 0.00 31.44 30.33 3hxz n GLU 201 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3hxz h GLU 202 N 3.09 0.00 0.00 3.49 4.11 -1.50 0.31 114.58 124.09 3hxz h GLU 202 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3hxz h GLU 202 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3hxz h GLU 202 CO 0.54 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.15 3hxz n ASP 203 N -4.26 0.00 -4.66 3.06 2.03 -1.26 -4.75 116.55 106.72 3hxz n ASP 203 Ca -0.03 -0.01 -0.30 0.00 0.52 0.00 0.00 54.79 54.97 3hxz n ASP 203 Cb 0.09 -0.29 0.17 0.00 -0.72 0.00 0.00 41.12 40.37 3hxz n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hxz s GLY 204 N -2.58 1.61 0.00 0.27 0.00 -0.81 -4.94 107.32 100.87 3hxz s GLY 204 Ca 0.20 0.03 0.13 0.00 0.00 0.00 0.00 44.72 45.08 3hxz s GLY 204 CO 0.33 0.57 1.33 1.22 0.00 0.00 0.00 173.10 176.55 3hxz n ASP 205 N -4.19 1.59 0.05 1.64 8.00 -1.19 -4.32 116.55 118.13 3hxz n ASP 205 Ca 0.07 -1.91 -0.10 0.00 0.71 0.00 0.00 54.79 53.57 3hxz n ASP 205 Cb 0.54 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 3hxz n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxz h ARG 206 N 1.83 -0.21 -4.56 -1.24 2.43 -1.80 -3.40 114.38 107.44 3hxz h ARG 206 Ca 0.00 0.01 -0.72 0.00 -0.81 0.00 0.00 59.98 58.47 3hxz h ARG 206 Cb 0.41 0.05 -0.21 0.00 -0.42 0.00 0.00 29.97 29.80 3hxz h ARG 206 CO 0.00 0.19 0.09 0.71 -1.51 0.00 0.00 179.97 179.45 3hxz s TYR 207 N -3.12 3.08 -0.11 2.20 2.02 -1.26 -0.61 117.35 119.55 3hxz s TYR 207 Ca -0.11 -1.09 -0.18 0.00 -0.37 0.00 0.00 57.07 55.32 3hxz s TYR 207 Cb 0.00 -3.98 -0.04 0.00 -0.40 0.00 0.00 41.96 37.54 3hxz s TYR 207 CO 0.41 -1.24 0.47 0.42 -1.57 0.00 0.00 175.55 174.04 3hxz s ILE 208 N 2.37 5.18 -0.35 2.71 -1.09 -0.44 -4.83 121.20 124.75 3hxz s ILE 208 Ca 0.11 0.95 -0.28 0.00 -2.23 0.00 0.00 60.65 59.19 3hxz s ILE 208 Cb -0.24 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 3hxz s ILE 208 CO 0.04 0.34 1.68 -0.70 -1.23 0.00 0.00 174.94 175.07 3hxz s GLU 209 N 0.56 3.41 -0.25 2.79 2.12 -1.26 -0.93 118.70 125.14 3hxz s GLU 209 Ca 0.26 1.29 0.03 0.00 0.36 0.00 0.00 54.97 56.91 3hxz s GLU 209 Cb -0.15 -4.14 -0.18 0.00 0.26 0.00 0.00 34.13 29.92 3hxz s GLU 209 CO 0.10 -1.76 -0.20 0.44 -0.54 0.00 0.00 175.26 173.30 3hxz n ILE 210 N 7.32 1.49 -3.71 -3.70 -5.35 0.11 -4.84 119.36 110.67 3hxz n ILE 210 Ca 0.21 -0.59 -0.19 0.00 -0.27 0.00 0.00 62.75 61.90 3hxz n ILE 210 Cb 0.47 -1.35 -0.18 0.00 -1.74 0.00 0.00 39.64 36.84 3hxz n ILE 210 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3hxz s TRP 211 N -2.52 0.13 -0.18 4.28 -0.11 -1.10 -1.76 118.94 117.67 3hxz s TRP 211 Ca -0.33 0.18 -0.06 0.00 1.22 0.00 0.00 56.10 57.11 3hxz s TRP 211 Cb 0.09 -0.47 -0.04 0.00 -1.50 0.00 0.00 33.47 31.55 3hxz s TRP 211 CO 0.62 -0.18 0.03 1.21 -4.62 0.00 0.00 176.95 174.01 3hxz s ASN 212 N 1.92 5.31 -0.29 5.86 2.47 -0.15 -0.65 114.94 129.41 3hxz s ASN 212 Ca 0.02 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.28 3hxz s ASN 212 Cb -0.12 -1.91 0.06 0.00 -1.45 0.00 0.00 41.25 37.83 3hxz s ASN 212 CO -0.03 0.14 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.82 3hxz s ILE 213 N 0.56 2.69 -0.21 -5.21 1.01 0.16 -1.13 121.20 119.06 3hxz s ILE 213 Ca 0.01 -1.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 3hxz s ILE 213 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3hxz s ILE 213 CO 0.02 -0.10 0.17 -0.69 0.00 0.00 0.00 174.94 174.33 3hxz s VAL 214 N 1.19 5.38 -0.89 2.92 1.01 0.14 -0.80 120.40 129.35 3hxz s VAL 214 Ca -0.06 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3hxz s VAL 214 Cb -0.20 -3.50 0.18 0.00 0.00 0.00 0.00 36.38 32.85 3hxz s VAL 214 CO -0.03 0.39 0.95 -0.36 0.00 0.00 0.00 175.10 176.06 3hxz s PHE 215 N 0.65 3.47 0.08 5.22 0.08 0.20 -1.02 117.98 126.66 3hxz s PHE 215 Ca 0.09 -1.73 -0.30 0.00 0.12 0.00 0.00 56.93 55.10 3hxz s PHE 215 Cb -0.12 -4.04 -0.10 0.00 -0.57 0.00 0.00 43.02 38.19 3hxz s PHE 215 CO 0.01 -1.23 1.92 -1.64 -0.10 0.00 0.00 175.22 174.18 3hxz s MET 216 N 1.33 4.14 0.00 0.44 -1.94 0.13 -3.66 119.30 119.74 3hxz s MET 216 Ca 0.26 2.62 0.00 0.00 -1.71 0.00 0.00 55.69 56.86 3hxz s MET 216 Cb -0.07 -3.91 0.00 0.00 2.01 0.00 0.00 34.83 32.85 3hxz s MET 216 CO -0.09 -0.91 0.00 1.04 -0.01 0.00 0.00 175.02 175.05 3hxz n GLN 217 N 6.72 1.73 -4.26 2.03 1.13 -0.16 -1.84 117.38 122.72 3hxz n GLN 217 Ca 0.19 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.10 3hxz n GLN 217 Cb 0.40 -0.70 -0.10 0.00 0.11 0.00 0.00 30.24 29.94 3hxz n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hxz s PHE 218 N -1.37 1.31 -0.27 1.08 0.08 -0.49 -0.58 117.98 117.73 3hxz s PHE 218 Ca 0.00 -0.81 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 3hxz s PHE 218 Cb 0.00 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.77 3hxz s PHE 218 CO 0.00 0.03 0.01 1.21 -0.10 0.00 0.00 175.22 176.38 3hxz s ASN 219 N -3.19 4.76 0.22 1.36 2.47 0.59 -0.80 114.94 120.34 3hxz s ASN 219 Ca 0.19 -0.81 -0.30 0.00 0.42 0.00 0.00 52.86 52.36 3hxz s ASN 219 Cb 0.03 -1.78 -0.08 0.00 -1.45 0.00 0.00 41.25 37.97 3hxz s ASN 219 CO 0.02 -0.17 1.03 -0.60 -3.72 0.00 0.00 177.10 173.67 3hxz s ARG 220 N 1.41 4.71 0.39 0.43 3.52 -0.41 -1.54 118.95 127.45 3hxz s ARG 220 Ca 0.01 1.64 0.03 0.00 -0.13 0.00 0.00 55.73 57.28 3hxz s ARG 220 Cb -0.17 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 3hxz s ARG 220 CO -0.01 0.28 0.58 -0.65 -0.81 0.00 0.00 175.30 174.69 3hxz s GLN 221 N -0.93 3.14 0.41 5.12 -1.52 -0.28 -2.38 119.66 123.22 3hxz s GLN 221 Ca 0.45 -0.66 0.08 0.00 -1.95 0.00 0.00 55.36 53.28 3hxz s GLN 221 Cb -0.28 -2.67 0.86 0.00 -0.22 0.00 0.00 33.01 30.69 3hxz s GLN 221 CO 0.35 -0.08 2.02 0.00 -0.25 0.00 0.00 175.29 177.33 3hxz h ALA 222 N 0.64 1.66 0.00 6.09 0.00 -1.90 -0.92 119.26 124.83 3hxz h ALA 222 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hxz h ALA 222 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hxz h ALA 222 CO 0.56 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 3hxz n ASP 223 N -4.42 0.15 0.00 0.00 3.85 -1.26 -4.90 116.55 109.96 3hxz n ASP 223 Ca 0.01 0.52 0.00 0.00 -0.71 0.00 0.00 54.79 54.61 3hxz n ASP 223 Cb 0.13 -0.56 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 3hxz n ASP 223 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxz n GLY 224 N 0.94 0.39 3.78 6.12 0.00 -0.35 -5.08 105.19 110.99 3hxz n GLY 224 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3hxz n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxz s THR 225 N -2.00 3.39 -0.35 2.61 -4.23 -1.26 -4.69 115.64 109.11 3hxz s THR 225 Ca 0.00 0.84 -0.10 0.00 -1.18 0.00 0.00 61.69 61.26 3hxz s THR 225 Cb 0.00 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.53 3hxz s THR 225 CO 0.00 -0.21 0.17 -0.04 -0.54 0.00 0.00 174.62 174.00 3hxz s MET 226 N -3.35 2.90 -0.22 3.99 -1.94 -1.26 -1.13 119.30 118.29 3hxz s MET 226 Ca 0.70 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.57 3hxz s MET 226 Cb -0.21 -3.62 -0.05 0.00 2.01 0.00 0.00 34.83 32.96 3hxz s MET 226 CO 0.26 -0.62 0.13 -1.21 -0.01 0.00 0.00 175.02 173.57 3hxz s GLU 227 N 1.53 4.06 0.44 2.03 2.02 -0.59 -4.90 118.70 123.28 3hxz s GLU 227 Ca 0.02 -0.28 -0.25 0.00 0.02 0.00 0.00 54.97 54.47 3hxz s GLU 227 Cb -0.19 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.52 3hxz s GLU 227 CO 0.05 0.15 1.37 -2.30 0.02 0.00 0.00 175.26 174.55 3hxz n PRO 228 N 3.98 2.13 -2.66 0.39 -0.02 -1.26 0.22 135.00 137.77 3hxz n PRO 228 Ca -0.16 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 3hxz n PRO 228 Cb 0.52 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3hxz n PRO 228 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hxz s LEU 229 N -2.23 3.83 0.32 2.45 1.43 0.26 -4.65 118.68 120.09 3hxz s LEU 229 Ca 0.61 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 3hxz s LEU 229 Cb -0.48 -4.53 0.63 0.00 0.03 0.00 0.00 46.19 41.84 3hxz s LEU 229 CO 0.58 -0.46 1.90 -0.65 0.23 0.00 0.00 176.35 177.95 3hxz h PRO 230 N 1.56 0.88 -3.61 1.29 0.11 -1.83 -3.40 132.00 126.99 3hxz h PRO 230 Ca -0.48 -0.05 -0.41 0.00 0.11 0.00 0.00 66.00 65.16 3hxz h PRO 230 Cb 1.18 -0.20 -0.38 0.00 0.11 0.00 0.00 31.00 31.72 3hxz h PRO 230 CO 0.61 0.59 -0.76 0.15 -0.21 0.00 0.00 178.00 178.38 3hxz s LYS 231 N -5.83 0.42 0.17 1.05 1.02 -1.26 -5.12 119.74 110.19 3hxz s LYS 231 Ca -0.11 0.17 -0.34 0.00 0.02 0.00 0.00 55.97 55.71 3hxz s LYS 231 Cb 0.21 -0.82 -0.15 0.00 -0.52 0.00 0.00 37.83 36.55 3hxz s LYS 231 CO 0.79 -0.29 1.42 -2.30 -0.92 0.00 0.00 175.35 174.05 3hxz n PRO 232 N 5.08 1.75 -4.27 -1.68 -0.02 -1.26 -4.66 135.00 129.94 3hxz n PRO 232 Ca -0.08 0.63 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 3hxz n PRO 232 Cb 0.50 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 3hxz n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxz s SER 233 N 0.50 1.14 -0.08 2.55 0.01 -0.77 -4.09 113.70 112.97 3hxz s SER 233 Ca 0.76 -1.59 0.04 0.00 1.31 0.00 0.00 55.95 56.47 3hxz s SER 233 Cb -0.76 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 3hxz s SER 233 CO 0.45 -0.95 -0.21 -0.69 0.41 0.00 0.00 173.24 172.25 3hxz s VAL 234 N -3.72 1.82 -0.19 3.43 1.01 -0.49 -0.69 120.40 121.56 3hxz s VAL 234 Ca 0.39 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3hxz s VAL 234 Cb 0.04 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.90 3hxz s VAL 234 CO 0.20 0.51 -0.04 -0.62 0.00 0.00 0.00 175.10 175.15 3hxz s ASP 235 N 0.25 3.16 0.27 3.32 2.15 -0.19 -1.38 116.67 124.25 3hxz s ASP 235 Ca -0.13 -0.85 0.11 0.00 0.43 0.00 0.00 52.55 52.11 3hxz s ASP 235 Cb -0.16 -0.95 -0.05 0.00 -0.30 0.00 0.00 42.92 41.46 3hxz s ASP 235 CO 0.06 -0.22 -0.18 0.42 -0.17 0.00 0.00 175.17 175.09 3hxz s THR 236 N 1.59 2.31 -0.28 1.71 -4.23 -0.77 0.26 115.64 116.24 3hxz s THR 236 Ca -0.02 -2.35 -0.11 0.00 -1.18 0.00 0.00 61.69 58.03 3hxz s THR 236 Cb -0.17 -2.29 0.11 0.00 1.34 0.00 0.00 72.50 71.49 3hxz s THR 236 CO -0.07 -0.41 0.63 0.00 -0.54 0.00 0.00 174.62 174.22 3hxz s ALA 237 N -2.61 -1.86 -0.14 3.99 0.00 -0.29 -3.62 121.76 117.24 3hxz s ALA 237 Ca 0.29 2.24 -0.03 0.00 0.00 0.00 0.00 51.96 54.47 3hxz s ALA 237 Cb -0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3hxz s ALA 237 CO 0.14 -0.72 -0.06 1.41 0.00 0.00 0.00 175.76 176.53 3hxz s MET 238 N 2.43 3.55 -0.12 0.00 -2.45 0.66 -0.97 119.30 122.40 3hxz s MET 238 Ca -0.07 -0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 53.53 3hxz s MET 238 Cb -0.10 -2.84 -0.05 0.00 1.25 0.00 0.00 34.83 33.10 3hxz s MET 238 CO -0.18 0.28 1.70 0.20 1.05 0.00 0.00 175.02 178.06 3hxz s GLY 239 N 0.25 1.35 0.13 2.11 0.00 -0.72 -0.34 107.32 110.10 3hxz s GLY 239 Ca -0.04 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.27 3hxz s GLY 239 CO 0.03 3.10 1.76 -2.00 0.00 0.00 0.00 173.10 176.00 3hxz h LEU 240 N 11.09 0.16 -1.02 0.66 5.85 -1.65 -1.24 115.31 129.16 3hxz h LEU 240 Ca -0.38 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3hxz h LEU 240 Cb 1.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3hxz h LEU 240 CO 0.97 0.12 0.39 -0.33 -0.34 0.00 0.00 178.44 179.25 3hxz h GLU 241 N 0.23 1.08 -0.23 1.25 3.07 -1.91 -0.25 114.58 117.82 3hxz h GLU 241 Ca 0.09 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 3hxz h GLU 241 Cb 0.03 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3hxz h GLU 241 CO -0.07 0.81 -0.27 0.00 -1.40 0.00 0.00 179.01 178.08 3hxz h ARG 242 N 1.07 0.59 -0.07 2.33 3.08 -1.84 -1.88 114.38 117.66 3hxz h ARG 242 Ca 0.27 -0.33 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3hxz h ARG 242 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hxz h ARG 242 CO -0.04 0.93 -0.54 0.97 -1.07 0.00 0.00 179.97 180.22 3hxz h ILE 243 N 0.28 1.36 -0.93 2.04 6.09 -1.13 -2.67 117.51 122.55 3hxz h ILE 243 Ca 0.03 -1.83 0.01 0.00 -1.37 0.00 0.00 64.86 61.70 3hxz h ILE 243 Cb 0.84 1.90 -0.05 0.00 0.47 0.00 0.00 36.82 39.99 3hxz h ILE 243 CO 0.07 0.54 0.60 0.00 -3.07 0.00 0.00 178.15 176.29 3hxz h ALA 244 N 1.28 1.19 -0.41 0.18 0.00 -0.96 0.39 119.26 120.93 3hxz h ALA 244 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hxz h ALA 244 Cb 1.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hxz h ALA 244 CO 0.08 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.17 3hxz h ALA 245 N 1.33 0.52 0.01 0.00 0.00 -1.08 0.47 119.26 120.52 3hxz h ALA 245 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hxz h ALA 245 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hxz h ALA 245 CO -0.07 0.02 -0.03 0.28 0.00 0.00 0.00 179.25 179.45 3hxz h VAL 246 N 0.54 0.92 0.00 0.00 2.07 -1.11 -1.20 116.25 117.46 3hxz h VAL 246 Ca 0.15 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 3hxz h VAL 246 Cb 0.01 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hxz h VAL 246 CO -0.03 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.07 3hxz h LEU 247 N -0.06 0.00 -1.60 2.57 3.38 -0.74 -2.58 115.31 116.29 3hxz h LEU 247 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hxz h LEU 247 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hxz h LEU 247 CO -0.03 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3hxz n GLN 248 N -3.81 2.03 -2.87 1.13 6.02 0.14 -4.69 117.38 115.34 3hxz n GLN 248 Ca -0.01 -1.57 -0.16 0.00 -0.01 0.00 0.00 57.00 55.24 3hxz n GLN 248 Cb 0.49 -1.42 0.03 0.00 1.02 0.00 0.00 30.24 30.36 3hxz n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxz n HIS 249 N 0.79 -1.50 -4.65 1.08 8.25 -0.90 -5.02 115.22 113.27 3hxz n HIS 249 Ca 0.17 0.42 -0.29 0.00 -0.26 0.00 0.00 57.72 57.76 3hxz n HIS 249 Cb 0.42 -3.57 -0.10 0.00 1.12 0.00 0.00 29.99 27.86 3hxz n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxz s VAL 250 N -3.03 1.59 -0.17 1.59 -7.23 -0.51 -5.06 120.40 107.59 3hxz s VAL 250 Ca 0.25 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 3hxz s VAL 250 Cb -0.11 -2.67 -0.16 0.00 0.56 0.00 0.00 36.38 34.00 3hxz s VAL 250 CO 0.30 0.00 -0.05 0.59 -0.31 0.00 0.00 175.10 175.64 3hxz n ASN 251 N -1.06 1.81 -4.89 4.85 5.03 -1.26 -4.23 115.26 115.52 3hxz n ASN 251 Ca -0.10 -0.05 -0.36 0.00 0.87 0.00 0.00 54.58 54.95 3hxz n ASN 251 Cb 0.67 0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 39.73 3hxz n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hxz s SER 252 N -5.30 6.40 0.42 6.41 0.15 -1.26 -4.97 113.70 115.54 3hxz s SER 252 Ca -0.16 0.44 0.17 0.00 0.70 0.00 0.00 55.95 57.11 3hxz s SER 252 Cb 0.05 -2.05 1.07 0.00 -1.71 0.00 0.00 66.02 63.39 3hxz s SER 252 CO 0.54 0.35 1.87 0.78 1.20 0.00 0.00 173.24 177.98 3hxz h ASN 253 N 4.55 0.41 0.26 5.45 4.21 -1.41 -0.86 115.58 128.18 3hxz h ASN 253 Ca -0.53 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.02 3hxz h ASN 253 Cb 1.21 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3hxz h ASN 253 CO 0.62 0.17 0.00 -1.22 -1.29 0.00 0.00 177.43 175.71 3hxz n TYR 254 N -4.50 0.00 0.70 1.19 4.01 -1.26 -2.40 117.16 114.89 3hxz n TYR 254 Ca 0.18 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.04 3hxz n TYR 254 Cb 0.66 -0.17 0.15 0.00 -0.31 0.00 0.00 39.34 39.67 3hxz n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxz n ASP 255 N -1.17 3.20 -4.82 7.72 8.00 -0.33 -3.80 116.55 125.35 3hxz n ASP 255 Ca 0.14 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.34 3hxz n ASP 255 Cb 0.14 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3hxz n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxz s ILE 256 N -1.77 3.85 0.25 0.53 -4.36 -1.01 -4.76 121.20 113.93 3hxz s ILE 256 Ca 0.32 0.60 -0.05 0.00 -0.26 0.00 0.00 60.65 61.27 3hxz s ILE 256 Cb 0.21 -3.35 0.24 0.00 1.25 0.00 0.00 42.46 40.81 3hxz s ILE 256 CO 0.31 -0.79 1.68 -2.24 0.24 0.00 0.00 174.94 174.14 3hxz h ASP 257 N -0.78 -0.01 0.08 4.36 2.03 -1.93 -0.27 116.42 119.90 3hxz h ASP 257 Ca -0.44 0.15 0.02 0.00 -0.73 0.00 0.00 57.03 56.03 3hxz h ASP 257 Cb 1.22 0.21 -0.04 0.00 -0.83 0.00 0.00 39.33 39.89 3hxz h ASP 257 CO 0.57 -0.05 -0.28 0.25 -1.03 0.00 0.00 179.24 178.70 3hxz h LEU 258 N 0.26 -0.81 -0.51 0.15 6.46 -1.92 -2.53 115.31 116.41 3hxz h LEU 258 Ca 0.42 0.10 -0.15 0.00 -0.12 0.00 0.00 57.88 58.13 3hxz h LEU 258 Cb 0.73 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 3hxz h LEU 258 CO -0.52 -0.36 -0.71 -0.26 -0.62 0.00 0.00 178.44 175.96 3hxz h PHE 259 N -0.48 0.00 -0.35 1.25 -1.00 -1.67 -2.32 116.94 112.37 3hxz h PHE 259 Ca 0.04 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 3hxz h PHE 259 Cb 0.52 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 3hxz h PHE 259 CO -0.27 0.71 0.19 0.00 -1.61 0.00 0.00 178.31 177.33 3hxz h ARG 260 N 0.00 0.49 -0.61 1.51 3.08 -0.95 0.18 114.38 118.08 3hxz h ARG 260 Ca -0.01 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3hxz h ARG 260 Cb 1.30 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3hxz h ARG 260 CO 0.09 0.41 -0.01 1.15 -1.07 0.00 0.00 179.97 180.55 3hxz h THR 261 N 0.45 1.27 -0.30 2.04 2.02 -1.44 -2.37 112.91 114.57 3hxz h THR 261 Ca 0.12 -1.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.06 3hxz h THR 261 Cb 0.06 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3hxz h THR 261 CO -0.02 0.42 -0.13 0.25 0.37 0.00 0.00 175.52 176.41 3hxz h LEU 262 N 0.98 0.64 -1.06 2.58 5.85 -1.15 -2.58 115.31 120.56 3hxz h LEU 262 Ca 0.17 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 3hxz h LEU 262 Cb 0.57 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3hxz h LEU 262 CO 0.03 0.90 0.21 0.40 -0.34 0.00 0.00 178.44 179.64 3hxz h ILE 263 N 0.37 1.22 -0.77 4.05 2.04 -0.65 -1.30 117.51 122.47 3hxz h ILE 263 Ca 0.07 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3hxz h ILE 263 Cb 0.65 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3hxz h ILE 263 CO 0.04 0.28 0.48 1.56 0.00 0.00 0.00 178.15 180.52 3hxz h GLN 264 N 0.86 0.89 -0.66 2.37 4.20 -1.31 -0.69 115.11 120.78 3hxz h GLN 264 Ca 0.20 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3hxz h GLN 264 Cb 0.21 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3hxz h GLN 264 CO -0.01 0.59 0.17 0.00 -0.67 0.00 0.00 178.83 178.90 3hxz h ALA 265 N 1.35 0.86 -0.47 3.87 0.00 -0.98 -1.42 119.26 122.48 3hxz h ALA 265 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hxz h ALA 265 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hxz h ALA 265 CO -0.14 0.57 0.25 0.28 0.00 0.00 0.00 179.25 180.22 3hxz h VAL 266 N 0.97 1.17 -0.92 0.00 2.07 -0.79 -1.76 116.25 117.00 3hxz h VAL 266 Ca 0.21 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hxz h VAL 266 Cb 0.35 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3hxz h VAL 266 CO 0.00 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.38 3hxz h ALA 267 N 1.09 1.17 -0.33 1.67 0.00 -0.95 -1.71 119.26 120.20 3hxz h ALA 267 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hxz h ALA 267 Cb 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hxz h ALA 267 CO -0.03 0.55 0.18 -0.22 0.00 0.00 0.00 179.25 179.74 3hxz h LYS 268 N 1.24 0.47 0.00 0.00 3.64 -0.88 0.01 116.57 121.04 3hxz h LYS 268 Ca 0.34 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 3hxz h LYS 268 Cb -0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3hxz h LYS 268 CO -0.08 0.40 -0.51 -0.39 -2.27 0.00 0.00 179.45 176.61 3hxz h VAL 269 N 0.41 0.88 0.00 2.00 -1.51 -1.13 -3.26 116.25 113.64 3hxz h VAL 269 Ca 0.12 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.38 3hxz h VAL 269 Cb 0.07 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 3hxz h VAL 269 CO -0.02 0.50 -1.27 0.35 -1.23 0.00 0.00 177.57 175.90 3hxz n THR 270 N -3.25 0.44 -0.86 7.19 -2.24 -0.66 -4.85 114.28 110.05 3hxz n THR 270 Ca 0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3hxz n THR 270 Cb 0.73 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3hxz n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxz n GLY 271 N 1.21 0.50 3.83 3.38 0.00 -0.08 -3.37 105.19 110.65 3hxz n GLY 271 Ca -0.01 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3hxz n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz s ALA 272 N -2.00 2.99 -0.01 4.61 0.00 -0.78 -4.99 121.76 121.58 3hxz s ALA 272 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3hxz s ALA 272 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3hxz s ALA 272 CO 0.00 -0.23 0.01 0.25 0.00 0.00 0.00 175.76 175.79 3hxz n THR 273 N -1.34 0.08 -2.64 0.00 -2.24 -1.26 -4.62 114.28 102.26 3hxz n THR 273 Ca 0.07 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 3hxz n THR 273 Cb 0.54 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 3hxz n THR 273 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hxz s ASP 274 N -2.92 6.29 0.00 3.42 2.15 -1.26 -4.87 116.67 119.48 3hxz s ASP 274 Ca -0.01 -0.94 0.05 0.00 0.43 0.00 0.00 52.55 52.08 3hxz s ASP 274 Cb 0.01 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.41 3hxz s ASP 274 CO 0.07 -1.62 0.77 0.18 -0.17 0.00 0.00 175.17 174.40 3hxz n LEU 275 N 8.72 0.00 -0.10 -1.34 4.77 -1.26 -2.32 117.00 125.46 3hxz n LEU 275 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 3hxz n LEU 275 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3hxz n LEU 275 CO 0.67 0.00 0.06 -1.54 -1.33 0.00 0.00 177.39 175.25 3hxz n SER 276 N -0.66 0.84 -4.72 -1.43 3.41 -1.26 -4.99 113.62 104.80 3hxz n SER 276 Ca 0.04 -0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 3hxz n SER 276 Cb 0.02 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 3hxz n SER 276 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hxz s ASN 277 N -1.93 6.58 0.56 4.04 3.84 -0.98 -4.89 114.94 122.16 3hxz s ASN 277 Ca 0.06 2.65 0.30 0.00 0.21 0.00 0.00 52.86 56.09 3hxz s ASN 277 Cb 0.09 -2.60 1.69 0.00 -0.55 0.00 0.00 41.25 39.88 3hxz s ASN 277 CO 0.42 -0.81 2.17 0.07 -2.79 0.00 0.00 177.10 176.16 3hxz h LYS 278 N 6.37 0.00 0.00 0.43 2.10 -1.92 -2.04 116.57 121.51 3hxz h LYS 278 Ca -0.43 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.18 3hxz h LYS 278 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3hxz h LYS 278 CO 0.88 0.06 -0.18 0.77 -2.00 0.00 0.00 179.45 178.98 3hxz h SER 279 N 0.00 0.00 -0.56 7.07 0.02 -1.93 -1.12 113.55 117.02 3hxz h SER 279 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3hxz h SER 279 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3hxz h SER 279 CO 0.01 0.18 0.05 -0.07 -1.14 0.00 0.00 176.83 175.86 3hxz h LEU 280 N 0.00 0.96 -0.33 5.07 3.38 -1.74 -1.57 115.31 121.07 3hxz h LEU 280 Ca -0.00 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.54 3hxz h LEU 280 Cb 0.34 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hxz h LEU 280 CO 0.02 0.99 -0.61 0.03 0.09 0.00 0.00 178.44 178.96 3hxz h ARG 281 N 0.92 0.74 -0.18 1.13 3.08 -1.45 -1.84 114.38 116.79 3hxz h ARG 281 Ca 0.18 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3hxz h ARG 281 Cb 0.47 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3hxz h ARG 281 CO 0.02 1.13 0.10 0.28 -1.07 0.00 0.00 179.97 180.43 3hxz h VAL 282 N 0.55 1.08 -0.55 2.04 2.07 -1.12 -1.89 116.25 118.43 3hxz h VAL 282 Ca -0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3hxz h VAL 282 Cb 1.21 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3hxz h VAL 282 CO 0.13 0.08 0.09 0.40 0.02 0.00 0.00 177.57 178.29 3hxz h ILE 283 N 0.20 1.25 -0.83 4.57 2.04 -1.30 -0.13 117.51 123.32 3hxz h ILE 283 Ca 0.06 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.01 3hxz h ILE 283 Cb 0.04 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3hxz h ILE 283 CO -0.01 0.35 0.52 0.00 0.00 0.00 0.00 178.15 179.01 3hxz h ALA 284 N 1.00 1.11 -0.39 1.87 0.00 -1.26 -0.76 119.26 120.82 3hxz h ALA 284 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hxz h ALA 284 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hxz h ALA 284 CO 0.01 0.31 0.01 0.22 0.00 0.00 0.00 179.25 179.81 3hxz h ASP 285 N 0.99 0.67 0.02 0.00 3.58 -1.05 -3.27 116.42 117.36 3hxz h ASP 285 Ca 0.34 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 3hxz h ASP 285 Cb 0.07 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3hxz h ASP 285 CO -0.14 0.80 -0.37 0.45 -2.88 0.00 0.00 179.24 177.11 3hxz h HIS 286 N 0.51 0.55 -0.47 0.28 3.86 -0.41 -2.49 115.15 116.99 3hxz h HIS 286 Ca 0.11 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 3hxz h HIS 286 Cb 0.45 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3hxz h HIS 286 CO 0.04 0.77 0.09 0.97 0.86 0.00 0.00 177.93 180.66 3hxz h ILE 287 N 0.40 1.21 0.43 2.45 6.09 -1.23 -0.27 117.51 126.59 3hxz h ILE 287 Ca 0.04 -0.78 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 3hxz h ILE 287 Cb 0.82 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.87 3hxz h ILE 287 CO 0.07 0.28 -0.21 0.03 -3.07 0.00 0.00 178.15 175.25 3hxz h ARG 288 N 0.69 -0.56 -0.31 2.19 3.08 -1.50 0.23 114.38 118.20 3hxz h ARG 288 Ca 0.15 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3hxz h ARG 288 Cb 0.29 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hxz h ARG 288 CO 0.00 -0.33 0.12 0.66 -1.07 0.00 0.00 179.97 179.35 3hxz h SER 289 N -0.67 0.43 0.01 7.04 4.64 -1.42 -2.50 113.55 121.07 3hxz h SER 289 Ca -0.06 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3hxz h SER 289 Cb 0.49 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hxz h SER 289 CO 0.10 0.47 -0.01 0.00 -0.87 0.00 0.00 176.83 176.53 3hxz h ALA 291 N 0.79 0.59 -0.28 0.00 0.00 -0.99 -2.15 119.26 117.22 3hxz h ALA 291 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3hxz h ALA 291 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hxz h ALA 291 CO 0.00 0.23 -0.36 0.74 0.00 0.00 0.00 179.25 179.86 3hxz h PHE 292 N 0.59 0.73 -0.57 0.00 0.04 -1.46 -1.47 116.94 114.81 3hxz h PHE 292 Ca 0.15 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3hxz h PHE 292 Cb 0.25 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3hxz h PHE 292 CO 0.01 0.90 0.24 -0.07 -0.60 0.00 0.00 178.31 178.78 3hxz h LEU 293 N 0.52 0.78 -0.54 1.54 3.38 -1.02 -1.11 115.31 118.87 3hxz h LEU 293 Ca 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hxz h LEU 293 Cb 0.87 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3hxz h LEU 293 CO 0.07 0.73 0.15 0.40 0.09 0.00 0.00 178.44 179.89 3hxz h ILE 294 N 0.78 1.24 -0.32 1.22 2.04 -1.32 -1.06 117.51 120.10 3hxz h ILE 294 Ca 0.19 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3hxz h ILE 294 Cb 0.19 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3hxz h ILE 294 CO -0.02 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.63 3hxz h ALA 295 N 1.02 1.74 -0.31 1.87 0.00 -1.05 -1.50 119.26 121.03 3hxz h ALA 295 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hxz h ALA 295 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hxz h ALA 295 CO -0.00 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 3hxz n ASP 296 N -4.47 1.84 0.00 0.00 8.00 -0.44 -4.92 116.55 116.57 3hxz n ASP 296 Ca 0.02 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.59 3hxz n ASP 296 Cb 0.08 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3hxz n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxz n GLY 297 N 1.08 0.78 3.72 0.44 0.00 -0.56 -4.68 105.19 105.98 3hxz n GLY 297 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hxz n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxz s VAL 298 N -2.00 4.47 -0.05 1.61 1.01 -0.45 -4.98 120.40 120.01 3hxz s VAL 298 Ca 0.00 1.91 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3hxz s VAL 298 Cb 0.00 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3hxz s VAL 298 CO 0.00 0.22 -0.16 -0.04 0.00 0.00 0.00 175.10 175.12 3hxz s MET 299 N 0.47 2.52 0.38 2.72 -1.94 -1.26 -4.13 119.30 118.07 3hxz s MET 299 Ca 0.51 -0.73 -0.27 0.00 -1.71 0.00 0.00 55.69 53.49 3hxz s MET 299 Cb -0.24 -2.35 -0.11 0.00 2.01 0.00 0.00 34.83 34.14 3hxz s MET 299 CO 0.30 0.57 1.32 -2.30 -0.01 0.00 0.00 175.02 174.90 3hxz n PRO 300 N 2.44 2.15 -2.48 2.03 -0.02 -1.26 -4.12 135.00 133.75 3hxz n PRO 300 Ca -0.17 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3hxz n PRO 300 Cb 0.52 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3hxz n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hxz n SER 301 N 0.48 -1.02 -1.31 2.55 3.41 -0.92 -4.95 113.62 111.86 3hxz n SER 301 Ca 0.05 -1.65 0.08 0.00 -0.26 0.00 0.00 58.87 57.09 3hxz n SER 301 Cb 0.38 1.69 0.32 0.00 -0.26 0.00 0.00 64.21 66.33 3hxz n SER 301 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hxz n ASN 302 N -1.13 4.57 -3.90 4.04 3.02 -1.26 -2.95 115.26 117.66 3hxz n ASN 302 Ca -0.03 -2.84 -0.11 0.00 -0.03 0.00 0.00 54.58 51.57 3hxz n ASN 302 Cb 0.29 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 3hxz n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxz s GLU 303 N -2.54 0.35 3.88 3.52 4.04 -1.26 -4.83 118.70 121.86 3hxz s GLU 303 Ca 0.46 -0.35 0.00 0.00 0.04 0.00 0.00 54.97 55.12 3hxz s GLU 303 Cb 0.35 0.14 0.00 0.00 0.02 0.00 0.00 34.13 34.64 3hxz s GLU 303 CO 0.14 -0.07 0.00 0.09 -1.84 0.00 0.00 175.26 173.58 3hxz n ASN 304 N 1.83 0.00 -0.21 0.83 3.02 -1.26 -2.24 115.26 117.23 3hxz n ASN 304 Ca -0.21 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 3hxz n ASN 304 Cb 0.56 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.76 3hxz n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxz h ARG 305 N 0.00 0.83 -0.45 3.52 3.08 -1.95 -2.56 114.38 116.85 3hxz h ARG 305 Ca 0.00 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hxz h ARG 305 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3hxz h ARG 305 CO 0.00 0.64 0.30 0.78 -1.07 0.00 0.00 179.97 180.62 3hxz h GLY 306 N 0.81 0.49 1.52 0.04 0.00 -1.60 -2.29 103.07 102.05 3hxz h GLY 306 Ca 0.21 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 3hxz h GLY 306 CO -0.03 0.13 -0.97 -1.82 0.00 0.00 0.00 176.54 173.85 3hxz h TYR 307 N 0.41 0.64 -0.54 5.60 3.20 -1.04 -0.84 116.97 124.40 3hxz h TYR 307 Ca 0.19 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3hxz h TYR 307 Cb 0.24 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3hxz h TYR 307 CO -0.00 1.18 0.30 0.28 -1.64 0.00 0.00 178.16 178.29 3hxz h VAL 308 N 0.23 1.18 -0.08 1.81 2.07 -1.24 0.59 116.25 120.82 3hxz h VAL 308 Ca -0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3hxz h VAL 308 Cb 1.61 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3hxz h VAL 308 CO 0.17 0.19 0.04 0.25 0.02 0.00 0.00 177.57 178.23 3hxz h LEU 309 N 0.72 0.06 -0.62 2.57 5.85 -1.37 -1.70 115.31 120.82 3hxz h LEU 309 Ca 0.19 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3hxz h LEU 309 Cb 0.03 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3hxz h LEU 309 CO -0.03 0.05 0.34 -0.09 -0.34 0.00 0.00 178.44 178.36 3hxz h ARG 310 N 0.08 0.62 -0.36 1.25 2.43 -0.92 -0.59 114.38 116.89 3hxz h ARG 310 Ca 0.03 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3hxz h ARG 310 Cb 0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3hxz h ARG 310 CO -0.02 0.41 0.17 0.00 -1.51 0.00 0.00 179.97 179.02 3hxz h ARG 311 N 0.64 0.35 -0.39 0.20 3.08 -0.64 -0.16 114.38 117.46 3hxz h ARG 311 Ca 0.27 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 3hxz h ARG 311 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3hxz h ARG 311 CO -0.17 0.23 -0.04 0.82 -1.07 0.00 0.00 179.97 179.75 3hxz h ILE 312 N 0.36 1.27 -0.14 2.04 2.04 -0.91 -1.46 117.51 120.70 3hxz h ILE 312 Ca 0.15 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.96 3hxz h ILE 312 Cb 0.07 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3hxz h ILE 312 CO -0.11 0.36 -0.01 0.40 0.00 0.00 0.00 178.15 178.79 3hxz h ILE 313 N 0.53 0.90 -0.46 -0.67 2.04 -0.90 -1.07 117.51 117.88 3hxz h ILE 313 Ca 0.11 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 3hxz h ILE 313 Cb 0.53 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3hxz h ILE 313 CO 0.03 0.01 -0.02 0.03 0.00 0.00 0.00 178.15 178.20 3hxz h ARG 314 N 0.04 0.76 -0.66 2.37 3.08 -0.94 -0.76 114.38 118.26 3hxz h ARG 314 Ca 0.06 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3hxz h ARG 314 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3hxz h ARG 314 CO -0.12 0.79 0.16 0.00 -1.07 0.00 0.00 179.97 179.73 3hxz h ARG 315 N 0.71 1.04 -0.43 0.04 3.08 -1.07 -0.39 114.38 117.36 3hxz h ARG 315 Ca 0.14 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3hxz h ARG 315 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hxz h ARG 315 CO 0.02 0.92 0.18 0.00 -1.07 0.00 0.00 179.97 180.02 3hxz h ALA 316 N 1.17 0.56 -0.78 0.04 0.00 -0.51 -1.61 119.26 118.14 3hxz h ALA 316 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hxz h ALA 316 Cb 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hxz h ALA 316 CO 0.00 0.17 0.37 0.28 0.00 0.00 0.00 179.25 180.07 3hxz h VAL 317 N 0.56 1.25 -0.43 0.00 2.07 -0.96 -1.20 116.25 117.53 3hxz h VAL 317 Ca 0.15 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3hxz h VAL 317 Cb 0.19 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3hxz h VAL 317 CO -0.01 0.30 0.24 -0.09 0.02 0.00 0.00 177.57 178.03 3hxz h ARG 318 N 1.11 0.47 -0.63 1.57 1.12 -0.82 -0.40 114.38 116.80 3hxz h ARG 318 Ca 0.27 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.10 3hxz h ARG 318 Cb 0.13 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 3hxz h ARG 318 CO -0.03 0.31 0.33 0.45 -3.11 0.00 0.00 179.97 177.92 3hxz h HIS 319 N 0.48 0.86 -0.63 2.20 3.86 -0.93 -1.37 115.15 119.62 3hxz h HIS 319 Ca 0.18 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3hxz h HIS 319 Cb 0.04 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3hxz h HIS 319 CO -0.08 0.61 0.27 0.78 0.86 0.00 0.00 177.93 180.37 3hxz h GLY 320 N 0.95 0.98 1.04 2.45 0.00 -0.48 -2.05 103.07 105.97 3hxz h GLY 320 Ca 0.22 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3hxz h GLY 320 CO -0.03 0.47 0.17 -0.57 0.00 0.00 0.00 176.54 176.58 3hxz h ASN 321 N 0.90 1.01 -0.40 0.19 -0.73 -0.16 -1.11 115.58 115.29 3hxz h ASN 321 Ca 0.22 -0.23 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 3hxz h ASN 321 Cb 0.15 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 3hxz h ASN 321 CO -0.02 0.97 0.15 -0.03 -0.37 0.00 0.00 177.43 178.13 3hxz h MET 322 N 1.00 0.67 0.00 6.67 4.05 -0.87 -1.73 114.93 124.71 3hxz h MET 322 Ca 0.21 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3hxz h MET 322 Cb 0.35 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3hxz h MET 322 CO 0.00 0.58 0.00 1.28 0.23 0.00 0.00 176.91 179.00 3hxz n LEU 323 N -4.34 0.16 0.00 3.39 4.77 -0.81 -4.91 117.00 115.27 3hxz n LEU 323 Ca 0.03 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3hxz n LEU 323 Cb 0.17 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3hxz n LEU 323 CO 0.38 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3hxz n GLY 324 N 0.93 1.17 3.69 -0.72 0.00 -0.65 -4.54 105.19 105.07 3hxz n GLY 324 Ca 0.05 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 3hxz n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxz n ALA 325 N -1.08 2.10 0.47 4.61 0.00 -0.46 -4.87 120.51 121.27 3hxz n ALA 325 Ca 0.00 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.91 3hxz n ALA 325 Cb 0.07 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 3hxz n ALA 325 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hxz n LYS 326 N 4.89 0.35 -4.03 0.00 4.01 -1.26 -4.78 118.16 117.35 3hxz n LYS 326 Ca 0.18 -0.05 -0.09 0.00 -0.51 0.00 0.00 58.31 57.84 3hxz n LYS 326 Cb 0.34 -1.57 -0.09 0.00 -0.51 0.00 0.00 35.03 33.21 3hxz n LYS 326 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hxz s GLU 327 N -3.26 0.89 -0.20 1.97 -1.05 -1.26 -5.11 118.70 110.69 3hxz s GLU 327 Ca 0.01 -1.22 -0.41 0.00 -0.15 0.00 0.00 54.97 53.20 3hxz s GLU 327 Cb 0.14 0.29 -0.17 0.00 -0.44 0.00 0.00 34.13 33.95 3hxz s GLU 327 CO 0.84 -0.27 1.54 2.41 0.95 0.00 0.00 175.26 180.73 3hxz n THR 328 N -0.07 0.14 0.00 1.83 -1.04 -1.26 -4.84 114.28 109.04 3hxz n THR 328 Ca -0.10 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3hxz n THR 328 Cb 0.63 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 3hxz n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxz n PHE 329 N 3.96 0.00 -0.16 -1.42 1.16 -1.26 -4.90 117.46 114.84 3hxz n PHE 329 Ca 0.25 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.77 3hxz n PHE 329 Cb 0.10 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.01 3hxz n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxz h PHE 330 N 0.00 0.50 0.00 2.97 3.57 -1.92 -0.80 116.94 121.26 3hxz h PHE 330 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hxz h PHE 330 Cb 0.44 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3hxz h PHE 330 CO 0.00 0.27 -0.01 0.10 -2.23 0.00 0.00 178.31 176.44 3hxz h TYR 331 N 0.53 0.00 0.00 0.41 -0.00 -1.87 -2.03 116.97 114.02 3hxz h TYR 331 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.93 3hxz h TYR 331 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.80 3hxz h TYR 331 CO -0.08 0.01 0.00 1.63 -0.00 0.00 0.00 178.16 179.72 3hxz n LYS 332 N -3.24 0.07 0.00 0.10 5.02 -0.30 -2.80 118.16 117.01 3hxz n LYS 332 Ca -0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3hxz n LYS 332 Cb 0.11 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 33.91 3hxz n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxz n LEU 333 N -1.45 1.10 -0.14 -0.35 4.77 -0.76 -4.20 117.00 115.96 3hxz n LEU 333 Ca 0.06 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 3hxz n LEU 333 Cb 0.20 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3hxz n LEU 333 CO 0.16 0.21 0.83 0.58 -1.33 0.00 0.00 177.39 177.85 3hxz h VAL 334 N 1.16 1.24 0.65 4.08 2.07 -1.71 -1.13 116.25 122.62 3hxz h VAL 334 Ca 0.00 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3hxz h VAL 334 Cb 0.54 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3hxz h VAL 334 CO 0.00 0.31 -0.42 1.23 0.02 0.00 0.00 177.57 178.70 3hxz h GLY 335 N 0.53 -1.13 0.03 2.17 0.00 -1.81 -0.98 103.07 101.88 3hxz h GLY 335 Ca 0.12 0.47 0.21 0.00 0.00 0.00 0.00 47.33 48.14 3hxz h GLY 335 CO 0.01 -0.39 0.61 -2.55 0.00 0.00 0.00 176.54 174.22 3hxz h PRO 336 N -1.02 0.66 -0.25 4.80 0.11 -1.77 -1.87 132.00 132.66 3hxz h PRO 336 Ca -0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3hxz h PRO 336 Cb 0.83 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3hxz h PRO 336 CO 0.07 0.44 0.06 1.25 -0.21 0.00 0.00 178.00 179.60 3hxz h LEU 337 N 0.68 0.39 -1.20 2.35 5.85 -0.87 -2.65 115.31 119.86 3hxz h LEU 337 Ca 0.60 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 59.17 3hxz h LEU 337 Cb 1.04 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 3hxz h LEU 337 CO -0.41 0.53 0.57 0.40 -0.34 0.00 0.00 178.44 179.19 3hxz h ILE 338 N 0.23 0.98 0.00 4.05 2.04 -0.66 -2.17 117.51 121.99 3hxz h ILE 338 Ca 0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3hxz h ILE 338 Cb 0.29 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3hxz h ILE 338 CO 0.00 0.16 -0.09 0.44 0.00 0.00 0.00 178.15 178.66 3hxz h ASP 339 N 0.90 0.00 -0.00 1.72 3.32 -1.00 -3.05 116.42 118.30 3hxz h ASP 339 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3hxz h ASP 339 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hxz h ASP 339 CO -0.17 0.09 -0.72 1.33 -1.72 0.00 0.00 179.24 178.05 3hxz n VAL 340 N -3.29 0.00 0.67 -1.35 0.24 -0.86 -4.55 118.33 109.20 3hxz n VAL 340 Ca -0.00 -0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.27 3hxz n VAL 340 Cb 0.31 1.04 0.17 0.00 -1.47 0.00 0.00 33.84 33.89 3hxz n VAL 340 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hxz n MET 341 N -1.17 0.23 0.00 7.34 2.81 -0.96 -4.89 117.12 120.48 3hxz n MET 341 Ca 0.04 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3hxz n MET 341 Cb 0.28 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 3hxz n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxz n GLY 342 N 1.38 2.95 0.30 3.03 0.00 -1.25 -2.05 105.19 109.55 3hxz n GLY 342 Ca 0.04 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.90 3hxz n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxz h SER 343 N 9.11 0.00 0.69 1.61 4.64 -1.96 -2.34 113.55 125.30 3hxz h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxz h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxz h SER 343 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3hxz n ALA 344 N -2.09 1.89 -0.36 5.18 0.00 -0.87 -2.70 120.51 121.56 3hxz n ALA 344 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3hxz n ALA 344 Cb 0.22 -1.32 0.29 0.00 0.00 0.00 0.00 19.45 18.63 3hxz n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxz n GLY 345 N 0.50 2.61 0.24 0.00 0.00 -0.88 -4.69 105.19 102.97 3hxz n GLY 345 Ca 0.05 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.37 3hxz n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hxz h GLU 346 N 3.72 0.10 -0.06 1.61 5.08 -1.66 0.31 114.58 123.70 3hxz h GLU 346 Ca 0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3hxz h GLU 346 Cb 0.98 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3hxz h GLU 346 CO 0.02 0.07 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.32 3hxz h ASP 347 N 0.11 0.11 -0.06 1.42 3.32 -1.87 -1.64 116.42 117.81 3hxz h ASP 347 Ca 0.34 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 3hxz h ASP 347 Cb 0.56 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hxz h ASP 347 CO -0.56 0.45 -0.59 0.25 -1.72 0.00 0.00 179.24 177.07 3hxz h LEU 348 N 0.10 0.63 -0.74 1.55 5.85 -1.57 -3.15 115.31 117.98 3hxz h LEU 348 Ca 0.01 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.04 3hxz h LEU 348 Cb 0.66 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3hxz h LEU 348 CO 0.05 1.22 0.45 0.50 -0.34 0.00 0.00 178.44 180.32 3hxz h LYS 349 N 0.09 1.00 -0.72 1.25 3.64 -0.81 -0.71 116.57 120.31 3hxz h LYS 349 Ca -0.06 -0.09 0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3hxz h LYS 349 Cb 1.26 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 3hxz h LYS 349 CO 0.12 0.71 0.48 -0.09 -2.27 0.00 0.00 179.45 178.40 3hxz h ARG 350 N 1.01 0.49 -0.18 1.90 2.43 -1.37 -2.78 114.38 115.89 3hxz h ARG 350 Ca 0.27 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3hxz h ARG 350 Cb -0.04 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 3hxz h ARG 350 CO -0.05 0.33 -0.25 1.04 -1.51 0.00 0.00 179.97 179.52 3hxz n GLN 351 N -4.49 1.74 -0.07 0.20 6.02 -0.71 -4.84 117.38 115.24 3hxz n GLN 351 Ca 0.13 -3.19 -0.08 0.00 -0.01 0.00 0.00 57.00 53.85 3hxz n GLN 351 Cb 0.43 -1.71 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3hxz n GLN 351 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hxz h GLN 352 N 0.97 -0.24 -0.48 -1.09 4.15 -0.87 -1.31 115.11 116.25 3hxz h GLN 352 Ca 0.10 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hxz h GLN 352 Cb 1.33 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 3hxz h GLN 352 CO 0.19 -0.16 0.29 0.00 -1.93 0.00 0.00 178.83 177.23 3hxz h ALA 353 N 0.80 0.61 -0.37 3.38 0.00 -1.88 -0.17 119.26 121.64 3hxz h ALA 353 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hxz h ALA 353 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hxz h ALA 353 CO -0.42 0.09 0.24 0.37 0.00 0.00 0.00 179.25 179.53 3hxz h GLN 354 N 0.64 0.47 -0.47 0.00 4.15 -1.86 -1.57 115.11 116.47 3hxz h GLN 354 Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3hxz h GLN 354 Cb -0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3hxz h GLN 354 CO -0.03 0.31 0.14 0.28 -1.93 0.00 0.00 178.83 177.60 3hxz h VAL 355 N 0.49 1.23 -0.43 2.39 2.07 -0.90 -2.07 116.25 119.03 3hxz h VAL 355 Ca 0.14 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3hxz h VAL 355 Cb -0.04 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hxz h VAL 355 CO -0.04 0.28 0.25 -0.33 0.02 0.00 0.00 177.57 177.75 3hxz h GLU 356 N 0.63 0.50 -0.68 1.57 5.08 -0.81 -1.84 114.58 119.03 3hxz h GLU 356 Ca 0.15 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3hxz h GLU 356 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3hxz h GLU 356 CO -0.00 0.33 0.15 0.37 -1.00 0.00 0.00 179.01 178.85 3hxz h GLN 357 N 0.51 1.10 -0.29 2.33 5.75 -1.17 -0.08 115.11 123.26 3hxz h GLN 357 Ca 0.17 -0.27 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3hxz h GLN 357 Cb 0.00 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3hxz h GLN 357 CO -0.07 0.99 0.17 0.28 -2.65 0.00 0.00 178.83 177.54 3hxz h VAL 358 N 1.03 1.11 -0.41 2.39 2.07 -1.15 -0.28 116.25 121.01 3hxz h VAL 358 Ca 0.21 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3hxz h VAL 358 Cb 0.39 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3hxz h VAL 358 CO 0.01 0.11 -0.13 -0.07 0.02 0.00 0.00 177.57 177.51 3hxz h LEU 359 N 0.36 0.74 -0.05 2.57 3.38 -1.18 -1.73 115.31 119.41 3hxz h LEU 359 Ca 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hxz h LEU 359 Cb 0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hxz h LEU 359 CO -0.02 0.89 0.01 0.50 0.09 0.00 0.00 178.44 179.91 3hxz h LYS 360 N 0.68 0.08 -0.46 1.13 3.64 -0.80 -2.16 116.57 118.68 3hxz h LYS 360 Ca 0.11 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3hxz h LYS 360 Cb 0.60 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3hxz h LYS 360 CO 0.04 0.31 0.26 1.15 -2.27 0.00 0.00 179.45 178.93 3hxz h THR 361 N -0.16 1.01 -0.73 1.00 2.02 -0.98 -1.34 112.91 113.74 3hxz h THR 361 Ca 0.02 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3hxz h THR 361 Cb 0.26 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hxz h THR 361 CO 0.00 0.09 0.34 -0.08 0.37 0.00 0.00 175.52 176.25 3hxz h GLU 362 N 0.51 1.06 -0.36 6.66 4.57 -1.29 -0.57 114.58 125.16 3hxz h GLU 362 Ca 0.19 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3hxz h GLU 362 Cb 0.05 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3hxz h GLU 362 CO -0.11 0.83 -0.08 1.49 -1.18 0.00 0.00 179.01 179.97 3hxz h GLU 363 N 1.03 0.69 -0.84 1.92 4.81 -1.16 -1.80 114.58 119.23 3hxz h GLU 363 Ca 0.25 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3hxz h GLU 363 Cb 0.13 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3hxz h GLU 363 CO -0.03 0.84 0.55 0.93 -0.73 0.00 0.00 179.01 180.57 3hxz h GLU 364 N 0.49 1.11 -0.55 1.92 5.08 -1.09 -0.03 114.58 121.51 3hxz h GLU 364 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hxz h GLU 364 Cb 0.58 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3hxz h GLU 364 CO 0.03 0.74 0.30 0.37 -1.00 0.00 0.00 179.01 179.46 3hxz h GLN 365 N 1.14 0.77 -0.00 2.33 5.75 -0.97 -2.97 115.11 121.16 3hxz h GLN 365 Ca 0.31 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.58 3hxz h GLN 365 Cb -0.12 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 3hxz h GLN 365 CO -0.06 0.59 -0.65 0.35 -2.65 0.00 0.00 178.83 176.41 3hxz h PHE 366 N 0.74 0.01 0.00 3.99 3.57 -0.99 -2.99 116.94 121.28 3hxz h PHE 366 Ca 0.19 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hxz h PHE 366 Cb 0.05 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3hxz h PHE 366 CO -0.01 0.65 0.00 0.00 -2.23 0.00 0.00 178.31 176.72 3hxz h ALA 367 N 1.35 1.00 0.00 2.41 0.00 -0.84 -0.08 119.26 123.10 3hxz h ALA 367 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hxz h ALA 367 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hxz h ALA 367 CO 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.27 3hxz h ARG 368 N 0.00 0.00 0.00 0.00 3.08 -1.52 -3.31 114.38 112.63 3hxz h ARG 368 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hxz h ARG 368 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hxz h ARG 368 CO 0.00 0.07 -0.07 0.25 -1.07 0.00 0.00 179.97 179.15 3hxz n THR 369 N -3.68 0.00 0.30 2.04 -2.24 -0.64 -4.89 114.28 105.17 3hxz n THR 369 Ca -0.02 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3hxz n THR 369 Cb 0.17 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 3hxz n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxz h LEU 370 N 0.00 -1.18 -0.94 3.22 5.85 -1.14 0.12 115.31 121.24 3hxz h LEU 370 Ca 0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3hxz h LEU 370 Cb 0.00 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3hxz h LEU 370 CO 0.00 -0.61 0.32 -0.33 -0.34 0.00 0.00 178.44 177.48 3hxz h GLU 371 N -0.94 1.09 -0.62 1.25 5.08 -1.87 0.22 114.58 118.80 3hxz h GLU 371 Ca -0.07 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3hxz h GLU 371 Cb 0.79 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3hxz h GLU 371 CO -0.01 0.87 0.27 0.00 -1.00 0.00 0.00 179.01 179.14 3hxz h ARG 372 N 1.07 0.91 -0.66 2.33 3.08 -1.88 -0.00 114.38 119.25 3hxz h ARG 372 Ca 0.25 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3hxz h ARG 372 Cb 0.17 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hxz h ARG 372 CO -0.03 0.76 0.13 0.78 -1.07 0.00 0.00 179.97 180.54 3hxz h GLY 373 N 0.86 1.16 1.15 0.04 0.00 -0.27 -1.76 103.07 104.25 3hxz h GLY 373 Ca 0.21 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 3hxz h GLY 373 CO -0.02 0.70 0.17 1.41 0.00 0.00 0.00 176.54 178.80 3hxz h LEU 374 N 0.99 0.99 -0.52 3.11 3.38 -0.69 -0.15 115.31 122.42 3hxz h LEU 374 Ca 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hxz h LEU 374 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hxz h LEU 374 CO 0.01 0.95 0.28 0.00 0.09 0.00 0.00 178.44 179.77 3hxz h ALA 375 N 1.18 0.67 -0.37 1.53 0.00 -0.77 0.88 119.26 122.38 3hxz h ALA 375 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hxz h ALA 375 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hxz h ALA 375 CO -0.00 0.20 0.17 1.25 0.00 0.00 0.00 179.25 180.87 3hxz h LEU 376 N 0.70 0.49 -0.75 0.00 5.85 -1.01 -0.48 115.31 120.10 3hxz h LEU 376 Ca 0.18 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hxz h LEU 376 Cb 0.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3hxz h LEU 376 CO -0.03 0.48 0.47 0.25 -0.34 0.00 0.00 178.44 179.27 3hxz h LEU 377 N 0.46 0.89 -0.18 2.25 5.85 -0.76 -0.08 115.31 123.75 3hxz h LEU 377 Ca 0.13 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hxz h LEU 377 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3hxz h LEU 377 CO -0.02 0.68 0.09 0.44 -0.34 0.00 0.00 178.44 179.30 3hxz h ASP 378 N 1.02 0.15 -0.52 1.25 3.32 -0.64 -0.26 116.42 120.74 3hxz h ASP 378 Ca 0.27 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.41 3hxz h ASP 378 Cb -0.06 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 3hxz h ASP 378 CO -0.05 0.11 0.14 -0.33 -1.72 0.00 0.00 179.24 177.39 3hxz h GLU 379 N 0.20 0.29 -0.32 3.56 5.08 -0.58 0.00 114.58 122.80 3hxz h GLU 379 Ca 0.07 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3hxz h GLU 379 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hxz h GLU 379 CO -0.04 0.19 -0.30 0.93 -1.00 0.00 0.00 179.01 178.78 3hxz h GLU 380 N 0.29 0.69 -0.07 2.33 4.39 -0.76 -3.09 114.58 118.37 3hxz h GLU 380 Ca 0.26 -0.31 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 3hxz h GLU 380 Cb 0.32 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3hxz h GLU 380 CO -0.30 0.90 -0.71 -0.07 -1.16 0.00 0.00 179.01 177.67 3hxz h LEU 381 N 0.59 0.39 -1.70 1.33 3.38 -0.70 -1.85 115.31 116.75 3hxz h LEU 381 Ca 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hxz h LEU 381 Cb 0.81 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hxz h LEU 381 CO 0.07 0.98 -0.11 0.00 0.09 0.00 0.00 178.44 179.46 3hxz h ALA 382 N 1.02 1.75 -0.16 1.53 0.00 -0.92 -2.56 119.26 119.92 3hxz h ALA 382 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hxz h ALA 382 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hxz h ALA 382 CO 0.12 0.19 0.00 0.36 0.00 0.00 0.00 179.25 179.91 3hxz n LYS 383 N -4.38 1.58 -2.23 0.00 2.85 -1.19 -5.00 118.16 109.79 3hxz n LYS 383 Ca -0.02 -1.60 -0.41 0.00 -1.05 0.00 0.00 58.31 55.22 3hxz n LYS 383 Cb 0.20 -1.27 -0.03 0.00 -0.65 0.00 0.00 35.03 33.28 3hxz n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxz s LEU 384 N -1.05 4.43 -0.25 -5.58 2.96 -0.70 -5.02 118.68 113.47 3hxz s LEU 384 Ca 0.20 2.41 -0.06 0.00 -0.22 0.00 0.00 54.13 56.46 3hxz s LEU 384 Cb 0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3hxz s LEU 384 CO 0.17 -0.50 0.02 -0.55 -1.32 0.00 0.00 176.35 174.18 3hxz s SER 385 N 0.18 4.78 0.00 3.68 0.15 -1.26 -5.00 113.70 116.23 3hxz s SER 385 Ca 0.55 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.76 3hxz s SER 385 Cb -0.36 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 3hxz s SER 385 CO 0.40 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3hxz n GLY 386 N 4.85 -1.34 1.01 9.45 0.00 -1.26 -4.80 105.19 113.09 3hxz n GLY 386 Ca -0.16 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.75 3hxz n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxz n ASP 387 N 0.00 3.77 -3.83 1.61 5.75 -1.26 -4.94 116.55 117.65 3hxz n ASP 387 Ca 0.00 -2.43 -0.21 0.00 -0.01 0.00 0.00 54.79 52.14 3hxz n ASP 387 Cb 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 39.49 3hxz n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxz s THR 388 N -1.79 0.43 0.18 2.12 2.01 -1.26 -0.04 115.64 117.29 3hxz s THR 388 Ca 0.38 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 3hxz s THR 388 Cb 0.25 -0.53 -0.08 0.00 0.01 0.00 0.00 72.50 72.15 3hxz s THR 388 CO 0.17 0.24 1.22 -0.22 -0.69 0.00 0.00 174.62 175.34 3hxz s LEU 389 N 1.46 4.43 0.60 4.42 2.96 0.49 -4.87 118.68 128.18 3hxz s LEU 389 Ca -0.03 2.25 -0.18 0.00 -0.22 0.00 0.00 54.13 55.95 3hxz s LEU 389 Cb -0.13 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3hxz s LEU 389 CO -0.03 -0.41 1.16 1.51 -1.32 0.00 0.00 176.35 177.26 3hxz s ASP 390 N 0.27 5.26 0.41 3.68 -4.77 -1.26 -1.26 116.67 118.99 3hxz s ASP 390 Ca 0.54 2.24 0.10 0.00 -3.30 0.00 0.00 52.55 52.14 3hxz s ASP 390 Cb -0.33 -2.58 0.86 0.00 -1.09 0.00 0.00 42.92 39.78 3hxz s ASP 390 CO 0.36 -1.54 1.96 1.23 0.70 0.00 0.00 175.17 177.88 3hxz h GLY 391 N 0.72 0.23 1.14 2.12 0.00 -1.84 -2.64 103.07 102.80 3hxz h GLY 391 Ca -0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 3hxz h GLY 391 CO 0.55 0.12 0.19 -2.09 0.00 0.00 0.00 176.54 175.31 3hxz h GLU 392 N 0.21 1.07 -0.21 4.80 4.81 -1.92 0.55 114.58 123.89 3hxz h GLU 392 Ca 0.05 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 3hxz h GLU 392 Cb 0.29 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hxz h GLU 392 CO 0.02 0.93 -0.28 1.15 -0.73 0.00 0.00 179.01 180.10 3hxz h THR 393 N 1.03 1.33 -0.64 0.32 2.02 -1.89 -0.41 112.91 114.67 3hxz h THR 393 Ca 0.22 -1.47 0.06 0.00 0.77 0.00 0.00 66.41 65.99 3hxz h THR 393 Cb 0.32 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 3hxz h THR 393 CO -0.00 0.45 0.34 0.00 0.37 0.00 0.00 175.52 176.68 3hxz h ALA 394 N 0.63 0.85 -0.53 6.16 0.00 -1.30 -0.88 119.26 124.19 3hxz h ALA 394 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hxz h ALA 394 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hxz h ALA 394 CO 0.07 -0.01 -0.04 0.35 0.00 0.00 0.00 179.25 179.62 3hxz h PHE 395 N 0.62 1.02 -0.59 0.00 3.57 -0.76 -1.95 116.94 118.85 3hxz h PHE 395 Ca 0.29 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hxz h PHE 395 Cb 0.21 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3hxz h PHE 395 CO -0.09 0.93 0.20 -0.09 -2.23 0.00 0.00 178.31 177.03 3hxz h ARG 396 N 0.85 0.90 -0.63 1.11 2.43 -0.56 0.37 114.38 118.85 3hxz h ARG 396 Ca 0.15 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hxz h ARG 396 Cb 0.55 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3hxz h ARG 396 CO 0.03 0.79 0.37 -0.07 -1.51 0.00 0.00 179.97 179.58 3hxz h LEU 397 N 0.82 0.75 0.21 3.80 3.38 -1.03 0.16 115.31 123.40 3hxz h LEU 397 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hxz h LEU 397 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hxz h LEU 397 CO -0.01 0.59 -0.10 0.22 0.09 0.00 0.00 178.44 179.23 3hxz h TYR 398 N 0.86 -0.26 -0.23 1.13 3.20 -0.78 -0.89 116.97 120.02 3hxz h TYR 398 Ca 0.23 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 3hxz h TYR 398 Cb -0.02 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3hxz h TYR 398 CO 0.00 0.14 -0.45 0.22 -1.64 0.00 0.00 178.16 176.43 3hxz h ASP 399 N -0.79 0.79 0.14 -2.11 3.58 -0.16 -1.70 116.42 116.16 3hxz h ASP 399 Ca -0.03 -0.55 -0.36 0.00 0.42 0.00 0.00 57.03 56.52 3hxz h ASP 399 Cb 0.51 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 3hxz h ASP 399 CO 0.05 1.19 -1.90 0.74 -2.88 0.00 0.00 179.24 176.43 3hxz h THR 400 N 0.42 0.73 -0.01 2.25 2.02 -1.13 -3.41 112.91 113.77 3hxz h THR 400 Ca 0.01 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 3hxz h THR 400 Cb 1.05 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 3hxz h THR 400 CO 0.10 0.87 -0.35 -1.22 0.37 0.00 0.00 175.52 175.29 3hxz n TYR 401 N -3.55 0.00 -2.26 3.16 4.01 -0.83 -4.99 117.16 112.70 3hxz n TYR 401 Ca -0.30 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.35 3hxz n TYR 401 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.07 3hxz n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxz n GLY 402 N 1.11 0.01 3.55 2.72 0.00 -0.64 -4.73 105.19 107.21 3hxz n GLY 402 Ca 0.05 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3hxz n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxz s PHE 403 N -2.54 2.96 0.60 1.61 0.40 -0.42 -4.95 117.98 115.64 3hxz s PHE 403 Ca 0.03 0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 56.43 3hxz s PHE 403 Cb -0.01 -3.80 -0.03 0.00 0.51 0.00 0.00 43.02 39.68 3hxz s PHE 403 CO 0.03 -1.04 1.23 -2.30 0.70 0.00 0.00 175.22 173.85 3hxz n PRO 404 N 6.92 1.26 0.09 0.24 -0.02 -1.26 -3.46 135.00 138.78 3hxz n PRO 404 Ca 0.04 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 3hxz n PRO 404 Cb 0.48 -2.45 0.48 0.00 -0.02 0.00 0.00 33.50 31.99 3hxz n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxz h VAL 405 N 0.85 1.09 0.00 -1.45 3.04 -1.96 -0.95 116.25 116.87 3hxz h VAL 405 Ca -0.50 -0.24 -0.08 0.00 -1.01 0.00 0.00 66.70 64.87 3hxz h VAL 405 Cb 1.33 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 3hxz h VAL 405 CO 0.54 0.10 -0.39 -2.24 -1.01 0.00 0.00 177.57 174.57 3hxz h ASP 406 N 0.34 0.00 -0.25 3.17 3.04 -1.98 0.01 116.42 120.75 3hxz h ASP 406 Ca 0.09 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.77 3hxz h ASP 406 Cb 0.03 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.32 3hxz h ASP 406 CO -0.01 0.39 -0.26 0.25 -2.04 0.00 0.00 179.24 177.56 3hxz h LEU 407 N 0.00 0.67 -0.53 0.15 6.46 -1.54 -0.89 115.31 119.63 3hxz h LEU 407 Ca -0.00 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 3hxz h LEU 407 Cb 0.93 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 3hxz h LEU 407 CO 0.05 1.01 0.26 0.74 -0.62 0.00 0.00 178.44 179.89 3hxz h THR 408 N 0.34 1.20 -0.69 1.05 2.02 -1.22 -2.51 112.91 113.10 3hxz h THR 408 Ca 0.04 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3hxz h THR 408 Cb 0.83 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3hxz h THR 408 CO 0.07 0.22 0.33 0.00 0.37 0.00 0.00 175.52 176.51 3hxz h ALA 409 N 1.10 1.29 -0.35 6.16 0.00 -0.97 -1.89 119.26 124.60 3hxz h ALA 409 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hxz h ALA 409 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hxz h ALA 409 CO -0.02 0.55 0.22 0.22 0.00 0.00 0.00 179.25 180.22 3hxz h ASP 410 N 0.98 0.40 -0.33 0.00 3.58 -0.88 0.17 116.42 120.34 3hxz h ASP 410 Ca 0.24 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3hxz h ASP 410 Cb 0.10 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3hxz h ASP 410 CO -0.03 0.30 0.16 0.58 -2.88 0.00 0.00 179.24 177.37 3hxz h VAL 411 N 0.46 1.15 -0.41 2.25 2.07 -1.25 -2.98 116.25 117.54 3hxz h VAL 411 Ca 0.13 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3hxz h VAL 411 Cb -0.04 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3hxz h VAL 411 CO -0.03 0.16 -0.06 0.00 0.02 0.00 0.00 177.57 177.66 3hxz h ARG 413 N 0.64 0.94 0.00 0.00 2.43 -0.52 0.10 114.38 117.98 3hxz h ARG 413 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hxz h ARG 413 Cb 0.49 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hxz h ARG 413 CO 0.03 0.62 0.00 0.93 -1.51 0.00 0.00 179.97 180.04 3hxz h GLU 414 N 0.97 0.00 -0.21 0.20 5.08 -1.36 -1.82 114.58 117.44 3hxz h GLU 414 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3hxz h GLU 414 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hxz h GLU 414 CO -0.07 0.00 -0.00 0.54 -1.00 0.00 0.00 179.01 178.47 3hxz n ARG 415 N -2.95 2.52 -3.68 2.33 1.74 -0.32 -4.96 116.66 111.34 3hxz n ARG 415 Ca -0.01 -2.81 -0.26 0.00 -0.77 0.00 0.00 57.85 54.00 3hxz n ARG 415 Cb 0.16 -1.77 0.06 0.00 -1.02 0.00 0.00 32.46 29.89 3hxz n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxz n ASN 416 N -0.74 -5.84 -4.24 0.55 3.02 -0.69 -5.00 115.26 102.33 3hxz n ASN 416 Ca 0.21 -0.61 -0.30 0.00 -0.03 0.00 0.00 54.58 53.84 3hxz n ASN 416 Cb 0.85 -4.62 -0.16 0.00 -0.61 0.00 0.00 39.78 35.24 3hxz n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxz s ILE 417 N -3.30 1.94 0.61 2.41 -1.09 0.21 -4.95 121.20 117.02 3hxz s ILE 417 Ca 0.60 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3hxz s ILE 417 Cb -0.28 -1.64 0.05 0.00 -1.58 0.00 0.00 42.46 39.00 3hxz s ILE 417 CO 0.75 0.54 0.87 -0.54 -1.23 0.00 0.00 174.94 175.32 3hxz s LYS 418 N -0.11 2.37 -0.06 2.79 1.02 0.94 -3.05 119.74 123.64 3hxz s LYS 418 Ca -0.04 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.37 3hxz s LYS 418 Cb -0.13 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3hxz s LYS 418 CO 0.04 -0.93 -0.22 0.08 -0.92 0.00 0.00 175.35 173.39 3hxz s VAL 419 N -2.94 1.88 -0.93 3.17 1.01 -1.26 -0.38 120.40 120.95 3hxz s VAL 419 Ca 0.59 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 3hxz s VAL 419 Cb -0.10 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3hxz s VAL 419 CO 0.41 0.52 1.70 -0.62 0.00 0.00 0.00 175.10 177.11 3hxz s ASP 420 N 0.04 5.78 0.23 3.32 2.15 -0.39 -4.82 116.67 122.98 3hxz s ASP 420 Ca -0.08 -0.93 -0.06 0.00 0.43 0.00 0.00 52.55 51.91 3hxz s ASP 420 Cb -0.14 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.13 3hxz s ASP 420 CO 0.05 -2.15 1.79 -0.33 -0.17 0.00 0.00 175.17 174.36 3hxz h GLU 421 N 10.81 1.13 -0.77 4.34 4.39 -1.97 -1.85 114.58 130.66 3hxz h GLU 421 Ca 0.10 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3hxz h GLU 421 Cb 1.02 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 3hxz h GLU 421 CO 1.31 0.92 0.40 0.00 -1.16 0.00 0.00 179.01 180.48 3hxz h ALA 422 N 1.21 0.98 -0.54 3.43 0.00 -1.99 -0.31 119.26 122.05 3hxz h ALA 422 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hxz h ALA 422 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hxz h ALA 422 CO -0.02 0.51 0.15 0.78 0.00 0.00 0.00 179.25 180.67 3hxz h GLY 423 N 1.06 0.91 0.93 0.00 0.00 -1.86 0.05 103.07 104.16 3hxz h GLY 423 Ca 0.27 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hxz h GLY 423 CO -0.04 0.52 0.23 -2.75 0.00 0.00 0.00 176.54 174.49 3hxz h PHE 424 N 0.75 0.43 -0.69 5.60 3.04 -1.00 -1.03 116.94 124.03 3hxz h PHE 424 Ca 0.17 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 3hxz h PHE 424 Cb 0.30 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 3hxz h PHE 424 CO 0.02 0.26 0.24 0.93 -2.02 0.00 0.00 178.31 177.73 3hxz h GLU 425 N 0.47 1.05 -0.65 1.11 4.39 -0.88 -0.82 114.58 119.25 3hxz h GLU 425 Ca 0.15 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3hxz h GLU 425 Cb -0.01 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3hxz h GLU 425 CO -0.06 0.88 0.35 0.00 -1.16 0.00 0.00 179.01 179.01 3hxz h ALA 426 N 1.24 0.83 -0.56 3.43 0.00 -0.65 -0.59 119.26 122.96 3hxz h ALA 426 Ca 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hxz h ALA 426 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hxz h ALA 426 CO -0.01 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.78 3hxz h ALA 427 N 1.17 0.73 -0.49 0.00 0.00 -0.83 -0.08 119.26 119.75 3hxz h ALA 427 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hxz h ALA 427 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hxz h ALA 427 CO -0.03 0.38 0.32 0.52 0.00 0.00 0.00 179.25 180.43 3hxz h MET 428 N 0.77 0.63 -0.54 0.00 2.07 -0.91 -1.97 114.93 114.98 3hxz h MET 428 Ca 0.18 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.66 3hxz h MET 428 Cb 0.26 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 3hxz h MET 428 CO -0.01 0.41 -0.11 1.49 1.07 0.00 0.00 176.91 179.77 3hxz h GLU 429 N 0.64 1.02 -0.76 1.72 4.57 -0.89 -1.00 114.58 119.88 3hxz h GLU 429 Ca 0.18 -0.38 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3hxz h GLU 429 Cb -0.06 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.41 3hxz h GLU 429 CO -0.05 1.07 0.44 0.93 -1.18 0.00 0.00 179.01 180.22 3hxz h GLU 430 N 0.89 0.77 -0.52 1.92 5.08 -0.84 -0.47 114.58 121.42 3hxz h GLU 430 Ca 0.14 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3hxz h GLU 430 Cb 0.67 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3hxz h GLU 430 CO 0.05 0.51 -0.13 0.37 -1.00 0.00 0.00 179.01 178.80 3hxz h GLN 431 N 0.79 1.01 -0.94 2.33 4.15 -1.03 -1.67 115.11 119.75 3hxz h GLN 431 Ca 0.34 -0.39 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3hxz h GLN 431 Cb 0.22 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3hxz h GLN 431 CO -0.19 1.07 0.62 0.00 -1.93 0.00 0.00 178.83 178.39 3hxz h ARG 432 N 0.88 1.21 -0.55 1.69 3.08 -0.70 -0.69 114.38 119.29 3hxz h ARG 432 Ca 0.13 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hxz h ARG 432 Cb 0.70 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3hxz h ARG 432 CO 0.05 0.80 0.30 0.00 -1.07 0.00 0.00 179.97 180.05 3hxz h ARG 433 N 1.24 0.77 -0.78 0.04 2.47 -0.78 -0.68 114.38 116.67 3hxz h ARG 433 Ca 0.35 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 3hxz h ARG 433 Cb -0.10 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.03 3hxz h ARG 433 CO -0.09 0.60 0.50 0.00 0.56 0.00 0.00 179.97 181.54 3hxz h ARG 434 N 0.74 1.03 -0.64 0.04 3.08 -0.88 -0.32 114.38 117.44 3hxz h ARG 434 Ca 0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3hxz h ARG 434 Cb 0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3hxz h ARG 434 CO -0.03 0.70 0.32 0.00 -1.07 0.00 0.00 179.97 179.89 3hxz h ALA 435 N 1.27 0.82 -0.46 0.04 0.00 -0.72 -1.45 119.26 118.77 3hxz h ALA 435 Ca 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hxz h ALA 435 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3hxz h ALA 435 CO -0.06 0.37 0.15 0.00 0.00 0.00 0.00 179.25 179.71 3hxz h ARG 436 N 0.88 0.70 -0.62 0.00 3.08 -0.77 -0.42 114.38 117.23 3hxz h ARG 436 Ca 0.22 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hxz h ARG 436 Cb 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hxz h ARG 436 CO -0.03 0.67 0.41 1.49 -1.07 0.00 0.00 179.97 181.44 3hxz h GLU 437 N 0.60 0.81 -0.09 0.04 4.81 -0.87 -0.91 114.58 118.96 3hxz h GLU 437 Ca 0.15 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 3hxz h GLU 437 Cb 0.25 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.46 3hxz h GLU 437 CO -0.01 0.54 -0.83 0.00 -0.73 0.00 0.00 179.01 177.99 3hxz h ALA 438 N 1.22 0.36 -0.05 2.92 0.00 -1.18 -3.30 119.26 119.23 3hxz h ALA 438 Ca 0.23 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3hxz h ALA 438 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hxz h ALA 438 CO -0.05 0.72 -0.74 1.03 0.00 0.00 0.00 179.25 180.21 3hxz h SER 439 N 0.42 0.35 0.00 0.00 0.87 -0.97 -3.49 113.55 110.73 3hxz h SER 439 Ca -0.06 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3hxz h SER 439 Cb 1.45 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3hxz h SER 439 CO 0.16 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 178.04 3hxz n GLY 440 N 0.57 -0.09 0.00 5.77 0.00 -0.36 -5.08 105.19 106.00 3hxz n GLY 440 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3hxz n GLY 440 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65