#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hl9 s ALA 11 N 0.00 2.25 0.18 0.00 0.00 -1.26 -4.72 121.76 118.21 3hl9 s ALA 11 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 3hl9 s ALA 11 Cb 0.00 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.87 3hl9 s ALA 11 CO 0.00 -1.65 1.61 -0.44 0.00 0.00 0.00 175.76 175.27 3hl9 h ASP 12 N -0.41 -0.95 -0.36 0.00 5.19 -2.00 0.12 116.42 118.00 3hl9 h ASP 12 Ca -0.46 0.19 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 3hl9 h ASP 12 Cb 1.26 0.48 -0.02 0.00 0.18 0.00 0.00 39.33 41.24 3hl9 h ASP 12 CO 0.51 -0.29 -0.18 -0.65 -3.12 0.00 0.00 179.24 175.52 3hl9 h PRO 13 N -0.17 0.84 0.00 3.56 0.11 -1.92 -2.88 132.00 131.53 3hl9 h PRO 13 Ca 0.21 -0.32 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 3hl9 h PRO 13 Cb 0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3hl9 h PRO 13 CO -0.58 0.95 -0.54 0.28 -0.21 0.00 0.00 178.00 177.90 3hl9 h VAL 14 N 0.74 1.36 0.11 3.15 2.07 -1.55 0.10 116.25 122.23 3hl9 h VAL 14 Ca 0.11 -1.85 -0.29 0.00 0.82 0.00 0.00 66.70 65.48 3hl9 h VAL 14 Cb 0.70 2.00 0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3hl9 h VAL 14 CO 0.05 0.52 -1.22 -0.37 0.02 0.00 0.00 177.57 176.57 3hl9 h VAL 15 N 0.00 1.30 -0.69 2.57 -1.51 -0.81 -1.60 116.25 115.51 3hl9 h VAL 15 Ca -0.01 -2.48 -0.02 0.00 -1.23 0.00 0.00 66.70 62.96 3hl9 h VAL 15 Cb 0.96 2.67 -0.03 0.00 -2.13 0.00 0.00 31.29 32.76 3hl9 h VAL 15 CO 0.07 0.75 0.34 -0.07 -1.23 0.00 0.00 177.57 177.43 3hl9 h LEU 16 N 0.27 0.89 0.26 4.19 3.38 -1.35 -2.04 115.31 120.92 3hl9 h LEU 16 Ca -0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3hl9 h LEU 16 Cb 1.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3hl9 h LEU 16 CO 0.23 0.77 -0.13 -0.03 0.09 0.00 0.00 178.44 179.37 3hl9 h MET 17 N 0.96 -0.34 -0.92 1.13 4.05 -1.03 -1.76 114.93 117.02 3hl9 h MET 17 Ca 0.24 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.72 3hl9 h MET 17 Cb 0.10 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 3hl9 h MET 17 CO -0.03 -0.22 0.60 0.93 0.23 0.00 0.00 176.91 178.41 3hl9 h GLU 18 N -0.36 1.12 0.00 0.39 5.08 -1.04 -1.62 114.58 118.15 3hl9 h GLU 18 Ca -0.04 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 3hl9 h GLU 18 Cb 0.28 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hl9 h GLU 18 CO 0.06 0.74 -0.74 1.79 -1.00 0.00 0.00 179.01 179.86 3hl9 h THR 19 N 1.15 1.45 -0.28 1.13 1.35 -1.39 -2.27 112.91 114.05 3hl9 h THR 19 Ca 0.37 -2.60 -0.03 0.00 -0.55 0.00 0.00 66.41 63.59 3hl9 h THR 19 Cb 0.02 2.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 3hl9 h THR 19 CO -0.12 0.72 0.03 0.00 -0.25 0.00 0.00 175.52 175.90 3hl9 h ALA 20 N 1.26 1.53 -0.25 6.62 0.00 -0.42 0.52 119.26 128.51 3hl9 h ALA 20 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3hl9 h ALA 20 Cb 1.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3hl9 h ALA 20 CO 0.10 0.35 -0.08 0.74 0.00 0.00 0.00 179.25 180.35 3hl9 h PHE 21 N 0.41 0.56 -0.28 0.00 -1.00 -1.20 -2.83 116.94 112.59 3hl9 h PHE 21 Ca 0.09 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 3hl9 h PHE 21 Cb 0.23 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3hl9 h PHE 21 CO 0.01 0.73 -0.11 -0.09 -1.61 0.00 0.00 178.31 177.24 3hl9 h ARG 22 N 0.23 0.47 0.01 1.51 9.65 -0.78 -0.99 114.38 124.48 3hl9 h ARG 22 Ca 0.06 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3hl9 h ARG 22 Cb 0.56 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3hl9 h ARG 22 CO 0.03 0.58 -0.01 -0.22 2.80 0.00 0.00 179.97 183.15 3hl9 h LYS 23 N 0.44 -0.02 -0.05 0.20 3.64 -0.03 -2.80 116.57 117.94 3hl9 h LYS 23 Ca 0.08 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3hl9 h LYS 23 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3hl9 h LYS 23 CO 0.03 -0.01 -0.22 0.00 -2.27 0.00 0.00 179.45 176.98 3hl9 h ALA 24 N 0.97 1.55 -0.31 5.00 0.00 -1.05 -1.41 119.26 124.01 3hl9 h ALA 24 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 3hl9 h ALA 24 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hl9 h ALA 24 CO -0.00 0.33 -0.50 0.28 0.00 0.00 0.00 179.25 179.36 3hl9 h VAL 25 N 0.07 1.28 0.12 0.00 2.07 -1.15 -1.76 116.25 116.88 3hl9 h VAL 25 Ca 0.01 -1.68 -0.29 0.00 0.82 0.00 0.00 66.70 65.56 3hl9 h VAL 25 Cb 0.43 1.56 0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3hl9 h VAL 25 CO 0.03 0.55 -1.24 0.50 0.02 0.00 0.00 177.57 177.43 3hl9 h LYS 26 N 0.68 0.56 -0.98 1.57 3.64 -1.19 -3.19 116.57 117.67 3hl9 h LYS 26 Ca 0.03 -0.77 -0.02 0.00 -1.27 0.00 0.00 60.65 58.62 3hl9 h LYS 26 Cb 1.10 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 3hl9 h LYS 26 CO 0.11 1.34 0.03 -1.13 -2.27 0.00 0.00 179.45 177.53 3hl9 n SER 27 N -3.75 2.12 -1.43 4.20 3.41 -0.57 -4.87 113.62 112.73 3hl9 n SER 27 Ca -0.13 -2.11 -0.13 0.00 -0.26 0.00 0.00 58.87 56.24 3hl9 n SER 27 Cb 0.99 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3hl9 n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hl9 n ARG 28 N 0.18 -1.33 0.00 4.33 3.00 -1.21 -4.84 116.66 116.80 3hl9 n ARG 28 Ca 0.04 0.77 -0.18 0.00 -0.01 0.00 0.00 57.85 58.47 3hl9 n ARG 28 Cb 0.45 -5.03 -0.11 0.00 0.00 0.00 0.00 32.46 27.78 3hl9 n ARG 28 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3hl9 h GLN 29 N 0.00 0.47 -5.79 5.56 4.20 -1.59 -3.44 115.11 114.53 3hl9 h GLN 29 Ca -0.27 -0.49 -0.52 0.00 0.06 0.00 0.00 58.65 57.43 3hl9 h GLN 29 Cb 0.87 0.13 -0.14 0.00 0.30 0.00 0.00 27.48 28.65 3hl9 h GLN 29 CO 0.39 1.13 -0.73 0.96 -0.67 0.00 0.00 178.83 179.92 3hl9 s ILE 30 N -3.30 2.00 0.10 2.54 -4.36 -0.79 -4.92 121.20 112.46 3hl9 s ILE 30 Ca -0.13 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 57.98 3hl9 s ILE 30 Cb 0.04 -2.26 -0.25 0.00 1.25 0.00 0.00 42.46 41.25 3hl9 s ILE 30 CO 0.84 -0.44 1.20 -0.65 0.24 0.00 0.00 174.94 176.13 3hl9 h PRO 31 N 2.37 0.27 0.00 0.37 0.11 -1.88 -3.39 132.00 129.85 3hl9 h PRO 31 Ca -0.39 -0.41 0.00 0.00 0.11 0.00 0.00 66.00 65.31 3hl9 h PRO 31 Cb 1.24 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3hl9 h PRO 31 CO 0.63 1.16 0.00 0.41 -0.21 0.00 0.00 178.00 179.99 3hl9 n GLY 32 N 1.36 0.88 3.62 -0.55 0.00 -1.25 -0.30 105.19 108.95 3hl9 n GLY 32 Ca -0.07 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 3hl9 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 s ALA 33 N -2.00 -1.78 -0.21 4.61 0.00 0.67 -4.60 121.76 118.45 3hl9 s ALA 33 Ca 0.00 1.93 -0.05 0.00 0.00 0.00 0.00 51.96 53.84 3hl9 s ALA 33 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3hl9 s ALA 33 CO 0.00 -0.34 0.01 0.08 0.00 0.00 0.00 175.76 175.51 3hl9 s VAL 34 N 0.17 3.99 0.09 0.00 1.01 -0.58 -0.09 120.40 124.99 3hl9 s VAL 34 Ca -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3hl9 s VAL 34 Cb -0.04 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3hl9 s VAL 34 CO 0.02 0.41 -0.21 0.27 0.00 0.00 0.00 175.10 175.59 3hl9 s ILE 35 N 1.16 1.69 -0.19 2.22 -4.36 -0.74 -0.83 121.20 120.15 3hl9 s ILE 35 Ca 0.03 -1.46 -0.14 0.00 -0.26 0.00 0.00 60.65 58.82 3hl9 s ILE 35 Cb -0.14 -1.52 0.06 0.00 1.25 0.00 0.00 42.46 42.10 3hl9 s ILE 35 CO 0.02 -0.00 0.49 -0.04 0.24 0.00 0.00 174.94 175.64 3hl9 s MET 36 N -1.73 0.53 0.04 0.37 -1.94 -0.56 -1.46 119.30 114.55 3hl9 s MET 36 Ca 0.06 0.79 0.03 0.00 -1.71 0.00 0.00 55.69 54.86 3hl9 s MET 36 Cb -0.10 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.88 3hl9 s MET 36 CO 0.04 -0.11 -0.09 0.00 -0.01 0.00 0.00 175.02 174.85 3hl9 s ALA 37 N 0.82 0.70 0.09 3.03 0.00 -0.66 -0.69 121.76 125.05 3hl9 s ALA 37 Ca -0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 3hl9 s ALA 37 Cb -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3hl9 s ALA 37 CO -0.06 0.05 0.27 1.03 0.00 0.00 0.00 175.76 177.05 3hl9 s ARG 38 N -1.37 0.90 0.24 0.00 3.00 -0.71 -2.37 118.95 118.65 3hl9 s ARG 38 Ca -0.06 -0.80 0.06 0.00 0.00 0.00 0.00 55.73 54.92 3hl9 s ARG 38 Cb -0.09 0.38 -0.05 0.00 0.00 0.00 0.00 34.95 35.19 3hl9 s ARG 38 CO 0.01 -0.31 -0.06 0.16 0.00 0.00 0.00 175.30 175.10 3hl9 s ASP 39 N -2.71 2.40 0.56 0.23 -4.77 -1.24 -1.06 116.67 110.07 3hl9 s ASP 39 Ca 0.03 -1.16 0.25 0.00 -3.30 0.00 0.00 52.55 48.37 3hl9 s ASP 39 Cb 0.03 -0.10 1.49 0.00 -1.09 0.00 0.00 42.92 43.25 3hl9 s ASP 39 CO -0.10 -0.36 2.08 0.00 0.70 0.00 0.00 175.17 177.49 3hl9 h ALA 40 N 2.41 2.06 0.00 2.11 0.00 -1.27 -2.31 119.26 122.26 3hl9 h ALA 40 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hl9 h ALA 40 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hl9 h ALA 40 CO 0.65 -0.33 0.00 0.43 0.00 0.00 0.00 179.25 180.00 3hl9 n SER 41 N -4.15 0.10 0.00 0.00 7.64 -1.26 -4.80 113.62 111.15 3hl9 n SER 41 Ca 0.03 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3hl9 n SER 41 Cb 0.35 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3hl9 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hl9 n GLY 42 N -0.18 1.27 0.23 0.23 0.00 -0.87 -4.87 105.19 101.00 3hl9 n GLY 42 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hl9 n GLY 42 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hl9 h ASN 43 N 0.00 0.70 -2.75 1.61 7.08 -1.89 -3.41 115.58 116.90 3hl9 h ASN 43 Ca 0.00 -0.23 -0.53 0.00 -3.08 0.00 0.00 56.30 52.46 3hl9 h ASN 43 Cb 0.00 -0.18 0.03 0.00 -2.08 0.00 0.00 38.32 36.09 3hl9 h ASN 43 CO 0.00 0.75 0.94 -0.22 -2.08 0.00 0.00 177.43 176.82 3hl9 s LEU 44 N -9.61 4.37 -0.45 6.14 2.96 -1.26 -4.94 118.68 115.88 3hl9 s LEU 44 Ca -0.13 2.56 0.06 0.00 -0.22 0.00 0.00 54.13 56.40 3hl9 s LEU 44 Cb 0.11 -3.58 0.19 0.00 0.50 0.00 0.00 46.19 43.41 3hl9 s LEU 44 CO 0.78 -0.86 0.54 -3.20 -1.32 0.00 0.00 176.35 172.30 3hl9 n ASN 45 N 4.76 -1.55 -4.66 3.68 2.85 -1.26 -3.67 115.26 115.40 3hl9 n ASN 45 Ca 0.15 -2.68 -0.35 0.00 -0.11 0.00 0.00 54.58 51.59 3hl9 n ASN 45 Cb 0.39 0.38 -0.10 0.00 1.24 0.00 0.00 39.78 41.70 3hl9 n ASN 45 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3hl9 s TYR 46 N 0.19 3.23 -0.30 1.20 5.04 -1.00 -5.04 117.35 120.68 3hl9 s TYR 46 Ca 0.32 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 55.03 3hl9 s TYR 46 Cb 0.07 -1.95 0.19 0.00 0.35 0.00 0.00 41.96 40.61 3hl9 s TYR 46 CO -0.15 0.30 0.74 -0.08 -1.34 0.00 0.00 175.55 175.02 3hl9 s THR 47 N -0.20 -0.78 -0.06 4.34 -1.32 -1.26 -1.65 115.64 114.71 3hl9 s THR 47 Ca 0.07 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 3hl9 s THR 47 Cb -0.12 -0.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.94 3hl9 s THR 47 CO 0.02 0.00 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.24 3hl9 s ARG 48 N 2.89 1.06 -0.07 7.08 1.81 -0.54 -5.03 118.95 126.15 3hl9 s ARG 48 Ca 0.14 -0.17 -0.06 0.00 -1.72 0.00 0.00 55.73 53.92 3hl9 s ARG 48 Cb -0.12 -1.04 -0.04 0.00 -0.45 0.00 0.00 34.95 33.30 3hl9 s ARG 48 CO -0.19 -0.09 0.19 0.00 -0.68 0.00 0.00 175.30 174.52 3hl9 s PHE 50 N -1.15 0.81 0.00 0.00 0.08 0.88 -5.00 117.98 113.60 3hl9 s PHE 50 Ca 0.20 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3hl9 s PHE 50 Cb -0.13 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.70 3hl9 s PHE 50 CO 0.10 -0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 3hl9 n GLY 51 N 3.50 -1.08 3.72 4.36 0.00 -1.26 -0.24 105.19 114.20 3hl9 n GLY 51 Ca -0.20 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 3hl9 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 s ALA 52 N -1.17 3.40 -0.67 4.61 0.00 0.59 -2.53 121.76 125.99 3hl9 s ALA 52 Ca 0.00 -1.10 0.26 0.00 0.00 0.00 0.00 51.96 51.12 3hl9 s ALA 52 Cb 0.00 -1.28 0.79 0.00 0.00 0.00 0.00 23.12 22.63 3hl9 s ALA 52 CO 0.00 0.70 1.76 0.07 0.00 0.00 0.00 175.76 178.28 3hl9 h ARG 53 N 3.29 0.00 -4.92 0.00 0.11 -1.46 -3.31 114.38 108.08 3hl9 h ARG 53 Ca -0.47 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.12 3hl9 h ARG 53 Cb 1.17 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.12 3hl9 h ARG 53 CO 0.62 0.00 -0.50 -0.08 0.10 0.00 0.00 179.97 180.11 3hl9 s THR 54 N -3.14 0.16 -0.50 0.08 -1.32 -1.26 -3.19 115.64 106.47 3hl9 s THR 54 Ca 0.10 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 58.71 3hl9 s THR 54 Cb 0.11 -2.45 -0.16 0.00 -1.51 0.00 0.00 72.50 68.49 3hl9 s THR 54 CO 0.58 0.00 0.51 1.33 -2.21 0.00 0.00 174.62 174.83 3hl9 n VAL 55 N -0.69 0.00 -2.96 5.08 0.24 -1.26 -4.92 118.33 113.82 3hl9 n VAL 55 Ca 0.03 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3hl9 n VAL 55 Cb 0.63 0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 33.79 3hl9 n VAL 55 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hl9 s ARG 56 N -2.39 4.23 0.29 7.34 3.52 -1.26 -4.96 118.95 125.73 3hl9 s ARG 56 Ca 0.03 0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 3hl9 s ARG 56 Cb 0.10 -3.60 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 3hl9 s ARG 56 CO 0.55 -0.36 1.17 1.03 -0.81 0.00 0.00 175.30 176.87 3hl9 s ARG 57 N 2.30 4.55 0.02 5.12 0.52 -1.26 -4.84 118.95 125.36 3hl9 s ARG 57 Ca 0.34 1.94 -0.00 0.00 -0.52 0.00 0.00 55.73 57.48 3hl9 s ARG 57 Cb -0.16 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.16 3hl9 s ARG 57 CO 0.10 0.08 0.02 -0.40 0.02 0.00 0.00 175.30 175.12 3hl9 n ASP 58 N 1.12 -0.87 0.29 0.23 5.68 -1.13 -4.86 116.55 117.00 3hl9 n ASP 58 Ca -0.01 -0.58 0.14 0.00 -0.50 0.00 0.00 54.79 53.84 3hl9 n ASP 58 Cb 0.44 -0.02 0.85 0.00 -1.14 0.00 0.00 41.12 41.25 3hl9 n ASP 58 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hl9 h GLU 59 N 0.00 0.00 -0.72 0.11 3.07 -1.96 -2.84 114.58 112.25 3hl9 h GLU 59 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3hl9 h GLU 59 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3hl9 h GLU 59 CO 0.01 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.75 3hl9 n ASN 60 N -3.75 4.22 -0.70 1.42 4.13 -1.26 -4.95 115.26 114.37 3hl9 n ASN 60 Ca -0.03 -2.13 -0.09 0.00 1.68 0.00 0.00 54.58 54.01 3hl9 n ASN 60 Cb 0.14 -0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 37.82 3hl9 n ASN 60 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3hl9 n ASN 61 N 1.52 -4.40 -4.32 6.41 5.15 -1.07 -5.00 115.26 113.55 3hl9 n ASN 61 Ca 0.25 0.23 -0.23 0.00 -0.60 0.00 0.00 54.58 54.23 3hl9 n ASN 61 Cb 0.71 -2.70 -0.12 0.00 -0.53 0.00 0.00 39.78 37.14 3hl9 n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hl9 s GLN 62 N -2.60 1.23 -0.28 1.20 -2.07 -1.26 -4.96 119.66 110.92 3hl9 s GLN 62 Ca 0.00 -1.32 -0.06 0.00 -1.82 0.00 0.00 55.36 52.16 3hl9 s GLN 62 Cb 0.00 -1.39 0.01 0.00 -1.09 0.00 0.00 33.01 30.54 3hl9 s GLN 62 CO 0.00 0.30 0.06 -0.48 -1.32 0.00 0.00 175.29 173.85 3hl9 s LEU 63 N -2.37 3.68 0.33 2.60 0.05 -1.26 -2.83 118.68 118.88 3hl9 s LEU 63 Ca 0.12 -0.66 -0.28 0.00 0.05 0.00 0.00 54.13 53.36 3hl9 s LEU 63 Cb -0.08 -1.85 -0.13 0.00 -2.05 0.00 0.00 46.19 42.09 3hl9 s LEU 63 CO 0.06 -0.16 1.25 -0.81 -0.55 0.00 0.00 176.35 176.14 3hl9 n PRO 64 N 4.84 2.01 -3.19 1.48 -0.04 -1.26 -4.72 135.00 134.12 3hl9 n PRO 64 Ca -0.15 0.71 -0.35 0.00 -0.04 0.00 0.00 63.50 63.67 3hl9 n PRO 64 Cb 0.48 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 3hl9 n PRO 64 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hl9 s PRO 65 N -1.82 4.08 0.65 0.54 0.04 -1.26 -1.42 135.00 135.81 3hl9 s PRO 65 Ca 0.56 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 3hl9 s PRO 65 Cb -0.59 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3hl9 s PRO 65 CO 0.62 0.34 1.04 -0.48 0.04 0.00 0.00 177.00 178.56 3hl9 s LEU 66 N -2.34 3.16 0.17 -3.56 0.05 -1.05 -4.48 118.68 110.64 3hl9 s LEU 66 Ca 0.45 1.41 -0.24 0.00 0.05 0.00 0.00 54.13 55.80 3hl9 s LEU 66 Cb -0.14 -4.40 0.06 0.00 -2.05 0.00 0.00 46.19 39.66 3hl9 s LEU 66 CO 0.20 -1.04 0.93 0.00 -0.55 0.00 0.00 176.35 175.89 3hl9 s GLN 67 N -5.18 1.28 0.63 1.48 -2.07 -1.26 -4.71 119.66 109.83 3hl9 s GLN 67 Ca 0.56 -0.71 0.42 0.00 -1.82 0.00 0.00 55.36 53.81 3hl9 s GLN 67 Cb -0.12 0.44 2.27 0.00 -1.09 0.00 0.00 33.01 34.51 3hl9 s GLN 67 CO 0.54 -0.59 2.28 -0.39 -1.32 0.00 0.00 175.29 175.81 3hl9 h VAL 68 N 2.00 0.00 -0.03 3.63 -1.51 -1.98 0.11 116.25 118.48 3hl9 h VAL 68 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 3hl9 h VAL 68 Cb 1.23 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3hl9 h VAL 68 CO 0.25 0.00 -0.05 -0.90 -1.23 0.00 0.00 177.57 175.64 3hl9 n ASP 69 N -2.98 2.74 -4.69 4.19 5.68 -1.26 -1.76 116.55 118.46 3hl9 n ASP 69 Ca -0.03 -1.89 -0.42 0.00 -0.50 0.00 0.00 54.79 51.95 3hl9 n ASP 69 Cb 0.09 0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 3hl9 n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hl9 s THR 70 N -2.05 3.76 0.07 2.12 2.01 0.39 -4.65 115.64 117.30 3hl9 s THR 70 Ca 0.28 1.17 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 3hl9 s THR 70 Cb 0.20 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.88 3hl9 s THR 70 CO 0.33 0.02 1.53 -2.84 -0.69 0.00 0.00 174.62 172.97 3hl9 s PRO 71 N 2.10 4.24 0.01 4.92 0.02 -1.26 -3.98 135.00 141.06 3hl9 s PRO 71 Ca 0.62 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.85 3hl9 s PRO 71 Cb -0.31 -3.46 -0.01 0.00 0.02 0.00 0.00 34.50 30.74 3hl9 s PRO 71 CO 0.27 -0.62 -0.04 0.00 -0.33 0.00 0.00 177.00 176.28 3hl9 s ARG 73 N -0.69 4.06 0.28 0.00 1.70 -1.26 -1.37 118.95 121.67 3hl9 s ARG 73 Ca -0.05 1.41 0.06 0.00 -0.47 0.00 0.00 55.73 56.68 3hl9 s ARG 73 Cb -0.05 -3.82 0.41 0.00 -0.57 0.00 0.00 34.95 30.92 3hl9 s ARG 73 CO -0.00 -0.93 1.67 -0.07 -1.08 0.00 0.00 175.30 174.89 3hl9 h LEU 74 N 10.35 0.27 0.00 -1.89 3.38 -1.51 -3.45 115.31 122.46 3hl9 h LEU 74 Ca -0.26 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hl9 h LEU 74 Cb 1.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hl9 h LEU 74 CO 1.01 0.68 0.00 0.00 0.09 0.00 0.00 178.44 180.22 3hl9 n ALA 75 N -2.47 0.00 0.35 1.53 0.00 -1.25 -1.03 120.51 117.63 3hl9 n ALA 75 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3hl9 n ALA 75 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.13 3hl9 n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hl9 n SER 76 N 3.26 0.00 -0.17 0.00 7.64 -1.26 -0.50 113.62 122.59 3hl9 n SER 76 Ca 0.00 0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.07 3hl9 n SER 76 Cb 0.00 -0.18 0.72 0.00 -1.01 0.00 0.00 64.21 63.74 3hl9 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hl9 n ALA 77 N -1.18 2.63 0.19 -0.43 0.00 -0.20 -3.70 120.51 117.82 3hl9 n ALA 77 Ca 0.04 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.24 3hl9 n ALA 77 Cb 0.04 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 18.51 3hl9 n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hl9 h THR 78 N 0.80 1.09 -0.74 0.00 2.02 -0.95 -3.35 112.91 111.77 3hl9 h THR 78 Ca 0.00 -1.39 0.13 0.00 0.77 0.00 0.00 66.41 65.93 3hl9 h THR 78 Cb 0.17 1.79 -0.09 0.00 -1.74 0.00 0.00 68.15 68.28 3hl9 h THR 78 CO 0.00 0.37 0.31 0.11 0.37 0.00 0.00 175.52 176.68 3hl9 h LYS 79 N 0.00 0.45 -0.50 6.66 1.57 -1.70 0.25 116.57 123.30 3hl9 h LYS 79 Ca -0.00 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3hl9 h LYS 79 Cb 0.76 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.87 3hl9 h LYS 79 CO 0.05 0.30 -0.13 1.25 -0.57 0.00 0.00 179.45 180.34 3hl9 h LEU 80 N 0.47 -0.49 -0.18 2.94 5.85 -1.82 0.18 115.31 122.26 3hl9 h LEU 80 Ca 0.40 0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.33 3hl9 h LEU 80 Cb 0.59 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3hl9 h LEU 80 CO -0.38 -0.17 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.27 3hl9 h LEU 81 N -0.01 -0.66 -0.57 2.25 3.38 -1.20 0.29 115.31 118.79 3hl9 h LEU 81 Ca 0.24 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.37 3hl9 h LEU 81 Cb 0.38 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3hl9 h LEU 81 CO -0.52 -0.26 0.31 0.74 0.09 0.00 0.00 178.44 178.80 3hl9 h THR 82 N -0.24 0.98 -0.74 0.22 2.02 -1.28 -0.15 112.91 113.72 3hl9 h THR 82 Ca 0.12 -0.20 0.08 0.00 0.77 0.00 0.00 66.41 67.17 3hl9 h THR 82 Cb 0.42 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3hl9 h THR 82 CO -0.32 0.11 0.49 0.74 0.37 0.00 0.00 175.52 176.91 3hl9 h THR 83 N 0.59 0.98 0.42 3.16 2.02 0.68 -0.71 112.91 120.06 3hl9 h THR 83 Ca 0.25 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hl9 h THR 83 Cb 0.14 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3hl9 h THR 83 CO -0.16 0.13 -0.20 0.40 0.37 0.00 0.00 175.52 176.06 3hl9 h ILE 84 N 0.72 0.55 -0.20 3.11 2.04 0.39 -2.96 117.51 121.16 3hl9 h ILE 84 Ca 0.33 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3hl9 h ILE 84 Cb 0.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3hl9 h ILE 84 CO -0.12 0.06 0.19 0.24 0.00 0.00 0.00 178.15 178.52 3hl9 h MET 85 N -0.79 0.00 -0.06 2.37 2.86 0.33 0.43 114.93 120.07 3hl9 h MET 85 Ca -0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3hl9 h MET 85 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3hl9 h MET 85 CO 0.10 0.00 -0.25 0.00 1.06 0.00 0.00 176.91 177.82 3hl9 h ALA 86 N 1.82 0.11 0.00 6.32 0.00 -1.23 -2.96 119.26 123.31 3hl9 h ALA 86 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hl9 h ALA 86 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hl9 h ALA 86 CO -0.00 0.11 -0.10 -0.07 0.00 0.00 0.00 179.25 179.19 3hl9 h LEU 87 N -0.26 0.00 -0.08 0.00 3.38 -0.87 -0.03 115.31 117.45 3hl9 h LEU 87 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hl9 h LEU 87 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hl9 h LEU 87 CO 0.05 0.10 0.02 1.56 0.09 0.00 0.00 178.44 180.26 3hl9 h GLN 88 N 0.00 0.13 -0.27 1.13 4.20 -1.02 -1.57 115.11 117.72 3hl9 h GLN 88 Ca -0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3hl9 h GLN 88 Cb 0.43 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3hl9 h GLN 88 CO 0.01 0.33 -0.07 0.00 -0.67 0.00 0.00 178.83 178.43 3hl9 h MET 90 N 0.40 0.20 0.29 0.00 1.85 -0.91 -2.23 114.93 114.54 3hl9 h MET 90 Ca 0.08 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3hl9 h MET 90 Cb 0.39 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.35 3hl9 h MET 90 CO 0.02 0.27 -0.47 0.93 -0.40 0.00 0.00 176.91 177.26 3hl9 h GLU 91 N 0.09 -0.79 0.00 0.39 5.08 -1.08 -2.92 114.58 115.34 3hl9 h GLU 91 Ca 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hl9 h GLU 91 Cb 0.14 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hl9 h GLU 91 CO -0.01 -0.53 0.00 0.54 -1.00 0.00 0.00 179.01 178.02 3hl9 n ARG 92 N -5.51 0.14 -0.06 2.33 1.74 -0.23 -4.79 116.66 110.29 3hl9 n ARG 92 Ca -0.10 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hl9 n ARG 92 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3hl9 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hl9 n GLY 93 N -0.65 0.65 0.26 -0.13 0.00 -0.95 -4.94 105.19 99.42 3hl9 n GLY 93 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3hl9 n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hl9 h LEU 94 N 0.00 0.00 0.00 0.99 3.38 -1.66 -3.46 115.31 114.57 3hl9 h LEU 94 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3hl9 h LEU 94 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3hl9 h LEU 94 CO 0.00 0.13 -0.15 1.33 0.09 0.00 0.00 178.44 179.84 3hl9 n VAL 95 N -3.56 0.00 -3.75 1.22 0.24 -1.21 -4.99 118.33 106.28 3hl9 n VAL 95 Ca -0.01 -1.17 -0.13 0.00 -2.04 0.00 0.00 64.34 60.99 3hl9 n VAL 95 Cb 0.27 0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 3hl9 n VAL 95 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hl9 s ASP 96 N -2.29 -0.35 0.36 -1.34 2.15 -1.26 -4.62 116.67 109.32 3hl9 s ASP 96 Ca 0.19 0.67 0.12 0.00 0.43 0.00 0.00 52.55 53.96 3hl9 s ASP 96 Cb 0.00 0.66 0.90 0.00 -0.30 0.00 0.00 42.92 44.18 3hl9 s ASP 96 CO 0.14 -0.13 1.81 -0.07 -0.17 0.00 0.00 175.17 176.75 3hl9 h LEU 97 N 5.96 0.61 -1.58 -1.34 3.38 -1.96 -2.08 115.31 118.30 3hl9 h LEU 97 Ca -0.29 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hl9 h LEU 97 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hl9 h LEU 97 CO 0.31 0.23 -0.13 0.47 0.09 0.00 0.00 178.44 179.40 3hl9 n ASP 98 N -4.64 2.54 -4.76 -0.43 8.00 -1.26 -1.19 116.55 114.81 3hl9 n ASP 98 Ca 0.22 -1.77 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 3hl9 n ASP 98 Cb 0.64 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 3hl9 n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3hl9 s GLU 99 N -1.96 4.24 -0.14 -1.24 2.12 -0.78 -4.88 118.70 116.05 3hl9 s GLU 99 Ca 0.23 2.37 -0.29 0.00 0.36 0.00 0.00 54.97 57.64 3hl9 s GLU 99 Cb 0.18 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 3hl9 s GLU 99 CO 0.35 -0.41 1.69 0.99 -0.54 0.00 0.00 175.26 177.34 3hl9 s THR 100 N -0.57 3.58 0.26 -1.70 2.01 -1.26 -3.99 115.64 113.97 3hl9 s THR 100 Ca 0.55 0.67 0.11 0.00 0.31 0.00 0.00 61.69 63.33 3hl9 s THR 100 Cb -0.43 -3.53 0.27 0.00 0.01 0.00 0.00 72.50 68.82 3hl9 s THR 100 CO 0.51 -0.17 1.15 0.55 -0.69 0.00 0.00 174.62 175.97 3hl9 n VAL 101 N 6.10 -0.31 0.22 3.82 3.14 0.20 -2.60 118.33 128.89 3hl9 n VAL 101 Ca 0.19 1.52 0.09 0.00 -2.96 0.00 0.00 64.34 63.18 3hl9 n VAL 101 Cb 0.44 -2.39 0.46 0.00 -1.06 0.00 0.00 33.84 31.30 3hl9 n VAL 101 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 3hl9 h ASP 102 N 0.00 0.00 0.43 6.55 3.04 -1.80 0.22 116.42 124.85 3hl9 h ASP 102 Ca 0.56 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.33 3hl9 h ASP 102 Cb 1.39 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.68 3hl9 h ASP 102 CO -0.60 0.00 -0.21 -0.09 -2.04 0.00 0.00 179.24 176.30 3hl9 h ARG 103 N 0.00 -0.55 0.00 4.15 2.43 -1.91 -3.02 114.38 115.48 3hl9 h ARG 103 Ca 0.00 0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.98 3hl9 h ARG 103 Cb 0.68 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3hl9 h ARG 103 CO 0.00 -0.35 -1.51 -0.07 -1.51 0.00 0.00 179.97 176.54 3hl9 h LEU 104 N -0.61 0.00 -5.88 3.80 -0.00 -0.96 -3.42 115.31 108.24 3hl9 h LEU 104 Ca -0.06 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.26 3hl9 h LEU 104 Cb 0.46 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 40.71 3hl9 h LEU 104 CO 0.10 0.80 -0.84 0.18 -0.00 0.00 0.00 178.44 178.67 3hl9 n LEU 105 N -3.00 2.54 -0.26 1.67 4.77 0.16 -4.90 117.00 117.98 3hl9 n LEU 105 Ca -0.12 -5.24 -0.06 0.00 -0.03 0.00 0.00 56.01 50.56 3hl9 n LEU 105 Cb 0.94 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 42.02 3hl9 n LEU 105 CO 0.44 2.18 1.09 -0.65 -1.33 0.00 0.00 177.39 179.12 3hl9 h PRO 106 N 3.61 1.02 -0.52 3.23 0.11 -1.76 -1.41 132.00 136.29 3hl9 h PRO 106 Ca 0.13 -0.13 0.11 0.00 0.11 0.00 0.00 66.00 66.23 3hl9 h PRO 106 Cb 0.73 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 3hl9 h PRO 106 CO 0.68 0.78 0.36 0.38 -0.21 0.00 0.00 178.00 179.99 3hl9 h ASP 107 N 1.00 0.18 -0.03 -2.05 2.03 -1.91 0.56 116.42 116.21 3hl9 h ASP 107 Ca 0.25 0.01 -0.22 0.00 -0.73 0.00 0.00 57.03 56.34 3hl9 h ASP 107 Cb 0.07 -0.03 0.02 0.00 -0.83 0.00 0.00 39.33 38.55 3hl9 h ASP 107 CO -0.04 0.10 -0.85 0.25 -1.03 0.00 0.00 179.24 177.68 3hl9 h LEU 108 N 0.20 0.80 -1.22 0.15 5.85 -1.69 -3.05 115.31 116.35 3hl9 h LEU 108 Ca 0.24 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hl9 h LEU 108 Cb 0.70 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hl9 h LEU 108 CO -0.04 1.41 0.00 -1.28 -0.34 0.00 0.00 178.44 178.19 3hl9 h SER 109 N 0.26 0.00 0.44 1.25 0.87 -0.50 -2.24 113.55 113.63 3hl9 h SER 109 Ca -0.10 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.28 3hl9 h SER 109 Cb 1.51 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 3hl9 h SER 109 CO 0.17 0.00 -0.78 0.00 -0.53 0.00 0.00 176.83 175.69 3hl9 h ALA 110 N 2.01 0.61 -1.76 6.23 0.00 0.05 -3.46 119.26 122.94 3hl9 h ALA 110 Ca 0.00 -0.65 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 3hl9 h ALA 110 Cb 0.58 -0.07 0.09 0.00 0.00 0.00 0.00 17.79 18.39 3hl9 h ALA 110 CO 0.00 0.83 0.14 -1.33 0.00 0.00 0.00 179.25 178.89 3hl9 n MET 111 N -3.76 1.11 -2.19 0.00 2.00 -0.85 -4.99 117.12 108.45 3hl9 n MET 111 Ca -0.04 0.39 -0.27 0.00 0.00 0.00 0.00 57.70 57.79 3hl9 n MET 111 Cb 0.74 -1.80 0.13 0.00 0.00 0.00 0.00 33.22 32.29 3hl9 n MET 111 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3hl9 s PRO 112 N -0.86 1.35 -0.15 0.03 0.04 -1.26 -4.74 135.00 129.41 3hl9 s PRO 112 Ca 0.67 -0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.08 3hl9 s PRO 112 Cb -0.81 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 3hl9 s PRO 112 CO 0.55 -1.83 0.05 0.54 0.04 0.00 0.00 177.00 176.35 3hl9 s VAL 113 N -3.51 4.71 -0.34 -0.36 0.11 0.64 -2.42 120.40 119.23 3hl9 s VAL 113 Ca 0.68 -0.07 -0.27 0.00 -2.93 0.00 0.00 61.98 59.39 3hl9 s VAL 113 Cb -0.06 -3.08 0.01 0.00 -1.53 0.00 0.00 36.38 31.72 3hl9 s VAL 113 CO 0.48 0.51 0.95 -0.22 -3.33 0.00 0.00 175.10 173.50 3hl9 s LEU 114 N -0.03 3.99 -0.12 2.54 0.20 0.18 -1.46 118.68 123.99 3hl9 s LEU 114 Ca 0.06 0.78 -0.21 0.00 0.69 0.00 0.00 54.13 55.45 3hl9 s LEU 114 Cb -0.12 -3.33 -0.27 0.00 -0.43 0.00 0.00 46.19 42.04 3hl9 s LEU 114 CO 0.01 -0.81 0.63 -0.08 -0.29 0.00 0.00 176.35 175.81 3hl9 h GLU 115 N 8.25 0.16 0.00 1.98 4.81 -1.78 -3.42 114.58 124.57 3hl9 h GLU 115 Ca -0.22 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hl9 h GLU 115 Cb 1.08 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3hl9 h GLU 115 CO 0.98 1.13 0.00 0.41 -0.73 0.00 0.00 179.01 180.80 3hl9 n GLY 116 N 1.64 -0.96 3.40 1.92 0.00 -1.20 -5.08 105.19 104.92 3hl9 n GLY 116 Ca -0.20 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 3hl9 n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hl9 s PHE 117 N -3.00 2.18 0.00 1.61 0.40 -1.26 -1.61 117.98 116.30 3hl9 s PHE 117 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3hl9 s PHE 117 Cb 0.00 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.46 3hl9 s PHE 117 CO 0.00 0.48 0.00 -0.40 0.70 0.00 0.00 175.22 176.00 3hl9 n ASP 118 N 0.20 0.00 -0.00 1.36 5.75 -1.08 -4.90 116.55 117.88 3hl9 n ASP 118 Ca -0.12 -0.17 -0.22 0.00 -0.01 0.00 0.00 54.79 54.27 3hl9 n ASP 118 Cb 0.57 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.52 3hl9 n ASP 118 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3hl9 h ASP 119 N 0.00 0.38 0.04 -1.12 3.32 -2.02 -3.04 116.42 113.97 3hl9 h ASP 119 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 3hl9 h ASP 119 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3hl9 h ASP 119 CO 0.00 1.76 0.00 0.00 -1.72 0.00 0.00 179.24 179.28 3hl9 n ALA 120 N -3.04 1.06 -0.01 3.45 0.00 -1.26 -4.85 120.51 115.86 3hl9 n ALA 120 Ca -0.30 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3hl9 n ALA 120 Cb 0.97 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3hl9 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl9 n GLY 121 N -1.33 0.87 3.53 0.00 0.00 -1.15 -5.03 105.19 102.09 3hl9 n GLY 121 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hl9 n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hl9 n ASN 122 N 0.00 0.12 -4.65 1.61 3.02 -1.26 -4.47 115.26 109.63 3hl9 n ASN 122 Ca 0.00 0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 55.05 3hl9 n ASN 122 Cb 0.00 -1.25 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 3hl9 n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hl9 n ALA 123 N -0.92 1.60 -2.67 5.41 0.00 -1.26 -2.62 120.51 120.05 3hl9 n ALA 123 Ca 0.11 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.32 3hl9 n ALA 123 Cb 0.41 -2.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.07 3hl9 n ALA 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hl9 s ARG 124 N 4.72 4.14 0.06 0.00 3.52 -0.64 -4.94 118.95 125.82 3hl9 s ARG 124 Ca 0.91 0.08 0.05 0.00 -0.13 0.00 0.00 55.73 56.63 3hl9 s ARG 124 Cb -0.43 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 3hl9 s ARG 124 CO 0.41 -0.02 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.58 3hl9 s LEU 125 N 1.26 2.25 -0.00 -0.88 2.96 -1.26 -2.40 118.68 120.61 3hl9 s LEU 125 Ca 0.16 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3hl9 s LEU 125 Cb -0.14 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.08 3hl9 s LEU 125 CO 0.07 -0.07 0.17 -0.60 -1.32 0.00 0.00 176.35 174.59 3hl9 s ARG 126 N -1.59 0.51 0.63 1.98 3.52 -0.53 -4.88 118.95 118.58 3hl9 s ARG 126 Ca -0.03 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 3hl9 s ARG 126 Cb -0.09 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.48 3hl9 s ARG 126 CO 0.02 -0.12 1.03 -1.83 -0.81 0.00 0.00 175.30 173.59 3hl9 s GLU 127 N -1.33 3.51 -0.19 5.12 -1.05 -1.26 -0.26 118.70 123.23 3hl9 s GLU 127 Ca -0.14 0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 55.18 3hl9 s GLU 127 Cb -0.07 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 3hl9 s GLU 127 CO 0.02 -0.64 1.00 0.50 0.95 0.00 0.00 175.26 177.09 3hl9 s ARG 128 N -5.12 4.30 0.08 -4.83 3.52 -1.26 -4.75 118.95 110.89 3hl9 s ARG 128 Ca 0.56 1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 57.17 3hl9 s ARG 128 Cb -0.11 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.61 3hl9 s ARG 128 CO 0.53 -0.52 1.08 1.03 -0.81 0.00 0.00 175.30 176.62 3hl9 s ARG 129 N 2.78 4.55 0.00 5.12 0.52 -1.26 -4.82 118.95 125.84 3hl9 s ARG 129 Ca 0.44 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 3hl9 s ARG 129 Cb -0.16 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 31.95 3hl9 s ARG 129 CO 0.10 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.78 3hl9 n GLY 130 N 2.70 -0.22 3.21 -3.53 0.00 -1.26 -4.35 105.19 101.73 3hl9 n GLY 130 Ca 0.06 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3hl9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hl9 s LYS 131 N -1.26 1.21 -0.07 1.61 -0.14 -1.26 -4.94 119.74 114.89 3hl9 s LYS 131 Ca 0.00 -1.64 0.01 0.00 -1.36 0.00 0.00 55.97 52.98 3hl9 s LYS 131 Cb 0.00 0.25 0.02 0.00 -1.68 0.00 0.00 37.83 36.42 3hl9 s LYS 131 CO 0.00 -0.39 -0.06 -1.50 -0.76 0.00 0.00 175.35 172.64 3hl9 s ILE 132 N -4.14 0.79 0.37 2.17 2.07 -1.26 -4.77 121.20 116.43 3hl9 s ILE 132 Ca 0.39 -0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.49 3hl9 s ILE 132 Cb 0.07 -0.81 -0.07 0.00 0.13 0.00 0.00 42.46 41.78 3hl9 s ILE 132 CO 0.12 0.30 -0.03 0.42 -1.91 0.00 0.00 174.94 173.84 3hl9 s THR 133 N 1.25 2.00 0.33 4.00 -4.23 -1.26 -0.63 115.64 117.10 3hl9 s THR 133 Ca -0.05 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3hl9 s THR 133 Cb -0.14 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.05 3hl9 s THR 133 CO -0.02 -0.10 1.85 0.25 -0.54 0.00 0.00 174.62 176.06 3hl9 h LEU 134 N 1.94 0.49 -0.74 4.79 7.12 -1.51 -1.58 115.31 125.81 3hl9 h LEU 134 Ca -0.43 -0.10 0.01 0.00 0.13 0.00 0.00 57.88 57.50 3hl9 h LEU 134 Cb 1.24 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.20 3hl9 h LEU 134 CO 0.75 0.59 0.49 -0.09 -0.13 0.00 0.00 178.44 180.04 3hl9 h ARG 135 N 0.50 0.95 -0.55 1.25 2.43 -1.48 -1.80 114.38 115.68 3hl9 h ARG 135 Ca 0.10 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3hl9 h ARG 135 Cb 0.37 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3hl9 h ARG 135 CO 0.02 0.63 0.34 0.45 -1.51 0.00 0.00 179.97 179.89 3hl9 h HIS 136 N 0.98 0.64 0.24 2.20 3.86 -1.58 -2.45 115.15 119.04 3hl9 h HIS 136 Ca 0.28 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 3hl9 h HIS 136 Cb -0.08 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.19 3hl9 h HIS 136 CO -0.03 0.37 -0.12 -0.07 0.86 0.00 0.00 177.93 178.94 3hl9 h LEU 137 N 0.67 -0.29 -2.38 2.43 3.38 -1.06 0.52 115.31 118.59 3hl9 h LEU 137 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3hl9 h LEU 137 Cb 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hl9 h LEU 137 CO -0.09 -0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 178.14 3hl9 h LEU 138 N -0.33 0.00 -2.76 1.67 3.38 -1.24 -2.17 115.31 113.86 3hl9 h LEU 138 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hl9 h LEU 138 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hl9 h LEU 138 CO 0.05 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.96 3hl9 n THR 139 N -3.36 0.97 -3.39 0.22 -2.24 -0.93 -4.04 114.28 101.50 3hl9 n THR 139 Ca -0.02 -0.98 -0.25 0.00 -2.27 0.00 0.00 64.05 60.53 3hl9 n THR 139 Cb 0.15 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3hl9 n THR 139 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hl9 n HIS 140 N 1.24 -2.10 -1.32 4.78 8.25 -0.82 -4.84 115.22 120.41 3hl9 n HIS 140 Ca 0.20 0.65 0.08 0.00 -0.26 0.00 0.00 57.72 58.38 3hl9 n HIS 140 Cb 0.55 -3.98 0.14 0.00 1.12 0.00 0.00 29.99 27.82 3hl9 n HIS 140 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hl9 n THR 141 N -4.44 1.78 0.51 1.59 -1.04 0.14 -1.45 114.28 111.37 3hl9 n THR 141 Ca -0.03 -2.32 0.09 0.00 -2.04 0.00 0.00 64.05 59.74 3hl9 n THR 141 Cb 0.57 -0.15 0.39 0.00 -1.82 0.00 0.00 70.33 69.32 3hl9 n THR 141 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hl9 n SER 142 N -1.19 0.21 -0.05 8.00 3.41 -1.12 -1.31 113.62 121.57 3hl9 n SER 142 Ca 0.15 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3hl9 n SER 142 Cb 0.67 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3hl9 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hl9 n GLY 143 N 0.16 0.48 3.45 5.00 0.00 -1.26 -3.83 105.19 109.19 3hl9 n GLY 143 Ca 0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3hl9 n GLY 143 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hl9 s LEU 144 N -0.15 2.54 0.32 0.99 0.05 -1.26 -1.55 118.68 119.61 3hl9 s LEU 144 Ca 0.00 -0.98 0.03 0.00 0.05 0.00 0.00 54.13 53.23 3hl9 s LEU 144 Cb 0.00 -1.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.00 3hl9 s LEU 144 CO 0.00 0.06 0.14 -0.55 -0.55 0.00 0.00 176.35 175.44 3hl9 s SER 145 N -3.24 1.83 0.24 1.48 0.15 -1.26 -4.31 113.70 108.58 3hl9 s SER 145 Ca 0.27 -1.54 -0.15 0.00 0.70 0.00 0.00 55.95 55.23 3hl9 s SER 145 Cb -0.06 0.33 -0.08 0.00 -1.71 0.00 0.00 66.02 64.50 3hl9 s SER 145 CO 0.13 -0.85 0.65 -0.31 1.20 0.00 0.00 173.24 174.07 3hl9 s TYR 146 N -3.51 3.50 0.07 3.44 2.02 -1.20 -3.92 117.35 117.74 3hl9 s TYR 146 Ca 0.34 1.15 -0.28 0.00 -0.37 0.00 0.00 57.07 57.90 3hl9 s TYR 146 Cb 0.05 -2.46 -0.17 0.00 -0.40 0.00 0.00 41.96 38.98 3hl9 s TYR 146 CO 0.16 0.26 1.64 0.28 -1.57 0.00 0.00 175.55 176.32 3hl9 h VAL 147 N 2.33 0.63 -0.12 0.71 2.07 -1.95 -3.02 116.25 116.90 3hl9 h VAL 147 Ca -0.48 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hl9 h VAL 147 Cb 1.18 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3hl9 h VAL 147 CO 0.66 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.75 3hl9 n PHE 148 N -5.30 0.28 -0.04 1.57 3.72 -1.26 -3.23 117.46 113.20 3hl9 n PHE 148 Ca -0.11 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3hl9 n PHE 148 Cb 0.23 -0.08 -0.11 0.00 -0.94 0.00 0.00 39.48 38.58 3hl9 n PHE 148 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hl9 n LEU 149 N -0.00 0.00 -4.51 4.37 4.77 -1.14 -4.99 117.00 115.49 3hl9 n LEU 149 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 3hl9 n LEU 149 Cb 0.26 0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3hl9 n LEU 149 CO 0.04 0.16 -0.37 -2.28 -1.33 0.00 0.00 177.39 173.61 3hl9 s HIS 150 N -2.66 2.97 0.49 -1.77 2.46 -1.20 -5.02 115.29 110.56 3hl9 s HIS 150 Ca -0.06 -0.22 0.15 0.00 0.47 0.00 0.00 55.06 55.40 3hl9 s HIS 150 Cb 0.07 -1.85 1.15 0.00 -0.13 0.00 0.00 32.58 31.81 3hl9 s HIS 150 CO 0.56 0.08 2.08 -1.35 -2.47 0.00 0.00 174.74 173.65 3hl9 h PRO 151 N 6.14 0.01 0.30 2.88 0.11 -1.94 -0.73 132.00 138.77 3hl9 h PRO 151 Ca -0.37 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3hl9 h PRO 151 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hl9 h PRO 151 CO 0.58 0.08 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.24 3hl9 h LEU 152 N 0.01 -0.34 -1.25 2.35 3.38 -1.95 -3.05 115.31 114.46 3hl9 h LEU 152 Ca 0.00 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 57.95 3hl9 h LEU 152 Cb 0.14 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3hl9 h LEU 152 CO 0.01 0.13 0.58 -0.07 0.09 0.00 0.00 178.44 179.18 3hl9 h LEU 153 N -0.97 0.68 -0.69 1.67 3.38 -1.77 0.14 115.31 117.75 3hl9 h LEU 153 Ca -0.04 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3hl9 h LEU 153 Cb 0.49 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 3hl9 h LEU 153 CO 0.07 0.34 -0.33 0.03 0.09 0.00 0.00 178.44 178.64 3hl9 h ARG 154 N 0.72 -0.11 0.04 1.13 2.47 -1.12 0.31 114.38 117.82 3hl9 h ARG 154 Ca 0.46 0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.94 3hl9 h ARG 154 Cb 0.72 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.07 3hl9 h ARG 154 CO -0.22 -0.07 -1.05 1.49 0.56 0.00 0.00 179.97 180.68 3hl9 h GLU 155 N -0.11 0.42 -0.80 0.04 4.81 -0.71 -0.41 114.58 117.80 3hl9 h GLU 155 Ca 0.27 -0.51 0.16 0.00 -0.13 0.00 0.00 59.36 59.16 3hl9 h GLU 155 Cb 0.56 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.00 3hl9 h GLU 155 CO -0.76 1.17 0.33 -0.92 -0.73 0.00 0.00 179.01 178.11 3hl9 h TYR 156 N 0.21 0.56 -0.39 0.92 3.20 -0.51 0.54 116.97 121.50 3hl9 h TYR 156 Ca -0.11 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 3hl9 h TYR 156 Cb 1.71 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 3hl9 h TYR 156 CO 0.07 0.04 0.04 1.98 -1.64 0.00 0.00 178.16 178.64 3hl9 h MET 157 N 0.44 0.66 -0.51 1.82 4.05 -0.26 -2.39 114.93 118.74 3hl9 h MET 157 Ca 0.46 -0.19 0.08 0.00 -0.28 0.00 0.00 59.70 59.77 3hl9 h MET 157 Cb 0.75 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 3hl9 h MET 157 CO -0.44 0.73 0.13 0.00 0.23 0.00 0.00 176.91 177.56 3hl9 h ALA 158 N 0.90 0.59 -0.40 0.39 0.00 0.98 -2.39 119.26 119.33 3hl9 h ALA 158 Ca 0.11 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hl9 h ALA 158 Cb 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hl9 h ALA 158 CO 0.01 -0.28 -0.04 1.96 0.00 0.00 0.00 179.25 180.90 3hl9 h GLN 159 N 0.28 0.66 -0.22 0.00 1.08 -0.01 -3.47 115.11 113.43 3hl9 h GLN 159 Ca 0.25 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3hl9 h GLN 159 Cb 0.33 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3hl9 h GLN 159 CO -0.31 0.71 0.00 0.41 -0.95 0.00 0.00 178.83 178.69 3hl9 n GLY 160 N -0.66 1.04 0.00 3.46 0.00 -0.90 -4.99 105.19 103.14 3hl9 n GLY 160 Ca 0.02 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3hl9 n GLY 160 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hl9 n HIS 161 N -0.70 0.00 1.08 1.61 8.25 -1.01 -3.36 115.22 121.09 3hl9 n HIS 161 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3hl9 n HIS 161 Cb 0.12 -0.42 0.38 0.00 1.12 0.00 0.00 29.99 31.19 3hl9 n HIS 161 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hl9 n LEU 162 N -1.48 0.47 -0.24 2.41 4.77 -1.26 -4.06 117.00 117.61 3hl9 n LEU 162 Ca 0.07 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 3hl9 n LEU 162 Cb 0.34 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 3hl9 n LEU 162 CO 0.29 0.10 1.07 1.56 -1.33 0.00 0.00 177.39 179.08 3hl9 h GLN 163 N 0.22 1.06 0.00 3.23 4.20 -1.95 -3.21 115.11 118.66 3hl9 h GLN 163 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3hl9 h GLN 163 Cb 0.48 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3hl9 h GLN 163 CO 0.00 0.85 0.00 0.77 -0.67 0.00 0.00 178.83 179.78 3hl9 h SER 164 N 1.04 0.00 -0.98 1.46 0.02 -1.81 -3.17 113.55 110.12 3hl9 h SER 164 Ca 0.24 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.40 3hl9 h SER 164 Cb 0.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.62 3hl9 h SER 164 CO -0.02 0.00 0.62 0.00 -1.14 0.00 0.00 176.83 176.28 3hl9 h ALA 165 N 2.16 1.90 -0.97 3.77 0.00 -1.83 -1.55 119.26 122.74 3hl9 h ALA 165 Ca 0.00 0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.20 3hl9 h ALA 165 Cb 0.32 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.93 3hl9 h ALA 165 CO 0.00 -0.25 0.53 0.93 0.00 0.00 0.00 179.25 180.47 3hl9 h GLU 166 N 0.62 0.50 -0.07 0.00 5.08 -1.75 -1.45 114.58 117.52 3hl9 h GLU 166 Ca 0.54 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.85 3hl9 h GLU 166 Cb 1.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3hl9 h GLU 166 CO -0.30 0.33 -0.08 0.87 -1.00 0.00 0.00 179.01 178.84 3hl9 h LYS 167 N 0.52 0.09 -0.43 2.33 1.57 -1.55 -2.39 116.57 116.71 3hl9 h LYS 167 Ca 0.62 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3hl9 h LYS 167 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3hl9 h LYS 167 CO -0.49 0.18 0.00 1.19 -0.57 0.00 0.00 179.45 179.75 3hl9 n PHE 168 N -4.39 0.86 -2.11 -1.35 3.72 -0.64 -4.96 117.46 108.59 3hl9 n PHE 168 Ca -0.02 -0.61 -0.19 0.00 -0.05 0.00 0.00 57.45 56.58 3hl9 n PHE 168 Cb 0.18 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 3hl9 n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hl9 n GLY 169 N 0.52 0.27 3.69 1.37 0.00 -0.90 -4.96 105.19 105.18 3hl9 n GLY 169 Ca 0.18 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3hl9 n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 170 N -2.87 4.99 0.37 -0.61 1.01 -0.65 -5.00 121.20 118.44 3hl9 s ILE 170 Ca 0.00 1.45 -0.28 0.00 0.00 0.00 0.00 60.65 61.82 3hl9 s ILE 170 Cb 0.00 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3hl9 s ILE 170 CO 0.00 0.16 1.40 0.00 0.00 0.00 0.00 174.94 176.50 3hl9 n GLN 171 N 4.46 2.43 -0.19 2.79 1.13 -1.26 -4.37 117.38 122.37 3hl9 n GLN 171 Ca 0.00 0.85 -0.00 0.00 -1.94 0.00 0.00 57.00 55.91 3hl9 n GLN 171 Cb 0.50 -2.53 0.08 0.00 0.11 0.00 0.00 30.24 28.40 3hl9 n GLN 171 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hl9 h SER 172 N 2.74 -0.31 0.50 1.08 0.87 -1.96 -2.09 113.55 114.37 3hl9 h SER 172 Ca -0.49 0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 3hl9 h SER 172 Cb 1.26 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3hl9 h SER 172 CO 0.63 -0.12 -0.36 -0.09 -0.53 0.00 0.00 176.83 176.37 3hl9 h ARG 173 N 0.09 0.00 0.00 2.24 2.43 -2.02 -2.64 114.38 114.49 3hl9 h ARG 173 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3hl9 h ARG 173 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3hl9 h ARG 173 CO -0.51 0.36 -0.34 1.28 -1.51 0.00 0.00 179.97 179.24 3hl9 n LEU 174 N -3.87 0.36 -0.15 3.80 4.32 -0.84 -4.43 117.00 116.20 3hl9 n LEU 174 Ca -0.01 0.19 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 3hl9 n LEU 174 Cb 0.42 -0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 41.89 3hl9 n LEU 174 CO 0.37 0.07 0.79 0.00 -1.22 0.00 0.00 177.39 177.39 3hl9 h ALA 175 N 2.96 0.60 -2.98 -1.18 0.00 -1.03 -3.46 119.26 114.16 3hl9 h ALA 175 Ca 0.00 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 3hl9 h ALA 175 Cb 0.52 -0.16 0.13 0.00 0.00 0.00 0.00 17.79 18.28 3hl9 h ALA 175 CO 0.00 0.41 0.55 -1.25 0.00 0.00 0.00 179.25 178.96 3hl9 s PRO 176 N -4.98 3.01 0.71 0.00 0.04 -1.26 -4.98 135.00 127.53 3hl9 s PRO 176 Ca -0.13 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 3hl9 s PRO 176 Cb 0.11 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3hl9 s PRO 176 CO 0.81 -1.24 1.07 -2.14 0.04 0.00 0.00 177.00 175.53 3hl9 s PRO 177 N -3.08 2.84 0.76 0.56 0.02 -1.26 -5.03 135.00 129.81 3hl9 s PRO 177 Ca 0.75 0.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.49 3hl9 s PRO 177 Cb -0.37 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.21 3hl9 s PRO 177 CO 0.42 -1.14 1.10 0.00 -0.33 0.00 0.00 177.00 177.06 3hl9 s ALA 178 N -3.10 2.24 -0.11 -1.55 0.00 -1.01 -4.69 121.76 113.53 3hl9 s ALA 178 Ca 0.58 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3hl9 s ALA 178 Cb -0.14 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3hl9 s ALA 178 CO 0.55 -1.74 1.03 1.33 0.00 0.00 0.00 175.76 176.92 3hl9 n VAL 179 N -3.32 0.99 -3.89 0.00 0.24 -0.93 0.50 118.33 111.93 3hl9 n VAL 179 Ca 0.10 -1.00 -0.02 0.00 -2.04 0.00 0.00 64.34 61.38 3hl9 n VAL 179 Cb 0.53 0.50 0.02 0.00 -1.47 0.00 0.00 33.84 33.41 3hl9 n VAL 179 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hl9 s ASN 180 N -1.00 -0.00 0.44 -1.34 3.84 -0.60 -4.87 114.94 111.41 3hl9 s ASN 180 Ca 0.03 -0.58 -0.08 0.00 0.21 0.00 0.00 52.86 52.44 3hl9 s ASN 180 Cb 0.01 0.44 -0.05 0.00 -0.55 0.00 0.00 41.25 41.10 3hl9 s ASN 180 CO 0.02 -0.87 0.77 -1.81 -2.79 0.00 0.00 177.10 172.42 3hl9 s ASP 181 N -3.44 6.39 0.47 -4.21 1.01 -1.26 -4.64 116.67 110.99 3hl9 s ASP 181 Ca 0.22 1.02 -0.24 0.00 0.71 0.00 0.00 52.55 54.26 3hl9 s ASP 181 Cb -0.02 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 3hl9 s ASP 181 CO 0.04 -0.48 1.38 -2.84 0.21 0.00 0.00 175.17 173.48 3hl9 s PRO 182 N -4.27 3.55 0.00 8.23 0.02 -1.25 -2.63 135.00 138.66 3hl9 s PRO 182 Ca 0.49 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3hl9 s PRO 182 Cb -0.10 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3hl9 s PRO 182 CO 0.38 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3hl9 n GLY 183 N 0.63 0.82 0.05 0.52 0.00 -0.42 -4.90 105.19 101.88 3hl9 n GLY 183 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3hl9 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hl9 h ALA 184 N 0.00 0.00 -2.16 4.61 0.00 -1.74 -3.49 119.26 116.48 3hl9 h ALA 184 Ca 0.00 -0.24 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 3hl9 h ALA 184 Cb 0.02 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 3hl9 h ALA 184 CO 0.00 0.22 -0.72 -1.21 0.00 0.00 0.00 179.25 177.54 3hl9 s GLU 185 N -1.77 1.51 -0.15 0.00 2.02 -1.26 -4.88 118.70 114.16 3hl9 s GLU 185 Ca -0.06 -1.71 -0.23 0.00 0.02 0.00 0.00 54.97 52.99 3hl9 s GLU 185 Cb 0.01 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 3hl9 s GLU 185 CO 0.10 0.18 0.72 -0.46 0.02 0.00 0.00 175.26 175.82 3hl9 s TRP 186 N -2.84 3.44 -0.16 1.61 -0.00 -1.26 -4.43 118.94 115.31 3hl9 s TRP 186 Ca 0.27 1.13 -0.04 0.00 -0.00 0.00 0.00 56.10 57.46 3hl9 s TRP 186 Cb -0.00 -2.88 0.07 0.00 -0.00 0.00 0.00 33.47 30.66 3hl9 s TRP 186 CO 0.11 -0.13 0.20 0.42 -0.00 0.00 0.00 176.95 177.54 3hl9 s ILE 187 N 1.72 -0.30 0.05 5.86 1.01 -0.53 -4.94 121.20 124.08 3hl9 s ILE 187 Ca 0.34 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 3hl9 s ILE 187 Cb -0.17 -0.54 -0.09 0.00 0.01 0.00 0.00 42.46 41.68 3hl9 s ILE 187 CO 0.13 -0.08 1.96 0.00 0.00 0.00 0.00 174.94 176.96 3hl9 n TYR 188 N 5.32 2.53 -4.03 3.97 9.36 -1.26 -4.69 117.16 128.36 3hl9 n TYR 188 Ca -0.05 -0.36 -0.13 0.00 3.32 0.00 0.00 57.90 60.67 3hl9 n TYR 188 Cb 0.50 -2.80 -0.03 0.00 -0.63 0.00 0.00 39.34 36.38 3hl9 n TYR 188 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3hl9 s GLY 189 N 4.28 1.23 0.00 2.98 0.00 -1.26 -3.25 107.32 111.30 3hl9 s GLY 189 Ca 0.88 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 44.27 3hl9 s GLY 189 CO 0.42 -0.85 0.58 0.00 0.00 0.00 0.00 173.10 173.24 3hl9 n ALA 190 N -0.55 2.04 1.13 3.20 0.00 -1.25 -4.17 120.51 120.92 3hl9 n ALA 190 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hl9 n ALA 190 Cb 0.61 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3hl9 n ALA 190 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hl9 n ASN 191 N -0.52 0.24 -0.17 0.00 2.04 -1.26 -1.66 115.26 113.93 3hl9 n ASN 191 Ca 0.01 -1.37 0.06 0.00 -0.44 0.00 0.00 54.58 52.83 3hl9 n ASN 191 Cb 0.00 -0.12 -0.03 0.00 -2.53 0.00 0.00 39.78 37.10 3hl9 n ASN 191 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3hl9 n LEU 192 N -0.27 1.05 0.02 -4.53 -0.00 -1.26 -3.61 117.00 108.41 3hl9 n LEU 192 Ca 0.00 -0.66 -0.12 0.00 -0.00 0.00 0.00 56.01 55.23 3hl9 n LEU 192 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.34 3hl9 n LEU 192 CO 0.00 0.22 -0.39 0.44 -0.00 0.00 0.00 177.39 177.66 3hl9 h ASP 193 N 0.84 0.14 -0.26 1.96 5.19 -1.41 -2.70 116.42 120.19 3hl9 h ASP 193 Ca 0.00 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.15 3hl9 h ASP 193 Cb 0.36 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3hl9 h ASP 193 CO 0.00 1.21 0.06 -0.50 -3.12 0.00 0.00 179.24 176.89 3hl9 h TRP 194 N 0.02 0.44 -0.71 4.55 4.06 -1.76 -0.65 115.95 121.90 3hl9 h TRP 194 Ca -0.24 -0.05 0.15 0.00 2.06 0.00 0.00 58.89 60.81 3hl9 h TRP 194 Cb 1.97 -0.12 -0.11 0.00 -1.00 0.00 0.00 29.16 29.90 3hl9 h TRP 194 CO 0.02 0.50 0.14 0.00 -3.56 0.00 0.00 178.44 175.55 3hl9 h ALA 195 N 0.88 0.89 -0.42 1.49 0.00 -1.64 0.25 119.26 120.71 3hl9 h ALA 195 Ca 0.08 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3hl9 h ALA 195 Cb 0.29 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3hl9 h ALA 195 CO 0.00 -0.35 0.15 0.78 0.00 0.00 0.00 179.25 179.83 3hl9 h GLY 196 N 0.24 0.54 0.91 0.00 0.00 -1.11 -2.87 103.07 100.78 3hl9 h GLY 196 Ca 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3hl9 h GLY 196 CO -0.51 0.02 -0.26 0.50 0.00 0.00 0.00 176.54 176.29 3hl9 h LYS 197 N 0.31 -0.64 -0.89 4.80 1.79 0.58 -2.58 116.57 119.94 3hl9 h LYS 197 Ca 0.19 0.04 0.22 0.00 -2.18 0.00 0.00 60.65 58.93 3hl9 h LYS 197 Cb 0.18 0.15 -0.16 0.00 -1.58 0.00 0.00 32.23 30.82 3hl9 h LYS 197 CO -0.20 -0.43 -0.01 1.25 -1.08 0.00 0.00 179.45 178.98 3hl9 h LEU 198 N -0.67 -0.46 0.13 2.94 6.46 -0.44 0.31 115.31 123.58 3hl9 h LEU 198 Ca -0.05 0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3hl9 h LEU 198 Cb 0.54 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 3hl9 h LEU 198 CO 0.07 -0.27 -0.06 0.58 -0.62 0.00 0.00 178.44 178.13 3hl9 h VAL 199 N 0.06 0.91 -0.87 1.05 2.07 -1.42 0.29 116.25 118.34 3hl9 h VAL 199 Ca 0.50 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 68.03 3hl9 h VAL 199 Cb 0.95 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3hl9 h VAL 199 CO -0.82 0.04 0.58 -0.33 0.02 0.00 0.00 177.57 177.06 3hl9 h GLU 200 N -0.26 0.43 0.15 1.57 5.08 -0.05 0.07 114.58 121.57 3hl9 h GLU 200 Ca -0.02 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 3hl9 h GLU 200 Cb 0.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hl9 h GLU 200 CO 0.03 0.28 -1.70 0.00 -1.00 0.00 0.00 179.01 176.62 3hl9 h ARG 201 N 0.44 0.33 -0.07 2.33 2.47 -0.85 -1.68 114.38 117.35 3hl9 h ARG 201 Ca 0.45 -0.56 -0.09 0.00 -1.26 0.00 0.00 59.98 58.52 3hl9 h ARG 201 Cb 1.06 0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 3hl9 h ARG 201 CO -0.17 1.22 -0.38 0.00 0.56 0.00 0.00 179.97 181.19 3hl9 h ALA 202 N 0.26 1.23 -0.22 0.04 0.00 -0.43 -3.23 119.26 116.92 3hl9 h ALA 202 Ca -0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hl9 h ALA 202 Cb 2.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3hl9 h ALA 202 CO 0.16 0.54 0.00 0.25 0.00 0.00 0.00 179.25 180.20 3hl9 n THR 203 N -4.06 0.56 -2.26 0.00 -2.24 -0.04 -4.98 114.28 101.27 3hl9 n THR 203 Ca -0.02 -0.78 -0.06 0.00 -2.27 0.00 0.00 64.05 60.92 3hl9 n THR 203 Cb 0.44 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 3hl9 n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hl9 n GLY 204 N 0.63 -0.32 3.16 3.38 0.00 -0.67 -4.93 105.19 106.44 3hl9 n GLY 204 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3hl9 n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 205 N -4.90 2.09 0.62 0.99 1.43 -0.97 -5.03 118.68 112.92 3hl9 s LEU 205 Ca 0.00 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 3hl9 s LEU 205 Cb 0.00 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 3hl9 s LEU 205 CO 0.00 0.14 1.07 1.51 0.23 0.00 0.00 176.35 179.30 3hl9 s ASP 206 N -0.73 5.55 0.00 2.29 -4.77 -1.26 -4.03 116.67 113.72 3hl9 s ASP 206 Ca 0.05 1.85 0.27 0.00 -3.30 0.00 0.00 52.55 51.42 3hl9 s ASP 206 Cb -0.07 -2.54 1.42 0.00 -1.09 0.00 0.00 42.92 40.64 3hl9 s ASP 206 CO 0.00 -1.33 1.93 0.00 0.70 0.00 0.00 175.17 176.48 3hl9 n LEU 207 N -2.23 0.00 -0.03 2.11 -0.00 -1.26 -2.17 117.00 113.42 3hl9 n LEU 207 Ca 0.09 0.22 -0.13 0.00 -0.00 0.00 0.00 56.01 56.19 3hl9 n LEU 207 Cb 0.53 -0.22 -0.09 0.00 -0.00 0.00 0.00 43.42 43.63 3hl9 n LEU 207 CO 0.48 -0.03 0.61 -0.08 -0.00 0.00 0.00 177.39 178.38 3hl9 h GLU 208 N 0.00 0.09 0.00 1.47 4.57 -1.91 -1.42 114.58 117.38 3hl9 h GLU 208 Ca 0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hl9 h GLU 208 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3hl9 h GLU 208 CO 0.00 0.58 -0.00 0.37 -1.18 0.00 0.00 179.01 178.77 3hl9 h GLN 209 N -0.39 -0.01 -0.63 1.92 4.15 -1.84 -2.92 115.11 115.39 3hl9 h GLN 209 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.49 3hl9 h GLN 209 Cb 0.56 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 3hl9 h GLN 209 CO 0.01 0.07 0.42 -0.92 -1.93 0.00 0.00 178.83 176.48 3hl9 h TYR 210 N -0.08 0.62 -0.12 3.99 5.03 -1.51 -2.02 116.97 122.87 3hl9 h TYR 210 Ca -0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 3hl9 h TYR 210 Cb 0.08 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 3hl9 h TYR 210 CO -0.05 0.33 0.03 1.25 -1.32 0.00 0.00 178.16 178.39 3hl9 h LEU 211 N 0.61 0.19 -0.72 2.82 5.85 -1.11 -1.06 115.31 121.88 3hl9 h LEU 211 Ca 0.27 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3hl9 h LEU 211 Cb 0.29 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hl9 h LEU 211 CO -0.08 0.38 0.14 1.56 -0.34 0.00 0.00 178.44 180.10 3hl9 h GLN 212 N -0.01 1.12 -0.27 1.25 1.08 -1.29 -1.79 115.11 115.18 3hl9 h GLN 212 Ca 0.04 -0.28 -0.16 0.00 -1.45 0.00 0.00 58.65 56.80 3hl9 h GLN 212 Cb 0.27 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3hl9 h GLN 212 CO 0.00 1.00 -0.45 0.93 -0.95 0.00 0.00 178.83 179.36 3hl9 h GLU 213 N 1.05 0.79 -0.01 1.46 5.08 -1.28 0.61 114.58 122.28 3hl9 h GLU 213 Ca 0.21 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hl9 h GLU 213 Cb 0.40 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hl9 h GLU 213 CO 0.01 1.11 -0.07 0.09 -1.00 0.00 0.00 179.01 179.15 3hl9 n ASN 214 N -4.12 1.84 0.02 1.42 3.02 -0.41 -4.53 115.26 112.50 3hl9 n ASN 214 Ca -0.05 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 3hl9 n ASN 214 Cb 0.57 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 3hl9 n ASN 214 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hl9 n ILE 215 N 0.44 0.02 0.19 2.41 5.41 -0.73 -4.84 119.36 122.26 3hl9 n ILE 215 Ca 0.07 0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 3hl9 n ILE 215 Cb 0.29 -0.66 -0.07 0.00 -0.71 0.00 0.00 39.64 38.49 3hl9 n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hl9 h ALA 217 N -0.50 -0.54 -1.02 0.00 0.00 -1.11 0.11 119.26 116.20 3hl9 h ALA 217 Ca -0.05 0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.12 3hl9 h ALA 217 Cb 0.54 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 3hl9 h ALA 217 CO 0.08 -0.91 0.65 -1.35 0.00 0.00 0.00 179.25 177.73 3hl9 h PRO 218 N -0.44 0.42 -0.56 0.00 0.11 -1.80 -0.42 132.00 129.32 3hl9 h PRO 218 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3hl9 h PRO 218 Cb 0.61 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3hl9 h PRO 218 CO -0.45 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 178.90 3hl9 n LEU 219 N -4.63 3.55 -3.45 2.35 4.77 -0.93 -4.99 117.00 113.67 3hl9 n LEU 219 Ca 0.24 -1.89 -0.20 0.00 -0.03 0.00 0.00 56.01 54.13 3hl9 n LEU 219 Cb 0.83 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3hl9 n LEU 219 CO 0.25 0.87 0.03 0.61 -1.33 0.00 0.00 177.39 177.82 3hl9 n GLY 220 N 1.29 -1.13 3.66 -0.72 0.00 -0.13 -5.01 105.19 103.16 3hl9 n GLY 220 Ca 0.20 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.39 3hl9 n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 221 N -3.29 4.13 0.00 -0.61 1.01 0.20 -5.01 121.20 117.62 3hl9 s ILE 221 Ca 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3hl9 s ILE 221 Cb -0.09 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3hl9 s ILE 221 CO 0.81 0.49 0.20 0.35 0.00 0.00 0.00 174.94 176.79 3hl9 n THR 222 N 1.78 0.00 -0.80 2.92 -2.24 -1.26 -4.55 114.28 110.12 3hl9 n THR 222 Ca -0.16 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 3hl9 n THR 222 Cb 0.53 1.30 0.26 0.00 -2.10 0.00 0.00 70.33 70.33 3hl9 n THR 222 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hl9 n ASP 223 N -0.17 3.99 -4.64 3.42 5.68 -1.26 -4.93 116.55 118.63 3hl9 n ASP 223 Ca 0.00 -2.77 -0.37 0.00 -0.50 0.00 0.00 54.79 51.15 3hl9 n ASP 223 Cb 0.08 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.45 3hl9 n ASP 223 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3hl9 s MET 224 N -2.40 4.05 -0.07 0.11 1.75 -1.26 -3.38 119.30 118.09 3hl9 s MET 224 Ca 0.41 -0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.30 3hl9 s MET 224 Cb 0.31 -3.57 0.09 0.00 2.84 0.00 0.00 34.83 34.50 3hl9 s MET 224 CO 0.12 -0.01 0.81 -0.08 -0.65 0.00 0.00 175.02 175.21 3hl9 s THR 225 N 1.27 0.00 -0.05 10.11 -1.32 -0.68 -4.94 115.64 120.03 3hl9 s THR 225 Ca 0.08 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.41 3hl9 s THR 225 Cb -0.14 -1.00 -0.31 0.00 -1.51 0.00 0.00 72.50 69.54 3hl9 s THR 225 CO 0.06 0.00 0.74 -0.26 -2.21 0.00 0.00 174.62 172.95 3hl9 h PHE 226 N 2.66 0.69 -3.11 9.09 0.04 -1.85 -0.97 116.94 123.51 3hl9 h PHE 226 Ca -0.24 -0.50 -0.78 0.00 2.80 0.00 0.00 57.97 59.25 3hl9 h PHE 226 Cb 1.17 -0.03 -0.24 0.00 2.20 0.00 0.00 35.95 39.05 3hl9 h PHE 226 CO 0.32 1.58 0.74 0.15 -0.60 0.00 0.00 178.31 180.50 3hl9 s LYS 227 N -2.54 4.15 0.09 1.51 -0.14 -1.26 -4.79 119.74 116.76 3hl9 s LYS 227 Ca -0.15 -2.98 -0.09 0.00 -1.36 0.00 0.00 55.97 51.39 3hl9 s LYS 227 Cb 0.04 -4.72 -0.19 0.00 -1.68 0.00 0.00 37.83 31.28 3hl9 s LYS 227 CO 0.85 -1.42 1.21 1.25 -0.76 0.00 0.00 175.35 176.48 3hl9 h LEU 228 N 7.73 0.71 -1.60 3.17 7.12 -1.97 -3.02 115.31 127.45 3hl9 h LEU 228 Ca 0.22 -0.60 0.06 0.00 0.13 0.00 0.00 57.88 57.69 3hl9 h LEU 228 Cb 0.88 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 3hl9 h LEU 228 CO 1.08 1.41 0.55 0.06 -0.13 0.00 0.00 178.44 181.42 3hl9 h GLN 229 N 0.27 0.00 -0.73 1.25 -0.00 -1.99 0.24 115.11 114.15 3hl9 h GLN 229 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.48 3hl9 h GLN 229 Cb 1.73 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.18 3hl9 h GLN 229 CO 0.20 0.00 0.06 1.04 -0.00 0.00 0.00 178.83 180.13 3hl9 n GLN 230 N -3.11 3.63 -3.38 0.06 6.02 -1.14 -4.67 117.38 114.80 3hl9 n GLN 230 Ca 0.03 -2.30 -0.26 0.00 -0.01 0.00 0.00 57.00 54.46 3hl9 n GLN 230 Cb 0.65 -2.04 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 3hl9 n GLN 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hl9 n ARG 231 N 0.31 0.50 -0.17 -1.09 5.12 0.84 -5.00 116.66 117.17 3hl9 n ARG 231 Ca 0.23 -3.32 -0.02 0.00 -1.93 0.00 0.00 57.85 52.81 3hl9 n ARG 231 Cb 1.00 -1.61 0.07 0.00 -1.16 0.00 0.00 32.46 30.76 3hl9 n ARG 231 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3hl9 h PRO 232 N 5.16 0.38 -0.96 5.56 0.13 -1.83 0.49 132.00 140.92 3hl9 h PRO 232 Ca 0.21 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.47 3hl9 h PRO 232 Cb 0.88 -0.08 -0.16 0.00 0.13 0.00 0.00 31.00 31.77 3hl9 h PRO 232 CO 0.43 0.25 -0.34 -0.40 -0.23 0.00 0.00 178.00 177.70 3hl9 n ASP 233 N -4.99 -0.56 -0.04 1.44 5.68 -1.26 -2.31 116.55 114.51 3hl9 n ASP 233 Ca 0.06 1.67 0.02 0.00 -0.50 0.00 0.00 54.79 56.04 3hl9 n ASP 233 Cb 0.21 -0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 39.62 3hl9 n ASP 233 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3hl9 n MET 234 N -5.45 0.67 -0.24 0.11 0.00 -0.72 -4.30 117.12 107.20 3hl9 n MET 234 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 57.70 57.72 3hl9 n MET 234 Cb 0.41 -1.54 0.13 0.00 0.00 0.00 0.00 33.22 32.22 3hl9 n MET 234 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3hl9 h LEU 235 N 0.00 0.44 -1.84 3.17 6.46 0.18 -2.07 115.31 121.64 3hl9 h LEU 235 Ca -0.23 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 3hl9 h LEU 235 Cb 1.54 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.44 3hl9 h LEU 235 CO 0.01 0.26 0.14 0.00 -0.62 0.00 0.00 178.44 178.23 3hl9 h ALA 236 N 1.42 1.93 -0.54 1.25 0.00 -1.65 -2.86 119.26 118.81 3hl9 h ALA 236 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hl9 h ALA 236 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hl9 h ALA 236 CO -0.26 0.05 0.00 2.89 0.00 0.00 0.00 179.25 181.93 3hl9 n ARG 237 N -4.50 3.23 -0.91 0.00 1.85 -0.82 -5.02 116.66 110.49 3hl9 n ARG 237 Ca 0.01 -2.63 -0.31 0.00 -1.00 0.00 0.00 57.85 53.92 3hl9 n ARG 237 Cb 0.12 -1.67 0.15 0.00 -1.05 0.00 0.00 32.46 30.02 3hl9 n ARG 237 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3hl9 s ARG 238 N -1.60 1.25 -0.10 2.89 1.70 -0.98 -4.33 118.95 117.79 3hl9 s ARG 238 Ca 0.42 1.30 -0.27 0.00 -0.47 0.00 0.00 55.73 56.71 3hl9 s ARG 238 Cb 0.26 -1.77 -0.02 0.00 -0.57 0.00 0.00 34.95 32.85 3hl9 s ARG 238 CO 0.22 -2.39 0.88 0.00 -1.08 0.00 0.00 175.30 172.93 3hl9 s ALA 239 N -2.74 3.38 0.42 7.88 0.00 0.50 -4.91 121.76 126.27 3hl9 s ALA 239 Ca 0.65 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 3hl9 s ALA 239 Cb -0.21 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3hl9 s ALA 239 CO 0.58 -0.44 1.03 -0.51 0.00 0.00 0.00 175.76 176.42 3hl9 s ASP 240 N 1.04 6.72 0.40 0.00 1.01 -1.19 -4.84 116.67 119.81 3hl9 s ASP 240 Ca 0.43 1.97 -0.25 0.00 0.71 0.00 0.00 52.55 55.42 3hl9 s ASP 240 Cb -0.18 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 3hl9 s ASP 240 CO 0.18 -0.52 1.13 -1.10 0.21 0.00 0.00 175.17 175.08 3hl9 s GLN 241 N -2.70 4.06 0.01 8.23 -1.52 -1.26 -4.61 119.66 121.87 3hl9 s GLN 241 Ca 0.60 1.74 0.08 0.00 -1.95 0.00 0.00 55.36 55.83 3hl9 s GLN 241 Cb -0.19 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 3hl9 s GLN 241 CO 0.24 -0.28 -0.26 0.99 -0.25 0.00 0.00 175.29 175.73 3hl9 s THR 242 N -1.49 2.14 -0.03 -0.19 2.01 -0.98 -1.87 115.64 115.23 3hl9 s THR 242 Ca 0.58 -1.22 0.04 0.00 0.31 0.00 0.00 61.69 61.39 3hl9 s THR 242 Cb -0.28 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 3hl9 s THR 242 CO 0.35 0.48 -0.15 -2.28 -0.69 0.00 0.00 174.62 172.33 3hl9 s HIS 243 N -0.71 1.46 -0.07 4.92 2.46 -0.61 -0.06 115.29 122.68 3hl9 s HIS 243 Ca 0.11 -0.37 -0.12 0.00 0.47 0.00 0.00 55.06 55.15 3hl9 s HIS 243 Cb -0.10 -0.98 -0.05 0.00 -0.13 0.00 0.00 32.58 31.32 3hl9 s HIS 243 CO 0.01 -0.11 0.29 0.50 -2.47 0.00 0.00 174.74 172.96 3hl9 s ARG 244 N -0.04 3.82 0.28 2.88 3.52 -0.73 -0.20 118.95 128.48 3hl9 s ARG 244 Ca -0.01 0.16 -0.18 0.00 -0.13 0.00 0.00 55.73 55.58 3hl9 s ARG 244 Cb -0.09 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 3hl9 s ARG 244 CO 0.01 0.63 0.75 -0.80 -0.81 0.00 0.00 175.30 175.08 3hl9 s ASN 245 N -0.76 6.93 0.19 -2.12 0.01 0.04 -4.76 114.94 114.46 3hl9 s ASN 245 Ca 0.19 1.38 -0.06 0.00 -0.71 0.00 0.00 52.86 53.66 3hl9 s ASN 245 Cb -0.14 -2.41 0.12 0.00 0.41 0.00 0.00 41.25 39.23 3hl9 s ASN 245 CO 0.08 -0.10 1.58 0.28 -1.51 0.00 0.00 177.10 177.43 3hl9 h SER 246 N 2.80 0.81 0.06 -1.22 0.02 -1.98 -1.97 113.55 112.09 3hl9 h SER 246 Ca -0.48 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.14 3hl9 h SER 246 Cb 1.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3hl9 h SER 246 CO 0.65 1.06 -0.03 0.00 -1.14 0.00 0.00 176.83 177.37 3hl9 h ALA 247 N 0.99 -0.08 0.00 3.77 0.00 -1.96 -3.39 119.26 118.59 3hl9 h ALA 247 Ca 0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3hl9 h ALA 247 Cb 0.84 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hl9 h ALA 247 CO 0.07 -0.44 -0.88 -0.44 0.00 0.00 0.00 179.25 177.57 3hl9 h ASP 248 N -0.31 0.00 0.00 0.00 5.19 -1.99 -3.48 116.42 115.83 3hl9 h ASP 248 Ca -0.01 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3hl9 h ASP 248 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3hl9 h ASP 248 CO 0.01 1.19 0.00 0.61 -3.12 0.00 0.00 179.24 177.93 3hl9 n GLY 249 N 1.52 0.50 3.93 2.75 0.00 -0.74 -5.06 105.19 108.09 3hl9 n GLY 249 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 3hl9 n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hl9 s ARG 250 N -0.86 3.35 0.06 1.61 0.52 -1.26 -4.77 118.95 117.60 3hl9 s ARG 250 Ca 0.00 -0.22 0.09 0.00 -0.52 0.00 0.00 55.73 55.08 3hl9 s ARG 250 Cb 0.00 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3hl9 s ARG 250 CO 0.00 -0.11 -0.22 -0.48 0.02 0.00 0.00 175.30 174.50 3hl9 s LEU 251 N -4.54 2.41 0.22 2.53 0.05 -1.26 -0.78 118.68 117.30 3hl9 s LEU 251 Ca 0.45 -0.54 0.03 0.00 0.05 0.00 0.00 54.13 54.12 3hl9 s LEU 251 Cb -0.10 -1.39 -0.05 0.00 -2.05 0.00 0.00 46.19 42.60 3hl9 s LEU 251 CO 0.39 0.24 -0.01 0.00 -0.55 0.00 0.00 176.35 176.43 3hl9 s ARG 252 N -1.50 1.29 0.92 1.48 1.70 0.73 -4.98 118.95 118.58 3hl9 s ARG 252 Ca 0.14 -1.64 -0.11 0.00 -0.47 0.00 0.00 55.73 53.64 3hl9 s ARG 252 Cb -0.10 -0.56 0.14 0.00 -0.57 0.00 0.00 34.95 33.86 3hl9 s ARG 252 CO 0.04 -0.10 1.10 -0.47 -1.08 0.00 0.00 175.30 174.80 3hl9 s TYR 253 N -3.46 2.01 0.00 5.89 5.04 -1.26 -1.58 117.35 123.99 3hl9 s TYR 253 Ca 0.27 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 3hl9 s TYR 253 Cb 0.06 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.18 3hl9 s TYR 253 CO 0.08 -2.62 0.00 -3.47 -1.34 0.00 0.00 175.55 168.19 3hl9 n ASP 254 N -4.08 1.54 -2.39 4.32 2.03 -0.78 -4.49 116.55 112.71 3hl9 n ASP 254 Ca 0.08 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 3hl9 n ASP 254 Cb 0.54 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.96 3hl9 n ASP 254 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hl9 s PHE 267 N -3.67 3.50 1.13 0.00 0.08 -1.26 -4.82 117.98 112.94 3hl9 s PHE 267 Ca 0.51 1.11 -0.15 0.00 0.12 0.00 0.00 56.93 58.52 3hl9 s PHE 267 Cb 0.42 -2.43 0.25 0.00 -0.57 0.00 0.00 43.02 40.70 3hl9 s PHE 267 CO -0.13 0.28 1.07 0.20 -0.10 0.00 0.00 175.22 176.53 3hl9 s GLY 268 N -2.03 1.55 0.00 4.36 0.00 -1.26 -4.00 107.32 105.94 3hl9 s GLY 268 Ca 0.46 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.66 3hl9 s GLY 268 CO 0.20 0.23 0.00 0.61 0.00 0.00 0.00 173.10 174.14 3hl9 n GLY 269 N -0.43 2.64 3.58 0.20 0.00 -1.19 -3.77 105.19 106.23 3hl9 n GLY 269 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3hl9 n GLY 269 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hl9 s GLN 270 N 0.00 1.38 0.00 1.61 1.03 -1.26 -4.04 119.66 118.39 3hl9 s GLN 270 Ca 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 55.36 54.78 3hl9 s GLN 270 Cb 0.00 0.57 0.00 0.00 0.03 0.00 0.00 33.01 33.61 3hl9 s GLN 270 CO 0.00 -0.62 0.00 0.41 -2.54 0.00 0.00 175.29 172.54 3hl9 n GLY 271 N -0.40 1.18 3.75 2.60 0.00 -1.24 -4.63 105.19 106.45 3hl9 n GLY 271 Ca -0.12 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3hl9 n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hl9 s VAL 272 N -2.12 4.62 -0.20 1.61 1.01 -1.26 -4.67 120.40 119.38 3hl9 s VAL 272 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3hl9 s VAL 272 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 3hl9 s VAL 272 CO 0.00 0.49 -0.01 -0.36 0.00 0.00 0.00 175.10 175.22 3hl9 s PHE 273 N -1.04 3.03 0.07 5.22 0.08 -0.37 -1.27 117.98 123.69 3hl9 s PHE 273 Ca 0.18 -0.50 -0.09 0.00 0.12 0.00 0.00 56.93 56.64 3hl9 s PHE 273 Cb -0.12 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 3hl9 s PHE 273 CO 0.08 -0.26 0.20 -1.54 -0.10 0.00 0.00 175.22 173.60 3hl9 s SER 274 N 1.01 0.07 0.32 1.36 1.04 -0.47 -1.68 113.70 115.35 3hl9 s SER 274 Ca 0.01 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 3hl9 s SER 274 Cb -0.14 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 3hl9 s SER 274 CO 0.01 -0.65 1.33 -0.83 0.98 0.00 0.00 173.24 174.08 3hl9 s GLY 275 N -2.50 2.91 0.49 7.32 0.00 -1.22 -2.09 107.32 112.24 3hl9 s GLY 275 Ca 0.00 1.28 0.17 0.00 0.00 0.00 0.00 44.72 46.17 3hl9 s GLY 275 CO -0.08 1.97 2.08 -0.56 0.00 0.00 0.00 173.10 176.52 3hl9 h PRO 276 N 3.59 0.00 -0.73 2.90 0.13 -1.70 -2.38 132.00 133.81 3hl9 h PRO 276 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3hl9 h PRO 276 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3hl9 h PRO 276 CO 0.67 0.09 0.32 0.78 -0.23 0.00 0.00 178.00 179.63 3hl9 h GLY 277 N 0.30 1.13 0.93 1.56 0.00 -1.69 -2.77 103.07 102.54 3hl9 h GLY 277 Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 3hl9 h GLY 277 CO 0.01 0.54 -0.60 1.76 0.00 0.00 0.00 176.54 178.26 3hl9 h SER 278 N 1.04 0.68 -0.97 0.19 0.02 -1.65 -3.02 113.55 109.84 3hl9 h SER 278 Ca 0.25 -0.66 0.16 0.00 -0.84 0.00 0.00 61.79 60.70 3hl9 h SER 278 Cb 0.15 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.39 3hl9 h SER 278 CO -0.03 1.24 0.58 0.22 -1.14 0.00 0.00 176.83 177.70 3hl9 h TYR 279 N 0.17 1.03 0.11 3.45 3.20 -1.43 -1.64 116.97 121.86 3hl9 h TYR 279 Ca -0.05 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3hl9 h TYR 279 Cb 1.25 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3hl9 h TYR 279 CO 0.11 0.28 -0.27 1.98 -1.64 0.00 0.00 178.16 178.63 3hl9 h MET 280 N 0.80 -0.45 -0.97 1.82 4.05 -1.41 -2.25 114.93 116.52 3hl9 h MET 280 Ca 0.53 0.03 0.31 0.00 -0.28 0.00 0.00 59.70 60.30 3hl9 h MET 280 Cb 0.74 0.10 -0.17 0.00 -0.80 0.00 0.00 31.60 31.47 3hl9 h MET 280 CO -0.35 -0.30 0.30 0.87 0.23 0.00 0.00 176.91 177.66 3hl9 h LYS 281 N -0.47 0.09 -0.06 0.39 1.57 -1.18 0.44 116.57 117.35 3hl9 h LYS 281 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hl9 h LYS 281 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hl9 h LYS 281 CO -0.16 0.06 0.01 0.28 -0.57 0.00 0.00 179.45 179.07 3hl9 h VAL 282 N 0.10 1.19 -0.19 0.50 2.07 -1.29 -2.15 116.25 116.48 3hl9 h VAL 282 Ca 0.68 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3hl9 h VAL 282 Cb 1.56 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3hl9 h VAL 282 CO -0.77 0.16 0.13 -0.07 0.02 0.00 0.00 177.57 177.04 3hl9 h LEU 283 N -0.12 0.09 0.29 2.57 3.38 0.17 -2.96 115.31 118.72 3hl9 h LEU 283 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hl9 h LEU 283 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hl9 h LEU 283 CO 0.00 0.06 -0.14 -0.74 0.09 0.00 0.00 178.44 177.71 3hl9 h HIS 284 N 0.10 -0.36 -0.84 1.13 2.76 -0.39 -2.11 115.15 115.45 3hl9 h HIS 284 Ca 0.08 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.41 3hl9 h HIS 284 Cb 0.20 0.12 -0.10 0.00 1.55 0.00 0.00 27.41 29.18 3hl9 h HIS 284 CO -0.00 -0.03 0.40 0.66 -1.30 0.00 0.00 177.93 177.65 3hl9 h SER 285 N -0.97 0.43 0.37 3.26 4.64 -1.35 0.35 113.55 120.27 3hl9 h SER 285 Ca -0.04 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hl9 h SER 285 Cb 0.48 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3hl9 h SER 285 CO 0.06 0.14 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.92 3hl9 h LEU 286 N 0.53 -0.42 -0.73 5.97 3.38 -1.58 -2.36 115.31 120.10 3hl9 h LEU 286 Ca 0.48 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.60 3hl9 h LEU 286 Cb 0.75 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 3hl9 h LEU 286 CO -0.41 -0.28 0.23 0.25 0.09 0.00 0.00 178.44 178.31 3hl9 h LEU 287 N -0.52 0.12 -3.91 1.67 5.85 -0.26 -2.70 115.31 115.56 3hl9 h LEU 287 Ca -0.05 0.13 -0.62 0.00 0.84 0.00 0.00 57.88 58.18 3hl9 h LEU 287 Cb 0.40 0.15 -0.32 0.00 0.37 0.00 0.00 40.66 41.25 3hl9 h LEU 287 CO 0.08 0.02 0.40 2.29 -0.34 0.00 0.00 178.44 180.90 3hl9 n LYS 288 N -5.09 2.86 -0.54 1.25 2.85 -0.40 -4.92 118.16 114.17 3hl9 n LYS 288 Ca 0.14 -3.49 -0.02 0.00 -1.05 0.00 0.00 58.31 53.89 3hl9 n LYS 288 Cb 0.44 -2.26 -0.01 0.00 -0.65 0.00 0.00 35.03 32.55 3hl9 n LYS 288 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3hl9 n ARG 289 N -0.89 -1.84 0.18 -1.58 0.00 -1.02 -4.69 116.66 106.82 3hl9 n ARG 289 Ca 0.57 0.25 0.13 0.00 -0.00 0.00 0.00 57.85 58.79 3hl9 n ARG 289 Cb 0.81 -3.68 0.65 0.00 -0.00 0.00 0.00 32.46 30.24 3hl9 n ARG 289 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 3hl9 h ASP 290 N 0.00 0.00 0.00 2.89 2.03 -1.70 -3.44 116.42 116.20 3hl9 h ASP 290 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3hl9 h ASP 290 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 3hl9 h ASP 290 CO 0.05 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 3hl9 n GLY 291 N -1.05 0.53 0.17 7.15 0.00 -1.26 -4.89 105.19 105.83 3hl9 n GLY 291 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3hl9 n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hl9 h LEU 292 N 0.00 0.13 0.00 0.99 4.07 -1.89 -3.35 115.31 115.26 3hl9 h LEU 292 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3hl9 h LEU 292 Cb 0.15 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3hl9 h LEU 292 CO 0.00 0.62 -0.64 0.00 -1.08 0.00 0.00 178.44 177.34 3hl9 n LEU 293 N -3.93 0.00 0.00 1.67 -0.00 -1.26 -4.93 117.00 108.55 3hl9 n LEU 293 Ca -0.02 -0.10 -0.17 0.00 -0.00 0.00 0.00 56.01 55.72 3hl9 n LEU 293 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.91 3hl9 n LEU 293 CO 0.42 0.00 0.04 -0.11 -0.00 0.00 0.00 177.39 177.74 3hl9 n LEU 294 N -1.16 0.00 -4.06 1.47 7.94 -1.26 -4.86 117.00 115.07 3hl9 n LEU 294 Ca 0.00 -3.10 -0.32 0.00 -1.11 0.00 0.00 56.01 51.48 3hl9 n LEU 294 Cb 0.00 2.20 -0.15 0.00 0.53 0.00 0.00 43.42 46.00 3hl9 n LEU 294 CO 0.00 -0.61 -0.47 -1.58 -1.11 0.00 0.00 177.39 173.62 3hl9 s GLN 295 N -3.10 2.31 0.12 1.96 0.74 -1.26 -4.07 119.66 116.37 3hl9 s GLN 295 Ca 0.35 -1.18 0.07 0.00 0.05 0.00 0.00 55.36 54.65 3hl9 s GLN 295 Cb 0.00 -2.77 0.44 0.00 1.10 0.00 0.00 33.01 31.78 3hl9 s GLN 295 CO 0.25 -0.49 0.53 -2.30 -0.55 0.00 0.00 175.29 172.72 3hl9 n PRO 296 N 4.51 -0.02 -0.03 1.67 -0.02 -1.26 0.14 135.00 139.99 3hl9 n PRO 296 Ca -0.15 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 3hl9 n PRO 296 Cb 0.44 -0.82 -0.04 0.00 -0.02 0.00 0.00 33.50 33.05 3hl9 n PRO 296 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hl9 h GLN 297 N 0.00 0.21 0.00 -0.52 7.50 -1.99 -1.50 115.11 118.81 3hl9 h GLN 297 Ca 0.28 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.33 3hl9 h GLN 297 Cb 0.73 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 3hl9 h GLN 297 CO -0.26 0.17 -0.38 1.79 -1.50 0.00 0.00 178.83 178.65 3hl9 h THR 298 N 0.18 0.75 -0.28 -0.54 1.35 0.78 -2.76 112.91 112.40 3hl9 h THR 298 Ca 0.06 -1.70 -0.06 0.00 -0.55 0.00 0.00 66.41 64.16 3hl9 h THR 298 Cb 0.01 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3hl9 h THR 298 CO -0.01 0.37 -0.05 0.58 -0.25 0.00 0.00 175.52 176.15 3hl9 h VAL 299 N 0.00 1.28 -1.00 6.82 2.07 -1.36 -3.07 116.25 120.98 3hl9 h VAL 299 Ca -0.00 -1.06 0.20 0.00 0.82 0.00 0.00 66.70 66.65 3hl9 h VAL 299 Cb 1.07 1.41 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 3hl9 h VAL 299 CO 0.05 0.34 0.60 0.44 0.02 0.00 0.00 177.57 179.02 3hl9 h ASP 300 N 0.29 0.76 -0.44 0.57 3.32 -0.99 -0.19 116.42 119.73 3hl9 h ASP 300 Ca 0.07 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3hl9 h ASP 300 Cb 0.52 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3hl9 h ASP 300 CO 0.03 0.24 0.21 -0.07 -1.72 0.00 0.00 179.24 177.93 3hl9 h LEU 301 N 0.72 0.29 -1.12 1.55 3.38 -1.42 -1.80 115.31 116.93 3hl9 h LEU 301 Ca 0.59 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.81 3hl9 h LEU 301 Cb 0.95 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 3hl9 h LEU 301 CO -0.40 0.21 0.62 0.24 0.09 0.00 0.00 178.44 179.20 3hl9 h MET 302 N 0.42 0.59 -0.00 1.13 2.86 -0.99 0.27 114.93 119.21 3hl9 h MET 302 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3hl9 h MET 302 Cb 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hl9 h MET 302 CO -0.15 0.39 -0.14 1.19 1.06 0.00 0.00 176.91 179.26 3hl9 n PHE 303 N -4.75 0.00 -2.55 -0.22 3.01 -0.72 -1.65 117.46 110.57 3hl9 n PHE 303 Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 3hl9 n PHE 303 Cb 0.70 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 3hl9 n PHE 303 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3hl9 s GLN 304 N -2.69 4.45 -0.45 -1.08 -1.52 0.96 -4.95 119.66 114.38 3hl9 s GLN 304 Ca 0.22 1.59 -0.27 0.00 -1.95 0.00 0.00 55.36 54.95 3hl9 s GLN 304 Cb 0.19 -3.46 -0.02 0.00 -0.22 0.00 0.00 33.01 29.50 3hl9 s GLN 304 CO 0.53 -0.25 1.89 -2.14 -0.25 0.00 0.00 175.29 175.06 3hl9 s PRO 305 N 1.46 2.95 0.42 2.91 0.02 -1.26 -4.43 135.00 137.06 3hl9 s PRO 305 Ca 0.55 1.14 0.23 0.00 0.02 0.00 0.00 61.00 62.94 3hl9 s PRO 305 Cb -0.24 -4.31 0.61 0.00 0.02 0.00 0.00 34.50 30.58 3hl9 s PRO 305 CO 0.26 -2.33 1.70 0.00 -0.33 0.00 0.00 177.00 176.30 3hl9 h ALA 306 N 14.35 0.93 -2.32 -1.55 0.00 -1.01 -3.45 119.26 126.21 3hl9 h ALA 306 Ca -0.30 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.90 3hl9 h ALA 306 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hl9 h ALA 306 CO 1.11 0.22 0.86 -0.51 0.00 0.00 0.00 179.25 180.93 3hl9 s LEU 307 N -6.42 4.29 0.78 0.00 2.01 -1.23 -5.00 118.68 113.11 3hl9 s LEU 307 Ca 0.04 2.04 -0.15 0.00 0.01 0.00 0.00 54.13 56.06 3hl9 s LEU 307 Cb 0.08 -3.55 0.03 0.00 0.01 0.00 0.00 46.19 42.75 3hl9 s LEU 307 CO 0.66 -0.74 0.93 -0.62 1.01 0.00 0.00 176.35 177.59 3hl9 n GLU 308 N 5.75 0.28 -0.19 1.70 4.71 -1.26 -4.57 120.64 127.06 3hl9 n GLU 308 Ca 0.13 0.16 -0.04 0.00 -0.01 0.00 0.00 57.16 57.40 3hl9 n GLU 308 Cb 0.44 -2.20 0.06 0.00 -1.01 0.00 0.00 31.44 28.73 3hl9 n GLU 308 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3hl9 h PRO 309 N -0.63 0.58 0.00 3.49 0.11 -1.98 0.30 132.00 133.85 3hl9 h PRO 309 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3hl9 h PRO 309 Cb 1.32 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3hl9 h PRO 309 CO 0.45 0.38 -0.62 -0.09 -0.21 0.00 0.00 178.00 177.90 3hl9 h ARG 310 N 0.59 0.00 -0.08 1.05 1.12 -2.00 -2.82 114.38 112.24 3hl9 h ARG 310 Ca 0.24 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.09 3hl9 h ARG 310 Cb 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3hl9 h ARG 310 CO -0.15 0.62 -0.02 -0.07 -3.11 0.00 0.00 179.97 177.25 3hl9 h LEU 311 N 0.00 0.15 -1.81 3.80 3.38 -1.68 -2.81 115.31 116.34 3hl9 h LEU 311 Ca -0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hl9 h LEU 311 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hl9 h LEU 311 CO 0.08 0.49 0.00 1.05 0.09 0.00 0.00 178.44 180.15 3hl9 h GLU 312 N -0.19 0.00 0.00 1.13 4.11 -0.42 -1.98 114.58 117.24 3hl9 h GLU 312 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 3hl9 h GLU 312 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hl9 h GLU 312 CO 0.01 0.00 -0.00 1.49 0.07 0.00 0.00 179.01 180.58 3hl9 h GLU 313 N 0.00 -0.01 -0.08 1.06 4.22 -1.48 -2.78 114.58 115.52 3hl9 h GLU 313 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 3hl9 h GLU 313 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hl9 h GLU 313 CO 0.00 0.87 0.06 -0.56 -2.18 0.00 0.00 179.01 177.19 3hl9 h GLN 314 N -0.96 0.00 0.12 1.92 -0.00 -1.23 -0.40 115.11 114.56 3hl9 h GLN 314 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3hl9 h GLN 314 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.36 3hl9 h GLN 314 CO 0.00 0.00 -0.06 1.98 -0.00 0.00 0.00 178.83 180.75 3hl9 h MET 315 N 0.00 -0.15 -0.62 0.06 4.05 -1.43 -0.44 114.93 116.41 3hl9 h MET 315 Ca 0.04 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 3hl9 h MET 315 Cb 0.15 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 30.90 3hl9 h MET 315 CO -0.00 0.27 0.17 -0.91 0.23 0.00 0.00 176.91 176.67 3hl9 h ASN 316 N -0.63 0.09 -0.31 1.39 2.35 -1.13 0.13 115.58 117.47 3hl9 h ASN 316 Ca -0.02 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hl9 h ASN 316 Cb 0.49 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3hl9 h ASN 316 CO 0.03 0.05 0.20 1.56 -1.65 0.00 0.00 177.43 177.61 3hl9 h GLN 317 N 0.31 0.42 0.20 0.81 4.20 -1.04 -0.64 115.11 119.37 3hl9 h GLN 317 Ca 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 3hl9 h GLN 317 Cb 0.47 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3hl9 h GLN 317 CO -0.38 0.30 -0.10 1.25 -0.67 0.00 0.00 178.83 179.23 3hl9 h HIS 318 N 0.42 -0.25 -0.59 2.96 2.76 -0.46 -1.93 115.15 118.06 3hl9 h HIS 318 Ca 0.11 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3hl9 h HIS 318 Cb -0.02 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3hl9 h HIS 318 CO -0.05 -0.15 0.27 0.52 -1.30 0.00 0.00 177.93 177.22 3hl9 h MET 319 N -0.28 0.84 -0.31 5.26 2.86 -0.62 -1.29 114.93 121.39 3hl9 h MET 319 Ca -0.03 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3hl9 h MET 319 Cb 0.22 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3hl9 h MET 319 CO 0.05 0.67 0.01 -0.44 1.06 0.00 0.00 176.91 178.25 3hl9 h ASP 320 N 0.84 0.53 0.68 1.22 3.32 -1.06 -2.98 116.42 118.98 3hl9 h ASP 320 Ca 0.20 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3hl9 h ASP 320 Cb 0.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3hl9 h ASP 320 CO -0.02 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 3hl9 h ALA 321 N 0.85 1.00 -2.67 3.45 0.00 -0.70 -3.32 119.26 117.88 3hl9 h ALA 321 Ca 0.09 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.34 3hl9 h ALA 321 Cb 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.82 3hl9 h ALA 321 CO 0.01 0.00 -0.28 -1.13 0.00 0.00 0.00 179.25 177.86 3hl9 n SER 322 N -2.89 3.96 0.20 0.00 3.41 -0.55 -4.86 113.62 112.89 3hl9 n SER 322 Ca -0.00 -3.26 0.09 0.00 -0.26 0.00 0.00 58.87 55.43 3hl9 n SER 322 Cb 0.22 -0.89 0.22 0.00 -0.26 0.00 0.00 64.21 63.50 3hl9 n SER 322 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hl9 h PRO 323 N 5.29 0.00 0.00 4.33 0.13 -1.72 -2.61 132.00 137.42 3hl9 h PRO 323 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3hl9 h PRO 323 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3hl9 h PRO 323 CO 0.86 0.23 -0.25 1.12 -0.23 0.00 0.00 178.00 179.73 3hl9 h HIS 324 N 0.00 0.00 0.00 1.56 2.07 -1.94 -3.17 115.15 113.67 3hl9 h HIS 324 Ca -0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 3hl9 h HIS 324 Cb 1.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 3hl9 h HIS 324 CO 0.00 0.25 -0.52 0.82 -3.07 0.00 0.00 177.93 175.41 3hl9 h ILE 325 N 0.00 0.81 -5.81 6.12 2.04 -1.95 -3.49 117.51 115.24 3hl9 h ILE 325 Ca -0.00 -1.77 -0.16 0.00 1.00 0.00 0.00 64.86 63.93 3hl9 h ILE 325 Cb 0.55 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3hl9 h ILE 325 CO 0.03 0.28 -0.52 -3.20 0.00 0.00 0.00 178.15 174.74 3hl9 n ASN 326 N -4.58 -6.89 0.15 1.72 5.15 -0.99 -4.84 115.26 104.97 3hl9 n ASN 326 Ca -0.15 -0.14 0.03 0.00 -0.60 0.00 0.00 54.58 53.73 3hl9 n ASN 326 Cb 0.42 -4.06 0.42 0.00 -0.53 0.00 0.00 39.78 36.02 3hl9 n ASN 326 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3hl9 h TYR 327 N 0.87 0.16 -0.86 1.20 -1.99 -1.90 -2.95 116.97 111.51 3hl9 h TYR 327 Ca -0.21 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.52 3hl9 h TYR 327 Cb 1.14 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.78 3hl9 h TYR 327 CO 0.16 0.32 0.56 0.78 -0.00 0.00 0.00 178.16 179.98 3hl9 h GLY 328 N 0.73 1.22 0.00 3.88 0.00 -1.90 -3.45 103.07 103.55 3hl9 h GLY 328 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3hl9 h GLY 328 CO 0.03 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.58 3hl9 n GLY 329 N -1.33 1.78 0.10 4.60 0.00 -1.12 -3.69 105.19 105.52 3hl9 n GLY 329 Ca 0.10 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3hl9 n GLY 329 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hl9 n PRO 330 N 0.00 0.58 -3.09 1.61 -0.04 -1.26 -4.95 135.00 127.86 3hl9 n PRO 330 Ca 0.00 0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 3hl9 n PRO 330 Cb 0.00 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 3hl9 n PRO 330 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hl9 s MET 331 N -3.36 3.97 0.05 0.54 0.23 -1.24 -4.85 119.30 114.64 3hl9 s MET 331 Ca -0.01 0.65 -0.19 0.00 -1.03 0.00 0.00 55.69 55.11 3hl9 s MET 331 Cb 0.10 -2.42 -0.10 0.00 -1.53 0.00 0.00 34.83 30.88 3hl9 s MET 331 CO 0.80 0.12 0.44 -2.30 -2.03 0.00 0.00 175.02 172.05 3hl9 n PRO 332 N -0.52 0.00 -0.15 3.16 -0.02 -1.26 -4.87 135.00 131.34 3hl9 n PRO 332 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 3hl9 n PRO 332 Cb 0.53 -0.69 -0.00 0.00 -0.02 0.00 0.00 33.50 33.32 3hl9 n PRO 332 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3hl9 h MET 333 N 1.11 0.73 -5.10 -0.52 2.86 -1.96 -3.36 114.93 108.68 3hl9 h MET 333 Ca -0.22 -0.20 -0.62 0.00 -2.06 0.00 0.00 59.70 56.60 3hl9 h MET 333 Cb 0.79 -0.08 -0.15 0.00 0.06 0.00 0.00 31.60 32.22 3hl9 h MET 333 CO 0.34 0.76 -0.40 0.08 1.06 0.00 0.00 176.91 178.75 3hl9 s VAL 334 N -5.19 5.27 0.10 -2.22 1.01 -1.26 -4.69 120.40 113.43 3hl9 s VAL 334 Ca -0.13 0.36 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 3hl9 s VAL 334 Cb 0.11 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.94 3hl9 s VAL 334 CO 0.79 0.26 0.50 -0.22 0.00 0.00 0.00 175.10 176.43 3hl9 s LEU 335 N 1.55 -0.06 -0.38 3.92 0.20 -1.26 -5.12 118.68 117.53 3hl9 s LEU 335 Ca 0.11 -0.03 -0.17 0.00 0.69 0.00 0.00 54.13 54.73 3hl9 s LEU 335 Cb -0.15 2.16 0.00 0.00 -0.43 0.00 0.00 46.19 47.78 3hl9 s LEU 335 CO 0.08 -0.83 0.44 -0.60 -0.29 0.00 0.00 176.35 175.15 3hl9 s ARG 336 N -3.25 3.39 0.29 1.98 3.52 -1.26 -4.98 118.95 118.63 3hl9 s ARG 336 Ca -0.01 -0.49 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3hl9 s ARG 336 Cb 0.00 -3.87 -0.06 0.00 -1.56 0.00 0.00 34.95 29.46 3hl9 s ARG 336 CO -0.08 -0.70 -0.00 1.03 -0.81 0.00 0.00 175.30 174.73 3hl9 s ARG 337 N 2.19 1.54 0.00 5.12 3.00 -1.26 -1.57 118.95 127.96 3hl9 s ARG 337 Ca 0.14 -1.81 0.00 0.00 0.00 0.00 0.00 55.73 54.06 3hl9 s ARG 337 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 34.95 33.85 3hl9 s ARG 337 CO 0.13 -0.07 0.00 0.45 0.00 0.00 0.00 175.30 175.81 3hl9 n SER 338 N -0.58 0.64 -4.07 0.23 2.88 -0.33 -4.71 113.62 107.67 3hl9 n SER 338 Ca -0.04 -0.82 -0.15 0.00 -1.33 0.00 0.00 58.87 56.52 3hl9 n SER 338 Cb 0.65 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.98 3hl9 n SER 338 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3hl9 s PHE 339 N -1.45 0.79 0.00 0.66 2.19 -1.26 -0.92 117.98 117.99 3hl9 s PHE 339 Ca 0.00 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 56.87 3hl9 s PHE 339 Cb 0.00 -0.47 0.00 0.00 -1.31 0.00 0.00 43.02 41.24 3hl9 s PHE 339 CO 0.00 -0.03 0.00 0.41 1.83 0.00 0.00 175.22 177.43 3hl9 n GLY 340 N 1.80 2.00 2.92 13.12 0.00 -0.72 -0.38 105.19 123.92 3hl9 n GLY 340 Ca -0.20 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3hl9 n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 341 N 0.00 4.64 0.00 0.99 1.43 -0.66 -4.42 118.68 120.66 3hl9 s LEU 341 Ca 0.00 -3.55 0.00 0.00 -1.03 0.00 0.00 54.13 49.55 3hl9 s LEU 341 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3hl9 s LEU 341 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3hl9 n GLY 342 N 2.38 1.29 0.00 -3.19 0.00 -1.26 -4.77 105.19 99.65 3hl9 n GLY 342 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hl9 n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hl9 n GLY 343 N 0.00 1.42 3.83 -0.02 0.00 -1.26 -4.60 105.19 104.56 3hl9 n GLY 343 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3hl9 n GLY 343 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hl9 s ILE 344 N -2.51 4.62 -0.16 -0.61 -1.09 0.76 -1.76 121.20 120.46 3hl9 s ILE 344 Ca 0.00 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 3hl9 s ILE 344 Cb 0.00 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 3hl9 s ILE 344 CO 0.00 -0.02 -0.18 -0.63 -1.23 0.00 0.00 174.94 172.88 3hl9 s ILE 345 N -1.79 1.86 -0.42 2.92 1.01 -0.10 -0.69 121.20 123.99 3hl9 s ILE 345 Ca 0.50 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 3hl9 s ILE 345 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3hl9 s ILE 345 CO 0.19 0.51 1.91 0.00 0.00 0.00 0.00 174.94 177.55 3hl9 s ALA 346 N 1.24 2.52 0.18 9.38 0.00 -0.80 -1.19 121.76 133.10 3hl9 s ALA 346 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 3hl9 s ALA 346 Cb -0.14 -4.14 0.07 0.00 0.00 0.00 0.00 23.12 18.92 3hl9 s ALA 346 CO -0.09 -3.21 1.49 -0.07 0.00 0.00 0.00 175.76 173.88 3hl9 h LEU 347 N 15.21 0.72 0.00 0.00 3.38 -1.61 -2.08 115.31 130.92 3hl9 h LEU 347 Ca -0.31 -0.37 -0.53 0.00 0.09 0.00 0.00 57.88 56.76 3hl9 h LEU 347 Cb 1.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hl9 h LEU 347 CO 1.09 1.11 -0.17 -1.84 0.09 0.00 0.00 178.44 178.72 3hl9 n GLU 348 N -3.98 0.64 -3.04 1.13 0.28 -1.17 -4.69 120.64 109.80 3hl9 n GLU 348 Ca -0.03 -3.30 -0.40 0.00 -0.16 0.00 0.00 57.16 53.27 3hl9 n GLU 348 Cb 0.60 0.08 -0.05 0.00 1.43 0.00 0.00 31.44 33.49 3hl9 n GLU 348 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3hl9 s ASP 349 N -4.41 6.90 0.21 -1.84 -1.08 -1.26 -3.64 116.67 111.54 3hl9 s ASP 349 Ca 0.46 1.09 -0.08 0.00 -0.52 0.00 0.00 52.55 53.49 3hl9 s ASP 349 Cb -0.04 -2.40 0.14 0.00 -1.46 0.00 0.00 42.92 39.17 3hl9 s ASP 349 CO 0.29 -0.20 1.75 -0.07 0.52 0.00 0.00 175.17 177.46 3hl9 h LEU 350 N 7.40 1.10 -5.00 -1.34 4.07 -1.69 -3.40 115.31 116.45 3hl9 h LEU 350 Ca -0.36 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.30 3hl9 h LEU 350 Cb 1.17 -0.29 -0.16 0.00 1.08 0.00 0.00 40.66 42.47 3hl9 h LEU 350 CO 0.77 1.00 -0.36 -0.67 -1.08 0.00 0.00 178.44 178.10 3hl9 n ASP 351 N -4.26 -2.75 0.00 -0.43 2.03 -1.26 -4.97 116.55 104.91 3hl9 n ASP 351 Ca 0.06 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.08 3hl9 n ASP 351 Cb 0.22 1.42 0.00 0.00 -0.72 0.00 0.00 41.12 42.03 3hl9 n ASP 351 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hl9 n GLY 352 N 2.71 2.79 0.85 0.27 0.00 -1.26 -1.76 105.19 108.80 3hl9 n GLY 352 Ca 0.15 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3hl9 n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hl9 n GLU 353 N 14.00 2.10 0.10 1.61 4.71 -1.26 -4.39 120.64 137.51 3hl9 n GLU 353 Ca 0.00 -1.67 -0.18 0.00 -0.01 0.00 0.00 57.16 55.30 3hl9 n GLU 353 Cb 0.00 -1.44 -0.12 0.00 -1.01 0.00 0.00 31.44 28.87 3hl9 n GLU 353 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3hl9 h ASN 354 N 3.20 0.61 -0.08 1.62 4.21 -1.76 -3.48 115.58 119.90 3hl9 h ASN 354 Ca 0.00 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 56.91 3hl9 h ASN 354 Cb 0.71 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3hl9 h ASN 354 CO 0.00 1.45 0.00 1.87 -1.29 0.00 0.00 177.43 179.46 3hl9 n TRP 355 N -3.66 0.00 -1.62 1.19 -0.00 -1.19 -4.51 117.44 107.65 3hl9 n TRP 355 Ca -0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 57.50 57.03 3hl9 n TRP 355 Cb 1.00 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 32.38 3hl9 n TRP 355 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3hl9 s ARG 356 N 1.88 2.38 0.10 5.87 0.52 -1.26 -4.80 118.95 123.64 3hl9 s ARG 356 Ca 0.00 1.96 0.06 0.00 -0.52 0.00 0.00 55.73 57.23 3hl9 s ARG 356 Cb 0.00 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 3hl9 s ARG 356 CO 0.00 -1.70 -0.07 1.03 0.02 0.00 0.00 175.30 174.59 3hl9 s ARG 357 N -3.57 2.27 -0.03 3.54 1.81 -1.26 -1.85 118.95 119.86 3hl9 s ARG 357 Ca 0.80 -0.96 -0.34 0.00 -1.72 0.00 0.00 55.73 53.51 3hl9 s ARG 357 Cb -0.34 -2.39 -0.17 0.00 -0.45 0.00 0.00 34.95 31.60 3hl9 s ARG 357 CO 0.42 0.52 0.94 1.17 -0.68 0.00 0.00 175.30 177.67 3hl9 n LYS 358 N 0.68 0.00 0.00 3.54 4.81 -1.24 -1.54 118.16 124.41 3hl9 n LYS 358 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3hl9 n LYS 358 Cb 0.52 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.30 3hl9 n LYS 358 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hl9 n GLY 359 N 1.44 1.93 3.73 3.14 0.00 -0.78 -4.77 105.19 109.87 3hl9 n GLY 359 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hl9 n GLY 359 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hl9 n SER 360 N 0.00 3.00 -4.16 1.61 3.41 -0.59 -4.75 113.62 112.14 3hl9 n SER 360 Ca 0.00 1.16 -0.34 0.00 -0.26 0.00 0.00 58.87 59.42 3hl9 n SER 360 Cb 0.00 -1.54 -0.14 0.00 -0.26 0.00 0.00 64.21 62.27 3hl9 n SER 360 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hl9 s LEU 361 N -1.82 3.60 0.17 1.04 2.96 0.71 -1.90 118.68 123.45 3hl9 s LEU 361 Ca 0.58 -1.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3hl9 s LEU 361 Cb -0.50 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3hl9 s LEU 361 CO 0.60 -0.21 -0.07 0.28 -1.32 0.00 0.00 176.35 175.64 3hl9 s THR 362 N 1.24 3.37 0.28 3.68 -1.32 0.13 -1.40 115.64 121.62 3hl9 s THR 362 Ca -0.05 -1.56 -0.09 0.00 -1.21 0.00 0.00 61.69 58.79 3hl9 s THR 362 Cb -0.19 -2.67 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 3hl9 s THR 362 CO -0.03 -0.09 0.53 0.33 -2.21 0.00 0.00 174.62 173.14 3hl9 n PHE 363 N 0.03 -1.81 -3.87 9.09 7.35 -1.07 -0.17 117.46 127.02 3hl9 n PHE 363 Ca -0.11 -1.44 -0.05 0.00 -0.76 0.00 0.00 57.45 55.09 3hl9 n PHE 363 Cb 0.55 0.61 0.02 0.00 0.35 0.00 0.00 39.48 41.02 3hl9 n PHE 363 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hl9 s GLY 364 N -2.53 0.25 0.21 7.13 0.00 -1.26 -1.90 107.32 109.22 3hl9 s GLY 364 Ca 0.14 -0.55 0.09 0.00 0.00 0.00 0.00 44.72 44.40 3hl9 s GLY 364 CO 0.10 1.67 -0.17 -0.32 0.00 0.00 0.00 173.10 174.39 3hl9 s GLY 365 N -3.33 1.51 0.01 0.20 0.00 0.17 -4.19 107.32 101.69 3hl9 s GLY 365 Ca 0.21 -1.65 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 3hl9 s GLY 365 CO 0.08 -1.73 0.45 0.61 0.00 0.00 0.00 173.10 172.51 3hl9 n GLY 366 N -0.20 -1.19 1.90 0.20 0.00 -1.26 -1.73 105.19 102.90 3hl9 n GLY 366 Ca -0.09 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 3hl9 n GLY 366 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hl9 n PRO 367 N -2.89 0.55 -2.72 1.61 -0.02 -1.26 -3.22 135.00 127.05 3hl9 n PRO 367 Ca 0.00 -0.11 -0.21 0.00 -2.02 0.00 0.00 63.50 61.17 3hl9 n PRO 367 Cb 0.02 -1.39 0.01 0.00 -0.02 0.00 0.00 33.50 32.13 3hl9 n PRO 367 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hl9 n ASN 368 N 2.02 -5.62 -4.70 2.55 3.02 -1.03 -3.09 115.26 108.42 3hl9 n ASN 368 Ca 0.05 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 3hl9 n ASN 368 Cb 0.27 -4.63 -0.04 0.00 -0.61 0.00 0.00 39.78 34.77 3hl9 n ASN 368 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hl9 s ILE 369 N -3.04 4.94 -0.04 2.41 1.01 -0.71 -3.98 121.20 121.78 3hl9 s ILE 369 Ca 0.15 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 3hl9 s ILE 369 Cb -0.07 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.29 3hl9 s ILE 369 CO 0.18 0.14 0.07 0.54 0.00 0.00 0.00 174.94 175.87 3hl9 s VAL 370 N 1.41 -0.12 0.31 2.92 0.11 -0.62 0.42 120.40 124.83 3hl9 s VAL 370 Ca 0.41 0.39 0.08 0.00 -2.93 0.00 0.00 61.98 59.93 3hl9 s VAL 370 Cb -0.18 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3hl9 s VAL 370 CO 0.18 0.16 0.13 -1.66 -3.33 0.00 0.00 175.10 170.58 3hl9 s TRP 371 N 2.01 2.78 -0.27 1.54 1.48 -0.80 -1.17 118.94 124.52 3hl9 s TRP 371 Ca 0.02 -0.30 -0.23 0.00 -1.06 0.00 0.00 56.10 54.54 3hl9 s TRP 371 Cb -0.12 -1.51 0.07 0.00 -1.16 0.00 0.00 33.47 30.75 3hl9 s TRP 371 CO -0.03 0.42 0.73 1.14 -4.06 0.00 0.00 176.95 175.14 3hl9 s GLN 372 N -3.82 0.80 -0.18 3.25 1.03 -0.25 -2.58 119.66 117.91 3hl9 s GLN 372 Ca 0.36 1.02 -0.02 0.00 0.04 0.00 0.00 55.36 56.76 3hl9 s GLN 372 Cb -0.05 0.35 -0.01 0.00 0.03 0.00 0.00 33.01 33.34 3hl9 s GLN 372 CO 0.23 -0.11 -0.10 0.42 -2.54 0.00 0.00 175.29 173.19 3hl9 s ILE 373 N 0.60 3.00 -0.39 3.63 -1.09 -0.50 -1.61 121.20 124.84 3hl9 s ILE 373 Ca -0.02 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 3hl9 s ILE 373 Cb -0.05 -2.31 0.11 0.00 -1.58 0.00 0.00 42.46 38.62 3hl9 s ILE 373 CO -0.03 0.48 0.12 -0.62 -1.23 0.00 0.00 174.94 173.66 3hl9 s ASP 374 N 1.05 4.82 0.15 3.58 -1.08 0.22 -0.21 116.67 125.21 3hl9 s ASP 374 Ca -0.00 -2.27 -0.10 0.00 -0.52 0.00 0.00 52.55 49.66 3hl9 s ASP 374 Cb -0.15 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.61 3hl9 s ASP 374 CO -0.02 -0.39 1.46 -0.65 0.52 0.00 0.00 175.17 176.09 3hl9 h PRO 375 N 7.53 0.87 -0.20 4.34 0.11 -1.87 -0.80 132.00 141.98 3hl9 h PRO 375 Ca -0.06 -0.50 -0.08 0.00 0.11 0.00 0.00 66.00 65.47 3hl9 h PRO 375 Cb 1.01 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hl9 h PRO 375 CO 0.58 1.14 -0.24 -0.22 -0.21 0.00 0.00 178.00 179.05 3hl9 h LYS 376 N 0.69 0.36 -0.00 1.05 3.64 -1.92 -2.05 116.57 118.32 3hl9 h LYS 376 Ca 0.04 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hl9 h LYS 376 Cb 1.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3hl9 h LYS 376 CO 0.11 0.58 -0.21 0.00 -2.27 0.00 0.00 179.45 177.65 3hl9 n ALA 377 N -2.48 2.93 -1.52 5.00 0.00 -1.16 -4.94 120.51 118.34 3hl9 n ALA 377 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 3hl9 n ALA 377 Cb 0.37 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 3hl9 n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hl9 n GLY 378 N 1.38 0.98 3.32 0.00 0.00 -0.38 -4.98 105.19 105.52 3hl9 n GLY 378 Ca 0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 3hl9 n GLY 378 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hl9 s LEU 379 N -2.78 2.53 -0.16 0.99 1.43 -0.77 -0.70 118.68 119.22 3hl9 s LEU 379 Ca 0.00 -1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 3hl9 s LEU 379 Cb 0.00 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.72 3hl9 s LEU 379 CO 0.00 -0.24 0.37 0.00 0.23 0.00 0.00 176.35 176.70 3hl9 s THR 381 N 1.78 1.58 -0.17 0.00 -4.23 -0.64 -1.73 115.64 112.22 3hl9 s THR 381 Ca -0.06 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 3hl9 s THR 381 Cb -0.10 -1.59 0.07 0.00 1.34 0.00 0.00 72.50 72.22 3hl9 s THR 381 CO -0.12 -0.26 0.14 -0.22 -0.54 0.00 0.00 174.62 173.62 3hl9 s LEU 382 N -2.29 0.14 -0.21 4.79 2.96 0.13 -1.09 118.68 123.12 3hl9 s LEU 382 Ca 0.09 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 3hl9 s LEU 382 Cb -0.07 0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 3hl9 s LEU 382 CO 0.04 -0.33 0.23 0.00 -1.32 0.00 0.00 176.35 174.97 3hl9 s ALA 383 N 2.22 3.61 -0.22 5.97 0.00 -0.31 -1.49 121.76 131.54 3hl9 s ALA 383 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3hl9 s ALA 383 Cb -0.16 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.66 3hl9 s ALA 383 CO -0.10 -0.07 -0.06 0.12 0.00 0.00 0.00 175.76 175.65 3hl9 s PHE 384 N 0.81 2.30 0.37 0.00 2.19 -0.01 -1.59 117.98 122.06 3hl9 s PHE 384 Ca 0.12 -1.65 0.08 0.00 0.33 0.00 0.00 56.93 55.82 3hl9 s PHE 384 Cb -0.13 -1.55 -0.07 0.00 -1.31 0.00 0.00 43.02 39.96 3hl9 s PHE 384 CO 0.03 -0.75 -0.04 -0.06 1.83 0.00 0.00 175.22 176.23 3hl9 s PHE 385 N 1.43 2.46 -0.38 10.12 0.08 -1.26 -1.52 117.98 128.91 3hl9 s PHE 385 Ca -0.04 -0.58 0.12 0.00 0.12 0.00 0.00 56.93 56.55 3hl9 s PHE 385 Cb -0.18 -1.57 0.43 0.00 -0.57 0.00 0.00 43.02 41.13 3hl9 s PHE 385 CO -0.07 0.52 1.01 1.04 -0.10 0.00 0.00 175.22 177.62 3hl9 n GLN 386 N -0.88 2.14 -4.69 0.44 1.13 -1.25 -4.53 117.38 109.75 3hl9 n GLN 386 Ca -0.05 -3.83 -0.25 0.00 -1.94 0.00 0.00 57.00 50.94 3hl9 n GLN 386 Cb 0.65 -1.71 -0.16 0.00 0.11 0.00 0.00 30.24 29.13 3hl9 n GLN 386 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3hl9 s LEU 387 N -3.27 1.82 0.14 1.08 2.96 -1.18 -2.32 118.68 117.91 3hl9 s LEU 387 Ca 0.37 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3hl9 s LEU 387 Cb 0.42 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 3hl9 s LEU 387 CO -0.07 0.10 0.00 -1.61 -1.32 0.00 0.00 176.35 173.46 3hl9 s GLU 388 N 0.24 2.47 0.65 1.98 0.41 0.92 -3.47 118.70 121.89 3hl9 s GLU 388 Ca -0.07 -0.98 -0.04 0.00 -0.41 0.00 0.00 54.97 53.47 3hl9 s GLU 388 Cb -0.12 -2.44 0.05 0.00 -1.78 0.00 0.00 34.13 29.84 3hl9 s GLU 388 CO 0.02 0.49 0.93 -1.25 -0.49 0.00 0.00 175.26 174.96 3hl9 s PRO 389 N -2.66 2.31 0.71 0.39 0.04 -1.26 -1.76 135.00 132.77 3hl9 s PRO 389 Ca 0.27 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 60.68 3hl9 s PRO 389 Cb -0.10 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3hl9 s PRO 389 CO 0.18 -1.05 0.44 1.87 0.04 0.00 0.00 177.00 178.49 3hl9 n TRP 390 N -2.71 -1.08 -3.38 0.56 -0.00 -1.20 -3.76 117.44 105.88 3hl9 n TRP 390 Ca 0.08 0.35 -0.18 0.00 -0.00 0.00 0.00 57.50 57.75 3hl9 n TRP 390 Cb 0.60 -1.89 0.07 0.00 -0.00 0.00 0.00 31.31 30.09 3hl9 n TRP 390 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3hl9 n ASN 391 N 0.04 -4.98 -4.77 5.87 5.15 -1.26 -4.98 115.26 110.32 3hl9 n ASN 391 Ca 0.10 -0.73 -0.39 0.00 -0.60 0.00 0.00 54.58 52.95 3hl9 n ASN 391 Cb 0.50 -4.89 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 3hl9 n ASN 391 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hl9 s ASP 392 N -3.70 7.20 0.19 1.20 -1.08 -1.25 -4.98 116.67 114.26 3hl9 s ASP 392 Ca 0.32 1.43 -0.12 0.00 -0.52 0.00 0.00 52.55 53.66 3hl9 s ASP 392 Cb -0.05 -2.44 0.20 0.00 -1.46 0.00 0.00 42.92 39.17 3hl9 s ASP 392 CO 0.76 0.16 1.76 -0.65 0.52 0.00 0.00 175.17 177.71 3hl9 h PRO 393 N 4.94 0.42 -0.14 4.34 0.11 -1.94 0.15 132.00 139.87 3hl9 h PRO 393 Ca -0.46 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 3hl9 h PRO 393 Cb 1.21 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3hl9 h PRO 393 CO 0.67 0.28 -0.77 -0.39 -0.21 0.00 0.00 178.00 177.57 3hl9 h VAL 394 N 0.43 1.29 -0.14 3.15 -1.51 -1.96 -1.61 116.25 115.90 3hl9 h VAL 394 Ca 0.26 -2.00 -0.01 0.00 -1.23 0.00 0.00 66.70 63.72 3hl9 h VAL 394 Cb 0.25 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3hl9 h VAL 394 CO -0.23 0.63 0.04 0.00 -1.23 0.00 0.00 177.57 176.77 3hl9 h ARG 396 N 0.03 0.64 -0.58 0.00 2.43 -0.99 0.23 114.38 116.14 3hl9 h ARG 396 Ca 0.04 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3hl9 h ARG 396 Cb 0.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3hl9 h ARG 396 CO -0.00 0.42 0.05 0.22 -1.51 0.00 0.00 179.97 179.15 3hl9 h ASP 397 N 0.66 0.92 -0.15 -3.80 3.58 -1.06 0.32 116.42 116.88 3hl9 h ASP 397 Ca 0.23 -0.22 -0.19 0.00 0.42 0.00 0.00 57.03 57.27 3hl9 h ASP 397 Cb 0.05 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 40.86 3hl9 h ASP 397 CO -0.11 0.94 -0.64 -0.07 -2.88 0.00 0.00 179.24 176.49 3hl9 h LEU 398 N 0.89 0.82 0.06 2.28 4.07 -0.60 -2.43 115.31 120.40 3hl9 h LEU 398 Ca 0.17 -0.62 -0.00 0.00 0.08 0.00 0.00 57.88 57.51 3hl9 h LEU 398 Cb 0.45 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3hl9 h LEU 398 CO 0.02 1.30 -0.03 0.74 -1.08 0.00 0.00 178.44 179.39 3hl9 h THR 399 N 0.39 1.01 -0.66 0.22 2.02 -0.35 0.29 112.91 115.83 3hl9 h THR 399 Ca -0.04 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.02 3hl9 h THR 399 Cb 1.27 1.14 -0.11 0.00 -1.74 0.00 0.00 68.15 68.71 3hl9 h THR 399 CO 0.13 0.05 -0.47 0.03 0.37 0.00 0.00 175.52 175.63 3hl9 h ARG 400 N -0.17 -0.19 0.00 6.66 2.47 -0.39 -1.17 114.38 121.58 3hl9 h ARG 400 Ca -0.01 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hl9 h ARG 400 Cb 0.15 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3hl9 h ARG 400 CO 0.01 -0.13 0.00 0.25 0.56 0.00 0.00 179.97 180.67 3hl9 n THR 401 N -5.38 0.53 0.24 2.04 -2.24 -0.91 -1.95 114.28 106.60 3hl9 n THR 401 Ca 0.02 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 3hl9 n THR 401 Cb 0.34 -0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 67.88 3hl9 n THR 401 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3hl9 h PHE 402 N 0.00 -0.59 0.20 4.78 3.57 0.71 -2.89 116.94 122.73 3hl9 h PHE 402 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hl9 h PHE 402 Cb 0.68 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3hl9 h PHE 402 CO 0.00 -0.28 -0.10 0.93 -2.23 0.00 0.00 178.31 176.64 3hl9 h GLU 403 N -1.02 -0.26 -0.97 1.11 5.08 -1.13 -1.92 114.58 115.47 3hl9 h GLU 403 Ca -0.07 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.60 3hl9 h GLU 403 Cb 0.58 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.71 3hl9 h GLU 403 CO 0.11 -0.13 0.10 0.72 -1.00 0.00 0.00 179.01 178.80 3hl9 n HIS 404 N -5.18 0.69 0.12 4.33 8.25 -0.82 -0.58 115.22 122.04 3hl9 n HIS 404 Ca -0.09 1.16 -0.09 0.00 -0.26 0.00 0.00 57.72 58.44 3hl9 n HIS 404 Cb 0.15 -1.27 -0.06 0.00 1.12 0.00 0.00 29.99 29.93 3hl9 n HIS 404 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hl9 h ALA 405 N 1.93 -0.38 0.00 -1.41 0.00 -1.14 -2.55 119.26 115.71 3hl9 h ALA 405 Ca 0.62 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 3hl9 h ALA 405 Cb 1.35 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3hl9 h ALA 405 CO -0.88 -0.41 -0.24 -0.84 0.00 0.00 0.00 179.25 176.88 3hl9 h ILE 406 N -1.01 1.12 -0.85 0.00 -0.00 -1.22 -1.31 117.51 114.25 3hl9 h ILE 406 Ca -0.04 -0.85 -0.02 0.00 -0.00 0.00 0.00 64.86 63.95 3hl9 h ILE 406 Cb 0.46 1.47 -0.04 0.00 -0.00 0.00 0.00 36.82 38.70 3hl9 h ILE 406 CO 0.06 0.24 0.45 1.88 -0.00 0.00 0.00 178.15 180.79 3hl9 h TYR 407 N 0.00 1.18 0.20 0.16 -1.99 -0.91 -2.33 116.97 113.28 3hl9 h TYR 407 Ca -0.00 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3hl9 h TYR 407 Cb 0.45 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3hl9 h TYR 407 CO 0.00 0.83 -0.09 0.00 -0.00 0.00 0.00 178.16 178.90 3hl9 h ALA 408 N 1.24 -0.26 -0.17 3.88 0.00 -0.91 -2.21 119.26 120.83 3hl9 h ALA 408 Ca 0.30 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hl9 h ALA 408 Cb 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3hl9 h ALA 408 CO -0.05 -0.27 -0.27 0.37 0.00 0.00 0.00 179.25 179.04 3hl9 h GLN 409 N -1.03 -0.31 0.10 0.00 4.15 -1.38 -1.98 115.11 114.66 3hl9 h GLN 409 Ca -0.03 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hl9 h GLN 409 Cb 0.33 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3hl9 h GLN 409 CO 0.04 -0.20 -0.10 -0.92 -1.93 0.00 0.00 178.83 175.72 3hl9 h TYR 410 N -0.32 -0.27 0.00 3.99 3.20 -1.53 -2.12 116.97 119.93 3hl9 h TYR 410 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3hl9 h TYR 410 Cb 0.49 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hl9 h TYR 410 CO -0.38 -0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.01 3hl9 n GLN 411 N -2.87 0.11 -0.23 1.82 10.64 -0.83 -3.12 117.38 122.90 3hl9 n GLN 411 Ca -0.02 0.21 0.04 0.00 -1.83 0.00 0.00 57.00 55.40 3hl9 n GLN 411 Cb 0.09 -1.66 0.06 0.00 -0.86 0.00 0.00 30.24 27.86 3hl9 n GLN 411 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hl9 n GLN 412 N -1.87 0.82 0.00 2.61 6.02 -0.75 -5.08 117.38 119.13 3hl9 n GLN 412 Ca 0.05 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 3hl9 n GLN 412 Cb 0.30 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.59 3hl9 n GLN 412 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46