#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsi s ASN 4 N 0.00 4.89 0.55 4.38 2.20 -1.26 -4.80 114.94 120.91 3hsi s ASN 4 Ca 0.00 1.93 0.25 0.00 -0.94 0.00 0.00 52.86 54.10 3hsi s ASN 4 Cb 0.00 -2.54 1.34 0.00 -2.00 0.00 0.00 41.25 38.05 3hsi s ASN 4 CO 0.00 -1.78 1.72 0.07 -2.94 0.00 0.00 177.10 174.18 3hsi h LYS 5 N -0.39 0.00 0.17 3.55 5.09 -2.03 -0.96 116.57 122.00 3hsi h LYS 5 Ca -0.46 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 59.95 3hsi h LYS 5 Cb 1.24 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.58 3hsi h LYS 5 CO 0.53 0.00 -1.66 1.15 -2.09 0.00 0.00 179.45 177.38 3hsi h THR 6 N 0.00 0.97 -0.47 0.07 2.02 -1.92 -2.03 112.91 111.54 3hsi h THR 6 Ca 0.00 -2.49 -0.05 0.00 0.77 0.00 0.00 66.41 64.64 3hsi h THR 6 Cb 0.62 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 3hsi h THR 6 CO 0.00 0.82 0.10 0.11 0.37 0.00 0.00 175.52 176.93 3hsi h LYS 7 N 0.01 0.76 -0.71 6.66 1.57 -1.57 -2.32 116.57 120.97 3hsi h LYS 7 Ca -0.33 -0.19 0.12 0.00 -1.87 0.00 0.00 60.65 58.38 3hsi h LYS 7 Cb 2.02 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 34.15 3hsi h LYS 7 CO 0.15 0.75 0.28 0.00 -0.57 0.00 0.00 179.45 180.07 3hsi h ARG 8 N 0.64 0.44 -0.41 3.15 3.08 -1.32 -1.98 114.38 117.97 3hsi h ARG 8 Ca 0.15 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3hsi h ARG 8 Cb 0.34 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3hsi h ARG 8 CO 0.00 0.29 0.27 0.00 -1.07 0.00 0.00 179.97 179.46 3hsi h ALA 9 N 1.50 0.52 -0.85 0.04 0.00 -1.05 -1.77 119.26 117.64 3hsi h ALA 9 Ca 0.38 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.35 3hsi h ALA 9 Cb 0.52 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3hsi h ALA 9 CO -0.36 -0.03 0.50 1.49 0.00 0.00 0.00 179.25 180.85 3hsi h GLU 10 N 0.55 0.83 -0.00 0.00 4.81 -0.86 -1.09 114.58 118.82 3hsi h GLU 10 Ca 0.15 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3hsi h GLU 10 Cb -0.05 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 3hsi h GLU 10 CO -0.04 0.55 -0.00 1.96 -0.73 0.00 0.00 179.01 180.75 3hsi h GLN 11 N 0.86 0.01 -0.38 1.92 4.20 -1.08 -0.72 115.11 119.92 3hsi h GLN 11 Ca 0.40 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.19 3hsi h GLN 11 Cb 0.33 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 3hsi h GLN 11 CO -0.23 0.43 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.33 3hsi h ASN 12 N -0.41 -0.42 -0.65 1.46 2.35 -1.18 0.38 115.58 117.11 3hsi h ASN 12 Ca 0.00 0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3hsi h ASN 12 Cb 0.42 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 3hsi h ASN 12 CO 0.00 -0.15 0.41 -0.07 -1.65 0.00 0.00 177.43 175.97 3hsi h LEU 13 N -0.03 0.69 -1.93 1.61 3.38 -1.08 -2.38 115.31 115.56 3hsi h LEU 13 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3hsi h LEU 13 Cb 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hsi h LEU 13 CO -0.41 0.48 -0.10 0.78 0.09 0.00 0.00 178.44 179.28 3hsi h ASN 14 N 0.82 0.00 0.38 -0.43 2.35 -0.41 -1.44 115.58 116.85 3hsi h ASN 14 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3hsi h ASN 14 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3hsi h ASN 14 CO -0.09 0.10 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 3hsi n ASN 15 N -4.09 0.00 -4.75 5.81 3.02 0.06 -4.07 115.26 111.23 3hsi n ASN 15 Ca -0.02 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 3hsi n ASN 15 Cb 0.19 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 3hsi n ASN 15 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hsi s LEU 16 N -2.48 4.51 0.19 3.41 1.43 -0.55 -4.98 118.68 120.22 3hsi s LEU 16 Ca 0.25 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.37 3hsi s LEU 16 Cb 0.16 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 3hsi s LEU 16 CO 0.36 -0.26 0.97 -2.16 0.23 0.00 0.00 176.35 175.49 3hsi s PRO 17 N -1.17 4.77 -0.04 1.29 0.04 -1.26 -4.44 135.00 134.19 3hsi s PRO 17 Ca 0.47 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3hsi s PRO 17 Cb -0.33 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.91 3hsi s PRO 17 CO 0.42 0.36 -0.11 -0.06 0.04 0.00 0.00 177.00 177.65 3hsi s PHE 18 N -0.70 1.17 -0.15 0.56 0.08 -0.45 -4.51 117.98 113.96 3hsi s PHE 18 Ca 0.44 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 57.04 3hsi s PHE 18 Cb -0.26 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 3hsi s PHE 18 CO 0.32 -0.15 0.22 -1.17 -0.10 0.00 0.00 175.22 174.34 3hsi s LEU 19 N 0.31 4.28 0.47 -0.37 2.96 -0.06 -1.88 118.68 124.38 3hsi s LEU 19 Ca -0.06 0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 54.06 3hsi s LEU 19 Cb -0.11 -2.24 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 3hsi s LEU 19 CO 0.01 0.20 1.18 0.00 -1.32 0.00 0.00 176.35 176.43 3hsi s ALA 20 N 0.02 2.95 -0.05 5.97 0.00 -1.26 -0.29 121.76 129.10 3hsi s ALA 20 Ca 0.14 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 3hsi s ALA 20 Cb -0.12 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3hsi s ALA 20 CO 0.03 -0.73 0.13 -1.17 0.00 0.00 0.00 175.76 174.02 3hsi s LEU 21 N -3.09 1.32 0.07 0.00 2.96 -0.03 -4.84 118.68 115.07 3hsi s LEU 21 Ca 0.64 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.66 3hsi s LEU 21 Cb -0.30 0.41 -0.06 0.00 0.50 0.00 0.00 46.19 46.74 3hsi s LEU 21 CO 0.36 -0.07 0.50 -1.10 -1.32 0.00 0.00 176.35 174.72 3hsi s GLN 22 N 0.35 4.03 0.25 1.98 -1.52 -1.26 -4.46 119.66 119.03 3hsi s GLN 22 Ca -0.02 0.54 -0.04 0.00 -1.95 0.00 0.00 55.36 53.89 3hsi s GLN 22 Cb -0.04 -3.14 0.48 0.00 -0.22 0.00 0.00 33.01 30.09 3hsi s GLN 22 CO -0.01 0.61 1.70 0.00 -0.25 0.00 0.00 175.29 177.33 3hsi h ALA 23 N 4.30 1.01 -0.78 6.09 0.00 -1.93 0.25 119.26 128.20 3hsi h ALA 23 Ca -0.50 0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.79 3hsi h ALA 23 Cb 1.21 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3hsi h ALA 23 CO 0.64 -0.31 0.60 0.93 0.00 0.00 0.00 179.25 181.11 3hsi h GLU 24 N 0.32 0.00 -0.01 0.00 5.08 -1.97 -1.81 114.58 116.19 3hsi h GLU 24 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hsi h GLU 24 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hsi h GLU 24 CO -0.49 0.00 -0.16 1.04 -1.00 0.00 0.00 179.01 178.40 3hsi n GLN 25 N -4.14 0.74 -5.22 2.33 6.02 0.88 -4.80 117.38 113.18 3hsi n GLN 25 Ca 0.16 -0.33 -0.32 0.00 -0.01 0.00 0.00 57.00 56.50 3hsi n GLN 25 Cb 0.89 -1.49 -0.17 0.00 1.02 0.00 0.00 30.24 30.48 3hsi n GLN 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hsi s ILE 26 N -2.49 2.05 -0.11 5.09 1.01 -0.68 -0.94 121.20 125.13 3hsi s ILE 26 Ca 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3hsi s ILE 26 Cb 0.20 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.92 3hsi s ILE 26 CO 0.49 0.56 -0.10 -0.70 0.00 0.00 0.00 174.94 175.19 3hsi s GLU 27 N 0.24 1.73 -0.37 2.79 2.12 -0.19 -4.96 118.70 120.05 3hsi s GLU 27 Ca -0.16 -0.34 -0.24 0.00 0.36 0.00 0.00 54.97 54.58 3hsi s GLU 27 Cb -0.17 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.56 3hsi s GLU 27 CO 0.08 -0.21 0.84 -0.06 -0.54 0.00 0.00 175.26 175.36 3hsi s PHE 28 N 1.50 3.09 0.43 5.30 0.40 -1.26 -0.61 117.98 126.82 3hsi s PHE 28 Ca 0.02 0.61 -0.23 0.00 -0.60 0.00 0.00 56.93 56.73 3hsi s PHE 28 Cb -0.13 -3.52 -0.09 0.00 0.51 0.00 0.00 43.02 39.79 3hsi s PHE 28 CO -0.07 -0.79 1.05 -0.51 0.70 0.00 0.00 175.22 175.59 3hsi s LEU 29 N 3.27 4.05 0.21 -0.37 1.43 0.81 -4.99 118.68 123.09 3hsi s LEU 29 Ca 0.34 2.01 0.15 0.00 -1.03 0.00 0.00 54.13 55.59 3hsi s LEU 29 Cb -0.13 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 3hsi s LEU 29 CO 0.18 -0.58 1.26 1.23 0.23 0.00 0.00 176.35 178.67 3hsi h GLY 30 N 2.20 0.00 -2.36 -3.19 0.00 -1.97 -3.41 103.07 94.34 3hsi h GLY 30 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.88 3hsi h GLY 30 CO 0.61 0.00 0.20 -1.35 0.00 0.00 0.00 176.54 176.00 3hsi s SER 31 N -6.28 -0.35 0.43 0.19 1.04 -1.26 -5.03 113.70 102.44 3hsi s SER 31 Ca 0.02 -0.41 0.19 0.00 0.48 0.00 0.00 55.95 56.22 3hsi s SER 31 Cb 0.08 0.68 1.00 0.00 0.10 0.00 0.00 66.02 67.87 3hsi s SER 31 CO 0.77 -1.20 1.92 0.77 0.98 0.00 0.00 173.24 176.47 3hsi h SER 32 N 2.02 0.00 -0.35 7.02 4.64 -1.90 -1.28 113.55 123.70 3hsi h SER 32 Ca -0.25 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.93 3hsi h SER 32 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3hsi h SER 32 CO 0.29 0.26 -0.34 0.00 -0.87 0.00 0.00 176.83 176.17 3hsi h ALA 33 N 1.74 0.51 -0.64 5.18 0.00 -1.88 -1.62 119.26 122.56 3hsi h ALA 33 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3hsi h ALA 33 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hsi h ALA 33 CO 0.03 0.58 0.05 1.49 0.00 0.00 0.00 179.25 181.40 3hsi h GLU 34 N 0.63 1.09 -0.23 0.00 4.81 -1.85 -2.08 114.58 116.96 3hsi h GLU 34 Ca 0.06 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3hsi h GLU 34 Cb 0.93 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 3hsi h GLU 34 CO 0.08 1.03 -0.23 0.35 -0.73 0.00 0.00 179.01 179.52 3hsi h PHE 35 N 1.00 -0.60 -0.26 0.92 3.57 -1.11 -0.08 116.94 120.38 3hsi h PHE 35 Ca 0.19 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3hsi h PHE 35 Cb 0.51 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3hsi h PHE 35 CO 0.04 -0.31 -0.06 -0.22 -2.23 0.00 0.00 178.31 175.53 3hsi h LYS 36 N -0.24 0.01 -0.84 1.11 3.64 -1.14 -1.09 116.57 118.01 3hsi h LYS 36 Ca 0.13 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 3hsi h LYS 36 Cb 0.44 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3hsi h LYS 36 CO -0.37 0.01 0.55 1.15 -2.27 0.00 0.00 179.45 178.52 3hsi h THR 37 N 0.01 0.94 0.03 1.00 2.02 -0.98 -2.36 112.91 113.57 3hsi h THR 37 Ca 0.12 -0.27 -0.25 0.00 0.77 0.00 0.00 66.41 66.78 3hsi h THR 37 Cb 0.18 0.09 0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3hsi h THR 37 CO -0.26 0.14 -0.99 1.56 0.37 0.00 0.00 175.52 176.34 3hsi h GLN 38 N 0.79 0.62 -0.66 6.66 1.08 -0.27 -1.99 115.11 121.33 3hsi h GLN 38 Ca 0.39 -0.71 0.08 0.00 -1.45 0.00 0.00 58.65 56.96 3hsi h GLN 38 Cb 0.46 0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.04 3hsi h GLN 38 CO -0.16 1.29 0.33 0.82 -0.95 0.00 0.00 178.83 180.16 3hsi h ILE 39 N 0.25 0.89 0.09 2.54 2.04 -0.86 0.22 117.51 122.68 3hsi h ILE 39 Ca -0.13 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hsi h ILE 39 Cb 1.67 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3hsi h ILE 39 CO 0.19 0.11 -0.04 0.40 0.00 0.00 0.00 178.15 178.81 3hsi h ILE 40 N 0.59 1.14 -0.83 -0.67 2.04 -1.42 0.12 117.51 118.48 3hsi h ILE 40 Ca 0.31 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.34 3hsi h ILE 40 Cb 0.29 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 3hsi h ILE 40 CO -0.23 0.22 0.51 -0.33 0.00 0.00 0.00 178.15 178.31 3hsi h GLU 41 N -0.53 0.90 -0.54 2.37 5.08 -1.24 0.25 114.58 120.86 3hsi h GLU 41 Ca -0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3hsi h GLU 41 Cb 0.45 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3hsi h GLU 41 CO 0.02 0.59 0.00 -0.07 -1.00 0.00 0.00 179.01 178.56 3hsi h LEU 42 N 0.92 0.89 -0.12 1.33 3.38 -0.45 -1.14 115.31 120.12 3hsi h LEU 42 Ca 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3hsi h LEU 42 Cb 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hsi h LEU 42 CO -0.18 0.95 -0.08 0.40 0.09 0.00 0.00 178.44 179.62 3hsi h ILE 43 N 0.85 1.33 0.00 1.22 2.04 -0.27 -2.61 117.51 120.07 3hsi h ILE 43 Ca 0.16 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3hsi h ILE 43 Cb 0.50 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3hsi h ILE 43 CO 0.02 0.33 -0.02 0.03 0.00 0.00 0.00 178.15 178.51 3hsi h ARG 44 N -0.09 0.00 -0.02 2.37 3.08 -0.32 -2.49 114.38 116.91 3hsi h ARG 44 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hsi h ARG 44 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3hsi h ARG 44 CO 0.02 0.02 -0.29 0.09 -1.07 0.00 0.00 179.97 178.74 3hsi n ASN 45 N -4.38 1.82 -4.74 7.04 3.02 -0.45 -4.96 115.26 112.61 3hsi n ASN 45 Ca -0.03 -1.40 -0.41 0.00 -0.03 0.00 0.00 54.58 52.71 3hsi n ASN 45 Cb 0.11 0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 3hsi n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsi s ALA 46 N -2.36 3.59 -0.00 5.41 0.00 -0.94 -4.93 121.76 122.52 3hsi s ALA 46 Ca 0.24 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3hsi s ALA 46 Cb 0.19 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3hsi s ALA 46 CO 0.49 -0.65 0.01 1.63 0.00 0.00 0.00 175.76 177.24 3hsi n LYS 47 N 2.66 3.68 0.00 0.00 5.02 -1.26 -4.93 118.16 123.33 3hsi n LYS 47 Ca 0.07 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hsi n LYS 47 Cb 0.41 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 3hsi n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hsi n LYS 48 N -1.24 0.00 -3.81 1.97 5.02 -1.26 -4.74 118.16 114.10 3hsi n LYS 48 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3hsi n LYS 48 Cb 0.00 -0.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.62 3hsi n LYS 48 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3hsi s ARG 49 N -2.00 0.65 -0.18 1.97 1.70 -1.26 -1.58 118.95 118.26 3hsi s ARG 49 Ca 0.00 -0.40 -0.03 0.00 -0.47 0.00 0.00 55.73 54.83 3hsi s ARG 49 Cb 0.00 0.28 0.06 0.00 -0.57 0.00 0.00 34.95 34.71 3hsi s ARG 49 CO 0.00 -0.18 0.04 0.42 -1.08 0.00 0.00 175.30 174.50 3hsi s ILE 50 N -1.82 0.38 -0.17 4.99 1.01 0.16 -1.22 121.20 124.52 3hsi s ILE 50 Ca -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3hsi s ILE 50 Cb -0.04 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3hsi s ILE 50 CO 0.01 -0.17 -0.04 -0.31 0.00 0.00 0.00 174.94 174.42 3hsi s TYR 51 N 1.93 2.98 -0.12 3.97 2.02 0.13 -1.10 117.35 127.16 3hsi s TYR 51 Ca 0.00 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3hsi s TYR 51 Cb -0.16 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3hsi s TYR 51 CO -0.08 -0.19 -0.13 0.08 -1.57 0.00 0.00 175.55 173.66 3hsi s VAL 52 N 0.68 1.38 -0.12 0.71 1.01 -0.14 0.96 120.40 124.89 3hsi s VAL 52 Ca -0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3hsi s VAL 52 Cb -0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3hsi s VAL 52 CO 0.02 0.42 0.06 0.42 0.00 0.00 0.00 175.10 176.02 3hsi s THR 53 N 1.32 4.77 0.19 3.92 -4.23 -0.64 0.66 115.64 121.62 3hsi s THR 53 Ca -0.00 -0.06 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 3hsi s THR 53 Cb -0.14 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 70.70 3hsi s THR 53 CO -0.06 0.58 0.62 0.00 -0.54 0.00 0.00 174.62 175.22 3hsi s ALA 54 N -0.68 -1.52 0.10 3.99 0.00 -0.79 -3.87 121.76 119.00 3hsi s ALA 54 Ca 0.12 0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.15 3hsi s ALA 54 Cb -0.12 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 23.77 3hsi s ALA 54 CO 0.02 -0.83 1.70 1.25 0.00 0.00 0.00 175.76 177.91 3hsi h LEU 55 N 2.00 -0.27 -7.43 0.00 5.85 -1.83 -3.30 115.31 110.33 3hsi h LEU 55 Ca -0.31 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3hsi h LEU 55 Cb 1.30 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.32 3hsi h LEU 55 CO 0.35 -0.15 0.05 -0.72 -0.34 0.00 0.00 178.44 177.63 3hsi s TYR 56 N -6.15 -0.25 -0.21 1.25 -0.85 -1.26 -2.28 117.35 107.60 3hsi s TYR 56 Ca -0.14 -0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.33 3hsi s TYR 56 Cb 0.07 0.41 0.06 0.00 0.38 0.00 0.00 41.96 42.88 3hsi s TYR 56 CO 0.66 -0.85 0.03 -0.46 -1.52 0.00 0.00 175.55 173.41 3hsi s TRP 57 N -3.82 1.23 0.21 -3.49 -0.11 -1.26 -2.91 118.94 108.79 3hsi s TRP 57 Ca 0.05 -1.03 -0.28 0.00 1.22 0.00 0.00 56.10 56.07 3hsi s TRP 57 Cb -0.00 -1.14 -0.09 0.00 -1.50 0.00 0.00 33.47 30.74 3hsi s TRP 57 CO -0.08 -0.65 0.86 -1.14 -4.62 0.00 0.00 176.95 171.32 3hsi s GLN 58 N 1.79 4.72 -1.22 5.86 2.00 0.26 -4.89 119.66 128.18 3hsi s GLN 58 Ca -0.01 1.33 -0.21 0.00 -2.00 0.00 0.00 55.36 54.47 3hsi s GLN 58 Cb -0.17 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 3hsi s GLN 58 CO -0.09 0.54 1.88 0.36 -0.50 0.00 0.00 175.29 177.48 3hsi n LYS 59 N 1.54 2.06 -1.88 1.67 2.85 -1.26 -3.86 118.16 119.29 3hsi n LYS 59 Ca -0.04 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 3hsi n LYS 59 Cb 0.48 -3.65 0.00 0.00 -0.65 0.00 0.00 35.03 31.21 3hsi n LYS 59 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3hsi n ASP 60 N 12.54 0.02 -0.16 -5.58 5.68 -1.26 -4.97 116.55 122.82 3hsi n ASP 60 Ca 0.46 -0.94 -0.08 0.00 -0.50 0.00 0.00 54.79 53.73 3hsi n ASP 60 Cb 0.46 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.45 3hsi n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hsi h GLU 61 N 0.00 0.67 0.01 0.11 3.07 -1.98 0.93 114.58 117.40 3hsi h GLU 61 Ca 0.00 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3hsi h GLU 61 Cb 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3hsi h GLU 61 CO 0.00 0.56 -0.00 0.00 -1.40 0.00 0.00 179.01 178.16 3hsi h ALA 62 N 1.08 -0.01 -0.64 3.43 0.00 -1.90 -1.13 119.26 120.08 3hsi h ALA 62 Ca 0.16 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3hsi h ALA 62 Cb 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 3hsi h ALA 62 CO -0.02 -0.40 0.17 0.78 0.00 0.00 0.00 179.25 179.77 3hsi h GLY 63 N -0.22 0.85 1.02 0.00 0.00 -1.63 0.13 103.07 103.22 3hsi h GLY 63 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3hsi h GLY 63 CO 0.00 -0.11 0.53 -1.61 0.00 0.00 0.00 176.54 175.35 3hsi h GLN 64 N 0.30 1.24 -0.14 4.80 5.75 -0.64 -1.43 115.11 124.99 3hsi h GLN 64 Ca 0.34 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 3hsi h GLN 64 Cb 0.51 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 3hsi h GLN 64 CO -0.41 0.87 -0.24 1.49 -2.65 0.00 0.00 178.83 177.89 3hsi h GLU 65 N 1.25 0.42 -0.71 1.69 4.81 -0.25 0.63 114.58 122.41 3hsi h GLU 65 Ca 0.32 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3hsi h GLU 65 Cb -0.03 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3hsi h GLU 65 CO -0.06 0.85 0.31 0.82 -0.73 0.00 0.00 179.01 180.20 3hsi h ILE 66 N 0.03 1.24 -0.77 2.32 1.08 -1.00 -2.42 117.51 118.00 3hsi h ILE 66 Ca 0.01 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 3hsi h ILE 66 Cb 0.82 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 3hsi h ILE 66 CO 0.06 0.30 0.38 0.25 -0.69 0.00 0.00 178.15 178.44 3hsi h LEU 67 N 1.01 0.99 -0.59 1.44 5.85 -1.12 -2.41 115.31 120.48 3hsi h LEU 67 Ca 0.24 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3hsi h LEU 67 Cb 0.18 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3hsi h LEU 67 CO -0.02 0.84 0.27 0.44 -0.34 0.00 0.00 178.44 179.62 3hsi h ASP 68 N 1.07 0.34 -0.85 1.25 3.32 -0.67 -1.74 116.42 119.13 3hsi h ASP 68 Ca 0.26 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.40 3hsi h ASP 68 Cb 0.10 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3hsi h ASP 68 CO -0.04 0.21 0.55 -0.33 -1.72 0.00 0.00 179.24 177.92 3hsi h GLU 69 N 0.49 1.05 -0.45 3.56 4.39 -1.08 -0.87 114.58 121.66 3hsi h GLU 69 Ca 0.28 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 3hsi h GLU 69 Cb 0.27 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3hsi h GLU 69 CO -0.23 0.69 0.27 0.82 -1.16 0.00 0.00 179.01 179.39 3hsi h ILE 70 N 1.08 1.15 -0.42 3.13 5.03 -0.92 -1.93 117.51 124.62 3hsi h ILE 70 Ca 0.34 -0.35 -0.07 0.00 -0.12 0.00 0.00 64.86 64.65 3hsi h ILE 70 Cb -0.01 0.56 -0.02 0.00 -3.03 0.00 0.00 36.82 34.33 3hsi h ILE 70 CO -0.11 0.15 -0.03 1.88 -0.68 0.00 0.00 178.15 179.36 3hsi h TYR 71 N 0.60 0.75 0.14 1.37 0.05 -1.09 -0.90 116.97 117.89 3hsi h TYR 71 Ca 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3hsi h TYR 71 Cb 0.01 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.55 3hsi h TYR 71 CO -0.03 0.73 -0.07 -0.09 -1.05 0.00 0.00 178.16 177.65 3hsi h ARG 72 N 0.66 -0.18 -0.24 4.88 2.43 -0.93 -2.69 114.38 118.30 3hsi h ARG 72 Ca 0.13 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3hsi h ARG 72 Cb 0.46 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hsi h ARG 72 CO 0.02 -0.00 -0.17 0.28 -1.51 0.00 0.00 179.97 178.59 3hsi h VAL 73 N -0.33 1.23 0.00 0.20 2.07 -1.31 -2.20 116.25 115.92 3hsi h VAL 73 Ca -0.02 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hsi h VAL 73 Cb 0.26 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hsi h VAL 73 CO 0.03 0.34 -0.02 0.11 0.02 0.00 0.00 177.57 178.05 3hsi h LYS 74 N 0.38 0.00 0.01 1.57 1.79 -1.14 0.31 116.57 119.49 3hsi h LYS 74 Ca 0.07 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.29 3hsi h LYS 74 Cb 0.52 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3hsi h LYS 74 CO 0.03 0.02 -1.29 1.96 -1.08 0.00 0.00 179.45 179.09 3hsi h GLN 75 N 0.00 0.02 0.00 3.15 4.20 -1.06 -3.12 115.11 118.30 3hsi h GLN 75 Ca -0.00 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3hsi h GLN 75 Cb 0.04 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3hsi h GLN 75 CO 0.00 0.84 -0.67 0.93 -0.67 0.00 0.00 178.83 179.26 3hsi h GLU 76 N 0.01 0.00 -2.94 1.46 5.08 -1.14 -3.41 114.58 113.64 3hsi h GLU 76 Ca -0.12 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.62 3hsi h GLU 76 Cb 1.88 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.72 3hsi h GLU 76 CO 0.12 0.67 -0.73 -0.80 -1.00 0.00 0.00 179.01 177.27 3hsi s ASN 77 N -6.55 3.63 0.55 1.42 0.01 0.06 -4.98 114.94 109.07 3hsi s ASN 77 Ca 0.03 -3.05 0.32 0.00 -0.71 0.00 0.00 52.86 49.45 3hsi s ASN 77 Cb 0.09 -1.14 1.53 0.00 0.41 0.00 0.00 41.25 42.13 3hsi s ASN 77 CO 0.77 -0.20 2.06 1.55 -1.51 0.00 0.00 177.10 179.77 3hsi h PRO 78 N 6.18 0.00 -0.02 -0.60 0.13 -1.78 -2.37 132.00 133.54 3hsi h PRO 78 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3hsi h PRO 78 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hsi h PRO 78 CO 0.54 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.10 3hsi n HIS 79 N -3.31 0.00 -1.68 1.56 8.25 -1.26 -4.91 115.22 113.87 3hsi n HIS 79 Ca -0.01 -0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.95 3hsi n HIS 79 Cb 0.26 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 3hsi n HIS 79 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3hsi n LEU 80 N 0.28 3.04 -4.57 2.41 7.94 -0.89 -4.93 117.00 120.28 3hsi n LEU 80 Ca 0.19 1.02 -0.42 0.00 -1.11 0.00 0.00 56.01 55.68 3hsi n LEU 80 Cb 0.38 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 42.98 3hsi n LEU 80 CO 0.16 -0.24 1.04 -0.62 -1.11 0.00 0.00 177.39 176.63 3hsi s ASP 81 N 3.27 6.41 -0.19 1.96 2.15 -0.61 -4.99 116.67 124.66 3hsi s ASP 81 Ca 0.91 -0.00 -0.02 0.00 0.43 0.00 0.00 52.55 53.87 3hsi s ASP 81 Cb -0.79 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.29 3hsi s ASP 81 CO 0.53 -1.47 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.27 3hsi s VAL 82 N 4.86 3.07 -0.07 1.11 1.01 -1.26 -0.67 120.40 128.45 3hsi s VAL 82 Ca 0.41 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3hsi s VAL 82 Cb -0.08 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3hsi s VAL 82 CO 0.24 0.47 -0.05 -0.54 0.00 0.00 0.00 175.10 175.22 3hsi s LYS 83 N 1.21 1.06 -0.25 2.72 1.02 -0.26 -4.92 119.74 120.32 3hsi s LYS 83 Ca 0.02 -0.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.84 3hsi s LYS 83 Cb -0.14 -1.16 -0.00 0.00 -0.52 0.00 0.00 37.83 36.01 3hsi s LYS 83 CO -0.03 -0.19 0.02 0.08 -0.92 0.00 0.00 175.35 174.30 3hsi s VAL 84 N 1.44 3.69 -0.24 3.17 1.01 -1.26 -0.97 120.40 127.24 3hsi s VAL 84 Ca -0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3hsi s VAL 84 Cb -0.13 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3hsi s VAL 84 CO -0.03 0.28 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 3hsi s LEU 85 N 1.50 3.51 0.30 3.92 1.02 0.21 -0.17 118.68 128.97 3hsi s LEU 85 Ca 0.04 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.07 3hsi s LEU 85 Cb -0.16 -1.94 -0.06 0.00 0.02 0.00 0.00 46.19 44.06 3hsi s LEU 85 CO -0.00 -0.01 0.03 0.27 0.02 0.00 0.00 176.35 176.66 3hsi s ILE 86 N 1.47 1.18 0.05 -0.59 -0.00 0.01 -1.89 121.20 121.43 3hsi s ILE 86 Ca 0.06 -2.02 -0.30 0.00 -0.00 0.00 0.00 60.65 58.38 3hsi s ILE 86 Cb -0.15 -2.65 -0.08 0.00 -0.00 0.00 0.00 42.46 39.58 3hsi s ILE 86 CO 0.04 -0.10 1.70 -0.62 -0.00 0.00 0.00 174.94 175.96 3hsi s ASP 87 N -3.43 6.58 0.19 4.36 2.15 -0.96 -0.84 116.67 124.71 3hsi s ASP 87 Ca 0.34 2.49 -0.17 0.00 0.43 0.00 0.00 52.55 55.64 3hsi s ASP 87 Cb 0.07 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.30 3hsi s ASP 87 CO 0.14 -0.92 1.62 -0.25 -0.17 0.00 0.00 175.17 175.59 3hsi h TRP 88 N 8.75 -0.52 -0.01 -5.34 2.91 -1.60 -1.94 115.95 118.20 3hsi h TRP 88 Ca -0.43 0.06 -0.07 0.00 1.13 0.00 0.00 58.89 59.57 3hsi h TRP 88 Cb 1.20 0.31 0.01 0.00 -0.51 0.00 0.00 29.16 30.17 3hsi h TRP 88 CO 0.81 -0.30 -0.28 0.45 -1.03 0.00 0.00 178.44 178.10 3hsi h HIS 89 N -0.09 0.30 -0.43 2.65 3.86 -1.91 -3.26 115.15 116.28 3hsi h HIS 89 Ca 0.25 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 3hsi h HIS 89 Cb 0.47 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3hsi h HIS 89 CO -0.51 0.94 0.28 -0.09 0.86 0.00 0.00 177.93 179.42 3hsi h ARG 90 N -0.43 0.50 0.00 2.45 9.65 -1.88 -1.46 114.38 123.22 3hsi h ARG 90 Ca -0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3hsi h ARG 90 Cb 1.01 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.48 3hsi h ARG 90 CO 0.06 0.33 0.00 0.00 2.80 0.00 0.00 179.97 183.16 3hsi n ALA 91 N -2.48 1.82 -1.20 2.80 0.00 -0.74 -3.49 120.51 117.22 3hsi n ALA 91 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3hsi n ALA 91 Cb 0.11 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 18.37 3hsi n ALA 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hsi n GLN 92 N -2.03 1.81 -4.14 0.00 6.02 -0.55 -1.09 117.38 117.41 3hsi n GLN 92 Ca 0.03 -2.87 -0.10 0.00 -0.01 0.00 0.00 57.00 54.06 3hsi n GLN 92 Cb 0.26 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 3hsi n GLN 92 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hsi s ARG 93 N -2.99 1.06 0.39 -1.09 1.70 -1.23 -4.98 118.95 111.80 3hsi s ARG 93 Ca 0.37 -1.46 -0.00 0.00 -0.47 0.00 0.00 55.73 54.17 3hsi s ARG 93 Cb 0.33 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 3hsi s ARG 93 CO 0.02 -0.33 0.60 -0.80 -1.08 0.00 0.00 175.30 173.71 3hsi s ASN 94 N -3.07 6.17 0.00 -2.89 0.01 -1.26 -4.57 114.94 109.33 3hsi s ASN 94 Ca 0.28 0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.87 3hsi s ASN 94 Cb 0.07 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.81 3hsi s ASN 94 CO 0.05 -0.43 0.46 0.18 -1.51 0.00 0.00 177.10 175.85 3hsi n LEU 95 N -1.90 0.00 0.00 0.60 4.32 -1.26 -5.11 117.00 113.65 3hsi n LEU 95 Ca -0.03 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 3hsi n LEU 95 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 3hsi n LEU 95 CO 0.49 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.66 3hsi n ALA 98 N -0.81 0.00 -1.77 -1.18 0.00 -1.26 -5.02 120.51 110.47 3hsi n ALA 98 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3hsi n ALA 98 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3hsi n ALA 98 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hsi s GLU 99 N -2.48 3.97 -0.85 0.00 4.04 -1.26 -4.97 118.70 117.15 3hsi s GLU 99 Ca 0.00 1.76 -0.25 0.00 0.04 0.00 0.00 54.97 56.53 3hsi s GLU 99 Cb 0.00 -2.56 0.05 0.00 0.02 0.00 0.00 34.13 31.64 3hsi s GLU 99 CO 0.00 -0.37 1.30 0.15 -1.84 0.00 0.00 175.26 174.50 3hsi s LYS 100 N -2.47 3.36 0.00 -4.83 -0.14 -1.26 -4.97 119.74 109.43 3hsi s LYS 100 Ca 0.59 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 3hsi s LYS 100 Cb -0.29 -4.68 0.00 0.00 -1.68 0.00 0.00 37.83 31.19 3hsi s LYS 100 CO 0.35 -2.11 0.00 -1.13 -0.76 0.00 0.00 175.35 171.70 3hsi n SER 101 N 8.84 1.39 -4.74 2.83 3.41 -1.26 -5.08 113.62 119.01 3hsi n SER 101 Ca 0.15 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 3hsi n SER 101 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3hsi n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsi s ALA 102 N -2.00 3.76 0.98 7.33 0.00 -1.26 -4.88 121.76 125.68 3hsi s ALA 102 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 3hsi s ALA 102 Cb 0.00 -3.63 0.18 0.00 0.00 0.00 0.00 23.12 19.67 3hsi s ALA 102 CO 0.00 -0.86 1.15 0.95 0.00 0.00 0.00 175.76 177.00 3hsi s THR 103 N 0.48 1.93 0.26 0.00 -4.23 -1.26 -4.87 115.64 107.96 3hsi s THR 103 Ca 0.66 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 3hsi s THR 103 Cb -0.46 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 70.93 3hsi s THR 103 CO 0.40 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.15 3hsi h ASN 104 N -1.74 1.04 -0.71 3.99 2.35 -1.78 -2.02 115.58 116.71 3hsi h ASN 104 Ca -0.49 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 3hsi h ASN 104 Cb 1.31 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 3hsi h ASN 104 CO 0.54 0.69 0.28 0.00 -1.65 0.00 0.00 177.43 177.28 3hsi h ALA 105 N 1.43 1.13 -0.65 -0.83 0.00 -1.40 -0.76 119.26 118.17 3hsi h ALA 105 Ca 0.41 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hsi h ALA 105 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3hsi h ALA 105 CO -0.15 0.62 0.41 -0.44 0.00 0.00 0.00 179.25 179.69 3hsi h ASP 106 N 1.05 0.69 -0.73 0.00 3.32 -1.69 -1.81 116.42 117.26 3hsi h ASP 106 Ca 0.24 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3hsi h ASP 106 Cb 0.21 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3hsi h ASP 106 CO -0.02 0.48 0.22 -0.25 -1.72 0.00 0.00 179.24 177.95 3hsi h TRP 107 N 0.82 1.18 -0.56 4.55 7.01 -0.87 -1.70 115.95 126.37 3hsi h TRP 107 Ca 0.26 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 3hsi h TRP 107 Cb -0.01 -0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 3hsi h TRP 107 CO -0.04 0.94 0.27 1.88 -2.79 0.00 0.00 178.44 178.70 3hsi h TYR 108 N 1.08 0.81 -0.14 2.65 0.05 -0.81 -0.31 116.97 120.30 3hsi h TYR 108 Ca 0.23 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.00 3hsi h TYR 108 Cb 0.32 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3hsi h TYR 108 CO 0.03 0.62 -0.02 0.00 -1.05 0.00 0.00 178.16 177.73 3hsi h GLU 110 N 0.02 0.80 -0.32 0.00 4.81 -0.97 -0.85 114.58 118.06 3hsi h GLU 110 Ca 0.07 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3hsi h GLU 110 Cb 0.09 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hsi h GLU 110 CO -0.13 0.53 -0.34 1.96 -0.73 0.00 0.00 179.01 180.30 3hsi h GLN 111 N 0.82 0.72 -0.28 1.92 1.08 -0.88 -2.65 115.11 115.84 3hsi h GLN 111 Ca 0.29 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 3hsi h GLN 111 Cb 0.08 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3hsi h GLN 111 CO -0.13 0.95 -0.35 -0.09 -0.95 0.00 0.00 178.83 178.26 3hsi h ARG 112 N 0.60 0.62 0.00 1.46 2.43 -0.40 0.95 114.38 120.05 3hsi h ARG 112 Ca 0.06 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 3hsi h ARG 112 Cb 0.87 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3hsi h ARG 112 CO 0.08 0.88 -0.24 1.96 -1.51 0.00 0.00 179.97 181.13 3hsi h GLN 113 N 0.52 0.00 0.00 0.20 4.20 -1.07 -1.83 115.11 117.13 3hsi h GLN 113 Ca 0.05 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.52 3hsi h GLN 113 Cb 0.85 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3hsi h GLN 113 CO 0.07 0.24 -1.82 2.41 -0.67 0.00 0.00 178.83 179.06 3hsi n THR 114 N -4.03 1.25 0.01 -0.54 -1.04 -0.92 -4.41 114.28 104.60 3hsi n THR 114 Ca -0.02 -0.75 0.02 0.00 -2.04 0.00 0.00 64.05 61.26 3hsi n THR 114 Cb 0.31 -0.67 0.03 0.00 -1.82 0.00 0.00 70.33 68.19 3hsi n THR 114 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hsi n TYR 115 N -2.83 0.08 -3.60 -1.42 0.53 0.28 -5.07 117.16 105.13 3hsi n TYR 115 Ca -0.18 -0.33 -0.11 0.00 -1.02 0.00 0.00 57.90 56.27 3hsi n TYR 115 Cb 0.96 -0.03 -0.04 0.00 -1.03 0.00 0.00 39.34 39.21 3hsi n TYR 115 CO 0.00 0.00 0.00 -1.14 -1.02 0.00 0.00 176.86 174.70 3hsi s GLN 116 N -0.74 1.19 0.20 -0.72 0.74 -0.69 -5.02 119.66 114.62 3hsi s GLN 116 Ca 0.05 -0.69 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 3hsi s GLN 116 Cb 0.03 0.51 -0.05 0.00 1.10 0.00 0.00 33.01 34.60 3hsi s GLN 116 CO 0.04 -0.49 0.44 -0.48 -0.55 0.00 0.00 175.29 174.25 3hsi s LEU 117 N -2.81 4.20 0.51 3.68 0.05 -1.26 -4.55 118.68 118.50 3hsi s LEU 117 Ca 0.04 0.61 0.20 0.00 0.05 0.00 0.00 54.13 55.03 3hsi s LEU 117 Cb 0.01 -3.37 1.32 0.00 -2.05 0.00 0.00 46.19 42.10 3hsi s LEU 117 CO -0.10 -0.04 2.10 -0.65 -0.55 0.00 0.00 176.35 177.12 3hsi h PRO 118 N 2.36 0.00 -0.24 1.48 0.11 -1.97 -1.24 132.00 132.50 3hsi h PRO 118 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hsi h PRO 118 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hsi h PRO 118 CO 0.70 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3hsi n ASP 119 N -4.18 1.78 -4.86 -2.05 8.00 -1.26 -4.91 116.55 109.07 3hsi n ASP 119 Ca -0.03 -1.82 -0.31 0.00 0.71 0.00 0.00 54.79 53.35 3hsi n ASP 119 Cb 0.17 -0.16 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3hsi n ASP 119 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hsi s ASP 120 N -1.35 5.67 0.60 -2.24 1.11 -0.47 -5.02 116.67 114.98 3hsi s ASP 120 Ca 0.29 1.33 -0.19 0.00 0.18 0.00 0.00 52.55 54.16 3hsi s ASP 120 Cb 0.16 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.88 3hsi s ASP 120 CO 0.22 -1.22 1.25 -2.16 1.18 0.00 0.00 175.17 174.44 3hsi s PRO 121 N -5.22 2.87 0.82 8.23 0.04 -1.26 -5.00 135.00 135.48 3hsi s PRO 121 Ca 0.57 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 3hsi s PRO 121 Cb -0.12 -1.94 0.20 0.00 0.04 0.00 0.00 34.50 32.69 3hsi s PRO 121 CO 0.53 -1.32 0.77 0.09 0.04 0.00 0.00 177.00 177.11 3hsi n ASN 122 N -1.62 -1.55 0.00 6.66 3.02 -1.26 -5.06 115.26 115.44 3hsi n ASN 122 Ca 0.14 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3hsi n ASN 122 Cb 0.49 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3hsi n ASN 122 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hsi n PHE 124 N -4.02 0.00 -5.17 3.10 3.72 -1.26 -4.94 117.46 108.89 3hsi n PHE 124 Ca 0.11 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.20 3hsi n PHE 124 Cb 0.40 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.78 3hsi n PHE 124 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hsi s PHE 125 N 0.00 2.26 -0.20 1.38 0.08 0.76 -0.06 117.98 122.20 3hsi s PHE 125 Ca 0.00 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.34 3hsi s PHE 125 Cb 0.00 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 3hsi s PHE 125 CO 0.00 -0.18 0.06 0.20 -0.10 0.00 0.00 175.22 175.20 3hsi s GLY 126 N -0.18 1.86 -0.33 4.36 0.00 -0.17 -0.81 107.32 112.05 3hsi s GLY 126 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 3hsi s GLY 126 CO 0.03 0.19 0.15 0.14 0.00 0.00 0.00 173.10 173.60 3hsi s VAL 127 N 0.73 4.30 -0.49 1.40 1.01 -0.02 -2.89 120.40 124.44 3hsi s VAL 127 Ca 0.03 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3hsi s VAL 127 Cb -0.13 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.97 3hsi s VAL 127 CO 0.02 -0.08 0.73 -2.16 0.00 0.00 0.00 175.10 173.62 3hsi s PRO 128 N 1.53 3.27 0.37 2.72 0.04 -1.26 -1.72 135.00 139.94 3hsi s PRO 128 Ca 0.02 -0.45 0.24 0.00 0.04 0.00 0.00 61.00 60.85 3hsi s PRO 128 Cb -0.18 -4.02 0.53 0.00 0.04 0.00 0.00 34.50 30.87 3hsi s PRO 128 CO 0.05 -1.20 1.68 0.82 0.04 0.00 0.00 177.00 178.38 3hsi h ILE 129 N 5.93 0.00 -3.35 0.56 1.08 -1.91 -3.45 117.51 116.37 3hsi h ILE 129 Ca -0.26 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.35 3hsi h ILE 129 Cb 1.09 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 36.60 3hsi h ILE 129 CO 0.97 0.00 0.09 0.21 -0.69 0.00 0.00 178.15 178.74 3hsi s ASN 130 N -5.63 0.09 0.26 1.72 3.84 -1.22 -4.77 114.94 109.23 3hsi s ASN 130 Ca 0.08 -1.04 0.25 0.00 0.21 0.00 0.00 52.86 52.37 3hsi s ASN 130 Cb 0.08 0.73 0.67 0.00 -0.55 0.00 0.00 41.25 42.18 3hsi s ASN 130 CO 0.64 -1.42 1.71 0.71 -2.79 0.00 0.00 177.10 175.95 3hsi h THR 131 N 2.07 0.00 -3.95 -5.21 1.35 -1.90 -3.43 112.91 101.84 3hsi h THR 131 Ca -0.27 -0.60 -0.34 0.00 -0.55 0.00 0.00 66.41 64.64 3hsi h THR 131 Cb 1.25 1.58 -0.28 0.00 -1.73 0.00 0.00 68.15 68.97 3hsi h THR 131 CO 0.35 0.00 -0.76 -0.13 -0.25 0.00 0.00 175.52 174.73 3hsi s ARG 132 N -3.13 0.52 0.32 4.72 1.81 -1.26 -5.01 118.95 116.92 3hsi s ARG 132 Ca 0.10 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 3hsi s ARG 132 Cb 0.11 -0.50 0.53 0.00 -0.45 0.00 0.00 34.95 34.64 3hsi s ARG 132 CO 0.62 0.14 1.97 1.49 -0.68 0.00 0.00 175.30 178.84 3hsi h GLU 133 N 5.94 0.93 -0.86 3.54 4.81 -1.84 -0.09 114.58 127.02 3hsi h GLU 133 Ca -0.29 -0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.06 3hsi h GLU 133 Cb 1.19 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 3hsi h GLU 133 CO 0.50 0.64 0.57 0.28 -0.73 0.00 0.00 179.01 180.27 3hsi h VAL 134 N 0.95 0.71 -0.68 0.32 2.07 -1.96 -2.42 116.25 115.24 3hsi h VAL 134 Ca 0.25 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3hsi h VAL 134 Cb -0.06 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3hsi h VAL 134 CO -0.05 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.10 3hsi n PHE 135 N -4.50 1.08 0.00 1.57 3.01 -0.05 -4.95 117.46 113.62 3hsi n PHE 135 Ca 0.18 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 58.10 3hsi n PHE 135 Cb 0.66 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 3hsi n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hsi n GLY 136 N 1.39 3.30 3.32 1.37 0.00 -0.91 -4.73 105.19 108.93 3hsi n GLY 136 Ca 0.24 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 3hsi n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsi s VAL 137 N 0.00 1.30 -0.61 1.61 -7.23 -1.26 -3.38 120.40 110.83 3hsi s VAL 137 Ca 0.00 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 57.81 3hsi s VAL 137 Cb 0.00 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.79 3hsi s VAL 137 CO 0.00 -0.50 1.48 -0.22 -0.31 0.00 0.00 175.10 175.55 3hsi s LEU 138 N -3.29 3.32 -0.12 1.32 2.96 -1.26 -2.17 118.68 119.45 3hsi s LEU 138 Ca 0.24 0.14 0.14 0.00 -0.22 0.00 0.00 54.13 54.43 3hsi s LEU 138 Cb 0.03 -2.84 0.45 0.00 0.50 0.00 0.00 46.19 44.33 3hsi s LEU 138 CO 0.06 -1.87 1.36 1.41 -1.32 0.00 0.00 176.35 175.99 3hsi n HIS 139 N 10.16 0.76 -2.28 5.38 8.25 -0.05 -4.01 115.22 133.43 3hsi n HIS 139 Ca 0.12 -0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 3hsi n HIS 139 Cb 0.50 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 3hsi n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsi s VAL 140 N -2.20 3.14 0.30 1.59 1.01 -1.07 -4.37 120.40 118.81 3hsi s VAL 140 Ca 0.35 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.52 3hsi s VAL 140 Cb 0.26 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 3hsi s VAL 140 CO 0.11 0.24 -0.12 -0.54 0.00 0.00 0.00 175.10 174.79 3hsi s LYS 141 N -1.26 1.68 0.00 2.72 -0.14 -1.26 -4.12 119.74 117.37 3hsi s LYS 141 Ca 0.49 -1.83 0.00 0.00 -1.36 0.00 0.00 55.97 53.27 3hsi s LYS 141 Cb -0.36 -1.56 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 3hsi s LYS 141 CO 0.45 0.18 0.00 0.41 -0.76 0.00 0.00 175.35 175.62 3hsi n GLY 142 N -0.67 4.31 3.34 -3.33 0.00 -1.25 -4.90 105.19 102.70 3hsi n GLY 142 Ca -0.05 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3hsi n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hsi s PHE 143 N -0.45 2.59 -0.14 1.61 0.08 -0.44 -1.63 117.98 119.60 3hsi s PHE 143 Ca 0.00 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3hsi s PHE 143 Cb 0.00 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 3hsi s PHE 143 CO 0.00 -0.11 -0.21 0.08 -0.10 0.00 0.00 175.22 174.88 3hsi s VAL 144 N -0.20 2.00 -0.27 -0.44 1.01 0.27 -0.91 120.40 121.85 3hsi s VAL 144 Ca -0.01 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3hsi s VAL 144 Cb -0.13 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.54 3hsi s VAL 144 CO 0.03 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 3hsi s PHE 145 N 0.85 3.12 0.00 5.22 0.40 -0.19 0.21 117.98 127.58 3hsi s PHE 145 Ca -0.07 -2.33 0.00 0.00 -0.60 0.00 0.00 56.93 53.94 3hsi s PHE 145 Cb -0.15 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.31 3hsi s PHE 145 CO -0.02 -0.87 0.00 -0.25 0.70 0.00 0.00 175.22 174.78 3hsi n ASP 146 N 4.46 0.00 -1.62 1.36 8.00 -0.36 -0.96 116.55 127.43 3hsi n ASP 146 Ca -0.09 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.51 3hsi n ASP 146 Cb 0.42 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.89 3hsi n ASP 146 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hsi n ASP 147 N 7.10 4.83 -4.24 -2.24 8.00 -1.26 -4.87 116.55 123.87 3hsi n ASP 147 Ca 0.00 -2.45 -0.33 0.00 0.71 0.00 0.00 54.79 52.73 3hsi n ASP 147 Cb 0.00 -0.59 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 3hsi n ASP 147 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hsi s THR 148 N -1.84 2.42 -0.19 -3.53 2.01 -0.13 -2.26 115.64 112.12 3hsi s THR 148 Ca 0.52 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 3hsi s THR 148 Cb 0.33 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3hsi s THR 148 CO 0.25 0.53 0.26 -0.69 -0.69 0.00 0.00 174.62 174.29 3hsi s VAL 149 N 0.66 5.31 -0.26 3.82 1.01 0.00 -1.02 120.40 129.92 3hsi s VAL 149 Ca -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 3hsi s VAL 149 Cb -0.16 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3hsi s VAL 149 CO 0.02 0.36 -0.03 -0.22 0.00 0.00 0.00 175.10 175.24 3hsi s LEU 150 N 0.71 3.39 -0.14 3.92 2.96 -0.09 0.09 118.68 129.52 3hsi s LEU 150 Ca 0.14 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 3hsi s LEU 150 Cb -0.13 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3hsi s LEU 150 CO 0.04 -0.15 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.30 3hsi s TYR 151 N 1.35 2.79 0.00 5.38 5.04 0.12 -1.33 117.35 130.70 3hsi s TYR 151 Ca 0.00 -0.76 -0.28 0.00 -2.44 0.00 0.00 57.07 53.59 3hsi s TYR 151 Cb -0.17 -1.85 0.08 0.00 0.35 0.00 0.00 41.96 40.37 3hsi s TYR 151 CO -0.03 -0.29 0.73 0.45 -1.34 0.00 0.00 175.55 175.07 3hsi s SER 152 N 0.48 -0.55 0.00 4.32 0.15 -1.26 -1.04 113.70 115.80 3hsi s SER 152 Ca -0.10 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.15 3hsi s SER 152 Cb -0.16 0.50 1.15 0.00 -1.71 0.00 0.00 66.02 65.80 3hsi s SER 152 CO 0.05 -0.68 1.82 0.61 1.20 0.00 0.00 173.24 176.23 3hsi n GLY 153 N 0.32 -1.25 3.78 9.45 0.00 -1.25 -4.54 105.19 111.69 3hsi n GLY 153 Ca -0.16 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3hsi n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsi s ALA 154 N -2.82 3.15 0.58 4.61 0.00 -1.26 -4.97 121.76 121.06 3hsi s ALA 154 Ca 0.17 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.90 3hsi s ALA 154 Cb 0.16 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 20.11 3hsi s ALA 154 CO 0.42 -0.18 0.75 0.43 0.00 0.00 0.00 175.76 177.18 3hsi n SER 155 N 0.20 1.43 -4.39 0.00 7.64 -1.26 -4.87 113.62 112.37 3hsi n SER 155 Ca 0.04 -2.11 -0.44 0.00 1.01 0.00 0.00 58.87 57.37 3hsi n SER 155 Cb 0.49 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 3hsi n SER 155 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hsi s ILE 156 N -2.27 5.19 0.27 0.44 -1.09 -1.14 -4.72 121.20 117.88 3hsi s ILE 156 Ca 0.53 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.77 3hsi s ILE 156 Cb -0.04 -4.07 0.06 0.00 -1.58 0.00 0.00 42.46 36.83 3hsi s ILE 156 CO 0.34 -0.54 0.78 -0.46 -1.23 0.00 0.00 174.94 173.84 3hsi n ASN 157 N 5.18 -1.82 0.06 3.58 0.23 -1.26 -0.58 115.26 120.65 3hsi n ASN 157 Ca -0.12 -2.15 -0.11 0.00 -0.53 0.00 0.00 54.58 51.67 3hsi n ASN 157 Cb 0.44 3.00 -0.04 0.00 -2.08 0.00 0.00 39.78 41.10 3hsi n ASN 157 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3hsi h ASN 158 N 1.73 -0.63 -0.30 0.53 2.35 -1.94 -2.75 115.58 114.58 3hsi h ASN 158 Ca -0.27 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 3hsi h ASN 158 Cb 1.07 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 3hsi h ASN 158 CO 0.35 -0.28 -0.20 -0.37 -1.65 0.00 0.00 177.43 175.28 3hsi h VAL 159 N -0.34 1.30 0.00 2.81 -1.51 -1.95 0.21 116.25 116.76 3hsi h VAL 159 Ca 0.06 -1.34 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 3hsi h VAL 159 Cb 0.42 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3hsi h VAL 159 CO -0.20 0.43 -0.00 1.88 -1.23 0.00 0.00 177.57 178.45 3hsi h TYR 160 N 0.41 0.00 -0.18 5.19 0.99 -1.79 -0.68 116.97 120.91 3hsi h TYR 160 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3hsi h TYR 160 Cb 0.75 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.48 3hsi h TYR 160 CO 0.07 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.51 3hsi n LEU 161 N -4.07 2.76 -3.73 3.88 4.32 -1.04 -4.77 117.00 114.35 3hsi n LEU 161 Ca -0.03 -1.31 -0.25 0.00 -0.02 0.00 0.00 56.01 54.40 3hsi n LEU 161 Cb 0.09 -0.11 0.05 0.00 -1.62 0.00 0.00 43.42 41.82 3hsi n LEU 161 CO 0.30 0.56 0.11 1.57 -1.22 0.00 0.00 177.39 178.71 3hsi n HIS 162 N 1.01 -2.38 0.05 -1.77 -0.00 -0.31 -4.46 115.22 107.37 3hsi n HIS 162 Ca 0.13 0.93 -0.11 0.00 0.46 0.00 0.00 57.72 59.13 3hsi n HIS 162 Cb 0.46 -4.49 -0.04 0.00 -0.12 0.00 0.00 29.99 25.80 3hsi n HIS 162 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3hsi h GLN 163 N -2.20 -0.29 0.00 1.57 5.75 -0.88 -3.44 115.11 115.62 3hsi h GLN 163 Ca -0.58 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 3hsi h GLN 163 Cb 1.37 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.98 3hsi h GLN 163 CO 0.60 -0.19 0.00 1.19 -2.65 0.00 0.00 178.83 177.78 3hsi n PHE 164 N -5.32 0.00 0.09 3.99 3.01 -1.26 -5.02 117.46 112.95 3hsi n PHE 164 Ca -0.05 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.42 3hsi n PHE 164 Cb 0.24 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 3hsi n PHE 164 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3hsi h GLU 165 N 0.00 0.00 -5.61 -1.08 -0.00 -1.97 -3.47 114.58 102.45 3hsi h GLU 165 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 59.36 58.71 3hsi h GLU 165 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 28.67 3hsi h GLU 165 CO 0.00 0.43 -0.45 0.21 -0.00 0.00 0.00 179.01 179.19 3hsi s LYS 166 N -2.94 3.62 0.27 1.06 2.20 -1.26 -5.05 119.74 117.64 3hsi s LYS 166 Ca 0.01 -0.09 0.10 0.00 -0.36 0.00 0.00 55.97 55.62 3hsi s LYS 166 Cb 0.08 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 3hsi s LYS 166 CO 0.78 0.68 -0.15 1.52 -0.36 0.00 0.00 175.35 177.82 3hsi s TYR 167 N -0.78 2.13 -0.19 4.03 -0.85 -1.26 -4.37 117.35 116.06 3hsi s TYR 167 Ca 0.15 -0.46 -0.00 0.00 -0.52 0.00 0.00 57.07 56.23 3hsi s TYR 167 Cb -0.12 -1.03 0.02 0.00 0.38 0.00 0.00 41.96 41.20 3hsi s TYR 167 CO 0.04 0.56 -0.16 0.50 -1.52 0.00 0.00 175.55 174.97 3hsi s ARG 168 N -3.59 3.04 0.07 -3.49 3.52 -0.33 -2.00 118.95 116.18 3hsi s ARG 168 Ca 0.29 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 3hsi s ARG 168 Cb -0.02 -2.70 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 3hsi s ARG 168 CO 0.13 -0.23 1.08 -0.47 -0.81 0.00 0.00 175.30 175.00 3hsi s TYR 169 N 1.33 3.59 0.30 5.12 5.04 0.56 -4.53 117.35 128.75 3hsi s TYR 169 Ca 0.04 1.55 -0.02 0.00 -2.44 0.00 0.00 57.07 56.21 3hsi s TYR 169 Cb -0.14 -3.25 0.01 0.00 0.35 0.00 0.00 41.96 38.93 3hsi s TYR 169 CO -0.10 -0.56 0.42 -3.47 -1.34 0.00 0.00 175.55 170.50 3hsi n ASP 170 N 3.44 -1.18 -4.47 4.32 -0.08 -1.26 0.26 116.55 117.58 3hsi n ASP 170 Ca 0.06 -2.62 -0.28 0.00 -1.51 0.00 0.00 54.79 50.44 3hsi n ASP 170 Cb 0.48 2.19 -0.11 0.00 2.34 0.00 0.00 41.12 46.02 3hsi n ASP 170 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3hsi s ARG 171 N -2.68 1.71 -0.15 -0.67 0.52 -1.26 -4.88 118.95 111.54 3hsi s ARG 171 Ca 0.25 -1.35 -0.06 0.00 -0.52 0.00 0.00 55.73 54.05 3hsi s ARG 171 Cb -0.01 -2.00 0.07 0.00 0.52 0.00 0.00 34.95 33.53 3hsi s ARG 171 CO 0.18 0.44 0.33 0.71 0.02 0.00 0.00 175.30 176.97 3hsi s TYR 172 N -1.47 -0.54 -0.10 -0.53 2.02 -1.26 -3.92 117.35 111.54 3hsi s TYR 172 Ca 0.20 1.15 0.02 0.00 -0.37 0.00 0.00 57.07 58.07 3hsi s TYR 172 Cb -0.09 0.13 0.01 0.00 -0.40 0.00 0.00 41.96 41.61 3hsi s TYR 172 CO 0.11 -0.37 -0.15 -0.65 -1.57 0.00 0.00 175.55 172.92 3hsi s GLN 173 N 2.09 2.20 -0.32 -0.62 1.11 -0.21 -0.13 119.66 123.78 3hsi s GLN 173 Ca -0.03 -0.56 -0.12 0.00 0.01 0.00 0.00 55.36 54.66 3hsi s GLN 173 Cb -0.11 -1.85 -0.02 0.00 -1.01 0.00 0.00 33.01 30.01 3hsi s GLN 173 CO -0.10 -0.04 0.21 0.21 0.01 0.00 0.00 175.29 175.58 3hsi s LYS 174 N 0.93 3.56 -0.25 2.91 2.20 0.22 0.10 119.74 129.41 3hsi s LYS 174 Ca -0.08 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3hsi s LYS 174 Cb -0.15 -3.73 0.04 0.00 -1.51 0.00 0.00 37.83 32.47 3hsi s LYS 174 CO -0.01 -0.38 -0.08 0.42 -0.36 0.00 0.00 175.35 174.94 3hsi s ILE 175 N 1.71 2.63 -0.80 5.43 1.01 0.11 -1.02 121.20 130.27 3hsi s ILE 175 Ca 0.06 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.30 3hsi s ILE 175 Cb -0.17 -2.40 0.13 0.00 0.01 0.00 0.00 42.46 40.03 3hsi s ILE 175 CO 0.10 0.12 0.95 -0.89 0.00 0.00 0.00 174.94 175.23 3hsi s THR 176 N 1.25 4.85 -0.22 2.92 2.01 -0.11 -0.82 115.64 125.52 3hsi s THR 176 Ca -0.03 -1.45 -0.03 0.00 0.31 0.00 0.00 61.69 60.49 3hsi s THR 176 Cb -0.18 -4.65 0.11 0.00 0.01 0.00 0.00 72.50 67.80 3hsi s THR 176 CO -0.05 -1.34 0.33 -2.28 -0.69 0.00 0.00 174.62 170.59 3hsi s HIS 177 N 2.43 -0.63 0.26 4.92 5.04 -0.96 -4.81 115.29 121.54 3hsi s HIS 177 Ca 0.24 0.71 -0.05 0.00 -1.54 0.00 0.00 55.06 54.42 3hsi s HIS 177 Cb -0.11 -0.08 0.29 0.00 0.04 0.00 0.00 32.58 32.72 3hsi s HIS 177 CO -0.03 -0.64 1.93 0.00 -2.34 0.00 0.00 174.74 173.65 3hsi h ALA 178 N 8.23 1.30 -0.31 1.58 0.00 -1.92 0.47 119.26 128.61 3hsi h ALA 178 Ca -0.18 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hsi h ALA 178 Cb 1.15 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hsi h ALA 178 CO 0.26 0.65 -0.20 1.49 0.00 0.00 0.00 179.25 181.44 3hsi h GLU 179 N 1.32 0.68 -0.42 0.00 4.81 -1.97 -1.12 114.58 117.88 3hsi h GLU 179 Ca 0.35 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3hsi h GLU 179 Cb -0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3hsi h GLU 179 CO -0.08 0.92 0.25 1.25 -0.73 0.00 0.00 179.01 180.62 3hsi h LEU 180 N 0.43 0.50 -0.60 1.64 5.85 -1.87 -1.53 115.31 119.75 3hsi h LEU 180 Ca 0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3hsi h LEU 180 Cb 0.74 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3hsi h LEU 180 CO 0.05 0.41 0.34 0.00 -0.34 0.00 0.00 178.44 178.90 3hsi h ALA 181 N 1.11 0.78 -0.55 1.25 0.00 -0.77 -2.74 119.26 118.34 3hsi h ALA 181 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hsi h ALA 181 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hsi h ALA 181 CO -0.03 0.03 0.29 -0.44 0.00 0.00 0.00 179.25 179.10 3hsi h ASP 182 N 0.64 0.70 0.00 0.00 3.32 -1.03 -1.33 116.42 118.72 3hsi h ASP 182 Ca 0.26 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hsi h ASP 182 Cb 0.11 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hsi h ASP 182 CO -0.15 0.61 0.00 -0.24 -1.72 0.00 0.00 179.24 177.74 3hsi n SER 183 N -4.60 0.00 0.00 6.45 2.88 -0.59 0.06 113.62 117.82 3hsi n SER 183 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3hsi n SER 183 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3hsi n SER 183 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3hsi n VAL 185 N 0.27 0.00 -0.23 2.46 0.31 -0.50 -1.44 118.33 119.20 3hsi n VAL 185 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3hsi n VAL 185 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3hsi n VAL 185 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hsi h ASN 186 N 0.00 0.73 -0.73 4.52 2.35 -0.63 -0.44 115.58 121.38 3hsi h ASN 186 Ca 0.00 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3hsi h ASN 186 Cb 0.00 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 3hsi h ASN 186 CO 0.00 0.52 0.44 0.15 -1.65 0.00 0.00 177.43 176.89 3hsi h PHE 187 N 0.87 0.81 0.22 1.19 3.57 -1.47 0.39 116.94 122.52 3hsi h PHE 187 Ca 0.25 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hsi h PHE 187 Cb -0.07 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3hsi h PHE 187 CO -0.03 0.43 -0.25 0.82 -2.23 0.00 0.00 178.31 177.04 3hsi h ILE 188 N 0.83 0.45 -0.44 1.41 1.08 -1.67 -0.51 117.51 118.66 3hsi h ILE 188 Ca 0.31 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.73 3hsi h ILE 188 Cb 0.11 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 3hsi h ILE 188 CO -0.15 0.00 0.10 0.78 -0.69 0.00 0.00 178.15 178.19 3hsi h ASN 189 N -0.52 0.68 0.77 1.72 2.35 -0.87 0.10 115.58 119.80 3hsi h ASN 189 Ca 0.00 -0.24 -0.24 0.00 -0.55 0.00 0.00 56.30 55.27 3hsi h ASN 189 Cb 0.50 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 3hsi h ASN 189 CO -0.08 0.74 -1.33 0.44 -1.65 0.00 0.00 177.43 175.56 3hsi h ASP 190 N 0.58 0.00 0.00 5.81 3.32 -0.20 -3.37 116.42 122.56 3hsi h ASP 190 Ca 0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 3hsi h ASP 190 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hsi h ASP 190 CO 0.00 0.96 -1.16 -1.22 -1.72 0.00 0.00 179.24 176.10 3hsi n TYR 191 N -3.18 0.00 0.09 4.55 4.01 -0.24 -4.80 117.16 117.59 3hsi n TYR 191 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 3hsi n TYR 191 Cb 0.98 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 39.82 3hsi n TYR 191 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hsi h LEU 192 N -0.06 0.43 -6.14 7.72 3.38 -0.85 -3.37 115.31 116.42 3hsi h LEU 192 Ca -0.07 -0.40 -0.77 0.00 0.09 0.00 0.00 57.88 56.73 3hsi h LEU 192 Cb 1.08 -0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.51 3hsi h LEU 192 CO -0.03 1.24 1.77 0.18 0.09 0.00 0.00 178.44 181.70 3hsi n LEU 193 N -3.63 7.36 -4.50 1.67 4.77 0.25 -4.89 117.00 118.03 3hsi n LEU 193 Ca -0.07 -5.01 -0.43 0.00 -0.03 0.00 0.00 56.01 50.47 3hsi n LEU 193 Cb 0.92 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 3hsi n LEU 193 CO 0.52 1.86 0.57 -0.62 -1.33 0.00 0.00 177.39 178.39 3hsi s ASP 194 N -0.26 6.32 0.00 -1.43 -1.08 -1.26 -4.90 116.67 114.06 3hsi s ASP 194 Ca 0.44 -0.48 0.11 0.00 -0.52 0.00 0.00 52.55 52.11 3hsi s ASP 194 Cb 0.15 -2.38 0.69 0.00 -1.46 0.00 0.00 42.92 39.92 3hsi s ASP 194 CO -0.05 -1.04 1.16 0.49 0.52 0.00 0.00 175.17 176.24 3hsi n PHE 195 N 6.87 0.00 0.46 -5.34 3.72 -1.26 -1.12 117.46 120.79 3hsi n PHE 195 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3hsi n PHE 195 Cb 0.47 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.29 3hsi n PHE 195 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hsi h SER 196 N 0.00 0.00 0.00 4.37 4.64 -1.98 -3.39 113.55 117.19 3hsi h SER 196 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hsi h SER 196 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hsi h SER 196 CO 0.00 0.01 -0.84 0.00 -0.87 0.00 0.00 176.83 175.13 3hsi n ALA 197 N -1.92 1.83 -2.63 5.18 0.00 -0.48 -4.84 120.51 117.66 3hsi n ALA 197 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 3hsi n ALA 197 Cb 0.47 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.05 3hsi n ALA 197 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hsi s VAL 198 N -1.83 5.14 0.03 0.00 1.01 -0.27 -4.59 120.40 119.89 3hsi s VAL 198 Ca 0.00 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.82 3hsi s VAL 198 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3hsi s VAL 198 CO 0.00 0.45 -0.05 -0.31 0.00 0.00 0.00 175.10 175.19 3hsi s TYR 199 N -0.16 0.45 0.48 5.22 2.02 -1.14 -4.50 117.35 119.71 3hsi s TYR 199 Ca 0.23 -0.50 -0.23 0.00 -0.37 0.00 0.00 57.07 56.20 3hsi s TYR 199 Cb -0.15 -0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.05 3hsi s TYR 199 CO 0.10 -0.14 1.23 -2.14 -1.57 0.00 0.00 175.55 173.04 3hsi s PRO 200 N -1.48 3.62 0.00 -1.71 0.02 -1.26 -1.00 135.00 133.19 3hsi s PRO 200 Ca -0.13 1.94 0.19 0.00 0.02 0.00 0.00 61.00 63.02 3hsi s PRO 200 Cb -0.10 -2.41 0.25 0.00 0.02 0.00 0.00 34.50 32.26 3hsi s PRO 200 CO -0.00 -0.71 1.20 1.28 -0.33 0.00 0.00 177.00 178.43 3hsi n LEU 201 N -0.55 2.87 -1.11 -5.54 4.77 0.91 -4.46 117.00 113.90 3hsi n LEU 201 Ca 0.08 -1.26 0.10 0.00 -0.03 0.00 0.00 56.01 54.90 3hsi n LEU 201 Cb 0.47 -0.10 0.26 0.00 -2.33 0.00 0.00 43.42 41.71 3hsi n LEU 201 CO 0.50 0.57 0.72 -0.90 -1.33 0.00 0.00 177.39 176.95 3hsi n ASP 202 N 1.13 3.57 -4.23 -1.43 5.68 -1.25 -4.16 116.55 115.87 3hsi n ASP 202 Ca 0.14 -1.99 -0.25 0.00 -0.50 0.00 0.00 54.79 52.19 3hsi n ASP 202 Cb 0.50 -0.38 -0.14 0.00 -1.14 0.00 0.00 41.12 39.96 3hsi n ASP 202 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3hsi s VAL 203 N -1.05 1.56 0.11 2.12 -7.23 -1.26 -3.83 120.40 110.83 3hsi s VAL 203 Ca 0.40 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.29 3hsi s VAL 203 Cb 0.21 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 3hsi s VAL 203 CO 0.28 0.18 1.41 0.00 -0.31 0.00 0.00 175.10 176.66 3hsi h THR 204 N 4.40 1.29 -0.46 5.32 1.03 -1.94 -3.35 112.91 119.21 3hsi h THR 204 Ca -0.41 -1.58 -0.70 0.00 -0.01 0.00 0.00 66.41 63.70 3hsi h THR 204 Cb 1.16 1.61 -0.06 0.00 -1.07 0.00 0.00 68.15 69.79 3hsi h THR 204 CO 0.44 0.51 2.67 0.59 -0.01 0.00 0.00 175.52 179.73 3hsi n ASN 205 N -4.15 4.38 -4.40 0.00 3.02 -1.26 -4.88 115.26 107.97 3hsi n ASN 205 Ca -0.04 -2.89 -0.21 0.00 -0.03 0.00 0.00 54.58 51.42 3hsi n ASN 205 Cb 0.54 -1.68 -0.10 0.00 -0.61 0.00 0.00 39.78 37.93 3hsi n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsi s ARG 206 N 3.43 1.47 0.78 3.52 1.70 -1.26 -5.06 118.95 123.54 3hsi s ARG 206 Ca 0.49 -1.68 -0.11 0.00 -0.47 0.00 0.00 55.73 53.96 3hsi s ARG 206 Cb 0.09 -1.31 0.06 0.00 -0.57 0.00 0.00 34.95 33.23 3hsi s ARG 206 CO -0.02 0.19 1.09 -1.25 -1.08 0.00 0.00 175.30 174.24 3hsi s PRO 207 N -3.63 2.21 0.27 3.89 0.04 -1.26 -5.05 135.00 131.48 3hsi s PRO 207 Ca 0.26 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 61.94 3hsi s PRO 207 Cb -0.01 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3hsi s PRO 207 CO 0.10 -1.54 0.52 1.03 0.04 0.00 0.00 177.00 177.15 3hsi s ARG 208 N -5.14 3.62 0.24 4.56 0.52 -1.26 -4.99 118.95 116.51 3hsi s ARG 208 Ca 0.60 -0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.68 3hsi s ARG 208 Cb -0.14 -2.68 0.38 0.00 0.52 0.00 0.00 34.95 33.02 3hsi s ARG 208 CO 0.54 0.26 1.61 1.15 0.02 0.00 0.00 175.30 178.88 3hsi h THR 209 N 1.45 0.24 -1.03 0.02 2.02 -1.96 0.41 112.91 114.05 3hsi h THR 209 Ca -0.48 -0.01 0.26 0.00 0.77 0.00 0.00 66.41 66.95 3hsi h THR 209 Cb 1.19 0.21 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 3hsi h THR 209 CO 0.67 0.00 0.65 0.11 0.37 0.00 0.00 175.52 177.33 3hsi h LYS 210 N 0.03 0.43 0.00 6.66 1.57 -1.95 0.69 116.57 124.00 3hsi h LYS 210 Ca 0.40 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3hsi h LYS 210 Cb 0.65 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3hsi h LYS 210 CO -0.77 0.28 -0.34 0.93 -0.57 0.00 0.00 179.45 178.98 3hsi h GLU 211 N 0.44 0.00 -0.02 3.15 5.08 -0.57 -3.33 114.58 119.34 3hsi h GLU 211 Ca 0.59 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 3hsi h GLU 211 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 3hsi h GLU 211 CO -0.32 0.34 -0.19 0.44 -1.00 0.00 0.00 179.01 178.28 3hsi n ILE 212 N -3.69 2.04 -0.12 3.13 -5.35 0.22 -4.82 119.36 110.78 3hsi n ILE 212 Ca -0.01 -2.64 -0.10 0.00 -0.27 0.00 0.00 62.75 59.73 3hsi n ILE 212 Cb 0.44 -0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.08 3hsi n ILE 212 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3hsi h ARG 213 N 0.46 0.60 -0.38 6.28 2.43 -1.64 0.17 114.38 122.29 3hsi h ARG 213 Ca 0.01 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3hsi h ARG 213 Cb 1.03 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 3hsi h ARG 213 CO 0.02 0.68 0.14 0.78 -1.51 0.00 0.00 179.97 180.07 3hsi h GLY 214 N 0.43 0.49 1.00 2.80 0.00 -1.90 -1.37 103.07 104.52 3hsi h GLY 214 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3hsi h GLY 214 CO 0.01 0.03 0.40 3.43 0.00 0.00 0.00 176.54 180.41 3hsi h ASN 215 N 0.30 0.81 0.15 0.19 4.21 -1.69 -2.00 115.58 117.54 3hsi h ASN 215 Ca 0.17 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 3hsi h ASN 215 Cb 0.15 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 3hsi h ASN 215 CO -0.17 0.64 -0.07 0.40 -1.29 0.00 0.00 177.43 176.94 3hsi h ILE 216 N 0.91 0.89 -0.19 2.81 1.08 -0.33 0.13 117.51 122.81 3hsi h ILE 216 Ca 0.24 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 3hsi h ILE 216 Cb -0.02 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3hsi h ILE 216 CO -0.04 0.04 -0.08 0.03 -0.69 0.00 0.00 178.15 177.40 3hsi h ARG 217 N -0.27 -0.05 -0.72 2.37 3.08 -1.20 0.27 114.38 117.87 3hsi h ARG 217 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3hsi h ARG 217 Cb 0.21 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3hsi h ARG 217 CO 0.03 -0.04 0.32 0.00 -1.07 0.00 0.00 179.97 179.22 3hsi h ALA 218 N 1.11 1.22 -0.35 0.04 0.00 -1.28 -1.82 119.26 118.18 3hsi h ALA 218 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hsi h ALA 218 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hsi h ALA 218 CO -0.22 0.59 0.16 -0.92 0.00 0.00 0.00 179.25 178.85 3hsi h TYR 219 N 1.02 0.52 -0.10 0.00 3.20 -0.07 -0.88 116.97 120.66 3hsi h TYR 219 Ca 0.25 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3hsi h TYR 219 Cb 0.14 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hsi h TYR 219 CO 0.01 0.46 0.04 -0.09 -1.64 0.00 0.00 178.16 176.95 3hsi h ARG 220 N 0.43 0.15 -0.39 1.82 2.43 -0.24 -0.86 114.38 117.71 3hsi h ARG 220 Ca 0.12 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3hsi h ARG 220 Cb 0.15 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3hsi h ARG 220 CO -0.01 0.26 0.03 -0.22 -1.51 0.00 0.00 179.97 178.51 3hsi h LYS 221 N 0.01 0.13 -0.45 0.20 3.64 -1.30 0.87 116.57 119.67 3hsi h LYS 221 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3hsi h LYS 221 Cb 0.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3hsi h LYS 221 CO -0.00 0.09 0.23 0.22 -2.27 0.00 0.00 179.45 177.71 3hsi h ASP 222 N 0.14 0.59 -0.35 4.20 3.58 -0.89 -1.09 116.42 122.59 3hsi h ASP 222 Ca 0.19 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3hsi h ASP 222 Cb 0.25 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3hsi h ASP 222 CO -0.29 0.54 0.18 0.25 -2.88 0.00 0.00 179.24 177.04 3hsi h LEU 223 N 0.59 0.45 -0.30 2.28 5.85 -0.89 0.12 115.31 123.41 3hsi h LEU 223 Ca 0.16 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hsi h LEU 223 Cb 0.10 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3hsi h LEU 223 CO -0.02 0.43 0.15 0.00 -0.34 0.00 0.00 178.44 178.66 3hsi h ALA 224 N 1.04 0.37 0.01 1.25 0.00 -0.64 -0.41 119.26 120.88 3hsi h ALA 224 Ca 0.12 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 3hsi h ALA 224 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hsi h ALA 224 CO -0.02 -0.23 -0.92 1.96 0.00 0.00 0.00 179.25 180.04 3hsi h GLN 225 N 0.32 0.21 0.00 0.00 4.20 -1.04 -3.41 115.11 115.39 3hsi h GLN 225 Ca 0.13 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3hsi h GLN 225 Cb 0.04 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3hsi h GLN 225 CO -0.09 0.99 -1.06 0.09 -0.67 0.00 0.00 178.83 178.09 3hsi n ASN 226 N -3.64 4.71 -4.68 1.46 3.02 0.40 -5.02 115.26 111.51 3hsi n ASN 226 Ca -0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.06 3hsi n ASN 226 Cb 0.84 0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 40.88 3hsi n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hsi n GLY 227 N 2.56 1.32 3.53 7.41 0.00 -0.17 -4.96 105.19 114.88 3hsi n GLY 227 Ca -0.01 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 3hsi n GLY 227 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hsi s GLU 228 N 1.65 0.84 0.29 1.61 -1.05 -1.26 -4.86 118.70 115.91 3hsi s GLU 228 Ca 0.80 0.04 -0.15 0.00 -0.15 0.00 0.00 54.97 55.52 3hsi s GLU 228 Cb -0.62 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.38 3hsi s GLU 228 CO 0.39 -0.30 0.70 0.71 0.95 0.00 0.00 175.26 177.71 3hsi s TYR 229 N -1.75 3.43 0.08 4.83 2.02 -1.26 -4.86 117.35 119.83 3hsi s TYR 229 Ca -0.03 1.19 0.09 0.00 -0.37 0.00 0.00 57.07 57.95 3hsi s TYR 229 Cb -0.00 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 3hsi s TYR 229 CO 0.01 0.17 -0.24 -1.12 -1.57 0.00 0.00 175.55 172.79 3hsi s SER 230 N -2.17 3.40 0.11 2.29 0.01 -1.26 -5.03 113.70 111.06 3hsi s SER 230 Ca 0.51 -0.61 0.09 0.00 1.31 0.00 0.00 55.95 57.25 3hsi s SER 230 Cb -0.12 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 3hsi s SER 230 CO 0.18 0.23 -0.23 -0.76 0.41 0.00 0.00 173.24 173.07 3hsi s LEU 231 N -1.63 2.31 -0.19 2.44 1.43 -1.26 -4.63 118.68 117.15 3hsi s LEU 231 Ca 0.14 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 3hsi s LEU 231 Cb -0.10 -0.98 -0.20 0.00 0.03 0.00 0.00 46.19 44.94 3hsi s LEU 231 CO 0.05 0.09 0.20 0.29 0.23 0.00 0.00 176.35 177.21 3hsi n LYS 232 N 1.03 0.62 -2.23 1.70 5.02 -1.26 -4.55 118.16 118.49 3hsi n LYS 232 Ca -0.19 0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 3hsi n LYS 232 Cb 0.53 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3hsi n LYS 232 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hsi n SER 233 N -4.16 5.94 -4.86 4.39 3.41 -1.26 -5.03 113.62 112.05 3hsi n SER 233 Ca -0.34 -3.77 -0.34 0.00 -0.26 0.00 0.00 58.87 54.16 3hsi n SER 233 Cb 0.80 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3hsi n SER 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hsi s ALA 234 N -3.77 3.60 0.07 7.33 0.00 -1.26 -4.68 121.76 123.05 3hsi s ALA 234 Ca 0.50 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3hsi s ALA 234 Cb 0.42 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3hsi s ALA 234 CO -0.28 0.50 -0.11 0.54 0.00 0.00 0.00 175.76 176.41 3hsi s VAL 235 N -1.60 0.89 0.29 0.00 0.11 -0.79 -4.79 120.40 114.50 3hsi s VAL 235 Ca 0.41 -1.38 -0.15 0.00 -2.93 0.00 0.00 61.98 57.93 3hsi s VAL 235 Cb -0.13 -1.07 -0.09 0.00 -1.53 0.00 0.00 36.38 33.57 3hsi s VAL 235 CO 0.20 -0.40 0.70 -0.54 -3.33 0.00 0.00 175.10 171.72 3hsi s LYS 236 N -2.13 4.01 -1.28 1.54 1.02 -1.26 -1.35 119.74 120.28 3hsi s LYS 236 Ca -0.01 0.63 -0.13 0.00 0.02 0.00 0.00 55.97 56.48 3hsi s LYS 236 Cb -0.07 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3hsi s LYS 236 CO 0.01 0.23 0.58 1.28 -0.92 0.00 0.00 175.35 176.52 3hsi n LEU 237 N -0.13 -2.11 -4.70 3.17 4.77 -1.26 -4.94 117.00 111.80 3hsi n LEU 237 Ca 0.02 -1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 54.62 3hsi n LEU 237 Cb 0.53 -2.17 0.14 0.00 -2.33 0.00 0.00 43.42 39.59 3hsi n LEU 237 CO 0.42 0.51 0.69 -2.16 -1.33 0.00 0.00 177.39 175.52 3hsi s PRO 238 N -6.51 1.40 -0.33 3.23 0.04 -1.26 -4.94 135.00 126.63 3hsi s PRO 238 Ca 0.26 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.84 3hsi s PRO 238 Cb -0.11 -1.78 0.55 0.00 0.04 0.00 0.00 34.50 33.21 3hsi s PRO 238 CO 0.90 -2.33 1.59 0.09 0.04 0.00 0.00 177.00 177.29 3hsi n ASN 239 N -3.96 2.84 -4.01 6.66 3.02 -1.26 -4.90 115.26 113.65 3hsi n ASN 239 Ca 0.11 -3.73 -0.09 0.00 -0.03 0.00 0.00 54.58 50.85 3hsi n ASN 239 Cb 0.52 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 3hsi n ASN 239 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hsi s VAL 240 N -3.26 0.15 0.02 2.41 0.11 -1.26 -4.80 120.40 113.77 3hsi s VAL 240 Ca 0.48 -1.11 -0.39 0.00 -2.93 0.00 0.00 61.98 58.03 3hsi s VAL 240 Cb 0.43 -0.55 -0.18 0.00 -1.53 0.00 0.00 36.38 34.55 3hsi s VAL 240 CO 0.03 -0.61 1.23 -0.11 -3.33 0.00 0.00 175.10 172.32 3hsi n LEU 241 N 1.27 0.89 -3.89 2.54 7.94 -1.26 -4.69 117.00 119.80 3hsi n LEU 241 Ca -0.22 1.14 -0.09 0.00 -1.11 0.00 0.00 56.01 55.73 3hsi n LEU 241 Cb 0.56 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.40 3hsi n LEU 241 CO 0.22 -1.43 0.11 -0.44 -1.11 0.00 0.00 177.39 174.74 3hsi s SER 242 N 0.41 -0.08 0.00 1.96 0.01 0.05 -0.85 113.70 115.20 3hsi s SER 242 Ca 0.88 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3hsi s SER 242 Cb -1.12 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 3hsi s SER 242 CO 0.53 -0.98 -0.05 0.54 0.41 0.00 0.00 173.24 173.69 3hsi s VAL 243 N -3.94 0.38 -0.18 3.43 0.11 0.61 -1.03 120.40 119.77 3hsi s VAL 243 Ca 0.15 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3hsi s VAL 243 Cb 0.01 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3hsi s VAL 243 CO 0.00 0.05 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.20 3hsi s SER 244 N -0.27 3.09 0.13 3.54 0.15 -0.05 -0.88 113.70 119.41 3hsi s SER 244 Ca 0.00 -0.77 -0.26 0.00 0.70 0.00 0.00 55.95 55.63 3hsi s SER 244 Cb -0.03 -1.05 -0.07 0.00 -1.71 0.00 0.00 66.02 63.16 3hsi s SER 244 CO -0.00 -0.17 0.79 -2.16 1.20 0.00 0.00 173.24 172.90 3hsi s PRO 245 N 1.53 4.56 0.06 5.44 0.04 -1.26 -1.03 135.00 144.34 3hsi s PRO 245 Ca -0.00 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3hsi s PRO 245 Cb -0.16 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 3hsi s PRO 245 CO -0.08 0.47 -0.12 -0.51 0.04 0.00 0.00 177.00 176.80 3hsi s LEU 246 N -0.78 2.27 0.07 -3.56 1.43 0.86 -4.61 118.68 114.36 3hsi s LEU 246 Ca 0.37 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3hsi s LEU 246 Cb -0.22 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 3hsi s LEU 246 CO 0.26 -0.12 -0.11 0.12 0.23 0.00 0.00 176.35 176.73 3hsi s PHE 247 N -1.33 0.98 -0.18 0.29 5.36 -1.26 -1.19 117.98 120.65 3hsi s PHE 247 Ca -0.04 -0.52 -0.21 0.00 -0.96 0.00 0.00 56.93 55.20 3hsi s PHE 247 Cb -0.10 -0.55 0.06 0.00 -0.34 0.00 0.00 43.02 42.08 3hsi s PHE 247 CO 0.02 -0.01 0.57 0.20 -1.46 0.00 0.00 175.22 174.53 3hsi s GLY 248 N -1.84 -0.43 -0.23 13.12 0.00 0.46 -2.89 107.32 115.51 3hsi s GLY 248 Ca -0.03 1.47 -0.04 0.00 0.00 0.00 0.00 44.72 46.12 3hsi s GLY 248 CO 0.01 1.23 0.40 -2.27 0.00 0.00 0.00 173.10 172.47 3hsi s LEU 249 N -0.03 -0.67 0.00 0.66 2.96 -1.26 -0.14 118.68 120.20 3hsi s LEU 249 Ca -0.03 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3hsi s LEU 249 Cb -0.04 1.24 0.00 0.00 0.50 0.00 0.00 46.19 47.89 3hsi s LEU 249 CO 0.02 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3hsi n GLY 250 N 5.38 1.45 0.17 7.98 0.00 -1.26 -4.59 105.19 114.33 3hsi n GLY 250 Ca -0.05 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 3hsi n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsi h ALA 251 N 0.00 0.06 -2.79 4.61 0.00 -1.69 -3.42 119.26 116.03 3hsi h ALA 251 Ca 0.00 -0.76 -0.62 0.00 0.00 0.00 0.00 54.91 53.53 3hsi h ALA 251 Cb 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3hsi h ALA 251 CO 0.00 0.72 -0.30 -1.12 0.00 0.00 0.00 179.25 178.54 3hsi s SER 252 N -7.36 6.60 -1.26 0.00 0.01 -1.26 -4.39 113.70 106.04 3hsi s SER 252 Ca -0.09 0.71 -0.07 0.00 1.31 0.00 0.00 55.95 57.81 3hsi s SER 252 Cb 0.06 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 64.11 3hsi s SER 252 CO 0.92 0.28 0.98 0.61 0.41 0.00 0.00 173.24 176.44 3hsi n GLY 253 N 2.32 -0.40 3.42 3.44 0.00 -1.26 -4.95 105.19 107.76 3hsi n GLY 253 Ca -0.15 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3hsi n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsi s ASN 254 N -3.19 6.20 0.19 1.61 3.84 -1.26 -4.92 114.94 117.41 3hsi s ASN 254 Ca 0.48 -1.11 -0.10 0.00 0.21 0.00 0.00 52.86 52.34 3hsi s ASN 254 Cb -0.21 -2.27 0.09 0.00 -0.55 0.00 0.00 41.25 38.31 3hsi s ASN 254 CO 0.60 -0.89 1.71 -0.08 -2.79 0.00 0.00 177.10 175.65 3hsi h GLU 255 N 8.99 1.04 0.14 0.43 4.81 -1.93 0.12 114.58 128.17 3hsi h GLU 255 Ca -0.28 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 3hsi h GLU 255 Cb 1.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3hsi h GLU 255 CO 0.98 0.92 -0.07 1.25 -0.73 0.00 0.00 179.01 181.36 3hsi h LEU 256 N 0.96 -0.16 -1.02 1.64 5.85 -1.88 -0.57 115.31 120.14 3hsi h LEU 256 Ca 0.21 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3hsi h LEU 256 Cb 0.33 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3hsi h LEU 256 CO -0.00 -0.06 -0.03 0.78 -0.34 0.00 0.00 178.44 178.78 3hsi h ASN 257 N -0.25 0.64 -0.58 1.25 2.35 -1.81 -0.76 115.58 116.42 3hsi h ASN 257 Ca -0.02 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3hsi h ASN 257 Cb 0.19 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3hsi h ASN 257 CO 0.03 0.73 0.26 1.56 -1.65 0.00 0.00 177.43 178.36 3hsi h GLN 258 N 0.63 0.85 -0.27 0.81 4.20 -0.72 -1.65 115.11 118.96 3hsi h GLN 258 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hsi h GLN 258 Cb 0.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3hsi h GLN 258 CO 0.02 0.70 0.17 0.28 -0.67 0.00 0.00 178.83 179.34 3hsi h VAL 259 N 0.79 1.07 -0.32 -0.54 2.07 -0.63 0.65 116.25 119.33 3hsi h VAL 259 Ca 0.20 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3hsi h VAL 259 Cb 0.15 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3hsi h VAL 259 CO -0.02 0.07 0.10 0.40 0.02 0.00 0.00 177.57 178.13 3hsi h ILE 260 N 0.36 0.89 -0.60 4.57 2.04 -1.04 0.14 117.51 123.87 3hsi h ILE 260 Ca 0.10 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3hsi h ILE 260 Cb -0.04 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3hsi h ILE 260 CO -0.02 0.04 0.31 -0.33 0.00 0.00 0.00 178.15 178.15 3hsi h GLU 261 N 0.23 0.57 -0.31 2.37 5.08 -1.05 -1.71 114.58 119.75 3hsi h GLU 261 Ca 0.15 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3hsi h GLU 261 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3hsi h GLU 261 CO -0.16 0.37 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.53 3hsi h ASP 262 N 0.58 0.63 -0.31 1.42 3.32 -0.37 -2.45 116.42 119.25 3hsi h ASP 262 Ca 0.27 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.15 3hsi h ASP 262 Cb 0.20 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3hsi h ASP 262 CO -0.19 0.87 0.01 -0.07 -1.72 0.00 0.00 179.24 178.14 3hsi h LEU 263 N 0.55 -0.10 -0.65 1.55 3.38 -0.33 -1.64 115.31 118.07 3hsi h LEU 263 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hsi h LEU 263 Cb 0.73 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3hsi h LEU 263 CO 0.06 -0.02 0.42 -0.26 0.09 0.00 0.00 178.44 178.73 3hsi h PHE 264 N 0.10 0.82 0.00 1.13 -1.00 -1.20 -2.56 116.94 114.23 3hsi h PHE 264 Ca 0.15 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.89 3hsi h PHE 264 Cb 0.19 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3hsi h PHE 264 CO -0.22 0.52 -0.25 -0.07 -1.61 0.00 0.00 178.31 176.69 3hsi h LEU 265 N 0.88 0.00 -1.99 1.54 3.38 -1.16 -3.16 115.31 114.80 3hsi h LEU 265 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hsi h LEU 265 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hsi h LEU 265 CO -0.05 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.73 3hsi n GLN 266 N -3.90 2.29 -1.68 1.13 1.13 -0.64 -4.93 117.38 110.78 3hsi n GLN 266 Ca -0.02 -1.96 -0.42 0.00 -1.94 0.00 0.00 57.00 52.66 3hsi n GLN 266 Cb 0.33 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 3hsi n GLN 266 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3hsi n VAL 267 N 1.16 0.49 0.46 5.09 0.31 -1.15 -4.87 118.33 119.82 3hsi n VAL 267 Ca 0.19 -0.09 0.06 0.00 -0.01 0.00 0.00 64.34 64.49 3hsi n VAL 267 Cb 0.52 -2.21 0.05 0.00 -0.91 0.00 0.00 33.84 31.29 3hsi n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hsi n GLN 268 N 6.22 0.70 0.19 5.55 1.13 -1.26 -4.88 117.38 125.02 3hsi n GLN 268 Ca 0.18 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.02 3hsi n GLN 268 Cb 0.39 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.51 3hsi n GLN 268 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3hsi n LYS 269 N 0.65 0.00 -3.69 -1.09 4.81 -1.26 -5.03 118.16 112.56 3hsi n LYS 269 Ca 0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.41 3hsi n LYS 269 Cb 0.30 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.24 3hsi n LYS 269 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3hsi s LYS 270 N -2.00 0.37 -0.12 1.64 2.47 -1.26 -0.96 119.74 119.87 3hsi s LYS 270 Ca 0.00 0.84 -0.01 0.00 -1.56 0.00 0.00 55.97 55.24 3hsi s LYS 270 Cb 0.00 0.05 -0.02 0.00 -1.46 0.00 0.00 37.83 36.40 3hsi s LYS 270 CO 0.00 -0.18 -0.08 -1.17 0.16 0.00 0.00 175.35 174.07 3hsi s LEU 271 N 1.70 3.00 -0.07 5.43 0.20 -0.02 -0.27 118.68 128.66 3hsi s LEU 271 Ca -0.07 -0.19 0.06 0.00 0.69 0.00 0.00 54.13 54.61 3hsi s LEU 271 Cb -0.09 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.97 3hsi s LEU 271 CO -0.13 0.21 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.21 3hsi s VAL 272 N 0.09 2.01 -0.05 1.68 1.01 -0.14 -0.79 120.40 124.21 3hsi s VAL 272 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3hsi s VAL 272 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3hsi s VAL 272 CO 0.04 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.99 3hsi s ILE 273 N -0.04 0.76 -0.10 2.22 1.01 -0.37 -0.88 121.20 123.81 3hsi s ILE 273 Ca -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 3hsi s ILE 273 Cb -0.14 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3hsi s ILE 273 CO 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 174.94 175.21 3hsi s THR 275 N -0.50 0.00 0.12 0.00 -1.32 -1.05 -1.96 115.64 110.93 3hsi s THR 275 Ca 0.08 -0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.37 3hsi s THR 275 Cb -0.12 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 3hsi s THR 275 CO 0.02 -0.00 1.73 -0.65 -2.21 0.00 0.00 174.62 173.51 3hsi h PRO 276 N 5.58 0.38 -6.07 7.08 0.11 -1.80 -3.40 132.00 133.88 3hsi h PRO 276 Ca -0.26 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 65.15 3hsi h PRO 276 Cb 1.19 -0.08 -0.31 0.00 0.11 0.00 0.00 31.00 31.91 3hsi h PRO 276 CO 0.29 0.32 -0.87 0.71 -0.21 0.00 0.00 178.00 178.23 3hsi s TYR 277 N -5.91 2.16 -0.56 0.65 2.02 -1.26 -3.70 117.35 110.76 3hsi s TYR 277 Ca -0.13 -0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 55.77 3hsi s TYR 277 Cb 0.09 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 3hsi s TYR 277 CO 0.71 -0.12 1.79 0.12 -1.57 0.00 0.00 175.55 176.48 3hsi s PHE 278 N -0.33 1.77 -0.41 2.71 5.36 -1.26 -4.72 117.98 121.09 3hsi s PHE 278 Ca 0.03 0.71 0.04 0.00 -0.96 0.00 0.00 56.93 56.75 3hsi s PHE 278 Cb -0.11 -4.14 0.29 0.00 -0.34 0.00 0.00 43.02 38.72 3hsi s PHE 278 CO 0.01 -2.38 1.15 -1.71 -1.46 0.00 0.00 175.22 170.83 3hsi n ASN 279 N 11.88 -2.05 -4.82 6.13 5.15 -1.26 -4.72 115.26 125.57 3hsi n ASN 279 Ca 0.20 -2.84 -0.33 0.00 -0.60 0.00 0.00 54.58 51.00 3hsi n ASN 279 Cb 0.51 1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 41.21 3hsi n ASN 279 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3hsi s PHE 280 N 0.30 3.30 0.63 1.20 0.08 -1.26 -4.09 117.98 118.14 3hsi s PHE 280 Ca 0.25 1.60 -0.18 0.00 0.12 0.00 0.00 56.93 58.72 3hsi s PHE 280 Cb 0.26 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3hsi s PHE 280 CO -0.14 -0.16 1.19 -1.25 -0.10 0.00 0.00 175.22 174.77 3hsi s PRO 281 N -3.23 2.80 0.39 0.24 0.04 -1.25 -4.68 135.00 129.31 3hsi s PRO 281 Ca 0.62 1.76 0.13 0.00 0.04 0.00 0.00 61.00 63.55 3hsi s PRO 281 Cb -0.09 -1.91 0.95 0.00 0.04 0.00 0.00 34.50 33.48 3hsi s PRO 281 CO 0.14 -1.33 1.88 0.07 0.04 0.00 0.00 177.00 177.81 3hsi h ARG 282 N 0.56 0.53 -0.79 4.56 -0.00 -1.98 -0.81 114.38 116.45 3hsi h ARG 282 Ca -0.49 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 59.42 3hsi h ARG 282 Cb 1.29 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.97 31.11 3hsi h ARG 282 CO 0.54 0.35 0.36 0.00 -0.00 0.00 0.00 179.97 181.22 3hsi h THR 283 N 0.54 1.25 0.00 0.08 1.03 -2.00 -0.58 112.91 113.23 3hsi h THR 283 Ca 0.43 -0.72 -0.18 0.00 -0.01 0.00 0.00 66.41 65.92 3hsi h THR 283 Cb 0.86 0.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.18 3hsi h THR 283 CO -0.17 0.30 -0.85 -0.07 -0.01 0.00 0.00 175.52 174.72 3hsi h LEU 284 N 1.12 0.11 -0.59 0.00 3.38 -1.56 -2.58 115.31 115.19 3hsi h LEU 284 Ca 0.27 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3hsi h LEU 284 Cb 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hsi h LEU 284 CO -0.03 0.91 0.35 1.56 0.09 0.00 0.00 178.44 181.31 3hsi h GLN 285 N 0.04 0.66 -0.38 1.13 4.20 -0.57 -1.80 115.11 118.39 3hsi h GLN 285 Ca -0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3hsi h GLN 285 Cb 1.49 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 3hsi h GLN 285 CO 0.12 0.43 0.06 1.25 -0.67 0.00 0.00 178.83 180.03 3hsi h HIS 286 N 0.68 0.67 -0.60 2.96 2.76 -1.07 -2.07 115.15 118.49 3hsi h HIS 286 Ca 0.25 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3hsi h HIS 286 Cb 0.07 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 3hsi h HIS 286 CO -0.07 0.67 0.18 0.87 -1.30 0.00 0.00 177.93 178.29 3hsi h LYS 287 N 0.48 0.91 -0.61 5.26 1.57 -1.26 -0.56 116.57 122.36 3hsi h LYS 287 Ca 0.12 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3hsi h LYS 287 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hsi h LYS 287 CO 0.01 0.79 0.14 0.82 -0.57 0.00 0.00 179.45 180.63 3hsi h ILE 288 N 0.88 1.25 -0.54 1.86 2.04 -1.27 -2.03 117.51 119.71 3hsi h ILE 288 Ca 0.20 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3hsi h ILE 288 Cb 0.26 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3hsi h ILE 288 CO -0.01 0.35 0.24 0.00 0.00 0.00 0.00 178.15 178.73 3hsi h ALA 289 N 1.04 0.69 -0.65 1.87 0.00 -0.71 -1.16 119.26 120.35 3hsi h ALA 289 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hsi h ALA 289 Cb 0.37 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hsi h ALA 289 CO 0.00 0.27 0.41 1.15 0.00 0.00 0.00 179.25 181.09 3hsi h THR 290 N 0.72 1.10 -0.41 0.00 2.02 -1.01 -1.21 112.91 114.12 3hsi h THR 290 Ca 0.18 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3hsi h THR 290 Cb 0.14 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3hsi h THR 290 CO -0.02 0.15 0.22 -0.07 0.37 0.00 0.00 175.52 176.17 3hsi h LEU 291 N 0.81 0.51 -1.12 2.58 3.38 -1.06 -1.81 115.31 118.61 3hsi h LEU 291 Ca 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3hsi h LEU 291 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hsi h LEU 291 CO -0.09 0.46 0.02 -0.07 0.09 0.00 0.00 178.44 178.85 3hsi h LEU 292 N 0.53 0.60 -1.57 1.67 3.38 -0.93 -0.93 115.31 118.06 3hsi h LEU 292 Ca 0.14 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hsi h LEU 292 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hsi h LEU 292 CO -0.02 0.65 -0.17 -0.33 0.09 0.00 0.00 178.44 178.66 3hsi h GLU 293 N 0.60 0.00 -0.78 1.13 5.08 -0.91 -3.22 114.58 116.49 3hsi h GLU 293 Ca 0.13 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.15 3hsi h GLU 293 Cb 0.35 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.40 3hsi h GLU 293 CO 0.01 0.17 0.38 0.09 -1.00 0.00 0.00 179.01 178.66 3hsi n ASN 294 N -3.53 3.94 -1.43 1.42 3.02 -0.71 -4.92 115.26 113.04 3hsi n ASN 294 Ca -0.01 -3.48 -0.15 0.00 -0.03 0.00 0.00 54.58 50.91 3hsi n ASN 294 Cb 0.32 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 3hsi n ASN 294 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hsi n GLY 295 N -0.77 0.78 3.88 7.41 0.00 -1.17 -5.00 105.19 110.32 3hsi n GLY 295 Ca 0.48 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3hsi n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsi s LYS 296 N -3.94 3.76 0.02 1.61 -0.14 -0.42 -5.00 119.74 115.63 3hsi s LYS 296 Ca 0.00 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 54.67 3hsi s LYS 296 Cb 0.00 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.29 3hsi s LYS 296 CO 0.00 0.42 0.36 0.50 -0.76 0.00 0.00 175.35 175.88 3hsi s ARG 297 N -2.51 3.77 -0.04 1.68 3.52 -0.14 -4.29 118.95 120.94 3hsi s ARG 297 Ca 0.42 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.25 3hsi s ARG 297 Cb -0.12 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.17 3hsi s ARG 297 CO 0.21 0.64 -0.06 0.08 -0.81 0.00 0.00 175.30 175.37 3hsi s VAL 298 N -1.23 0.63 -0.12 7.11 1.01 -0.45 -0.84 120.40 126.52 3hsi s VAL 298 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3hsi s VAL 298 Cb -0.15 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.63 3hsi s VAL 298 CO 0.15 0.23 -0.16 -0.70 0.00 0.00 0.00 175.10 174.62 3hsi s GLU 299 N 0.67 2.36 -0.13 2.72 2.12 0.03 -0.54 118.70 125.92 3hsi s GLU 299 Ca -0.10 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.64 3hsi s GLU 299 Cb -0.13 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.28 3hsi s GLU 299 CO 0.01 -0.06 -0.19 0.42 -0.54 0.00 0.00 175.26 174.90 3hsi s ILE 300 N 0.97 2.39 -0.27 -3.70 1.01 0.81 -1.23 121.20 121.18 3hsi s ILE 300 Ca -0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 3hsi s ILE 300 Cb -0.15 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.39 3hsi s ILE 300 CO -0.02 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 174.77 3hsi s ILE 301 N 0.65 2.70 0.27 2.92 1.01 -0.12 -0.64 121.20 128.00 3hsi s ILE 301 Ca -0.10 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.27 3hsi s ILE 301 Cb -0.16 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 3hsi s ILE 301 CO 0.02 0.03 0.01 0.68 0.00 0.00 0.00 174.94 175.68 3hsi s VAL 302 N 1.23 1.20 0.40 2.92 -7.23 -0.26 -3.06 120.40 115.60 3hsi s VAL 302 Ca -0.04 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 3hsi s VAL 302 Cb -0.19 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.15 3hsi s VAL 302 CO -0.04 -0.21 1.03 -0.83 -0.31 0.00 0.00 175.10 174.75 3hsi s GLY 303 N -3.39 2.71 0.71 2.32 0.00 -1.24 -0.83 107.32 107.59 3hsi s GLY 303 Ca 0.31 0.65 -0.16 0.00 0.00 0.00 0.00 44.72 45.53 3hsi s GLY 303 CO 0.12 1.07 1.24 1.34 0.00 0.00 0.00 173.10 176.87 3hsi n ASP 304 N -0.08 1.63 -0.27 1.64 2.03 0.34 -4.72 116.55 117.12 3hsi n ASP 304 Ca 0.05 0.74 0.17 0.00 0.52 0.00 0.00 54.79 56.27 3hsi n ASP 304 Cb 0.50 -1.53 0.32 0.00 -0.72 0.00 0.00 41.12 39.69 3hsi n ASP 304 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3hsi n LYS 305 N -2.36 -0.06 0.21 -0.67 5.02 -1.26 -0.65 118.16 118.40 3hsi n LYS 305 Ca 0.15 1.18 0.07 0.00 -2.02 0.00 0.00 58.31 57.69 3hsi n LYS 305 Cb 0.49 -1.95 0.48 0.00 -0.02 0.00 0.00 35.03 34.02 3hsi n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hsi h VAL 306 N 0.00 0.89 -0.43 -0.18 2.07 -1.93 -2.77 116.25 113.90 3hsi h VAL 306 Ca 0.56 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3hsi h VAL 306 Cb 1.29 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3hsi h VAL 306 CO -0.71 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.15 3hsi n ALA 307 N -2.34 2.96 -2.80 1.67 0.00 0.18 -4.82 120.51 115.36 3hsi n ALA 307 Ca -0.01 -1.07 -0.36 0.00 0.00 0.00 0.00 53.44 52.00 3hsi n ALA 307 Cb 0.38 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 3hsi n ALA 307 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hsi s ASN 308 N -0.74 6.30 0.00 0.00 3.84 -1.04 -1.12 114.94 122.19 3hsi s ASN 308 Ca 0.34 0.35 0.26 0.00 0.21 0.00 0.00 52.86 54.03 3hsi s ASN 308 Cb 0.23 -2.08 1.31 0.00 -0.55 0.00 0.00 41.25 40.15 3hsi s ASN 308 CO 0.16 0.29 1.89 -0.90 -2.79 0.00 0.00 177.10 175.74 3hsi n ASP 309 N 2.79 0.00 -0.12 -4.21 5.68 -1.26 -2.09 116.55 117.35 3hsi n ASP 309 Ca -0.18 -0.03 0.14 0.00 -0.50 0.00 0.00 54.79 54.22 3hsi n ASP 309 Cb 0.53 -0.31 0.63 0.00 -1.14 0.00 0.00 41.12 40.84 3hsi n ASP 309 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3hsi n PHE 310 N -1.31 0.00 -2.15 2.11 3.72 -1.26 -4.93 117.46 113.64 3hsi n PHE 310 Ca 0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 3hsi n PHE 310 Cb 0.22 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3hsi n PHE 310 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hsi s TYR 311 N -2.44 3.02 -0.31 1.38 6.14 -0.89 -3.59 117.35 120.67 3hsi s TYR 311 Ca 0.30 0.82 -0.07 0.00 0.64 0.00 0.00 57.07 58.77 3hsi s TYR 311 Cb 0.20 -3.72 0.02 0.00 0.42 0.00 0.00 41.96 38.88 3hsi s TYR 311 CO 0.47 -2.62 0.09 0.42 0.64 0.00 0.00 175.55 174.54 3hsi s ILE 312 N 1.68 3.91 0.12 3.14 -1.09 -1.26 -5.03 121.20 122.66 3hsi s ILE 312 Ca 0.66 -0.82 -0.35 0.00 -2.23 0.00 0.00 60.65 57.90 3hsi s ILE 312 Cb -0.36 -3.07 -0.16 0.00 -1.58 0.00 0.00 42.46 37.29 3hsi s ILE 312 CO 0.29 0.01 1.27 -2.65 -1.23 0.00 0.00 174.94 172.63 3hsi n PRO 313 N 4.85 1.14 0.24 2.79 -0.02 -1.26 -4.82 135.00 137.92 3hsi n PRO 313 Ca -0.14 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 3hsi n PRO 313 Cb 0.47 -2.00 0.88 0.00 -0.02 0.00 0.00 33.50 32.84 3hsi n PRO 313 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hsi h PRO 314 N 4.10 0.00 0.00 0.52 0.13 -1.98 0.31 132.00 135.08 3hsi h PRO 314 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hsi h PRO 314 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3hsi h PRO 314 CO 0.75 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.57 3hsi h GLU 315 N 0.00 0.00 -6.76 0.86 9.09 -2.06 -3.45 114.58 112.26 3hsi h GLU 315 Ca 0.06 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 59.00 3hsi h GLU 315 Cb 0.42 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.55 3hsi h GLU 315 CO -0.00 0.00 -0.04 -0.65 0.05 0.00 0.00 179.01 178.37 3hsi s GLN 316 N -3.55 3.22 0.32 1.06 -0.21 0.10 -5.04 119.66 115.55 3hsi s GLN 316 Ca 0.02 -0.26 -0.29 0.00 0.02 0.00 0.00 55.36 54.85 3hsi s GLN 316 Cb 0.09 -2.51 -0.11 0.00 1.00 0.00 0.00 33.01 31.48 3hsi s GLN 316 CO 0.48 -0.23 1.57 -2.14 -2.12 0.00 0.00 175.29 172.85 3hsi s PRO 317 N -4.60 4.11 -0.04 2.91 0.02 -1.26 -4.91 135.00 131.23 3hsi s PRO 317 Ca 0.47 2.59 -0.20 0.00 0.02 0.00 0.00 61.00 63.88 3hsi s PRO 317 Cb -0.10 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.37 3hsi s PRO 317 CO 0.40 -0.61 0.57 0.12 -0.33 0.00 0.00 177.00 177.15 3hsi s PHE 318 N -0.33 3.63 0.00 6.54 5.36 -1.26 -5.02 117.98 126.89 3hsi s PHE 318 Ca 0.60 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 3hsi s PHE 318 Cb -0.48 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 3hsi s PHE 318 CO 0.53 0.28 0.00 1.63 -1.46 0.00 0.00 175.22 176.20 3hsi n LYS 319 N 3.07 0.00 0.00 10.12 4.76 -1.26 -5.08 118.16 129.77 3hsi n LYS 319 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3hsi n LYS 319 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3hsi n LYS 319 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hsi n ALA 321 N -3.00 0.00 0.28 7.82 0.00 -1.26 -4.09 120.51 120.26 3hsi n ALA 321 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3hsi n ALA 321 Cb 0.00 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.45 3hsi n ALA 321 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hsi h GLY 322 N 0.00 0.00 2.00 0.00 0.00 -1.96 -2.01 103.07 101.10 3hsi h GLY 322 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hsi h GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3hsi n ALA 323 N -1.98 2.16 -0.08 3.60 0.00 -1.26 -4.15 120.51 118.80 3hsi n ALA 323 Ca -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3hsi n ALA 323 Cb 0.07 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3hsi n ALA 323 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hsi h LEU 324 N 0.00 0.34 -1.63 0.00 3.38 -1.70 -1.66 115.31 114.04 3hsi h LEU 324 Ca 0.00 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hsi h LEU 324 Cb 0.60 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hsi h LEU 324 CO 0.00 0.29 0.36 -0.65 0.09 0.00 0.00 178.44 178.53 3hsi h PRO 325 N 0.37 0.43 -0.01 1.13 0.11 -1.79 -1.86 132.00 130.38 3hsi h PRO 325 Ca 0.10 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 3hsi h PRO 325 Cb 0.00 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3hsi h PRO 325 CO -0.02 0.29 -0.79 1.88 -0.21 0.00 0.00 178.00 179.14 3hsi h TYR 326 N 0.45 0.20 -0.22 0.65 0.05 -1.69 -0.99 116.97 115.42 3hsi h TYR 326 Ca 0.24 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.93 3hsi h TYR 326 Cb 0.38 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3hsi h TYR 326 CO -0.00 0.87 0.14 1.25 -1.05 0.00 0.00 178.16 179.37 3hsi h LEU 327 N 0.08 0.23 -0.40 3.88 5.85 -0.62 -1.85 115.31 122.48 3hsi h LEU 327 Ca -0.03 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3hsi h LEU 327 Cb 1.39 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3hsi h LEU 327 CO 0.12 0.17 -0.17 1.88 -0.34 0.00 0.00 178.44 180.09 3hsi h TYR 328 N 0.28 0.95 -0.75 1.25 0.05 -1.19 -1.87 116.97 115.69 3hsi h TYR 328 Ca 0.08 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 3hsi h TYR 328 Cb -0.02 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 3hsi h TYR 328 CO -0.07 0.99 0.25 1.49 -1.05 0.00 0.00 178.16 179.77 3hsi h GLU 329 N 0.64 1.15 -0.07 4.88 4.81 -1.16 -0.91 114.58 123.93 3hsi h GLU 329 Ca 0.09 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 3hsi h GLU 329 Cb 0.72 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3hsi h GLU 329 CO 0.05 0.96 -0.48 1.03 -0.73 0.00 0.00 179.01 179.85 3hsi h SER 330 N 1.11 0.18 -0.69 1.04 0.87 -1.25 0.69 113.55 115.49 3hsi h SER 330 Ca 0.25 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3hsi h SER 330 Cb 0.28 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3hsi h SER 330 CO -0.01 0.63 0.21 0.78 -0.53 0.00 0.00 176.83 177.91 3hsi h ASN 331 N 0.14 1.02 -0.67 6.23 4.21 -0.90 -2.75 115.58 122.86 3hsi h ASN 331 Ca 0.01 -0.21 0.02 0.00 1.21 0.00 0.00 56.30 57.32 3hsi h ASN 331 Cb 0.89 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 3hsi h ASN 331 CO 0.07 0.96 0.43 0.25 -1.29 0.00 0.00 177.43 177.85 3hsi h LEU 332 N 1.02 0.72 -0.06 1.61 5.85 -0.40 -2.78 115.31 121.28 3hsi h LEU 332 Ca 0.22 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hsi h LEU 332 Cb 0.31 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hsi h LEU 332 CO -0.01 0.51 0.03 -0.09 -0.34 0.00 0.00 178.44 178.55 3hsi h ARG 333 N 0.86 0.08 -0.87 1.25 2.43 -0.76 0.92 114.38 118.28 3hsi h ARG 333 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3hsi h ARG 333 Cb -0.04 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3hsi h ARG 333 CO -0.08 0.09 0.48 0.00 -1.51 0.00 0.00 179.97 178.95 3hsi h ARG 334 N 0.04 1.22 -0.57 0.20 3.08 -1.51 0.10 114.38 116.94 3hsi h ARG 334 Ca 0.02 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3hsi h ARG 334 Cb 0.04 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3hsi h ARG 334 CO -0.00 0.89 0.23 0.35 -1.07 0.00 0.00 179.97 180.37 3hsi h PHE 335 N 1.22 0.86 0.00 3.04 3.57 -1.16 0.39 116.94 124.87 3hsi h PHE 335 Ca 0.31 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3hsi h PHE 335 Cb 0.03 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3hsi h PHE 335 CO 0.01 0.70 -0.34 0.00 -2.23 0.00 0.00 178.31 176.45 3hsi h GLU 337 N 0.00 0.38 -0.68 0.00 4.81 -0.72 -2.70 114.58 115.67 3hsi h GLU 337 Ca -0.00 -0.20 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3hsi h GLU 337 Cb 0.76 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.08 3hsi h GLU 337 CO 0.04 0.76 0.30 -0.22 -0.73 0.00 0.00 179.01 179.17 3hsi h LYS 338 N 0.01 0.49 -0.99 1.92 3.64 -0.66 -2.93 116.57 118.05 3hsi h LYS 338 Ca 0.02 -0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 3hsi h LYS 338 Cb 0.70 -0.11 -0.33 0.00 -0.41 0.00 0.00 32.23 32.08 3hsi h LYS 338 CO 0.04 0.33 0.38 1.19 -2.27 0.00 0.00 179.45 179.11 3hsi n PHE 339 N -4.93 3.09 -0.26 1.91 3.72 -0.83 -4.74 117.46 115.43 3hsi n PHE 339 Ca 0.10 -2.78 -0.02 0.00 -0.05 0.00 0.00 57.45 54.71 3hsi n PHE 339 Cb 0.29 -1.10 0.10 0.00 -0.94 0.00 0.00 39.48 37.83 3hsi n PHE 339 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3hsi h GLU 340 N 2.11 0.81 -0.02 -1.08 4.81 -1.28 -0.25 114.58 119.68 3hsi h GLU 340 Ca 0.53 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.58 3hsi h GLU 340 Cb 0.98 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 3hsi h GLU 340 CO 1.34 0.53 -0.61 1.79 -0.73 0.00 0.00 179.01 181.33 3hsi h THR 341 N 0.83 1.43 -0.25 0.32 1.35 -1.87 -1.39 112.91 113.32 3hsi h THR 341 Ca 0.31 -2.08 -0.16 0.00 -0.55 0.00 0.00 66.41 63.94 3hsi h THR 341 Cb 0.12 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3hsi h THR 341 CO -0.15 0.60 -0.48 1.56 -0.25 0.00 0.00 175.52 176.80 3hsi h GLN 342 N 0.05 0.67 -0.26 4.72 7.50 -1.82 -0.96 115.11 125.01 3hsi h GLN 342 Ca -0.01 -0.38 -0.00 0.00 0.50 0.00 0.00 58.65 58.76 3hsi h GLN 342 Cb 1.10 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.64 3hsi h GLN 342 CO 0.08 1.00 0.15 0.82 -1.50 0.00 0.00 178.83 179.38 3hsi h ILE 343 N 0.53 1.11 -0.03 2.54 1.08 -0.81 -0.94 117.51 121.00 3hsi h ILE 343 Ca 0.03 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 3hsi h ILE 343 Cb 1.03 0.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 3hsi h ILE 343 CO 0.10 0.11 -0.35 -0.33 -0.69 0.00 0.00 178.15 176.99 3hsi h GLU 344 N 0.31 0.05 0.00 2.37 4.39 -1.17 -2.76 114.58 117.76 3hsi h GLU 344 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3hsi h GLU 344 Cb 0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3hsi h GLU 344 CO -0.02 0.40 -0.25 -1.13 -1.16 0.00 0.00 179.01 176.85 3hsi n SER 345 N -4.11 0.71 0.00 1.42 3.41 -0.37 -4.92 113.62 109.75 3hsi n SER 345 Ca -0.02 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3hsi n SER 345 Cb 0.40 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3hsi n SER 345 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsi n GLY 346 N 1.34 0.69 0.14 5.00 0.00 -0.87 -4.94 105.19 106.55 3hsi n GLY 346 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3hsi n GLY 346 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hsi h GLN 347 N 4.14 0.10 -5.19 1.61 4.15 -1.48 -3.41 115.11 115.03 3hsi h GLN 347 Ca 0.00 -0.08 -0.66 0.00 0.77 0.00 0.00 58.65 58.68 3hsi h GLN 347 Cb 0.00 0.02 -0.30 0.00 0.21 0.00 0.00 27.48 27.41 3hsi h GLN 347 CO 0.00 0.74 -0.79 -1.17 -1.93 0.00 0.00 178.83 175.68 3hsi s LEU 348 N -7.61 2.55 -0.20 -2.39 2.96 -0.53 -1.34 118.68 112.12 3hsi s LEU 348 Ca -0.02 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3hsi s LEU 348 Cb 0.12 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.26 3hsi s LEU 348 CO 0.79 0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 175.06 3hsi s VAL 349 N 0.82 1.91 -0.18 1.68 1.01 0.30 -4.18 120.40 121.75 3hsi s VAL 349 Ca -0.05 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3hsi s VAL 349 Cb -0.15 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3hsi s VAL 349 CO 0.00 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3hsi s VAL 350 N 1.30 2.95 -0.06 2.92 1.01 -1.26 -0.13 120.40 127.13 3hsi s VAL 350 Ca 0.01 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3hsi s VAL 350 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3hsi s VAL 350 CO -0.10 0.48 -0.25 -0.13 0.00 0.00 0.00 175.10 175.11 3hsi s ARG 351 N 1.08 2.58 -0.19 2.72 0.52 0.19 -0.86 118.95 124.98 3hsi s ARG 351 Ca 0.00 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.27 3hsi s ARG 351 Cb -0.15 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 3hsi s ARG 351 CO -0.03 0.36 -0.01 -0.51 0.02 0.00 0.00 175.30 175.14 3hsi s LEU 352 N -0.12 3.26 -0.08 2.53 1.43 -0.70 -1.10 118.68 123.90 3hsi s LEU 352 Ca -0.05 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3hsi s LEU 352 Cb -0.14 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3hsi s LEU 352 CO 0.04 0.09 0.34 0.86 0.23 0.00 0.00 176.35 177.91 3hsi s TRP 353 N 0.84 3.60 -0.21 0.29 -0.00 -0.01 -0.76 118.94 122.69 3hsi s TRP 353 Ca 0.00 0.79 -0.10 0.00 -0.00 0.00 0.00 56.10 56.79 3hsi s TRP 353 Cb -0.14 -2.29 0.08 0.00 -0.00 0.00 0.00 33.47 31.12 3hsi s TRP 353 CO 0.02 0.48 0.50 0.50 -0.00 0.00 0.00 176.95 178.44 3hsi s ARG 354 N -0.39 0.47 -0.44 5.86 3.52 -0.23 -0.50 118.95 127.24 3hsi s ARG 354 Ca 0.20 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 56.84 3hsi s ARG 354 Cb -0.15 0.16 0.16 0.00 -1.56 0.00 0.00 34.95 33.56 3hsi s ARG 354 CO 0.09 -0.18 0.33 0.34 -0.81 0.00 0.00 175.30 175.07 3hsi s ASP 355 N 1.82 2.24 1.99 -2.12 2.15 -1.26 -4.73 116.67 116.76 3hsi s ASP 355 Ca -0.08 -2.97 0.00 0.00 0.43 0.00 0.00 52.55 49.93 3hsi s ASP 355 Cb -0.09 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 3hsi s ASP 355 CO -0.15 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 3hsi n GLY 356 N 3.00 4.26 0.41 2.66 0.00 -1.26 -1.93 105.19 112.33 3hsi n GLY 356 Ca 0.24 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.54 3hsi n GLY 356 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hsi n ASP 357 N 9.14 1.73 -4.76 1.61 2.03 -1.26 -4.80 116.55 120.24 3hsi n ASP 357 Ca 0.00 -1.33 -0.32 0.00 0.52 0.00 0.00 54.79 53.66 3hsi n ASP 357 Cb 0.00 0.44 0.08 0.00 -0.72 0.00 0.00 41.12 40.91 3hsi n ASP 357 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3hsi s ASN 358 N -2.52 4.63 0.39 1.67 0.01 -0.81 -4.94 114.94 113.36 3hsi s ASN 358 Ca 0.19 1.97 0.08 0.00 -0.71 0.00 0.00 52.86 54.38 3hsi s ASN 358 Cb 0.18 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 3hsi s ASN 358 CO 0.58 -1.95 0.03 0.42 -1.51 0.00 0.00 177.10 174.67 3hsi s THR 359 N -2.57 2.19 -0.13 1.60 -4.23 -0.85 -4.43 115.64 107.22 3hsi s THR 359 Ca 0.65 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3hsi s THR 359 Cb -0.20 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.74 3hsi s THR 359 CO 0.49 -0.06 -0.18 -0.47 -0.54 0.00 0.00 174.62 173.86 3hsi s TYR 360 N -2.64 2.34 -0.25 3.99 5.04 -0.27 -0.33 117.35 125.23 3hsi s TYR 360 Ca 0.36 -1.20 0.22 0.00 -2.44 0.00 0.00 57.07 54.01 3hsi s TYR 360 Cb 0.06 -1.65 0.50 0.00 0.35 0.00 0.00 41.96 41.23 3hsi s TYR 360 CO 0.19 -0.59 1.12 1.58 -1.34 0.00 0.00 175.55 176.50 3hsi n HIS 361 N 4.29 1.27 -2.88 4.97 -0.00 0.14 -4.78 115.22 118.22 3hsi n HIS 361 Ca -0.19 -2.08 -0.40 0.00 0.46 0.00 0.00 57.72 55.51 3hsi n HIS 361 Cb 0.51 -0.23 -0.05 0.00 -0.12 0.00 0.00 29.99 30.10 3hsi n HIS 361 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3hsi s LEU 362 N -3.65 4.49 -0.03 0.27 1.43 -1.19 -4.49 118.68 115.51 3hsi s LEU 362 Ca 0.28 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 3hsi s LEU 362 Cb 0.33 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 3hsi s LEU 362 CO -0.04 0.01 -0.12 -0.54 0.23 0.00 0.00 176.35 175.89 3hsi s LYS 363 N -0.19 1.20 -0.29 1.70 1.02 -1.26 -2.51 119.74 119.40 3hsi s LYS 363 Ca 0.41 -0.41 -0.33 0.00 0.02 0.00 0.00 55.97 55.67 3hsi s LYS 363 Cb -0.22 -1.09 0.18 0.00 -0.52 0.00 0.00 37.83 36.18 3hsi s LYS 363 CO 0.26 0.17 1.37 0.20 -0.92 0.00 0.00 175.35 176.43 3hsi s GLY 364 N 0.09 -0.02 -0.07 -3.33 0.00 -0.83 -4.68 107.32 98.48 3hsi s GLY 364 Ca -0.02 2.49 0.02 0.00 0.00 0.00 0.00 44.72 47.21 3hsi s GLY 364 CO 0.01 0.93 -0.11 0.14 0.00 0.00 0.00 173.10 174.06 3hsi s VAL 365 N -1.41 1.10 -0.10 1.40 1.01 -1.22 -0.77 120.40 120.42 3hsi s VAL 365 Ca 0.10 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3hsi s VAL 365 Cb -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3hsi s VAL 365 CO -0.06 0.35 -0.16 0.26 0.00 0.00 0.00 175.10 175.49 3hsi s TRP 366 N 0.80 1.96 -0.22 5.22 0.51 -0.05 -0.98 118.94 126.18 3hsi s TRP 366 Ca -0.12 -0.85 -0.03 0.00 -2.12 0.00 0.00 56.10 52.98 3hsi s TRP 366 Cb -0.15 -1.39 0.00 0.00 -0.81 0.00 0.00 33.47 31.12 3hsi s TRP 366 CO 0.02 -0.41 -0.07 0.08 -0.51 0.00 0.00 176.95 176.06 3hsi s VAL 367 N 0.76 3.08 0.00 4.03 1.01 -0.15 -0.97 120.40 128.17 3hsi s VAL 367 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3hsi s VAL 367 Cb -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3hsi s VAL 367 CO 0.02 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.00 3hsi n ASP 368 N 4.75 0.00 -1.20 3.32 8.00 0.63 -1.85 116.55 130.19 3hsi n ASP 368 Ca -0.18 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.29 3hsi n ASP 368 Cb 0.50 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.82 3hsi n ASP 368 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hsi n ASP 369 N -0.11 2.99 -0.04 -2.24 8.00 -1.26 -4.69 116.55 119.20 3hsi n ASP 369 Ca 0.00 -3.56 -0.05 0.00 0.71 0.00 0.00 54.79 51.89 3hsi n ASP 369 Cb 0.00 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.42 3hsi n ASP 369 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hsi n ARG 370 N -0.95 1.20 -4.75 -1.24 1.74 -0.77 -4.58 116.66 107.31 3hsi n ARG 370 Ca 0.33 0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 57.19 3hsi n ARG 370 Cb 1.06 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 31.17 3hsi n ARG 370 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hsi s TYR 371 N -2.17 1.53 -0.21 -1.55 2.02 -0.85 -0.18 117.35 115.95 3hsi s TYR 371 Ca -0.09 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3hsi s TYR 371 Cb 0.03 -1.03 0.07 0.00 -0.40 0.00 0.00 41.96 40.62 3hsi s TYR 371 CO 0.23 -0.13 0.05 0.42 -1.57 0.00 0.00 175.55 174.55 3hsi s ILE 372 N -0.02 0.47 -0.22 2.71 -1.09 0.04 -0.98 121.20 122.11 3hsi s ILE 372 Ca -0.02 -0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 57.64 3hsi s ILE 372 Cb -0.10 -1.05 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 3hsi s ILE 372 CO 0.01 -0.29 0.34 -0.22 -1.23 0.00 0.00 174.94 173.56 3hsi s LEU 373 N 1.87 4.12 -0.23 2.97 2.96 -0.15 -0.45 118.68 129.77 3hsi s LEU 373 Ca 0.01 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3hsi s LEU 373 Cb -0.17 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3hsi s LEU 373 CO -0.11 -0.07 0.15 -0.76 -1.32 0.00 0.00 176.35 174.24 3hsi s LEU 374 N 1.40 4.09 -0.08 -0.68 1.43 0.06 -3.43 118.68 121.47 3hsi s LEU 374 Ca 0.16 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 3hsi s LEU 374 Cb -0.15 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3hsi s LEU 374 CO 0.08 0.08 0.72 0.28 0.23 0.00 0.00 176.35 177.73 3hsi s THR 375 N 0.99 0.00 -2.03 5.49 -1.32 -1.26 -0.22 115.64 117.29 3hsi s THR 375 Ca 0.07 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.66 3hsi s THR 375 Cb -0.13 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.14 3hsi s THR 375 CO 0.04 0.00 1.26 0.61 -2.21 0.00 0.00 174.62 174.32 3hsi n GLY 376 N 1.04 0.27 3.67 6.08 0.00 -1.24 -4.71 105.19 110.30 3hsi n GLY 376 Ca -0.18 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3hsi n GLY 376 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsi s ASN 377 N -1.09 6.80 0.00 1.61 3.84 -1.26 -4.89 114.94 119.96 3hsi s ASN 377 Ca 0.21 2.04 0.22 0.00 0.21 0.00 0.00 52.86 55.54 3hsi s ASN 377 Cb 0.11 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.44 3hsi s ASN 377 CO 0.15 -0.82 1.73 0.59 -2.79 0.00 0.00 177.10 175.96 3hsi n ASN 378 N 6.45 0.00 -3.54 -4.21 3.02 -1.26 -4.79 115.26 110.93 3hsi n ASN 378 Ca 0.15 -0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.33 3hsi n ASN 378 Cb 0.44 -0.23 0.08 0.00 -0.61 0.00 0.00 39.78 39.46 3hsi n ASN 378 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hsi n LEU 379 N -1.23 -3.66 -4.35 3.41 4.77 -1.26 -4.68 117.00 110.00 3hsi n LEU 379 Ca 0.12 -0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 3hsi n LEU 379 Cb 0.16 -3.04 -0.10 0.00 -2.33 0.00 0.00 43.42 38.10 3hsi n LEU 379 CO 0.16 0.51 -0.26 0.54 -1.33 0.00 0.00 177.39 177.01 3hsi s ASN 380 N -3.86 1.53 0.32 -1.43 2.20 -1.26 -3.96 114.94 108.49 3hsi s ASN 380 Ca 0.28 -1.37 0.05 0.00 -0.94 0.00 0.00 52.86 50.89 3hsi s ASN 380 Cb -0.13 0.09 0.70 0.00 -2.00 0.00 0.00 41.25 39.91 3hsi s ASN 380 CO 0.74 -0.68 1.85 -0.65 -2.94 0.00 0.00 177.10 175.42 3hsi h PRO 381 N 2.33 0.80 -0.42 3.55 0.11 -1.76 -2.21 132.00 134.39 3hsi h PRO 381 Ca -0.39 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.76 3hsi h PRO 381 Cb 1.24 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 3hsi h PRO 381 CO 0.63 0.53 -0.15 0.00 -0.21 0.00 0.00 178.00 178.80 3hsi h ARG 382 N 0.83 -0.06 -0.36 1.05 3.08 -1.91 -1.14 114.38 115.86 3hsi h ARG 382 Ca 0.48 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 3hsi h ARG 382 Cb 0.63 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hsi h ARG 382 CO -0.24 -0.04 0.14 0.00 -1.07 0.00 0.00 179.97 178.76 3hsi h ALA 383 N 1.30 1.57 0.00 0.04 0.00 -1.74 0.21 119.26 120.65 3hsi h ALA 383 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hsi h ALA 383 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hsi h ALA 383 CO -0.47 0.33 0.00 0.91 0.00 0.00 0.00 179.25 180.02 3hsi n TRP 384 N -4.39 0.00 0.00 0.00 8.01 -0.47 -4.46 117.44 116.12 3hsi n TRP 384 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 3hsi n TRP 384 Cb 0.14 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.09 3hsi n TRP 384 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 3hsi n ARG 385 N -1.35 0.17 0.00 -0.99 0.63 -0.71 -3.98 116.66 110.43 3hsi n ARG 385 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3hsi n ARG 385 Cb 0.21 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.59 3hsi n ARG 385 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3hsi n LEU 386 N -1.05 2.73 -4.92 6.15 4.77 0.67 -3.99 117.00 121.37 3hsi n LEU 386 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3hsi n LEU 386 Cb 0.04 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3hsi n LEU 386 CO 0.00 0.45 -0.01 -1.81 -1.33 0.00 0.00 177.39 174.69 3hsi s ASP 387 N -3.91 6.40 -0.14 -1.43 1.01 -1.06 -4.16 116.67 113.39 3hsi s ASP 387 Ca 0.00 0.40 -0.21 0.00 0.71 0.00 0.00 52.55 53.44 3hsi s ASP 387 Cb 0.00 -2.01 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3hsi s ASP 387 CO 0.00 0.02 0.62 0.00 0.21 0.00 0.00 175.17 176.02 3hsi s ALA 388 N -1.75 3.46 0.11 5.23 0.00 -0.92 -4.32 121.76 123.56 3hsi s ALA 388 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3hsi s ALA 388 Cb -0.12 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3hsi s ALA 388 CO 0.28 -0.30 -0.09 -1.21 0.00 0.00 0.00 175.76 174.44 3hsi s GLU 389 N 1.30 0.88 0.27 0.00 0.41 0.80 -0.87 118.70 121.49 3hsi s GLU 389 Ca 0.31 -1.27 0.02 0.00 -0.41 0.00 0.00 54.97 53.63 3hsi s GLU 389 Cb -0.16 -0.42 -0.03 0.00 -1.78 0.00 0.00 34.13 31.73 3hsi s GLU 389 CO 0.13 0.04 0.23 0.54 -0.49 0.00 0.00 175.26 175.71 3hsi s ASN 390 N -2.78 0.91 -0.01 -0.19 6.03 -1.26 -0.40 114.94 117.23 3hsi s ASN 390 Ca 0.10 -1.56 -0.28 0.00 -1.03 0.00 0.00 52.86 50.08 3hsi s ASN 390 Cb 0.01 0.49 0.10 0.00 -3.03 0.00 0.00 41.25 38.82 3hsi s ASN 390 CO -0.02 -0.98 0.86 -0.83 -2.03 0.00 0.00 177.10 174.10 3hsi s GLY 391 N -3.26 -0.46 -0.22 0.45 0.00 -0.34 -3.66 107.32 99.83 3hsi s GLY 391 Ca 0.39 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 3hsi s GLY 391 CO 0.20 0.45 -0.08 1.08 0.00 0.00 0.00 173.10 174.76 3hsi s LEU 392 N -2.24 2.85 -0.38 0.66 1.43 0.69 -0.09 118.68 121.60 3hsi s LEU 392 Ca 0.03 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 3hsi s LEU 392 Cb -0.01 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3hsi s LEU 392 CO -0.07 -0.05 0.39 -0.22 0.23 0.00 0.00 176.35 176.63 3hsi s LEU 393 N 1.40 4.66 -0.22 1.79 2.96 -0.19 -0.76 118.68 128.32 3hsi s LEU 393 Ca 0.04 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 3hsi s LEU 393 Cb -0.15 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3hsi s LEU 393 CO -0.05 -0.45 0.54 -0.63 -1.32 0.00 0.00 176.35 174.43 3hsi s ILE 394 N 2.06 5.08 -0.23 6.68 1.01 0.41 -0.87 121.20 135.34 3hsi s ILE 394 Ca 0.12 0.98 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 3hsi s ILE 394 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3hsi s ILE 394 CO 0.12 0.14 0.09 -0.47 0.00 0.00 0.00 174.94 174.83 3hsi s TYR 395 N 1.87 3.17 -0.58 3.97 5.04 -0.20 -0.78 117.35 129.83 3hsi s TYR 395 Ca 0.24 -0.12 0.06 0.00 -2.44 0.00 0.00 57.07 54.81 3hsi s TYR 395 Cb -0.15 -2.21 0.23 0.00 0.35 0.00 0.00 41.96 40.18 3hsi s TYR 395 CO 0.09 -0.12 0.63 -3.47 -1.34 0.00 0.00 175.55 171.34 3hsi n ASP 396 N 4.42 2.59 0.28 4.32 2.03 0.75 -0.77 116.55 130.18 3hsi n ASP 396 Ca -0.16 -3.17 0.12 0.00 0.52 0.00 0.00 54.79 52.10 3hsi n ASP 396 Cb 0.52 -0.67 0.81 0.00 -0.72 0.00 0.00 41.12 41.06 3hsi n ASP 396 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hsi h PRO 397 N 4.46 0.00 -0.36 -0.67 0.13 -1.84 -2.49 132.00 131.22 3hsi h PRO 397 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hsi h PRO 397 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hsi h PRO 397 CO 0.71 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 3hsi n GLN 398 N -4.06 2.98 -2.36 0.86 6.02 -1.26 -4.97 117.38 114.59 3hsi n GLN 398 Ca -0.03 -2.39 -0.16 0.00 -0.01 0.00 0.00 57.00 54.41 3hsi n GLN 398 Cb 0.10 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 29.84 3hsi n GLN 398 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hsi n GLN 399 N 0.31 -1.54 0.12 -1.09 3.00 -0.94 -4.87 117.38 112.37 3hsi n GLN 399 Ca 0.16 0.75 0.05 0.00 -0.01 0.00 0.00 57.00 57.96 3hsi n GLN 399 Cb 0.62 -5.13 0.51 0.00 0.00 0.00 0.00 30.24 26.23 3hsi n GLN 399 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3hsi h GLN 400 N -0.12 0.29 -0.35 -1.09 4.20 -1.93 -2.76 115.11 113.35 3hsi h GLN 400 Ca -0.38 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3hsi h GLN 400 Cb 1.28 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3hsi h GLN 400 CO 0.44 0.22 0.00 -0.11 -0.67 0.00 0.00 178.83 178.71 3hsi n LEU 401 N -4.48 3.03 -0.25 1.46 7.94 -1.26 -4.69 117.00 118.75 3hsi n LEU 401 Ca 0.00 -1.66 -0.05 0.00 -1.11 0.00 0.00 56.01 53.19 3hsi n LEU 401 Cb 0.09 -0.23 0.05 0.00 0.53 0.00 0.00 43.42 43.87 3hsi n LEU 401 CO 0.35 0.70 1.14 0.25 -1.11 0.00 0.00 177.39 178.72 3hsi h LEU 402 N 3.07 0.81 -0.52 -1.96 5.85 -1.87 -0.69 115.31 120.00 3hsi h LEU 402 Ca 0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3hsi h LEU 402 Cb 0.79 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3hsi h LEU 402 CO 0.00 0.62 0.33 0.00 -0.34 0.00 0.00 178.44 179.06 3hsi h ALA 403 N 1.23 0.67 -0.39 1.25 0.00 -1.84 0.97 119.26 121.15 3hsi h ALA 403 Ca 0.25 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hsi h ALA 403 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hsi h ALA 403 CO -0.05 0.07 -0.11 1.96 0.00 0.00 0.00 179.25 181.12 3hsi h GLN 404 N 0.67 0.68 -0.29 0.00 4.20 -1.79 -2.03 115.11 116.55 3hsi h GLN 404 Ca 0.20 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3hsi h GLN 404 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hsi h GLN 404 CO -0.07 0.77 -0.03 0.28 -0.67 0.00 0.00 178.83 179.12 3hsi h VAL 405 N 0.62 1.27 -0.82 -0.54 2.07 -0.35 -2.62 116.25 115.88 3hsi h VAL 405 Ca 0.11 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3hsi h VAL 405 Cb 0.55 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3hsi h VAL 405 CO 0.03 0.32 0.52 -0.33 0.02 0.00 0.00 177.57 178.14 3hsi h GLU 406 N 0.32 0.97 -0.12 1.57 5.08 -0.64 -1.73 114.58 120.03 3hsi h GLU 406 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hsi h GLU 406 Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hsi h GLU 406 CO 0.02 0.64 0.07 -0.22 -1.00 0.00 0.00 179.01 178.53 3hsi h LYS 407 N 1.00 0.17 -0.25 2.33 3.64 -1.21 -0.41 116.57 121.84 3hsi h LYS 407 Ca 0.34 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 3hsi h LYS 407 Cb 0.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3hsi h LYS 407 CO -0.13 0.17 0.08 1.49 -2.27 0.00 0.00 179.45 178.80 3hsi h GLU 408 N 0.12 0.18 -0.73 1.90 4.81 -1.15 -1.53 114.58 118.18 3hsi h GLU 408 Ca 0.04 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3hsi h GLU 408 Cb 0.05 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 3hsi h GLU 408 CO -0.01 0.12 0.45 1.96 -0.73 0.00 0.00 179.01 180.80 3hsi h GLN 409 N 0.19 0.84 -0.25 1.92 4.20 -1.03 0.38 115.11 121.36 3hsi h GLN 409 Ca 0.11 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 3hsi h GLN 409 Cb 0.09 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 3hsi h GLN 409 CO -0.12 0.55 -0.54 -0.91 -0.67 0.00 0.00 178.83 177.15 3hsi h ASN 410 N 0.86 0.83 -0.18 1.46 2.35 -0.87 0.15 115.58 120.17 3hsi h ASN 410 Ca 0.30 -0.44 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3hsi h ASN 410 Cb 0.07 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 3hsi h ASN 410 CO -0.13 1.20 -0.06 -0.61 -1.65 0.00 0.00 177.43 176.18 3hsi h GLN 411 N 0.58 -0.02 -0.94 0.81 5.75 -0.94 -2.07 115.11 118.28 3hsi h GLN 411 Ca 0.02 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.67 3hsi h GLN 411 Cb 1.11 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.57 3hsi h GLN 411 CO 0.11 -0.01 0.54 0.82 -2.65 0.00 0.00 178.83 177.64 3hsi h ILE 412 N -0.02 0.77 0.00 2.39 2.04 0.32 -1.33 117.51 121.68 3hsi h ILE 412 Ca 0.09 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3hsi h ILE 412 Cb 0.16 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3hsi h ILE 412 CO -0.20 0.14 0.00 0.03 0.00 0.00 0.00 178.15 178.12 3hsi h ARG 413 N 0.77 0.00 -0.79 2.37 3.08 -0.25 -3.36 114.38 116.19 3hsi h ARG 413 Ca 0.51 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.70 3hsi h ARG 413 Cb 0.68 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.59 3hsi h ARG 413 CO -0.34 0.00 -0.29 1.96 -1.07 0.00 0.00 179.97 180.23 3hsi h GLN 414 N 0.00 -0.05 -1.01 0.04 1.08 -0.56 -1.76 115.11 112.85 3hsi h GLN 414 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3hsi h GLN 414 Cb 0.62 0.01 -0.29 0.00 -0.05 0.00 0.00 27.48 27.76 3hsi h GLN 414 CO 0.00 -0.03 0.72 0.72 -0.95 0.00 0.00 178.83 179.29 3hsi n HIS 415 N -5.49 3.04 -4.36 2.96 8.25 -1.26 -4.94 115.22 113.42 3hsi n HIS 415 Ca 0.09 -2.25 -0.25 0.00 -0.26 0.00 0.00 57.72 55.05 3hsi n HIS 415 Cb 0.40 -1.12 -0.09 0.00 1.12 0.00 0.00 29.99 30.29 3hsi n HIS 415 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hsi s THR 416 N -3.76 2.93 -0.03 1.59 -4.23 -0.66 -1.07 115.64 110.41 3hsi s THR 416 Ca 0.58 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 3hsi s THR 416 Cb 0.48 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 3hsi s THR 416 CO 0.06 -0.24 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.23 3hsi s LYS 417 N -3.15 1.39 -0.06 3.99 1.02 0.06 -4.93 119.74 118.06 3hsi s LYS 417 Ca 0.27 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 3hsi s LYS 417 Cb -0.07 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 3hsi s LYS 417 CO 0.15 0.19 1.09 0.08 -0.92 0.00 0.00 175.35 175.95 3hsi s VAL 418 N 0.09 4.53 0.00 3.17 1.01 -1.26 -1.73 120.40 126.22 3hsi s VAL 418 Ca -0.03 1.82 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3hsi s VAL 418 Cb -0.10 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 3hsi s VAL 418 CO 0.01 0.03 1.40 -0.76 0.00 0.00 0.00 175.10 175.78 3hsi s LEU 419 N 1.90 4.32 0.00 3.92 1.43 -0.04 -4.90 118.68 125.31 3hsi s LEU 419 Ca 0.52 2.11 0.22 0.00 -1.03 0.00 0.00 54.13 55.96 3hsi s LEU 419 Cb -0.22 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3hsi s LEU 419 CO 0.21 -0.71 1.03 2.29 0.23 0.00 0.00 176.35 179.41 3hsi n LYS 420 N 5.30 0.08 -3.60 1.70 -0.00 -1.26 -4.69 118.16 115.69 3hsi n LYS 420 Ca 0.13 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 3hsi n LYS 420 Cb 0.44 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.91 3hsi n LYS 420 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3hsi s HIS 421 N -2.96 -0.37 0.42 5.58 5.65 -1.26 -4.77 115.29 117.58 3hsi s HIS 421 Ca 0.10 0.74 0.13 0.00 0.25 0.00 0.00 55.06 56.28 3hsi s HIS 421 Cb 0.16 0.43 0.92 0.00 -1.18 0.00 0.00 32.58 32.91 3hsi s HIS 421 CO 0.81 -0.27 1.95 0.10 -0.65 0.00 0.00 174.74 176.68 3hsi h TYR 422 N 3.10 0.05 0.00 3.88 -0.00 -1.92 -1.07 116.97 121.00 3hsi h TYR 422 Ca -0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.51 3hsi h TYR 422 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.88 3hsi h TYR 422 CO 0.29 0.25 0.00 0.25 -0.00 0.00 0.00 178.16 178.95 3hsi n THR 423 N -4.28 0.49 0.70 -0.90 -2.24 -1.26 -1.50 114.28 105.29 3hsi n THR 423 Ca -0.02 0.12 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3hsi n THR 423 Cb 0.27 -0.94 0.47 0.00 -2.10 0.00 0.00 70.33 68.03 3hsi n THR 423 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hsi n GLU 424 N -1.19 0.07 -3.83 -0.78 1.02 -0.41 -4.67 120.64 110.85 3hsi n GLU 424 Ca 0.06 0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 57.01 3hsi n GLU 424 Cb 0.07 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 3hsi n GLU 424 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hsi s LEU 425 N -3.46 4.39 0.39 -4.62 1.43 -0.56 -5.08 118.68 111.17 3hsi s LEU 425 Ca 0.10 0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 53.46 3hsi s LEU 425 Cb 0.14 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.13 3hsi s LEU 425 CO 0.44 0.39 1.22 -1.61 0.23 0.00 0.00 176.35 177.02 3hsi s GLU 426 N -0.96 4.10 0.78 1.70 2.02 -1.26 -5.02 118.70 120.05 3hsi s GLU 426 Ca 0.16 1.97 -0.11 0.00 0.02 0.00 0.00 54.97 57.01 3hsi s GLU 426 Cb -0.13 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.38 3hsi s GLU 426 CO 0.05 -0.32 1.10 -1.83 0.02 0.00 0.00 175.26 174.27 3hsi s GLU 427 N -2.16 2.26 0.25 1.61 4.04 -1.26 -4.91 118.70 118.53 3hsi s GLU 427 Ca 0.55 0.60 -0.03 0.00 0.04 0.00 0.00 54.97 56.14 3hsi s GLU 427 Cb -0.34 -1.94 0.49 0.00 0.02 0.00 0.00 34.13 32.36 3hsi s GLU 427 CO 0.43 -1.49 1.75 1.25 -1.84 0.00 0.00 175.26 175.37 3hsi h LEU 428 N -0.99 0.41 -1.95 1.83 5.85 -1.98 0.14 115.31 118.63 3hsi h LEU 428 Ca -0.46 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.53 3hsi h LEU 428 Cb 1.26 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3hsi h LEU 428 CO 0.60 0.17 0.54 0.78 -0.34 0.00 0.00 178.44 180.19 3hsi h ASN 429 N 0.54 0.00 0.81 1.25 -0.26 -2.00 -0.51 115.58 115.41 3hsi h ASN 429 Ca 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.18 3hsi h ASN 429 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3hsi h ASN 429 CO -0.38 0.00 -0.53 0.00 -1.06 0.00 0.00 177.43 175.46 3hsi n GLN 430 N -3.94 0.20 -1.53 0.81 10.64 0.50 -4.94 117.38 119.13 3hsi n GLN 430 Ca 0.12 0.07 -0.33 0.00 -1.83 0.00 0.00 57.00 55.03 3hsi n GLN 430 Cb 0.78 -1.63 0.07 0.00 -0.86 0.00 0.00 30.24 28.60 3hsi n GLN 430 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hsi s TYR 431 N -3.11 2.42 0.54 2.61 2.02 -0.20 -4.97 117.35 116.66 3hsi s TYR 431 Ca 0.08 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.16 3hsi s TYR 431 Cb 0.15 -3.22 -0.07 0.00 -0.40 0.00 0.00 41.96 38.41 3hsi s TYR 431 CO 0.70 -1.98 0.89 -2.30 -1.57 0.00 0.00 175.55 171.29 3hsi n PRO 432 N -2.80 0.96 -0.09 -1.71 -0.02 -1.26 -4.72 135.00 125.35 3hsi n PRO 432 Ca 0.11 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3hsi n PRO 432 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3hsi n PRO 432 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hsi h GLU 433 N 0.76 -0.02 0.00 -0.52 9.09 -1.96 -1.21 114.58 120.72 3hsi h GLU 433 Ca -0.47 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.90 3hsi h GLU 433 Cb 1.36 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 3hsi h GLU 433 CO 0.52 -0.01 -0.19 -1.00 0.05 0.00 0.00 179.01 178.37 3hsi h PRO 434 N -0.02 0.00 -0.31 1.06 0.13 -2.00 -1.34 132.00 129.52 3hsi h PRO 434 Ca 0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 3hsi h PRO 434 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3hsi h PRO 434 CO -0.36 0.19 -0.09 0.28 -0.23 0.00 0.00 178.00 177.79 3hsi h VAL 435 N 0.00 1.28 -0.40 1.56 2.07 -1.70 -2.52 116.25 116.54 3hsi h VAL 435 Ca -0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3hsi h VAL 435 Cb 0.35 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3hsi h VAL 435 CO 0.03 0.37 0.25 1.56 0.02 0.00 0.00 177.57 179.80 3hsi h GLN 436 N 0.38 0.54 -0.35 1.57 4.20 -0.74 -1.70 115.11 119.00 3hsi h GLN 436 Ca 0.08 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.81 3hsi h GLN 436 Cb 0.59 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 3hsi h GLN 436 CO 0.03 0.38 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.34 3hsi h LYS 437 N 0.54 0.08 0.24 1.46 3.64 -1.20 -1.86 116.57 119.47 3hsi h LYS 437 Ca 0.15 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3hsi h LYS 437 Cb -0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3hsi h LYS 437 CO -0.03 0.05 -0.11 1.25 -2.27 0.00 0.00 179.45 178.34 3hsi h LEU 438 N 0.08 -0.27 -1.54 5.20 5.85 -1.02 -2.39 115.31 121.22 3hsi h LEU 438 Ca 0.17 -0.22 0.21 0.00 0.84 0.00 0.00 57.88 58.89 3hsi h LEU 438 Cb 0.24 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 3hsi h LEU 438 CO -0.30 0.10 0.61 -0.07 -0.34 0.00 0.00 178.44 178.43 3hsi h LEU 439 N -0.67 0.38 0.01 2.25 3.38 -1.21 -0.01 115.31 119.43 3hsi h LEU 439 Ca -0.03 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3hsi h LEU 439 Cb 0.47 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.22 3hsi h LEU 439 CO 0.05 0.14 -1.06 0.11 0.09 0.00 0.00 178.44 177.78 3hsi h LYS 440 N 0.37 0.70 -0.12 1.13 1.57 -1.19 0.13 116.57 119.17 3hsi h LYS 440 Ca 0.47 -0.77 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3hsi h LYS 440 Cb 1.24 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 3hsi h LYS 440 CO -0.17 1.34 0.05 0.87 -0.57 0.00 0.00 179.45 180.96 3hsi h LYS 441 N 0.39 0.17 -0.00 3.15 1.57 -0.92 -2.56 116.57 118.37 3hsi h LYS 441 Ca -0.13 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3hsi h LYS 441 Cb 1.72 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 3hsi h LYS 441 CO 0.21 0.27 -0.07 0.74 -0.57 0.00 0.00 179.45 180.03 3hsi h PHE 442 N 0.04 -0.19 -0.20 -1.35 -1.00 -0.99 -2.55 116.94 110.70 3hsi h PHE 442 Ca 0.04 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3hsi h PHE 442 Cb 0.16 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3hsi h PHE 442 CO -0.02 -0.12 0.13 0.00 -1.61 0.00 0.00 178.31 176.70 3hsi h ALA 443 N 0.86 1.92 -0.17 2.45 0.00 -0.79 -0.14 119.26 123.40 3hsi h ALA 443 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hsi h ALA 443 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hsi h ALA 443 CO -0.08 0.06 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 3hsi h ARG 444 N 0.22 0.27 -0.14 0.00 3.08 -1.03 -2.94 114.38 113.84 3hsi h ARG 444 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hsi h ARG 444 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hsi h ARG 444 CO -0.02 0.39 0.00 0.44 -1.07 0.00 0.00 179.97 179.72 3hsi n ILE 445 N -4.28 2.06 -1.30 2.04 -5.35 -0.81 -4.96 119.36 106.75 3hsi n ILE 445 Ca -0.00 -2.01 -0.12 0.00 -0.27 0.00 0.00 62.75 60.34 3hsi n ILE 445 Cb 0.26 -0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 37.90 3hsi n ILE 445 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3hsi n LYS 446 N -0.90 -1.58 0.30 6.28 -0.00 -0.67 -4.82 118.16 116.78 3hsi n LYS 446 Ca 0.18 0.85 0.17 0.00 -0.00 0.00 0.00 58.31 59.51 3hsi n LYS 446 Cb 0.76 -5.12 0.95 0.00 -0.00 0.00 0.00 35.03 31.62 3hsi n LYS 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hsi h ALA 447 N 0.23 1.30 -0.16 0.58 0.00 -1.34 -0.32 119.26 119.54 3hsi h ALA 447 Ca -0.25 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3hsi h ALA 447 Cb 1.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hsi h ALA 447 CO 0.36 0.03 -0.60 0.38 0.00 0.00 0.00 179.25 179.42 3hsi h ASP 448 N 0.00 0.62 -0.48 0.00 2.03 -1.88 -0.34 116.42 116.37 3hsi h ASP 448 Ca -0.00 -0.35 0.02 0.00 -0.73 0.00 0.00 57.03 55.97 3hsi h ASP 448 Cb 0.10 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 38.39 3hsi h ASP 448 CO 0.00 1.08 0.28 0.50 -1.03 0.00 0.00 179.24 180.07 3hsi h LYS 449 N 0.41 0.53 -0.07 4.15 3.64 -1.41 -1.97 116.57 121.85 3hsi h LYS 449 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hsi h LYS 449 Cb 1.16 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3hsi h LYS 449 CO 0.11 0.35 0.05 1.25 -2.27 0.00 0.00 179.45 178.94 3hsi h LEU 450 N 0.55 0.08 -1.04 5.20 5.85 -1.14 -2.62 115.31 122.20 3hsi h LEU 450 Ca 0.19 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.04 3hsi h LEU 450 Cb 0.03 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 3hsi h LEU 450 CO -0.10 0.08 0.62 0.58 -0.34 0.00 0.00 178.44 179.28 3hsi h VAL 451 N 0.08 0.82 0.00 1.05 2.07 -0.86 -2.29 116.25 117.12 3hsi h VAL 451 Ca 0.03 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hsi h VAL 451 Cb 0.01 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 3hsi h VAL 451 CO -0.01 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.03 3hsi n LYS 452 N -4.67 0.45 0.00 1.57 5.02 -0.76 -1.24 118.16 118.53 3hsi n LYS 452 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3hsi n LYS 452 Cb 0.46 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3hsi n LYS 452 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3hsi n ILE 454 N 0.64 0.00 1.29 -0.18 -5.35 -0.86 -4.36 119.36 110.53 3hsi n ILE 454 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 3hsi n ILE 454 Cb 0.19 0.00 0.35 0.00 -1.74 0.00 0.00 39.64 38.44 3hsi n ILE 454 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97