#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ius n GLY 3 N 0.00 4.12 2.96 1.09 0.00 -1.26 -5.06 105.19 107.03 3ius n GLY 3 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3ius n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ius s THR 4 N 0.10 1.38 -0.17 2.61 2.01 -1.26 -2.44 115.64 117.88 3ius s THR 4 Ca 0.00 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3ius s THR 4 Cb 0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3ius s THR 4 CO 0.00 0.26 0.00 -0.22 -0.69 0.00 0.00 174.62 173.97 3ius s LEU 5 N 1.53 3.46 -0.25 4.42 2.96 0.15 -0.93 118.68 130.03 3ius s LEU 5 Ca 0.02 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3ius s LEU 5 Cb -0.15 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ius s LEU 5 CO -0.09 0.16 0.04 -0.22 -1.32 0.00 0.00 176.35 174.93 3ius s LEU 6 N 0.40 3.38 -0.35 -0.68 2.96 -0.50 -1.15 118.68 122.74 3ius s LEU 6 Ca -0.01 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3ius s LEU 6 Cb -0.14 -1.86 0.07 0.00 0.50 0.00 0.00 46.19 44.77 3ius s LEU 6 CO 0.02 -0.07 0.09 -0.55 -1.32 0.00 0.00 176.35 174.53 3ius s SER 7 N 1.55 5.08 -0.06 3.68 0.15 0.91 -1.34 113.70 123.68 3ius s SER 7 Ca 0.05 -1.59 -0.28 0.00 0.70 0.00 0.00 55.95 54.84 3ius s SER 7 Cb -0.15 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 3ius s SER 7 CO 0.01 -0.38 0.91 -0.36 1.20 0.00 0.00 173.24 174.62 3ius s PHE 8 N 1.21 3.58 -0.84 3.44 0.08 -0.04 -1.24 117.98 124.18 3ius s PHE 8 Ca 0.01 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 58.56 3ius s PHE 8 Cb -0.21 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 3ius s PHE 8 CO -0.02 -0.06 0.71 0.41 -0.10 0.00 0.00 175.22 176.16 3ius n GLY 9 N 3.05 -0.06 3.55 4.36 0.00 -1.07 -1.61 105.19 113.41 3ius n GLY 9 Ca 0.05 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3ius n GLY 9 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ius n HIS 10 N -3.57 0.98 -1.43 1.61 -0.00 -0.38 -4.58 115.22 107.85 3ius n HIS 10 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 3ius n HIS 10 Cb 0.58 -2.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.19 3ius n HIS 10 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ius n GLY 11 N 6.52 3.80 0.44 1.57 0.00 -1.26 -4.80 105.19 111.46 3ius n GLY 11 Ca 0.50 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3ius n GLY 11 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ius h TYR 12 N 0.00 -1.40 0.06 1.61 3.20 -2.00 0.17 116.97 118.61 3ius h TYR 12 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ius h TYR 12 Cb 0.00 0.63 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3ius h TYR 12 CO 0.00 -0.52 -0.03 1.15 -1.64 0.00 0.00 178.16 177.12 3ius h THR 13 N -0.56 1.10 -0.37 1.81 2.02 -1.96 -3.15 112.91 111.80 3ius h THR 13 Ca 0.05 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3ius h THR 13 Cb 0.67 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3ius h THR 13 CO -0.40 0.13 0.23 0.00 0.37 0.00 0.00 175.52 175.85 3ius h ALA 14 N 0.62 1.71 -0.57 6.16 0.00 -1.87 -2.55 119.26 122.76 3ius h ALA 14 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ius h ALA 14 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ius h ALA 14 CO 0.01 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.61 3ius h ARG 15 N 0.50 0.96 -0.81 0.00 3.08 -0.93 0.10 114.38 117.28 3ius h ARG 15 Ca 0.13 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3ius h ARG 15 Cb -0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3ius h ARG 15 CO -0.03 0.92 0.37 0.28 -1.07 0.00 0.00 179.97 180.44 3ius h VAL 16 N 0.85 1.25 -0.19 2.04 2.07 -1.43 -1.20 116.25 119.65 3ius h VAL 16 Ca 0.17 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ius h VAL 16 Cb 0.43 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3ius h VAL 16 CO 0.01 0.31 0.08 0.25 0.02 0.00 0.00 177.57 178.24 3ius h LEU 17 N 1.15 0.25 -1.27 2.57 5.85 -1.09 -3.01 115.31 119.78 3ius h LEU 17 Ca 0.28 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3ius h LEU 17 Cb 0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ius h LEU 17 CO -0.03 0.34 -0.33 0.77 -0.34 0.00 0.00 178.44 178.85 3ius h SER 18 N 0.15 0.00 0.17 1.25 4.64 -0.55 -1.63 113.55 117.58 3ius h SER 18 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3ius h SER 18 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3ius h SER 18 CO -0.01 0.33 -0.07 0.03 -0.87 0.00 0.00 176.83 176.24 3ius h ARG 19 N 0.00 0.00 0.11 4.77 3.08 -1.09 0.40 114.38 121.65 3ius h ARG 19 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 3ius h ARG 19 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3ius h ARG 19 CO 0.04 0.07 -1.80 0.00 -1.07 0.00 0.00 179.97 177.21 3ius h ALA 20 N 1.93 0.36 -0.02 0.04 0.00 -1.29 -3.40 119.26 116.87 3ius h ALA 20 Ca -0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 54.91 53.42 3ius h ALA 20 Cb 0.17 0.68 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ius h ALA 20 CO 0.01 1.14 -0.65 -0.07 0.00 0.00 0.00 179.25 179.68 3ius h LEU 21 N -0.15 0.62 -0.47 0.00 3.38 -1.09 -3.33 115.31 114.27 3ius h LEU 21 Ca -0.40 -0.73 0.09 0.00 0.09 0.00 0.00 57.88 56.93 3ius h LEU 21 Cb 1.89 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.38 3ius h LEU 21 CO 0.04 1.26 0.03 0.00 0.09 0.00 0.00 178.44 179.86 3ius h ALA 22 N 0.37 0.47 0.00 1.53 0.00 -1.15 0.19 119.26 120.67 3ius h ALA 22 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ius h ALA 22 Cb 1.34 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3ius h ALA 22 CO 0.13 -0.37 0.00 -1.35 0.00 0.00 0.00 179.25 177.66 3ius h PRO 23 N 0.15 0.00 -0.01 0.00 0.11 -1.78 -1.56 132.00 128.91 3ius h PRO 23 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3ius h PRO 23 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3ius h PRO 23 CO -0.37 0.00 -0.17 1.04 -0.21 0.00 0.00 178.00 178.29 3ius n GLN 24 N -2.58 0.98 0.00 1.05 6.02 0.66 -4.92 117.38 118.59 3ius n GLN 24 Ca -0.01 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3ius n GLN 24 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3ius n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ius n GLY 25 N 1.29 0.96 3.77 1.08 0.00 -0.59 -5.01 105.19 106.69 3ius n GLY 25 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3ius n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ius s TRP 26 N -2.00 2.77 -0.12 1.61 0.52 -1.15 -4.88 118.94 115.69 3ius s TRP 26 Ca 0.00 1.28 -0.18 0.00 0.02 0.00 0.00 56.10 57.22 3ius s TRP 26 Cb 0.00 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.41 3ius s TRP 26 CO 0.00 -2.50 0.49 0.50 0.02 0.00 0.00 176.95 175.45 3ius s ARG 27 N -2.01 4.35 -0.01 4.98 3.52 -1.02 -4.54 118.95 124.22 3ius s ARG 27 Ca 0.52 0.47 0.04 0.00 -0.13 0.00 0.00 55.73 56.63 3ius s ARG 27 Cb -0.43 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3ius s ARG 27 CO 0.58 0.15 -0.12 0.42 -0.81 0.00 0.00 175.30 175.52 3ius s ILE 28 N 0.63 0.97 -0.10 4.11 1.01 -1.26 -0.67 121.20 125.88 3ius s ILE 28 Ca 0.27 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3ius s ILE 28 Cb -0.15 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3ius s ILE 28 CO 0.11 0.28 -0.13 -0.63 0.00 0.00 0.00 174.94 174.57 3ius s ILE 29 N -0.23 1.30 -0.06 2.92 1.09 -0.30 -0.22 121.20 125.71 3ius s ILE 29 Ca 0.04 -0.52 0.05 0.00 -1.10 0.00 0.00 60.65 59.12 3ius s ILE 29 Cb -0.05 -1.22 -0.01 0.00 -1.06 0.00 0.00 42.46 40.12 3ius s ILE 29 CO -0.00 0.40 -0.23 -0.83 -0.10 0.00 0.00 174.94 174.18 3ius s GLY 30 N 1.10 1.21 0.16 6.18 0.00 -0.42 -0.06 107.32 115.49 3ius s GLY 30 Ca -0.05 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3ius s GLY 30 CO -0.02 -0.54 0.07 -0.51 0.00 0.00 0.00 173.10 172.09 3ius s THR 31 N -0.06 4.14 -0.06 0.90 -4.23 -0.37 -1.01 115.64 114.95 3ius s THR 31 Ca -0.05 -1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 3ius s THR 31 Cb -0.14 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3ius s THR 31 CO 0.04 -0.08 0.41 -0.55 -0.54 0.00 0.00 174.62 173.90 3ius s SER 32 N -2.93 -0.34 0.01 3.99 0.15 -0.79 -1.25 113.70 112.54 3ius s SER 32 Ca 0.29 0.39 0.28 0.00 0.70 0.00 0.00 55.95 57.62 3ius s SER 32 Cb -0.10 0.49 1.10 0.00 -1.71 0.00 0.00 66.02 65.81 3ius s SER 32 CO 0.21 -0.40 1.84 -2.11 1.20 0.00 0.00 173.24 173.98 3ius n ARG 33 N 1.59 0.02 -3.53 5.44 1.85 -1.15 -1.66 116.66 119.22 3ius n ARG 33 Ca -0.19 0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.25 3ius n ARG 33 Cb 0.56 -1.52 -0.11 0.00 -1.05 0.00 0.00 32.46 30.35 3ius n ARG 33 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3ius s ASN 34 N -3.09 5.93 0.58 2.89 2.47 -1.26 -4.85 114.94 117.61 3ius s ASN 34 Ca 0.13 -0.91 0.28 0.00 0.42 0.00 0.00 52.86 52.78 3ius s ASN 34 Cb 0.18 -2.09 1.59 0.00 -1.45 0.00 0.00 41.25 39.48 3ius s ASN 34 CO 0.56 -0.41 2.07 -0.65 -3.72 0.00 0.00 177.10 174.96 3ius h PRO 35 N 8.53 0.00 0.00 0.43 0.11 -1.99 -0.19 132.00 138.89 3ius h PRO 35 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ius h PRO 35 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ius h PRO 35 CO 0.70 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.24 3ius n ASP 36 N -3.91 0.61 -3.90 -2.05 10.43 -1.26 -4.73 116.55 111.74 3ius n ASP 36 Ca 0.03 0.66 -0.43 0.00 2.57 0.00 0.00 54.79 57.62 3ius n ASP 36 Cb 0.37 -0.79 0.01 0.00 1.84 0.00 0.00 41.12 42.55 3ius n ASP 36 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ius n GLN 37 N -2.18 4.15 0.00 -1.24 1.13 -0.09 -4.71 117.38 114.44 3ius n GLN 37 Ca 0.02 -4.05 0.00 0.00 -1.94 0.00 0.00 57.00 51.03 3ius n GLN 37 Cb 0.21 -2.70 0.00 0.00 0.11 0.00 0.00 30.24 27.86 3ius n GLN 37 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3ius n GLU 39 N 2.41 0.00 0.09 -1.09 4.71 -1.26 -1.83 120.64 123.66 3ius n GLU 39 Ca 0.35 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.48 3ius n GLU 39 Cb 0.34 0.00 0.25 0.00 -1.01 0.00 0.00 31.44 31.02 3ius n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ius h ALA 40 N 0.00 1.18 -0.16 0.62 0.00 -1.99 0.36 119.26 119.27 3ius h ALA 40 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3ius h ALA 40 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ius h ALA 40 CO 0.00 0.55 -0.10 0.82 0.00 0.00 0.00 179.25 180.51 3ius h ILE 41 N 0.22 1.32 -0.97 0.00 2.04 -1.71 -2.56 117.51 115.85 3ius h ILE 41 Ca 0.03 -1.19 0.02 0.00 1.00 0.00 0.00 64.86 64.71 3ius h ILE 41 Cb 0.73 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 3ius h ILE 41 CO 0.06 0.35 0.64 -0.09 0.00 0.00 0.00 178.15 179.11 3ius h ARG 42 N 0.02 1.25 0.00 2.37 2.43 -1.46 -1.68 114.38 117.31 3ius h ARG 42 Ca 0.03 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3ius h ARG 42 Cb 0.60 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3ius h ARG 42 CO 0.03 0.83 -0.18 0.00 -1.51 0.00 0.00 179.97 179.14 3ius h ALA 43 N 1.41 1.02 0.00 2.80 0.00 -0.92 -2.25 119.26 121.32 3ius h ALA 43 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ius h ALA 43 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ius h ALA 43 CO -0.09 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3ius n SER 44 N -3.34 0.00 0.00 0.00 3.41 -0.65 -4.89 113.62 108.15 3ius n SER 44 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3ius n SER 44 Cb 0.40 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 3ius n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ius n GLY 45 N 1.11 0.64 3.89 5.00 0.00 -0.85 -2.93 105.19 112.06 3ius n GLY 45 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ius n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius s ALA 46 N -2.00 3.93 -0.17 4.61 0.00 -1.09 -4.60 121.76 122.44 3ius s ALA 46 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 3ius s ALA 46 Cb 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 3ius s ALA 46 CO 0.00 0.75 1.37 -1.21 0.00 0.00 0.00 175.76 176.67 3ius s GLU 47 N -1.99 4.13 0.40 0.00 2.02 0.70 -3.29 118.70 120.67 3ius s GLU 47 Ca 0.28 1.70 -0.24 0.00 0.02 0.00 0.00 54.97 56.72 3ius s GLU 47 Cb -0.13 -3.85 -0.09 0.00 0.10 0.00 0.00 34.13 30.17 3ius s GLU 47 CO 0.19 -0.85 1.05 -1.25 0.02 0.00 0.00 175.26 174.43 3ius s PRO 48 N 3.81 4.15 -0.02 0.39 0.04 -1.26 -1.29 135.00 140.82 3ius s PRO 48 Ca 0.60 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3ius s PRO 48 Cb -0.23 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.78 3ius s PRO 48 CO 0.20 -0.15 0.01 -1.17 0.04 0.00 0.00 177.00 175.92 3ius s LEU 49 N -2.65 1.40 -0.29 -3.56 2.96 -0.18 -4.89 118.68 111.47 3ius s LEU 49 Ca 0.58 0.00 -0.25 0.00 -0.22 0.00 0.00 54.13 54.24 3ius s LEU 49 Cb -0.22 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.36 3ius s LEU 49 CO 0.28 -0.07 0.87 -0.22 -1.32 0.00 0.00 176.35 175.88 3ius s LEU 50 N 0.71 4.06 -0.08 -0.68 2.96 -1.26 -1.89 118.68 122.50 3ius s LEU 50 Ca -0.06 0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3ius s LEU 50 Cb -0.09 -3.22 0.04 0.00 0.50 0.00 0.00 46.19 43.42 3ius s LEU 50 CO -0.02 -0.65 0.17 0.86 -1.32 0.00 0.00 176.35 175.39 3ius s TRP 51 N 3.09 -0.21 0.78 5.38 -0.00 -0.66 0.03 118.94 127.35 3ius s TRP 51 Ca 0.36 0.57 -0.13 0.00 -0.00 0.00 0.00 56.10 56.91 3ius s TRP 51 Cb -0.14 -0.08 0.07 0.00 -0.00 0.00 0.00 33.47 33.31 3ius s TRP 51 CO 0.12 -0.20 1.14 -2.14 -0.00 0.00 0.00 176.95 175.87 3ius s PRO 52 N 1.40 1.98 0.00 5.86 0.02 -1.26 -2.95 135.00 140.04 3ius s PRO 52 Ca -0.07 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3ius s PRO 52 Cb -0.11 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3ius s PRO 52 CO -0.07 -1.90 0.00 0.41 -0.33 0.00 0.00 177.00 175.11 3ius n GLY 53 N -0.21 2.31 3.85 0.52 0.00 -1.24 -4.92 105.19 105.50 3ius n GLY 53 Ca 0.11 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3ius n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ius s GLU 54 N 0.00 3.73 -0.01 1.61 2.02 0.10 -5.08 118.70 121.08 3ius s GLU 54 Ca 0.00 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 54.96 3ius s GLU 54 Cb 0.00 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 3ius s GLU 54 CO 0.00 0.72 0.67 -1.21 0.02 0.00 0.00 175.26 175.46 3ius s GLU 55 N -1.04 4.40 0.43 1.61 0.41 -1.26 -4.62 118.70 118.63 3ius s GLU 55 Ca 0.20 0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 55.37 3ius s GLU 55 Cb -0.15 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 28.74 3ius s GLU 55 CO 0.10 0.25 1.23 -2.14 -0.49 0.00 0.00 175.26 174.21 3ius s PRO 56 N 0.16 3.88 -0.93 0.39 0.02 -1.26 -4.96 135.00 132.29 3ius s PRO 56 Ca 0.35 1.97 -0.16 0.00 0.02 0.00 0.00 61.00 63.18 3ius s PRO 56 Cb -0.19 -2.61 0.17 0.00 0.02 0.00 0.00 34.50 31.89 3ius s PRO 56 CO 0.19 -0.51 1.04 -1.12 -0.33 0.00 0.00 177.00 176.27 3ius s SER 57 N -1.02 6.74 0.48 2.53 0.01 -1.26 -4.88 113.70 116.30 3ius s SER 57 Ca 0.60 -2.40 0.23 0.00 1.31 0.00 0.00 55.95 55.69 3ius s SER 57 Cb -0.34 -2.33 1.24 0.00 0.21 0.00 0.00 66.02 64.80 3ius s SER 57 CO 0.42 -0.85 2.00 -0.07 0.41 0.00 0.00 173.24 175.16 3ius h LEU 58 N 9.36 0.00 -9.42 2.44 3.38 -1.99 -3.42 115.31 115.66 3ius h LEU 58 Ca 0.16 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.53 3ius h LEU 58 Cb 1.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.80 3ius h LEU 58 CO 1.00 0.17 0.90 -0.67 0.09 0.00 0.00 178.44 179.93 3ius n ASP 59 N -3.75 3.18 0.00 -0.43 4.64 -1.26 -1.34 116.55 117.59 3ius n ASP 59 Ca -0.02 1.04 0.00 0.00 -1.38 0.00 0.00 54.79 54.44 3ius n ASP 59 Cb 0.28 -1.40 0.00 0.00 -1.04 0.00 0.00 41.12 38.96 3ius n ASP 59 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ius n GLY 60 N 3.74 2.18 3.74 0.27 0.00 -1.26 -5.03 105.19 108.83 3ius n GLY 60 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3ius n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ius s VAL 61 N -2.44 3.19 -0.03 1.61 1.01 -0.45 -4.63 120.40 118.67 3ius s VAL 61 Ca 0.00 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.07 3ius s VAL 61 Cb 0.00 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.59 3ius s VAL 61 CO 0.00 0.15 0.20 0.35 0.00 0.00 0.00 175.10 175.80 3ius n THR 62 N 2.55 0.09 -4.13 3.92 -2.24 -0.11 -4.62 114.28 109.74 3ius n THR 62 Ca 0.06 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3ius n THR 62 Cb 0.43 0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 3ius n THR 62 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ius s HIS 63 N -2.65 0.45 -0.08 4.78 3.76 -0.85 -0.39 115.29 120.31 3ius s HIS 63 Ca -0.04 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 3ius s HIS 63 Cb 0.06 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.44 3ius s HIS 63 CO 0.43 -0.01 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.63 3ius s LEU 64 N -0.23 2.58 -0.09 0.89 1.02 -0.54 -1.41 118.68 120.89 3ius s LEU 64 Ca 0.01 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 53.86 3ius s LEU 64 Cb -0.03 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.67 3ius s LEU 64 CO -0.00 0.26 -0.14 -0.22 0.02 0.00 0.00 176.35 176.27 3ius s LEU 65 N -0.23 1.67 -0.24 1.79 2.96 -0.45 -0.89 118.68 123.29 3ius s LEU 65 Ca 0.00 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3ius s LEU 65 Cb -0.13 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.61 3ius s LEU 65 CO 0.03 0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.36 3ius s ILE 66 N 0.87 2.62 -0.53 6.68 -1.09 -0.18 -0.86 121.20 128.71 3ius s ILE 66 Ca -0.10 -1.12 0.08 0.00 -2.23 0.00 0.00 60.65 57.29 3ius s ILE 66 Cb -0.15 -2.33 -0.06 0.00 -1.58 0.00 0.00 42.46 38.34 3ius s ILE 66 CO 0.01 0.22 0.43 -1.20 -1.23 0.00 0.00 174.94 173.16 3ius n SER 67 N 4.62 0.65 -4.71 3.58 7.64 -0.64 -1.43 113.62 123.34 3ius n SER 67 Ca -0.17 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 3ius n SER 67 Cb 0.47 0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 64.44 3ius n SER 67 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3ius s THR 68 N -1.56 2.80 0.53 0.44 2.01 -1.24 -4.96 115.64 113.66 3ius s THR 68 Ca 0.05 0.54 -0.20 0.00 0.31 0.00 0.00 61.69 62.38 3ius s THR 68 Cb 0.06 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 3ius s THR 68 CO 0.29 0.04 1.19 0.00 -0.69 0.00 0.00 174.62 175.44 3ius s ALA 69 N 1.35 2.74 0.65 7.40 0.00 -1.26 -4.91 121.76 127.73 3ius s ALA 69 Ca 0.70 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 3ius s ALA 69 Cb -0.42 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 3ius s ALA 69 CO 0.31 -0.91 1.05 -1.25 0.00 0.00 0.00 175.76 174.96 3ius s PRO 70 N -3.09 3.20 0.00 0.00 0.04 -1.26 -4.66 135.00 129.23 3ius s PRO 70 Ca 0.71 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3ius s PRO 70 Cb -0.29 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3ius s PRO 70 CO 0.33 -0.89 0.00 -0.40 0.04 0.00 0.00 177.00 176.08 3ius n ASP 71 N -2.75 1.93 0.00 6.66 5.68 -0.28 -4.95 116.55 122.84 3ius n ASP 71 Ca 0.07 -0.25 0.04 0.00 -0.50 0.00 0.00 54.79 54.15 3ius n ASP 71 Cb 0.54 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.69 3ius n ASP 71 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ius n SER 72 N -0.27 0.00 -0.34 -1.12 3.41 -1.26 -1.51 113.62 112.53 3ius n SER 72 Ca 0.00 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.16 3ius n SER 72 Cb 0.00 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 3ius n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ius n GLY 73 N -0.65 -0.28 0.00 5.00 0.00 -1.26 -5.04 105.19 102.95 3ius n GLY 73 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ius n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ius n GLY 74 N 1.43 0.68 3.62 -0.02 0.00 -0.57 -4.97 105.19 105.37 3ius n GLY 74 Ca 0.07 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 3ius n GLY 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ius s ASP 75 N -4.00 6.48 0.35 1.61 2.15 -1.26 -1.12 116.67 120.88 3ius s ASP 75 Ca 0.00 0.59 0.15 0.00 0.43 0.00 0.00 52.55 53.71 3ius s ASP 75 Cb 0.00 -2.30 0.65 0.00 -0.30 0.00 0.00 42.92 40.97 3ius s ASP 75 CO 0.00 -0.30 1.75 1.55 -0.17 0.00 0.00 175.17 178.00 3ius h PRO 76 N 7.94 0.00 -0.17 4.34 0.13 -1.91 -1.88 132.00 140.45 3ius h PRO 76 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 3ius h PRO 76 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ius h PRO 76 CO 0.73 0.43 -0.09 0.28 -0.23 0.00 0.00 178.00 179.12 3ius h VAL 77 N 0.00 1.31 -0.42 1.56 2.07 -1.94 -2.55 116.25 116.28 3ius h VAL 77 Ca -0.00 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3ius h VAL 77 Cb 0.84 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3ius h VAL 77 CO 0.06 0.35 0.10 -0.07 0.02 0.00 0.00 177.57 178.02 3ius h LEU 78 N 0.05 0.58 -1.69 2.57 3.38 -1.90 0.15 115.31 118.45 3ius h LEU 78 Ca 0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3ius h LEU 78 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ius h LEU 78 CO 0.03 0.58 -0.11 0.00 0.09 0.00 0.00 178.44 179.03 3ius h ALA 79 N 1.50 1.75 0.03 1.53 0.00 -1.15 -0.27 119.26 122.65 3ius h ALA 79 Ca 0.14 -0.12 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 3ius h ALA 79 Cb 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ius h ALA 79 CO -0.00 0.19 -2.18 0.00 0.00 0.00 0.00 179.25 177.26 3ius n ALA 80 N -2.51 1.32 -0.54 0.00 0.00 -0.96 -4.69 120.51 113.13 3ius n ALA 80 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3ius n ALA 80 Cb 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3ius n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ius n LEU 81 N -3.15 0.95 -0.27 0.00 4.77 0.50 -4.86 117.00 114.95 3ius n LEU 81 Ca -0.33 -0.96 0.01 0.00 -0.03 0.00 0.00 56.01 54.69 3ius n LEU 81 Cb 1.06 -0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.28 3ius n LEU 81 CO 0.38 0.24 1.12 1.23 -1.33 0.00 0.00 177.39 179.03 3ius h GLY 82 N 0.00 1.14 0.97 -0.72 0.00 -1.14 0.28 103.07 103.61 3ius h GLY 82 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3ius h GLY 82 CO 0.00 0.15 0.25 -0.55 0.00 0.00 0.00 176.54 176.39 3ius h ASP 83 N 0.76 0.62 -0.53 0.19 3.32 -1.89 -0.24 116.42 118.64 3ius h ASP 83 Ca 0.35 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3ius h ASP 83 Cb 0.26 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3ius h ASP 83 CO -0.21 0.56 -0.04 1.56 -1.72 0.00 0.00 179.24 179.38 3ius h GLN 84 N 0.64 1.00 -0.12 3.56 7.50 -1.69 -1.79 115.11 124.20 3ius h GLN 84 Ca 0.17 -0.33 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 3ius h GLN 84 Cb 0.09 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 3ius h GLN 84 CO -0.02 1.00 -0.01 0.82 -1.50 0.00 0.00 178.83 179.12 3ius h ILE 85 N 0.90 1.27 -0.90 2.54 2.04 -0.74 -2.33 117.51 120.30 3ius h ILE 85 Ca 0.16 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3ius h ILE 85 Cb 0.58 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 3ius h ILE 85 CO 0.04 0.26 0.57 0.00 0.00 0.00 0.00 178.15 179.01 3ius h ALA 86 N 0.72 1.25 0.00 1.87 0.00 -1.00 -1.23 119.26 120.88 3ius h ALA 86 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ius h ALA 86 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ius h ALA 86 CO 0.01 0.31 -0.23 0.00 0.00 0.00 0.00 179.25 179.34 3ius h ALA 87 N 1.43 1.19 -0.58 0.00 0.00 -1.20 -2.67 119.26 117.43 3ius h ALA 87 Ca 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ius h ALA 87 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ius h ALA 87 CO -0.18 0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.89 3ius n ARG 88 N -3.63 2.94 -0.29 0.00 1.74 -0.57 -4.71 116.66 112.14 3ius n ARG 88 Ca -0.01 -2.51 0.08 0.00 -0.77 0.00 0.00 57.85 54.63 3ius n ARG 88 Cb 0.36 -1.53 0.19 0.00 -1.02 0.00 0.00 32.46 30.45 3ius n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ius h ALA 89 N 3.45 0.86 0.00 7.54 0.00 -0.91 -0.22 119.26 129.98 3ius h ALA 89 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ius h ALA 89 Cb 1.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ius h ALA 89 CO 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3ius h ALA 90 N 1.82 1.00 0.00 0.00 0.00 -1.84 -2.71 119.26 117.53 3ius h ALA 90 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 3ius h ALA 90 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ius h ALA 90 CO -0.79 0.00 -0.61 -0.56 0.00 0.00 0.00 179.25 177.29 3ius h GLN 91 N 0.00 0.00 -6.59 0.00 3.07 -1.40 -3.46 115.11 106.73 3ius h GLN 91 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 3ius h GLN 91 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 3ius h GLN 91 CO 0.00 0.21 0.20 -0.06 0.09 0.00 0.00 178.83 179.27 3ius s PHE 92 N -3.11 3.84 0.00 0.06 0.08 -1.02 -4.73 117.98 113.10 3ius s PHE 92 Ca 0.03 1.63 0.06 0.00 0.12 0.00 0.00 56.93 58.76 3ius s PHE 92 Cb 0.07 -2.77 -0.24 0.00 -0.57 0.00 0.00 43.02 39.51 3ius s PHE 92 CO 0.74 0.45 0.83 0.00 -0.10 0.00 0.00 175.22 177.14 3ius h ARG 93 N 4.01 0.08 -2.07 0.44 3.08 -1.06 -3.45 114.38 115.42 3ius h ARG 93 Ca -0.47 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.44 3ius h ARG 93 Cb 1.20 0.05 -0.22 0.00 0.08 0.00 0.00 29.97 31.09 3ius h ARG 93 CO 0.66 0.82 -0.01 -0.46 -1.07 0.00 0.00 179.97 179.91 3ius s TRP 94 N -2.63 -1.01 -0.10 3.04 -0.00 -1.23 -4.84 118.94 112.18 3ius s TRP 94 Ca -0.06 2.04 0.03 0.00 -0.00 0.00 0.00 56.10 58.11 3ius s TRP 94 Cb 0.08 0.59 0.01 0.00 -0.00 0.00 0.00 33.47 34.15 3ius s TRP 94 CO 0.83 -0.51 -0.18 0.08 -0.00 0.00 0.00 176.95 177.17 3ius s VAL 95 N 1.59 1.68 -0.16 5.86 1.01 -0.40 -1.46 120.40 128.51 3ius s VAL 95 Ca -0.10 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3ius s VAL 95 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3ius s VAL 95 CO -0.19 0.48 -0.20 -0.83 0.00 0.00 0.00 175.10 174.36 3ius s GLY 96 N 0.68 1.40 -0.21 4.51 0.00 -0.07 0.00 107.32 113.63 3ius s GLY 96 Ca -0.12 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.38 3ius s GLY 96 CO 0.03 0.13 0.05 -0.47 0.00 0.00 0.00 173.10 172.85 3ius s TYR 97 N 1.05 3.13 -0.36 1.90 5.04 0.13 -1.01 117.35 127.23 3ius s TYR 97 Ca -0.01 -0.23 -0.24 0.00 -2.44 0.00 0.00 57.07 54.15 3ius s TYR 97 Cb -0.14 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.03 3ius s TYR 97 CO -0.07 -0.14 0.81 -0.51 -1.34 0.00 0.00 175.55 174.31 3ius s LEU 98 N 1.03 4.10 0.00 6.97 1.43 -0.51 -1.51 118.68 130.19 3ius s LEU 98 Ca 0.04 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3ius s LEU 98 Cb -0.14 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3ius s LEU 98 CO 0.03 -0.75 0.00 -0.24 0.23 0.00 0.00 176.35 175.62 3ius n SER 99 N 6.48 1.09 -4.18 2.29 2.88 0.13 -4.86 113.62 117.44 3ius n SER 99 Ca 0.04 -0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 57.05 3ius n SER 99 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 3ius n SER 99 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ius s THR 100 N 0.81 0.07 -1.68 2.46 -4.23 -1.26 -1.80 115.64 110.01 3ius s THR 100 Ca 0.00 -1.95 0.29 0.00 -1.18 0.00 0.00 61.69 58.85 3ius s THR 100 Cb 0.00 -2.27 0.65 0.00 1.34 0.00 0.00 72.50 72.23 3ius s THR 100 CO 0.00 -0.24 2.04 0.35 -0.54 0.00 0.00 174.62 176.23 3ius n THR 101 N -0.18 0.04 0.32 3.99 -2.24 -1.01 -3.59 114.28 111.61 3ius n THR 101 Ca -0.02 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 3ius n THR 101 Cb 0.65 -0.54 0.32 0.00 -2.10 0.00 0.00 70.33 68.65 3ius n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ius n ALA 102 N -1.16 1.44 0.31 6.98 0.00 -1.26 -2.22 120.51 124.61 3ius n ALA 102 Ca 0.17 0.02 0.19 0.00 0.00 0.00 0.00 53.44 53.83 3ius n ALA 102 Cb 0.17 -1.23 1.04 0.00 0.00 0.00 0.00 19.45 19.43 3ius n ALA 102 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3ius h VAL 103 N 0.00 0.20 0.09 0.00 -1.51 -1.82 -3.12 116.25 110.09 3ius h VAL 103 Ca 0.00 -0.12 -0.29 0.00 -1.23 0.00 0.00 66.70 65.06 3ius h VAL 103 Cb 0.19 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 3ius h VAL 103 CO 0.00 0.01 -1.47 1.88 -1.23 0.00 0.00 177.57 176.76 3ius h TYR 104 N 0.00 0.36 0.00 5.19 0.05 -1.76 -2.60 116.97 118.20 3ius h TYR 104 Ca -0.00 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.52 3ius h TYR 104 Cb 0.09 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3ius h TYR 104 CO 0.00 1.30 0.00 0.41 -1.05 0.00 0.00 178.16 178.82 3ius n GLY 105 N 1.61 -0.88 3.69 3.88 0.00 -1.18 -3.10 105.19 109.22 3ius n GLY 105 Ca -0.14 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 3ius n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ius s ASP 106 N -4.00 6.40 -0.09 1.61 2.15 -1.26 -4.46 116.67 117.02 3ius s ASP 106 Ca 0.00 0.47 0.13 0.00 0.43 0.00 0.00 52.55 53.58 3ius s ASP 106 Cb 0.00 -2.20 0.23 0.00 -0.30 0.00 0.00 42.92 40.65 3ius s ASP 106 CO 0.00 -0.00 1.12 1.41 -0.17 0.00 0.00 175.17 177.52 3ius n HIS 107 N 4.16 0.00 -4.38 -5.34 8.25 -0.36 -4.90 115.22 112.64 3ius n HIS 107 Ca -0.10 -0.73 -0.40 0.00 -0.26 0.00 0.00 57.72 56.24 3ius n HIS 107 Cb 0.51 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 3ius n HIS 107 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ius n ASP 108 N -0.82 -2.28 0.00 0.41 2.03 -0.95 -1.12 116.55 113.81 3ius n ASP 108 Ca 0.11 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.30 3ius n ASP 108 Cb 0.70 -1.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 3ius n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ius n GLY 109 N -1.14 1.40 3.71 0.27 0.00 -0.51 -4.95 105.19 103.97 3ius n GLY 109 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3ius n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius s ALA 110 N -2.33 1.65 0.06 4.61 0.00 -0.28 -3.89 121.76 121.59 3ius s ALA 110 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 3ius s ALA 110 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 3ius s ALA 110 CO 0.00 -2.31 0.78 -1.58 0.00 0.00 0.00 175.76 172.65 3ius s TRP 111 N -2.85 3.76 0.27 0.00 0.52 -1.26 -1.44 118.94 117.94 3ius s TRP 111 Ca 0.63 1.51 0.11 0.00 0.02 0.00 0.00 56.10 58.37 3ius s TRP 111 Cb -0.19 -2.83 -0.05 0.00 -1.15 0.00 0.00 33.47 29.25 3ius s TRP 111 CO 0.57 0.29 -0.17 0.14 0.02 0.00 0.00 176.95 177.80 3ius s VAL 112 N -0.17 2.30 0.11 4.03 -7.23 0.76 -4.92 120.40 115.28 3ius s VAL 112 Ca 0.39 -2.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3ius s VAL 112 Cb -0.21 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 3ius s VAL 112 CO 0.24 -0.41 0.08 -0.90 -0.31 0.00 0.00 175.10 173.80 3ius n ASP 113 N -0.60 0.11 0.00 4.85 5.68 -1.26 -1.47 116.55 123.85 3ius n ASP 113 Ca -0.06 -1.67 0.02 0.00 -0.50 0.00 0.00 54.79 52.58 3ius n ASP 113 Cb 0.61 0.46 0.10 0.00 -1.14 0.00 0.00 41.12 41.15 3ius n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ius n GLU 114 N -0.22 0.00 0.00 0.11 4.71 -1.26 -1.77 120.64 122.22 3ius n GLU 114 Ca 0.01 0.41 0.09 0.00 -0.01 0.00 0.00 57.16 57.67 3ius n GLU 114 Cb 0.19 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.02 3ius n GLU 114 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3ius n THR 115 N -1.49 0.00 -1.91 2.62 -2.24 -1.26 -4.96 114.28 105.05 3ius n THR 115 Ca 0.01 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 3ius n THR 115 Cb 0.05 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3ius n THR 115 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ius s THR 116 N -2.75 2.37 0.64 4.28 2.01 -0.73 -4.96 115.64 116.49 3ius s THR 116 Ca 0.08 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.22 3ius s THR 116 Cb 0.15 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 3ius s THR 116 CO 0.76 0.06 1.21 -2.84 -0.69 0.00 0.00 174.62 173.11 3ius s PRO 117 N -0.72 2.70 -0.26 4.92 0.02 -1.26 -4.95 135.00 135.45 3ius s PRO 117 Ca 0.59 1.81 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 3ius s PRO 117 Cb -0.44 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.16 3ius s PRO 117 CO 0.48 -1.41 0.58 -0.51 -0.33 0.00 0.00 177.00 175.81 3ius s LEU 118 N -4.43 4.06 -0.39 -5.54 1.43 -1.26 -4.81 118.68 107.72 3ius s LEU 118 Ca 0.77 0.64 0.11 0.00 -1.03 0.00 0.00 54.13 54.62 3ius s LEU 118 Cb -0.30 -2.78 0.36 0.00 0.03 0.00 0.00 46.19 43.50 3ius s LEU 118 CO 0.37 -0.34 0.78 0.35 0.23 0.00 0.00 176.35 177.75 3ius n THR 119 N 5.18 0.38 -1.81 5.49 -2.24 -0.98 -4.99 114.28 115.31 3ius n THR 119 Ca -0.02 -4.61 -0.39 0.00 -2.27 0.00 0.00 64.05 56.76 3ius n THR 119 Cb 0.49 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3ius n THR 119 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ius s PRO 120 N -2.63 3.36 0.00 -0.78 0.04 -1.21 -3.92 135.00 129.85 3ius s PRO 120 Ca 0.40 2.28 0.11 0.00 0.04 0.00 0.00 61.00 63.83 3ius s PRO 120 Cb 0.35 -2.40 0.09 0.00 0.04 0.00 0.00 34.50 32.58 3ius s PRO 120 CO -0.08 -1.03 0.85 0.25 0.04 0.00 0.00 177.00 177.02 3ius n THR 121 N -0.71 0.03 -4.43 1.26 -2.24 -1.26 -4.79 114.28 102.14 3ius n THR 121 Ca 0.08 -0.52 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 3ius n THR 121 Cb 0.44 1.20 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 3ius n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ius s ALA 122 N -0.88 2.57 0.17 6.98 0.00 -1.26 -5.04 121.76 124.29 3ius s ALA 122 Ca 0.13 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 3ius s ALA 122 Cb 0.09 -0.30 0.12 0.00 0.00 0.00 0.00 23.12 23.03 3ius s ALA 122 CO 0.13 0.37 1.72 0.00 0.00 0.00 0.00 175.76 177.98 3ius h ALA 123 N 2.90 0.44 -0.90 0.00 0.00 -1.99 -0.83 119.26 118.88 3ius h ALA 123 Ca -0.44 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ius h ALA 123 Cb 1.22 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 3ius h ALA 123 CO 0.52 -0.33 0.53 0.00 0.00 0.00 0.00 179.25 179.97 3ius h ARG 124 N 0.19 1.23 -0.27 0.00 -0.00 -1.98 -0.79 114.38 112.76 3ius h ARG 124 Ca 0.20 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 3ius h ARG 124 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 3ius h ARG 124 CO -0.28 0.87 0.12 0.78 0.00 0.00 0.00 179.97 181.46 3ius h GLY 125 N 1.24 0.43 0.56 0.04 0.00 -1.63 0.11 103.07 103.82 3ius h GLY 125 Ca 0.32 -0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.50 3ius h GLY 125 CO -0.06 0.21 0.29 3.21 0.00 0.00 0.00 176.54 180.19 3ius h ARG 126 N 0.30 0.52 -0.16 4.80 3.08 -0.85 -0.97 114.38 121.09 3ius h ARG 126 Ca 0.09 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3ius h ARG 126 Cb 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3ius h ARG 126 CO -0.01 0.34 -0.31 -1.49 -1.07 0.00 0.00 179.97 177.43 3ius h TRP 127 N 0.53 0.36 -0.29 3.04 6.55 -0.84 -2.85 115.95 122.45 3ius h TRP 127 Ca 0.29 -0.08 -0.16 0.00 0.95 0.00 0.00 58.89 59.89 3ius h TRP 127 Cb 0.26 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.47 3ius h TRP 127 CO -0.12 0.60 -0.47 -0.09 -1.05 0.00 0.00 178.44 177.31 3ius h ARG 128 N 0.28 0.77 -1.27 0.49 9.65 -0.50 -0.86 114.38 122.95 3ius h ARG 128 Ca 0.04 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 3ius h ARG 128 Cb 0.69 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3ius h ARG 128 CO 0.05 1.07 0.00 0.28 2.80 0.00 0.00 179.97 184.17 3ius n VAL 129 N -4.01 0.14 0.00 0.20 0.31 -0.41 -1.45 118.33 113.11 3ius n VAL 129 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3ius n VAL 129 Cb 0.58 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3ius n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ius n ALA 131 N 0.73 0.00 -0.10 3.52 0.00 -0.33 -1.46 120.51 122.87 3ius n ALA 131 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ius n ALA 131 Cb 0.09 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.55 3ius n ALA 131 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3ius h GLU 132 N 0.00 0.25 -0.18 0.00 5.08 -1.52 -1.34 114.58 116.86 3ius h GLU 132 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3ius h GLU 132 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ius h GLU 132 CO 0.00 0.16 -0.02 1.96 -1.00 0.00 0.00 179.01 180.11 3ius h GLN 133 N 0.25 0.27 -0.22 2.33 4.20 -1.52 0.70 115.11 121.12 3ius h GLN 133 Ca 0.16 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3ius h GLN 133 Cb 0.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3ius h GLN 133 CO -0.18 0.31 -0.38 1.96 -0.67 0.00 0.00 178.83 179.87 3ius h GLN 134 N 0.26 0.64 -0.57 1.46 4.20 -1.67 -1.89 115.11 117.56 3ius h GLN 134 Ca 0.06 -0.40 -0.10 0.00 0.06 0.00 0.00 58.65 58.27 3ius h GLN 134 Cb 0.22 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3ius h GLN 134 CO 0.01 1.02 -0.05 -1.49 -0.67 0.00 0.00 178.83 177.64 3ius h TRP 135 N 0.34 1.14 0.00 2.96 4.06 -0.84 -2.65 115.95 120.97 3ius h TRP 135 Ca 0.01 -0.22 0.00 0.00 2.06 0.00 0.00 58.89 60.75 3ius h TRP 135 Cb 0.98 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3ius h TRP 135 CO 0.09 1.03 0.00 1.96 -3.56 0.00 0.00 178.44 177.96 3ius h GLN 136 N 0.92 0.00 0.00 0.49 4.20 -0.75 -2.74 115.11 117.23 3ius h GLN 136 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ius h GLN 136 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3ius h GLN 136 CO 0.04 0.00 -0.56 0.00 -0.67 0.00 0.00 178.83 177.64 3ius n ALA 137 N -1.90 3.06 -2.08 3.87 0.00 -0.72 -4.81 120.51 117.92 3ius n ALA 137 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 3ius n ALA 137 Cb 0.19 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3ius n ALA 137 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ius s VAL 138 N -3.11 3.67 0.21 0.00 1.01 -1.04 -4.93 120.40 116.22 3ius s VAL 138 Ca 0.08 0.78 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 3ius s VAL 138 Cb 0.15 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3ius s VAL 138 CO 0.71 -0.20 1.49 -2.84 0.00 0.00 0.00 175.10 174.25 3ius s PRO 139 N 4.44 4.25 -1.58 2.72 0.02 -1.26 -3.27 135.00 140.31 3ius s PRO 139 Ca 0.72 2.31 0.00 0.00 0.02 0.00 0.00 61.00 64.05 3ius s PRO 139 Cb -0.28 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.11 3ius s PRO 139 CO 0.29 -0.49 0.00 0.09 -0.33 0.00 0.00 177.00 176.55 3ius n ASN 140 N 3.03 -4.82 -4.76 2.53 5.03 -1.26 -4.88 115.26 110.13 3ius n ASN 140 Ca 0.10 0.31 -0.39 0.00 0.87 0.00 0.00 54.58 55.46 3ius n ASN 140 Cb 0.40 -3.74 -0.05 0.00 -1.02 0.00 0.00 39.78 35.37 3ius n ASN 140 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ius s LEU 141 N -3.70 4.42 -1.33 3.41 2.96 -1.20 -4.62 118.68 118.61 3ius s LEU 141 Ca 0.00 1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 54.99 3ius s LEU 141 Cb 0.00 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3ius s LEU 141 CO 0.00 0.08 2.29 -0.81 -1.32 0.00 0.00 176.35 176.59 3ius n PRO 142 N 2.78 2.70 -3.03 0.98 -0.04 -1.26 -4.68 135.00 132.46 3ius n PRO 142 Ca -0.06 -2.33 -0.40 0.00 -0.04 0.00 0.00 63.50 60.68 3ius n PRO 142 Cb 0.51 -3.09 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 3ius n PRO 142 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ius s LEU 143 N 1.54 4.47 -0.04 1.53 2.96 -1.26 -1.27 118.68 126.60 3ius s LEU 143 Ca 0.52 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.90 3ius s LEU 143 Cb 0.15 -3.18 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 3ius s LEU 143 CO -0.04 0.06 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.90 3ius s HIS 144 N -0.26 1.58 -0.15 5.38 3.76 0.10 0.30 115.29 126.00 3ius s HIS 144 Ca 0.37 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3ius s HIS 144 Cb -0.20 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 3ius s HIS 144 CO 0.22 -0.17 -0.13 0.08 -0.85 0.00 0.00 174.74 173.89 3ius s VAL 145 N 0.13 2.94 -0.30 -0.90 1.01 -0.62 -0.70 120.40 121.96 3ius s VAL 145 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ius s VAL 145 Cb -0.11 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.08 3ius s VAL 145 CO 0.02 0.51 -0.01 -0.36 0.00 0.00 0.00 175.10 175.26 3ius s PHE 146 N 0.63 3.35 -0.72 5.22 0.08 -0.57 -0.34 117.98 125.63 3ius s PHE 146 Ca -0.07 -2.20 -0.24 0.00 0.12 0.00 0.00 56.93 54.54 3ius s PHE 146 Cb -0.16 -2.25 0.06 0.00 -0.57 0.00 0.00 43.02 40.11 3ius s PHE 146 CO 0.03 -0.86 1.10 1.03 -0.10 0.00 0.00 175.22 176.42 3ius s ARG 147 N 1.15 3.20 0.25 0.44 0.52 0.09 0.22 118.95 124.82 3ius s ARG 147 Ca -0.03 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 3ius s ARG 147 Cb -0.20 -4.33 -0.09 0.00 0.52 0.00 0.00 34.95 30.85 3ius s ARG 147 CO -0.03 -1.94 0.91 -0.51 0.02 0.00 0.00 175.30 173.75 3ius s LEU 148 N 4.53 4.56 0.00 2.53 1.43 -0.74 -0.84 118.68 130.14 3ius s LEU 148 Ca 0.28 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 3ius s LEU 148 Cb -0.12 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.59 3ius s LEU 148 CO 0.09 0.11 0.96 0.00 0.23 0.00 0.00 176.35 177.74 3ius n ALA 149 N 1.25 -1.05 -1.69 4.21 0.00 -0.79 -2.40 120.51 120.03 3ius n ALA 149 Ca -0.02 -1.28 -0.44 0.00 0.00 0.00 0.00 53.44 51.71 3ius n ALA 149 Cb 0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3ius n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ius n GLY 150 N -1.31 1.42 3.83 0.00 0.00 -0.62 -4.64 105.19 103.87 3ius n GLY 150 Ca 0.12 0.66 -0.38 0.00 0.00 0.00 0.00 46.02 46.43 3ius n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ius s ILE 151 N 1.53 5.14 0.19 -0.61 1.01 -1.26 -0.44 121.20 126.76 3ius s ILE 151 Ca 0.78 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 62.11 3ius s ILE 151 Cb -0.57 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 3ius s ILE 151 CO 0.36 0.56 0.18 -0.72 0.00 0.00 0.00 174.94 175.31 3ius s TYR 152 N -0.85 0.95 -5.00 3.97 -0.85 -0.71 -4.93 117.35 109.94 3ius s TYR 152 Ca 0.22 -1.23 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 3ius s TYR 152 Cb -0.15 -0.41 0.00 0.00 0.38 0.00 0.00 41.96 41.77 3ius s TYR 152 CO 0.11 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 3ius n GLY 153 N -0.25 -0.75 3.69 5.49 0.00 -0.87 -0.79 105.19 111.70 3ius n GLY 153 Ca -0.00 -1.38 -0.53 0.00 0.00 0.00 0.00 46.02 44.11 3ius n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ius n PRO 154 N 0.00 1.63 -0.94 1.61 -0.02 -1.26 -0.85 135.00 135.17 3ius n PRO 154 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ius n PRO 154 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3ius n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 155 N 4.43 0.53 2.41 -1.23 0.00 -1.26 -4.93 105.19 105.14 3ius n GLY 155 Ca 0.25 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 3ius n GLY 155 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ius n ARG 156 N -2.94 0.75 -2.77 1.61 0.63 -0.03 -5.13 116.66 108.78 3ius n ARG 156 Ca 0.00 -2.64 -0.12 0.00 -0.92 0.00 0.00 57.85 54.16 3ius n ARG 156 Cb 0.00 -1.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 3ius n ARG 156 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ius n GLY 157 N 1.45 3.38 0.35 5.14 0.00 -1.25 -2.05 105.19 112.21 3ius n GLY 157 Ca 0.16 -2.25 0.01 0.00 0.00 0.00 0.00 46.02 43.95 3ius n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ius h PRO 158 N 0.00 1.06 -7.16 1.61 0.11 -1.96 -3.50 132.00 122.16 3ius h PRO 158 Ca -0.16 -0.06 -0.48 0.00 0.11 0.00 0.00 66.00 65.40 3ius h PRO 158 Cb 0.53 -0.24 0.05 0.00 0.11 0.00 0.00 31.00 31.45 3ius h PRO 158 CO 0.26 0.70 0.38 -0.59 -0.21 0.00 0.00 178.00 178.54 3ius s PHE 159 N -6.06 3.04 0.00 0.65 -0.00 -1.26 -5.08 117.98 109.28 3ius s PHE 159 Ca -0.13 1.53 0.00 0.00 -0.00 0.00 0.00 56.93 58.33 3ius s PHE 159 Cb 0.19 -3.00 0.00 0.00 -0.00 0.00 0.00 43.02 40.21 3ius s PHE 159 CO 0.80 -0.95 0.00 0.41 -0.00 0.00 0.00 175.22 175.48 3ius n GLY 165 N -0.83 0.63 3.72 1.99 0.00 -1.26 -5.00 105.19 104.44 3ius n GLY 165 Ca 0.09 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3ius n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ius s GLY 166 N -2.15 2.53 -0.17 -0.02 0.00 -1.26 -5.03 107.32 101.22 3ius s GLY 166 Ca 0.00 0.90 -0.06 0.00 0.00 0.00 0.00 44.72 45.56 3ius s GLY 166 CO 0.00 1.94 0.02 -0.42 0.00 0.00 0.00 173.10 174.65 3ius s ILE 167 N 0.51 4.44 0.06 0.90 1.09 -1.26 -5.10 121.20 121.84 3ius s ILE 167 Ca 0.56 -0.16 0.02 0.00 -1.10 0.00 0.00 60.65 59.97 3ius s ILE 167 Cb -0.31 -2.98 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 3ius s ILE 167 CO 0.33 0.47 -0.08 0.00 -0.10 0.00 0.00 174.94 175.56 3ius s ARG 168 N 0.36 0.66 -0.45 2.79 3.03 -1.26 -4.41 118.95 119.66 3ius s ARG 168 Ca 0.00 -0.96 -0.15 0.00 2.03 0.00 0.00 55.73 56.65 3ius s ARG 168 Cb -0.13 -0.32 0.06 0.00 -1.03 0.00 0.00 34.95 33.53 3ius s ARG 168 CO 0.01 0.04 0.36 1.03 -1.13 0.00 0.00 175.30 175.61 3ius s ARG 169 N -2.32 2.93 -0.28 3.89 0.52 0.29 -4.98 118.95 119.00 3ius s ARG 169 Ca -0.02 -1.29 -0.23 0.00 -0.52 0.00 0.00 55.73 53.67 3ius s ARG 169 Cb -0.05 -4.05 -0.00 0.00 0.52 0.00 0.00 34.95 31.36 3ius s ARG 169 CO -0.01 -0.96 0.77 0.42 0.02 0.00 0.00 175.30 175.54 3ius s ILE 170 N 1.62 4.84 -0.51 1.52 -1.09 -1.26 -1.29 121.20 125.03 3ius s ILE 170 Ca 0.04 1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 59.58 3ius s ILE 170 Cb -0.23 -4.10 0.13 0.00 -1.58 0.00 0.00 42.46 36.67 3ius s ILE 170 CO 0.07 -0.16 0.42 -0.63 -1.23 0.00 0.00 174.94 173.40 3ius s ILE 171 N 2.85 4.65 -0.29 2.92 -1.09 -0.57 -4.43 121.20 125.24 3ius s ILE 171 Ca 0.32 -1.68 -0.09 0.00 -2.23 0.00 0.00 60.65 56.96 3ius s ILE 171 Cb -0.15 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 3ius s ILE 171 CO 0.11 -0.82 0.14 -0.75 -1.23 0.00 0.00 174.94 172.39 3ius s LYS 172 N 1.44 3.56 -0.00 2.79 2.20 -1.26 -0.85 119.74 127.62 3ius s LYS 172 Ca 0.05 -0.56 -0.34 0.00 -0.36 0.00 0.00 55.97 54.76 3ius s LYS 172 Cb -0.28 -3.53 -0.12 0.00 -1.51 0.00 0.00 37.83 32.40 3ius s LYS 172 CO 0.01 -0.30 1.80 -2.30 -0.36 0.00 0.00 175.35 174.20 3ius n PRO 173 N 4.99 2.25 0.00 4.03 -0.02 -1.26 -1.52 135.00 143.47 3ius n PRO 173 Ca -0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ius n PRO 173 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3ius n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 174 N 4.13 1.62 3.72 -1.23 0.00 -1.26 -5.03 105.19 107.15 3ius n GLY 174 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ius n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ius s GLN 175 N -0.64 4.42 0.21 1.61 2.00 -0.58 -4.90 119.66 121.78 3ius s GLN 175 Ca 0.00 1.89 0.03 0.00 -2.00 0.00 0.00 55.36 55.28 3ius s GLN 175 Cb 0.00 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 3ius s GLN 175 CO 0.00 -0.25 0.00 0.14 -0.50 0.00 0.00 175.29 174.68 3ius s VAL 176 N 0.69 0.84 0.07 1.34 -7.23 -1.26 -4.12 120.40 110.72 3ius s VAL 176 Ca 0.58 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3ius s VAL 176 Cb -0.33 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3ius s VAL 176 CO 0.32 -0.37 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.32 3ius s PHE 177 N -3.55 0.69 0.07 2.82 0.08 -0.42 -4.64 117.98 113.03 3ius s PHE 177 Ca 0.27 -0.84 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 3ius s PHE 177 Cb 0.06 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 3ius s PHE 177 CO 0.07 -0.20 0.26 -1.12 -0.10 0.00 0.00 175.22 174.12 3ius s SER 178 N -2.60 6.41 0.06 1.36 0.01 -1.26 -1.75 113.70 115.93 3ius s SER 178 Ca 0.04 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.70 3ius s SER 178 Cb 0.02 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 3ius s SER 178 CO -0.05 0.16 -0.05 -0.13 0.41 0.00 0.00 173.24 173.58 3ius s ARG 179 N -2.40 0.65 -0.14 12.44 1.81 -1.26 -1.59 118.95 128.45 3ius s ARG 179 Ca 0.35 -1.12 -0.11 0.00 -1.72 0.00 0.00 55.73 53.13 3ius s ARG 179 Cb -0.13 -0.03 0.04 0.00 -0.45 0.00 0.00 34.95 34.39 3ius s ARG 179 CO 0.25 -0.05 0.36 -1.50 -0.68 0.00 0.00 175.30 173.68 3ius s ILE 180 N -3.15 -0.01 0.08 1.52 1.10 0.41 -1.20 121.20 119.95 3ius s ILE 180 Ca 0.04 0.04 -0.27 0.00 -0.51 0.00 0.00 60.65 59.95 3ius s ILE 180 Cb 0.02 -0.51 -0.06 0.00 0.15 0.00 0.00 42.46 42.06 3ius s ILE 180 CO -0.05 0.02 0.84 -2.28 -2.11 0.00 0.00 174.94 171.35 3ius s HIS 181 N 0.64 3.78 0.56 3.50 5.65 -1.26 -1.74 115.29 126.43 3ius s HIS 181 Ca -0.04 1.61 0.25 0.00 0.25 0.00 0.00 55.06 57.13 3ius s HIS 181 Cb -0.05 -2.90 1.51 0.00 -1.18 0.00 0.00 32.58 29.96 3ius s HIS 181 CO -0.04 0.27 2.09 -0.24 -0.65 0.00 0.00 174.74 176.16 3ius h VAL 182 N 4.02 0.66 0.00 0.89 3.04 -1.35 0.16 116.25 123.67 3ius h VAL 182 Ca -0.44 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 3ius h VAL 182 Cb 1.21 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3ius h VAL 182 CO 0.71 0.00 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.65 3ius h GLU 183 N 0.00 0.00 0.00 4.17 5.08 -1.91 -2.24 114.58 119.68 3ius h GLU 183 Ca 0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3ius h GLU 183 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3ius h GLU 183 CO -0.00 0.28 -0.65 -0.44 -1.00 0.00 0.00 179.01 177.20 3ius h ASP 184 N 0.00 0.00 -0.29 1.42 3.32 -1.07 -2.55 116.42 117.25 3ius h ASP 184 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3ius h ASP 184 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3ius h ASP 184 CO 0.04 0.58 0.08 0.40 -1.72 0.00 0.00 179.24 178.61 3ius h ILE 185 N 0.00 1.21 -0.90 0.35 2.04 -1.19 -1.88 117.51 117.14 3ius h ILE 185 Ca -0.02 -0.70 0.13 0.00 1.00 0.00 0.00 64.86 65.28 3ius h ILE 185 Cb 1.46 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 38.57 3ius h ILE 185 CO 0.07 0.23 0.52 0.00 0.00 0.00 0.00 178.15 178.97 3ius h ALA 186 N 0.90 1.37 -0.38 1.87 0.00 -1.38 0.05 119.26 121.69 3ius h ALA 186 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ius h ALA 186 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ius h ALA 186 CO 0.00 0.04 0.18 1.96 0.00 0.00 0.00 179.25 181.43 3ius h GLN 187 N 0.77 0.55 -0.31 0.00 4.20 -1.32 -2.08 115.11 116.92 3ius h GLN 187 Ca 0.47 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.97 3ius h GLN 187 Cb 0.58 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3ius h GLN 187 CO -0.31 0.49 -0.34 0.28 -0.67 0.00 0.00 178.83 178.27 3ius h VAL 188 N 0.47 1.28 -0.17 -0.54 2.07 -0.40 -1.03 116.25 117.94 3ius h VAL 188 Ca 0.13 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 3ius h VAL 188 Cb 0.12 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3ius h VAL 188 CO -0.02 0.48 -0.30 -0.07 0.02 0.00 0.00 177.57 177.68 3ius h LEU 189 N 0.57 0.55 -1.12 2.57 3.38 -1.02 -0.62 115.31 119.63 3ius h LEU 189 Ca 0.06 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3ius h LEU 189 Cb 0.85 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3ius h LEU 189 CO 0.07 0.99 0.47 0.00 0.09 0.00 0.00 178.44 180.06 3ius h ALA 190 N 0.58 1.34 -0.37 1.53 0.00 -1.30 -2.82 119.26 118.21 3ius h ALA 190 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3ius h ALA 190 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ius h ALA 190 CO 0.07 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 3ius h ALA 191 N 1.42 0.53 0.00 0.00 0.00 -0.96 -2.83 119.26 117.43 3ius h ALA 191 Ca 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ius h ALA 191 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ius h ALA 191 CO -0.05 0.51 0.00 0.45 0.00 0.00 0.00 179.25 180.16 3ius n SER 192 N -4.23 0.00 0.00 0.00 2.88 -0.26 -1.83 113.62 110.18 3ius n SER 192 Ca -0.02 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 3ius n SER 192 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3ius n SER 192 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ius n ALA 194 N 1.21 0.00 -3.31 -1.46 0.00 -1.07 -2.23 120.51 113.66 3ius n ALA 194 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3ius n ALA 194 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3ius n ALA 194 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ius n ARG 195 N 0.00 1.59 -1.75 0.00 1.74 -0.76 -5.11 116.66 112.36 3ius n ARG 195 Ca 0.00 -3.93 -0.39 0.00 -0.77 0.00 0.00 57.85 52.76 3ius n ARG 195 Cb 0.00 -1.72 0.04 0.00 -1.02 0.00 0.00 32.46 29.75 3ius n ARG 195 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ius n PRO 196 N 1.15 1.90 -3.03 5.56 -0.02 -0.94 -4.98 135.00 134.63 3ius n PRO 196 Ca 0.25 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.27 3ius n PRO 196 Cb 0.47 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 3ius n PRO 196 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3ius n ASP 197 N -0.74 -1.95 -4.57 2.55 2.03 -1.26 -5.13 116.55 107.48 3ius n ASP 197 Ca 0.09 -2.75 -0.56 0.00 0.52 0.00 0.00 54.79 52.09 3ius n ASP 197 Cb 0.43 0.69 -0.07 0.00 -0.72 0.00 0.00 41.12 41.45 3ius n ASP 197 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3ius n PRO 198 N 2.58 0.59 0.00 -0.67 -0.02 -1.26 -1.11 135.00 135.11 3ius n PRO 198 Ca 0.22 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3ius n PRO 198 Cb 0.54 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3ius n PRO 198 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ius n GLY 199 N 2.29 3.37 3.74 -1.23 0.00 0.15 -4.89 105.19 108.62 3ius n GLY 199 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ius n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ius n ALA 200 N -1.51 2.14 -2.80 4.61 0.00 -0.27 -4.83 120.51 117.85 3ius n ALA 200 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 3ius n ALA 200 Cb 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 16.92 3ius n ALA 200 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ius s VAL 201 N -0.65 3.26 -0.07 0.00 1.01 -1.26 -1.60 120.40 121.09 3ius s VAL 201 Ca 0.58 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3ius s VAL 201 Cb -0.51 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3ius s VAL 201 CO 0.57 0.55 -0.11 -0.31 0.00 0.00 0.00 175.10 175.81 3ius s TYR 202 N -0.17 1.37 -0.07 5.22 2.02 0.54 -4.92 117.35 121.34 3ius s TYR 202 Ca 0.00 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.89 3ius s TYR 202 Cb -0.13 -1.03 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3ius s TYR 202 CO 0.03 -0.29 1.11 -0.80 -1.57 0.00 0.00 175.55 174.04 3ius s ASN 203 N 0.80 7.14 -0.64 2.29 0.01 -1.26 -0.73 114.94 122.55 3ius s ASN 203 Ca -0.12 1.71 -0.02 0.00 -0.71 0.00 0.00 52.86 53.71 3ius s ASN 203 Cb -0.15 -2.56 0.16 0.00 0.41 0.00 0.00 41.25 39.11 3ius s ASN 203 CO 0.02 -0.51 0.45 -0.69 -1.51 0.00 0.00 177.10 174.86 3ius s VAL 204 N 2.03 3.63 0.20 1.60 1.01 -0.02 -4.69 120.40 124.16 3ius s VAL 204 Ca 0.53 -3.10 -0.08 0.00 0.00 0.00 0.00 61.98 59.33 3ius s VAL 204 Cb -0.22 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3ius s VAL 204 CO 0.21 -0.89 0.29 0.00 0.00 0.00 0.00 175.10 174.71 3ius n ASP 206 N -0.27 0.18 -0.01 0.00 5.68 -0.34 -4.81 116.55 116.99 3ius n ASP 206 Ca -0.03 -1.20 0.14 0.00 -0.50 0.00 0.00 54.79 53.20 3ius n ASP 206 Cb 0.63 -0.19 0.53 0.00 -1.14 0.00 0.00 41.12 40.96 3ius n ASP 206 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ius n ASP 207 N -3.08 0.15 -3.67 -1.12 8.00 0.13 -4.68 116.55 112.29 3ius n ASP 207 Ca 0.04 0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.48 3ius n ASP 207 Cb 0.13 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.83 3ius n ASP 207 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ius s GLU 208 N -2.96 1.17 0.07 -1.24 2.12 -1.25 -5.05 118.70 111.57 3ius s GLU 208 Ca 0.15 -1.91 -0.37 0.00 0.36 0.00 0.00 54.97 53.20 3ius s GLU 208 Cb 0.19 -2.16 -0.16 0.00 0.26 0.00 0.00 34.13 32.25 3ius s GLU 208 CO 0.57 -1.17 1.41 -2.30 -0.54 0.00 0.00 175.26 173.23 3ius n PRO 209 N 3.59 1.31 -4.09 4.30 -0.02 -1.26 -4.78 135.00 134.05 3ius n PRO 209 Ca 0.10 0.47 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3ius n PRO 209 Cb 0.35 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3ius n PRO 209 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ius s VAL 210 N 0.83 0.35 0.41 -1.45 0.11 -0.72 -4.86 120.40 115.07 3ius s VAL 210 Ca 0.85 -0.13 -0.27 0.00 -2.93 0.00 0.00 61.98 59.50 3ius s VAL 210 Cb -0.92 -0.34 -0.10 0.00 -1.53 0.00 0.00 36.38 33.50 3ius s VAL 210 CO 0.47 0.13 1.47 -2.84 -3.33 0.00 0.00 175.10 171.00 3ius s PRO 211 N 0.26 3.90 0.38 1.54 0.02 -1.26 -1.30 135.00 138.54 3ius s PRO 211 Ca -0.03 2.53 0.06 0.00 0.02 0.00 0.00 61.00 63.59 3ius s PRO 211 Cb -0.06 -2.82 0.77 0.00 0.02 0.00 0.00 34.50 32.40 3ius s PRO 211 CO -0.00 -0.69 1.98 -1.00 -0.33 0.00 0.00 177.00 176.96 3ius h PRO 212 N 2.67 0.50 0.00 5.54 0.13 -1.89 -1.53 132.00 137.43 3ius h PRO 212 Ca -0.51 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 3ius h PRO 212 Cb 1.25 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ius h PRO 212 CO 0.63 0.42 -0.12 -0.56 -0.23 0.00 0.00 178.00 178.14 3ius h GLN 213 N 0.50 0.00 -0.07 0.86 -0.00 -1.90 -2.66 115.11 111.84 3ius h GLN 213 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.56 3ius h GLN 213 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3ius h GLN 213 CO -0.01 0.12 -0.83 -0.44 -0.00 0.00 0.00 178.83 177.67 3ius h ASP 214 N 0.00 0.69 -0.50 0.06 5.19 -1.64 -1.41 116.42 118.80 3ius h ASP 214 Ca -0.00 -0.49 -0.06 0.00 -0.62 0.00 0.00 57.03 55.86 3ius h ASP 214 Cb 0.27 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3ius h ASP 214 CO 0.02 1.27 0.06 0.58 -3.12 0.00 0.00 179.24 178.05 3ius h VAL 215 N 0.36 1.25 -0.66 -1.35 2.07 -1.42 -1.00 116.25 115.50 3ius h VAL 215 Ca -0.06 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 3ius h VAL 215 Cb 1.45 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3ius h VAL 215 CO 0.15 0.34 0.18 0.40 0.02 0.00 0.00 177.57 178.66 3ius h ILE 216 N 0.72 1.26 -0.16 4.57 2.04 -1.42 -1.19 117.51 123.33 3ius h ILE 216 Ca 0.15 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3ius h ILE 216 Cb 0.42 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3ius h ILE 216 CO 0.01 0.35 -0.06 0.00 0.00 0.00 0.00 178.15 178.45 3ius h ALA 217 N 1.07 0.22 -0.70 1.87 0.00 -1.16 -2.14 119.26 118.43 3ius h ALA 217 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ius h ALA 217 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3ius h ALA 217 CO -0.00 0.01 0.31 -0.92 0.00 0.00 0.00 179.25 178.65 3ius h TYR 218 N 0.01 1.01 -0.38 0.00 3.20 -1.11 -1.17 116.97 118.53 3ius h TYR 218 Ca 0.04 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 3ius h TYR 218 Cb 0.53 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3ius h TYR 218 CO 0.06 0.75 0.06 0.00 -1.64 0.00 0.00 178.16 177.40 3ius h ALA 219 N 1.34 0.50 -0.20 1.82 0.00 -1.16 -1.19 119.26 120.37 3ius h ALA 219 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ius h ALA 219 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ius h ALA 219 CO -0.03 0.21 0.12 0.00 0.00 0.00 0.00 179.25 179.55 3ius h ALA 220 N 0.92 0.25 -0.43 0.00 0.00 -1.07 -2.46 119.26 116.48 3ius h ALA 220 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ius h ALA 220 Cb 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3ius h ALA 220 CO 0.01 -0.29 0.20 1.49 0.00 0.00 0.00 179.25 180.66 3ius h GLU 221 N 0.25 0.39 0.00 0.00 4.81 -1.07 0.18 114.58 119.14 3ius h GLU 221 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ius h GLU 221 Cb -0.01 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ius h GLU 221 CO -0.03 0.25 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.38 3ius h LEU 222 N 0.40 0.00 -1.87 1.64 3.38 -1.02 -1.79 115.31 116.05 3ius h LEU 222 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ius h LEU 222 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ius h LEU 222 CO -0.15 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.44 3ius n GLN 223 N -4.35 2.24 -1.01 1.13 6.02 -0.83 -4.93 117.38 115.64 3ius n GLN 223 Ca -0.03 -1.85 -0.00 0.00 -0.01 0.00 0.00 57.00 55.11 3ius n GLN 223 Cb 0.14 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 3ius n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ius n GLY 224 N 1.37 0.32 3.86 1.08 0.00 -0.67 -4.99 105.19 106.15 3ius n GLY 224 Ca 0.18 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3ius n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ius s LEU 225 N -0.09 3.57 0.51 0.99 1.43 -0.03 -4.99 118.68 120.08 3ius s LEU 225 Ca 0.00 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.25 3ius s LEU 225 Cb 0.00 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.84 3ius s LEU 225 CO 0.00 -0.62 1.19 -2.16 0.23 0.00 0.00 176.35 174.99 3ius s PRO 226 N -4.38 3.45 0.04 1.29 0.04 -1.26 -4.27 135.00 129.92 3ius s PRO 226 Ca 0.55 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 3ius s PRO 226 Cb -0.10 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3ius s PRO 226 CO 0.39 -0.81 1.89 -1.17 0.04 0.00 0.00 177.00 177.33 3ius s LEU 227 N -3.45 4.41 0.75 -3.56 2.96 -1.26 -4.92 118.68 113.60 3ius s LEU 227 Ca 0.69 2.63 -0.14 0.00 -0.22 0.00 0.00 54.13 57.09 3ius s LEU 227 Cb -0.29 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.91 3ius s LEU 227 CO 0.34 -1.02 1.18 -2.84 -1.32 0.00 0.00 176.35 172.68 3ius s PRO 228 N 3.97 2.10 0.53 0.98 0.02 -1.26 -4.99 135.00 136.35 3ius s PRO 228 Ca 0.84 1.63 -0.20 0.00 0.02 0.00 0.00 61.00 63.30 3ius s PRO 228 Cb -0.42 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.19 3ius s PRO 228 CO 0.39 -1.83 1.10 -1.25 -0.33 0.00 0.00 177.00 175.07 3ius s PRO 229 N -4.10 3.51 -0.01 5.54 0.04 -1.26 -4.62 135.00 134.09 3ius s PRO 229 Ca 0.71 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 63.26 3ius s PRO 229 Cb -0.26 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3ius s PRO 229 CO 0.47 -0.70 0.05 0.00 0.04 0.00 0.00 177.00 176.86 3ius s ALA 230 N -1.87 3.47 -0.02 8.56 0.00 -1.26 -0.55 121.76 130.10 3ius s ALA 230 Ca 0.71 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3ius s ALA 230 Cb -0.21 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.42 3ius s ALA 230 CO 0.25 0.67 -0.01 0.54 0.00 0.00 0.00 175.76 177.20 3ius s VAL 231 N -1.13 0.20 0.29 0.00 0.11 -0.41 -4.95 120.40 114.51 3ius s VAL 231 Ca 0.21 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 3ius s VAL 231 Cb -0.12 -0.25 -0.12 0.00 -1.53 0.00 0.00 36.38 34.36 3ius s VAL 231 CO 0.11 0.12 1.44 0.47 -3.33 0.00 0.00 175.10 173.91 3ius n ASP 232 N 3.71 3.17 -0.26 3.54 8.00 -1.26 -1.52 116.55 131.93 3ius n ASP 232 Ca -0.22 1.16 0.05 0.00 0.71 0.00 0.00 54.79 56.50 3ius n ASP 232 Cb 0.53 -1.50 0.17 0.00 -0.02 0.00 0.00 41.12 40.30 3ius n ASP 232 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3ius h PHE 233 N 3.92 0.02 0.00 1.24 3.04 -1.35 -0.83 116.94 122.97 3ius h PHE 233 Ca -0.46 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.54 3ius h PHE 233 Cb 1.26 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.88 3ius h PHE 233 CO 0.55 -0.22 0.00 -0.40 -2.02 0.00 0.00 178.31 176.23 3ius n ASP 234 N -5.31 0.00 -0.08 0.41 5.75 -1.26 -0.77 116.55 115.29 3ius n ASP 234 Ca 0.14 -0.60 0.01 0.00 -0.01 0.00 0.00 54.79 54.33 3ius n ASP 234 Cb 0.48 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.57 3ius n ASP 234 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ius n LYS 235 N -1.02 2.11 -2.56 0.11 4.01 -0.35 -5.05 118.16 115.41 3ius n LYS 235 Ca 0.15 -1.35 -0.35 0.00 -0.51 0.00 0.00 58.31 56.25 3ius n LYS 235 Cb 0.08 -1.04 -0.04 0.00 -0.51 0.00 0.00 35.03 33.52 3ius n LYS 235 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ius s ALA 236 N -0.80 2.99 -0.63 7.82 0.00 0.05 -4.95 121.76 126.25 3ius s ALA 236 Ca 0.03 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3ius s ALA 236 Cb 0.02 -3.26 0.16 0.00 0.00 0.00 0.00 23.12 20.04 3ius s ALA 236 CO 0.02 -0.24 0.55 0.34 0.00 0.00 0.00 175.76 176.44 3ius s ASP 237 N -1.79 6.20 0.22 0.00 2.15 -1.26 -5.05 116.67 117.14 3ius s ASP 237 Ca 0.62 -2.21 0.11 0.00 0.43 0.00 0.00 52.55 51.50 3ius s ASP 237 Cb -0.19 -2.14 -0.05 0.00 -0.30 0.00 0.00 42.92 40.25 3ius s ASP 237 CO 0.23 -0.69 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.61 3ius s LEU 238 N 0.93 2.69 0.66 -1.34 1.43 -1.26 -5.14 118.68 116.65 3ius s LEU 238 Ca 0.10 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3ius s LEU 238 Cb -0.22 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3ius s LEU 238 CO -0.02 0.08 1.06 0.42 0.23 0.00 0.00 176.35 178.12 3ius s THR 239 N -1.97 4.12 -0.53 5.49 -4.23 -1.26 -4.85 115.64 112.41 3ius s THR 239 Ca 0.25 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 3ius s THR 239 Cb -0.07 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.09 3ius s THR 239 CO 0.14 -0.89 0.00 -2.65 -0.54 0.00 0.00 174.62 170.67 3ius n PRO 240 N -2.86 0.00 0.00 3.99 -0.02 -1.26 -0.59 135.00 134.25 3ius n PRO 240 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3ius n PRO 240 Cb 0.56 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 3ius n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ius n ALA 242 N 0.45 0.00 0.01 3.55 0.00 -1.26 -1.00 120.51 122.26 3ius n ALA 242 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3ius n ALA 242 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 3ius n ALA 242 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ius h ARG 243 N 0.00 0.35 -0.23 0.00 2.43 -1.18 -1.62 114.38 114.13 3ius h ARG 243 Ca 0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3ius h ARG 243 Cb 0.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3ius h ARG 243 CO 0.00 0.23 -0.46 1.03 -1.51 0.00 0.00 179.97 179.26 3ius h SER 244 N 0.36 0.63 -0.31 -3.80 0.87 -1.30 -2.21 113.55 107.79 3ius h SER 244 Ca 0.18 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 3ius h SER 244 Cb 0.27 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3ius h SER 244 CO -0.04 0.99 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.93 3ius h PHE 245 N 0.47 0.75 0.00 2.24 0.04 -1.58 -2.69 116.94 116.16 3ius h PHE 245 Ca 0.03 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3ius h PHE 245 Cb 0.98 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.93 3ius h PHE 245 CO 0.04 0.74 0.00 0.66 -0.60 0.00 0.00 178.31 179.15 3ius n TYR 246 N -4.20 0.00 1.09 -0.55 4.01 -0.83 -3.33 117.16 113.34 3ius n TYR 246 Ca 0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.90 3ius n TYR 246 Cb 0.32 -0.44 0.65 0.00 -0.31 0.00 0.00 39.34 39.55 3ius n TYR 246 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ius n SER 247 N -1.44 0.01 -4.11 7.72 3.41 -0.85 -4.77 113.62 113.58 3ius n SER 247 Ca 0.08 0.36 -0.20 0.00 -0.26 0.00 0.00 58.87 58.85 3ius n SER 247 Cb 0.27 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 3ius n SER 247 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ius s GLU 248 N -2.91 0.93 -0.03 4.33 2.02 -1.21 -4.84 118.70 116.98 3ius s GLU 248 Ca 0.17 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 3ius s GLU 248 Cb 0.19 -0.91 0.03 0.00 0.10 0.00 0.00 34.13 33.55 3ius s GLU 248 CO 0.52 0.23 0.06 1.21 0.02 0.00 0.00 175.26 177.30 3ius s ASN 249 N -0.77 0.51 0.18 -0.19 2.47 -1.26 -4.95 114.94 110.94 3ius s ASN 249 Ca 0.02 0.09 -0.24 0.00 0.42 0.00 0.00 52.86 53.16 3ius s ASN 249 Cb -0.06 -0.06 0.05 0.00 -1.45 0.00 0.00 41.25 39.73 3ius s ASN 249 CO 0.00 -0.18 0.80 -1.59 -3.72 0.00 0.00 177.10 172.41 3ius s LYS 250 N 1.58 1.38 -0.05 0.43 0.00 -1.26 -1.23 119.74 120.58 3ius s LYS 250 Ca -0.03 -0.70 0.06 0.00 0.00 0.00 0.00 55.97 55.31 3ius s LYS 250 Cb -0.12 0.51 -0.01 0.00 0.00 0.00 0.00 37.83 38.21 3ius s LYS 250 CO -0.03 -0.62 -0.25 1.03 0.00 0.00 0.00 175.35 175.48 3ius s ARG 251 N -3.58 2.46 -0.20 1.78 0.52 -0.52 -4.81 118.95 114.60 3ius s ARG 251 Ca 0.09 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3ius s ARG 251 Cb -0.03 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.33 3ius s ARG 251 CO -0.00 0.40 -0.12 0.08 0.02 0.00 0.00 175.30 175.67 3ius s VAL 252 N -0.21 2.66 0.41 3.52 1.01 -1.26 -0.17 120.40 126.36 3ius s VAL 252 Ca -0.02 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 3ius s VAL 252 Cb -0.13 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 3ius s VAL 252 CO 0.03 0.45 1.23 -0.13 0.00 0.00 0.00 175.10 176.68 3ius s ARG 253 N 1.37 3.98 -0.18 2.72 1.81 -0.54 -4.93 118.95 123.17 3ius s ARG 253 Ca 0.05 1.98 0.13 0.00 -1.72 0.00 0.00 55.73 56.16 3ius s ARG 253 Cb -0.14 -2.68 0.40 0.00 -0.45 0.00 0.00 34.95 32.08 3ius s ARG 253 CO -0.08 -0.43 1.21 0.27 -0.68 0.00 0.00 175.30 175.59 3ius n ASN 254 N 0.04 1.68 -0.07 0.23 0.23 -1.26 -4.67 115.26 111.44 3ius n ASN 254 Ca 0.04 -3.63 -0.02 0.00 -0.53 0.00 0.00 54.58 50.44 3ius n ASN 254 Cb 0.45 -0.50 0.23 0.00 -2.08 0.00 0.00 39.78 37.88 3ius n ASN 254 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3ius h ASP 255 N 0.90 0.66 -0.44 0.53 3.32 -1.93 -3.20 116.42 116.26 3ius h ASP 255 Ca -0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3ius h ASP 255 Cb 1.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3ius h ASP 255 CO 0.01 0.70 0.23 -0.09 -1.72 0.00 0.00 179.24 178.37 3ius h ARG 256 N 0.67 0.61 -0.07 3.56 2.43 -1.91 0.82 114.38 120.49 3ius h ARG 256 Ca 0.14 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3ius h ARG 256 Cb 0.35 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3ius h ARG 256 CO 0.01 0.50 -0.12 -0.84 -1.51 0.00 0.00 179.97 178.01 3ius h ILE 257 N 0.57 1.13 0.00 1.20 3.07 -1.83 0.46 117.51 122.11 3ius h ILE 257 Ca 0.15 -0.57 -0.00 0.00 1.55 0.00 0.00 64.86 65.99 3ius h ILE 257 Cb 0.07 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 3ius h ILE 257 CO -0.02 0.17 -0.00 0.11 -1.05 0.00 0.00 178.15 177.36 3ius h LYS 258 N 0.10 -0.01 0.01 0.16 1.57 -1.49 -2.10 116.57 114.82 3ius h LYS 258 Ca 0.02 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 3ius h LYS 258 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3ius h LYS 258 CO 0.02 0.79 -0.93 0.93 -0.57 0.00 0.00 179.45 179.68 3ius h GLU 259 N -0.98 0.05 0.02 3.15 5.08 -0.75 -2.36 114.58 118.77 3ius h GLU 259 Ca -0.00 -0.06 -0.39 0.00 -1.00 0.00 0.00 59.36 57.90 3ius h GLU 259 Cb 0.80 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 3ius h GLU 259 CO 0.00 0.94 -2.40 0.39 -1.00 0.00 0.00 179.01 176.94 3ius n GLU 260 N -3.49 0.65 0.00 2.33 1.02 0.14 -4.53 120.64 116.76 3ius n GLU 260 Ca -0.01 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 3ius n GLU 260 Cb 0.87 -1.55 0.23 0.00 -0.02 0.00 0.00 31.44 30.97 3ius n GLU 260 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ius n LEU 261 N -3.47 0.88 -1.55 -4.62 4.77 -1.15 -4.97 117.00 106.90 3ius n LEU 261 Ca -0.45 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.17 3ius n LEU 261 Cb 0.97 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 3ius n LEU 261 CO 0.25 0.19 -0.17 0.61 -1.33 0.00 0.00 177.39 176.93 3ius n GLY 262 N 1.43 -0.12 3.74 -0.72 0.00 -0.89 -4.89 105.19 103.74 3ius n GLY 262 Ca 0.08 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3ius n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ius s VAL 263 N -2.68 4.43 -0.26 1.61 1.01 -0.80 -4.99 120.40 118.72 3ius s VAL 263 Ca 0.00 2.00 0.01 0.00 0.00 0.00 0.00 61.98 63.98 3ius s VAL 263 Cb 0.00 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3ius s VAL 263 CO 0.00 0.37 -0.08 -0.60 0.00 0.00 0.00 175.10 174.79 3ius s ARG 264 N -0.33 2.50 0.28 2.72 3.52 -1.26 -4.36 118.95 122.02 3ius s ARG 264 Ca 0.44 -1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 3ius s ARG 264 Cb -0.23 -2.94 -0.12 0.00 -1.56 0.00 0.00 34.95 30.10 3ius s ARG 264 CO 0.29 -0.50 1.60 1.28 -0.81 0.00 0.00 175.30 177.16 3ius n LEU 265 N 4.55 4.25 -0.07 -0.88 4.77 -1.26 -4.89 117.00 123.48 3ius n LEU 265 Ca -0.15 1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.87 3ius n LEU 265 Cb 0.44 -1.58 0.06 0.00 -2.33 0.00 0.00 43.42 40.01 3ius n LEU 265 CO 0.24 0.12 0.61 0.11 -1.33 0.00 0.00 177.39 177.14 3ius h LYS 266 N 4.96 0.75 -2.83 3.23 1.57 -1.96 -3.38 116.57 118.91 3ius h LYS 266 Ca -0.46 -0.37 -0.61 0.00 -1.87 0.00 0.00 60.65 57.34 3ius h LYS 266 Cb 1.23 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 3ius h LYS 266 CO 0.81 0.98 -0.76 0.71 -0.57 0.00 0.00 179.45 180.62 3ius s TYR 267 N -4.39 2.19 0.18 -1.35 2.02 -1.26 -4.97 117.35 109.76 3ius s TYR 267 Ca -0.09 -2.67 0.33 0.00 -0.37 0.00 0.00 57.07 54.27 3ius s TYR 267 Cb 0.12 -1.84 1.71 0.00 -0.40 0.00 0.00 41.96 41.56 3ius s TYR 267 CO 0.85 -0.72 2.01 -1.35 -1.57 0.00 0.00 175.55 174.77 3ius h PRO 268 N 5.99 0.00 -3.55 -1.71 0.11 -1.98 -3.45 132.00 127.42 3ius h PRO 268 Ca 0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 3ius h PRO 268 Cb 0.87 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.85 3ius h PRO 268 CO 0.52 0.00 -0.16 0.54 -0.21 0.00 0.00 178.00 178.69 3ius s ASN 269 N -4.76 -0.12 0.56 -2.05 2.20 -1.26 -0.69 114.94 108.83 3ius s ASN 269 Ca -0.02 -0.52 0.26 0.00 -0.94 0.00 0.00 52.86 51.64 3ius s ASN 269 Cb 0.10 0.46 1.64 0.00 -2.00 0.00 0.00 41.25 41.45 3ius s ASN 269 CO 0.36 -0.87 2.21 0.10 -2.94 0.00 0.00 177.10 175.96 3ius h TYR 270 N 2.44 0.00 0.05 1.54 -0.00 -1.86 -2.05 116.97 117.10 3ius h TYR 270 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.40 3ius h TYR 270 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 3ius h TYR 270 CO 0.36 0.01 -0.03 0.00 -0.00 0.00 0.00 178.16 178.51 3ius h ARG 271 N 0.00 -0.07 -0.01 0.10 3.08 -1.97 0.43 114.38 115.94 3ius h ARG 271 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3ius h ARG 271 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ius h ARG 271 CO 0.00 0.46 -0.36 -0.39 -1.07 0.00 0.00 179.97 178.61 3ius h VAL 272 N -0.65 1.26 0.52 2.04 -1.51 -1.90 0.17 116.25 116.18 3ius h VAL 272 Ca -0.01 -1.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.19 3ius h VAL 272 Cb 0.56 1.66 0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3ius h VAL 272 CO 0.01 0.36 -0.25 1.23 -1.23 0.00 0.00 177.57 177.69 3ius h GLY 273 N 1.09 -0.73 1.74 5.19 0.00 -1.37 -2.47 103.07 106.51 3ius h GLY 273 Ca -0.00 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3ius h GLY 273 CO 0.05 -0.27 -0.01 1.41 0.00 0.00 0.00 176.54 177.72 3ius h LEU 274 N -0.85 0.30 -0.62 3.11 3.38 -0.60 -2.38 115.31 117.66 3ius h LEU 274 Ca -0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3ius h LEU 274 Cb 0.59 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3ius h LEU 274 CO 0.12 0.37 -0.00 -0.33 0.09 0.00 0.00 178.44 178.68 3ius h GLU 275 N 0.32 1.08 -0.30 1.13 5.08 -0.98 0.13 114.58 121.05 3ius h GLU 275 Ca 0.07 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 3ius h GLU 275 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3ius h GLU 275 CO 0.01 1.05 -0.28 0.00 -1.00 0.00 0.00 179.01 178.78 3ius h ALA 276 N 1.00 0.94 -0.19 3.43 0.00 -1.12 -0.46 119.26 122.86 3ius h ALA 276 Ca 0.17 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3ius h ALA 276 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ius h ALA 276 CO 0.03 0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 179.72 3ius h LEU 277 N 0.53 0.43 -0.90 0.00 3.38 -1.16 -2.79 115.31 114.79 3ius h LEU 277 Ca 0.07 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3ius h LEU 277 Cb 0.76 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3ius h LEU 277 CO 0.06 0.75 0.51 -0.61 0.09 0.00 0.00 178.44 179.24 3ius h GLN 278 N 0.10 1.25 0.00 1.13 5.75 -0.86 -2.65 115.11 119.83 3ius h GLN 278 Ca 0.04 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3ius h GLN 278 Cb 0.59 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 3ius h GLN 278 CO 0.03 0.90 -0.15 0.00 -2.65 0.00 0.00 178.83 176.96 3ius h ALA 279 N 1.28 1.39 0.00 3.38 0.00 -1.01 0.20 119.26 124.49 3ius h ALA 279 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ius h ALA 279 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ius h ALA 279 CO -0.05 0.19 -0.53 -0.44 0.00 0.00 0.00 179.25 178.42 3ius h ASP 280 N 0.00 0.00 -0.00 0.00 3.32 -1.20 -3.29 116.42 115.24 3ius h ASP 280 Ca -0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ius h ASP 280 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3ius h ASP 280 CO 0.02 0.08 -0.78 0.00 -1.72 0.00 0.00 179.24 176.84 3ius n ALA 281 N -1.84 4.23 0.08 3.45 0.00 -0.61 -4.66 120.51 121.17 3ius n ALA 281 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 3ius n ALA 281 Cb 0.44 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3ius n ALA 281 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ius h GLU 282 N 0.59 -0.26 0.00 0.00 4.57 -1.07 -3.51 114.58 114.90 3ius h GLU 282 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3ius h GLU 282 Cb 0.52 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3ius h GLU 282 CO 0.00 0.13 0.00 2.41 -1.18 0.00 0.00 179.01 180.37