#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpi s GLU 3 N 0.00 4.60 0.26 0.38 2.12 -1.26 -4.88 118.70 119.91 3hpi s GLU 3 Ca 0.00 1.21 -0.29 0.00 0.36 0.00 0.00 54.97 56.25 3hpi s GLU 3 Cb 0.00 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.98 3hpi s GLU 3 CO 0.00 0.39 0.95 -2.00 -0.54 0.00 0.00 175.26 174.06 3hpi s GLU 4 N -0.54 4.80 0.00 4.30 2.12 -1.26 -3.74 118.70 124.38 3hpi s GLU 4 Ca 0.39 1.48 0.00 0.00 0.36 0.00 0.00 54.97 57.20 3hpi s GLU 4 Cb -0.22 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3hpi s GLU 4 CO 0.26 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.85 3hpi n GLY 5 N 1.31 0.92 3.40 -1.50 0.00 -1.26 -5.07 105.19 102.99 3hpi n GLY 5 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3hpi n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpi s LYS 6 N -0.80 1.21 -0.15 1.61 -2.85 -1.25 -4.41 119.74 113.11 3hpi s LYS 6 Ca 0.00 -0.71 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 3hpi s LYS 6 Cb 0.00 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 3hpi s LYS 6 CO 0.00 -0.50 -0.22 -0.51 0.10 0.00 0.00 175.35 174.23 3hpi s LEU 7 N -2.81 2.11 -0.16 2.77 1.43 -0.33 -4.88 118.68 116.81 3hpi s LEU 7 Ca 0.05 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3hpi s LEU 7 Cb 0.00 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3hpi s LEU 7 CO -0.09 0.06 -0.03 -0.69 0.23 0.00 0.00 176.35 175.83 3hpi s VAL 8 N 0.93 3.91 0.04 -1.59 1.01 -1.26 -0.21 120.40 123.23 3hpi s VAL 8 Ca -0.04 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3hpi s VAL 8 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3hpi s VAL 8 CO -0.05 0.48 -0.21 -0.63 0.00 0.00 0.00 175.10 174.70 3hpi s ILE 9 N 0.45 1.67 -0.05 2.22 1.01 0.57 -0.73 121.20 126.34 3hpi s ILE 9 Ca -0.03 -1.16 0.07 0.00 0.00 0.00 0.00 60.65 59.52 3hpi s ILE 9 Cb -0.14 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3hpi s ILE 9 CO 0.03 0.24 -0.25 0.26 0.00 0.00 0.00 174.94 175.22 3hpi s TRP 10 N -0.76 2.41 -0.00 3.97 0.52 -0.52 -0.91 118.94 123.65 3hpi s TRP 10 Ca 0.08 -0.62 -0.12 0.00 0.02 0.00 0.00 56.10 55.46 3hpi s TRP 10 Cb -0.09 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3hpi s TRP 10 CO 0.01 -0.15 0.24 -1.50 0.02 0.00 0.00 176.95 175.57 3hpi s ILE 11 N -0.31 0.07 0.17 2.03 2.07 -0.76 -0.09 121.20 124.38 3hpi s ILE 11 Ca 0.01 -0.58 -0.33 0.00 -1.41 0.00 0.00 60.65 58.34 3hpi s ILE 11 Cb -0.13 -0.56 -0.12 0.00 0.13 0.00 0.00 42.46 41.78 3hpi s ILE 11 CO 0.02 -0.32 1.71 -3.20 -1.91 0.00 0.00 174.94 171.24 3hpi n ASN 12 N 1.30 3.73 0.34 4.50 2.85 -1.23 -4.17 115.26 122.57 3hpi n ASN 12 Ca -0.22 1.05 0.18 0.00 -0.11 0.00 0.00 54.58 55.48 3hpi n ASN 12 Cb 0.56 -1.52 0.94 0.00 1.24 0.00 0.00 39.78 41.00 3hpi n ASN 12 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3hpi h GLY 13 N 6.88 0.00 1.97 8.20 0.00 -1.87 -1.58 103.07 116.67 3hpi h GLY 13 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3hpi h GLY 13 CO 0.94 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 178.47 3hpi h LEU 14 N 0.00 0.03-10.80 3.11 3.38 -1.98 -3.46 115.31 105.60 3hpi h LEU 14 Ca 0.00 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 3hpi h LEU 14 Cb 0.46 -0.01 0.13 0.00 0.09 0.00 0.00 40.66 41.34 3hpi h LEU 14 CO 0.00 0.45 0.28 -0.36 0.09 0.00 0.00 178.44 178.89 3hpi s PHE 15 N -4.09 1.41 -1.32 1.13 0.08 -0.60 -4.88 117.98 109.71 3hpi s PHE 15 Ca -0.03 -0.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.84 3hpi s PHE 15 Cb 0.14 -3.62 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 3hpi s PHE 15 CO 0.74 -2.30 2.13 0.41 -0.10 0.00 0.00 175.22 176.09 3hpi n GLY 16 N -3.37 3.87 0.22 4.36 0.00 -1.26 -4.71 105.19 104.31 3hpi n GLY 16 Ca 0.16 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.71 3hpi n GLY 16 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3hpi h TYR 17 N 6.54 0.07 -0.14 1.61 -0.00 -1.88 -0.50 116.97 122.67 3hpi h TYR 17 Ca 0.53 -0.01 -0.16 0.00 0.00 0.00 0.00 58.73 59.09 3hpi h TYR 17 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.38 3hpi h TYR 17 CO 1.42 0.28 -0.58 -0.91 -0.00 0.00 0.00 178.16 178.37 3hpi h ASN 18 N 0.06 0.50 0.09 0.10 -0.26 -1.97 -0.69 115.58 113.40 3hpi h ASN 18 Ca 0.01 -0.28 -0.13 0.00 -0.56 0.00 0.00 56.30 55.34 3hpi h ASN 18 Cb 0.43 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3hpi h ASN 18 CO 0.03 0.97 -0.45 1.23 -1.06 0.00 0.00 177.43 178.16 3hpi h GLY 19 N 1.19 0.47 1.99 2.83 0.00 -1.60 -2.19 103.07 105.77 3hpi h GLY 19 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3hpi h GLY 19 CO 0.10 0.44 -0.55 -2.00 0.00 0.00 0.00 176.54 174.54 3hpi h LEU 20 N 0.35 0.01 -0.80 3.11 5.85 -0.85 -2.74 115.31 120.24 3hpi h LEU 20 Ca 0.02 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hpi h LEU 20 Cb 0.93 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3hpi h LEU 20 CO 0.08 0.55 -0.43 0.00 -0.34 0.00 0.00 178.44 178.30 3hpi h ALA 21 N 1.45 0.97 -0.72 1.25 0.00 -0.68 -2.11 119.26 119.41 3hpi h ALA 21 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3hpi h ALA 21 Cb 0.97 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3hpi h ALA 21 CO 0.07 0.63 0.30 1.49 0.00 0.00 0.00 179.25 181.74 3hpi h GLU 22 N 0.30 1.06 -0.48 0.00 4.81 -1.11 0.41 114.58 119.58 3hpi h GLU 22 Ca 0.02 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 3hpi h GLU 22 Cb 0.89 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3hpi h GLU 22 CO 0.07 0.85 -0.05 0.28 -0.73 0.00 0.00 179.01 179.43 3hpi h VAL 23 N 1.04 1.27 -0.40 0.32 2.07 -1.37 -2.29 116.25 116.88 3hpi h VAL 23 Ca 0.24 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3hpi h VAL 23 Cb 0.18 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3hpi h VAL 23 CO -0.02 0.40 0.27 1.23 0.02 0.00 0.00 177.57 179.46 3hpi h GLY 24 N 0.73 0.54 1.34 2.17 0.00 -0.66 -1.31 103.07 105.87 3hpi h GLY 24 Ca 0.13 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 3hpi h GLY 24 CO 0.03 0.19 -0.52 0.50 0.00 0.00 0.00 176.54 176.75 3hpi h LYS 25 N 0.51 0.70 -0.57 4.80 1.57 -0.46 -0.85 116.57 122.27 3hpi h LYS 25 Ca 0.15 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 3hpi h LYS 25 Cb -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3hpi h LYS 25 CO -0.03 1.05 0.05 -0.22 -0.57 0.00 0.00 179.45 179.73 3hpi h LYS 26 N 0.55 0.94 -0.12 3.15 3.64 -0.86 0.30 116.57 124.17 3hpi h LYS 26 Ca 0.02 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3hpi h LYS 26 Cb 1.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3hpi h LYS 26 CO 0.11 0.89 0.07 0.35 -2.27 0.00 0.00 179.45 178.59 3hpi h PHE 27 N 0.88 0.16 -0.40 1.91 3.57 -1.04 -1.16 116.94 120.86 3hpi h PHE 27 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hpi h PHE 27 Cb 0.44 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3hpi h PHE 27 CO 0.03 0.17 0.26 1.49 -2.23 0.00 0.00 178.31 178.03 3hpi h GLU 28 N 0.10 0.51 -0.16 1.11 4.81 -0.78 0.71 114.58 120.87 3hpi h GLU 28 Ca 0.04 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hpi h GLU 28 Cb 0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3hpi h GLU 28 CO -0.01 0.34 -0.06 0.87 -0.73 0.00 0.00 179.01 179.42 3hpi h LYS 29 N 0.52 -0.04 -0.22 1.92 1.57 -0.76 1.44 116.57 121.02 3hpi h LYS 29 Ca 0.15 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 3hpi h LYS 29 Cb -0.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hpi h LYS 29 CO -0.05 -0.02 -0.55 -0.44 -0.57 0.00 0.00 179.45 177.82 3hpi h ASP 30 N -0.04 0.73 0.00 0.86 5.19 -0.90 -3.38 116.42 118.88 3hpi h ASP 30 Ca 0.08 -0.39 -0.21 0.00 -0.62 0.00 0.00 57.03 55.90 3hpi h ASP 30 Cb 0.16 -0.21 -0.04 0.00 0.18 0.00 0.00 39.33 39.42 3hpi h ASP 30 CO -0.18 1.13 -1.89 1.07 -3.12 0.00 0.00 179.24 176.24 3hpi n THR 31 N -3.97 0.78 -0.21 0.35 5.66 0.24 -5.01 114.28 112.13 3hpi n THR 31 Ca -0.03 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3hpi n THR 31 Cb 0.61 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 3hpi n THR 31 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hpi n GLY 32 N 2.08 0.76 3.72 1.09 0.00 0.49 -5.01 105.19 108.33 3hpi n GLY 32 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3hpi n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpi s ILE 33 N -2.52 5.14 -0.02 -0.61 1.09 -1.25 -4.98 121.20 118.03 3hpi s ILE 33 Ca 0.00 1.10 -0.30 0.00 -1.10 0.00 0.00 60.65 60.35 3hpi s ILE 33 Cb 0.00 -3.89 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 3hpi s ILE 33 CO 0.00 0.29 1.04 -0.54 -0.10 0.00 0.00 174.94 175.63 3hpi s LYS 34 N 0.77 4.48 -0.22 2.79 1.02 -1.26 -3.59 119.74 123.73 3hpi s LYS 34 Ca 0.29 1.49 -0.03 0.00 0.02 0.00 0.00 55.97 57.75 3hpi s LYS 34 Cb -0.16 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3hpi s LYS 34 CO 0.12 -0.19 -0.07 0.08 -0.92 0.00 0.00 175.35 174.38 3hpi s VAL 35 N 1.39 3.07 -0.24 3.17 1.01 -1.26 -1.18 120.40 126.36 3hpi s VAL 35 Ca 0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 3hpi s VAL 35 Cb -0.22 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3hpi s VAL 35 CO 0.25 0.39 0.02 -0.89 0.00 0.00 0.00 175.10 174.87 3hpi s THR 36 N 1.42 3.91 -0.26 3.92 2.01 0.71 -4.83 115.64 122.52 3hpi s THR 36 Ca 0.04 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 3hpi s THR 36 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3hpi s THR 36 CO -0.05 0.37 0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 3hpi s VAL 37 N 1.56 4.86 0.15 3.82 1.01 -1.26 -0.32 120.40 130.22 3hpi s VAL 37 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3hpi s VAL 37 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3hpi s VAL 37 CO 0.01 0.31 -0.19 -1.61 0.00 0.00 0.00 175.10 173.62 3hpi s GLU 38 N 1.54 1.24 -0.54 2.72 2.02 -0.09 -4.98 118.70 120.62 3hpi s GLU 38 Ca 0.06 -1.35 0.07 0.00 0.02 0.00 0.00 54.97 53.77 3hpi s GLU 38 Cb -0.15 -1.34 0.30 0.00 0.10 0.00 0.00 34.13 33.03 3hpi s GLU 38 CO 0.07 0.28 0.78 -2.39 0.02 0.00 0.00 175.26 174.01 3hpi n HIS 39 N 0.47 2.59 -1.62 1.61 1.44 -1.26 -1.83 115.22 116.62 3hpi n HIS 39 Ca -0.15 -3.95 -0.38 0.00 -2.01 0.00 0.00 57.72 51.23 3hpi n HIS 39 Cb 0.56 -0.48 0.05 0.00 0.12 0.00 0.00 29.99 30.24 3hpi n HIS 39 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3hpi n PRO 40 N 0.48 0.96 -2.11 -1.40 -0.04 -1.26 -4.59 135.00 127.03 3hpi n PRO 40 Ca 0.28 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 3hpi n PRO 40 Cb 0.46 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 3hpi n PRO 40 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hpi s ASP 41 N -1.21 6.78 -1.43 3.54 2.15 -1.26 -2.82 116.67 122.43 3hpi s ASP 41 Ca 0.75 2.57 -0.02 0.00 0.43 0.00 0.00 52.55 56.28 3hpi s ASP 41 Cb -0.42 -2.62 0.02 0.00 -0.30 0.00 0.00 42.92 39.59 3hpi s ASP 41 CO 0.48 -0.60 0.49 0.29 -0.17 0.00 0.00 175.17 175.66 3hpi n LYS 42 N 2.11 -3.50 0.26 4.34 5.02 -1.26 -4.78 118.16 120.35 3hpi n LYS 42 Ca 0.05 0.43 0.09 0.00 -2.02 0.00 0.00 58.31 56.85 3hpi n LYS 42 Cb 0.42 -4.66 0.65 0.00 -0.02 0.00 0.00 35.03 31.42 3hpi n LYS 42 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 3hpi h LEU 43 N -1.82 0.00 -1.82 -0.35 -0.00 -1.90 -1.43 115.31 108.00 3hpi h LEU 43 Ca -0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.23 3hpi h LEU 43 Cb 1.37 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.03 3hpi h LEU 43 CO 0.63 0.06 -0.14 1.05 -0.00 0.00 0.00 178.44 180.05 3hpi h GLU 44 N 0.00 0.00 0.00 0.17 9.09 -1.89 -0.21 114.58 121.74 3hpi h GLU 44 Ca -0.00 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.09 3hpi h GLU 44 Cb 0.12 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.16 3hpi h GLU 44 CO 0.01 0.14 -2.15 0.39 0.05 0.00 0.00 179.01 177.45 3hpi n GLU 45 N -3.69 0.67 -0.03 1.06 1.02 -0.75 -4.42 120.64 114.50 3hpi n GLU 45 Ca -0.02 0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 3hpi n GLU 45 Cb 0.26 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.98 3hpi n GLU 45 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3hpi h LYS 46 N 0.00 0.13 -0.63 3.49 3.64 -0.97 -3.31 116.57 118.92 3hpi h LYS 46 Ca -0.43 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 3hpi h LYS 46 Cb 2.08 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 33.79 3hpi h LYS 46 CO 0.04 0.63 -0.19 0.35 -2.27 0.00 0.00 179.45 178.01 3hpi h PHE 47 N -0.36 -0.44 -0.32 1.91 3.57 -1.26 -1.57 116.94 118.48 3hpi h PHE 47 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3hpi h PHE 47 Cb 0.61 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 3hpi h PHE 47 CO 0.11 -0.30 0.03 -1.35 -2.23 0.00 0.00 178.31 174.57 3hpi h PRO 48 N -0.03 0.12 0.46 6.41 0.11 -1.77 0.18 132.00 137.48 3hpi h PRO 48 Ca 0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3hpi h PRO 48 Cb 0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3hpi h PRO 48 CO -0.66 0.08 -0.45 1.96 -0.21 0.00 0.00 178.00 178.72 3hpi h GLN 49 N 0.13 -0.88 -0.22 1.05 4.20 -1.40 -2.14 115.11 115.85 3hpi h GLN 49 Ca 0.15 0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3hpi h GLN 49 Cb 0.19 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3hpi h GLN 49 CO -0.23 -0.59 -0.05 -0.39 -0.67 0.00 0.00 178.83 176.89 3hpi h VAL 50 N -0.92 1.29 -0.05 -0.54 -1.51 -1.30 -3.09 116.25 110.13 3hpi h VAL 50 Ca -0.05 -1.05 0.01 0.00 -1.23 0.00 0.00 66.70 64.39 3hpi h VAL 50 Cb 0.80 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3hpi h VAL 50 CO -0.06 0.32 0.05 0.00 -1.23 0.00 0.00 177.57 176.65 3hpi h ALA 51 N 0.74 1.61 0.00 5.19 0.00 -0.65 -0.56 119.26 125.59 3hpi h ALA 51 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hpi h ALA 51 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hpi h ALA 51 CO 0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.09 3hpi h ALA 52 N 1.94 1.06 -0.01 0.00 0.00 -1.29 -2.57 119.26 118.39 3hpi h ALA 52 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hpi h ALA 52 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hpi h ALA 52 CO -0.00 0.13 -0.43 0.25 0.00 0.00 0.00 179.25 179.19 3hpi n THR 53 N -3.30 0.00 0.00 0.00 -2.24 -0.23 -4.95 114.28 103.55 3hpi n THR 53 Ca -0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3hpi n THR 53 Cb 0.32 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3hpi n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpi n GLY 54 N 1.40 1.12 0.00 3.38 0.00 -0.97 -5.10 105.19 105.02 3hpi n GLY 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hpi n GLY 54 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hpi n ASP 55 N 0.00 0.29 0.00 1.61 5.68 -1.17 -4.64 116.55 118.32 3hpi n ASP 55 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3hpi n ASP 55 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3hpi n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hpi n GLY 56 N 3.20 -1.77 3.87 6.12 0.00 -1.26 -3.52 105.19 111.83 3hpi n GLY 56 Ca 0.00 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 3hpi n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hpi s PRO 57 N 0.00 2.20 0.21 1.61 0.04 -1.26 -4.67 135.00 133.13 3hpi s PRO 57 Ca 0.00 0.32 0.14 0.00 0.04 0.00 0.00 61.00 61.50 3hpi s PRO 57 Cb 0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3hpi s PRO 57 CO 0.00 -1.47 1.30 -0.44 0.04 0.00 0.00 177.00 176.43 3hpi h ASP 58 N -0.97 0.00 -3.63 6.66 5.19 -1.31 -3.40 116.42 118.96 3hpi h ASP 58 Ca -0.46 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.62 3hpi h ASP 58 Cb 1.30 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.49 3hpi h ASP 58 CO 0.64 0.61 -0.75 -0.63 -3.12 0.00 0.00 179.24 175.99 3hpi s ILE 59 N -2.90 0.24 -0.12 0.35 1.01 -1.09 -1.57 121.20 117.11 3hpi s ILE 59 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3hpi s ILE 59 Cb 0.08 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.28 3hpi s ILE 59 CO 0.77 0.12 -0.23 -0.51 0.00 0.00 0.00 174.94 175.10 3hpi s ILE 60 N 0.59 2.05 -0.24 2.92 1.10 0.01 -1.45 121.20 126.19 3hpi s ILE 60 Ca -0.06 -0.99 -0.07 0.00 -0.51 0.00 0.00 60.65 59.01 3hpi s ILE 60 Cb -0.09 -1.80 -0.03 0.00 0.15 0.00 0.00 42.46 40.69 3hpi s ILE 60 CO -0.01 0.55 0.07 -0.36 -2.11 0.00 0.00 174.94 173.08 3hpi s PHE 61 N 0.61 3.10 0.07 3.50 0.40 0.87 -0.76 117.98 125.78 3hpi s PHE 61 Ca -0.12 -0.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.58 3hpi s PHE 61 Cb -0.17 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.23 3hpi s PHE 61 CO 0.03 -0.30 0.97 -0.47 0.70 0.00 0.00 175.22 176.15 3hpi s TYR 62 N 1.47 -0.20 0.53 0.36 5.04 -0.52 -3.57 117.35 120.47 3hpi s TYR 62 Ca 0.06 -0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.45 3hpi s TYR 62 Cb -0.15 0.59 -0.06 0.00 0.35 0.00 0.00 41.96 42.69 3hpi s TYR 62 CO 0.04 -0.66 1.16 0.00 -1.34 0.00 0.00 175.55 174.74 3hpi n ALA 63 N -0.38 0.85 0.30 3.97 0.00 -1.26 -0.60 120.51 123.39 3hpi n ALA 63 Ca -0.07 0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.67 3hpi n ALA 63 Cb 0.61 -2.22 0.97 0.00 0.00 0.00 0.00 19.45 18.82 3hpi n ALA 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3hpi h HIS 64 N 1.21 0.00 0.00 0.00 2.07 -1.36 -3.16 115.15 113.91 3hpi h HIS 64 Ca -0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.03 3hpi h HIS 64 Cb 1.33 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 3hpi h HIS 64 CO 0.43 0.03 -0.04 0.38 -3.07 0.00 0.00 177.93 175.65 3hpi h ASP 65 N 0.00 0.00 1.62 3.10 2.03 -1.87 -2.42 116.42 118.88 3hpi h ASP 65 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hpi h ASP 65 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 3hpi h ASP 65 CO 0.00 0.04 -0.31 0.03 -1.03 0.00 0.00 179.24 177.98 3hpi h ARG 66 N 0.00 0.00 -0.02 4.15 2.47 -1.85 -3.38 114.38 115.75 3hpi h ARG 66 Ca -0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 3hpi h ARG 66 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3hpi h ARG 66 CO 0.01 0.00 -0.40 0.74 0.56 0.00 0.00 179.97 180.87 3hpi h PHE 67 N 0.00 0.05 -0.72 3.04 -1.00 -1.63 -3.03 116.94 113.65 3hpi h PHE 67 Ca 0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3hpi h PHE 67 Cb 0.96 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 3hpi h PHE 67 CO 0.00 0.44 0.41 0.78 -1.61 0.00 0.00 178.31 178.33 3hpi h GLY 68 N 1.22 1.07 0.92 -1.45 0.00 -1.56 -0.10 103.07 103.17 3hpi h GLY 68 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.88 3hpi h GLY 68 CO 0.05 0.45 0.42 -1.33 0.00 0.00 0.00 176.54 176.13 3hpi h GLY 69 N 0.99 0.94 0.92 4.60 0.00 -1.65 -1.10 103.07 107.77 3hpi h GLY 69 Ca 0.26 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3hpi h GLY 69 CO -0.04 0.29 -0.01 -0.97 0.00 0.00 0.00 176.54 175.80 3hpi h TYR 70 N 0.83 0.70 -0.36 5.60 0.05 -1.38 -2.94 116.97 119.47 3hpi h TYR 70 Ca 0.26 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.92 3hpi h TYR 70 Cb -0.02 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 3hpi h TYR 70 CO -0.04 0.75 0.23 0.00 -1.05 0.00 0.00 178.16 178.04 3hpi h ALA 71 N 0.86 0.45 -0.60 3.88 0.00 -0.76 -1.25 119.26 121.84 3hpi h ALA 71 Ca 0.10 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3hpi h ALA 71 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hpi h ALA 71 CO 0.02 -0.11 0.41 0.37 0.00 0.00 0.00 179.25 179.94 3hpi h GLN 72 N 0.46 0.26 -0.24 0.00 4.15 -1.14 0.23 115.11 118.84 3hpi h GLN 72 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3hpi h GLN 72 Cb -0.03 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3hpi h GLN 72 CO -0.04 0.17 0.00 0.43 -1.93 0.00 0.00 178.83 177.46 3hpi n SER 73 N -4.45 1.52 -2.28 -0.69 7.64 -0.74 -4.92 113.62 109.70 3hpi n SER 73 Ca 0.11 -1.87 -0.18 0.00 1.01 0.00 0.00 58.87 57.93 3hpi n SER 73 Cb 0.48 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 3hpi n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hpi n GLY 74 N 1.01 -0.36 0.15 0.23 0.00 0.81 -4.90 105.19 102.12 3hpi n GLY 74 Ca 0.12 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3hpi n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hpi n LEU 75 N -2.95 1.03 -4.36 0.99 4.77 -0.55 -4.76 117.00 111.17 3hpi n LEU 75 Ca -0.17 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.17 3hpi n LEU 75 Cb 0.64 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 3hpi n LEU 75 CO 0.31 0.22 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.31 3hpi s LEU 76 N -2.78 2.35 0.35 2.23 1.43 -1.26 -0.79 118.68 120.20 3hpi s LEU 76 Ca 0.15 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 3hpi s LEU 76 Cb 0.18 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 3hpi s LEU 76 CO 0.68 0.29 0.88 0.00 0.23 0.00 0.00 176.35 178.43 3hpi s ALA 77 N -0.44 3.20 -0.03 4.21 0.00 -0.13 -4.69 121.76 123.88 3hpi s ALA 77 Ca 0.05 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 3hpi s ALA 77 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3hpi s ALA 77 CO 0.01 0.21 1.09 -2.00 0.00 0.00 0.00 175.76 175.07 3hpi s GLU 78 N -2.60 4.44 0.38 0.00 2.12 -1.26 -4.63 118.70 117.15 3hpi s GLU 78 Ca 0.54 1.56 -0.24 0.00 0.36 0.00 0.00 54.97 57.19 3hpi s GLU 78 Cb -0.13 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.67 3hpi s GLU 78 CO 0.18 -0.27 0.97 0.96 -0.54 0.00 0.00 175.26 176.57 3hpi s ILE 79 N 1.59 4.17 -0.50 -3.70 -4.36 -0.97 -5.01 121.20 112.43 3hpi s ILE 79 Ca 0.54 1.58 0.04 0.00 -0.26 0.00 0.00 60.65 62.54 3hpi s ILE 79 Cb -0.23 -3.77 0.42 0.00 1.25 0.00 0.00 42.46 40.12 3hpi s ILE 79 CO 0.24 -0.07 1.35 0.35 0.24 0.00 0.00 174.94 177.04 3hpi n THR 80 N -0.08 2.70 -2.18 8.37 -2.24 -1.26 -4.78 114.28 114.81 3hpi n THR 80 Ca 0.05 -4.58 -0.41 0.00 -2.27 0.00 0.00 64.05 56.83 3hpi n THR 80 Cb 0.52 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 3hpi n THR 80 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3hpi s PRO 81 N -3.67 4.38 0.70 -0.78 0.04 -1.26 -5.02 135.00 129.40 3hpi s PRO 81 Ca 0.50 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 3hpi s PRO 81 Cb 0.42 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.84 3hpi s PRO 81 CO -0.18 -0.21 1.07 0.16 0.04 0.00 0.00 177.00 177.88 3hpi s ASP 82 N -0.04 5.28 0.28 6.66 1.47 -1.26 -4.80 116.67 124.26 3hpi s ASP 82 Ca 0.53 0.96 0.03 0.00 1.18 0.00 0.00 52.55 55.26 3hpi s ASP 82 Cb -0.38 -1.73 0.66 0.00 -0.34 0.00 0.00 42.92 41.13 3hpi s ASP 82 CO 0.44 -1.41 1.75 0.50 0.68 0.00 0.00 175.17 177.13 3hpi h LYS 83 N -0.64 0.59 -0.66 2.11 1.63 -1.99 -0.64 116.57 116.97 3hpi h LYS 83 Ca -0.45 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.29 3hpi h LYS 83 Cb 1.27 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.74 3hpi h LYS 83 CO 0.63 0.39 0.32 0.00 -3.45 0.00 0.00 179.45 177.35 3hpi h ALA 84 N 1.63 1.33 0.04 5.00 0.00 -1.99 -1.55 119.26 123.72 3hpi h ALA 84 Ca 0.53 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 3hpi h ALA 84 Cb 0.86 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hpi h ALA 84 CO -0.42 0.53 -0.78 0.35 0.00 0.00 0.00 179.25 178.93 3hpi h PHE 85 N 0.93 0.71 -0.86 0.00 3.04 -1.62 -3.25 116.94 115.89 3hpi h PHE 85 Ca 0.23 -0.41 0.09 0.00 3.98 0.00 0.00 57.97 61.86 3hpi h PHE 85 Cb 0.08 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.46 3hpi h PHE 85 CO 0.01 1.25 0.56 1.96 -2.02 0.00 0.00 178.31 180.07 3hpi h GLN 86 N -0.04 0.82 0.00 1.11 4.20 -0.96 0.46 115.11 120.70 3hpi h GLN 86 Ca -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3hpi h GLN 86 Cb 1.49 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.09 3hpi h GLN 86 CO 0.15 0.54 0.00 -0.25 -0.67 0.00 0.00 178.83 178.60 3hpi n ASP 87 N -4.52 0.47 0.01 1.46 8.00 -0.60 -2.19 116.55 119.17 3hpi n ASP 87 Ca 0.14 0.64 0.13 0.00 0.71 0.00 0.00 54.79 56.41 3hpi n ASP 87 Cb 0.30 -0.73 0.45 0.00 -0.02 0.00 0.00 41.12 41.12 3hpi n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hpi n LYS 88 N -2.05 0.02 -5.16 -1.24 5.02 0.15 -4.81 118.16 110.09 3hpi n LYS 88 Ca 0.02 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 3hpi n LYS 88 Cb 0.16 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 33.50 3hpi n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hpi s LEU 89 N -3.09 2.07 0.06 -0.35 1.43 -0.93 -1.85 118.68 116.01 3hpi s LEU 89 Ca 0.12 -0.47 -0.36 0.00 -1.03 0.00 0.00 54.13 52.40 3hpi s LEU 89 Cb 0.18 -1.26 -0.15 0.00 0.03 0.00 0.00 46.19 44.99 3hpi s LEU 89 CO 0.60 0.29 1.52 -1.22 0.23 0.00 0.00 176.35 177.77 3hpi n TYR 90 N 2.36 1.92 0.01 0.29 4.01 -0.97 -4.86 117.16 119.92 3hpi n TYR 90 Ca -0.16 0.43 0.20 0.00 -0.16 0.00 0.00 57.90 58.22 3hpi n TYR 90 Cb 0.52 -2.45 0.70 0.00 -0.31 0.00 0.00 39.34 37.79 3hpi n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hpi h PRO 91 N 5.76 0.00 0.00 -0.72 0.13 -1.94 -1.11 132.00 134.12 3hpi h PRO 91 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3hpi h PRO 91 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3hpi h PRO 91 CO 0.85 0.00 -0.13 0.27 -0.23 0.00 0.00 178.00 178.76 3hpi h PHE 92 N 0.00 0.00 0.00 1.56 -0.00 -2.01 -1.98 116.94 114.51 3hpi h PHE 92 Ca 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 57.97 58.06 3hpi h PHE 92 Cb 1.03 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.95 3hpi h PHE 92 CO 0.00 0.13 -0.77 1.79 -0.00 0.00 0.00 178.31 179.46 3hpi h THR 93 N 0.00 1.39 -0.34 0.88 1.35 -1.56 -3.12 112.91 111.51 3hpi h THR 93 Ca -0.00 -2.78 -0.15 0.00 -0.55 0.00 0.00 66.41 62.93 3hpi h THR 93 Cb 0.59 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 3hpi h THR 93 CO 0.02 0.75 -0.38 -0.50 -0.25 0.00 0.00 175.52 175.16 3hpi h TRP 94 N 0.00 0.96 -0.02 4.73 4.06 -1.34 -2.75 115.95 121.59 3hpi h TRP 94 Ca -0.01 -0.28 -0.03 0.00 2.06 0.00 0.00 58.89 60.63 3hpi h TRP 94 Cb 1.50 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.45 3hpi h TRP 94 CO 0.00 1.06 -0.14 -0.44 -3.56 0.00 0.00 178.44 175.36 3hpi h ASP 95 N 0.67 0.03 0.31 -3.49 3.32 -1.42 -2.37 116.42 113.46 3hpi h ASP 95 Ca 0.06 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3hpi h ASP 95 Cb 0.94 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 3hpi h ASP 95 CO 0.09 0.17 -0.12 0.00 -1.72 0.00 0.00 179.24 177.66 3hpi h ALA 96 N 1.83 1.35 -0.24 3.45 0.00 -1.43 -2.75 119.26 121.49 3hpi h ALA 96 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hpi h ALA 96 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hpi h ALA 96 CO 0.02 0.15 -0.03 1.33 0.00 0.00 0.00 179.25 180.71 3hpi n VAL 97 N -3.74 2.29 -3.60 0.00 0.24 -0.91 -4.87 118.33 107.74 3hpi n VAL 97 Ca -0.02 -2.21 -0.36 0.00 -2.04 0.00 0.00 64.34 59.71 3hpi n VAL 97 Cb 0.22 -0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.25 3hpi n VAL 97 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hpi s ARG 98 N -2.96 4.17 -0.06 7.34 3.52 -1.04 -1.49 118.95 128.42 3hpi s ARG 98 Ca 0.41 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 56.01 3hpi s ARG 98 Cb 0.35 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3hpi s ARG 98 CO 0.05 0.31 0.04 -0.47 -0.81 0.00 0.00 175.30 174.42 3hpi s TYR 99 N 0.28 0.32 -1.24 5.12 5.04 0.19 -4.83 117.35 122.22 3hpi s TYR 99 Ca 0.15 0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.75 3hpi s TYR 99 Cb -0.13 -0.62 0.01 0.00 0.35 0.00 0.00 41.96 41.57 3hpi s TYR 99 CO 0.03 -0.27 1.08 0.09 -1.34 0.00 0.00 175.55 175.14 3hpi n ASN 100 N 5.24 -5.59 0.00 4.32 4.13 -1.26 -1.70 115.26 120.40 3hpi n ASN 100 Ca -0.05 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.70 3hpi n ASN 100 Cb 0.50 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 3hpi n ASN 100 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hpi n GLY 101 N -1.81 0.47 3.24 7.41 0.00 -1.26 -5.00 105.19 108.24 3hpi n GLY 101 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3hpi n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpi s LYS 102 N -0.54 1.42 -0.19 1.61 1.02 -0.69 -5.11 119.74 117.27 3hpi s LYS 102 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3hpi s LYS 102 Cb 0.00 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.82 3hpi s LYS 102 CO 0.00 0.39 1.03 -0.51 -0.92 0.00 0.00 175.35 175.34 3hpi s LEU 103 N -1.02 4.14 0.00 3.17 1.43 -1.26 0.57 118.68 125.71 3hpi s LEU 103 Ca 0.07 1.43 0.13 0.00 -1.03 0.00 0.00 54.13 54.73 3hpi s LEU 103 Cb -0.09 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.77 3hpi s LEU 103 CO 0.01 -0.60 1.03 2.30 0.23 0.00 0.00 176.35 179.32 3hpi n ILE 104 N 5.09 0.29 -3.63 -0.59 -5.35 -0.56 -2.28 119.36 112.33 3hpi n ILE 104 Ca 0.11 -0.65 -0.03 0.00 -0.27 0.00 0.00 62.75 61.91 3hpi n ILE 104 Cb 0.47 1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 39.40 3hpi n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hpi s ALA 105 N -1.08 -1.94 -0.20 -1.28 0.00 -1.26 -4.48 121.76 111.52 3hpi s ALA 105 Ca 0.19 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 3hpi s ALA 105 Cb 0.12 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3hpi s ALA 105 CO 0.17 -0.89 0.23 0.71 0.00 0.00 0.00 175.76 175.99 3hpi s TYR 106 N -2.83 3.38 0.36 0.00 1.51 0.23 -4.87 117.35 115.13 3hpi s TYR 106 Ca 0.11 0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 56.32 3hpi s TYR 106 Cb 0.01 -2.32 -0.09 0.00 -0.11 0.00 0.00 41.96 39.45 3hpi s TYR 106 CO -0.03 0.14 1.12 -2.14 -1.11 0.00 0.00 175.55 173.53 3hpi s PRO 107 N 0.81 4.30 -0.03 -1.71 0.02 -1.26 -0.93 135.00 136.19 3hpi s PRO 107 Ca 0.12 1.77 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 3hpi s PRO 107 Cb -0.13 -2.84 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 3hpi s PRO 107 CO 0.04 -0.09 -0.04 -0.89 -0.33 0.00 0.00 177.00 175.68 3hpi n ILE 108 N 0.46 0.26 -3.61 2.83 2.08 0.75 -4.78 119.36 117.34 3hpi n ILE 108 Ca 0.02 -0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.20 3hpi n ILE 108 Cb 0.46 -1.55 -0.05 0.00 -0.75 0.00 0.00 39.64 37.75 3hpi n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hpi s ALA 109 N -2.06 -1.12 -0.12 -1.39 0.00 -1.13 -1.06 121.76 114.88 3hpi s ALA 109 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3hpi s ALA 109 Cb 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 3hpi s ALA 109 CO 0.06 -0.56 -0.12 0.08 0.00 0.00 0.00 175.76 175.22 3hpi s VAL 110 N -2.99 3.13 0.06 0.00 1.01 0.81 -0.47 120.40 121.95 3hpi s VAL 110 Ca -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3hpi s VAL 110 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3hpi s VAL 110 CO -0.06 0.53 0.07 -0.72 0.00 0.00 0.00 175.10 174.92 3hpi s TYR 111 N 0.16 0.34 0.14 5.22 -0.85 -0.37 -1.32 117.35 120.67 3hpi s TYR 111 Ca -0.07 -0.81 -0.19 0.00 -0.52 0.00 0.00 57.07 55.49 3hpi s TYR 111 Cb -0.15 -0.23 0.05 0.00 0.38 0.00 0.00 41.96 42.01 3hpi s TYR 111 CO 0.05 -0.43 0.48 0.00 -1.52 0.00 0.00 175.55 174.13 3hpi s ALA 112 N -3.68 -1.18 0.37 9.51 0.00 -1.26 -1.34 121.76 124.17 3hpi s ALA 112 Ca 0.04 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.90 3hpi s ALA 112 Cb 0.05 0.78 -0.10 0.00 0.00 0.00 0.00 23.12 23.85 3hpi s ALA 112 CO -0.09 -0.70 0.96 -0.51 0.00 0.00 0.00 175.76 175.42 3hpi s LEU 113 N -2.79 4.19 0.21 0.00 1.43 -1.26 -4.53 118.68 115.93 3hpi s LEU 113 Ca 0.03 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 3hpi s LEU 113 Cb 0.01 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 3hpi s LEU 113 CO -0.12 -0.23 -0.01 -0.44 0.23 0.00 0.00 176.35 175.79 3hpi s SER 114 N -1.77 1.66 -0.14 2.29 0.01 -0.73 -4.84 113.70 110.18 3hpi s SER 114 Ca 0.55 -1.20 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 3hpi s SER 114 Cb -0.16 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3hpi s SER 114 CO 0.21 -0.52 0.74 -0.22 0.41 0.00 0.00 173.24 173.87 3hpi s LEU 115 N -3.26 4.21 -0.13 2.44 2.96 -0.42 -2.66 118.68 121.81 3hpi s LEU 115 Ca 0.27 1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3hpi s LEU 115 Cb 0.06 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 3hpi s LEU 115 CO 0.07 -0.28 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.09 3hpi s ILE 116 N 1.65 3.32 0.04 6.68 1.01 0.24 -0.64 121.20 133.51 3hpi s ILE 116 Ca 0.36 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3hpi s ILE 116 Cb -0.17 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3hpi s ILE 116 CO 0.14 0.52 -0.08 -0.72 0.00 0.00 0.00 174.94 174.80 3hpi s TYR 117 N 0.30 0.67 -0.61 3.97 1.13 -0.81 -0.72 117.35 121.29 3hpi s TYR 117 Ca -0.08 -0.49 -0.27 0.00 -1.41 0.00 0.00 57.07 54.82 3hpi s TYR 117 Cb -0.15 -0.40 0.03 0.00 -1.10 0.00 0.00 41.96 40.34 3hpi s TYR 117 CO 0.05 -0.08 1.16 1.21 -2.51 0.00 0.00 175.55 175.38 3hpi s ASN 118 N -1.54 6.37 0.53 -0.18 3.84 0.47 -1.24 114.94 123.19 3hpi s ASN 118 Ca -0.10 -0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.13 3hpi s ASN 118 Cb -0.10 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.49 3hpi s ASN 118 CO 0.00 -1.50 1.98 0.11 -2.79 0.00 0.00 177.10 174.90 3hpi h LYS 119 N 9.59 0.00 0.00 0.43 1.57 -0.99 0.17 116.57 127.35 3hpi h LYS 119 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3hpi h LYS 119 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3hpi h LYS 119 CO 1.19 0.00 -0.43 -0.44 -0.57 0.00 0.00 179.45 179.20 3hpi h ASP 120 N 0.00 0.00 0.20 0.86 3.32 -1.91 -3.07 116.42 115.81 3hpi h ASP 120 Ca 0.27 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 57.05 3hpi h ASP 120 Cb 1.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 3hpi h ASP 120 CO -0.00 0.02 -2.04 0.18 -1.72 0.00 0.00 179.24 175.68 3hpi n LEU 121 N -2.71 0.27 -3.26 1.55 4.77 -0.34 -4.79 117.00 112.49 3hpi n LEU 121 Ca 0.03 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 3hpi n LEU 121 Cb 0.51 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.81 3hpi n LEU 121 CO 0.36 0.31 -0.14 -0.22 -1.33 0.00 0.00 177.39 176.36 3hpi s LEU 122 N -5.41 0.05 0.42 2.23 2.96 0.46 -5.02 118.68 114.37 3hpi s LEU 122 Ca -0.08 -2.00 0.15 0.00 -0.22 0.00 0.00 54.13 51.98 3hpi s LEU 122 Cb 0.08 0.57 1.03 0.00 0.50 0.00 0.00 46.19 48.37 3hpi s LEU 122 CO 0.84 -0.19 1.91 1.55 -1.32 0.00 0.00 176.35 179.14 3hpi h PRO 123 N 6.29 0.43 -3.93 0.98 0.13 -1.76 -3.34 132.00 130.80 3hpi h PRO 123 Ca 0.11 -0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.58 3hpi h PRO 123 Cb 1.03 -0.10 -0.40 0.00 0.13 0.00 0.00 31.00 31.66 3hpi h PRO 123 CO 0.21 0.29 -0.70 -0.80 -0.23 0.00 0.00 178.00 176.76 3hpi s ASN 124 N -5.91 4.39 0.62 1.44 0.01 -1.26 -5.00 114.94 109.23 3hpi s ASN 124 Ca -0.08 -2.40 -0.19 0.00 -0.71 0.00 0.00 52.86 49.48 3hpi s ASN 124 Cb 0.21 -1.45 -0.03 0.00 0.41 0.00 0.00 41.25 40.39 3hpi s ASN 124 CO 0.77 -0.33 1.16 -0.81 -1.51 0.00 0.00 177.10 176.38 3hpi n PRO 125 N 3.90 1.08 -2.00 -0.60 -0.04 -1.25 -4.94 135.00 131.15 3hpi n PRO 125 Ca 0.04 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 3hpi n PRO 125 Cb 0.38 -2.38 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 3hpi n PRO 125 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3hpi s PRO 126 N -3.05 4.26 0.04 0.54 0.02 -1.26 -4.93 135.00 130.62 3hpi s PRO 126 Ca 0.79 2.34 0.24 0.00 0.02 0.00 0.00 61.00 64.38 3hpi s PRO 126 Cb -0.40 -3.06 0.23 0.00 0.02 0.00 0.00 34.50 31.30 3hpi s PRO 126 CO 0.44 -0.36 1.20 1.63 -0.33 0.00 0.00 177.00 179.58 3hpi n LYS 127 N 1.29 0.15 -4.22 5.54 4.01 -1.26 -4.62 118.16 119.05 3hpi n LYS 127 Ca 0.03 0.01 -0.19 0.00 -0.51 0.00 0.00 58.31 57.65 3hpi n LYS 127 Cb 0.40 -1.56 -0.12 0.00 -0.51 0.00 0.00 35.03 33.25 3hpi n LYS 127 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3hpi s THR 128 N -3.10 1.28 0.16 -0.18 -1.32 -1.26 -0.19 115.64 111.03 3hpi s THR 128 Ca 0.07 -1.55 -0.06 0.00 -1.21 0.00 0.00 61.69 58.94 3hpi s THR 128 Cb 0.16 -1.36 -0.08 0.00 -1.51 0.00 0.00 72.50 69.71 3hpi s THR 128 CO 0.76 -0.31 1.46 -0.50 -2.21 0.00 0.00 174.62 173.81 3hpi h TRP 129 N 3.86 0.84 -0.89 9.09 4.06 -1.04 -3.23 115.95 128.64 3hpi h TRP 129 Ca -0.41 -0.31 0.19 0.00 2.06 0.00 0.00 58.89 60.42 3hpi h TRP 129 Cb 1.19 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 29.13 3hpi h TRP 129 CO 0.64 1.08 0.58 0.93 -3.56 0.00 0.00 178.44 178.11 3hpi h GLU 130 N 0.50 0.46 -0.00 0.49 3.07 -1.97 -1.62 114.58 115.51 3hpi h GLU 130 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3hpi h GLU 130 Cb 1.15 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3hpi h GLU 130 CO 0.11 0.30 -0.04 -0.85 -1.40 0.00 0.00 179.01 177.13 3hpi n GLU 131 N -4.53 0.86 -0.16 2.33 0.28 -1.22 -4.07 120.64 114.13 3hpi n GLU 131 Ca 0.19 -0.21 -0.11 0.00 -0.16 0.00 0.00 57.16 56.86 3hpi n GLU 131 Cb 0.63 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.00 3hpi n GLU 131 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3hpi h ILE 132 N 0.52 1.27 0.01 3.84 2.04 -1.44 -2.28 117.51 121.46 3hpi h ILE 132 Ca 0.00 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.63 3hpi h ILE 132 Cb 0.25 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3hpi h ILE 132 CO 0.00 0.43 -0.24 -0.65 0.00 0.00 0.00 178.15 177.70 3hpi h PRO 133 N 0.74 -0.36 -0.90 2.37 0.11 -1.76 0.44 132.00 132.63 3hpi h PRO 133 Ca 0.11 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.28 3hpi h PRO 133 Cb 0.68 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 3hpi h PRO 133 CO 0.05 -0.24 0.58 0.00 -0.21 0.00 0.00 178.00 178.18 3hpi h ALA 134 N 0.46 1.17 -0.44 -0.75 0.00 -1.82 -1.05 119.26 116.84 3hpi h ALA 134 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hpi h ALA 134 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hpi h ALA 134 CO -0.20 0.46 0.08 1.25 0.00 0.00 0.00 179.25 180.83 3hpi h LEU 135 N 1.15 0.62 -0.15 0.00 5.85 -0.75 -2.28 115.31 119.74 3hpi h LEU 135 Ca 0.35 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3hpi h LEU 135 Cb -0.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3hpi h LEU 135 CO -0.11 0.64 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.85 3hpi h ASP 136 N 0.65 0.28 -0.75 1.25 3.58 0.11 -1.55 116.42 119.98 3hpi h ASP 136 Ca 0.14 -0.32 0.09 0.00 0.42 0.00 0.00 57.03 57.36 3hpi h ASP 136 Cb 0.29 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.19 3hpi h ASP 136 CO 0.00 0.53 0.40 0.50 -2.88 0.00 0.00 179.24 177.80 3hpi h LYS 137 N 0.01 0.67 -0.78 0.28 3.64 -1.16 0.12 116.57 119.34 3hpi h LYS 137 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3hpi h LYS 137 Cb 0.40 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3hpi h LYS 137 CO 0.01 0.44 0.43 1.49 -2.27 0.00 0.00 179.45 179.55 3hpi h GLU 138 N 0.69 1.09 0.00 1.90 4.81 -1.21 -1.83 114.58 120.03 3hpi h GLU 138 Ca 0.36 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3hpi h GLU 138 Cb 0.35 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hpi h GLU 138 CO -0.25 0.81 0.00 -0.07 -0.73 0.00 0.00 179.01 178.77 3hpi h LEU 139 N 1.09 0.00 -1.08 1.64 3.38 -0.25 -2.82 115.31 117.26 3hpi h LEU 139 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3hpi h LEU 139 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hpi h LEU 139 CO -0.04 0.00 -0.37 0.11 0.09 0.00 0.00 178.44 178.23 3hpi h LYS 140 N 0.00 0.00 -0.70 1.13 6.56 -0.12 -0.88 116.57 122.56 3hpi h LYS 140 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3hpi h LYS 140 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 3hpi h LYS 140 CO 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 179.45 177.76 3hpi n ALA 141 N -2.33 2.05 -1.61 3.86 0.00 -1.07 -1.29 120.51 120.12 3hpi n ALA 141 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hpi n ALA 141 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hpi n ALA 141 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hpi n LYS 142 N 0.15 0.00 -1.31 0.00 5.02 -0.98 -4.99 118.16 116.05 3hpi n LYS 142 Ca 0.00 -0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 55.83 3hpi n LYS 142 Cb 0.17 -0.27 -0.05 0.00 -0.02 0.00 0.00 35.03 34.86 3hpi n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hpi n GLY 143 N 0.00 1.19 3.59 0.72 0.00 -0.41 -5.01 105.19 105.27 3hpi n GLY 143 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3hpi n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpi s LYS 144 N -2.83 1.95 0.31 1.61 1.02 -0.37 -5.00 119.74 116.43 3hpi s LYS 144 Ca 0.00 -1.85 0.10 0.00 0.02 0.00 0.00 55.97 54.24 3hpi s LYS 144 Cb 0.00 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 3hpi s LYS 144 CO 0.00 0.13 -0.10 -1.54 -0.92 0.00 0.00 175.35 172.92 3hpi s SER 145 N -3.67 3.90 -0.14 2.83 1.04 -1.04 -2.64 113.70 113.98 3hpi s SER 145 Ca 0.34 -1.01 -0.28 0.00 0.48 0.00 0.00 55.95 55.48 3hpi s SER 145 Cb 0.02 -0.44 -0.26 0.00 0.10 0.00 0.00 66.02 65.43 3hpi s SER 145 CO 0.18 -0.09 0.74 0.00 0.98 0.00 0.00 173.24 175.05 3hpi h ALA 146 N 2.05 0.01 -3.25 5.32 0.00 -1.86 -1.65 119.26 119.89 3hpi h ALA 146 Ca -0.42 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 53.71 3hpi h ALA 146 Cb 1.25 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.80 3hpi h ALA 146 CO 0.64 0.07 -0.57 -1.17 0.00 0.00 0.00 179.25 178.22 3hpi s LEU 147 N -8.17 0.82 -0.04 0.00 2.96 -1.26 -0.41 118.68 112.57 3hpi s LEU 147 Ca -0.19 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3hpi s LEU 147 Cb -0.02 0.44 0.02 0.00 0.50 0.00 0.00 46.19 47.14 3hpi s LEU 147 CO 0.69 -0.13 -0.03 -0.04 -1.32 0.00 0.00 176.35 175.52 3hpi s MET 148 N 0.97 0.71 0.12 1.98 -1.94 -0.51 -4.89 119.30 115.74 3hpi s MET 148 Ca -0.07 -0.07 -0.20 0.00 -1.71 0.00 0.00 55.69 53.64 3hpi s MET 148 Cb -0.09 -0.75 0.05 0.00 2.01 0.00 0.00 34.83 36.05 3hpi s MET 148 CO -0.05 -0.09 0.50 -0.59 -0.01 0.00 0.00 175.02 174.78 3hpi s PHE 149 N 0.93 -0.38 -0.29 -0.03 -0.71 -1.26 -4.03 117.98 112.20 3hpi s PHE 149 Ca -0.11 0.18 -0.29 0.00 -1.04 0.00 0.00 56.93 55.68 3hpi s PHE 149 Cb -0.14 0.40 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 3hpi s PHE 149 CO -0.00 -0.75 2.26 -1.71 -1.34 0.00 0.00 175.22 173.68 3hpi n ASN 150 N -0.16 2.90 -0.41 1.98 5.15 -1.26 -4.71 115.26 118.75 3hpi n ASN 150 Ca -0.17 0.11 0.13 0.00 -0.60 0.00 0.00 54.58 54.05 3hpi n ASN 150 Cb 0.64 -1.51 0.35 0.00 -0.53 0.00 0.00 39.78 38.72 3hpi n ASN 150 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hpi n LEU 151 N 12.18 1.47 0.10 1.20 4.77 -0.96 -4.19 117.00 131.57 3hpi n LEU 151 Ca 0.33 -0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 3hpi n LEU 151 Cb 0.43 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3hpi n LEU 151 CO 0.69 0.26 0.29 1.56 -1.33 0.00 0.00 177.39 178.86 3hpi h GLN 152 N 2.02 0.00 -5.09 3.23 1.08 -1.88 -3.45 115.11 111.02 3hpi h GLN 152 Ca 0.00 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.55 3hpi h GLN 152 Cb 0.58 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.78 3hpi h GLN 152 CO 0.00 0.74 -0.67 -1.21 -0.95 0.00 0.00 178.83 176.74 3hpi s GLU 153 N -2.83 3.59 0.30 1.46 0.41 -1.26 -4.97 118.70 115.39 3hpi s GLU 153 Ca 0.02 -0.53 0.20 0.00 -0.41 0.00 0.00 54.97 54.25 3hpi s GLU 153 Cb 0.09 -3.09 1.08 0.00 -1.78 0.00 0.00 34.13 30.43 3hpi s GLU 153 CO 0.78 -0.03 1.60 -0.35 -0.49 0.00 0.00 175.26 176.77 3hpi n PRO 154 N 4.37 0.13 0.04 0.39 -0.04 -1.26 -1.65 135.00 136.98 3hpi n PRO 154 Ca -0.17 0.63 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 3hpi n PRO 154 Cb 0.52 -1.94 0.34 0.00 -0.04 0.00 0.00 33.50 32.38 3hpi n PRO 154 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3hpi h TYR 155 N 0.00 0.44 0.03 0.54 3.20 -1.94 0.59 116.97 119.83 3hpi h TYR 155 Ca 0.00 -0.04 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 3hpi h TYR 155 Cb 0.03 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3hpi h TYR 155 CO 0.00 0.46 -0.98 0.74 -1.64 0.00 0.00 178.16 176.74 3hpi h PHE 156 N 0.41 0.34 0.00 -3.82 0.04 -1.58 -3.33 116.94 108.99 3hpi h PHE 156 Ca 0.09 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3hpi h PHE 156 Cb 0.32 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.44 3hpi h PHE 156 CO 0.01 1.07 -1.28 0.25 -0.60 0.00 0.00 178.31 177.76 3hpi n THR 157 N -3.60 0.31 -0.07 -1.55 -2.24 -1.10 -4.43 114.28 101.60 3hpi n THR 157 Ca -0.05 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 3hpi n THR 157 Cb 0.88 -0.07 0.44 0.00 -2.10 0.00 0.00 70.33 69.48 3hpi n THR 157 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hpi h TRP 158 N 0.00 0.53 -0.95 4.78 2.91 -0.99 -2.74 115.95 119.48 3hpi h TRP 158 Ca 0.00 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.10 3hpi h TRP 158 Cb 0.91 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 29.32 3hpi h TRP 158 CO 0.00 0.29 0.62 -1.35 -1.03 0.00 0.00 178.44 176.97 3hpi h PRO 159 N 0.54 1.05 -0.08 2.65 0.11 -1.78 -1.14 132.00 133.34 3hpi h PRO 159 Ca 0.23 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3hpi h PRO 159 Cb 0.23 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3hpi h PRO 159 CO -0.06 0.69 -0.28 1.25 -0.21 0.00 0.00 178.00 179.39 3hpi h LEU 160 N 1.08 0.39 -1.01 2.35 5.85 -1.80 -2.09 115.31 120.08 3hpi h LEU 160 Ca 0.42 -0.62 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3hpi h LEU 160 Cb 0.22 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3hpi h LEU 160 CO -0.17 0.94 0.65 0.40 -0.34 0.00 0.00 178.44 179.92 3hpi h ILE 161 N -0.13 1.06 0.00 4.05 2.04 -1.34 -2.04 117.51 121.14 3hpi h ILE 161 Ca -0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3hpi h ILE 161 Cb 0.91 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3hpi h ILE 161 CO 0.06 0.21 -0.08 0.00 0.00 0.00 0.00 178.15 178.34 3hpi h ALA 162 N 1.47 0.95 -0.31 1.87 0.00 -1.28 -3.20 119.26 118.76 3hpi h ALA 162 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.41 3hpi h ALA 162 Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3hpi h ALA 162 CO -0.19 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.58 3hpi h ALA 163 N 2.48 -0.62 -0.20 0.00 0.00 -1.21 -2.01 119.26 117.69 3hpi h ALA 163 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hpi h ALA 163 Cb 0.76 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3hpi h ALA 163 CO 0.00 -0.96 0.00 -3.47 0.00 0.00 0.00 179.25 174.82 3hpi n ASP 164 N -5.41 1.17 0.00 0.00 2.03 -1.26 -4.77 116.55 108.31 3hpi n ASP 164 Ca -0.03 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.26 3hpi n ASP 164 Cb 0.36 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 3hpi n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hpi n GLY 165 N 0.76 0.04 3.82 0.27 0.00 -0.76 -4.04 105.19 105.27 3hpi n GLY 165 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3hpi n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hpi s GLY 166 N -0.15 2.20 0.14 -0.02 0.00 -1.18 -4.57 107.32 103.74 3hpi s GLY 166 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 3hpi s GLY 166 CO 0.00 0.66 0.78 -2.52 0.00 0.00 0.00 173.10 172.02 3hpi s TYR 167 N -2.40 -0.33 0.00 1.90 -0.85 -0.47 -4.38 117.35 110.82 3hpi s TYR 167 Ca 0.62 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.24 3hpi s TYR 167 Cb -0.13 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3hpi s TYR 167 CO 0.30 -0.84 0.00 0.00 -1.52 0.00 0.00 175.55 173.49 3hpi n ALA 168 N -0.38 0.00 -3.93 9.51 0.00 -1.26 -1.16 120.51 123.29 3hpi n ALA 168 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 3hpi n ALA 168 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 3hpi n ALA 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hpi s PHE 169 N 0.00 2.21 0.16 0.00 0.08 -1.26 -2.83 117.98 116.33 3hpi s PHE 169 Ca 0.00 -1.20 -0.31 0.00 0.12 0.00 0.00 56.93 55.54 3hpi s PHE 169 Cb 0.00 -1.60 -0.09 0.00 -0.57 0.00 0.00 43.02 40.76 3hpi s PHE 169 CO 0.00 -0.64 1.44 0.21 -0.10 0.00 0.00 175.22 176.13 3hpi s LYS 170 N 1.32 4.29 -0.43 0.44 2.20 -1.05 -4.73 119.74 121.79 3hpi s LYS 170 Ca 0.02 2.19 -0.21 0.00 -0.36 0.00 0.00 55.97 57.61 3hpi s LYS 170 Cb -0.13 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3hpi s LYS 170 CO -0.08 -0.46 0.65 -0.47 -0.36 0.00 0.00 175.35 174.62 3hpi s TYR 171 N 0.83 3.08 -0.10 4.03 5.04 -1.26 -0.54 117.35 128.41 3hpi s TYR 171 Ca 0.64 0.01 -0.18 0.00 -2.44 0.00 0.00 57.07 55.11 3hpi s TYR 171 Cb -0.39 -3.32 0.04 0.00 0.35 0.00 0.00 41.96 38.63 3hpi s TYR 171 CO 0.33 -0.83 0.44 -1.83 -1.34 0.00 0.00 175.55 172.32 3hpi s GLU 172 N 2.82 0.65 -0.98 4.97 -1.05 0.18 -4.90 118.70 120.39 3hpi s GLU 172 Ca 0.23 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 3hpi s GLU 172 Cb -0.14 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 3hpi s GLU 172 CO 0.18 -0.14 0.00 0.09 0.95 0.00 0.00 175.26 176.35 3hpi n ASN 173 N 2.07 -3.76 0.00 0.83 5.03 -1.26 -2.97 115.26 115.19 3hpi n ASN 173 Ca -0.17 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.37 3hpi n ASN 173 Cb 0.57 -2.71 0.00 0.00 -1.02 0.00 0.00 39.78 36.61 3hpi n ASN 173 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hpi n GLY 174 N -1.26 0.73 3.78 7.41 0.00 -1.26 -5.03 105.19 109.57 3hpi n GLY 174 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3hpi n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpi s LYS 175 N -0.32 1.73 -0.20 1.61 -2.85 -1.16 -5.14 119.74 113.42 3hpi s LYS 175 Ca 0.00 -1.07 -0.25 0.00 -1.00 0.00 0.00 55.97 53.66 3hpi s LYS 175 Cb 0.00 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3hpi s LYS 175 CO 0.00 -0.77 0.81 0.71 0.10 0.00 0.00 175.35 176.20 3hpi s TYR 176 N -3.93 3.38 -0.44 1.78 2.02 -1.26 -0.65 117.35 118.25 3hpi s TYR 176 Ca 0.14 1.18 -0.29 0.00 -0.37 0.00 0.00 57.07 57.74 3hpi s TYR 176 Cb -0.05 -3.01 0.02 0.00 -0.40 0.00 0.00 41.96 38.53 3hpi s TYR 176 CO 0.08 -0.29 1.26 0.34 -1.57 0.00 0.00 175.55 175.37 3hpi s ASP 177 N 1.22 6.51 0.00 2.29 -1.08 0.30 -4.88 116.67 121.03 3hpi s ASP 177 Ca 0.36 0.65 0.31 0.00 -0.52 0.00 0.00 52.55 53.35 3hpi s ASP 177 Cb -0.16 -2.55 1.72 0.00 -1.46 0.00 0.00 42.92 40.48 3hpi s ASP 177 CO 0.10 -1.32 2.13 2.30 0.52 0.00 0.00 175.17 178.91 3hpi n ILE 178 N 6.91 0.01 -0.04 4.11 -5.35 -1.26 -3.13 119.36 120.61 3hpi n ILE 178 Ca 0.14 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.65 3hpi n ILE 178 Cb 0.48 -0.51 -0.14 0.00 -1.74 0.00 0.00 39.64 37.74 3hpi n ILE 178 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hpi n LYS 179 N -1.12 0.81 -2.93 6.28 4.76 -1.26 -4.73 118.16 119.98 3hpi n LYS 179 Ca 0.20 -0.11 -0.44 0.00 -2.87 0.00 0.00 58.31 55.09 3hpi n LYS 179 Cb 0.16 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3hpi n LYS 179 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3hpi s ASP 180 N -4.45 6.93 -0.12 4.39 -1.08 -1.18 -4.98 116.67 116.18 3hpi s ASP 180 Ca -0.07 -2.69 -0.03 0.00 -0.52 0.00 0.00 52.55 49.25 3hpi s ASP 180 Cb 0.09 -2.41 -0.03 0.00 -1.46 0.00 0.00 42.92 39.11 3hpi s ASP 180 CO 0.73 -0.86 -0.02 -0.69 0.52 0.00 0.00 175.17 174.85 3hpi s VAL 181 N 2.01 4.09 -0.51 1.11 1.01 -1.26 -2.52 120.40 124.34 3hpi s VAL 181 Ca 0.40 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3hpi s VAL 181 Cb -0.03 -2.75 0.43 0.00 0.00 0.00 0.00 36.38 34.03 3hpi s VAL 181 CO -0.03 0.55 1.50 0.61 0.00 0.00 0.00 175.10 177.73 3hpi n GLY 182 N 2.81 6.04 0.07 4.51 0.00 -0.31 -4.63 105.19 113.68 3hpi n GLY 182 Ca -0.18 -2.58 0.12 0.00 0.00 0.00 0.00 46.02 43.37 3hpi n GLY 182 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hpi n VAL 183 N -0.67 0.38 -0.40 1.61 0.24 -1.16 -1.37 118.33 116.97 3hpi n VAL 183 Ca 0.49 -0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 3hpi n VAL 183 Cb 0.70 -0.10 0.21 0.00 -1.47 0.00 0.00 33.84 33.17 3hpi n VAL 183 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3hpi n ASP 184 N -2.26 3.36 -4.19 -1.34 2.03 -1.26 -4.66 116.55 108.23 3hpi n ASP 184 Ca 0.02 -2.25 -0.28 0.00 0.52 0.00 0.00 54.79 52.80 3hpi n ASP 184 Cb 0.48 -0.34 0.18 0.00 -0.72 0.00 0.00 41.12 40.71 3hpi n ASP 184 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hpi s ASN 185 N -1.18 3.27 0.15 1.67 2.20 -1.26 -4.84 114.94 114.95 3hpi s ASN 185 Ca 0.31 -0.09 -0.17 0.00 -0.94 0.00 0.00 52.86 51.98 3hpi s ASN 185 Cb 0.19 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.48 3hpi s ASN 185 CO 0.16 -2.60 1.81 0.00 -2.94 0.00 0.00 177.10 173.53 3hpi h ALA 186 N -1.37 0.48 -0.26 3.54 0.00 -1.94 -0.96 119.26 118.74 3hpi h ALA 186 Ca -0.41 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3hpi h ALA 186 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3hpi h ALA 186 CO 0.33 -0.06 0.04 0.78 0.00 0.00 0.00 179.25 180.34 3hpi h GLY 187 N 0.51 0.29 1.17 0.00 0.00 -1.83 -0.30 103.07 102.91 3hpi h GLY 187 Ca 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3hpi h GLY 187 CO -0.03 -0.02 0.03 0.00 0.00 0.00 0.00 176.54 176.52 3hpi h ALA 188 N 1.20 0.94 -0.54 3.60 0.00 -1.60 -2.54 119.26 120.32 3hpi h ALA 188 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3hpi h ALA 188 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hpi h ALA 188 CO -0.17 0.64 0.08 0.87 0.00 0.00 0.00 179.25 180.67 3hpi h LYS 189 N 0.93 0.90 -0.39 0.00 1.57 -0.80 -2.31 116.57 116.47 3hpi h LYS 189 Ca 0.17 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hpi h LYS 189 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3hpi h LYS 189 CO 0.02 0.88 0.24 0.00 -0.57 0.00 0.00 179.45 180.02 3hpi h ALA 190 N 0.98 0.50 -0.42 3.86 0.00 -0.91 -0.91 119.26 122.36 3hpi h ALA 190 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hpi h ALA 190 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hpi h ALA 190 CO 0.01 -0.02 0.15 0.78 0.00 0.00 0.00 179.25 180.18 3hpi h GLY 191 N 0.52 0.69 1.89 0.00 0.00 -1.37 -2.37 103.07 102.43 3hpi h GLY 191 Ca 0.14 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3hpi h GLY 191 CO -0.03 0.37 -0.60 -2.00 0.00 0.00 0.00 176.54 174.28 3hpi h LEU 192 N 0.54 0.13 -0.82 3.11 5.85 -1.36 -2.59 115.31 120.17 3hpi h LEU 192 Ca 0.14 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3hpi h LEU 192 Cb 0.23 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hpi h LEU 192 CO -0.01 0.70 0.22 0.74 -0.34 0.00 0.00 178.44 179.75 3hpi h THR 193 N 0.09 1.26 -0.47 1.05 2.02 -1.03 -0.45 112.91 115.37 3hpi h THR 193 Ca -0.01 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 3hpi h THR 193 Cb 1.09 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3hpi h THR 193 CO 0.09 0.35 0.02 0.15 0.37 0.00 0.00 175.52 176.49 3hpi h PHE 194 N 1.05 0.88 0.08 3.16 3.57 -1.26 -0.33 116.94 124.10 3hpi h PHE 194 Ca 0.23 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3hpi h PHE 194 Cb 0.30 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hpi h PHE 194 CO 0.02 0.84 -0.04 1.25 -2.23 0.00 0.00 178.31 178.16 3hpi h LEU 195 N 0.67 -0.09 -1.70 0.59 5.85 -1.17 -1.84 115.31 117.62 3hpi h LEU 195 Ca 0.13 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hpi h LEU 195 Cb 0.48 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hpi h LEU 195 CO 0.02 0.03 0.01 0.58 -0.34 0.00 0.00 178.44 178.74 3hpi h VAL 196 N -0.20 1.09 -0.34 1.05 2.07 -1.02 -1.38 116.25 117.51 3hpi h VAL 196 Ca -0.01 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 3hpi h VAL 196 Cb 0.17 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hpi h VAL 196 CO 0.02 0.11 -0.34 0.44 0.02 0.00 0.00 177.57 177.81 3hpi h ASP 197 N 0.19 0.81 -0.49 0.57 3.32 -0.74 -0.07 116.42 120.01 3hpi h ASP 197 Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 3hpi h ASP 197 Cb 0.12 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3hpi h ASP 197 CO 0.00 1.08 0.20 -0.07 -1.72 0.00 0.00 179.24 178.73 3hpi h LEU 198 N 0.65 0.70 -0.04 1.55 3.38 -0.43 0.60 115.31 121.73 3hpi h LEU 198 Ca 0.06 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3hpi h LEU 198 Cb 0.89 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hpi h LEU 198 CO 0.08 0.64 -0.45 0.40 0.09 0.00 0.00 178.44 179.20 3hpi h ILE 199 N 0.76 1.44 -0.15 1.22 2.04 -1.11 0.43 117.51 122.14 3hpi h ILE 199 Ca 0.18 -1.92 -0.16 0.00 1.00 0.00 0.00 64.86 63.97 3hpi h ILE 199 Cb 0.17 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3hpi h ILE 199 CO -0.02 0.55 -0.56 0.11 0.00 0.00 0.00 178.15 178.24 3hpi h LYS 200 N -0.15 0.47 0.00 2.37 1.57 -0.90 -2.28 116.57 117.66 3hpi h LYS 200 Ca -0.05 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3hpi h LYS 200 Cb 1.14 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hpi h LYS 200 CO 0.09 0.91 0.00 0.09 -0.57 0.00 0.00 179.45 179.97 3hpi n ASN 201 N -3.94 0.00 -0.78 0.86 5.03 0.19 -4.88 115.26 111.74 3hpi n ASN 201 Ca -0.03 -1.04 -0.10 0.00 0.87 0.00 0.00 54.58 54.28 3hpi n ASN 201 Cb 0.61 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.33 3hpi n ASN 201 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hpi n LYS 202 N -0.86 -0.68 0.06 3.52 4.76 -0.86 -4.89 118.16 119.21 3hpi n LYS 202 Ca 0.14 0.80 0.13 0.00 -2.87 0.00 0.00 58.31 56.51 3hpi n LYS 202 Cb 0.06 -4.72 0.37 0.00 -1.84 0.00 0.00 35.03 28.91 3hpi n LYS 202 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hpi n HIS 203 N -2.86 0.55 -3.89 2.13 8.25 0.15 -4.85 115.22 114.69 3hpi n HIS 203 Ca -0.10 0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 3hpi n HIS 203 Cb 0.35 -0.71 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 3hpi n HIS 203 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hpi s MET 204 N -3.09 0.97 -0.15 -0.41 -1.94 -0.90 -4.81 119.30 108.97 3hpi s MET 204 Ca 0.10 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.06 3hpi s MET 204 Cb 0.14 0.36 0.00 0.00 2.01 0.00 0.00 34.83 37.35 3hpi s MET 204 CO 0.63 -0.33 -0.17 1.21 -0.01 0.00 0.00 175.02 176.34 3hpi s ASN 205 N -2.90 3.50 0.63 3.03 3.84 -1.26 -4.39 114.94 117.39 3hpi s ASN 205 Ca 0.10 -0.51 0.27 0.00 0.21 0.00 0.00 52.86 52.92 3hpi s ASN 205 Cb 0.04 -1.53 1.46 0.00 -0.55 0.00 0.00 41.25 40.68 3hpi s ASN 205 CO -0.07 0.08 1.81 0.00 -2.79 0.00 0.00 177.10 176.14 3hpi h ALA 206 N 7.32 1.34 0.00 1.71 0.00 -1.88 -0.09 119.26 127.66 3hpi h ALA 206 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hpi h ALA 206 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hpi h ALA 206 CO 0.56 -0.34 -0.34 -0.25 0.00 0.00 0.00 179.25 178.88 3hpi n ASP 207 N -2.78 0.58 -4.67 0.00 8.00 -1.26 -4.81 116.55 111.61 3hpi n ASP 207 Ca -0.02 0.23 -0.48 0.00 0.71 0.00 0.00 54.79 55.23 3hpi n ASP 207 Cb 0.39 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 3hpi n ASP 207 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hpi n THR 208 N -1.94 0.32 -4.07 -3.53 -1.04 -0.05 -4.96 114.28 99.01 3hpi n THR 208 Ca 0.05 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 61.97 3hpi n THR 208 Cb 0.40 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 67.24 3hpi n THR 208 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3hpi n ASP 209 N 5.18 1.77 -0.29 8.00 5.68 -1.26 -2.26 116.55 133.37 3hpi n ASP 209 Ca 0.20 -1.23 -0.01 0.00 -0.50 0.00 0.00 54.79 53.25 3hpi n ASP 209 Cb 0.28 0.06 0.12 0.00 -1.14 0.00 0.00 41.12 40.44 3hpi n ASP 209 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3hpi h TYR 210 N 1.04 0.93 -0.04 2.11 5.03 -1.92 -2.03 116.97 122.09 3hpi h TYR 210 Ca -0.04 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3hpi h TYR 210 Cb 0.13 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 3hpi h TYR 210 CO 0.00 0.49 0.01 0.77 -1.32 0.00 0.00 178.16 178.11 3hpi h SER 211 N 0.94 0.05 0.21 -2.11 0.02 -1.99 -2.21 113.55 108.46 3hpi h SER 211 Ca 0.34 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3hpi h SER 211 Cb 0.12 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3hpi h SER 211 CO -0.15 0.21 -0.24 0.40 -1.14 0.00 0.00 176.83 175.90 3hpi h ILE 212 N -0.11 0.47 -0.84 3.27 1.08 -1.92 -0.99 117.51 118.48 3hpi h ILE 212 Ca 0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3hpi h ILE 212 Cb 0.18 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 3hpi h ILE 212 CO -0.00 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.93 3hpi h ALA 213 N 0.18 1.07 -0.13 1.87 0.00 -1.41 -0.88 119.26 119.96 3hpi h ALA 213 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hpi h ALA 213 Cb 0.48 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hpi h ALA 213 CO -0.08 0.56 0.00 1.49 0.00 0.00 0.00 179.25 181.22 3hpi h GLU 214 N 1.16 0.23 -0.54 0.00 4.81 -1.28 -1.58 114.58 117.38 3hpi h GLU 214 Ca 0.30 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3hpi h GLU 214 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3hpi h GLU 214 CO -0.05 0.47 0.28 0.00 -0.73 0.00 0.00 179.01 178.97 3hpi h ALA 215 N 0.75 0.69 -0.25 2.92 0.00 -1.08 0.34 119.26 122.64 3hpi h ALA 215 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hpi h ALA 215 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hpi h ALA 215 CO 0.01 0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.64 3hpi h ALA 216 N 1.11 0.32 -0.28 0.00 0.00 -1.08 -1.29 119.26 118.04 3hpi h ALA 216 Ca 0.19 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3hpi h ALA 216 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hpi h ALA 216 CO -0.03 -0.18 -0.52 0.35 0.00 0.00 0.00 179.25 178.87 3hpi h PHE 217 N 0.31 1.08 0.00 0.00 3.04 -1.15 0.11 116.94 120.32 3hpi h PHE 217 Ca 0.09 -0.38 0.00 0.00 3.98 0.00 0.00 57.97 61.66 3hpi h PHE 217 Cb 0.02 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.33 3hpi h PHE 217 CO -0.05 1.21 0.00 0.09 -2.02 0.00 0.00 178.31 177.54 3hpi n ASN 218 N -4.04 0.09 -0.94 0.41 5.03 0.10 -1.67 115.26 114.23 3hpi n ASN 218 Ca -0.04 0.52 0.08 0.00 0.87 0.00 0.00 54.58 56.00 3hpi n ASN 218 Cb 0.62 -0.54 0.22 0.00 -1.02 0.00 0.00 39.78 39.06 3hpi n ASN 218 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3hpi n LYS 219 N -1.59 2.76 -2.77 3.52 5.02 -0.50 -4.83 118.16 119.78 3hpi n LYS 219 Ca 0.05 -2.29 -0.22 0.00 -2.02 0.00 0.00 58.31 53.83 3hpi n LYS 219 Cb 0.24 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3hpi n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hpi n GLY 220 N 1.00 -0.50 0.03 0.72 0.00 -0.67 -4.89 105.19 100.88 3hpi n GLY 220 Ca 0.17 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3hpi n GLY 220 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hpi n GLU 221 N -3.60 0.38 -4.44 1.61 1.02 0.35 -4.89 120.64 111.07 3hpi n GLU 221 Ca -0.17 -0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.73 3hpi n GLU 221 Cb 0.65 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 30.34 3hpi n GLU 221 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3hpi s THR 222 N -3.27 0.83 0.34 2.62 -1.32 -1.18 -2.49 115.64 111.16 3hpi s THR 222 Ca 0.01 -0.44 0.11 0.00 -1.21 0.00 0.00 61.69 60.16 3hpi s THR 222 Cb 0.14 -0.70 0.06 0.00 -1.51 0.00 0.00 72.50 70.49 3hpi s THR 222 CO 0.84 0.24 1.77 0.00 -2.21 0.00 0.00 174.62 175.25 3hpi h ALA 223 N 5.98 1.26 -2.43 11.08 0.00 -1.21 -3.43 119.26 130.51 3hpi h ALA 223 Ca -0.32 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 3hpi h ALA 223 Cb 1.17 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 3hpi h ALA 223 CO 0.49 0.54 -0.63 -1.64 0.00 0.00 0.00 179.25 178.02 3hpi s MET 224 N -4.11 0.92 0.19 0.00 -1.94 0.45 -0.39 119.30 114.42 3hpi s MET 224 Ca -0.03 -1.40 -0.19 0.00 -1.71 0.00 0.00 55.69 52.36 3hpi s MET 224 Cb 0.14 0.25 0.04 0.00 2.01 0.00 0.00 34.83 37.27 3hpi s MET 224 CO 0.74 -0.26 0.56 -0.08 -0.01 0.00 0.00 175.02 175.97 3hpi s THR 225 N -4.03 0.02 -0.13 2.05 -1.32 0.10 -1.42 115.64 110.90 3hpi s THR 225 Ca 0.22 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 60.12 3hpi s THR 225 Cb 0.07 -1.47 0.01 0.00 -1.51 0.00 0.00 72.50 69.60 3hpi s THR 225 CO 0.01 -0.09 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.48 3hpi s ILE 226 N -3.84 2.13 0.28 5.08 1.01 -1.26 -0.59 121.20 124.01 3hpi s ILE 226 Ca 0.07 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 3hpi s ILE 226 Cb -0.01 -1.85 0.05 0.00 0.01 0.00 0.00 42.46 40.66 3hpi s ILE 226 CO -0.05 0.55 0.85 0.21 0.00 0.00 0.00 174.94 176.50 3hpi s ASN 227 N 0.73 -0.09 0.54 3.58 3.84 -1.09 -4.67 114.94 117.78 3hpi s ASN 227 Ca -0.09 -0.79 0.08 0.00 0.21 0.00 0.00 52.86 52.27 3hpi s ASN 227 Cb -0.16 0.69 0.06 0.00 -0.55 0.00 0.00 41.25 41.30 3hpi s ASN 227 CO 0.00 -1.34 0.65 -0.83 -2.79 0.00 0.00 177.10 172.80 3hpi s GLY 228 N -3.07 1.93 0.37 1.21 0.00 -1.26 -1.77 107.32 104.72 3hpi s GLY 228 Ca 0.15 -1.87 0.14 0.00 0.00 0.00 0.00 44.72 43.14 3hpi s GLY 228 CO 0.08 -1.73 1.80 -2.55 0.00 0.00 0.00 173.10 170.69 3hpi h PRO 229 N 0.41 0.51 -0.12 2.90 0.11 -1.82 -2.21 132.00 131.78 3hpi h PRO 229 Ca -0.33 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.78 3hpi h PRO 229 Cb 1.29 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hpi h PRO 229 CO 0.46 0.34 0.24 0.11 -0.21 0.00 0.00 178.00 178.94 3hpi h TRP 230 N 0.53 0.00 0.00 0.65 0.09 -1.83 -1.54 115.95 113.85 3hpi h TRP 230 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.53 3hpi h TRP 230 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.44 3hpi h TRP 230 CO -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.21 3hpi h ALA 231 N 1.63 0.81 -0.64 0.11 0.00 -1.71 -3.37 119.26 116.09 3hpi h ALA 231 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3hpi h ALA 231 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hpi h ALA 231 CO -0.00 0.00 0.43 -1.49 0.00 0.00 0.00 179.25 178.18 3hpi h TRP 232 N 0.00 0.55 -0.18 0.00 6.55 -1.44 -2.88 115.95 118.55 3hpi h TRP 232 Ca 0.00 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.88 3hpi h TRP 232 Cb 0.83 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.92 3hpi h TRP 232 CO 0.00 0.27 0.03 0.77 -1.05 0.00 0.00 178.44 178.47 3hpi h SER 233 N 0.53 0.01 0.23 -3.49 0.02 -1.78 -0.96 113.55 108.11 3hpi h SER 233 Ca 0.29 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.16 3hpi h SER 233 Cb 0.44 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3hpi h SER 233 CO -0.09 0.03 -0.41 0.78 -1.14 0.00 0.00 176.83 176.00 3hpi h ASN 234 N 0.11 0.26 -0.23 3.07 2.35 -1.79 -2.43 115.58 116.91 3hpi h ASN 234 Ca 0.08 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3hpi h ASN 234 Cb 0.08 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3hpi h ASN 234 CO -0.11 0.65 -0.20 0.40 -1.65 0.00 0.00 177.43 176.52 3hpi h ILE 235 N 0.21 1.26 -0.55 2.81 2.04 -1.33 -1.08 117.51 120.87 3hpi h ILE 235 Ca 0.02 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 3hpi h ILE 235 Cb 0.82 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3hpi h ILE 235 CO 0.06 0.42 0.10 0.44 0.00 0.00 0.00 178.15 179.17 3hpi h ASP 236 N 0.60 0.86 0.28 1.72 3.32 -0.95 -2.67 116.42 119.57 3hpi h ASP 236 Ca 0.09 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 3hpi h ASP 236 Cb 0.67 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3hpi h ASP 236 CO 0.05 0.89 -0.27 0.74 -1.72 0.00 0.00 179.24 178.92 3hpi h THR 237 N 0.79 1.19 0.00 0.35 2.02 -1.07 -2.42 112.91 113.77 3hpi h THR 237 Ca 0.17 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3hpi h THR 237 Cb 0.39 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3hpi h THR 237 CO 0.01 0.27 0.00 0.77 0.37 0.00 0.00 175.52 176.94 3hpi h SER 238 N 0.00 0.00 -0.03 4.18 4.64 -0.87 -3.47 113.55 118.00 3hpi h SER 238 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3hpi h SER 238 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3hpi h SER 238 CO 0.04 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.27 3hpi n LYS 239 N -2.62 -0.37 -2.12 4.77 5.02 -0.91 -5.00 118.16 116.92 3hpi n LYS 239 Ca 0.03 0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 3hpi n LYS 239 Cb 0.39 -3.54 -0.03 0.00 -0.02 0.00 0.00 35.03 31.82 3hpi n LYS 239 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hpi s VAL 240 N -1.86 2.95 -0.69 -0.18 1.01 -1.24 -4.93 120.40 115.46 3hpi s VAL 240 Ca 0.00 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 3hpi s VAL 240 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3hpi s VAL 240 CO 0.00 0.12 1.14 0.20 0.00 0.00 0.00 175.10 176.56 3hpi s ASN 241 N 0.34 6.19 0.30 3.32 0.01 -1.26 -4.88 114.94 118.96 3hpi s ASN 241 Ca 0.58 -0.63 0.10 0.00 -0.71 0.00 0.00 52.86 52.20 3hpi s ASN 241 Cb -0.39 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 38.72 3hpi s ASN 241 CO 0.40 -1.64 -0.06 -0.72 -1.51 0.00 0.00 177.10 173.58 3hpi s TYR 242 N 4.96 2.51 0.11 2.20 -0.85 -1.26 -0.47 117.35 124.56 3hpi s TYR 242 Ca 0.30 -0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.57 3hpi s TYR 242 Cb -0.12 -1.26 -0.04 0.00 0.38 0.00 0.00 41.96 40.93 3hpi s TYR 242 CO 0.14 0.59 -0.16 0.20 -1.52 0.00 0.00 175.55 174.80 3hpi s GLY 243 N -3.64 1.09 -0.20 5.49 0.00 -0.37 -4.84 107.32 104.85 3hpi s GLY 243 Ca 0.32 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3hpi s GLY 243 CO 0.18 -1.29 -0.17 0.14 0.00 0.00 0.00 173.10 171.96 3hpi s VAL 244 N -1.80 2.16 0.24 1.40 1.01 -1.26 -1.92 120.40 120.24 3hpi s VAL 244 Ca 0.07 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3hpi s VAL 244 Cb -0.07 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3hpi s VAL 244 CO 0.03 0.43 0.18 1.07 0.00 0.00 0.00 175.10 176.81 3hpi n THR 245 N 4.60 0.00 -1.96 3.92 5.66 0.19 -4.76 114.28 121.93 3hpi n THR 245 Ca -0.20 -1.70 -0.40 0.00 -3.05 0.00 0.00 64.05 58.70 3hpi n THR 245 Cb 0.49 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 3hpi n THR 245 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3hpi s VAL 246 N -2.90 2.41 0.65 1.08 1.01 -1.26 -1.30 120.40 120.09 3hpi s VAL 246 Ca 0.26 0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 3hpi s VAL 246 Cb 0.01 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hpi s VAL 246 CO 0.18 0.06 1.18 -0.76 0.00 0.00 0.00 175.10 175.76 3hpi s LEU 247 N -2.44 3.48 0.83 3.92 1.43 -1.26 -4.48 118.68 120.16 3hpi s LEU 247 Ca 0.57 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3hpi s LEU 247 Cb -0.41 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.32 3hpi s LEU 247 CO 0.53 -1.80 1.10 -2.16 0.23 0.00 0.00 176.35 174.24 3hpi s PRO 248 N -3.72 1.77 0.48 1.29 0.04 -1.26 -4.59 135.00 129.01 3hpi s PRO 248 Ca 0.73 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 3hpi s PRO 248 Cb -0.27 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3hpi s PRO 248 CO 0.39 -1.98 0.78 0.95 0.04 0.00 0.00 177.00 177.18 3hpi s THR 249 N -2.86 4.77 -0.08 1.26 -4.23 0.73 -3.51 115.64 111.72 3hpi s THR 249 Ca 0.63 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 3hpi s THR 249 Cb -0.18 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.86 3hpi s THR 249 CO 0.57 -0.78 -0.06 0.12 -0.54 0.00 0.00 174.62 173.93 3hpi s PHE 250 N -2.73 1.17 -1.51 3.99 5.36 0.20 -0.45 117.98 124.00 3hpi s PHE 250 Ca 0.47 -0.48 -0.12 0.00 -0.96 0.00 0.00 56.93 55.84 3hpi s PHE 250 Cb -0.10 -1.00 0.08 0.00 -0.34 0.00 0.00 43.02 41.65 3hpi s PHE 250 CO 0.44 -0.37 0.94 1.63 -1.46 0.00 0.00 175.22 176.40 3hpi n LYS 251 N 4.58 -5.36 -0.93 10.12 5.02 -1.26 -0.79 118.16 129.54 3hpi n LYS 251 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3hpi n LYS 251 Cb 0.50 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3hpi n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hpi n GLY 252 N -1.68 0.74 3.51 0.72 0.00 -1.26 -5.02 105.19 102.20 3hpi n GLY 252 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3hpi n GLY 252 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hpi s GLN 253 N -0.21 1.87 0.58 1.61 -0.21 0.03 -5.06 119.66 118.27 3hpi s GLN 253 Ca 0.00 -1.23 -0.19 0.00 0.02 0.00 0.00 55.36 53.96 3hpi s GLN 253 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3hpi s GLN 253 CO 0.00 0.46 1.18 -2.14 -2.12 0.00 0.00 175.29 172.67 3hpi s PRO 254 N -2.42 3.08 0.34 2.91 0.02 -1.26 0.61 135.00 138.28 3hpi s PRO 254 Ca 0.21 1.76 -0.27 0.00 0.02 0.00 0.00 61.00 62.72 3hpi s PRO 254 Cb -0.10 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 3hpi s PRO 254 CO 0.12 -1.10 1.08 -1.12 -0.33 0.00 0.00 177.00 175.64 3hpi s SER 255 N -1.65 7.00 -0.66 2.53 0.01 -1.23 -4.51 113.70 115.17 3hpi s SER 255 Ca 0.76 2.17 -0.02 0.00 1.31 0.00 0.00 55.95 60.17 3hpi s SER 255 Cb -0.28 -2.61 0.17 0.00 0.21 0.00 0.00 66.02 63.51 3hpi s SER 255 CO 0.31 -0.33 0.48 -0.54 0.41 0.00 0.00 173.24 173.58 3hpi s LYS 256 N -1.96 2.63 0.51 12.44 1.02 -0.80 -4.61 119.74 128.97 3hpi s LYS 256 Ca 0.51 -2.71 -0.21 0.00 0.02 0.00 0.00 55.97 53.58 3hpi s LYS 256 Cb -0.27 -3.71 -0.06 0.00 -0.52 0.00 0.00 37.83 33.26 3hpi s LYS 256 CO 0.35 -1.19 1.15 -1.25 -0.92 0.00 0.00 175.35 173.49 3hpi s PRO 257 N -0.38 3.51 -0.21 -1.68 0.04 -1.26 -4.18 135.00 130.84 3hpi s PRO 257 Ca 0.19 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 3hpi s PRO 257 Cb -0.18 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3hpi s PRO 257 CO -0.05 -0.74 0.88 -0.06 0.04 0.00 0.00 177.00 177.07 3hpi s PHE 258 N -1.66 3.36 -0.11 0.56 0.08 -1.26 -1.80 117.98 117.14 3hpi s PHE 258 Ca 0.69 1.25 -0.27 0.00 0.12 0.00 0.00 56.93 58.72 3hpi s PHE 258 Cb -0.26 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.08 3hpi s PHE 258 CO 0.31 -0.36 0.91 0.08 -0.10 0.00 0.00 175.22 176.05 3hpi s VAL 259 N 2.66 4.86 0.04 -0.44 1.01 0.19 -4.76 120.40 123.96 3hpi s VAL 259 Ca 0.38 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.22 3hpi s VAL 259 Cb -0.16 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3hpi s VAL 259 CO 0.09 0.06 0.01 -0.83 0.00 0.00 0.00 175.10 174.43 3hpi s GLY 260 N 1.07 1.90 -0.32 4.51 0.00 -0.45 -1.98 107.32 112.05 3hpi s GLY 260 Ca 0.44 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.15 3hpi s GLY 260 CO 0.17 -0.93 0.03 0.14 0.00 0.00 0.00 173.10 172.51 3hpi s VAL 261 N -1.19 2.78 0.11 1.40 1.01 -1.26 -1.24 120.40 122.01 3hpi s VAL 261 Ca 0.22 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.18 3hpi s VAL 261 Cb -0.12 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 3hpi s VAL 261 CO 0.14 -0.28 1.84 -0.22 0.00 0.00 0.00 175.10 176.57 3hpi s LEU 262 N 1.15 4.40 0.08 3.92 2.96 0.38 -0.89 118.68 130.68 3hpi s LEU 262 Ca -0.01 2.73 0.06 0.00 -0.22 0.00 0.00 54.13 56.69 3hpi s LEU 262 Cb -0.20 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 3hpi s LEU 262 CO -0.04 -1.01 -0.15 -0.44 -1.32 0.00 0.00 176.35 173.40 3hpi s SER 263 N 2.93 1.82 -0.30 3.68 0.01 0.23 -0.18 113.70 121.90 3hpi s SER 263 Ca 0.82 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 57.38 3hpi s SER 263 Cb -0.45 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 65.74 3hpi s SER 263 CO 0.37 -0.06 0.06 0.00 0.41 0.00 0.00 173.24 174.02 3hpi s ALA 264 N -1.29 2.99 0.08 1.44 0.00 -0.11 -1.43 121.76 123.44 3hpi s ALA 264 Ca -0.00 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.46 3hpi s ALA 264 Cb -0.10 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3hpi s ALA 264 CO 0.03 -1.02 -0.01 0.20 0.00 0.00 0.00 175.76 174.95 3hpi s GLY 265 N 1.44 1.91 -0.21 0.00 0.00 0.06 -0.60 107.32 109.91 3hpi s GLY 265 Ca 0.01 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.54 3hpi s GLY 265 CO 0.01 -1.07 0.09 -0.42 0.00 0.00 0.00 173.10 171.71 3hpi s ILE 266 N -1.28 4.80 0.17 0.90 1.01 -1.26 -0.81 121.20 124.73 3hpi s ILE 266 Ca 0.25 -0.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.54 3hpi s ILE 266 Cb -0.12 -3.20 -0.14 0.00 0.01 0.00 0.00 42.46 39.01 3hpi s ILE 266 CO 0.17 0.40 1.52 -3.20 0.00 0.00 0.00 174.94 173.83 3hpi n ASN 267 N 4.05 2.89 0.11 3.58 2.85 -0.61 -0.95 115.26 127.17 3hpi n ASN 267 Ca -0.16 1.10 0.03 0.00 -0.11 0.00 0.00 54.58 55.44 3hpi n ASN 267 Cb 0.52 -1.41 0.41 0.00 1.24 0.00 0.00 39.78 40.54 3hpi n ASN 267 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hpi h ALA 268 N 5.41 1.56 -0.14 5.20 0.00 -1.24 -2.23 119.26 127.83 3hpi h ALA 268 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3hpi h ALA 268 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hpi h ALA 268 CO 0.85 0.32 0.00 0.00 0.00 0.00 0.00 179.25 180.42 3hpi n ALA 269 N -2.49 2.50 -1.92 0.00 0.00 -1.26 -4.88 120.51 112.45 3hpi n ALA 269 Ca -0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 3hpi n ALA 269 Cb 0.22 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3hpi n ALA 269 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hpi s SER 270 N -1.18 7.52 0.00 0.00 0.15 -0.84 -4.90 113.70 114.46 3hpi s SER 270 Ca 0.17 1.96 0.25 0.00 0.70 0.00 0.00 55.95 59.03 3hpi s SER 270 Cb 0.08 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.50 3hpi s SER 270 CO 0.12 0.02 1.55 -2.65 1.20 0.00 0.00 173.24 173.48 3hpi n PRO 271 N 1.90 1.93 -1.65 5.44 -0.02 -1.26 -4.19 135.00 137.16 3hpi n PRO 271 Ca -0.00 -1.38 -0.16 0.00 -2.02 0.00 0.00 63.50 59.94 3hpi n PRO 271 Cb 0.47 -1.46 0.07 0.00 -0.02 0.00 0.00 33.50 32.56 3hpi n PRO 271 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hpi n ASN 272 N 0.64 4.08 0.09 2.55 3.02 -1.26 -4.82 115.26 119.55 3hpi n ASN 272 Ca 0.17 -3.79 0.03 0.00 -0.03 0.00 0.00 54.58 50.96 3hpi n ASN 272 Cb 0.43 -0.39 0.41 0.00 -0.61 0.00 0.00 39.78 39.62 3hpi n ASN 272 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3hpi h LYS 273 N 1.87 0.33 -0.28 3.52 1.57 -1.94 0.26 116.57 121.90 3hpi h LYS 273 Ca 0.27 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 3hpi h LYS 273 Cb 1.40 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 3hpi h LYS 273 CO 0.56 0.36 -0.35 0.93 -0.57 0.00 0.00 179.45 180.38 3hpi h GLU 274 N 0.32 0.73 -0.34 3.15 3.07 -1.95 -2.17 114.58 117.38 3hpi h GLU 274 Ca 0.07 -0.41 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 3hpi h GLU 274 Cb 0.23 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3hpi h GLU 274 CO 0.01 1.03 -0.24 -0.07 -1.40 0.00 0.00 179.01 178.34 3hpi h LEU 275 N 0.47 0.68 -0.21 1.33 3.38 -1.85 -2.07 115.31 117.05 3hpi h LEU 275 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hpi h LEU 275 Cb 0.94 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3hpi h LEU 275 CO 0.08 0.91 0.10 0.00 0.09 0.00 0.00 178.44 179.62 3hpi h ALA 276 N 1.14 0.28 -0.44 1.53 0.00 -0.88 -1.21 119.26 119.68 3hpi h ALA 276 Ca 0.08 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hpi h ALA 276 Cb 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hpi h ALA 276 CO 0.06 -0.16 0.24 -0.22 0.00 0.00 0.00 179.25 179.17 3hpi h LYS 277 N 0.21 0.46 -0.39 0.00 3.64 -1.25 -1.04 116.57 118.20 3hpi h LYS 277 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hpi h LYS 277 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3hpi h LYS 277 CO -0.01 0.31 0.26 0.93 -2.27 0.00 0.00 179.45 178.67 3hpi h GLU 278 N 0.48 0.51 0.09 1.90 4.39 -1.20 0.10 114.58 120.84 3hpi h GLU 278 Ca 0.18 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3hpi h GLU 278 Cb 0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hpi h GLU 278 CO -0.11 0.34 -0.04 0.35 -1.16 0.00 0.00 179.01 178.39 3hpi h PHE 279 N 0.53 -0.11 -0.05 4.33 3.04 -0.94 -0.20 116.94 123.55 3hpi h PHE 279 Ca 0.14 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3hpi h PHE 279 Cb -0.06 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 3hpi h PHE 279 CO -0.05 0.03 0.01 -0.07 -2.02 0.00 0.00 178.31 176.21 3hpi h LEU 280 N -0.22 0.07 -0.10 0.59 3.38 -1.06 0.20 115.31 118.18 3hpi h LEU 280 Ca -0.01 -0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.49 3hpi h LEU 280 Cb 0.18 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hpi h LEU 280 CO 0.02 0.28 -0.91 -0.33 0.09 0.00 0.00 178.44 177.59 3hpi h GLU 281 N -0.14 0.72 -0.00 1.13 5.08 -1.04 -0.05 114.58 120.28 3hpi h GLU 281 Ca 0.02 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3hpi h GLU 281 Cb 0.24 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hpi h GLU 281 CO 0.00 1.27 -0.65 0.09 -1.00 0.00 0.00 179.01 178.72 3hpi n ASN 282 N -3.88 0.82 -0.02 1.42 3.02 -0.09 -4.48 115.26 112.05 3hpi n ASN 282 Ca -0.09 -0.91 -0.03 0.00 -0.03 0.00 0.00 54.58 53.52 3hpi n ASN 282 Cb 0.81 0.93 -0.01 0.00 -0.61 0.00 0.00 39.78 40.90 3hpi n ASN 282 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hpi n TYR 283 N -1.19 0.00 0.01 3.10 4.02 -0.28 -4.90 117.16 117.92 3hpi n TYR 283 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.88 3hpi n TYR 283 Cb 0.24 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 3hpi n TYR 283 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3hpi h LEU 284 N -0.10 -0.13 -5.37 7.72 5.85 -0.70 -3.28 115.31 119.31 3hpi h LEU 284 Ca -0.08 -0.15 -0.60 0.00 0.84 0.00 0.00 57.88 57.88 3hpi h LEU 284 Cb 1.08 0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.16 3hpi h LEU 284 CO -0.04 0.42 3.32 0.18 -0.34 0.00 0.00 178.44 181.98 3hpi n LEU 285 N -4.86 7.16 -4.09 2.25 4.77 -0.03 -2.63 117.00 119.58 3hpi n LEU 285 Ca -0.04 -3.85 -0.09 0.00 -0.03 0.00 0.00 56.01 52.01 3hpi n LEU 285 Cb 0.13 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 39.71 3hpi n LEU 285 CO 0.11 1.38 -0.26 0.42 -1.33 0.00 0.00 177.39 177.70 3hpi s THR 286 N 2.85 0.13 0.18 -5.08 -4.23 -1.26 -4.85 115.64 103.38 3hpi s THR 286 Ca 0.58 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 59.18 3hpi s THR 286 Cb 0.15 -1.84 0.09 0.00 1.34 0.00 0.00 72.50 72.24 3hpi s THR 286 CO -0.05 -0.59 1.73 0.44 -0.54 0.00 0.00 174.62 175.62 3hpi h ASP 287 N 2.89 0.08 0.16 3.99 5.19 -1.93 -1.80 116.42 125.01 3hpi h ASP 287 Ca -0.34 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3hpi h ASP 287 Cb 1.19 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.77 3hpi h ASP 287 CO 0.59 0.08 -0.14 -0.33 -3.12 0.00 0.00 179.24 176.32 3hpi h GLU 288 N 0.28 -0.31 -0.00 3.56 3.07 -1.90 -1.43 114.58 117.84 3hpi h GLU 288 Ca 0.23 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3hpi h GLU 288 Cb 0.28 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3hpi h GLU 288 CO -0.27 -0.21 0.00 0.78 -1.40 0.00 0.00 179.01 177.91 3hpi h GLY 289 N -0.32 0.01 1.05 -3.84 0.00 -1.57 -2.27 103.07 96.12 3hpi h GLY 289 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3hpi h GLY 289 CO -0.02 0.00 0.32 1.41 0.00 0.00 0.00 176.54 178.25 3hpi h LEU 290 N -0.05 1.11 -0.99 3.11 3.38 -1.08 -2.29 115.31 118.50 3hpi h LEU 290 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hpi h LEU 290 Cb 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3hpi h LEU 290 CO -0.00 0.98 0.52 -0.08 0.09 0.00 0.00 178.44 179.95 3hpi h GLU 291 N 1.17 1.23 0.18 1.13 4.81 -1.17 0.62 114.58 122.54 3hpi h GLU 291 Ca 0.27 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hpi h GLU 291 Cb 0.21 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hpi h GLU 291 CO -0.02 0.87 -0.18 0.00 -0.73 0.00 0.00 179.01 178.95 3hpi h ALA 292 N 1.33 -0.35 -0.12 2.92 0.00 -0.88 0.16 119.26 122.32 3hpi h ALA 292 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hpi h ALA 292 Cb -0.03 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hpi h ALA 292 CO -0.06 -0.72 0.03 0.28 0.00 0.00 0.00 179.25 178.78 3hpi h VAL 293 N -0.38 1.20 -0.55 0.00 2.07 -1.03 -3.09 116.25 114.47 3hpi h VAL 293 Ca 0.00 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.97 3hpi h VAL 293 Cb 0.36 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3hpi h VAL 293 CO -0.04 0.19 0.37 -1.13 0.02 0.00 0.00 177.57 176.97 3hpi h ASN 294 N -0.01 0.38 1.10 0.57 -1.24 0.46 0.32 115.58 117.15 3hpi h ASN 294 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3hpi h ASN 294 Cb 0.26 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3hpi h ASN 294 CO 0.00 0.24 0.00 0.11 -1.29 0.00 0.00 177.43 176.49 3hpi h LYS 295 N 0.43 0.00 0.00 6.67 1.57 -0.61 -3.00 116.57 121.64 3hpi h LYS 295 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3hpi h LYS 295 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hpi h LYS 295 CO -0.07 0.00 -0.05 0.22 -0.57 0.00 0.00 179.45 178.98 3hpi h ASP 296 N 0.00 0.00 -3.29 0.86 3.58 -0.92 -3.46 116.42 113.19 3hpi h ASP 296 Ca 0.00 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.02 3hpi h ASP 296 Cb 0.55 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.22 3hpi h ASP 296 CO 0.00 0.32 -0.77 -0.54 -2.88 0.00 0.00 179.24 175.38 3hpi s LYS 297 N -1.39 0.59 0.19 0.28 -0.14 -0.84 -4.88 119.74 113.54 3hpi s LYS 297 Ca -0.01 0.10 -0.33 0.00 -1.36 0.00 0.00 55.97 54.36 3hpi s LYS 297 Cb 0.00 -0.92 -0.14 0.00 -1.68 0.00 0.00 37.83 35.09 3hpi s LYS 297 CO 0.02 -0.28 1.39 -2.30 -0.76 0.00 0.00 175.35 173.43 3hpi n PRO 298 N 5.01 1.78 0.09 -1.68 -0.02 -1.13 -4.22 135.00 134.82 3hpi n PRO 298 Ca -0.09 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3hpi n PRO 298 Cb 0.50 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3hpi n PRO 298 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hpi h LEU 299 N 4.52 0.00 0.00 2.45 3.38 -1.87 -2.79 115.31 121.01 3hpi h LEU 299 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hpi h LEU 299 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3hpi h LEU 299 CO 0.78 0.41 0.00 0.61 0.09 0.00 0.00 178.44 180.33 3hpi n GLY 300 N 1.28 0.69 3.50 0.83 0.00 -1.26 -4.52 105.19 105.70 3hpi n GLY 300 Ca -0.03 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3hpi n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpi s ALA 301 N -2.00 3.34 0.67 4.61 0.00 -0.43 -4.90 121.76 123.04 3hpi s ALA 301 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 3hpi s ALA 301 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3hpi s ALA 301 CO 0.00 -1.93 1.14 0.14 0.00 0.00 0.00 175.76 175.11 3hpi s VAL 302 N 2.89 2.95 -0.18 0.00 -7.23 -1.26 -0.14 120.40 117.43 3hpi s VAL 302 Ca 0.21 0.47 0.29 0.00 -1.81 0.00 0.00 61.98 61.14 3hpi s VAL 302 Cb -0.15 -3.01 0.35 0.00 0.56 0.00 0.00 36.38 34.13 3hpi s VAL 302 CO 0.17 -0.25 1.83 0.00 -0.31 0.00 0.00 175.10 176.53 3hpi h ALA 303 N 0.07 1.00 -1.84 1.32 0.00 -1.40 -3.43 119.26 114.98 3hpi h ALA 303 Ca -0.47 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 3hpi h ALA 303 Cb 1.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3hpi h ALA 303 CO 0.53 0.00 0.96 -1.17 0.00 0.00 0.00 179.25 179.57 3hpi s LEU 304 N -5.91 3.74 0.20 0.00 2.96 -1.26 -2.30 118.68 116.11 3hpi s LEU 304 Ca 0.04 0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 54.68 3hpi s LEU 304 Cb 0.08 -3.54 0.23 0.00 0.50 0.00 0.00 46.19 43.45 3hpi s LEU 304 CO 0.57 -1.18 1.74 0.11 -1.32 0.00 0.00 176.35 176.27 3hpi h LYS 305 N 9.37 0.33 -0.39 1.98 1.57 -1.64 0.68 116.57 128.48 3hpi h LYS 305 Ca -0.24 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3hpi h LYS 305 Cb 1.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 3hpi h LYS 305 CO 1.08 0.22 0.22 0.66 -0.57 0.00 0.00 179.45 181.05 3hpi h SER 306 N 0.34 0.34 0.01 0.86 4.64 -1.92 -2.20 113.55 115.62 3hpi h SER 306 Ca 0.27 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.36 3hpi h SER 306 Cb 0.34 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3hpi h SER 306 CO -0.30 0.24 -0.91 0.22 -0.87 0.00 0.00 176.83 175.21 3hpi h TYR 307 N 0.44 0.96 -0.46 4.77 3.20 -1.88 -3.19 116.97 120.81 3hpi h TYR 307 Ca 0.16 -0.48 0.08 0.00 3.14 0.00 0.00 58.73 61.63 3hpi h TYR 307 Cb 0.04 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3hpi h TYR 307 CO -0.08 1.31 0.31 1.49 -1.64 0.00 0.00 178.16 179.55 3hpi h GLU 308 N 0.42 0.28 -0.20 1.82 4.57 -0.72 -0.35 114.58 120.40 3hpi h GLU 308 Ca -0.09 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3hpi h GLU 308 Cb 1.55 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 3hpi h GLU 308 CO 0.18 0.18 -0.17 0.93 -1.18 0.00 0.00 179.01 178.95 3hpi h GLU 309 N 0.29 0.34 0.00 1.92 5.08 -1.39 0.37 114.58 121.18 3hpi h GLU 309 Ca 0.21 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3hpi h GLU 309 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3hpi h GLU 309 CO -0.04 0.51 -0.40 0.93 -1.00 0.00 0.00 179.01 179.00 3hpi h GLU 310 N 0.31 0.00 0.05 2.33 5.08 -1.17 -3.30 114.58 117.88 3hpi h GLU 310 Ca 0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 3hpi h GLU 310 Cb 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3hpi h GLU 310 CO 0.03 0.40 -1.77 -0.07 -1.00 0.00 0.00 179.01 176.61 3hpi h LEU 311 N 0.00 0.16 -1.57 1.33 4.07 -0.87 -3.38 115.31 115.05 3hpi h LEU 311 Ca -0.00 -0.35 0.42 0.00 0.08 0.00 0.00 57.88 58.03 3hpi h LEU 311 Cb 1.28 -0.05 -0.10 0.00 1.08 0.00 0.00 40.66 42.86 3hpi h LEU 311 CO 0.05 1.31 0.92 0.00 -1.08 0.00 0.00 178.44 179.64 3hpi h ALA 312 N 0.66 2.90 -0.86 1.53 0.00 -0.37 0.62 119.26 123.74 3hpi h ALA 312 Ca -0.32 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hpi h ALA 312 Cb 2.02 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 3hpi h ALA 312 CO 0.09 -1.45 0.56 0.87 0.00 0.00 0.00 179.25 179.33 3hpi h LYS 313 N 0.11 0.93 -6.21 0.00 1.57 -1.75 -3.41 116.57 107.81 3hpi h LYS 313 Ca 0.77 -0.06 -0.58 0.00 -1.87 0.00 0.00 60.65 58.92 3hpi h LYS 313 Cb 2.57 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 34.68 3hpi h LYS 313 CO -0.28 0.61 1.28 -3.47 -0.57 0.00 0.00 179.45 177.02 3hpi n ASP 314 N -4.49 3.59 0.30 0.86 -0.08 0.21 -4.86 116.55 112.07 3hpi n ASP 314 Ca 0.13 0.70 0.18 0.00 -1.51 0.00 0.00 54.79 54.29 3hpi n ASP 314 Cb 0.21 -1.47 1.01 0.00 2.34 0.00 0.00 41.12 43.21 3hpi n ASP 314 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hpi h PRO 315 N 11.55 0.00 -0.14 -0.67 0.13 -1.88 0.28 132.00 141.27 3hpi h PRO 315 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 3hpi h PRO 315 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3hpi h PRO 315 CO 0.95 0.00 -0.49 0.00 -0.23 0.00 0.00 178.00 178.24 3hpi h ARG 316 N 0.00 0.37 -0.05 0.86 3.08 -1.89 -1.48 114.38 115.27 3hpi h ARG 316 Ca 0.01 -0.21 -0.19 0.00 0.07 0.00 0.00 59.98 59.66 3hpi h ARG 316 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hpi h ARG 316 CO -0.00 0.78 -0.79 0.82 -1.07 0.00 0.00 179.97 179.70 3hpi h ILE 317 N 0.29 1.40 -0.33 2.04 2.04 -1.28 -2.05 117.51 119.62 3hpi h ILE 317 Ca 0.01 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 3hpi h ILE 317 Cb 0.97 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3hpi h ILE 317 CO 0.08 0.68 0.17 0.00 0.00 0.00 0.00 178.15 179.08 3hpi h ALA 318 N 0.91 0.42 -0.98 1.87 0.00 -1.17 -1.17 119.26 119.13 3hpi h ALA 318 Ca -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hpi h ALA 318 Cb 1.39 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3hpi h ALA 318 CO 0.13 -0.03 0.65 0.00 0.00 0.00 0.00 179.25 180.00 3hpi h ALA 319 N 1.03 1.30 -0.46 0.00 0.00 -1.18 0.02 119.26 119.98 3hpi h ALA 319 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hpi h ALA 319 Cb 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hpi h ALA 319 CO -0.02 0.65 0.24 1.15 0.00 0.00 0.00 179.25 181.28 3hpi h THR 320 N 1.34 1.17 -0.55 0.00 2.02 -0.87 -2.00 112.91 114.02 3hpi h THR 320 Ca 0.36 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3hpi h THR 320 Cb -0.16 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3hpi h THR 320 CO -0.08 0.18 0.03 0.24 0.37 0.00 0.00 175.52 176.26 3hpi h MET 321 N 0.60 0.96 -0.32 6.66 2.86 -0.71 -0.41 114.93 124.56 3hpi h MET 321 Ca 0.16 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3hpi h MET 321 Cb 0.07 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3hpi h MET 321 CO -0.02 0.95 0.13 1.49 1.06 0.00 0.00 176.91 180.51 3hpi h GLU 322 N 0.84 0.27 -0.44 1.72 4.81 -0.79 0.19 114.58 121.18 3hpi h GLU 322 Ca 0.16 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3hpi h GLU 322 Cb 0.50 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3hpi h GLU 322 CO 0.02 0.18 0.06 -0.91 -0.73 0.00 0.00 179.01 177.64 3hpi h ASN 323 N 0.28 0.63 -0.50 1.04 2.35 -1.19 -2.57 115.58 115.62 3hpi h ASN 323 Ca 0.14 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3hpi h ASN 323 Cb 0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3hpi h ASN 323 CO -0.13 0.66 0.00 0.00 -1.65 0.00 0.00 177.43 176.31 3hpi h ALA 324 N 1.43 0.67 0.00 -0.83 0.00 -0.09 -2.16 119.26 118.27 3hpi h ALA 324 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hpi h ALA 324 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hpi h ALA 324 CO 0.00 0.47 -0.13 1.96 0.00 0.00 0.00 179.25 181.56 3hpi h GLN 325 N 0.74 0.00 0.00 0.00 4.20 -0.37 -1.94 115.11 117.74 3hpi h GLN 325 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hpi h GLN 325 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3hpi h GLN 325 CO 0.02 0.13 -0.54 0.87 -0.67 0.00 0.00 178.83 178.64 3hpi h LYS 326 N 0.00 0.00 0.00 1.46 1.57 -1.18 -3.46 116.57 114.96 3hpi h LYS 326 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hpi h LYS 326 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hpi h LYS 326 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 3hpi n GLY 327 N 1.21 1.71 3.28 3.86 0.00 -0.73 -4.62 105.19 109.90 3hpi n GLY 327 Ca 0.02 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 3hpi n GLY 327 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hpi s GLU 328 N 3.58 0.44 0.24 1.61 2.12 -0.75 -4.92 118.70 121.02 3hpi s GLU 328 Ca 0.00 0.62 -0.31 0.00 0.36 0.00 0.00 54.97 55.64 3hpi s GLU 328 Cb 0.00 0.15 -0.11 0.00 0.26 0.00 0.00 34.13 34.43 3hpi s GLU 328 CO 0.00 -0.09 1.58 -1.50 -0.54 0.00 0.00 175.26 174.71 3hpi s ILE 329 N 0.57 2.30 0.58 -3.70 1.10 -1.26 -0.63 121.20 120.16 3hpi s ILE 329 Ca -0.03 0.24 -0.19 0.00 -0.51 0.00 0.00 60.65 60.16 3hpi s ILE 329 Cb -0.05 -3.15 -0.04 0.00 0.15 0.00 0.00 42.46 39.37 3hpi s ILE 329 CO -0.03 0.03 1.17 -0.04 -2.11 0.00 0.00 174.94 173.95 3hpi s MET 330 N 0.16 3.12 0.66 3.50 -1.94 -0.84 -4.81 119.30 119.15 3hpi s MET 330 Ca 0.66 1.71 -0.11 0.00 -1.71 0.00 0.00 55.69 56.24 3hpi s MET 330 Cb -0.46 -1.96 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 3hpi s MET 330 CO 0.41 -1.06 1.05 -2.14 -0.01 0.00 0.00 175.02 173.27 3hpi s PRO 331 N -3.36 3.25 -0.14 2.03 0.02 -1.26 -4.83 135.00 130.71 3hpi s PRO 331 Ca 0.75 0.78 0.18 0.00 0.02 0.00 0.00 61.00 62.73 3hpi s PRO 331 Cb -0.27 -2.04 0.31 0.00 0.02 0.00 0.00 34.50 32.53 3hpi s PRO 331 CO 0.31 -0.83 1.17 0.27 -0.33 0.00 0.00 177.00 177.59 3hpi n ASN 332 N -2.93 2.34 -4.79 2.53 6.94 -1.26 -4.38 115.26 113.71 3hpi n ASN 332 Ca 0.07 -3.18 -0.32 0.00 -0.02 0.00 0.00 54.58 51.12 3hpi n ASN 332 Cb 0.54 -0.45 0.05 0.00 -2.36 0.00 0.00 39.78 37.57 3hpi n ASN 332 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3hpi s ILE 333 N -2.92 3.55 0.58 1.53 -4.36 -1.26 -1.93 121.20 116.39 3hpi s ILE 333 Ca 0.33 0.61 0.28 0.00 -0.26 0.00 0.00 60.65 61.62 3hpi s ILE 333 Cb 0.29 -3.17 0.37 0.00 1.25 0.00 0.00 42.46 41.20 3hpi s ILE 333 CO 0.02 -0.55 2.04 -0.65 0.24 0.00 0.00 174.94 176.04 3hpi h PRO 334 N -0.35 0.00 0.00 0.37 0.11 -1.90 -1.86 132.00 128.36 3hpi h PRO 334 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hpi h PRO 334 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hpi h PRO 334 CO 0.55 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.38 3hpi n GLN 335 N -3.84 0.12 0.07 1.05 3.00 -1.26 -3.54 117.38 112.98 3hpi n GLN 335 Ca 0.04 0.12 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 3hpi n GLN 335 Cb 0.43 -1.50 0.41 0.00 0.00 0.00 0.00 30.24 29.58 3hpi n GLN 335 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3hpi h MET 336 N 0.00 0.37 -0.72 -1.09 2.86 -1.65 -1.57 114.93 113.13 3hpi h MET 336 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3hpi h MET 336 Cb 0.29 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3hpi h MET 336 CO 0.00 0.36 0.41 0.66 1.06 0.00 0.00 176.91 179.40 3hpi h SER 337 N 0.36 0.89 -0.41 1.22 4.64 -1.81 -1.48 113.55 116.96 3hpi h SER 337 Ca 0.09 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3hpi h SER 337 Cb 0.17 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3hpi h SER 337 CO -0.00 0.71 0.05 0.00 -0.87 0.00 0.00 176.83 176.72 3hpi h ALA 338 N 1.21 0.55 0.18 5.18 0.00 -1.63 -1.83 119.26 122.93 3hpi h ALA 338 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hpi h ALA 338 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hpi h ALA 338 CO -0.04 0.28 -0.29 0.35 0.00 0.00 0.00 179.25 179.55 3hpi h PHE 339 N 0.54 -0.78 -0.77 0.00 3.57 -0.93 -0.82 116.94 117.75 3hpi h PHE 339 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hpi h PHE 339 Cb 0.40 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 3hpi h PHE 339 CO 0.03 -0.40 0.50 -1.49 -2.23 0.00 0.00 178.31 174.72 3hpi h TRP 340 N -0.55 0.95 -0.23 0.41 -0.00 -1.22 0.13 115.95 115.45 3hpi h TRP 340 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 3hpi h TRP 340 Cb 0.55 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 3hpi h TRP 340 CO -0.23 0.59 0.09 -0.92 -0.00 0.00 0.00 178.44 177.97 3hpi h TYR 341 N 1.02 0.34 -0.45 0.49 3.20 -1.18 0.41 116.97 120.81 3hpi h TYR 341 Ca 0.28 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3hpi h TYR 341 Cb -0.10 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3hpi h TYR 341 CO -0.02 0.37 0.14 0.00 -1.64 0.00 0.00 178.16 177.01 3hpi h ALA 342 N 0.93 0.58 -0.42 1.82 0.00 -0.86 -2.49 119.26 118.83 3hpi h ALA 342 Ca 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3hpi h ALA 342 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hpi h ALA 342 CO -0.01 0.24 -0.28 0.28 0.00 0.00 0.00 179.25 179.48 3hpi h VAL 343 N 0.58 1.27 -0.74 0.00 2.07 -0.91 -1.27 116.25 117.26 3hpi h VAL 343 Ca 0.14 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.28 3hpi h VAL 343 Cb 0.27 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3hpi h VAL 343 CO -0.00 0.49 0.43 -0.09 0.02 0.00 0.00 177.57 178.42 3hpi h ARG 344 N 0.77 0.77 -0.31 1.57 2.43 -0.83 -1.13 114.38 117.64 3hpi h ARG 344 Ca 0.09 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.04 3hpi h ARG 344 Cb 0.85 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3hpi h ARG 344 CO 0.07 0.51 -0.49 1.15 -1.51 0.00 0.00 179.97 179.71 3hpi h THR 345 N 0.80 1.28 -0.19 0.20 2.02 -1.26 -2.65 112.91 113.10 3hpi h THR 345 Ca 0.33 -1.67 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3hpi h THR 345 Cb 0.18 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3hpi h THR 345 CO -0.18 0.55 0.08 0.00 0.37 0.00 0.00 175.52 176.35 3hpi h ALA 346 N 0.76 0.25 -0.73 6.16 0.00 -0.72 -1.41 119.26 123.57 3hpi h ALA 346 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hpi h ALA 346 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3hpi h ALA 346 CO 0.11 -0.18 0.32 0.28 0.00 0.00 0.00 179.25 179.78 3hpi h VAL 347 N 0.17 1.25 -0.46 0.00 2.07 -1.26 -0.86 116.25 117.15 3hpi h VAL 347 Ca 0.06 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3hpi h VAL 347 Cb 0.15 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hpi h VAL 347 CO -0.01 0.30 0.11 0.40 0.02 0.00 0.00 177.57 178.40 3hpi h ILE 348 N 1.04 1.24 -0.21 4.57 2.04 -1.36 -0.74 117.51 124.08 3hpi h ILE 348 Ca 0.25 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 3hpi h ILE 348 Cb 0.17 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3hpi h ILE 348 CO -0.03 0.29 -0.29 0.78 0.00 0.00 0.00 178.15 178.91 3hpi h ASN 349 N 0.62 0.61 -0.60 1.72 2.35 -1.10 -1.39 115.58 117.79 3hpi h ASN 349 Ca 0.15 -0.51 0.01 0.00 -0.55 0.00 0.00 56.30 55.39 3hpi h ASN 349 Cb 0.32 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3hpi h ASN 349 CO 0.00 1.01 0.39 0.00 -1.65 0.00 0.00 177.43 177.18 3hpi h ALA 350 N 0.62 0.76 0.00 -0.83 0.00 -1.14 -1.90 119.26 116.78 3hpi h ALA 350 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hpi h ALA 350 Cb 0.87 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hpi h ALA 350 CO 0.07 0.16 -0.40 0.00 0.00 0.00 0.00 179.25 179.08 3hpi h ALA 351 N 1.23 1.05 -0.24 0.00 0.00 -1.10 -3.01 119.26 117.19 3hpi h ALA 351 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hpi h ALA 351 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hpi h ALA 351 CO -0.06 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 3hpi n SER 352 N -3.63 2.55 0.00 0.00 3.41 -0.53 -4.79 113.62 110.62 3hpi n SER 352 Ca -0.01 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3hpi n SER 352 Cb 0.50 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3hpi n SER 352 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hpi n GLY 353 N 1.31 3.00 0.00 5.00 0.00 -0.74 -4.85 105.19 108.91 3hpi n GLY 353 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hpi n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpi n ARG 354 N -1.67 0.00 -3.53 1.61 1.74 -1.02 -4.57 116.66 109.23 3hpi n ARG 354 Ca 0.00 0.25 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 3hpi n ARG 354 Cb 0.00 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 3hpi n ARG 354 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hpi s GLN 355 N -2.41 0.99 0.61 5.56 -0.21 -1.13 -4.97 119.66 118.08 3hpi s GLN 355 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.47 3hpi s GLN 355 Cb 0.00 0.47 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 3hpi s GLN 355 CO 0.00 -0.31 1.02 0.95 -2.12 0.00 0.00 175.29 174.83 3hpi s THR 356 N -1.28 4.65 0.16 -0.19 -4.23 -1.26 -4.01 115.64 109.47 3hpi s THR 356 Ca -0.09 0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 3hpi s THR 356 Cb -0.00 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.08 3hpi s THR 356 CO 0.08 -1.06 1.69 0.58 -0.54 0.00 0.00 174.62 175.37 3hpi h VAL 357 N -0.14 0.70 -0.19 2.29 2.07 -1.96 -1.63 116.25 117.39 3hpi h VAL 357 Ca -0.44 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3hpi h VAL 357 Cb 1.19 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3hpi h VAL 357 CO 0.62 0.01 -0.11 0.44 0.02 0.00 0.00 177.57 178.55 3hpi h ASP 358 N 0.08 -0.35 0.54 0.57 3.32 -1.95 -1.72 116.42 116.91 3hpi h ASP 358 Ca 0.18 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3hpi h ASP 358 Cb 0.26 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3hpi h ASP 358 CO -0.32 -0.14 -0.50 -0.33 -1.72 0.00 0.00 179.24 176.22 3hpi h GLU 359 N -0.10 -0.99 -0.76 3.56 5.08 -1.85 -1.03 114.58 118.48 3hpi h GLU 359 Ca 0.11 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.66 3hpi h GLU 359 Cb 0.26 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 29.60 3hpi h GLU 359 CO -0.25 -0.66 -0.38 0.00 -1.00 0.00 0.00 179.01 176.72 3hpi h ALA 360 N -0.96 -0.03 -0.52 3.43 0.00 -1.10 -0.36 119.26 119.73 3hpi h ALA 360 Ca -0.07 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3hpi h ALA 360 Cb 0.88 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3hpi h ALA 360 CO -0.04 -0.69 -0.09 -0.07 0.00 0.00 0.00 179.25 178.35 3hpi h LEU 361 N -0.10 0.99 -0.34 0.00 3.38 -1.25 -1.70 115.31 116.28 3hpi h LEU 361 Ca 0.27 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3hpi h LEU 361 Cb 0.57 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3hpi h LEU 361 CO -0.81 1.10 0.09 0.50 0.09 0.00 0.00 178.44 179.41 3hpi h LYS 362 N 0.85 0.22 -0.59 1.13 3.64 0.16 0.80 116.57 122.79 3hpi h LYS 362 Ca 0.14 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3hpi h LYS 362 Cb 0.65 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3hpi h LYS 362 CO 0.05 0.14 0.15 -0.44 -2.27 0.00 0.00 179.45 177.08 3hpi h ASP 363 N 0.22 0.84 0.04 4.20 3.32 -0.97 -0.46 116.42 123.61 3hpi h ASP 363 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hpi h ASP 363 Cb 0.16 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3hpi h ASP 363 CO -0.19 0.82 -0.02 0.00 -1.72 0.00 0.00 179.24 178.13 3hpi h ALA 364 N 1.30 -0.06 -0.26 3.45 0.00 -0.70 -1.53 119.26 121.46 3hpi h ALA 364 Ca 0.19 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hpi h ALA 364 Cb 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3hpi h ALA 364 CO -0.00 -0.43 -0.06 0.37 0.00 0.00 0.00 179.25 179.13 3hpi h GLN 365 N -0.27 0.01 -0.58 0.00 5.75 -0.64 0.01 115.11 119.39 3hpi h GLN 365 Ca -0.01 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3hpi h GLN 365 Cb 0.24 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 3hpi h GLN 365 CO 0.01 0.00 0.35 1.15 -2.65 0.00 0.00 178.83 177.69 3hpi h THR 366 N 0.01 1.06 0.00 2.39 2.02 -1.02 -1.87 112.91 115.50 3hpi h THR 366 Ca 0.12 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 3hpi h THR 366 Cb 0.19 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3hpi h THR 366 CO -0.26 0.13 -0.38 -0.09 0.37 0.00 0.00 175.52 175.28 3hpi h ARG 367 N 0.69 0.00 -0.01 6.66 2.43 -0.72 0.35 114.38 123.78 3hpi h ARG 367 Ca 0.23 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 3hpi h ARG 367 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3hpi h ARG 367 CO -0.10 0.38 -0.84 0.82 -1.51 0.00 0.00 179.97 178.72 3hpi h ILE 368 N 0.00 1.45 -0.00 1.20 2.04 -0.47 -3.28 117.51 118.45 3hpi h ILE 368 Ca -0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3hpi h ILE 368 Cb 0.75 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3hpi h ILE 368 CO 0.05 0.72 -0.85 0.35 0.00 0.00 0.00 178.15 178.42 3hpi n THR 369 N -3.72 0.00 0.00 -0.27 -2.24 -0.75 -4.95 114.28 102.35 3hpi n THR 369 Ca -0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3hpi n THR 369 Cb 0.78 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 3hpi n THR 369 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79