#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1a n GLN 4 N 0.00 2.05 0.26 1.64 6.02 -1.26 -4.89 117.38 121.19 3i1a n GLN 4 Ca 0.00 0.72 0.14 0.00 -0.01 0.00 0.00 57.00 57.85 3i1a n GLN 4 Cb 0.00 -2.33 0.65 0.00 1.02 0.00 0.00 30.24 29.58 3i1a n GLN 4 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3i1a h PRO 5 N 3.40 0.00 -4.02 -1.09 0.13 -2.01 -3.45 132.00 124.96 3i1a h PRO 5 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 3i1a h PRO 5 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 3i1a h PRO 5 CO 0.69 0.11 -0.38 0.96 -0.23 0.00 0.00 178.00 179.16 3i1a s ILE 6 N -3.82 0.05 0.10 -3.56 -4.36 -1.26 -5.15 121.20 103.21 3i1a s ILE 6 Ca -0.00 -1.55 -0.19 0.00 -0.26 0.00 0.00 60.65 58.65 3i1a s ILE 6 Cb 0.11 -2.01 -0.07 0.00 1.25 0.00 0.00 42.46 41.73 3i1a s ILE 6 CO 0.58 -0.23 0.58 -1.58 0.24 0.00 0.00 174.94 174.53 3i1a s GLN 7 N -4.01 4.18 0.34 0.37 -0.44 -1.26 -4.97 119.66 113.87 3i1a s GLN 7 Ca 0.22 0.72 0.15 0.00 -2.50 0.00 0.00 55.36 53.95 3i1a s GLN 7 Cb 0.04 -3.16 1.10 0.00 -1.64 0.00 0.00 33.01 29.34 3i1a s GLN 7 CO 0.03 0.59 1.65 0.00 0.50 0.00 0.00 175.29 178.07 3i1a h ALA 8 N 4.29 1.95 0.00 1.58 0.00 -1.99 0.39 119.26 125.48 3i1a h ALA 8 Ca -0.49 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3i1a h ALA 8 Cb 1.21 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3i1a h ALA 8 CO 0.64 -0.61 -0.03 0.37 0.00 0.00 0.00 179.25 179.62 3i1a h GLN 9 N 0.28 0.00 0.00 0.00 5.75 -1.93 -0.93 115.11 118.28 3i1a h GLN 9 Ca 0.74 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.24 3i1a h GLN 9 Cb 1.71 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.26 3i1a h GLN 9 CO -0.63 0.03 0.00 1.96 -2.65 0.00 0.00 178.83 177.55 3i1a h GLN 10 N 0.00 0.00 0.00 1.69 4.20 -0.60 -2.28 115.11 118.12 3i1a h GLN 10 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3i1a h GLN 10 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3i1a h GLN 10 CO 0.00 0.00 -0.31 -0.07 -0.67 0.00 0.00 178.83 177.78 3i1a h LEU 11 N 0.00 0.00 0.31 1.46 3.38 -1.26 -2.33 115.31 116.86 3i1a h LEU 11 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i1a h LEU 11 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3i1a h LEU 11 CO 0.00 0.31 -0.15 0.40 0.09 0.00 0.00 178.44 179.09 3i1a h ILE 12 N 0.00 0.70 -0.33 1.22 2.04 -1.56 0.19 117.51 119.77 3i1a h ILE 12 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3i1a h ILE 12 Cb 0.68 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3i1a h ILE 12 CO 0.04 0.01 0.22 -0.08 0.00 0.00 0.00 178.15 178.33 3i1a h GLU 13 N -0.43 0.44 -0.65 2.37 4.81 -1.66 -2.03 114.58 117.44 3i1a h GLU 13 Ca -0.04 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3i1a h GLU 13 Cb 0.33 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3i1a h GLU 13 CO 0.07 0.30 0.22 -0.07 -0.73 0.00 0.00 179.01 178.80 3i1a h LEU 14 N 0.45 0.92 -0.85 1.64 3.38 -1.23 -1.03 115.31 118.59 3i1a h LEU 14 Ca 0.12 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3i1a h LEU 14 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3i1a h LEU 14 CO -0.03 0.87 -0.34 -0.07 0.09 0.00 0.00 178.44 178.96 3i1a h LEU 15 N 0.92 0.47 0.18 1.67 3.38 -0.53 -1.27 115.31 120.13 3i1a h LEU 15 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i1a h LEU 15 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i1a h LEU 15 CO -0.01 0.78 -0.09 0.50 0.09 0.00 0.00 178.44 179.71 3i1a h LYS 16 N 0.39 -0.24 0.07 1.13 1.63 -1.10 -1.02 116.57 117.43 3i1a h LYS 16 Ca 0.05 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3i1a h LYS 16 Cb 0.78 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 3i1a h LYS 16 CO 0.06 0.09 -0.16 0.28 -3.45 0.00 0.00 179.45 176.28 3i1a h VAL 17 N -0.59 0.63 0.00 2.00 2.07 -1.16 0.37 116.25 119.56 3i1a h VAL 17 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i1a h VAL 17 Cb 0.44 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3i1a h VAL 17 CO 0.04 0.00 -1.00 1.41 0.02 0.00 0.00 177.57 178.04 3i1a n HIS 18 N -5.29 0.90 0.00 1.57 8.25 -0.48 -4.40 115.22 115.77 3i1a n HIS 18 Ca -0.06 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3i1a n HIS 18 Cb 0.20 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.40 3i1a n HIS 18 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i1a n TYR 19 N -2.61 0.00 -1.55 4.41 4.02 -0.47 -1.11 117.16 119.84 3i1a n TYR 19 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3i1a n TYR 19 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 3i1a n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1a n GLY 20 N 1.34 0.72 3.65 2.72 0.00 0.12 -4.66 105.19 109.08 3i1a n GLY 20 Ca 0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 3i1a n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1a s ILE 21 N -2.36 4.52 -0.45 -0.61 1.01 -1.00 -4.94 121.20 117.37 3i1a s ILE 21 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 3i1a s ILE 21 Cb 0.00 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.53 3i1a s ILE 21 CO 0.00 0.54 0.60 -0.62 0.00 0.00 0.00 174.94 175.46 3i1a s ASP 22 N -0.24 6.28 -0.12 3.58 -1.08 -1.26 -2.79 116.67 121.04 3i1a s ASP 22 Ca 0.07 -0.53 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3i1a s ASP 22 Cb -0.12 -2.30 -0.03 0.00 -1.46 0.00 0.00 42.92 39.01 3i1a s ASP 22 CO 0.02 -0.77 0.01 -0.63 0.52 0.00 0.00 175.17 174.31 3i1a s ILE 23 N 2.67 4.33 -0.48 4.11 -1.09 -1.26 -4.21 121.20 125.26 3i1a s ILE 23 Ca 0.19 -0.22 0.15 0.00 -2.23 0.00 0.00 60.65 58.54 3i1a s ILE 23 Cb -0.16 -2.86 -0.19 0.00 -1.58 0.00 0.00 42.46 37.67 3i1a s ILE 23 CO 0.16 0.56 0.54 0.00 -1.23 0.00 0.00 174.94 174.97 3i1a n HIS 24 N 2.65 0.00 -3.68 3.97 1.44 -0.17 -4.90 115.22 114.54 3i1a n HIS 24 Ca -0.18 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.44 3i1a n HIS 24 Cb 0.53 -0.12 -0.09 0.00 0.12 0.00 0.00 29.99 30.43 3i1a n HIS 24 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3i1a s THR 25 N -2.65 -0.07 -0.02 0.61 2.01 -1.22 -5.03 115.64 109.28 3i1a s THR 25 Ca 0.02 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.11 3i1a s THR 25 Cb 0.11 -0.74 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 3i1a s THR 25 CO 0.63 0.03 -0.08 0.00 -0.69 0.00 0.00 174.62 174.51 3i1a s ALA 26 N 1.56 0.75 -0.03 7.40 0.00 -1.26 -0.73 121.76 129.46 3i1a s ALA 26 Ca -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3i1a s ALA 26 Cb -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3i1a s ALA 26 CO -0.15 0.15 0.07 -1.14 0.00 0.00 0.00 175.76 174.68 3i1a s GLN 27 N 0.03 0.05 0.29 0.00 0.74 0.24 -4.71 119.66 116.29 3i1a s GLN 27 Ca -0.00 0.15 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 3i1a s GLN 27 Cb -0.06 -0.05 -0.10 0.00 1.10 0.00 0.00 33.01 33.90 3i1a s GLN 27 CO -0.00 -0.06 1.31 0.12 -0.55 0.00 0.00 175.29 176.11 3i1a s PHE 28 N 0.42 3.13 -0.40 1.67 5.36 -1.26 -0.66 117.98 126.23 3i1a s PHE 28 Ca -0.03 1.33 -0.13 0.00 -0.96 0.00 0.00 56.93 57.14 3i1a s PHE 28 Cb -0.05 -3.66 0.03 0.00 -0.34 0.00 0.00 43.02 39.01 3i1a s PHE 28 CO -0.01 -1.90 0.27 0.42 -1.46 0.00 0.00 175.22 172.53 3i1a s ILE 29 N -0.69 4.88 0.35 3.12 1.01 0.24 -4.86 121.20 125.25 3i1a s ILE 29 Ca 0.52 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3i1a s ILE 29 Cb -0.39 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 3i1a s ILE 29 CO 0.47 -0.33 1.40 -1.58 0.00 0.00 0.00 174.94 174.91 3i1a s GLN 30 N 1.60 4.24 0.00 2.79 2.00 -1.26 -3.13 119.66 125.89 3i1a s GLN 30 Ca 0.03 2.38 0.00 0.00 -2.00 0.00 0.00 55.36 55.78 3i1a s GLN 30 Cb -0.20 -3.03 0.00 0.00 0.80 0.00 0.00 33.01 30.58 3i1a s GLN 30 CO 0.08 -0.36 0.00 0.41 -0.50 0.00 0.00 175.29 174.92 3i1a n GLY 31 N 0.76 0.00 0.07 2.59 0.00 -1.26 -4.75 105.19 102.60 3i1a n GLY 31 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3i1a n GLY 31 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1a h GLY 32 N 0.00 0.13 -1.27 -0.02 0.00 -1.92 -3.44 103.07 96.55 3i1a h GLY 32 Ca 0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 47.33 46.83 3i1a h GLY 32 CO 0.00 0.05 0.18 0.00 0.00 0.00 0.00 176.54 176.77 3i1a s ALA 33 N -6.08 3.30 0.02 3.60 0.00 -1.26 -5.01 121.76 116.33 3i1a s ALA 33 Ca -0.13 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.74 3i1a s ALA 33 Cb 0.07 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 3i1a s ALA 33 CO 0.68 -1.27 -0.04 0.16 0.00 0.00 0.00 175.76 175.28 3i1a s ASP 34 N -4.54 0.46 1.80 0.00 -4.77 -1.26 -4.98 116.67 103.39 3i1a s ASP 34 Ca 0.61 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.55 3i1a s ASP 34 Cb -0.10 0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.75 3i1a s ASP 34 CO 0.44 -0.12 0.00 0.41 0.70 0.00 0.00 175.17 176.60 3i1a n THR 35 N 2.21 0.00 -2.80 2.11 -1.04 -1.26 -3.84 114.28 109.66 3i1a n THR 35 Ca -0.18 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 3i1a n THR 35 Cb 0.57 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3i1a n THR 35 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3i1a s ASN 36 N -4.00 6.93 -0.26 8.00 2.47 -1.26 -4.89 114.94 121.93 3i1a s ASN 36 Ca 0.00 -2.66 -0.26 0.00 0.42 0.00 0.00 52.86 50.35 3i1a s ASN 36 Cb 0.00 -2.47 0.14 0.00 -1.45 0.00 0.00 41.25 37.47 3i1a s ASN 36 CO 0.00 -0.95 1.13 0.00 -3.72 0.00 0.00 177.10 173.56 3i1a s ALA 37 N 2.73 -2.03 -0.09 1.71 0.00 -1.25 -4.61 121.76 118.23 3i1a s ALA 37 Ca 0.46 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3i1a s ALA 37 Cb -0.00 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3i1a s ALA 37 CO 0.02 -0.22 -0.07 -0.06 0.00 0.00 0.00 175.76 175.42 3i1a s PHE 38 N -0.13 1.28 -0.00 0.00 0.40 -0.54 -4.37 117.98 114.62 3i1a s PHE 38 Ca 0.03 -0.55 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3i1a s PHE 38 Cb -0.04 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 3i1a s PHE 38 CO -0.07 -0.39 0.07 0.00 0.70 0.00 0.00 175.22 175.53 3i1a s ALA 39 N 1.38 3.55 0.03 5.36 0.00 -1.26 -1.04 121.76 129.78 3i1a s ALA 39 Ca -0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i1a s ALA 39 Cb -0.14 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 3i1a s ALA 39 CO -0.04 0.68 -0.03 0.71 0.00 0.00 0.00 175.76 177.09 3i1a s TYR 40 N -1.18 0.31 -0.23 0.00 1.51 0.34 -0.59 117.35 117.51 3i1a s TYR 40 Ca 0.22 -0.64 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 3i1a s TYR 40 Cb -0.12 -0.23 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 3i1a s TYR 40 CO 0.13 -0.23 0.02 -1.14 -1.11 0.00 0.00 175.55 173.22 3i1a s GLN 41 N -1.99 3.56 -0.13 -0.62 0.74 0.17 -0.52 119.66 120.87 3i1a s GLN 41 Ca -0.11 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.78 3i1a s GLN 41 Cb -0.06 -3.16 0.02 0.00 1.10 0.00 0.00 33.01 30.90 3i1a s GLN 41 CO -0.03 -0.14 -0.15 0.00 -0.55 0.00 0.00 175.29 174.42 3i1a s ALA 42 N 1.40 1.80 -0.12 1.58 0.00 0.70 -0.60 121.76 126.53 3i1a s ALA 42 Ca 0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3i1a s ALA 42 Cb -0.15 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 3i1a s ALA 42 CO 0.01 -0.20 -0.04 -0.51 0.00 0.00 0.00 175.76 175.03 3i1a s ASP 43 N 1.18 4.87 0.10 0.00 1.01 0.09 0.14 116.67 124.07 3i1a s ASP 43 Ca -0.02 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.22 3i1a s ASP 43 Cb -0.14 -1.56 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 3i1a s ASP 43 CO -0.05 0.26 0.21 -0.94 0.21 0.00 0.00 175.17 174.86 3i1a s SER 44 N -0.21 6.17 0.43 0.27 1.04 0.20 -1.00 113.70 120.60 3i1a s SER 44 Ca 0.04 0.16 0.21 0.00 0.48 0.00 0.00 55.95 56.84 3i1a s SER 44 Cb -0.13 -1.83 1.13 0.00 0.10 0.00 0.00 66.02 65.29 3i1a s SER 44 CO 0.02 0.12 1.59 -0.33 0.98 0.00 0.00 173.24 175.62 3i1a h GLU 45 N 2.71 0.00 0.00 4.02 5.08 -1.97 -1.48 114.58 122.95 3i1a h GLU 45 Ca -0.47 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.55 3i1a h GLU 45 Cb 1.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 3i1a h GLU 45 CO 0.71 0.00 -2.29 0.43 -1.00 0.00 0.00 179.01 176.86 3i1a n SER 46 N -2.36 1.23 -1.35 1.42 7.64 -1.26 -5.08 113.62 113.87 3i1a n SER 46 Ca -0.01 -0.06 -0.03 0.00 1.01 0.00 0.00 58.87 59.78 3i1a n SER 46 Cb 0.26 0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 3i1a n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3i1a n LYS 47 N -2.90 0.11 -4.66 1.43 5.02 -0.56 -5.17 118.16 111.44 3i1a n LYS 47 Ca -0.35 -0.50 -0.22 0.00 -2.02 0.00 0.00 58.31 55.22 3i1a n LYS 47 Cb 1.03 0.46 -0.15 0.00 -0.02 0.00 0.00 35.03 36.35 3i1a n LYS 47 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1a s SER 48 N -1.38 1.68 0.07 4.39 0.15 -1.26 0.58 113.70 117.93 3i1a s SER 48 Ca 0.05 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.52 3i1a s SER 48 Cb -0.00 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3i1a s SER 48 CO 0.04 0.17 -0.21 -0.31 1.20 0.00 0.00 173.24 174.13 3i1a s TYR 49 N -0.32 1.81 -0.27 3.44 2.02 0.38 -0.76 117.35 123.66 3i1a s TYR 49 Ca 0.05 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.30 3i1a s TYR 49 Cb -0.06 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3i1a s TYR 49 CO -0.00 0.15 0.05 0.12 -1.57 0.00 0.00 175.55 174.29 3i1a s PHE 50 N -0.97 3.10 -0.10 2.71 2.19 0.11 -0.22 117.98 124.80 3i1a s PHE 50 Ca 0.07 -0.89 -0.00 0.00 0.33 0.00 0.00 56.93 56.43 3i1a s PHE 50 Cb -0.09 -2.21 -0.03 0.00 -1.31 0.00 0.00 43.02 39.38 3i1a s PHE 50 CO 0.03 -0.54 -0.08 0.42 1.83 0.00 0.00 175.22 176.89 3i1a s ILE 51 N 1.51 3.59 -0.13 3.12 -1.09 0.32 -0.62 121.20 127.90 3i1a s ILE 51 Ca 0.04 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 3i1a s ILE 51 Cb -0.16 -2.50 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3i1a s ILE 51 CO 0.01 0.56 -0.21 -0.54 -1.23 0.00 0.00 174.94 173.53 3i1a s LYS 52 N -0.30 2.90 -0.11 2.79 1.02 0.05 -0.50 119.74 125.59 3i1a s LYS 52 Ca 0.04 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 3i1a s LYS 52 Cb -0.13 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 3i1a s LYS 52 CO 0.02 0.03 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.89 3i1a s LEU 53 N 0.72 3.01 -0.04 3.17 1.43 -0.21 -0.40 118.68 126.35 3i1a s LEU 53 Ca -0.10 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3i1a s LEU 53 Cb -0.16 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3i1a s LEU 53 CO 0.01 0.24 -0.09 -0.54 0.23 0.00 0.00 176.35 176.20 3i1a s LYS 54 N -0.06 1.18 0.62 1.70 1.02 -0.76 -1.47 119.74 121.97 3i1a s LYS 54 Ca -0.01 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.53 3i1a s LYS 54 Cb -0.14 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 3i1a s LYS 54 CO 0.03 0.03 1.16 0.71 -0.92 0.00 0.00 175.35 176.36 3i1a s TYR 55 N 0.57 2.46 0.00 3.18 2.02 -1.26 -0.18 117.35 124.14 3i1a s TYR 55 Ca -0.10 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 3i1a s TYR 55 Cb -0.13 -3.36 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 3i1a s TYR 55 CO 0.02 -1.99 0.00 0.41 -1.57 0.00 0.00 175.55 172.42 3i1a n GLY 56 N 0.16 2.25 0.07 0.71 0.00 -0.22 -4.78 105.19 103.38 3i1a n GLY 56 Ca 0.12 -1.94 0.03 0.00 0.00 0.00 0.00 46.02 44.24 3i1a n GLY 56 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i1a n TYR 57 N 1.44 0.00 -2.57 1.61 0.18 -1.26 -4.06 117.16 112.50 3i1a n TYR 57 Ca 0.00 -0.56 -0.30 0.00 1.88 0.00 0.00 57.90 58.92 3i1a n TYR 57 Cb 0.00 -0.08 -0.02 0.00 -0.38 0.00 0.00 39.34 38.86 3i1a n TYR 57 CO 0.00 0.00 0.00 -3.38 -2.08 0.00 0.00 176.86 171.40 3i1a s HIS 58 N -1.40 3.51 -0.08 -3.48 -3.43 -1.26 -5.01 115.29 104.15 3i1a s HIS 58 Ca 0.10 1.11 -0.30 0.00 -0.80 0.00 0.00 55.06 55.18 3i1a s HIS 58 Cb 0.09 -2.52 -0.04 0.00 -1.43 0.00 0.00 32.58 28.68 3i1a s HIS 58 CO 0.01 -0.28 1.50 -0.51 -2.00 0.00 0.00 174.74 173.46 3i1a s ASP 59 N -3.49 6.78 -0.10 7.38 1.01 -1.26 -4.99 116.67 122.00 3i1a s ASP 59 Ca 0.52 2.06 -0.25 0.00 0.71 0.00 0.00 52.55 55.59 3i1a s ASP 59 Cb -0.10 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3i1a s ASP 59 CO 0.38 -0.85 0.79 -1.61 0.21 0.00 0.00 175.17 174.09 3i1a s GLU 60 N 3.62 4.39 0.34 8.23 0.41 -1.26 -4.94 118.70 129.49 3i1a s GLU 60 Ca 0.66 1.01 0.03 0.00 -0.41 0.00 0.00 54.97 56.26 3i1a s GLU 60 Cb -0.30 -3.51 0.65 0.00 -1.78 0.00 0.00 34.13 29.19 3i1a s GLU 60 CO 0.25 -0.13 1.97 0.97 -0.49 0.00 0.00 175.26 177.83 3i1a h ILE 61 N 4.96 1.09 -0.46 -1.63 6.09 -1.93 -1.86 117.51 123.77 3i1a h ILE 61 Ca -0.36 -0.30 0.08 0.00 -1.37 0.00 0.00 64.86 62.91 3i1a h ILE 61 Cb 1.17 0.15 -0.07 0.00 0.47 0.00 0.00 36.82 38.55 3i1a h ILE 61 CO 0.79 0.16 0.06 -1.13 -3.07 0.00 0.00 178.15 174.95 3i1a h ASN 62 N 0.87 -0.07 -0.20 2.19 -0.73 -1.79 -0.34 115.58 115.51 3i1a h ASN 62 Ca 0.30 0.09 -0.12 0.00 1.87 0.00 0.00 56.30 58.44 3i1a h ASN 62 Cb 0.09 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 3i1a h ASN 62 CO -0.09 -0.00 -0.28 -0.07 -0.37 0.00 0.00 177.43 176.62 3i1a h LEU 63 N 0.18 0.70 -0.48 0.34 3.38 -1.68 -0.29 115.31 117.46 3i1a h LEU 63 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3i1a h LEU 63 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3i1a h LEU 63 CO -0.33 0.95 0.15 0.28 0.09 0.00 0.00 178.44 179.58 3i1a h SER 64 N 0.59 0.70 -0.06 -0.43 0.02 -0.86 -1.28 113.55 112.23 3i1a h SER 64 Ca 0.07 -0.21 -0.21 0.00 -0.84 0.00 0.00 61.79 60.61 3i1a h SER 64 Cb 0.78 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3i1a h SER 64 CO 0.06 0.72 -0.73 0.40 -1.14 0.00 0.00 176.83 176.14 3i1a h ILE 65 N 0.64 1.30 -0.78 3.27 1.08 -0.94 -1.88 117.51 120.21 3i1a h ILE 65 Ca 0.15 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 62.64 3i1a h ILE 65 Cb 0.27 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 3i1a h ILE 65 CO -0.00 0.62 0.44 0.40 -0.69 0.00 0.00 178.15 178.92 3i1a h ILE 66 N 0.49 1.23 -0.35 -0.67 1.08 -0.99 -0.36 117.51 117.95 3i1a h ILE 66 Ca -0.04 -0.55 -0.05 0.00 -0.39 0.00 0.00 64.86 63.84 3i1a h ILE 66 Cb 1.34 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3i1a h ILE 66 CO 0.15 0.25 0.03 -0.09 -0.69 0.00 0.00 178.15 177.79 3i1a h ARG 67 N 1.07 0.60 -0.53 2.37 2.43 -1.18 0.06 114.38 119.21 3i1a h ARG 67 Ca 0.28 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3i1a h ARG 67 Cb 0.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3i1a h ARG 67 CO -0.05 0.69 0.33 1.25 -1.51 0.00 0.00 179.97 180.69 3i1a h LEU 68 N 0.42 0.56 -0.70 3.80 5.85 -0.81 0.36 115.31 124.79 3i1a h LEU 68 Ca 0.10 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3i1a h LEU 68 Cb 0.41 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3i1a h LEU 68 CO 0.01 0.40 0.00 -0.07 -0.34 0.00 0.00 178.44 178.44 3i1a h LEU 69 N 0.67 0.98 0.24 2.25 3.38 -0.96 -0.67 115.31 121.21 3i1a h LEU 69 Ca 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3i1a h LEU 69 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3i1a h LEU 69 CO -0.07 1.04 -0.16 -0.74 0.09 0.00 0.00 178.44 178.59 3i1a h HIS 70 N 0.93 -0.42 0.00 1.13 2.76 -0.29 -1.96 115.15 117.29 3i1a h HIS 70 Ca 0.17 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3i1a h HIS 70 Cb 0.53 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3i1a h HIS 70 CO 0.04 -0.25 -0.18 -0.44 -1.30 0.00 0.00 177.93 175.80 3i1a h ASP 71 N -0.40 0.00 0.73 3.26 5.19 -0.88 -2.15 116.42 122.17 3i1a h ASP 71 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3i1a h ASP 71 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3i1a h ASP 71 CO 0.01 0.18 -0.00 -1.20 -3.12 0.00 0.00 179.24 175.11 3i1a n SER 72 N -3.49 0.00 0.00 6.45 7.64 -0.26 -4.93 113.62 119.03 3i1a n SER 72 Ca -0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3i1a n SER 72 Cb 0.34 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3i1a n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1a n GLY 73 N 1.36 0.71 3.71 0.23 0.00 -0.81 -5.04 105.19 105.36 3i1a n GLY 73 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3i1a n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1a n ILE 74 N -2.00 0.09 -0.06 -0.61 -0.00 -0.80 -4.89 119.36 111.10 3i1a n ILE 74 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 62.75 62.68 3i1a n ILE 74 Cb 0.00 -2.03 -0.15 0.00 -0.00 0.00 0.00 39.64 37.46 3i1a n ILE 74 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3i1a n LYS 75 N 4.40 0.67 -0.87 0.38 5.02 -1.26 -4.64 118.16 121.86 3i1a n LYS 75 Ca 0.17 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3i1a n LYS 75 Cb 0.36 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.65 3i1a n LYS 75 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i1a n GLU 76 N -2.71 1.73 -4.23 1.97 4.71 -1.26 -4.80 120.64 116.05 3i1a n GLU 76 Ca -0.23 -0.77 -0.17 0.00 -0.01 0.00 0.00 57.16 55.98 3i1a n GLU 76 Cb 1.01 -1.78 -0.14 0.00 -1.01 0.00 0.00 31.44 29.52 3i1a n GLU 76 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3i1a s ILE 77 N 0.86 0.62 -0.73 -3.67 -1.09 -1.26 -1.09 121.20 114.83 3i1a s ILE 77 Ca 0.51 -0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 58.18 3i1a s ILE 77 Cb 0.25 -0.56 0.09 0.00 -1.58 0.00 0.00 42.46 40.65 3i1a s ILE 77 CO 0.00 0.03 1.00 -0.63 -1.23 0.00 0.00 174.94 174.11 3i1a s ILE 78 N -0.49 4.45 0.47 2.92 1.01 -1.26 -4.99 121.20 123.30 3i1a s ILE 78 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.75 3i1a s ILE 78 Cb -0.05 -4.71 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 3i1a s ILE 78 CO 0.00 -1.46 0.94 -0.36 0.00 0.00 0.00 174.94 174.06 3i1a s PHE 79 N 3.64 3.41 0.79 3.97 0.40 -1.26 -5.05 117.98 123.88 3i1a s PHE 79 Ca 0.25 1.44 -0.12 0.00 -0.60 0.00 0.00 56.93 57.89 3i1a s PHE 79 Cb -0.14 -2.75 0.07 0.00 0.51 0.00 0.00 43.02 40.71 3i1a s PHE 79 CO 0.04 -0.25 1.14 -2.14 0.70 0.00 0.00 175.22 174.71 3i1a s PRO 80 N -3.76 1.96 0.25 0.24 0.02 -1.26 -4.71 135.00 127.74 3i1a s PRO 80 Ca 0.58 1.45 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 3i1a s PRO 80 Cb -0.10 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3i1a s PRO 80 CO 0.26 -1.91 1.16 0.42 -0.33 0.00 0.00 177.00 176.59 3i1a s ILE 81 N -2.53 3.43 0.39 2.83 -1.09 0.30 -4.97 121.20 119.56 3i1a s ILE 81 Ca 0.67 1.35 -0.25 0.00 -2.23 0.00 0.00 60.65 60.18 3i1a s ILE 81 Cb -0.22 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 3i1a s ILE 81 CO 0.52 0.28 1.12 -1.00 -1.23 0.00 0.00 174.94 174.63 3i1a s HIS 82 N -0.76 3.20 0.93 3.97 3.76 -1.26 -4.63 115.29 120.50 3i1a s HIS 82 Ca 0.48 1.61 -0.14 0.00 -0.15 0.00 0.00 55.06 56.86 3i1a s HIS 82 Cb -0.33 -3.28 0.16 0.00 1.11 0.00 0.00 32.58 30.24 3i1a s HIS 82 CO 0.41 -0.97 1.20 0.95 -0.85 0.00 0.00 174.74 175.48 3i1a s THR 83 N -1.47 1.95 0.46 1.30 -4.23 0.84 -4.85 115.64 109.64 3i1a s THR 83 Ca 0.56 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.37 3i1a s THR 83 Cb -0.28 -2.85 0.33 0.00 1.34 0.00 0.00 72.50 71.04 3i1a s THR 83 CO 0.35 0.00 2.14 -0.07 -0.54 0.00 0.00 174.62 176.50 3i1a h LEU 84 N -1.56 0.00 -1.33 4.79 3.38 -1.39 0.80 115.31 120.00 3i1a h LEU 84 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3i1a h LEU 84 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i1a h LEU 84 CO 0.53 0.07 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 3i1a n GLU 85 N -3.60 1.91 -2.40 1.13 1.02 -1.26 -4.90 120.64 112.54 3i1a n GLU 85 Ca -0.02 -1.15 -0.16 0.00 -0.02 0.00 0.00 57.16 55.80 3i1a n GLU 85 Cb 0.19 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3i1a n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1a n ALA 86 N 0.37 -0.53 -2.91 0.62 0.00 0.27 -5.02 120.51 113.32 3i1a n ALA 86 Ca 0.11 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 3i1a n ALA 86 Cb 0.34 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3i1a n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1a s LYS 87 N -4.92 3.31 0.00 0.00 1.02 -1.26 -4.78 119.74 113.11 3i1a s LYS 87 Ca 0.04 -0.64 0.30 0.00 0.02 0.00 0.00 55.97 55.69 3i1a s LYS 87 Cb -0.02 -2.90 1.72 0.00 -0.52 0.00 0.00 37.83 36.12 3i1a s LYS 87 CO 0.05 0.53 2.12 1.28 -0.92 0.00 0.00 175.35 178.41 3i1a n LEU 88 N -0.37 0.18 -3.53 3.17 4.77 -1.26 -0.11 117.00 119.84 3i1a n LEU 88 Ca -0.07 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 3i1a n LEU 88 Cb 0.54 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3i1a n LEU 88 CO 0.48 0.03 0.68 0.72 -1.33 0.00 0.00 177.39 177.97 3i1a s PHE 89 N -2.00 -0.41 -0.27 -1.77 -0.12 -1.26 -4.63 117.98 107.52 3i1a s PHE 89 Ca 0.45 0.52 -0.09 0.00 -0.05 0.00 0.00 56.93 57.75 3i1a s PHE 89 Cb 0.21 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 3i1a s PHE 89 CO 0.35 -0.48 0.13 -1.14 -0.05 0.00 0.00 175.22 174.03 3i1a s GLN 90 N -2.04 3.69 -0.24 1.99 2.00 -0.39 -4.90 119.66 119.77 3i1a s GLN 90 Ca -0.00 -0.47 -0.20 0.00 -2.00 0.00 0.00 55.36 52.69 3i1a s GLN 90 Cb -0.01 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.28 3i1a s GLN 90 CO -0.02 -0.24 0.60 -1.14 -0.50 0.00 0.00 175.29 173.99 3i1a s GLN 91 N 1.67 4.13 0.28 1.67 2.00 -1.26 -1.03 119.66 127.11 3i1a s GLN 91 Ca 0.06 0.51 0.03 0.00 -2.00 0.00 0.00 55.36 53.97 3i1a s GLN 91 Cb -0.16 -3.63 0.03 0.00 0.80 0.00 0.00 33.01 30.05 3i1a s GLN 91 CO 0.07 -0.35 0.29 1.28 -0.50 0.00 0.00 175.29 176.07 3i1a n LEU 92 N 5.50 0.00 -0.02 3.68 4.77 0.81 -5.01 117.00 126.74 3i1a n LEU 92 Ca -0.02 -1.35 -0.09 0.00 -0.03 0.00 0.00 56.01 54.53 3i1a n LEU 92 Cb 0.49 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3i1a n LEU 92 CO 0.42 -0.50 0.77 0.50 -1.33 0.00 0.00 177.39 177.25 3i1a h LYS 93 N 0.00 -0.15 0.00 3.23 3.64 -1.96 -3.32 116.57 118.01 3i1a h LYS 93 Ca -0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3i1a h LYS 93 Cb 0.63 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i1a h LYS 93 CO 0.24 -0.10 0.00 -2.39 -2.27 0.00 0.00 179.45 174.93 3i1a n HIS 94 N -5.29 0.00 -3.86 1.91 1.44 -1.26 -4.84 115.22 103.33 3i1a n HIS 94 Ca -0.02 -0.21 -0.09 0.00 -2.01 0.00 0.00 57.72 55.39 3i1a n HIS 94 Cb 0.21 -0.02 -0.04 0.00 0.12 0.00 0.00 29.99 30.26 3i1a n HIS 94 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 3i1a s PHE 95 N -0.42 0.01 0.10 -1.40 -0.12 -1.25 -1.05 117.98 113.85 3i1a s PHE 95 Ca 0.00 -0.40 0.08 0.00 -0.05 0.00 0.00 56.93 56.56 3i1a s PHE 95 Cb 0.00 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3i1a s PHE 95 CO 0.00 -1.04 -0.15 0.15 -0.05 0.00 0.00 175.22 174.13 3i1a s LYS 96 N -3.93 1.96 -0.11 1.99 1.02 0.75 -0.13 119.74 121.28 3i1a s LYS 96 Ca 0.14 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 55.06 3i1a s LYS 96 Cb -0.02 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3i1a s LYS 96 CO 0.04 0.50 -0.16 0.42 -0.92 0.00 0.00 175.35 175.23 3i1a s ILE 97 N -1.13 2.80 -0.16 2.17 1.01 -0.20 -1.83 121.20 123.87 3i1a s ILE 97 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3i1a s ILE 97 Cb -0.11 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.25 3i1a s ILE 97 CO 0.10 0.54 -0.10 -0.63 0.00 0.00 0.00 174.94 174.85 3i1a s ILE 98 N 0.17 1.40 -0.11 2.92 -1.09 0.46 -1.26 121.20 123.70 3i1a s ILE 98 Ca -0.09 -0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 3i1a s ILE 98 Cb -0.15 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 3i1a s ILE 98 CO 0.05 0.31 -0.02 0.00 -1.23 0.00 0.00 174.94 174.05 3i1a s ALA 99 N 1.53 3.13 0.10 9.38 0.00 -1.26 -0.77 121.76 133.87 3i1a s ALA 99 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.19 3i1a s ALA 99 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3i1a s ALA 99 CO -0.09 0.46 -0.10 0.71 0.00 0.00 0.00 175.76 176.74 3i1a s TYR 100 N -0.44 1.05 0.37 0.00 1.51 0.21 0.11 117.35 120.16 3i1a s TYR 100 Ca 0.07 -0.66 -0.26 0.00 -1.01 0.00 0.00 57.07 55.21 3i1a s TYR 100 Cb -0.12 -0.58 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 3i1a s TYR 100 CO 0.02 -0.01 1.13 -1.25 -1.11 0.00 0.00 175.55 174.34 3i1a s PRO 101 N -2.82 4.20 -0.81 -1.71 0.04 -1.26 0.09 135.00 132.72 3i1a s PRO 101 Ca 0.06 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 3i1a s PRO 101 Cb -0.03 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.80 3i1a s PRO 101 CO -0.00 -0.17 1.26 0.12 0.04 0.00 0.00 177.00 178.25 3i1a s PHE 102 N -1.41 2.47 0.20 0.56 5.99 0.07 -4.43 117.98 121.42 3i1a s PHE 102 Ca 0.54 -0.43 0.09 0.00 0.00 0.00 0.00 56.93 57.13 3i1a s PHE 102 Cb -0.29 -4.57 -0.04 0.00 0.00 0.00 0.00 43.02 38.12 3i1a s PHE 102 CO 0.37 -1.93 -0.07 0.96 -0.00 0.00 0.00 175.22 174.55 3i1a s ILE 103 N 5.05 3.26 -0.08 3.12 -5.25 -1.26 -4.85 121.20 121.20 3i1a s ILE 103 Ca 0.36 -1.71 0.04 0.00 -0.99 0.00 0.00 60.65 58.35 3i1a s ILE 103 Cb -0.07 -2.64 0.00 0.00 2.95 0.00 0.00 42.46 42.70 3i1a s ILE 103 CO 0.06 -0.17 -0.20 -2.28 -1.79 0.00 0.00 174.94 170.57 3i1a s HIS 104 N -1.85 2.09 -0.15 1.37 2.46 -1.26 -5.11 115.29 112.84 3i1a s HIS 104 Ca 0.26 -0.77 -0.12 0.00 0.47 0.00 0.00 55.06 54.90 3i1a s HIS 104 Cb -0.08 -1.42 0.04 0.00 -0.13 0.00 0.00 32.58 30.99 3i1a s HIS 104 CO 0.16 -0.31 0.40 0.00 -2.47 0.00 0.00 174.74 172.52 3i1a s ALA 105 N 0.32 -0.99 0.47 1.58 0.00 -1.26 -4.99 121.76 116.90 3i1a s ALA 105 Ca -0.13 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 3i1a s ALA 105 Cb -0.16 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 3i1a s ALA 105 CO 0.06 -0.21 1.03 -1.25 0.00 0.00 0.00 175.76 175.39 3i1a s PRO 106 N 0.60 3.88 0.72 0.00 0.04 -1.26 -4.78 135.00 134.21 3i1a s PRO 106 Ca -0.03 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.39 3i1a s PRO 106 Cb -0.05 -2.16 0.14 0.00 0.04 0.00 0.00 34.50 32.47 3i1a s PRO 106 CO -0.04 -0.37 0.99 0.54 0.04 0.00 0.00 177.00 178.17 3i1a s ASN 107 N -1.94 4.33 0.34 6.66 2.20 -1.26 -1.23 114.94 124.05 3i1a s ASN 107 Ca 0.66 -0.55 0.25 0.00 -0.94 0.00 0.00 52.86 52.28 3i1a s ASN 107 Cb -0.17 0.23 1.22 0.00 -2.00 0.00 0.00 41.25 40.54 3i1a s ASN 107 CO 0.20 -1.89 1.76 1.23 -2.94 0.00 0.00 177.10 175.46 3i1a h GLY 108 N -0.48 0.00 0.12 0.45 0.00 0.08 0.51 103.07 103.74 3i1a h GLY 108 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3i1a h GLY 108 CO 0.38 0.00 -0.04 0.74 0.00 0.00 0.00 176.54 177.62 3i1a h PHE 109 N 0.00 -0.09 -0.28 5.60 0.05 -1.88 -3.34 116.94 116.99 3i1a h PHE 109 Ca 0.00 -0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.83 3i1a h PHE 109 Cb 0.16 0.03 -0.04 0.00 2.00 0.00 0.00 35.95 38.10 3i1a h PHE 109 CO 0.00 0.28 0.05 1.15 -0.18 0.00 0.00 178.31 179.61 3i1a h THR 110 N -0.98 0.86 -3.45 -1.55 2.02 -1.78 -3.39 112.91 104.64 3i1a h THR 110 Ca -0.01 -0.05 -0.58 0.00 0.77 0.00 0.00 66.41 66.54 3i1a h THR 110 Cb 0.42 0.69 -0.39 0.00 -1.74 0.00 0.00 68.15 67.13 3i1a h THR 110 CO 0.02 0.03 -0.77 -1.58 0.37 0.00 0.00 175.52 173.58 3i1a s GLN 111 N -6.18 1.16 0.41 6.66 0.74 0.12 -4.99 119.66 117.58 3i1a s GLN 111 Ca -0.13 -0.83 -0.27 0.00 0.05 0.00 0.00 55.36 54.18 3i1a s GLN 111 Cb 0.11 -2.37 -0.10 0.00 1.10 0.00 0.00 33.01 31.76 3i1a s GLN 111 CO 0.70 -0.68 1.47 -0.80 -0.55 0.00 0.00 175.29 175.43 3i1a s ASN 112 N 1.57 6.11 0.42 6.67 0.01 -1.25 -4.21 114.94 124.26 3i1a s ASN 112 Ca -0.02 3.02 -0.25 0.00 -0.71 0.00 0.00 52.86 54.90 3i1a s ASN 112 Cb -0.18 -2.66 -0.08 0.00 0.41 0.00 0.00 41.25 38.73 3i1a s ASN 112 CO -0.09 -1.03 1.29 -0.76 -1.51 0.00 0.00 177.10 175.00 3i1a s LEU 113 N -2.39 4.18 0.79 0.60 1.43 -1.26 -5.03 118.68 116.99 3i1a s LEU 113 Ca 0.57 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 56.17 3i1a s LEU 113 Cb -0.46 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 41.87 3i1a s LEU 113 CO 0.61 -0.89 1.16 0.42 0.23 0.00 0.00 176.35 177.88 3i1a s THR 114 N -1.29 2.31 0.22 5.49 -4.23 -1.26 -4.83 115.64 112.05 3i1a s THR 114 Ca 0.58 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.10 3i1a s THR 114 Cb -0.37 -3.10 0.19 0.00 1.34 0.00 0.00 72.50 70.56 3i1a s THR 114 CO 0.47 -0.13 1.90 1.23 -0.54 0.00 0.00 174.62 177.55 3i1a h GLY 115 N -0.97 1.19 0.98 3.99 0.00 -1.99 -0.27 103.07 106.00 3i1a h GLY 115 Ca -0.46 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.44 3i1a h GLY 115 CO 0.65 0.44 0.49 1.70 0.00 0.00 0.00 176.54 179.82 3i1a h LYS 116 N 1.15 0.96 -0.08 4.80 3.64 -1.99 -1.45 116.57 123.61 3i1a h LYS 116 Ca 0.31 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3i1a h LYS 116 Cb -0.13 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.46 3i1a h LYS 116 CO -0.07 0.63 -0.40 1.96 -2.27 0.00 0.00 179.45 179.30 3i1a h GLN 117 N 0.98 0.16 -0.50 1.90 4.20 -1.72 -1.11 115.11 119.03 3i1a h GLN 117 Ca 0.28 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 3i1a h GLN 117 Cb -0.09 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3i1a h GLN 117 CO -0.07 0.55 -0.05 -1.49 -0.67 0.00 0.00 178.83 177.10 3i1a h TRP 118 N 0.14 1.02 -0.52 2.96 4.06 -0.42 -0.02 115.95 123.17 3i1a h TRP 118 Ca 0.01 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.74 3i1a h TRP 118 Cb 0.78 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3i1a h TRP 118 CO 0.01 0.96 0.22 0.87 -3.56 0.00 0.00 178.44 176.94 3i1a h LYS 119 N 0.78 0.76 -0.77 0.49 1.57 -0.95 -1.47 116.57 116.98 3i1a h LYS 119 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3i1a h LYS 119 Cb 0.59 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3i1a h LYS 119 CO 0.04 0.67 0.36 0.37 -0.57 0.00 0.00 179.45 180.31 3i1a h GLN 120 N 0.69 1.11 -0.64 3.15 4.15 -0.99 0.42 115.11 123.00 3i1a h GLN 120 Ca 0.17 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3i1a h GLN 120 Cb 0.18 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3i1a h GLN 120 CO -0.02 0.86 0.16 1.25 -1.93 0.00 0.00 178.83 179.15 3i1a h LEU 121 N 1.10 0.98 -0.45 -2.39 5.85 -0.64 -0.04 115.31 119.72 3i1a h LEU 121 Ca 0.26 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3i1a h LEU 121 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3i1a h LEU 121 CO -0.03 0.95 0.18 1.23 -0.34 0.00 0.00 178.44 180.44 3i1a h GLY 122 N 0.95 0.72 0.98 3.75 0.00 -0.59 -0.54 103.07 108.34 3i1a h GLY 122 Ca 0.20 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3i1a h GLY 122 CO 0.00 0.37 0.36 1.70 0.00 0.00 0.00 176.54 178.97 3i1a h LYS 123 N 0.59 0.70 -0.33 4.80 3.64 -0.55 -1.58 116.57 123.84 3i1a h LYS 123 Ca 0.15 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 3i1a h LYS 123 Cb 0.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3i1a h LYS 123 CO -0.01 0.47 -0.33 0.28 -2.27 0.00 0.00 179.45 177.58 3i1a h VAL 124 N 0.72 1.29 -0.13 2.00 2.07 -0.85 -1.60 116.25 119.75 3i1a h VAL 124 Ca 0.21 -1.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 3i1a h VAL 124 Cb -0.06 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3i1a h VAL 124 CO -0.06 0.49 -0.34 0.25 0.02 0.00 0.00 177.57 177.93 3i1a h LEU 125 N 0.59 0.28 -0.66 2.57 5.85 -1.05 -0.62 115.31 122.27 3i1a h LEU 125 Ca 0.05 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 3i1a h LEU 125 Cb 0.91 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3i1a h LEU 125 CO 0.08 0.61 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.56 3i1a h ARG 126 N 0.23 0.90 -0.73 1.25 9.65 -1.10 -0.95 114.38 123.64 3i1a h ARG 126 Ca 0.03 -0.33 0.02 0.00 -1.10 0.00 0.00 59.98 58.60 3i1a h ARG 126 Cb 0.73 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.21 3i1a h ARG 126 CO 0.06 0.98 0.47 1.96 2.80 0.00 0.00 179.97 186.23 3i1a h GLN 127 N 0.80 0.90 -0.08 0.20 4.20 -0.55 -0.42 115.11 120.16 3i1a h GLN 127 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3i1a h GLN 127 Cb 0.67 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3i1a h GLN 127 CO 0.05 0.60 0.01 0.82 -0.67 0.00 0.00 178.83 179.63 3i1a h ILE 128 N 0.93 1.22 0.00 2.54 2.04 -0.88 -2.47 117.51 120.90 3i1a h ILE 128 Ca 0.28 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3i1a h ILE 128 Cb -0.03 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3i1a h ILE 128 CO -0.09 0.20 -0.08 0.45 0.00 0.00 0.00 178.15 178.62 3i1a h HIS 129 N -0.12 0.00 -0.17 1.37 3.86 -0.86 -1.80 115.15 117.44 3i1a h HIS 129 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3i1a h HIS 129 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3i1a h HIS 129 CO 0.02 0.08 0.00 0.39 0.86 0.00 0.00 177.93 179.28 3i1a n GLU 130 N -3.71 1.81 -2.70 2.45 -0.58 -0.19 -4.41 120.64 113.31 3i1a n GLU 130 Ca -0.02 -1.21 -0.42 0.00 -0.42 0.00 0.00 57.16 55.09 3i1a n GLU 130 Cb 0.19 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3i1a n GLU 130 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3i1a s THR 131 N -1.79 4.81 0.03 2.62 2.01 -0.68 -5.00 115.64 117.64 3i1a s THR 131 Ca 0.33 2.04 -0.30 0.00 0.31 0.00 0.00 61.69 64.07 3i1a s THR 131 Cb 0.18 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 3i1a s THR 131 CO 0.28 0.05 1.35 -0.44 -0.69 0.00 0.00 174.62 175.16 3i1a s SER 132 N 1.07 6.90 -0.27 3.53 0.01 -1.26 -4.72 113.70 118.95 3i1a s SER 132 Ca 0.49 2.12 -0.09 0.00 1.31 0.00 0.00 55.95 59.78 3i1a s SER 132 Cb -0.19 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 3i1a s SER 132 CO 0.21 -0.65 0.13 -0.69 0.41 0.00 0.00 173.24 172.65 3i1a s VAL 133 N 1.89 4.80 0.54 3.43 1.01 -1.26 -5.07 120.40 125.74 3i1a s VAL 133 Ca 0.62 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 62.35 3i1a s VAL 133 Cb -0.32 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3i1a s VAL 133 CO 0.27 0.27 1.38 -2.65 0.00 0.00 0.00 175.10 174.37 3i1a n PRO 134 N 4.99 1.75 -0.30 2.72 -0.02 -1.26 -4.71 135.00 138.17 3i1a n PRO 134 Ca -0.15 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3i1a n PRO 134 Cb 0.51 -2.60 0.32 0.00 -0.02 0.00 0.00 33.50 31.71 3i1a n PRO 134 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3i1a h ILE 135 N 1.49 0.90 -0.93 4.25 1.08 -1.98 0.46 117.51 122.78 3i1a h ILE 135 Ca -0.51 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 3i1a h ILE 135 Cb 1.30 -0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 3i1a h ILE 135 CO 0.57 0.15 0.60 0.77 -0.69 0.00 0.00 178.15 179.56 3i1a h SER 136 N 0.83 0.94 0.58 1.72 4.64 -2.00 -1.26 113.55 118.99 3i1a h SER 136 Ca 0.45 0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.52 3i1a h SER 136 Cb 0.57 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3i1a h SER 136 CO -0.22 0.60 -1.18 0.40 -0.87 0.00 0.00 176.83 175.57 3i1a h ILE 137 N 1.06 1.48 -0.74 0.95 2.04 -1.46 -3.20 117.51 117.65 3i1a h ILE 137 Ca 0.40 -2.94 0.07 0.00 1.00 0.00 0.00 64.86 63.39 3i1a h ILE 137 Cb 0.19 2.84 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 3i1a h ILE 137 CO -0.15 0.86 0.49 1.56 0.00 0.00 0.00 178.15 180.91 3i1a h GLN 138 N 0.10 0.73 0.00 2.37 4.20 -0.05 0.10 115.11 122.57 3i1a h GLN 138 Ca -0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3i1a h GLN 138 Cb 1.89 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.50 3i1a h GLN 138 CO 0.19 0.48 0.00 1.96 -0.67 0.00 0.00 178.83 180.80 3i1a h GLN 139 N 0.75 0.00 0.00 1.46 4.20 -1.26 -2.52 115.11 117.74 3i1a h GLN 139 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3i1a h GLN 139 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3i1a h GLN 139 CO -0.11 0.00 -0.98 1.04 -0.67 0.00 0.00 178.83 178.11 3i1a n GLN 140 N -3.04 0.29 -3.25 1.46 1.13 -0.02 -4.93 117.38 109.01 3i1a n GLN 140 Ca 0.00 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.68 3i1a n GLN 140 Cb 0.27 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 3i1a n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i1a s LEU 141 N -3.96 4.53 0.45 1.08 1.43 -0.91 -4.97 118.68 116.34 3i1a s LEU 141 Ca 0.04 1.29 -0.23 0.00 -1.03 0.00 0.00 54.13 54.20 3i1a s LEU 141 Cb 0.14 -2.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.36 3i1a s LEU 141 CO 0.79 0.27 1.13 0.00 0.23 0.00 0.00 176.35 178.77 3i1a s ARG 142 N -1.12 3.84 0.01 1.70 1.70 -1.26 -4.82 118.95 119.00 3i1a s ARG 142 Ca 0.29 1.68 0.02 0.00 -0.47 0.00 0.00 55.73 57.25 3i1a s ARG 142 Cb -0.20 -2.40 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 3i1a s ARG 142 CO 0.19 -0.46 -0.01 0.15 -1.08 0.00 0.00 175.30 174.09 3i1a s LYS 143 N -2.71 2.72 0.05 3.89 3.01 -1.26 -1.40 119.74 124.04 3i1a s LYS 143 Ca 0.63 -0.65 -0.31 0.00 -1.01 0.00 0.00 55.97 54.63 3i1a s LYS 143 Cb -0.26 -2.62 -0.07 0.00 -1.01 0.00 0.00 37.83 33.86 3i1a s LYS 143 CO 0.32 0.61 1.55 -2.00 0.51 0.00 0.00 175.35 176.34 3i1a s GLU 144 N -1.58 4.23 -0.01 1.68 2.56 -0.72 -4.86 118.70 120.01 3i1a s GLU 144 Ca 0.19 2.20 0.01 0.00 0.00 0.00 0.00 54.97 57.37 3i1a s GLU 144 Cb -0.11 -3.56 0.01 0.00 2.00 0.00 0.00 34.13 32.47 3i1a s GLU 144 CO 0.10 -0.66 0.89 0.44 -0.56 0.00 0.00 175.26 175.46 3i1a n ILE 145 N 4.65 0.78 -3.87 -3.70 -5.35 -1.26 -5.01 119.36 105.59 3i1a n ILE 145 Ca 0.15 -0.80 -0.28 0.00 -0.27 0.00 0.00 62.75 61.54 3i1a n ILE 145 Cb 0.42 0.58 0.03 0.00 -1.74 0.00 0.00 39.64 38.93 3i1a n ILE 145 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3i1a n TYR 146 N -0.42 -2.22 -1.67 4.28 4.01 -1.26 -4.88 117.16 115.00 3i1a n TYR 146 Ca 0.01 0.89 -0.44 0.00 -0.16 0.00 0.00 57.90 58.20 3i1a n TYR 146 Cb 0.34 -4.06 -0.02 0.00 -0.31 0.00 0.00 39.34 35.29 3i1a n TYR 146 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i1a n SER 147 N -2.88 2.59 -0.56 7.72 2.88 -1.26 -4.89 113.62 117.21 3i1a n SER 147 Ca -0.03 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 3i1a n SER 147 Cb 0.56 -1.43 0.42 0.00 -0.75 0.00 0.00 64.21 63.01 3i1a n SER 147 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i1a n PRO 148 N 1.33 1.75 -0.30 -1.46 -0.04 -1.26 -4.56 135.00 130.45 3i1a n PRO 148 Ca 0.09 -1.11 -0.05 0.00 -0.04 0.00 0.00 63.50 62.39 3i1a n PRO 148 Cb 0.33 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3i1a n PRO 148 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i1a h LYS 149 N 2.41 -0.09 -0.31 0.54 3.64 -2.00 -0.09 116.57 120.67 3i1a h LYS 149 Ca 0.00 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 3i1a h LYS 149 Cb 0.52 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3i1a h LYS 149 CO 0.00 -0.06 -0.44 -1.49 -2.27 0.00 0.00 179.45 175.19 3i1a h TRP 150 N -0.10 0.96 -0.82 1.91 4.06 -1.95 -2.14 115.95 117.88 3i1a h TRP 150 Ca 0.25 -0.30 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 3i1a h TRP 150 Cb 0.56 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.48 3i1a h TRP 150 CO -0.80 1.08 0.45 0.00 -3.56 0.00 0.00 178.44 175.61 3i1a h ARG 151 N 0.64 1.14 -0.42 0.49 3.08 -1.62 -1.49 114.38 116.19 3i1a h ARG 151 Ca 0.04 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3i1a h ARG 151 Cb 1.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3i1a h ARG 151 CO 0.10 0.83 0.06 0.93 -1.07 0.00 0.00 179.97 180.82 3i1a h GLU 152 N 1.14 0.71 -0.69 0.04 5.08 -0.86 -2.18 114.58 117.82 3i1a h GLU 152 Ca 0.29 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3i1a h GLU 152 Cb 0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3i1a h GLU 152 CO -0.05 0.75 0.45 0.82 -1.00 0.00 0.00 179.01 179.98 3i1a h ILE 153 N 0.56 1.18 -0.24 3.13 2.04 -0.95 -0.70 117.51 122.54 3i1a h ILE 153 Ca 0.13 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3i1a h ILE 153 Cb 0.39 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i1a h ILE 153 CO 0.01 0.18 -0.18 0.58 0.00 0.00 0.00 178.15 178.74 3i1a h VAL 154 N 0.94 1.24 -0.09 1.67 2.07 -1.14 -1.79 116.25 119.15 3i1a h VAL 154 Ca 0.25 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 3i1a h VAL 154 Cb -0.09 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3i1a h VAL 154 CO -0.05 0.34 -0.37 0.03 0.02 0.00 0.00 177.57 177.55 3i1a h ARG 155 N 0.39 0.18 0.00 1.57 3.08 -0.67 -1.74 114.38 117.19 3i1a h ARG 155 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3i1a h ARG 155 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3i1a h ARG 155 CO 0.04 0.52 -0.03 0.66 -1.07 0.00 0.00 179.97 180.09 3i1a h SER 156 N 0.15 0.00 0.63 7.04 4.64 -0.27 -2.26 113.55 123.49 3i1a h SER 156 Ca 0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 3i1a h SER 156 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 3i1a h SER 156 CO 0.05 0.03 -0.68 -0.26 -0.87 0.00 0.00 176.83 175.10 3i1a h PHE 157 N 0.00 0.05 -0.90 4.77 0.04 -1.09 -3.36 116.94 116.45 3i1a h PHE 157 Ca -0.00 -0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.91 3i1a h PHE 157 Cb 0.26 -0.01 -0.16 0.00 2.20 0.00 0.00 35.95 38.24 3i1a h PHE 157 CO 0.00 0.70 -0.29 1.88 -0.60 0.00 0.00 178.31 180.00 3i1a h TYR 158 N 0.03 -0.74 0.00 -0.55 0.99 -1.43 0.13 116.97 115.40 3i1a h TYR 158 Ca -0.01 0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3i1a h TYR 158 Cb 1.20 0.46 0.00 0.00 1.00 0.00 0.00 36.73 39.39 3i1a h TYR 158 CO 0.00 -0.40 0.00 -0.91 -0.00 0.00 0.00 178.16 176.86 3i1a h ASN 159 N -0.02 0.00 1.37 3.88 2.35 -1.77 -3.17 115.58 118.22 3i1a h ASN 159 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3i1a h ASN 159 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3i1a h ASN 159 CO -0.93 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 174.85 3i1a n GLN 160 N -2.84 0.22 0.00 0.81 6.02 0.44 -3.53 117.38 118.50 3i1a n GLN 160 Ca 0.04 0.20 0.06 0.00 -0.01 0.00 0.00 57.00 57.29 3i1a n GLN 160 Cb 0.45 -1.77 0.30 0.00 1.02 0.00 0.00 30.24 30.24 3i1a n GLN 160 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3i1a n ILE 161 N -2.16 0.90 -1.70 5.09 2.08 -1.04 -4.80 119.36 117.73 3i1a n ILE 161 Ca 0.06 0.22 -0.33 0.00 0.56 0.00 0.00 62.75 63.26 3i1a n ILE 161 Cb 0.41 -1.01 0.05 0.00 -0.75 0.00 0.00 39.64 38.34 3i1a n ILE 161 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3i1a s GLU 162 N -2.79 2.79 0.28 0.38 2.56 -1.23 -4.93 118.70 115.75 3i1a s GLU 162 Ca 0.09 1.31 -0.30 0.00 0.00 0.00 0.00 54.97 56.07 3i1a s GLU 162 Cb 0.08 -1.95 -0.13 0.00 2.00 0.00 0.00 34.13 34.13 3i1a s GLU 162 CO 0.21 -1.25 1.32 0.34 -0.56 0.00 0.00 175.26 175.32 3i1a n PHE 163 N -2.58 2.07 -3.62 5.30 7.35 -1.26 -4.99 117.46 119.73 3i1a n PHE 163 Ca 0.10 0.51 -0.19 0.00 -0.76 0.00 0.00 57.45 57.11 3i1a n PHE 163 Cb 0.52 -2.41 -0.15 0.00 0.35 0.00 0.00 39.48 37.79 3i1a n PHE 163 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3i1a s ASP 164 N -0.01 1.18 0.50 -2.13 -1.08 -1.26 -5.03 116.67 108.84 3i1a s ASP 164 Ca 0.63 0.03 0.34 0.00 -0.52 0.00 0.00 52.55 53.03 3i1a s ASP 164 Cb -0.64 0.19 1.82 0.00 -1.46 0.00 0.00 42.92 42.84 3i1a s ASP 164 CO 0.55 -0.28 2.03 -0.55 0.52 0.00 0.00 175.17 177.44 3i1a h ASN 165 N 8.37 0.00 -0.07 -0.34 7.08 -2.04 -1.56 115.58 127.01 3i1a h ASN 165 Ca -0.14 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 3i1a h ASN 165 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 3i1a h ASN 165 CO 0.20 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.01 3i1a n SER 166 N -2.68 1.98 -4.77 6.14 3.41 -1.26 -4.94 113.62 111.50 3i1a n SER 166 Ca -0.02 -1.68 -0.40 0.00 -0.26 0.00 0.00 58.87 56.51 3i1a n SER 166 Cb 0.06 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3i1a n SER 166 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i1a s ASP 167 N -1.89 6.41 0.83 4.04 1.01 -0.59 -5.03 116.67 121.45 3i1a s ASP 167 Ca 0.35 2.75 -0.05 0.00 0.71 0.00 0.00 52.55 56.30 3i1a s ASP 167 Cb 0.20 -2.65 0.17 0.00 1.01 0.00 0.00 42.92 41.66 3i1a s ASP 167 CO 0.31 -0.79 1.12 -0.90 0.21 0.00 0.00 175.17 175.12 3i1a n ASP 168 N 0.34 0.98 -0.12 0.27 5.75 -1.26 -4.81 116.55 117.70 3i1a n ASP 168 Ca 0.02 -1.95 -0.05 0.00 -0.01 0.00 0.00 54.79 52.81 3i1a n ASP 168 Cb 0.42 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.76 3i1a n ASP 168 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3i1a h LYS 169 N 0.00 0.05 -0.47 0.11 3.64 -1.99 -1.04 116.57 116.87 3i1a h LYS 169 Ca -0.37 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 3i1a h LYS 169 Cb 1.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3i1a h LYS 169 CO 0.34 0.04 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.43 3i1a h LEU 170 N 0.06 0.86 -0.65 5.20 3.38 -1.94 -1.44 115.31 120.78 3i1a h LEU 170 Ca 0.19 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3i1a h LEU 170 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3i1a h LEU 170 CO -0.36 0.99 0.30 0.74 0.09 0.00 0.00 178.44 180.21 3i1a h THR 171 N 0.71 1.23 -0.59 0.22 2.02 -1.64 -0.76 112.91 114.09 3i1a h THR 171 Ca 0.13 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 3i1a h THR 171 Cb 0.59 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3i1a h THR 171 CO 0.04 0.27 0.02 0.00 0.37 0.00 0.00 175.52 176.22 3i1a h ALA 172 N 1.14 0.92 -0.61 6.16 0.00 -1.08 -1.12 119.26 124.66 3i1a h ALA 172 Ca 0.22 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3i1a h ALA 172 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i1a h ALA 172 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3i1a h ALA 173 N 1.08 0.85 -0.37 0.00 0.00 -0.96 -2.05 119.26 117.81 3i1a h ALA 173 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i1a h ALA 173 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i1a h ALA 173 CO 0.02 0.67 0.07 0.35 0.00 0.00 0.00 179.25 180.36 3i1a h PHE 174 N 0.97 0.64 -0.91 0.00 3.57 -0.92 -1.48 116.94 118.81 3i1a h PHE 174 Ca 0.17 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3i1a h PHE 174 Cb 0.56 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3i1a h PHE 174 CO 0.04 0.65 0.51 0.87 -2.23 0.00 0.00 178.31 178.14 3i1a h LYS 175 N 0.45 1.26 -0.54 1.11 1.57 -1.09 0.88 116.57 120.21 3i1a h LYS 175 Ca 0.11 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3i1a h LYS 175 Cb 0.34 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3i1a h LYS 175 CO 0.01 0.91 -0.08 0.66 -0.57 0.00 0.00 179.45 180.37 3i1a h SER 176 N 1.27 0.99 -0.51 0.86 4.64 -1.17 0.64 113.55 120.28 3i1a h SER 176 Ca 0.32 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3i1a h SER 176 Cb 0.01 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3i1a h SER 176 CO -0.05 1.09 -0.02 0.15 -0.87 0.00 0.00 176.83 177.13 3i1a h PHE 177 N 0.90 0.99 -0.02 4.77 3.57 -0.89 -0.19 116.94 126.06 3i1a h PHE 177 Ca 0.15 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3i1a h PHE 177 Cb 0.64 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3i1a h PHE 177 CO 0.04 0.93 0.01 0.35 -2.23 0.00 0.00 178.31 177.41 3i1a h PHE 178 N 0.77 0.03 -0.74 0.41 3.57 -0.62 -1.40 116.94 118.96 3i1a h PHE 178 Ca 0.14 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3i1a h PHE 178 Cb 0.54 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3i1a h PHE 178 CO 0.04 0.09 0.47 -0.97 -2.23 0.00 0.00 178.31 175.70 3i1a h ASN 179 N -0.03 0.76 0.51 0.41 -0.73 -0.75 0.14 115.58 115.89 3i1a h ASN 179 Ca 0.01 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.15 3i1a h ASN 179 Cb 0.07 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.49 3i1a h ASN 179 CO -0.00 0.52 -0.13 1.56 -0.37 0.00 0.00 177.43 179.01 3i1a h GLN 180 N 0.90 0.00 -0.15 6.67 4.20 -0.66 -2.69 115.11 123.38 3i1a h GLN 180 Ca 0.30 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 3i1a h GLN 180 Cb 0.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3i1a h GLN 180 CO -0.12 0.13 -0.24 0.09 -0.67 0.00 0.00 178.83 178.03 3i1a n ASN 181 N -3.53 2.24 -0.31 1.46 3.02 -0.56 -4.80 115.26 112.78 3i1a n ASN 181 Ca -0.01 -3.68 -0.03 0.00 -0.03 0.00 0.00 54.58 50.82 3i1a n ASN 181 Cb 0.28 -0.56 0.08 0.00 -0.61 0.00 0.00 39.78 38.98 3i1a n ASN 181 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3i1a h SER 182 N 0.92 0.96 -0.59 6.41 0.87 -0.40 -1.32 113.55 120.40 3i1a h SER 182 Ca 0.08 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3i1a h SER 182 Cb 1.28 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 3i1a h SER 182 CO 0.16 0.69 0.35 0.00 -0.53 0.00 0.00 176.83 177.50 3i1a h ALA 183 N 1.32 0.75 -0.33 6.23 0.00 -1.87 -0.85 119.26 124.51 3i1a h ALA 183 Ca 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3i1a h ALA 183 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3i1a h ALA 183 CO -0.07 0.24 -0.31 0.00 0.00 0.00 0.00 179.25 179.11 3i1a h ALA 184 N 1.18 0.84 -0.41 0.00 0.00 -1.86 -1.88 119.26 117.13 3i1a h ALA 184 Ca 0.21 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3i1a h ALA 184 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i1a h ALA 184 CO -0.04 0.64 -0.15 0.82 0.00 0.00 0.00 179.25 180.52 3i1a h ILE 185 N 0.60 1.28 -0.42 0.00 2.04 -0.79 -1.36 117.51 118.85 3i1a h ILE 185 Ca 0.07 -1.27 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 3i1a h ILE 185 Cb 0.82 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3i1a h ILE 185 CO 0.07 0.43 -0.20 0.45 0.00 0.00 0.00 178.15 178.90 3i1a h HIS 186 N 0.63 0.94 -0.78 1.37 3.86 -1.16 -2.42 115.15 117.59 3i1a h HIS 186 Ca 0.10 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3i1a h HIS 186 Cb 0.69 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3i1a h HIS 186 CO 0.05 0.95 0.40 -0.09 0.86 0.00 0.00 177.93 180.11 3i1a h ARG 187 N 0.73 1.10 -0.24 2.45 2.43 -1.11 0.21 114.38 119.95 3i1a h ARG 187 Ca 0.10 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3i1a h ARG 187 Cb 0.72 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3i1a h ARG 187 CO 0.06 0.84 0.15 -0.07 -1.51 0.00 0.00 179.97 179.43 3i1a h LEU 188 N 1.09 0.28 -0.08 3.80 3.38 -1.04 0.68 115.31 123.42 3i1a h LEU 188 Ca 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3i1a h LEU 188 Cb 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i1a h LEU 188 CO -0.04 0.23 0.01 0.58 0.09 0.00 0.00 178.44 179.31 3i1a h VAL 189 N 0.30 1.22 0.00 1.22 2.07 -1.08 -1.84 116.25 118.14 3i1a h VAL 189 Ca 0.09 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3i1a h VAL 189 Cb -0.00 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3i1a h VAL 189 CO -0.02 0.19 -0.39 0.44 0.02 0.00 0.00 177.57 177.81 3i1a h ASP 190 N -0.10 0.00 0.05 0.57 3.32 -0.55 -0.87 116.42 118.83 3i1a h ASP 190 Ca 0.03 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.83 3i1a h ASP 190 Cb 0.29 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.86 3i1a h ASP 190 CO 0.00 0.39 -0.98 0.74 -1.72 0.00 0.00 179.24 177.68 3i1a h THR 191 N 0.00 1.33 -0.61 0.35 2.02 -0.82 -0.83 112.91 114.35 3i1a h THR 191 Ca -0.00 -2.29 0.01 0.00 0.77 0.00 0.00 66.41 64.90 3i1a h THR 191 Cb 0.72 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 3i1a h THR 191 CO 0.05 0.69 0.40 -1.28 0.37 0.00 0.00 175.52 175.76 3i1a h SER 192 N 0.18 0.70 0.43 4.18 0.87 -1.16 0.02 113.55 118.77 3i1a h SER 192 Ca -0.14 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3i1a h SER 192 Cb 1.67 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 3i1a h SER 192 CO 0.19 0.50 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.71 3i1a h GLU 193 N 0.82 -0.56 -0.76 2.24 4.81 -1.15 -0.57 114.58 119.42 3i1a h GLU 193 Ca 0.23 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 3i1a h GLU 193 Cb -0.09 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 3i1a h GLU 193 CO -0.05 -0.32 0.36 -0.22 -0.73 0.00 0.00 179.01 178.05 3i1a h LYS 194 N -0.68 0.54 -0.17 1.92 3.64 -0.94 -0.30 116.57 120.59 3i1a h LYS 194 Ca -0.06 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 3i1a h LYS 194 Cb 0.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3i1a h LYS 194 CO 0.10 0.36 -0.43 -0.07 -2.27 0.00 0.00 179.45 177.14 3i1a h LEU 195 N 0.56 0.41 -1.20 5.20 3.38 -0.89 -2.71 115.31 120.07 3i1a h LEU 195 Ca 0.39 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3i1a h LEU 195 Cb 0.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3i1a h LEU 195 CO -0.33 0.79 -0.13 0.77 0.09 0.00 0.00 178.44 179.63 3i1a h SER 196 N 0.32 0.38 0.67 -0.43 4.64 0.59 -2.30 113.55 117.41 3i1a h SER 196 Ca 0.03 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 3i1a h SER 196 Cb 0.89 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3i1a h SER 196 CO 0.07 0.55 -0.50 0.11 -0.87 0.00 0.00 176.83 176.19 3i1a h LYS 197 N 0.37 0.00 0.00 4.77 1.57 -1.09 -3.09 116.57 119.10 3i1a h LYS 197 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3i1a h LYS 197 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3i1a h LYS 197 CO 0.03 0.50 -0.43 0.87 -0.57 0.00 0.00 179.45 179.84 3i1a h LYS 198 N 0.00 0.00 -5.87 3.15 1.57 -1.15 -3.45 116.57 110.83 3i1a h LYS 198 Ca -0.01 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3i1a h LYS 198 Cb 0.97 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 3i1a h LYS 198 CO 0.07 0.00 0.39 0.42 -0.57 0.00 0.00 179.45 179.76 3i1a s ILE 199 N -3.23 4.88 -0.49 1.86 1.01 -0.91 -5.01 121.20 119.32 3i1a s ILE 199 Ca 0.05 1.57 -0.19 0.00 0.00 0.00 0.00 60.65 62.08 3i1a s ILE 199 Cb 0.10 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.50 3i1a s ILE 199 CO 0.70 0.00 0.59 0.00 0.00 0.00 0.00 174.94 176.24 3i1a s GLN 200 N 2.35 3.13 0.18 2.79 1.03 -1.26 -4.99 119.66 122.89 3i1a s GLN 200 Ca 0.36 -0.83 -0.33 0.00 0.04 0.00 0.00 55.36 54.60 3i1a s GLN 200 Cb -0.16 -4.07 -0.15 0.00 0.03 0.00 0.00 33.01 28.67 3i1a s GLN 200 CO 0.10 -1.14 1.40 -2.30 -2.54 0.00 0.00 175.29 170.81 3i1a n PRO 201 N 6.07 1.75 -3.61 9.60 -0.02 -1.26 -4.96 135.00 142.57 3i1a n PRO 201 Ca -0.06 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 3i1a n PRO 201 Cb 0.46 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 3i1a n PRO 201 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i1a s ASP 202 N 0.44 3.50 0.59 2.55 2.15 -1.26 -4.99 116.67 119.65 3i1a s ASP 202 Ca 0.75 -2.06 0.28 0.00 0.43 0.00 0.00 52.55 51.95 3i1a s ASP 202 Cb -0.75 -0.69 1.59 0.00 -0.30 0.00 0.00 42.92 42.78 3i1a s ASP 202 CO 0.46 -0.34 2.05 0.17 -0.17 0.00 0.00 175.17 177.34 3i1a h LEU 203 N 7.39 0.00 -1.33 -1.34 -0.00 -1.98 0.85 115.31 118.90 3i1a h LEU 203 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3i1a h LEU 203 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 3i1a h LEU 203 CO 0.40 0.00 0.00 0.44 -0.00 0.00 0.00 178.44 179.28 3i1a h ASP 204 N 0.00 0.00 -0.42 0.17 5.19 -2.02 -2.35 116.42 116.99 3i1a h ASP 204 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3i1a h ASP 204 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 3i1a h ASP 204 CO -0.00 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.41 3i1a n LYS 205 N -2.70 2.44 -2.66 3.56 5.02 0.29 -4.97 118.16 119.14 3i1a n LYS 205 Ca 0.01 -2.20 -0.35 0.00 -2.02 0.00 0.00 58.31 53.75 3i1a n LYS 205 Cb 0.23 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 3i1a n LYS 205 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3i1a s TYR 206 N -1.17 3.23 0.21 2.13 1.51 -0.88 -4.48 117.35 117.90 3i1a s TYR 206 Ca 0.34 1.63 0.00 0.00 -1.01 0.00 0.00 57.07 58.03 3i1a s TYR 206 Cb 0.19 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3i1a s TYR 206 CO 0.26 -0.44 0.08 0.14 -1.11 0.00 0.00 175.55 174.48 3i1a s VAL 207 N -1.93 0.37 -0.06 0.71 -7.23 0.56 -4.81 120.40 108.02 3i1a s VAL 207 Ca 0.62 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 3i1a s VAL 207 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3i1a s VAL 207 CO 0.20 -0.17 1.43 -0.22 -0.31 0.00 0.00 175.10 176.02 3i1a s LEU 208 N -3.20 4.28 0.06 1.32 2.96 -1.26 -1.83 118.68 121.01 3i1a s LEU 208 Ca 0.33 2.03 0.09 0.00 -0.22 0.00 0.00 54.13 56.36 3i1a s LEU 208 Cb 0.07 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 3i1a s LEU 208 CO 0.09 -0.78 -0.25 0.00 -1.32 0.00 0.00 176.35 174.10 3i1a h HIS 210 N 4.63 0.43 0.00 0.00 2.76 -1.93 -1.82 115.15 119.23 3i1a h HIS 210 Ca -0.46 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 3i1a h HIS 210 Cb 1.15 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.01 3i1a h HIS 210 CO 0.51 0.68 0.00 -1.13 -1.30 0.00 0.00 177.93 176.69 3i1a n SER 211 N -4.60 0.00 -2.69 3.26 3.41 -1.26 -4.12 113.62 107.62 3i1a n SER 211 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.49 3i1a n SER 211 Cb 0.31 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 3i1a n SER 211 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i1a n ASP 212 N 0.00 -0.89 -4.02 4.04 2.03 -1.26 -4.93 116.55 111.51 3i1a n ASP 212 Ca 0.00 -2.52 -0.43 0.00 0.52 0.00 0.00 54.79 52.36 3i1a n ASP 212 Cb 0.00 0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 3i1a n ASP 212 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i1a n ILE 213 N -0.48 4.35 -2.92 5.18 0.13 -1.26 -4.80 119.36 119.57 3i1a n ILE 213 Ca 0.00 -4.53 -0.20 0.00 -1.10 0.00 0.00 62.75 56.92 3i1a n ILE 213 Cb 0.84 -2.38 0.06 0.00 -0.84 0.00 0.00 39.64 37.32 3i1a n ILE 213 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 3i1a s HIS 214 N 0.59 1.75 0.55 9.51 -3.43 -1.26 -4.79 115.29 118.22 3i1a s HIS 214 Ca 0.40 -0.54 0.26 0.00 -0.80 0.00 0.00 55.06 54.38 3i1a s HIS 214 Cb 0.06 -2.43 1.46 0.00 -1.43 0.00 0.00 32.58 30.25 3i1a s HIS 214 CO 0.01 -1.13 2.03 0.00 -2.00 0.00 0.00 174.74 173.64 3i1a h ALA 215 N 0.10 2.23 0.00 -1.38 0.00 -1.93 0.26 119.26 118.55 3i1a h ALA 215 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i1a h ALA 215 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i1a h ALA 215 CO 0.42 -0.50 0.00 0.78 0.00 0.00 0.00 179.25 179.95 3i1a h GLY 216 N 0.00 0.00 -2.96 0.00 0.00 -1.92 -0.44 103.07 97.76 3i1a h GLY 216 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3i1a h GLY 216 CO -0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3i1a n ASN 217 N -2.86 4.59 -4.19 0.19 3.02 0.08 -4.79 115.26 111.30 3i1a n ASN 217 Ca 0.01 -2.36 -0.32 0.00 -0.03 0.00 0.00 54.58 51.87 3i1a n ASN 217 Cb 0.27 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 3i1a n ASN 217 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i1a s VAL 218 N -1.68 2.10 0.07 2.41 1.01 -1.12 -0.49 120.40 122.70 3i1a s VAL 218 Ca 0.50 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3i1a s VAL 218 Cb 0.31 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3i1a s VAL 218 CO 0.26 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 175.12 3i1a s LEU 219 N 0.72 3.35 -0.35 3.92 1.43 0.66 -1.46 118.68 126.95 3i1a s LEU 219 Ca -0.09 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3i1a s LEU 219 Cb -0.16 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.05 3i1a s LEU 219 CO 0.00 0.21 0.13 -0.69 0.23 0.00 0.00 176.35 176.23 3i1a s VAL 220 N -1.21 4.01 0.00 -1.59 1.01 -0.36 -0.37 120.40 121.89 3i1a s VAL 220 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3i1a s VAL 220 Cb -0.11 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3i1a s VAL 220 CO 0.15 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3i1a n GLY 221 N 4.87 4.08 3.68 4.51 0.00 0.51 -3.98 105.19 118.86 3i1a n GLY 221 Ca -0.12 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 3i1a n GLY 221 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1a n ASN 222 N 0.00 2.85 -0.43 1.61 4.05 -1.26 -1.15 115.26 120.93 3i1a n ASN 222 Ca 0.00 1.16 -0.06 0.00 0.45 0.00 0.00 54.58 56.13 3i1a n ASN 222 Cb 0.00 -1.46 -0.02 0.00 1.23 0.00 0.00 39.78 39.53 3i1a n ASN 222 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3i1a n GLU 223 N 1.65 -1.07 -1.47 1.20 2.13 -1.26 -2.13 120.64 119.69 3i1a n GLU 223 Ca 0.09 0.58 -0.16 0.00 0.66 0.00 0.00 57.16 58.34 3i1a n GLU 223 Cb 0.33 -4.55 -0.07 0.00 0.27 0.00 0.00 31.44 27.42 3i1a n GLU 223 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3i1a n GLU 224 N -1.47 -1.13 -2.62 5.31 2.13 -0.30 -4.98 120.64 117.58 3i1a n GLU 224 Ca -0.06 1.07 -0.30 0.00 0.66 0.00 0.00 57.16 58.53 3i1a n GLU 224 Cb 0.35 -5.26 -0.02 0.00 0.27 0.00 0.00 31.44 26.78 3i1a n GLU 224 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i1a s SER 225 N -2.83 6.49 0.41 4.31 0.15 -0.91 -4.79 113.70 116.54 3i1a s SER 225 Ca 0.00 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.88 3i1a s SER 225 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 3i1a s SER 225 CO 0.00 -0.51 0.65 0.27 1.20 0.00 0.00 173.24 174.85 3i1a s ILE 226 N -2.55 4.83 -0.02 6.45 -4.36 -1.26 -0.36 121.20 123.92 3i1a s ILE 226 Ca 0.53 -0.25 -0.00 0.00 -0.26 0.00 0.00 60.65 60.67 3i1a s ILE 226 Cb -0.10 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 39.83 3i1a s ILE 226 CO 0.35 -0.61 0.03 -0.31 0.24 0.00 0.00 174.94 174.64 3i1a s TYR 227 N -2.51 -0.00 -0.23 1.37 2.02 0.50 -4.65 117.35 113.85 3i1a s TYR 227 Ca 0.44 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 57.14 3i1a s TYR 227 Cb -0.10 -0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.28 3i1a s TYR 227 CO 0.39 -0.06 0.24 0.42 -1.57 0.00 0.00 175.55 174.96 3i1a s ILE 228 N 0.68 5.31 0.47 2.71 1.01 -0.25 -0.25 121.20 130.87 3i1a s ILE 228 Ca -0.06 0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.98 3i1a s ILE 228 Cb -0.08 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3i1a s ILE 228 CO -0.02 0.31 0.17 0.27 0.00 0.00 0.00 174.94 175.67 3i1a s ILE 229 N 1.21 1.80 -0.42 2.92 -4.36 0.36 -4.56 121.20 118.14 3i1a s ILE 229 Ca 0.11 -1.75 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 3i1a s ILE 229 Cb -0.14 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.02 3i1a s ILE 229 CO 0.06 0.00 0.45 -0.67 0.24 0.00 0.00 174.94 175.02 3i1a n ASP 230 N -1.35 -6.01 -2.17 4.36 -0.08 -1.26 -4.85 116.55 105.18 3i1a n ASP 230 Ca -0.06 0.12 -0.24 0.00 -1.51 0.00 0.00 54.79 53.10 3i1a n ASP 230 Cb 0.65 -3.98 0.17 0.00 2.34 0.00 0.00 41.12 40.31 3i1a n ASP 230 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 3i1a n TRP 231 N -1.05 2.96 0.11 -0.67 7.02 -1.26 -4.58 117.44 119.96 3i1a n TRP 231 Ca 0.03 -1.95 -0.04 0.00 -1.02 0.00 0.00 57.50 54.52 3i1a n TRP 231 Cb 0.42 -0.97 0.10 0.00 -2.42 0.00 0.00 31.31 28.45 3i1a n TRP 231 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3i1a h ASP 232 N 1.10 0.12 -2.06 -0.99 3.32 -1.94 -3.37 116.42 112.60 3i1a h ASP 232 Ca 0.61 -0.08 -0.51 0.00 0.02 0.00 0.00 57.03 57.06 3i1a h ASP 232 Cb 2.60 -0.04 -0.40 0.00 0.22 0.00 0.00 39.33 41.71 3i1a h ASP 232 CO 1.11 0.78 -1.06 -0.62 -1.72 0.00 0.00 179.24 177.72 3i1a n GLU 233 N -3.76 1.44 -1.06 3.56 -0.58 -1.26 -4.51 120.64 114.47 3i1a n GLU 233 Ca -0.02 -3.70 -0.30 0.00 -0.42 0.00 0.00 57.16 52.72 3i1a n GLU 233 Cb 0.68 -1.78 0.24 0.00 -0.57 0.00 0.00 31.44 30.01 3i1a n GLU 233 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3i1a s PRO 234 N -2.51 -1.32 0.19 3.49 0.04 -1.26 -4.75 135.00 128.88 3i1a s PRO 234 Ca 0.41 -0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.14 3i1a s PRO 234 Cb 0.31 -1.59 0.06 0.00 0.04 0.00 0.00 34.50 33.33 3i1a s PRO 234 CO -0.09 -3.78 0.94 0.00 0.04 0.00 0.00 177.00 174.11 3i1a s MET 235 N -5.41 1.35 -0.21 4.56 0.23 -0.68 -4.47 119.30 114.66 3i1a s MET 235 Ca 0.71 -0.78 -0.06 0.00 -1.03 0.00 0.00 55.69 54.53 3i1a s MET 235 Cb -0.09 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 3i1a s MET 235 CO 0.56 -0.62 0.04 -0.51 -2.03 0.00 0.00 175.02 172.46 3i1a s LEU 236 N -3.02 3.44 0.20 0.18 1.43 -0.49 -0.41 118.68 120.00 3i1a s LEU 236 Ca 0.14 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3i1a s LEU 236 Cb -0.02 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.37 3i1a s LEU 236 CO 0.04 0.05 0.93 0.00 0.23 0.00 0.00 176.35 177.60 3i1a s ALA 237 N 1.10 -1.50 0.56 4.21 0.00 -0.76 -1.76 121.76 123.62 3i1a s ALA 237 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 3i1a s ALA 237 Cb -0.14 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 3i1a s ALA 237 CO 0.02 -1.04 1.34 -2.14 0.00 0.00 0.00 175.76 173.94 3i1a s PRO 238 N -3.06 3.04 0.58 0.00 0.02 -1.26 -0.32 135.00 134.00 3i1a s PRO 238 Ca 0.14 2.19 0.28 0.00 0.02 0.00 0.00 61.00 63.64 3i1a s PRO 238 Cb -0.03 -2.18 1.51 0.00 0.02 0.00 0.00 34.50 33.82 3i1a s PRO 238 CO 0.04 -1.25 1.97 1.57 -0.33 0.00 0.00 177.00 179.00 3i1a h LYS 239 N 1.30 0.00 0.00 5.54 2.10 -1.90 -0.50 116.57 123.11 3i1a h LYS 239 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3i1a h LYS 239 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3i1a h LYS 239 CO 0.57 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.95 3i1a h GLU 240 N 0.00 0.00 -0.91 0.07 3.07 -1.94 -1.10 114.58 113.77 3i1a h GLU 240 Ca 0.19 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.15 3i1a h GLU 240 Cb 0.98 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.82 3i1a h GLU 240 CO -0.00 0.00 0.59 -0.09 -1.40 0.00 0.00 179.01 178.10 3i1a h ARG 241 N 0.00 0.87 0.06 2.33 9.65 -1.42 -1.67 114.38 124.20 3i1a h ARG 241 Ca 0.00 -0.05 -0.37 0.00 -1.10 0.00 0.00 59.98 58.46 3i1a h ARG 241 Cb 0.09 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 3i1a h ARG 241 CO 0.00 0.58 -2.16 -0.25 2.80 0.00 0.00 179.97 180.94 3i1a n ASP 242 N -4.54 1.76 0.29 -3.80 8.00 -0.50 -4.42 116.55 113.34 3i1a n ASP 242 Ca 0.16 0.10 0.15 0.00 0.71 0.00 0.00 54.79 55.91 3i1a n ASP 242 Cb 0.32 -0.47 0.86 0.00 -0.02 0.00 0.00 41.12 41.81 3i1a n ASP 242 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i1a h LEU 243 N 0.03 0.00 -2.70 0.64 3.38 -1.15 -2.52 115.31 112.99 3i1a h LEU 243 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3i1a h LEU 243 Cb 2.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 3i1a h LEU 243 CO 0.02 0.05 0.01 0.00 0.09 0.00 0.00 178.44 178.62 3i1a h MET 244 N 0.00 0.00 0.00 1.13 -0.00 -1.52 -1.42 114.93 113.13 3i1a h MET 244 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.63 3i1a h MET 244 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 3i1a h MET 244 CO 0.01 0.00 -0.31 0.74 -0.00 0.00 0.00 176.91 177.35 3i1a h PHE 245 N 0.00 0.00 -3.32 -0.10 -1.00 -1.73 -3.23 116.94 107.56 3i1a h PHE 245 Ca 0.00 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.22 3i1a h PHE 245 Cb 0.03 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 3i1a h PHE 245 CO 0.00 0.31 1.03 0.42 -1.61 0.00 0.00 178.31 178.45 3i1a s ILE 246 N -3.31 4.01 0.00 -0.55 -1.09 -0.54 -1.25 121.20 118.47 3i1a s ILE 246 Ca 0.03 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 3i1a s ILE 246 Cb 0.08 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3i1a s ILE 246 CO 0.68 -0.73 0.00 0.61 -1.23 0.00 0.00 174.94 174.27 3i1a n GLY 247 N 4.87 0.66 0.23 6.18 0.00 -1.07 -4.92 105.19 111.13 3i1a n GLY 247 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3i1a n GLY 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1a h GLY 248 N 0.00 0.00 -0.05 -0.02 0.00 -0.48 -3.42 103.07 99.10 3i1a h GLY 248 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3i1a h GLY 248 CO 0.00 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.13 3i1a n GLY 249 N 0.69 0.49 3.66 4.60 0.00 0.39 -4.40 105.19 110.62 3i1a n GLY 249 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3i1a n GLY 249 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1a s VAL 250 N -1.94 3.29 0.00 1.61 1.01 -1.22 -1.21 120.40 121.94 3i1a s VAL 250 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3i1a s VAL 250 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3i1a s VAL 250 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3i1a n GLY 251 N 4.35 0.52 2.42 4.51 0.00 -1.26 -3.86 105.19 111.88 3i1a n GLY 251 Ca 0.19 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 3i1a n GLY 251 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1a n ASN 252 N 1.07 -5.43 -4.20 1.61 5.15 -0.35 -4.99 115.26 108.12 3i1a n ASN 252 Ca 0.00 -0.05 -0.13 0.00 -0.60 0.00 0.00 54.58 53.80 3i1a n ASN 252 Cb 0.00 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 34.69 3i1a n ASN 252 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i1a s VAL 253 N -2.95 0.08 -1.05 3.44 -7.23 -1.25 -4.91 120.40 106.53 3i1a s VAL 253 Ca 0.04 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 3i1a s VAL 253 Cb -0.02 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3i1a s VAL 253 CO 0.04 0.00 0.88 0.79 -0.31 0.00 0.00 175.10 176.50 3i1a n TRP 254 N -0.31 -2.01 -1.98 2.82 7.02 -1.26 -3.46 117.44 118.26 3i1a n TRP 254 Ca 0.02 0.83 0.00 0.00 -1.02 0.00 0.00 57.50 57.33 3i1a n TRP 254 Cb 0.66 -4.59 0.01 0.00 -2.42 0.00 0.00 31.31 24.96 3i1a n TRP 254 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3i1a n ASN 255 N -2.94 0.11 -4.48 -0.99 0.23 -1.26 -0.46 115.26 105.48 3i1a n ASN 255 Ca -0.22 -2.04 -0.33 0.00 -0.53 0.00 0.00 54.58 51.46 3i1a n ASN 255 Cb 0.64 -0.21 -0.13 0.00 -2.08 0.00 0.00 39.78 38.00 3i1a n ASN 255 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3i1a s LYS 256 N -0.11 2.72 0.26 -3.83 1.02 -1.26 -4.98 119.74 113.56 3i1a s LYS 256 Ca 0.02 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 3i1a s LYS 256 Cb 0.02 -2.47 0.55 0.00 -0.52 0.00 0.00 37.83 35.41 3i1a s LYS 256 CO -0.00 0.55 1.70 -1.35 -0.92 0.00 0.00 175.35 175.33 3i1a h PRO 257 N 5.58 0.33 0.00 -1.68 0.11 -1.99 -1.76 132.00 132.60 3i1a h PRO 257 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3i1a h PRO 257 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i1a h PRO 257 CO 0.52 0.22 -0.16 1.12 -0.21 0.00 0.00 178.00 179.49 3i1a h HIS 258 N 0.34 0.00 -0.46 0.65 2.07 -1.99 -1.86 115.15 113.90 3i1a h HIS 258 Ca 0.46 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.86 3i1a h HIS 258 Cb 0.81 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.78 3i1a h HIS 258 CO -0.21 0.16 -0.18 0.93 -3.07 0.00 0.00 177.93 175.56 3i1a h GLU 259 N 0.00 0.93 -0.50 5.12 5.08 -1.75 -1.37 114.58 122.10 3i1a h GLU 259 Ca -0.00 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 3i1a h GLU 259 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3i1a h GLU 259 CO 0.02 1.05 0.20 0.82 -1.00 0.00 0.00 179.01 180.11 3i1a h ILE 260 N 0.77 1.21 -0.28 3.13 2.04 -1.26 -0.48 117.51 122.65 3i1a h ILE 260 Ca 0.11 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3i1a h ILE 260 Cb 0.75 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3i1a h ILE 260 CO 0.06 0.25 0.17 -0.61 0.00 0.00 0.00 178.15 178.01 3i1a h GLN 261 N 0.67 0.37 -0.42 2.37 4.15 -1.16 -1.24 115.11 119.85 3i1a h GLN 261 Ca 0.17 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3i1a h GLN 261 Cb 0.19 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3i1a h GLN 261 CO -0.01 0.29 0.03 1.88 -1.93 0.00 0.00 178.83 179.09 3i1a h TYR 262 N 0.35 0.78 0.02 3.99 0.99 -1.17 -1.63 116.97 120.30 3i1a h TYR 262 Ca 0.10 -0.12 0.02 0.00 2.00 0.00 0.00 58.73 60.73 3i1a h TYR 262 Cb 0.02 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 37.51 3i1a h TYR 262 CO -0.04 0.77 -0.16 0.35 -0.00 0.00 0.00 178.16 179.07 3i1a h PHE 263 N 0.56 -0.43 0.00 4.88 3.57 -0.88 -2.50 116.94 122.15 3i1a h PHE 263 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3i1a h PHE 263 Cb 0.44 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3i1a h PHE 263 CO 0.03 -0.24 -0.17 1.88 -2.23 0.00 0.00 178.31 177.58 3i1a h TYR 264 N -0.28 0.00 -0.22 0.41 -1.99 -1.18 0.11 116.97 113.82 3i1a h TYR 264 Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 3i1a h TYR 264 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3i1a h TYR 264 CO -0.21 0.17 -0.04 1.49 -0.00 0.00 0.00 178.16 179.57 3i1a h GLU 265 N 0.00 0.33 0.17 4.88 4.81 -0.87 0.78 114.58 124.68 3i1a h GLU 265 Ca -0.00 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.83 3i1a h GLU 265 Cb 0.59 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.93 3i1a h GLU 265 CO 0.02 0.40 -1.66 0.78 -0.73 0.00 0.00 179.01 177.82 3i1a h GLY 266 N 0.70 0.42 1.51 1.92 0.00 -0.79 -3.36 103.07 103.48 3i1a h GLY 266 Ca 0.07 -1.08 -0.15 0.00 0.00 0.00 0.00 47.33 46.17 3i1a h GLY 266 CO 0.01 0.94 -0.51 -1.82 0.00 0.00 0.00 176.54 175.16 3i1a h TYR 267 N 0.10 0.64 0.00 5.60 3.20 -0.75 -3.13 116.97 122.63 3i1a h TYR 267 Ca -0.30 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.35 3i1a h TYR 267 Cb 2.08 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.23 3i1a h TYR 267 CO 0.09 0.92 0.00 0.41 -1.64 0.00 0.00 178.16 177.94 3i1a n GLY 268 N 0.17 1.67 3.60 1.82 0.00 0.26 -4.83 105.19 107.88 3i1a n GLY 268 Ca -0.03 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3i1a n GLY 268 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1a s GLU 269 N 0.00 3.55 0.00 1.61 2.56 -1.26 -4.87 118.70 120.28 3i1a s GLU 269 Ca 0.00 0.91 0.23 0.00 0.00 0.00 0.00 54.97 56.12 3i1a s GLU 269 Cb 0.00 -4.04 0.26 0.00 2.00 0.00 0.00 34.13 32.35 3i1a s GLU 269 CO 0.00 -1.60 1.29 0.44 -0.56 0.00 0.00 175.26 174.83 3i1a n ILE 270 N 7.09 0.15 -2.88 -3.70 -5.35 -1.26 -4.76 119.36 108.65 3i1a n ILE 270 Ca 0.16 -0.58 -0.43 0.00 -0.27 0.00 0.00 62.75 61.63 3i1a n ILE 270 Cb 0.48 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.69 3i1a n ILE 270 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3i1a s ASN 271 N -1.81 6.48 -0.15 7.28 0.01 -1.26 -4.97 114.94 120.52 3i1a s ASN 271 Ca 0.31 -1.69 -0.03 0.00 -0.71 0.00 0.00 52.86 50.75 3i1a s ASN 271 Cb 0.20 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 3i1a s ASN 271 CO 0.30 -1.21 -0.07 -0.69 -1.51 0.00 0.00 177.10 173.93 3i1a s VAL 272 N 3.26 3.64 -0.47 1.60 1.01 -1.26 -5.06 120.40 123.11 3i1a s VAL 272 Ca 0.30 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3i1a s VAL 272 Cb -0.08 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3i1a s VAL 272 CO -0.04 0.50 1.43 -0.62 0.00 0.00 0.00 175.10 176.37 3i1a s ASP 273 N 0.36 6.23 0.49 3.32 -1.08 -1.26 -4.88 116.67 119.85 3i1a s ASP 273 Ca -0.06 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 52.81 3i1a s ASP 273 Cb -0.15 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.03 3i1a s ASP 273 CO 0.04 -1.56 2.01 0.50 0.52 0.00 0.00 175.17 176.68 3i1a h LYS 274 N 10.96 0.00 -0.10 4.34 3.64 -1.98 -0.52 116.57 132.92 3i1a h LYS 274 Ca -0.27 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 3i1a h LYS 274 Cb 1.10 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3i1a h LYS 274 CO 1.12 0.17 -0.57 1.15 -2.27 0.00 0.00 179.45 179.05 3i1a h THR 275 N 0.00 1.35 -0.17 1.00 2.02 -1.97 -0.93 112.91 114.22 3i1a h THR 275 Ca -0.00 -1.88 -0.17 0.00 0.77 0.00 0.00 66.41 65.13 3i1a h THR 275 Cb 0.40 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3i1a h THR 275 CO 0.02 0.57 -0.58 0.40 0.37 0.00 0.00 175.52 176.30 3i1a h ILE 276 N 0.18 1.33 -0.52 3.11 2.04 -1.88 -0.86 117.51 120.91 3i1a h ILE 276 Ca -0.04 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.93 3i1a h ILE 276 Cb 1.22 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 3i1a h ILE 276 CO 0.12 0.57 0.14 0.25 0.00 0.00 0.00 178.15 179.23 3i1a h LEU 277 N 0.41 0.77 -0.67 1.44 5.85 -1.08 -1.69 115.31 120.34 3i1a h LEU 277 Ca 0.00 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.38 3i1a h LEU 277 Cb 1.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3i1a h LEU 277 CO 0.11 0.79 -0.30 -1.28 -0.34 0.00 0.00 178.44 177.42 3i1a h SER 278 N 0.72 0.73 -0.18 1.25 0.87 -1.09 -2.59 113.55 113.25 3i1a h SER 278 Ca 0.17 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3i1a h SER 278 Cb 0.31 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3i1a h SER 278 CO -0.00 0.98 0.02 0.22 -0.53 0.00 0.00 176.83 177.52 3i1a h TYR 279 N 0.60 0.03 -0.73 2.24 3.20 -0.84 -1.94 116.97 119.53 3i1a h TYR 279 Ca 0.07 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3i1a h TYR 279 Cb 0.81 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3i1a h TYR 279 CO 0.04 0.00 0.23 1.88 -1.64 0.00 0.00 178.16 178.67 3i1a h TYR 280 N 0.08 1.17 -0.57 -3.82 0.05 -1.20 0.13 116.97 112.81 3i1a h TYR 280 Ca 0.08 -0.11 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 3i1a h TYR 280 Cb 0.08 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 3i1a h TYR 280 CO -0.15 0.92 0.09 0.00 -1.05 0.00 0.00 178.16 177.97 3i1a h ARG 281 N 1.08 0.92 -0.05 4.88 3.08 -1.29 0.97 114.38 123.97 3i1a h ARG 281 Ca 0.24 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3i1a h ARG 281 Cb 0.30 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.23 3i1a h ARG 281 CO -0.01 0.86 -0.40 0.45 -1.07 0.00 0.00 179.97 179.80 3i1a h HIS 282 N 0.87 0.50 -0.52 3.04 3.86 -1.17 -3.24 115.15 118.50 3i1a h HIS 282 Ca 0.18 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.10 3i1a h HIS 282 Cb 0.39 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3i1a h HIS 282 CO 0.02 1.00 0.10 1.49 0.86 0.00 0.00 177.93 181.41 3i1a h GLU 283 N -0.15 0.81 -0.45 2.45 4.57 -0.59 -1.56 114.58 119.66 3i1a h GLU 283 Ca -0.04 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 3i1a h GLU 283 Cb 1.08 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 3i1a h GLU 283 CO 0.08 0.75 0.07 -0.09 -1.18 0.00 0.00 179.01 178.64 3i1a h ARG 284 N 0.77 0.69 -0.40 1.92 2.43 -0.91 -0.79 114.38 118.10 3i1a h ARG 284 Ca 0.17 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3i1a h ARG 284 Cb 0.33 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3i1a h ARG 284 CO 0.00 0.66 -0.31 0.82 -1.51 0.00 0.00 179.97 179.64 3i1a h ILE 285 N 0.67 1.27 -0.75 1.20 2.04 -1.45 -2.31 117.51 118.18 3i1a h ILE 285 Ca 0.15 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.59 3i1a h ILE 285 Cb 0.31 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.66 3i1a h ILE 285 CO 0.00 0.50 0.45 0.58 0.00 0.00 0.00 178.15 179.68 3i1a h VAL 286 N 0.74 1.02 -0.36 1.67 2.07 -0.82 0.17 116.25 120.74 3i1a h VAL 286 Ca 0.08 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3i1a h VAL 286 Cb 0.89 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3i1a h VAL 286 CO 0.08 0.15 0.21 -0.08 0.02 0.00 0.00 177.57 177.95 3i1a h GLU 287 N 0.83 0.49 -0.34 1.57 4.81 -0.95 -1.14 114.58 119.85 3i1a h GLU 287 Ca 0.33 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3i1a h GLU 287 Cb 0.15 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3i1a h GLU 287 CO -0.17 0.39 -0.10 -0.44 -0.73 0.00 0.00 179.01 177.96 3i1a h ASP 288 N 0.46 0.55 -0.41 1.04 3.32 -0.83 -1.09 116.42 119.46 3i1a h ASP 288 Ca 0.13 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3i1a h ASP 288 Cb 0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3i1a h ASP 288 CO -0.02 0.69 -0.04 0.40 -1.72 0.00 0.00 179.24 178.55 3i1a h ILE 289 N 0.53 1.25 -0.21 0.35 2.04 -0.29 0.30 117.51 121.48 3i1a h ILE 289 Ca 0.10 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 3i1a h ILE 289 Cb 0.50 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3i1a h ILE 289 CO 0.03 0.38 0.03 0.00 0.00 0.00 0.00 178.15 178.59 3i1a h ALA 290 N 1.18 0.28 0.23 1.87 0.00 -0.65 0.25 119.26 122.43 3i1a h ALA 290 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i1a h ALA 290 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i1a h ALA 290 CO 0.03 -0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.41 3i1a h VAL 291 N 0.15 0.78 -0.02 0.00 2.07 -1.02 -2.13 116.25 116.09 3i1a h VAL 291 Ca 0.06 -0.84 -0.19 0.00 0.82 0.00 0.00 66.70 66.56 3i1a h VAL 291 Cb 0.33 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3i1a h VAL 291 CO 0.00 0.16 -0.81 1.88 0.02 0.00 0.00 177.57 178.83 3i1a h TYR 292 N -0.79 0.30 -0.67 1.57 -1.99 -1.04 -2.69 116.97 111.66 3i1a h TYR 292 Ca -0.03 -0.15 -0.03 0.00 2.00 0.00 0.00 58.73 60.51 3i1a h TYR 292 Cb 0.51 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 3i1a h TYR 292 CO 0.05 0.93 0.29 0.78 -0.00 0.00 0.00 178.16 180.22 3i1a h GLY 293 N 1.74 1.05 1.50 3.88 0.00 -0.59 -2.25 103.07 108.40 3i1a h GLY 293 Ca -0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3i1a h GLY 293 CO 0.12 0.52 0.04 -1.61 0.00 0.00 0.00 176.54 175.61 3i1a h GLN 294 N 0.93 0.62 0.00 4.80 5.75 -1.30 -0.79 115.11 125.12 3i1a h GLN 294 Ca 0.23 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3i1a h GLN 294 Cb 0.16 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 3i1a h GLN 294 CO -0.02 0.62 -0.15 0.22 -2.65 0.00 0.00 178.83 176.85 3i1a h ASP 295 N 0.60 0.00 0.65 -0.69 3.58 -1.08 -0.19 116.42 119.29 3i1a h ASP 295 Ca 0.13 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.31 3i1a h ASP 295 Cb 0.32 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 3i1a h ASP 295 CO 0.01 0.15 -1.46 -0.07 -2.88 0.00 0.00 179.24 174.99 3i1a h LEU 296 N 0.00 0.05 -0.16 2.28 -0.00 -0.80 -3.32 115.31 113.36 3i1a h LEU 296 Ca -0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 3i1a h LEU 296 Cb 0.29 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3i1a h LEU 296 CO 0.02 1.07 -0.00 -0.07 -0.00 0.00 0.00 178.44 179.45 3i1a h LEU 297 N 0.01 0.00-10.24 1.67 3.38 -0.85 -3.35 115.31 105.93 3i1a h LEU 297 Ca -0.19 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.20 3i1a h LEU 297 Cb 1.93 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.62 3i1a h LEU 297 CO 0.11 0.00 -0.35 -0.44 0.09 0.00 0.00 178.44 177.85 3i1a s SER 298 N -6.16 4.61 -0.37 -0.43 0.01 -0.11 -5.04 113.70 106.21 3i1a s SER 298 Ca 0.06 -1.19 0.10 0.00 1.31 0.00 0.00 55.95 56.23 3i1a s SER 298 Cb 0.05 0.18 0.44 0.00 0.21 0.00 0.00 66.02 66.91 3i1a s SER 298 CO 0.66 -0.96 1.07 0.54 0.41 0.00 0.00 173.24 174.96 3i1a n ARG 299 N -1.63 2.65 0.08 12.44 5.12 -1.26 -4.82 116.66 129.24 3i1a n ARG 299 Ca -0.02 -4.02 -0.07 0.00 -1.93 0.00 0.00 57.85 51.80 3i1a n ARG 299 Cb 0.64 -1.91 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 3i1a n ARG 299 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3i1a h ASN 300 N 2.66 0.10 -1.80 0.55 2.35 -1.92 -3.46 115.58 114.06 3i1a h ASN 300 Ca 0.16 -0.09 -0.60 0.00 -0.55 0.00 0.00 56.30 55.22 3i1a h ASN 300 Cb 1.10 -0.03 -0.11 0.00 0.05 0.00 0.00 38.32 39.32 3i1a h ASN 300 CO 0.69 0.96 -0.60 -1.10 -1.65 0.00 0.00 177.43 175.72 3i1a s GLN 301 N -3.00 2.02 0.94 0.81 -0.21 -1.26 -5.13 119.66 113.83 3i1a s GLN 301 Ca -0.01 -1.90 -0.12 0.00 0.02 0.00 0.00 55.36 53.35 3i1a s GLN 301 Cb 0.10 -1.82 0.15 0.00 1.00 0.00 0.00 33.01 32.45 3i1a s GLN 301 CO 0.82 0.04 1.09 0.54 -2.12 0.00 0.00 175.29 175.66 3i1a s ASN 302 N -3.73 3.12 0.49 5.90 2.20 -1.26 -4.74 114.94 116.93 3i1a s ASN 302 Ca 0.35 1.32 0.23 0.00 -0.94 0.00 0.00 52.86 53.83 3i1a s ASN 302 Cb 0.04 -1.99 1.29 0.00 -2.00 0.00 0.00 41.25 38.58 3i1a s ASN 302 CO 0.19 -2.84 2.03 0.78 -2.94 0.00 0.00 177.10 174.32 3i1a h ASN 303 N -1.69 0.00 -0.46 3.54 2.35 -1.98 -1.02 115.58 116.32 3i1a h ASN 303 Ca -0.52 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.11 3i1a h ASN 303 Cb 1.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 3i1a h ASN 303 CO 0.56 0.16 -0.21 1.56 -1.65 0.00 0.00 177.43 177.85 3i1a h GLN 304 N 0.00 0.96 -0.33 0.81 7.50 -1.99 -0.75 115.11 121.30 3i1a h GLN 304 Ca -0.00 -0.41 -0.11 0.00 0.50 0.00 0.00 58.65 58.63 3i1a h GLN 304 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 3i1a h GLN 304 CO 0.02 1.08 -0.22 1.03 -1.50 0.00 0.00 178.83 179.24 3i1a h SER 305 N 0.80 0.77 -0.53 1.46 0.87 -1.78 -2.55 113.55 112.58 3i1a h SER 305 Ca 0.10 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 3i1a h SER 305 Cb 0.78 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3i1a h SER 305 CO 0.06 1.03 0.20 0.03 -0.53 0.00 0.00 176.83 177.63 3i1a h ARG 306 N 0.51 0.85 -0.47 2.24 3.08 -1.11 -1.40 114.38 118.07 3i1a h ARG 306 Ca 0.07 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3i1a h ARG 306 Cb 0.77 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3i1a h ARG 306 CO 0.06 0.71 0.05 1.25 -1.07 0.00 0.00 179.97 180.97 3i1a h LEU 307 N 0.83 0.70 -0.64 3.04 5.85 -0.98 -1.11 115.31 123.00 3i1a h LEU 307 Ca 0.19 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3i1a h LEU 307 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3i1a h LEU 307 CO -0.01 0.74 0.22 -0.33 -0.34 0.00 0.00 178.44 178.72 3i1a h GLU 308 N 0.71 0.99 -0.96 1.25 5.08 -0.87 -1.17 114.58 119.61 3i1a h GLU 308 Ca 0.15 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3i1a h GLU 308 Cb 0.36 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3i1a h GLU 308 CO 0.01 0.85 0.63 0.77 -1.00 0.00 0.00 179.01 180.28 3i1a h SER 309 N 0.92 1.10 -0.52 1.42 0.02 -0.88 -1.08 113.55 114.53 3i1a h SER 309 Ca 0.21 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3i1a h SER 309 Cb 0.26 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3i1a h SER 309 CO -0.01 0.80 0.14 0.15 -1.14 0.00 0.00 176.83 176.77 3i1a h PHE 310 N 1.30 0.85 -0.61 3.45 3.57 -0.67 0.94 116.94 125.77 3i1a h PHE 310 Ca 0.35 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3i1a h PHE 310 Cb -0.15 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 3i1a h PHE 310 CO -0.00 0.74 0.26 0.87 -2.23 0.00 0.00 178.31 177.95 3i1a h LYS 311 N 0.72 0.90 -0.15 1.11 1.57 -0.89 -0.49 116.57 119.32 3i1a h LYS 311 Ca 0.17 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i1a h LYS 311 Cb 0.31 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3i1a h LYS 311 CO -0.00 0.75 0.08 -0.92 -0.57 0.00 0.00 179.45 178.79 3i1a h TYR 312 N 0.84 0.22 -0.57 -1.35 3.20 -0.82 -0.82 116.97 117.66 3i1a h TYR 312 Ca 0.20 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3i1a h TYR 312 Cb 0.17 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3i1a h TYR 312 CO 0.01 0.23 0.26 0.35 -1.64 0.00 0.00 178.16 177.37 3i1a h PHE 313 N 0.14 0.46 -0.23 -3.82 3.57 -0.56 -2.74 116.94 113.76 3i1a h PHE 313 Ca 0.05 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 3i1a h PHE 313 Cb 0.09 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3i1a h PHE 313 CO -0.03 0.18 -0.45 0.87 -2.23 0.00 0.00 178.31 176.65 3i1a h LYS 314 N 0.48 0.58 -0.13 1.11 1.57 -0.75 -2.99 116.57 116.43 3i1a h LYS 314 Ca 0.27 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3i1a h LYS 314 Cb 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3i1a h LYS 314 CO -0.23 0.91 0.10 0.93 -0.57 0.00 0.00 179.45 180.59 3i1a h GLU 315 N 0.47 0.00 -0.02 3.15 5.08 -0.85 -1.06 114.58 121.34 3i1a h GLU 315 Ca 0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3i1a h GLU 315 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3i1a h GLU 315 CO 0.09 0.00 0.03 0.52 -1.00 0.00 0.00 179.01 178.64 3i1a h MET 316 N 0.00 0.00 -0.33 2.33 2.86 -1.38 -1.37 114.93 117.04 3i1a h MET 316 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3i1a h MET 316 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3i1a h MET 316 CO -0.00 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.16 3i1a n PHE 317 N -3.83 0.43 -1.53 -0.22 3.01 -0.40 -2.05 117.46 112.86 3i1a n PHE 317 Ca -0.02 -0.21 -0.31 0.00 1.01 0.00 0.00 57.45 57.92 3i1a n PHE 317 Cb 0.11 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.66 3i1a n PHE 317 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i1a s ASP 318 N -1.45 4.88 0.15 4.37 1.01 -0.52 -4.92 116.67 120.19 3i1a s ASP 318 Ca 0.36 1.50 -0.34 0.00 0.71 0.00 0.00 52.55 54.77 3i1a s ASP 318 Cb 0.20 -2.29 -0.14 0.00 1.01 0.00 0.00 42.92 41.70 3i1a s ASP 318 CO 0.29 -1.75 1.52 -2.65 0.21 0.00 0.00 175.17 172.79 3i1a n PRO 319 N -3.31 1.94 -1.38 8.23 -0.02 -1.26 -1.25 135.00 137.95 3i1a n PRO 319 Ca 0.07 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 3i1a n PRO 319 Cb 0.55 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 3i1a n PRO 319 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i1a n ASN 320 N 3.17 -4.72 -1.63 2.55 5.03 -1.26 -5.00 115.26 113.39 3i1a n ASN 320 Ca 0.17 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.94 3i1a n ASN 320 Cb 0.27 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.66 3i1a n ASN 320 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3i1a n ASN 321 N -0.30 0.00 -0.33 6.41 2.85 -0.38 -4.84 115.26 118.66 3i1a n ASN 321 Ca -0.13 -0.76 0.04 0.00 -0.11 0.00 0.00 54.58 53.62 3i1a n ASN 321 Cb 0.45 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.69 3i1a n ASN 321 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3i1a h VAL 322 N -0.12 1.06 -0.06 3.44 -1.51 -1.69 -2.50 116.25 114.86 3i1a h VAL 322 Ca 0.00 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 3i1a h VAL 322 Cb 0.00 -0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 29.04 3i1a h VAL 322 CO 0.00 0.20 0.00 0.58 -1.23 0.00 0.00 177.57 177.12 3i1a h VAL 323 N 1.08 1.24 -0.46 7.19 2.07 -1.75 -0.50 116.25 125.11 3i1a h VAL 323 Ca 0.42 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3i1a h VAL 323 Cb 0.23 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3i1a h VAL 323 CO -0.17 0.20 0.26 -0.08 0.02 0.00 0.00 177.57 177.80 3i1a h GLU 324 N -0.17 0.51 -0.65 1.57 4.81 -1.76 -1.43 114.58 117.46 3i1a h GLU 324 Ca 0.02 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3i1a h GLU 324 Cb 0.31 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3i1a h GLU 324 CO 0.00 0.34 0.19 0.82 -0.73 0.00 0.00 179.01 179.63 3i1a h ILE 325 N 0.52 1.24 -0.05 2.32 2.04 -1.39 -0.62 117.51 121.57 3i1a h ILE 325 Ca 0.19 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3i1a h ILE 325 Cb 0.04 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3i1a h ILE 325 CO -0.10 0.33 0.03 0.00 0.00 0.00 0.00 178.15 178.41 3i1a h ALA 326 N 1.24 0.07 -1.01 1.87 0.00 -0.55 -1.66 119.26 119.23 3i1a h ALA 326 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i1a h ALA 326 Cb 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3i1a h ALA 326 CO -0.01 -0.37 0.67 0.74 0.00 0.00 0.00 179.25 180.28 3i1a h PHE 327 N -0.03 1.26 0.00 0.00 0.04 -1.02 -0.22 116.94 116.97 3i1a h PHE 327 Ca 0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3i1a h PHE 327 Cb 0.11 -0.43 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 3i1a h PHE 327 CO -0.04 0.78 -0.07 0.00 -0.60 0.00 0.00 178.31 178.38 3i1a h ALA 328 N 1.38 1.12 0.04 2.45 0.00 -0.82 -2.73 119.26 120.70 3i1a h ALA 328 Ca 0.37 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.99 3i1a h ALA 328 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i1a h ALA 328 CO -0.09 0.09 -1.03 1.15 0.00 0.00 0.00 179.25 179.37 3i1a h THR 329 N 0.00 1.45 0.00 0.00 2.02 -0.08 -3.51 112.91 112.79 3i1a h THR 329 Ca -0.00 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.49 3i1a h THR 329 Cb 0.34 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3i1a h THR 329 CO 0.01 0.79 0.00 1.21 0.37 0.00 0.00 175.52 177.90