#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea1 n SER 2 N 0.00 0.48 -4.58 0.00 3.41 -1.26 -4.49 113.62 107.18 3ea1 n SER 2 Ca 0.00 -2.66 -0.29 0.00 -0.26 0.00 0.00 58.87 55.66 3ea1 n SER 2 Cb 0.00 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.24 3ea1 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ea1 s SER 3 N -0.73 4.37 0.44 4.04 0.15 -1.26 -5.01 113.70 115.70 3ea1 s SER 3 Ca 0.33 -0.42 0.11 0.00 0.70 0.00 0.00 55.95 56.68 3ea1 s SER 3 Cb 0.08 -0.82 0.98 0.00 -1.71 0.00 0.00 66.02 64.55 3ea1 s SER 3 CO -0.15 0.16 2.04 0.58 1.20 0.00 0.00 173.24 177.07 3ea1 h VAL 4 N 3.17 1.09 0.00 4.45 2.07 -1.99 -0.77 116.25 124.27 3ea1 h VAL 4 Ca -0.49 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3ea1 h VAL 4 Cb 1.17 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3ea1 h VAL 4 CO 0.52 0.12 0.00 0.78 0.02 0.00 0.00 177.57 179.01 3ea1 h ASN 5 N 0.24 0.00 0.74 0.57 -0.26 -2.02 -2.03 115.58 112.83 3ea1 h ASN 5 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3ea1 h ASN 5 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3ea1 h ASN 5 CO -0.00 0.00 0.00 -0.33 -1.06 0.00 0.00 177.43 176.04 3ea1 h GLU 6 N 0.00 0.00 0.00 0.81 5.08 -1.54 -1.50 114.58 117.42 3ea1 h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ea1 h GLU 6 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3ea1 h GLU 6 CO 0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3ea1 n LEU 7 N -2.98 0.49 -0.00 1.33 4.77 -0.76 -2.53 117.00 117.32 3ea1 n LEU 7 Ca -0.00 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.71 3ea1 n LEU 7 Cb 0.24 -0.48 0.61 0.00 -2.33 0.00 0.00 43.42 41.46 3ea1 n LEU 7 CO 0.24 -0.32 0.94 -0.62 -1.33 0.00 0.00 177.39 176.31 3ea1 n GLU 8 N -2.00 0.01 -3.04 3.23 -0.58 -0.56 -4.48 120.64 113.22 3ea1 n GLU 8 Ca 0.04 -0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.34 3ea1 n GLU 8 Cb 0.29 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 3ea1 n GLU 8 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ea1 s ASN 9 N -2.99 6.23 0.37 1.62 3.84 -1.05 -4.90 114.94 118.06 3ea1 s ASN 9 Ca 0.14 -1.40 0.25 0.00 0.21 0.00 0.00 52.86 52.06 3ea1 s ASN 9 Cb 0.19 -2.34 1.32 0.00 -0.55 0.00 0.00 41.25 39.88 3ea1 s ASN 9 CO 0.53 -1.18 1.77 -0.50 -2.79 0.00 0.00 177.10 174.93 3ea1 h TRP 10 N 9.22 0.00 0.00 0.43 6.55 -1.83 -0.57 115.95 129.75 3ea1 h TRP 10 Ca -0.25 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.59 3ea1 h TRP 10 Cb 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 3ea1 h TRP 10 CO 0.90 0.00 -0.78 0.43 -1.05 0.00 0.00 178.44 177.94 3ea1 n SER 11 N -2.39 0.69 -1.97 -3.49 7.64 -1.26 -2.85 113.62 109.99 3ea1 n SER 11 Ca -0.01 0.05 0.01 0.00 1.01 0.00 0.00 58.87 59.93 3ea1 n SER 11 Cb 0.07 0.37 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3ea1 n SER 11 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ea1 n LYS 12 N -2.12 0.66 0.28 1.43 5.02 -0.62 -4.85 118.16 117.96 3ea1 n LYS 12 Ca 0.03 -2.36 0.18 0.00 -2.02 0.00 0.00 58.31 54.14 3ea1 n LYS 12 Cb 0.45 -0.46 0.85 0.00 -0.02 0.00 0.00 35.03 35.85 3ea1 n LYS 12 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3ea1 h TRP 13 N 1.44 0.00 0.00 2.13 5.08 -1.33 -2.40 115.95 120.87 3ea1 h TRP 13 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 3ea1 h TRP 13 Cb 1.61 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.77 3ea1 h TRP 13 CO 0.24 0.00 -0.16 -1.33 -1.28 0.00 0.00 178.44 175.91 3ea1 n MET 14 N -2.96 0.16 -0.14 0.12 2.81 -1.26 -4.10 117.12 111.74 3ea1 n MET 14 Ca -0.01 0.11 -0.03 0.00 -1.81 0.00 0.00 57.70 55.96 3ea1 n MET 14 Cb 0.20 -1.66 0.05 0.00 -0.71 0.00 0.00 33.22 31.10 3ea1 n MET 14 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3ea1 h GLN 15 N 0.00 0.20 0.00 0.03 4.15 -1.63 -2.34 115.11 115.52 3ea1 h GLN 15 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3ea1 h GLN 15 Cb 0.64 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3ea1 h GLN 15 CO 0.00 0.13 0.00 -0.35 -1.93 0.00 0.00 178.83 176.68 3ea1 n PRO 16 N -5.12 0.03 -2.79 -2.39 -0.04 -1.26 -4.77 135.00 118.66 3ea1 n PRO 16 Ca 0.04 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 3ea1 n PRO 16 Cb 0.22 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 3ea1 n PRO 16 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ea1 s ILE 17 N -2.96 4.90 0.46 0.52 1.01 -0.88 -4.60 121.20 119.64 3ea1 s ILE 17 Ca 0.10 1.91 -0.23 0.00 0.00 0.00 0.00 60.65 62.43 3ea1 s ILE 17 Cb 0.13 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 3ea1 s ILE 17 CO 0.36 0.15 0.99 -2.65 0.00 0.00 0.00 174.94 173.78 3ea1 n PRO 18 N 4.09 1.25 0.20 2.79 -0.02 -1.26 -4.88 135.00 137.16 3ea1 n PRO 18 Ca 0.05 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.05 3ea1 n PRO 18 Cb 0.51 -2.06 0.55 0.00 -0.02 0.00 0.00 33.50 32.48 3ea1 n PRO 18 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ea1 h ASP 19 N 1.32 0.10 0.90 2.55 3.32 -1.94 -2.75 116.42 119.92 3ea1 h ASP 19 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ea1 h ASP 19 Cb 1.34 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3ea1 h ASP 19 CO 0.55 0.13 0.00 -0.46 -1.72 0.00 0.00 179.24 177.74 3ea1 n ASN 20 N -4.46 0.62 -4.70 6.45 6.94 -1.26 -0.98 115.26 117.87 3ea1 n ASN 20 Ca -0.02 0.62 -0.42 0.00 -0.02 0.00 0.00 54.58 54.74 3ea1 n ASN 20 Cb 0.13 -0.76 -0.03 0.00 -2.36 0.00 0.00 39.78 36.76 3ea1 n ASN 20 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ea1 s ILE 21 N -3.22 3.71 0.30 1.53 -1.09 -1.04 -4.81 121.20 116.58 3ea1 s ILE 21 Ca 0.06 1.16 -0.29 0.00 -2.23 0.00 0.00 60.65 59.35 3ea1 s ILE 21 Cb 0.10 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 37.14 3ea1 s ILE 21 CO 0.43 0.04 1.30 -2.84 -1.23 0.00 0.00 174.94 172.64 3ea1 s PRO 22 N 1.83 4.38 0.37 2.79 0.02 -1.26 -1.19 135.00 141.93 3ea1 s PRO 22 Ca 0.62 2.16 0.12 0.00 0.02 0.00 0.00 61.00 63.93 3ea1 s PRO 22 Cb -0.32 -3.10 0.92 0.00 0.02 0.00 0.00 34.50 32.02 3ea1 s PRO 22 CO 0.28 -0.18 1.84 -0.07 -0.33 0.00 0.00 177.00 178.53 3ea1 h LEU 23 N 3.82 0.58 -1.93 -5.54 3.38 -1.26 0.18 115.31 114.53 3ea1 h LEU 23 Ca -0.48 0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3ea1 h LEU 23 Cb 1.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3ea1 h LEU 23 CO 0.68 0.24 0.22 0.00 0.09 0.00 0.00 178.44 179.67 3ea1 h ALA 24 N 1.61 2.19 0.04 1.53 0.00 -1.85 -2.07 119.26 120.72 3ea1 h ALA 24 Ca 0.50 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.17 3ea1 h ALA 24 Cb 0.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ea1 h ALA 24 CO -0.24 -0.27 -1.03 -0.09 0.00 0.00 0.00 179.25 177.62 3ea1 h ARG 25 N 0.08 0.16 -7.00 0.00 9.65 -1.14 -3.41 114.38 112.73 3ea1 h ARG 25 Ca 0.15 -0.24 -0.53 0.00 -1.10 0.00 0.00 59.98 58.26 3ea1 h ARG 25 Cb 0.48 0.08 0.10 0.00 -1.39 0.00 0.00 29.97 29.24 3ea1 h ARG 25 CO -0.01 1.05 0.59 0.42 2.80 0.00 0.00 179.97 184.82 3ea1 s ILE 26 N -2.89 2.50 -0.27 1.20 1.01 -0.78 -4.87 121.20 117.11 3ea1 s ILE 26 Ca -0.02 0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 3ea1 s ILE 26 Cb 0.09 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3ea1 s ILE 26 CO 0.84 0.03 0.63 -0.44 0.00 0.00 0.00 174.94 176.00 3ea1 s SER 27 N -0.93 6.55 -0.05 3.58 0.01 -1.26 -4.57 113.70 117.03 3ea1 s SER 27 Ca 0.63 0.61 0.03 0.00 1.31 0.00 0.00 55.95 58.54 3ea1 s SER 27 Cb -0.37 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.53 3ea1 s SER 27 CO 0.46 -0.42 -0.13 -0.63 0.41 0.00 0.00 173.24 172.94 3ea1 s ILE 28 N 2.56 1.15 0.30 1.44 1.01 -0.76 -4.59 121.20 122.30 3ea1 s ILE 28 Ca 0.26 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.15 3ea1 s ILE 28 Cb -0.15 -1.03 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 3ea1 s ILE 28 CO 0.10 0.35 0.89 -2.84 0.00 0.00 0.00 174.94 173.44 3ea1 s PRO 29 N 0.42 4.49 0.09 2.79 0.02 -1.26 -1.45 135.00 140.10 3ea1 s PRO 29 Ca -0.10 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.13 3ea1 s PRO 29 Cb -0.13 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3ea1 s PRO 29 CO 0.03 0.29 0.01 0.20 -0.33 0.00 0.00 177.00 177.20 3ea1 s GLY 30 N -1.65 0.74 -0.11 0.52 0.00 -0.15 -1.39 107.32 105.28 3ea1 s GLY 30 Ca 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3ea1 s GLY 30 CO 0.23 -1.35 -0.12 -0.51 0.00 0.00 0.00 173.10 171.34 3ea1 s THR 31 N -3.96 3.13 0.10 0.90 -4.23 -0.62 -0.83 115.64 110.13 3ea1 s THR 31 Ca 0.15 -0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 59.75 3ea1 s THR 31 Cb 0.08 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.55 3ea1 s THR 31 CO -0.04 0.54 0.82 -2.28 -0.54 0.00 0.00 174.62 173.12 3ea1 s HIS 32 N 0.07 3.81 -1.39 3.99 2.46 -0.08 -2.36 115.29 121.79 3ea1 s HIS 32 Ca -0.05 1.61 -0.11 0.00 0.47 0.00 0.00 55.06 56.98 3ea1 s HIS 32 Cb -0.14 -2.87 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 3ea1 s HIS 32 CO 0.04 0.33 0.34 -3.47 -2.47 0.00 0.00 174.74 169.51 3ea1 n ASP 33 N 2.43 -1.23 -0.42 9.88 -0.08 -1.24 -4.73 116.55 121.17 3ea1 n ASP 33 Ca -0.02 -1.20 0.34 0.00 -1.51 0.00 0.00 54.79 52.40 3ea1 n ASP 33 Cb 0.49 -2.08 0.64 0.00 2.34 0.00 0.00 41.12 42.51 3ea1 n ASP 33 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3ea1 h SER 34 N -2.04 0.25 -0.33 1.67 0.02 -1.59 -2.77 113.55 108.76 3ea1 h SER 34 Ca -0.67 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3ea1 h SER 34 Cb 1.39 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.00 3ea1 h SER 34 CO 0.62 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 3ea1 n GLY 35 N -1.57 1.76 0.33 -3.77 0.00 -1.26 -4.31 105.19 96.36 3ea1 n GLY 35 Ca 0.33 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3ea1 n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ea1 n THR 36 N 0.42 0.18 0.39 2.61 -2.24 -1.05 -4.36 114.28 110.23 3ea1 n THR 36 Ca 0.14 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3ea1 n THR 36 Cb 0.60 0.10 0.24 0.00 -2.10 0.00 0.00 70.33 69.16 3ea1 n THR 36 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3ea1 n PHE 37 N -0.07 0.00 1.08 4.78 -1.74 -1.22 -2.86 117.46 117.42 3ea1 n PHE 37 Ca 0.11 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.13 3ea1 n PHE 37 Cb 0.19 -0.49 0.22 0.00 1.52 0.00 0.00 39.48 40.92 3ea1 n PHE 37 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3ea1 n LYS 38 N -1.49 2.17 -2.20 3.97 5.02 -1.26 -4.75 118.16 119.62 3ea1 n LYS 38 Ca 0.03 -1.70 -0.42 0.00 -2.02 0.00 0.00 58.31 54.20 3ea1 n LYS 38 Cb 0.13 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3ea1 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ea1 s LEU 39 N -1.95 4.40 0.00 -0.35 1.43 -1.14 -4.89 118.68 116.19 3ea1 s LEU 39 Ca 0.31 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 3ea1 s LEU 39 Cb 0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3ea1 s LEU 39 CO 0.31 -0.57 0.00 0.00 0.23 0.00 0.00 176.35 176.32 3ea1 n GLN 40 N 2.99 2.94 -1.92 1.70 6.02 -1.26 -4.89 117.38 122.97 3ea1 n GLN 40 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 3ea1 n GLN 40 Cb 0.43 -0.87 -0.03 0.00 1.02 0.00 0.00 30.24 30.78 3ea1 n GLN 40 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3ea1 s ASN 41 N -2.46 6.33 0.29 1.08 3.04 -1.26 -4.86 114.94 117.10 3ea1 s ASN 41 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 52.86 54.95 3ea1 s ASN 41 Cb 0.00 -2.53 0.68 0.00 -1.54 0.00 0.00 41.25 37.86 3ea1 s ASN 41 CO 0.00 -1.24 1.61 -0.65 -3.04 0.00 0.00 177.10 173.78 3ea1 h PRO 42 N 11.06 0.09 -0.37 0.43 0.11 -1.98 0.34 132.00 141.67 3ea1 h PRO 42 Ca -0.40 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 3ea1 h PRO 42 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3ea1 h PRO 42 CO 0.97 0.06 0.14 0.97 -0.21 0.00 0.00 178.00 179.93 3ea1 h ILE 43 N 0.09 1.15 0.02 4.15 2.10 -2.00 -1.52 117.51 121.50 3ea1 h ILE 43 Ca 0.55 -0.47 -0.15 0.00 1.08 0.00 0.00 64.86 65.87 3ea1 h ILE 43 Cb 1.10 0.71 0.01 0.00 -1.09 0.00 0.00 36.82 37.56 3ea1 h ILE 43 CO -0.77 0.18 -0.61 0.11 -1.08 0.00 0.00 178.15 175.97 3ea1 h LYS 44 N 0.52 0.38 -0.05 2.19 1.57 -0.84 -3.26 116.57 117.08 3ea1 h LYS 44 Ca 0.13 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3ea1 h LYS 44 Cb 0.12 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3ea1 h LYS 44 CO -0.01 1.11 -0.07 1.96 -0.57 0.00 0.00 179.45 181.87 3ea1 h GLN 45 N -0.17 -0.10 -0.05 3.15 4.20 -0.52 0.33 115.11 121.95 3ea1 h GLN 45 Ca -0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3ea1 h GLN 45 Cb 1.35 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 3ea1 h GLN 45 CO 0.12 -0.07 0.03 -0.39 -0.67 0.00 0.00 178.83 177.85 3ea1 h VAL 46 N -0.11 1.00 0.11 -0.54 -1.51 -1.42 -0.69 116.25 113.08 3ea1 h VAL 46 Ca 0.05 -0.01 -0.37 0.00 -1.23 0.00 0.00 66.70 65.13 3ea1 h VAL 46 Cb 0.17 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 3ea1 h VAL 46 CO -0.11 0.01 -2.07 0.79 -1.23 0.00 0.00 177.57 174.96 3ea1 n TRP 47 N -4.53 1.07 -0.16 5.19 7.02 -0.99 -4.32 117.44 120.71 3ea1 n TRP 47 Ca -0.02 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.69 3ea1 n TRP 47 Cb 0.11 -1.14 0.00 0.00 -2.42 0.00 0.00 31.31 27.86 3ea1 n TRP 47 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ea1 n GLY 48 N 2.03 -0.09 3.72 6.99 0.00 0.11 -4.54 105.19 113.41 3ea1 n GLY 48 Ca -0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3ea1 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ea1 s MET 49 N -0.29 4.55 0.00 1.61 0.00 -0.27 -4.90 119.30 120.00 3ea1 s MET 49 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 55.69 57.23 3ea1 s MET 49 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 34.83 31.43 3ea1 s MET 49 CO 0.00 -0.05 0.12 0.25 0.00 0.00 0.00 175.02 175.34 3ea1 n THR 50 N 3.59 0.00 -3.81 10.11 -2.24 -1.26 -4.61 114.28 116.06 3ea1 n THR 50 Ca 0.06 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3ea1 n THR 50 Cb 0.49 1.17 -0.12 0.00 -2.10 0.00 0.00 70.33 69.77 3ea1 n THR 50 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ea1 s GLN 51 N -0.34 0.23 0.05 -0.78 -1.52 -1.26 0.55 119.66 116.58 3ea1 s GLN 51 Ca 0.00 0.23 0.21 0.00 -1.95 0.00 0.00 55.36 53.85 3ea1 s GLN 51 Cb 0.00 0.11 -0.19 0.00 -0.22 0.00 0.00 33.01 32.72 3ea1 s GLN 51 CO 0.00 -0.03 0.69 0.39 -0.25 0.00 0.00 175.29 176.09 3ea1 n GLU 52 N 2.90 0.64 -4.42 2.91 1.02 -1.26 -3.45 120.64 118.98 3ea1 n GLU 52 Ca -0.13 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.75 3ea1 n GLU 52 Cb 0.59 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3ea1 n GLU 52 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ea1 s TYR 53 N -3.28 2.38 1.20 -0.32 2.02 -1.26 -4.92 117.35 113.18 3ea1 s TYR 53 Ca -0.05 -0.31 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 3ea1 s TYR 53 Cb 0.11 -1.08 0.29 0.00 -0.40 0.00 0.00 41.96 40.87 3ea1 s TYR 53 CO 0.85 0.64 1.12 0.16 -1.57 0.00 0.00 175.55 176.74 3ea1 s ASP 54 N -3.28 0.94 0.21 2.29 1.47 -1.26 -4.72 116.67 112.32 3ea1 s ASP 54 Ca 0.28 0.59 -0.10 0.00 1.18 0.00 0.00 52.55 54.50 3ea1 s ASP 54 Cb -0.06 -0.80 0.21 0.00 -0.34 0.00 0.00 42.92 41.92 3ea1 s ASP 54 CO 0.15 -4.11 1.84 -0.26 0.68 0.00 0.00 175.17 173.46 3ea1 h PHE 55 N -2.57 0.78 -0.70 2.11 0.04 -2.00 -1.89 116.94 112.72 3ea1 h PHE 55 Ca -0.44 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.28 3ea1 h PHE 55 Cb 1.29 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 3ea1 h PHE 55 CO -2.20 0.42 0.18 -0.09 -0.60 0.00 0.00 178.31 176.03 3ea1 h ARG 56 N 0.81 1.11 -0.43 1.51 9.65 -1.93 -0.46 114.38 124.63 3ea1 h ARG 56 Ca 0.29 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3ea1 h ARG 56 Cb 0.08 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3ea1 h ARG 56 CO -0.13 0.97 0.25 -0.92 2.80 0.00 0.00 179.97 182.94 3ea1 h TYR 57 N 1.05 0.58 -0.44 2.20 5.03 -1.85 0.20 116.97 123.74 3ea1 h TYR 57 Ca 0.22 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.55 3ea1 h TYR 57 Cb 0.35 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 3ea1 h TYR 57 CO 0.03 0.42 0.25 1.96 -1.32 0.00 0.00 178.16 179.49 3ea1 h GLN 58 N 0.57 0.48 -0.52 1.82 4.20 -0.91 -1.71 115.11 119.04 3ea1 h GLN 58 Ca 0.15 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3ea1 h GLN 58 Cb 0.02 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3ea1 h GLN 58 CO -0.03 0.32 0.12 0.52 -0.67 0.00 0.00 178.83 179.09 3ea1 h MET 59 N 0.49 0.83 0.00 1.46 2.86 -0.70 -1.82 114.93 118.06 3ea1 h MET 59 Ca 0.18 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3ea1 h MET 59 Cb 0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3ea1 h MET 59 CO -0.09 0.80 0.00 -0.25 1.06 0.00 0.00 176.91 178.42 3ea1 n ASP 60 N -4.43 0.00 -1.26 1.22 8.00 0.67 -1.79 116.55 118.96 3ea1 n ASP 60 Ca 0.02 0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.55 3ea1 n ASP 60 Cb 0.23 -0.28 0.24 0.00 -0.02 0.00 0.00 41.12 41.29 3ea1 n ASP 60 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ea1 n HIS 61 N -1.28 1.38 -0.02 1.24 8.25 -0.67 -4.27 115.22 119.85 3ea1 n HIS 61 Ca 0.08 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 3ea1 n HIS 61 Cb 0.13 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3ea1 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ea1 n GLY 62 N -0.69 1.86 3.73 -1.41 0.00 -0.74 -4.85 105.19 103.09 3ea1 n GLY 62 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3ea1 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea1 s ALA 63 N -2.65 3.60 0.00 4.61 0.00 -0.80 -4.42 121.76 122.09 3ea1 s ALA 63 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3ea1 s ALA 63 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3ea1 s ALA 63 CO 0.00 -0.63 0.00 0.54 0.00 0.00 0.00 175.76 175.67 3ea1 n ARG 64 N 3.36 4.73 -4.67 0.00 5.12 -0.48 -4.29 116.66 120.43 3ea1 n ARG 64 Ca 0.10 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.68 3ea1 n ARG 64 Cb 0.42 -0.45 -0.13 0.00 -1.16 0.00 0.00 32.46 31.13 3ea1 n ARG 64 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ea1 s ILE 65 N -0.87 3.32 -0.10 0.55 1.01 -1.11 -0.10 121.20 123.91 3ea1 s ILE 65 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3ea1 s ILE 65 Cb 0.00 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3ea1 s ILE 65 CO 0.00 0.52 -0.18 -0.36 0.00 0.00 0.00 174.94 174.92 3ea1 s PHE 66 N 0.25 2.15 -0.95 3.97 0.40 0.17 -1.58 117.98 122.39 3ea1 s PHE 66 Ca -0.07 -0.95 -0.18 0.00 -0.60 0.00 0.00 56.93 55.13 3ea1 s PHE 66 Cb -0.15 -1.50 0.15 0.00 0.51 0.00 0.00 43.02 42.03 3ea1 s PHE 66 CO 0.05 -0.44 1.12 0.34 0.70 0.00 0.00 175.22 176.98 3ea1 s ASP 67 N 0.71 6.70 -0.23 1.36 2.15 -0.99 -0.67 116.67 125.71 3ea1 s ASP 67 Ca -0.12 -2.24 -0.17 0.00 0.43 0.00 0.00 52.55 50.45 3ea1 s ASP 67 Cb -0.16 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 40.05 3ea1 s ASP 67 CO 0.02 -0.96 0.46 -0.63 -0.17 0.00 0.00 175.17 173.89 3ea1 s ILE 68 N 2.22 5.13 -0.26 4.11 -1.09 -0.24 -2.46 121.20 128.62 3ea1 s ILE 68 Ca 0.32 0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 59.51 3ea1 s ILE 68 Cb -0.05 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3ea1 s ILE 68 CO -0.08 0.17 -0.01 -0.13 -1.23 0.00 0.00 174.94 173.65 3ea1 s ARG 69 N 1.76 3.00 0.43 2.79 1.81 -1.26 -1.67 118.95 125.81 3ea1 s ARG 69 Ca 0.21 -0.89 0.05 0.00 -1.72 0.00 0.00 55.73 53.37 3ea1 s ARG 69 Cb -0.15 -3.11 -0.05 0.00 -0.45 0.00 0.00 34.95 31.18 3ea1 s ARG 69 CO 0.09 -0.38 0.02 0.20 -0.68 0.00 0.00 175.30 174.55 3ea1 s GLY 70 N 1.40 2.61 0.00 -3.53 0.00 -0.28 -1.29 107.32 106.23 3ea1 s GLY 70 Ca 0.02 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.10 3ea1 s GLY 70 CO -0.02 -2.07 -0.03 -1.60 0.00 0.00 0.00 173.10 169.38 3ea1 s ARG 71 N -3.78 0.21 -0.05 2.90 3.52 0.72 0.12 118.95 122.58 3ea1 s ARG 71 Ca 0.26 -0.14 -0.27 0.00 -0.13 0.00 0.00 55.73 55.45 3ea1 s ARG 71 Cb 0.07 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 3ea1 s ARG 71 CO 0.13 0.04 0.87 -1.17 -0.81 0.00 0.00 175.30 174.37 3ea1 s LEU 72 N -0.20 4.32 0.54 -0.88 0.20 -1.26 -1.67 118.68 119.73 3ea1 s LEU 72 Ca -0.01 1.44 0.07 0.00 0.69 0.00 0.00 54.13 56.33 3ea1 s LEU 72 Cb -0.02 -3.37 0.06 0.00 -0.43 0.00 0.00 46.19 42.43 3ea1 s LEU 72 CO -0.00 -0.24 0.74 0.42 -0.29 0.00 0.00 176.35 176.98 3ea1 s THR 73 N 1.13 2.50 -0.44 3.68 -4.23 -0.02 -0.99 115.64 117.27 3ea1 s THR 73 Ca 0.45 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 3ea1 s THR 73 Cb -0.19 -2.58 0.47 0.00 1.34 0.00 0.00 72.50 71.54 3ea1 s THR 73 CO 0.22 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.78 3ea1 n ASP 74 N -2.19 3.76 -0.07 3.99 5.68 -1.26 -3.73 116.55 122.73 3ea1 n ASP 74 Ca 0.12 -2.73 0.06 0.00 -0.50 0.00 0.00 54.79 51.75 3ea1 n ASP 74 Cb 0.60 -0.65 0.09 0.00 -1.14 0.00 0.00 41.12 40.03 3ea1 n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ea1 n ASP 75 N 0.05 2.26 -1.96 -1.12 2.03 -1.26 -4.87 116.55 111.68 3ea1 n ASP 75 Ca 0.24 -2.69 -0.17 0.00 0.52 0.00 0.00 54.79 52.70 3ea1 n ASP 75 Cb 0.98 -0.28 -0.00 0.00 -0.72 0.00 0.00 41.12 41.10 3ea1 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ea1 n ASN 76 N -1.07 -4.90 -4.20 1.67 3.02 -1.24 -4.99 115.26 103.54 3ea1 n ASN 76 Ca 0.10 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.48 3ea1 n ASN 76 Cb 0.50 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.60 3ea1 n ASN 76 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ea1 s THR 77 N -2.86 0.23 -0.14 3.41 -4.23 -1.26 -5.01 115.64 105.79 3ea1 s THR 77 Ca 0.04 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3ea1 s THR 77 Cb -0.02 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.57 3ea1 s THR 77 CO 0.05 -0.28 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.02 3ea1 s ILE 78 N -3.97 2.25 0.25 2.99 1.01 -1.26 -0.84 121.20 121.62 3ea1 s ILE 78 Ca 0.30 -0.92 0.12 0.00 0.00 0.00 0.00 60.65 60.14 3ea1 s ILE 78 Cb 0.07 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3ea1 s ILE 78 CO 0.06 0.54 -0.20 0.68 0.00 0.00 0.00 174.94 176.03 3ea1 s VAL 79 N 0.70 2.51 0.19 2.92 -7.23 -0.67 -1.96 120.40 116.87 3ea1 s VAL 79 Ca -0.09 -2.26 -0.27 0.00 -1.81 0.00 0.00 61.98 57.56 3ea1 s VAL 79 Cb -0.16 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 3ea1 s VAL 79 CO 0.01 -0.31 0.83 -0.76 -0.31 0.00 0.00 175.10 174.56 3ea1 s LEU 80 N -3.26 4.61 0.09 1.32 1.43 -0.02 -0.20 118.68 122.65 3ea1 s LEU 80 Ca 0.27 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.11 3ea1 s LEU 80 Cb -0.06 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3ea1 s LEU 80 CO 0.14 0.19 -0.00 -1.00 0.23 0.00 0.00 176.35 175.91 3ea1 s HIS 81 N -1.16 0.74 -0.34 0.29 3.76 -0.41 -1.68 115.29 116.48 3ea1 s HIS 81 Ca 0.38 -1.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.17 3ea1 s HIS 81 Cb -0.24 -0.46 0.11 0.00 1.11 0.00 0.00 32.58 33.10 3ea1 s HIS 81 CO 0.28 -0.39 0.15 -1.58 -0.85 0.00 0.00 174.74 172.35 3ea1 s HIS 82 N -3.91 1.44 0.00 1.40 2.46 -0.65 -4.65 115.29 111.38 3ea1 s HIS 82 Ca 0.15 -1.75 0.00 0.00 0.47 0.00 0.00 55.06 53.93 3ea1 s HIS 82 Cb 0.07 -1.53 0.00 0.00 -0.13 0.00 0.00 32.58 31.00 3ea1 s HIS 82 CO -0.04 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.79 3ea1 n GLY 83 N 4.51 2.66 0.25 1.59 0.00 -1.26 -1.75 105.19 111.19 3ea1 n GLY 83 Ca 0.02 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 45.88 3ea1 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ea1 n PRO 84 N 13.47 1.23 -3.04 1.61 -0.04 -1.26 -4.54 135.00 142.43 3ea1 n PRO 84 Ca 0.00 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.55 3ea1 n PRO 84 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3ea1 n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ea1 s LEU 85 N -2.12 4.13 0.08 1.53 2.01 -0.71 -5.03 118.68 118.56 3ea1 s LEU 85 Ca 0.39 0.91 -0.30 0.00 0.01 0.00 0.00 54.13 55.13 3ea1 s LEU 85 Cb 0.21 -2.99 -0.06 0.00 0.01 0.00 0.00 46.19 43.36 3ea1 s LEU 85 CO 0.38 -0.34 1.16 -0.47 1.01 0.00 0.00 176.35 178.08 3ea1 s TYR 86 N 2.17 3.49 -2.35 0.29 5.04 -1.26 -1.63 117.35 123.10 3ea1 s TYR 86 Ca 0.31 1.40 0.23 0.00 -2.44 0.00 0.00 57.07 56.57 3ea1 s TYR 86 Cb -0.16 -3.36 0.84 0.00 0.35 0.00 0.00 41.96 39.63 3ea1 s TYR 86 CO 0.10 -1.01 1.61 1.28 -1.34 0.00 0.00 175.55 176.18 3ea1 n LEU 87 N 3.59 1.65 -1.12 6.97 4.77 -0.68 -4.92 117.00 127.27 3ea1 n LEU 87 Ca 0.07 -0.65 -0.13 0.00 -0.03 0.00 0.00 56.01 55.27 3ea1 n LEU 87 Cb 0.47 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3ea1 n LEU 87 CO 0.55 0.32 -0.13 -1.22 -1.33 0.00 0.00 177.39 175.58 3ea1 n TYR 88 N 0.30 -0.15 -4.19 -1.77 4.02 -1.26 -4.52 117.16 109.58 3ea1 n TYR 88 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.90 3ea1 n TYR 88 Cb 0.34 -2.48 -0.14 0.00 -0.02 0.00 0.00 39.34 37.04 3ea1 n TYR 88 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3ea1 s VAL 89 N -2.52 0.50 0.32 -0.72 1.01 -1.26 -5.04 120.40 112.68 3ea1 s VAL 89 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3ea1 s VAL 89 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3ea1 s VAL 89 CO 0.00 0.08 0.14 0.42 0.00 0.00 0.00 175.10 175.74 3ea1 s THR 90 N -0.27 3.23 0.21 3.92 -4.23 -1.26 -0.84 115.64 116.40 3ea1 s THR 90 Ca 0.01 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 3ea1 s THR 90 Cb -0.03 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.89 3ea1 s THR 90 CO -0.00 -0.22 1.69 0.25 -0.54 0.00 0.00 174.62 175.80 3ea1 h LEU 91 N 1.57 0.93 -1.04 4.79 5.85 -1.72 -2.42 115.31 123.27 3ea1 h LEU 91 Ca -0.44 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.08 3ea1 h LEU 91 Cb 1.25 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3ea1 h LEU 91 CO 0.62 0.99 0.64 -0.74 -0.34 0.00 0.00 178.44 179.61 3ea1 h HIS 92 N 0.88 1.19 -0.52 1.25 2.76 -1.96 -1.43 115.15 117.32 3ea1 h HIS 92 Ca 0.16 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3ea1 h HIS 92 Cb 0.52 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 3ea1 h HIS 92 CO 0.03 0.65 0.17 0.93 -1.30 0.00 0.00 177.93 178.42 3ea1 h GLU 93 N 1.20 0.80 -0.06 5.26 5.08 -1.84 -0.98 114.58 124.03 3ea1 h GLU 93 Ca 0.40 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3ea1 h GLU 93 Cb 0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ea1 h GLU 93 CO -0.14 0.73 0.03 0.35 -1.00 0.00 0.00 179.01 178.98 3ea1 h PHE 94 N 0.71 0.09 -0.94 4.33 3.57 -1.05 -2.04 116.94 121.60 3ea1 h PHE 94 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3ea1 h PHE 94 Cb 0.26 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3ea1 h PHE 94 CO 0.01 0.16 0.62 0.82 -2.23 0.00 0.00 178.31 177.70 3ea1 h ILE 95 N -0.02 1.16 -0.55 1.41 2.04 -1.11 0.28 117.51 120.72 3ea1 h ILE 95 Ca 0.02 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 3ea1 h ILE 95 Cb 0.11 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 3ea1 h ILE 95 CO -0.00 0.22 -0.02 0.78 0.00 0.00 0.00 178.15 179.12 3ea1 h ASN 96 N 1.18 0.94 -0.35 1.72 2.35 -1.01 0.82 115.58 121.23 3ea1 h ASN 96 Ca 0.38 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 3ea1 h ASN 96 Cb 0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3ea1 h ASN 96 CO -0.12 1.01 -0.26 -0.33 -1.65 0.00 0.00 177.43 176.08 3ea1 h GLU 97 N 0.88 0.86 -0.65 0.81 4.39 -0.65 -1.30 114.58 118.92 3ea1 h GLU 97 Ca 0.16 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 3ea1 h GLU 97 Cb 0.54 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3ea1 h GLU 97 CO 0.03 1.02 0.14 0.00 -1.16 0.00 0.00 179.01 179.04 3ea1 h ALA 98 N 0.97 0.85 -0.36 3.43 0.00 -0.66 -1.82 119.26 121.67 3ea1 h ALA 98 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ea1 h ALA 98 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ea1 h ALA 98 CO 0.07 0.58 0.23 0.87 0.00 0.00 0.00 179.25 181.01 3ea1 h LYS 99 N 0.97 0.46 -0.54 0.00 1.57 -0.48 -1.25 116.57 117.30 3ea1 h LYS 99 Ca 0.20 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3ea1 h LYS 99 Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3ea1 h LYS 99 CO 0.01 0.31 0.14 1.96 -0.57 0.00 0.00 179.45 181.30 3ea1 h GLN 100 N 0.48 0.85 -0.82 3.15 1.08 -1.09 -0.30 115.11 118.45 3ea1 h GLN 100 Ca 0.13 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3ea1 h GLN 100 Cb -0.05 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 3ea1 h GLN 100 CO -0.03 0.79 0.41 0.35 -0.95 0.00 0.00 178.83 179.40 3ea1 h PHE 101 N 0.75 1.16 0.00 2.96 3.57 -1.15 -0.94 116.94 123.30 3ea1 h PHE 101 Ca 0.17 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3ea1 h PHE 101 Cb 0.32 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3ea1 h PHE 101 CO 0.02 0.83 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.43 3ea1 h LEU 102 N 1.16 0.00 -0.19 0.59 3.38 -1.00 0.14 115.31 119.38 3ea1 h LEU 102 Ca 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3ea1 h LEU 102 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ea1 h LEU 102 CO -0.04 0.44 -0.40 0.50 0.09 0.00 0.00 178.44 179.03 3ea1 h LYS 103 N 0.00 0.61 0.00 1.13 3.11 -0.39 -2.38 116.57 118.65 3ea1 h LYS 103 Ca -0.00 -0.40 -0.16 0.00 -2.81 0.00 0.00 60.65 57.28 3ea1 h LYS 103 Cb 0.89 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 3ea1 h LYS 103 CO 0.06 1.01 -0.74 -0.44 -2.81 0.00 0.00 179.45 176.53 3ea1 h ASP 104 N 0.29 0.00 -2.26 4.20 3.32 -1.01 -3.37 116.42 117.59 3ea1 h ASP 104 Ca 0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3ea1 h ASP 104 Cb 1.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.15 3ea1 h ASP 104 CO 0.09 0.74 -0.86 0.59 -1.72 0.00 0.00 179.24 178.08 3ea1 n ASN 105 N -3.52 1.50 0.00 6.45 3.02 0.48 -4.97 115.26 118.21 3ea1 n ASN 105 Ca -0.00 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 3ea1 n ASN 105 Cb 0.75 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3ea1 n ASN 105 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ea1 n PRO 106 N 1.55 0.00 0.13 3.52 -0.04 -0.90 -1.98 135.00 137.28 3ea1 n PRO 106 Ca 0.25 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 3ea1 n PRO 106 Cb 0.46 -1.51 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 3ea1 n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ea1 h SER 107 N 0.00 0.00 -2.25 3.54 4.64 -1.93 -3.24 113.55 114.31 3ea1 h SER 107 Ca 0.00 -0.03 -0.44 0.00 -0.47 0.00 0.00 61.79 60.85 3ea1 h SER 107 Cb 0.01 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3ea1 h SER 107 CO 0.00 0.01 -0.04 -1.61 -0.87 0.00 0.00 176.83 174.32 3ea1 s GLU 108 N -3.15 2.44 0.04 4.77 0.41 -0.84 -4.38 118.70 117.98 3ea1 s GLU 108 Ca 0.08 -0.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.72 3ea1 s GLU 108 Cb 0.10 -2.50 -0.03 0.00 -1.78 0.00 0.00 34.13 29.92 3ea1 s GLU 108 CO 0.64 -0.78 -0.04 -0.08 -0.49 0.00 0.00 175.26 174.52 3ea1 s THR 109 N -2.76 0.25 -0.16 3.63 -1.32 -1.26 -0.06 115.64 113.96 3ea1 s THR 109 Ca 0.59 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 3ea1 s THR 109 Cb -0.09 -0.75 0.01 0.00 -1.51 0.00 0.00 72.50 70.16 3ea1 s THR 109 CO 0.39 -0.64 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.33 3ea1 s ILE 110 N -2.24 2.18 -0.28 5.08 -1.09 -0.99 -4.84 121.20 119.02 3ea1 s ILE 110 Ca -0.07 -0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 3ea1 s ILE 110 Cb -0.04 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 3ea1 s ILE 110 CO -0.03 0.54 0.26 -0.63 -1.23 0.00 0.00 174.94 173.84 3ea1 s ILE 111 N 1.02 5.26 -0.27 2.92 1.01 0.86 0.64 121.20 132.64 3ea1 s ILE 111 Ca -0.02 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 3ea1 s ILE 111 Cb -0.14 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3ea1 s ILE 111 CO -0.06 0.21 -0.02 -0.32 0.00 0.00 0.00 174.94 174.75 3ea1 s MET 112 N 1.87 2.76 -0.04 2.79 1.75 0.82 -0.65 119.30 128.59 3ea1 s MET 112 Ca 0.10 -1.04 -0.23 0.00 -1.25 0.00 0.00 55.69 53.26 3ea1 s MET 112 Cb -0.16 -3.11 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 3ea1 s MET 112 CO 0.11 -0.47 0.70 0.45 -0.65 0.00 0.00 175.02 175.15 3ea1 s SER 113 N 1.34 7.03 -0.12 1.11 0.15 0.16 -0.66 113.70 122.70 3ea1 s SER 113 Ca -0.01 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.88 3ea1 s SER 113 Cb -0.18 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.74 3ea1 s SER 113 CO -0.02 -0.06 -0.14 -0.22 1.20 0.00 0.00 173.24 173.99 3ea1 s LEU 114 N 0.52 1.64 0.02 3.45 2.96 -0.90 -1.08 118.68 125.29 3ea1 s LEU 114 Ca 0.37 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3ea1 s LEU 114 Cb -0.18 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3ea1 s LEU 114 CO 0.19 -0.02 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.33 3ea1 s LYS 115 N 1.23 0.85 -0.24 1.98 2.20 -0.67 -1.18 119.74 123.90 3ea1 s LYS 115 Ca -0.02 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 3ea1 s LYS 115 Cb -0.14 -0.81 -0.00 0.00 -1.51 0.00 0.00 37.83 35.37 3ea1 s LYS 115 CO -0.05 0.21 1.21 0.21 -0.36 0.00 0.00 175.35 176.56 3ea1 s LYS 116 N -0.79 4.12 -0.12 4.03 2.20 -1.26 -1.12 119.74 126.79 3ea1 s LYS 116 Ca 0.01 1.41 0.16 0.00 -0.36 0.00 0.00 55.97 57.20 3ea1 s LYS 116 Cb -0.06 -3.77 -0.24 0.00 -1.51 0.00 0.00 37.83 32.25 3ea1 s LYS 116 CO 0.00 -0.84 0.33 -1.91 -0.36 0.00 0.00 175.35 172.58 3ea1 n GLU 117 N 6.79 0.66 -3.88 4.03 4.07 0.12 -4.88 120.64 127.56 3ea1 n GLU 117 Ca 0.14 0.10 -0.10 0.00 -0.06 0.00 0.00 57.16 57.23 3ea1 n GLU 117 Cb 0.46 -1.63 -0.09 0.00 -0.06 0.00 0.00 31.44 30.12 3ea1 n GLU 117 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 3ea1 s TYR 118 N -2.60 0.09 0.46 4.31 5.04 -1.24 -4.40 117.35 119.01 3ea1 s TYR 118 Ca -0.08 -0.28 -0.24 0.00 -2.44 0.00 0.00 57.07 54.03 3ea1 s TYR 118 Cb 0.07 -0.07 -0.09 0.00 0.35 0.00 0.00 41.96 42.22 3ea1 s TYR 118 CO 0.83 -0.35 1.13 -0.85 -1.34 0.00 0.00 175.55 174.97 3ea1 n GLU 119 N 1.03 1.53 -1.35 4.97 0.28 -1.26 -4.53 120.64 121.30 3ea1 n GLU 119 Ca -0.21 0.55 -0.36 0.00 -0.16 0.00 0.00 57.16 56.98 3ea1 n GLU 119 Cb 0.57 -2.23 0.08 0.00 1.43 0.00 0.00 31.44 31.29 3ea1 n GLU 119 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ea1 n ASP 120 N 0.09 -0.06 -4.77 -1.84 8.00 -1.26 -4.70 116.55 112.01 3ea1 n ASP 120 Ca 0.09 0.66 -0.39 0.00 0.71 0.00 0.00 54.79 55.86 3ea1 n ASP 120 Cb 0.41 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.13 3ea1 n ASP 120 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ea1 s MET 121 N -3.07 4.36 0.15 -1.24 -1.94 -0.16 -4.95 119.30 112.46 3ea1 s MET 121 Ca 0.71 1.71 -0.31 0.00 -1.71 0.00 0.00 55.69 56.09 3ea1 s MET 121 Cb -0.36 -2.87 -0.10 0.00 2.01 0.00 0.00 34.83 33.52 3ea1 s MET 121 CO 0.52 -0.01 1.56 -1.59 -0.01 0.00 0.00 175.02 175.49 3ea1 s LYS 122 N -1.97 4.22 0.00 2.03 -2.85 -1.26 -2.69 119.74 117.22 3ea1 s LYS 122 Ca 0.51 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 57.81 3ea1 s LYS 122 Cb -0.28 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.29 3ea1 s LYS 122 CO 0.36 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3ea1 n GLY 123 N 3.75 0.82 3.75 0.59 0.00 -1.26 -4.82 105.19 108.01 3ea1 n GLY 123 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ea1 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea1 s ALA 124 N -2.00 3.67 0.09 4.61 0.00 -1.09 -4.86 121.76 122.17 3ea1 s ALA 124 Ca 0.00 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.19 3ea1 s ALA 124 Cb 0.00 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 3ea1 s ALA 124 CO 0.00 -0.83 1.53 1.49 0.00 0.00 0.00 175.76 177.95 3ea1 h GLU 125 N 4.96 0.45 0.00 0.00 4.81 -1.91 -3.47 114.58 119.42 3ea1 h GLU 125 Ca -0.46 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 3ea1 h GLU 125 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ea1 h GLU 125 CO 0.78 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 180.08 3ea1 n GLY 126 N -0.34 7.05 3.96 1.92 0.00 -1.26 -5.14 105.19 111.38 3ea1 n GLY 126 Ca -0.03 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 3ea1 n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ea1 s SER 127 N 1.00 5.19 0.11 1.61 1.04 -1.26 -4.92 113.70 116.47 3ea1 s SER 127 Ca 0.00 -0.74 -0.20 0.00 0.48 0.00 0.00 55.95 55.49 3ea1 s SER 127 Cb 0.00 -0.25 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 3ea1 s SER 127 CO 0.00 -0.92 1.72 0.15 0.98 0.00 0.00 173.24 175.18 3ea1 h PHE 128 N 0.67 0.28 -0.33 5.02 3.04 -1.99 -0.06 116.94 123.56 3ea1 h PHE 128 Ca -0.37 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.48 3ea1 h PHE 128 Cb 1.28 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 3ea1 h PHE 128 CO 0.52 0.24 -0.13 0.66 -2.02 0.00 0.00 178.31 177.58 3ea1 h SER 129 N 0.24 0.69 -0.60 0.41 4.64 -1.92 -1.93 113.55 115.07 3ea1 h SER 129 Ca 0.07 -0.39 -0.10 0.00 -0.47 0.00 0.00 61.79 60.90 3ea1 h SER 129 Cb 0.05 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3ea1 h SER 129 CO -0.01 0.93 -0.01 0.77 -0.87 0.00 0.00 176.83 177.63 3ea1 h SER 130 N 0.45 1.05 -0.41 4.97 4.64 -1.86 -1.54 113.55 120.85 3ea1 h SER 130 Ca 0.08 -0.31 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 3ea1 h SER 130 Cb 0.65 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3ea1 h SER 130 CO 0.04 1.11 -0.02 0.74 -0.87 0.00 0.00 176.83 177.83 3ea1 h THR 131 N 0.97 1.26 -0.49 2.95 2.02 -0.99 -1.38 112.91 117.24 3ea1 h THR 131 Ca 0.17 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 3ea1 h THR 131 Cb 0.58 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3ea1 h THR 131 CO 0.03 0.36 0.15 0.15 0.37 0.00 0.00 175.52 176.58 3ea1 h PHE 132 N 0.57 0.81 -0.42 3.16 3.57 -1.22 -0.98 116.94 122.42 3ea1 h PHE 132 Ca 0.11 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.42 3ea1 h PHE 132 Cb 0.51 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3ea1 h PHE 132 CO 0.04 0.71 -0.15 0.93 -2.23 0.00 0.00 178.31 177.61 3ea1 h GLU 133 N 0.67 0.84 0.07 1.11 5.08 -1.22 0.30 114.58 121.42 3ea1 h GLU 133 Ca 0.16 -0.34 -0.24 0.00 -1.00 0.00 0.00 59.36 57.93 3ea1 h GLU 133 Cb 0.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ea1 h GLU 133 CO -0.00 0.98 -1.09 -0.22 -1.00 0.00 0.00 179.01 177.68 3ea1 h LYS 134 N 0.67 0.27 0.00 2.33 3.64 -1.23 -2.77 116.57 119.48 3ea1 h LYS 134 Ca 0.10 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3ea1 h LYS 134 Cb 0.69 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3ea1 h LYS 134 CO 0.05 1.13 -1.21 0.09 -2.27 0.00 0.00 179.45 177.24 3ea1 n ASN 135 N -3.60 0.81 0.06 4.20 3.02 -0.38 -4.70 115.26 114.67 3ea1 n ASN 135 Ca -0.07 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3ea1 n ASN 135 Cb 0.93 1.30 0.00 0.00 -0.61 0.00 0.00 39.78 41.40 3ea1 n ASN 135 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ea1 n TYR 136 N -1.68 -0.64 0.06 3.10 4.02 -0.39 -4.85 117.16 116.77 3ea1 n TYR 136 Ca 0.01 0.11 0.17 0.00 -0.01 0.00 0.00 57.90 58.19 3ea1 n TYR 136 Cb 0.35 0.20 0.68 0.00 -0.02 0.00 0.00 39.34 40.55 3ea1 n TYR 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3ea1 h PHE 137 N 0.00 0.01 -0.12 -0.72 3.57 -1.07 -1.63 116.94 116.98 3ea1 h PHE 137 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3ea1 h PHE 137 Cb 0.20 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3ea1 h PHE 137 CO 0.00 0.00 0.14 -0.24 -2.23 0.00 0.00 178.31 175.98 3ea1 h VAL 138 N 0.01 0.46 -2.37 1.41 3.04 -1.74 -3.43 116.25 113.63 3ea1 h VAL 138 Ca 0.20 0.00 -0.57 0.00 -1.01 0.00 0.00 66.70 65.32 3ea1 h VAL 138 Cb 0.78 0.89 0.06 0.00 -2.01 0.00 0.00 31.29 31.01 3ea1 h VAL 138 CO -0.00 0.00 0.87 -0.67 -1.01 0.00 0.00 177.57 176.76 3ea1 n ASP 139 N -3.78 3.37 0.28 3.17 -0.08 -0.62 -4.85 116.55 114.05 3ea1 n ASP 139 Ca -0.00 1.07 0.14 0.00 -1.51 0.00 0.00 54.79 54.49 3ea1 n ASP 139 Cb 0.25 -1.47 0.76 0.00 2.34 0.00 0.00 41.12 42.99 3ea1 n ASP 139 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ea1 h PRO 140 N 6.30 0.00 0.00 -0.67 0.11 -1.90 -1.32 132.00 134.52 3ea1 h PRO 140 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ea1 h PRO 140 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ea1 h PRO 140 CO 0.91 0.00 -0.02 0.97 -0.21 0.00 0.00 178.00 179.65 3ea1 h ILE 141 N 0.00 0.83 -3.31 4.15 6.09 -1.91 -3.41 117.51 119.96 3ea1 h ILE 141 Ca 0.00 -0.07 -0.58 0.00 -1.37 0.00 0.00 64.86 62.84 3ea1 h ILE 141 Cb 0.48 1.04 -0.07 0.00 0.47 0.00 0.00 36.82 38.74 3ea1 h ILE 141 CO 0.00 0.02 0.38 -0.36 -3.07 0.00 0.00 178.15 175.12 3ea1 s PHE 142 N -4.85 3.44 0.26 2.19 0.08 -0.50 -0.89 117.98 117.70 3ea1 s PHE 142 Ca -0.05 1.28 -0.31 0.00 0.12 0.00 0.00 56.93 57.97 3ea1 s PHE 142 Cb 0.16 -3.01 -0.12 0.00 -0.57 0.00 0.00 43.02 39.49 3ea1 s PHE 142 CO 0.63 -0.21 1.64 -1.17 -0.10 0.00 0.00 175.22 176.01 3ea1 s LEU 143 N 2.04 4.35 0.00 -0.37 2.96 -0.82 -4.91 118.68 121.92 3ea1 s LEU 143 Ca 0.39 2.92 0.16 0.00 -0.22 0.00 0.00 54.13 57.38 3ea1 s LEU 143 Cb -0.17 -3.62 0.28 0.00 0.50 0.00 0.00 46.19 43.18 3ea1 s LEU 143 CO 0.13 -0.94 1.19 0.29 -1.32 0.00 0.00 176.35 175.70 3ea1 n LYS 144 N 2.88 1.98 -3.66 1.98 4.76 -1.26 -3.77 118.16 121.07 3ea1 n LYS 144 Ca 0.11 -1.86 -0.20 0.00 -2.87 0.00 0.00 58.31 53.49 3ea1 n LYS 144 Cb 0.37 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 3ea1 n LYS 144 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ea1 s THR 145 N -1.22 3.69 0.00 -0.18 -4.23 -1.26 -3.37 115.64 109.07 3ea1 s THR 145 Ca 0.26 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 3ea1 s THR 145 Cb 0.16 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3ea1 s THR 145 CO 0.22 -0.16 0.00 -0.62 -0.54 0.00 0.00 174.62 173.52 3ea1 n GLU 146 N -1.49 0.54 0.00 3.99 1.02 -1.26 -1.67 120.64 121.76 3ea1 n GLU 146 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3ea1 n GLU 146 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3ea1 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ea1 n GLY 147 N 3.72 -0.30 2.98 0.62 0.00 -1.26 -3.84 105.19 107.10 3ea1 n GLY 147 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3ea1 n GLY 147 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ea1 n ASN 148 N -1.21 4.95 -3.39 1.61 5.15 -1.26 -4.91 115.26 116.20 3ea1 n ASN 148 Ca 0.00 -3.05 -0.46 0.00 -0.60 0.00 0.00 54.58 50.47 3ea1 n ASN 148 Cb 0.00 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 37.66 3ea1 n ASN 148 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3ea1 n ILE 149 N 3.89 0.00 -3.82 -1.44 5.41 -1.25 -4.72 119.36 117.43 3ea1 n ILE 149 Ca 0.41 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.88 3ea1 n ILE 149 Cb 0.38 -0.14 -0.03 0.00 -0.71 0.00 0.00 39.64 39.14 3ea1 n ILE 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3ea1 s LYS 150 N 0.84 3.49 0.21 0.38 1.02 -1.26 -0.81 119.74 123.60 3ea1 s LYS 150 Ca 0.71 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 3ea1 s LYS 150 Cb -1.00 -2.92 0.25 0.00 -0.52 0.00 0.00 37.83 33.64 3ea1 s LYS 150 CO 0.49 0.49 1.79 1.25 -0.92 0.00 0.00 175.35 178.44 3ea1 h LEU 151 N 2.35 0.44 -0.64 3.17 5.85 -1.10 -2.59 115.31 122.79 3ea1 h LEU 151 Ca -0.47 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.41 3ea1 h LEU 151 Cb 1.18 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 3ea1 h LEU 151 CO 0.70 0.28 0.15 1.23 -0.34 0.00 0.00 178.44 180.46 3ea1 h GLY 152 N 0.58 0.84 2.00 3.75 0.00 -1.33 0.05 103.07 108.98 3ea1 h GLY 152 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3ea1 h GLY 152 CO -0.22 -0.12 0.00 -0.55 0.00 0.00 0.00 176.54 175.65 3ea1 h ASP 153 N 0.28 0.00 0.85 0.19 3.32 -1.74 -3.23 116.42 116.09 3ea1 h ASP 153 Ca 0.34 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 3ea1 h ASP 153 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3ea1 h ASP 153 CO -0.42 0.00 -1.21 0.00 -1.72 0.00 0.00 179.24 175.89 3ea1 h ALA 154 N 2.03 0.61 -1.96 3.45 0.00 -0.72 -3.46 119.26 119.21 3ea1 h ALA 154 Ca 0.00 -0.52 -0.63 0.00 0.00 0.00 0.00 54.91 53.76 3ea1 h ALA 154 Cb 0.73 0.16 0.07 0.00 0.00 0.00 0.00 17.79 18.75 3ea1 h ALA 154 CO 0.00 0.57 0.53 0.54 0.00 0.00 0.00 179.25 180.89 3ea1 n ARG 155 N -2.83 1.56 -0.95 0.00 1.74 -0.17 -1.13 116.66 114.88 3ea1 n ARG 155 Ca -0.06 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3ea1 n ARG 155 Cb 0.73 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3ea1 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ea1 n GLY 156 N 2.58 0.69 3.45 -0.13 0.00 0.92 -4.97 105.19 107.73 3ea1 n GLY 156 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3ea1 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ea1 s LYS 157 N -0.20 1.67 -0.20 1.61 1.02 -0.28 -4.99 119.74 118.36 3ea1 s LYS 157 Ca 0.00 -1.93 -0.08 0.00 0.02 0.00 0.00 55.97 53.98 3ea1 s LYS 157 Cb 0.00 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 3ea1 s LYS 157 CO 0.00 -0.21 0.07 0.42 -0.92 0.00 0.00 175.35 174.72 3ea1 s ILE 158 N -3.30 4.76 -0.33 2.17 1.01 -0.07 -2.36 121.20 123.09 3ea1 s ILE 158 Ca 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 3ea1 s ILE 158 Cb 0.08 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 3ea1 s ILE 158 CO 0.15 0.42 0.20 -0.69 0.00 0.00 0.00 174.94 175.03 3ea1 s VAL 159 N 0.69 5.03 0.11 2.92 1.01 0.21 -1.95 120.40 128.42 3ea1 s VAL 159 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3ea1 s VAL 159 Cb -0.13 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3ea1 s VAL 159 CO 0.02 0.03 1.01 -0.22 0.00 0.00 0.00 175.10 175.94 3ea1 s LEU 160 N 1.68 4.48 -0.40 3.92 2.96 -1.26 -0.13 118.68 129.93 3ea1 s LEU 160 Ca 0.06 1.86 0.01 0.00 -0.22 0.00 0.00 54.13 55.83 3ea1 s LEU 160 Cb -0.17 -3.59 0.11 0.00 0.50 0.00 0.00 46.19 43.04 3ea1 s LEU 160 CO 0.09 -0.14 0.15 -0.22 -1.32 0.00 0.00 176.35 174.91 3ea1 s LEU 161 N 0.07 4.97 0.04 -0.68 2.96 0.17 -0.38 118.68 125.83 3ea1 s LEU 161 Ca 0.49 -2.21 -0.31 0.00 -0.22 0.00 0.00 54.13 51.88 3ea1 s LEU 161 Cb -0.25 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 3ea1 s LEU 161 CO 0.31 -0.44 1.39 -0.54 -1.32 0.00 0.00 176.35 175.75 3ea1 s LYS 162 N 0.86 4.30 -0.14 1.98 1.02 -0.88 -2.13 119.74 124.75 3ea1 s LYS 162 Ca 0.11 2.00 0.16 0.00 0.02 0.00 0.00 55.97 58.25 3ea1 s LYS 162 Cb -0.21 -3.46 0.41 0.00 -0.52 0.00 0.00 37.83 34.06 3ea1 s LYS 162 CO -0.06 -0.51 1.20 0.54 -0.92 0.00 0.00 175.35 175.60 3ea1 n ARG 163 N 4.83 1.06 -4.11 1.68 1.74 -0.33 -3.85 116.66 117.68 3ea1 n ARG 163 Ca 0.12 -2.85 -0.15 0.00 -0.77 0.00 0.00 57.85 54.21 3ea1 n ARG 163 Cb 0.43 -1.10 -0.12 0.00 -1.02 0.00 0.00 32.46 30.66 3ea1 n ARG 163 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3ea1 s TYR 164 N -2.18 0.89 0.38 -1.55 -0.85 -1.24 -4.30 117.35 108.50 3ea1 s TYR 164 Ca 0.36 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.43 3ea1 s TYR 164 Cb 0.37 -0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 3ea1 s TYR 164 CO -0.10 -0.03 0.56 -1.54 -1.52 0.00 0.00 175.55 172.92 3ea1 s SER 165 N -1.73 5.97 0.00 -0.18 1.04 -1.26 -4.57 113.70 112.97 3ea1 s SER 165 Ca -0.06 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3ea1 s SER 165 Cb -0.09 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.54 3ea1 s SER 165 CO 0.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3ea1 n GLY 166 N -1.83 0.74 3.62 7.32 0.00 -1.26 -4.69 105.19 109.10 3ea1 n GLY 166 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ea1 n GLY 166 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ea1 n SER 167 N 0.00 1.40 0.00 1.61 2.88 -1.26 -4.85 113.62 113.40 3ea1 n SER 167 Ca 0.00 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 3ea1 n SER 167 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 3ea1 n SER 167 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3ea1 n ASN 168 N 0.32 0.82 -4.18 -3.46 5.15 -1.26 -5.06 115.26 107.58 3ea1 n ASN 168 Ca 0.09 -1.38 -0.25 0.00 -0.60 0.00 0.00 54.58 52.44 3ea1 n ASN 168 Cb 0.40 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.50 3ea1 n ASN 168 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ea1 s GLU 169 N -0.38 1.44 0.50 1.20 0.41 -1.26 -5.14 118.70 115.47 3ea1 s GLU 169 Ca 0.00 -0.69 -0.17 0.00 -0.41 0.00 0.00 54.97 53.70 3ea1 s GLU 169 Cb 0.00 -1.41 -0.08 0.00 -1.78 0.00 0.00 34.13 30.85 3ea1 s GLU 169 CO 0.00 0.38 0.98 -1.12 -0.49 0.00 0.00 175.26 175.01 3ea1 s SER 170 N -0.55 6.68 0.00 -0.19 0.01 -1.26 -5.01 113.70 113.37 3ea1 s SER 170 Ca 0.07 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.93 3ea1 s SER 170 Cb -0.07 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.64 3ea1 s SER 170 CO -0.00 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.71 3ea1 n GLY 171 N -1.37 4.30 7.00 3.44 0.00 -1.22 -4.70 105.19 112.64 3ea1 n GLY 171 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3ea1 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea1 n GLY 172 N -0.43 -0.23 3.64 -0.02 0.00 -0.67 -4.76 105.19 102.72 3ea1 n GLY 172 Ca 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3ea1 n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ea1 s TYR 173 N 0.00 3.27 0.72 1.61 2.02 0.49 -4.53 117.35 120.94 3ea1 s TYR 173 Ca 0.00 0.10 -0.15 0.00 -0.37 0.00 0.00 57.07 56.65 3ea1 s TYR 173 Cb 0.00 -2.13 0.04 0.00 -0.40 0.00 0.00 41.96 39.46 3ea1 s TYR 173 CO 0.00 0.12 1.18 -0.80 -1.57 0.00 0.00 175.55 174.49 3ea1 s ASN 174 N 0.56 4.34 0.43 2.29 0.02 -1.26 -2.08 114.94 119.24 3ea1 s ASN 174 Ca 0.05 2.26 -0.24 0.00 -1.02 0.00 0.00 52.86 53.91 3ea1 s ASN 174 Cb -0.13 -2.58 -0.08 0.00 0.02 0.00 0.00 41.25 38.49 3ea1 s ASN 174 CO 0.01 -2.16 1.17 0.21 0.02 0.00 0.00 177.10 176.34 3ea1 s ASN 175 N -2.20 6.32 0.10 -1.22 2.47 -1.25 -4.60 114.94 114.57 3ea1 s ASN 175 Ca 0.72 2.32 -0.04 0.00 0.42 0.00 0.00 52.86 56.28 3ea1 s ASN 175 Cb -0.27 -2.61 -0.03 0.00 -1.45 0.00 0.00 41.25 36.90 3ea1 s ASN 175 CO 0.45 -0.81 0.10 0.72 -3.72 0.00 0.00 177.10 173.84 3ea1 s PHE 176 N -1.49 0.52 0.10 0.43 -0.12 -1.26 -5.02 117.98 111.13 3ea1 s PHE 176 Ca 0.61 -0.96 -0.31 0.00 -0.05 0.00 0.00 56.93 56.22 3ea1 s PHE 176 Cb -0.29 -0.29 -0.10 0.00 -0.63 0.00 0.00 43.02 41.71 3ea1 s PHE 176 CO 0.36 -0.52 1.88 -0.47 -0.05 0.00 0.00 175.22 176.42 3ea1 s TYR 177 N -3.95 1.88 -0.54 3.49 5.04 -1.26 -4.95 117.35 117.06 3ea1 s TYR 177 Ca 0.13 -0.16 0.04 0.00 -2.44 0.00 0.00 57.07 54.64 3ea1 s TYR 177 Cb 0.06 -4.21 0.14 0.00 0.35 0.00 0.00 41.96 38.31 3ea1 s TYR 177 CO -0.05 -5.11 0.31 -0.46 -1.34 0.00 0.00 175.55 168.90 3ea1 s TRP 178 N 3.25 2.89 0.60 4.97 -0.11 -1.26 -4.97 118.94 124.31 3ea1 s TRP 178 Ca 0.83 -3.00 -0.18 0.00 1.22 0.00 0.00 56.10 54.98 3ea1 s TRP 178 Cb -0.45 -2.49 -0.05 0.00 -1.50 0.00 0.00 33.47 28.97 3ea1 s TRP 178 CO 0.38 -0.71 0.88 -0.35 -4.62 0.00 0.00 176.95 172.53 3ea1 n PRO 179 N 2.95 0.80 -2.60 5.86 -0.04 -1.26 -4.93 135.00 135.77 3ea1 n PRO 179 Ca 0.10 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.46 3ea1 n PRO 179 Cb 0.34 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 3ea1 n PRO 179 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ea1 s ASP 180 N -1.26 7.34 -1.19 3.54 2.15 -1.26 -4.25 116.67 121.76 3ea1 s ASP 180 Ca 0.75 1.93 -0.30 0.00 0.43 0.00 0.00 52.55 55.36 3ea1 s ASP 180 Cb -0.42 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 39.64 3ea1 s ASP 180 CO 0.48 -0.19 0.73 -3.20 -0.17 0.00 0.00 175.17 172.81 3ea1 n ASN 181 N 2.85 -4.60 -3.77 -0.34 5.15 -1.25 -4.96 115.26 108.34 3ea1 n ASN 181 Ca 0.04 -1.20 -0.08 0.00 -0.60 0.00 0.00 54.58 52.74 3ea1 n ASN 181 Cb 0.48 -2.30 -0.03 0.00 -0.53 0.00 0.00 39.78 37.40 3ea1 n ASN 181 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ea1 s GLU 182 N -6.90 1.77 -0.20 1.20 0.41 -1.18 -4.71 118.70 109.09 3ea1 s GLU 182 Ca 0.49 -1.15 -0.06 0.00 -0.41 0.00 0.00 54.97 53.85 3ea1 s GLU 182 Cb -0.24 0.56 -0.03 0.00 -1.78 0.00 0.00 34.13 32.65 3ea1 s GLU 182 CO 0.93 -0.79 0.02 0.99 -0.49 0.00 0.00 175.26 175.92 3ea1 s THR 183 N -3.73 4.16 0.20 3.63 2.01 -1.26 -1.82 115.64 118.82 3ea1 s THR 183 Ca 0.16 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3ea1 s THR 183 Cb -0.04 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 3ea1 s THR 183 CO 0.09 0.43 0.22 0.72 -0.69 0.00 0.00 174.62 175.39 3ea1 s PHE 184 N 0.88 0.81 -0.00 4.92 -0.12 0.12 -4.99 117.98 119.60 3ea1 s PHE 184 Ca 0.02 -1.11 0.02 0.00 -0.05 0.00 0.00 56.93 55.81 3ea1 s PHE 184 Cb -0.14 -0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 3ea1 s PHE 184 CO 0.02 -0.72 -0.07 0.99 -0.05 0.00 0.00 175.22 175.39 3ea1 s THR 185 N -4.08 0.56 0.00 -4.49 2.01 -1.26 -0.96 115.64 107.42 3ea1 s THR 185 Ca 0.30 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3ea1 s THR 185 Cb 0.05 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.08 3ea1 s THR 185 CO 0.08 0.15 0.00 1.07 -0.69 0.00 0.00 174.62 175.23 3ea1 n THR 186 N 2.88 0.00 -4.32 -0.82 5.66 0.29 -4.99 114.28 112.97 3ea1 n THR 186 Ca -0.13 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.69 3ea1 n THR 186 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 3ea1 n THR 186 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ea1 s THR 187 N -2.85 1.61 0.01 1.09 -4.23 -1.26 0.19 115.64 110.20 3ea1 s THR 187 Ca 0.00 -2.15 -0.14 0.00 -1.18 0.00 0.00 61.69 58.23 3ea1 s THR 187 Cb 0.00 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.89 3ea1 s THR 187 CO 0.00 -0.61 0.29 0.54 -0.54 0.00 0.00 174.62 174.30 3ea1 s VAL 188 N -2.97 0.07 -1.35 2.29 0.11 0.62 -4.87 120.40 114.30 3ea1 s VAL 188 Ca 0.20 -0.59 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 3ea1 s VAL 188 Cb -0.00 -0.75 0.08 0.00 -1.53 0.00 0.00 36.38 34.18 3ea1 s VAL 188 CO 0.05 -0.33 0.56 0.59 -3.33 0.00 0.00 175.10 172.64 3ea1 n ASN 189 N 0.97 -3.76 0.00 3.54 4.13 -1.26 -1.66 115.26 117.22 3ea1 n ASN 189 Ca -0.20 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.57 3ea1 n ASN 189 Cb 0.57 -3.10 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 3ea1 n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ea1 n GLN 190 N -3.86 0.00 -0.67 3.52 1.13 -1.26 -4.22 117.38 112.01 3ea1 n GLN 190 Ca -0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3ea1 n GLN 190 Cb 0.53 0.00 0.22 0.00 0.11 0.00 0.00 30.24 31.10 3ea1 n GLN 190 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3ea1 n ASN 191 N 0.91 2.95 -3.96 1.08 2.04 -1.24 -4.96 115.26 112.09 3ea1 n ASN 191 Ca 0.00 -3.50 -0.29 0.00 -0.44 0.00 0.00 54.58 50.35 3ea1 n ASN 191 Cb 0.00 -0.60 -0.16 0.00 -2.53 0.00 0.00 39.78 36.48 3ea1 n ASN 191 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3ea1 s VAL 192 N -3.10 1.40 0.03 3.53 1.01 -0.67 -4.83 120.40 117.78 3ea1 s VAL 192 Ca 0.44 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 3ea1 s VAL 192 Cb 0.38 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3ea1 s VAL 192 CO 0.03 0.23 0.80 0.20 0.00 0.00 0.00 175.10 176.36 3ea1 s ASN 193 N 1.52 7.23 -0.08 3.32 -0.87 -0.31 -0.28 114.94 125.47 3ea1 s ASN 193 Ca 0.01 1.47 0.05 0.00 -1.57 0.00 0.00 52.86 52.82 3ea1 s ASN 193 Cb -0.15 -2.48 -0.00 0.00 -0.02 0.00 0.00 41.25 38.59 3ea1 s ASN 193 CO -0.09 -0.04 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.48 3ea1 s VAL 194 N 0.19 1.93 -0.13 1.60 1.01 0.13 0.96 120.40 126.09 3ea1 s VAL 194 Ca 0.41 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ea1 s VAL 194 Cb -0.20 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3ea1 s VAL 194 CO 0.24 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.82 3ea1 s THR 195 N 0.18 1.63 -0.06 3.92 2.01 0.79 -0.55 115.64 123.56 3ea1 s THR 195 Ca -0.12 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3ea1 s THR 195 Cb -0.16 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3ea1 s THR 195 CO 0.06 0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.61 3ea1 s VAL 196 N 1.14 1.38 -0.35 3.82 1.01 -0.14 -1.03 120.40 126.24 3ea1 s VAL 196 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3ea1 s VAL 196 Cb -0.14 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 35.10 3ea1 s VAL 196 CO -0.05 0.40 0.10 -1.58 0.00 0.00 0.00 175.10 173.97 3ea1 s GLN 197 N 0.27 2.35 -0.37 2.72 -0.44 -0.35 -0.70 119.66 123.14 3ea1 s GLN 197 Ca -0.09 -1.42 0.14 0.00 -2.50 0.00 0.00 55.36 51.48 3ea1 s GLN 197 Cb -0.13 -3.39 0.41 0.00 -1.64 0.00 0.00 33.01 28.25 3ea1 s GLN 197 CO 0.03 -0.78 0.90 -3.47 0.50 0.00 0.00 175.29 172.47 3ea1 n ASP 198 N 4.67 1.90 -4.51 6.67 2.03 -0.76 -1.69 116.55 124.86 3ea1 n ASP 198 Ca -0.09 -3.00 -0.43 0.00 0.52 0.00 0.00 54.79 51.78 3ea1 n ASP 198 Cb 0.43 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 3ea1 n ASP 198 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ea1 s LYS 199 N -2.99 3.86 0.18 -0.67 1.02 -1.26 -3.13 119.74 116.75 3ea1 s LYS 199 Ca 0.35 -1.95 0.26 0.00 0.02 0.00 0.00 55.97 54.65 3ea1 s LYS 199 Cb 0.41 -5.22 0.82 0.00 -0.52 0.00 0.00 37.83 33.31 3ea1 s LYS 199 CO -0.04 -1.99 1.75 2.48 -0.92 0.00 0.00 175.35 176.63 3ea1 n TYR 200 N 7.25 0.78 -2.20 3.18 4.11 -1.26 -4.17 117.16 124.86 3ea1 n TYR 200 Ca 0.37 0.23 0.01 0.00 -0.00 0.00 0.00 57.90 58.51 3ea1 n TYR 200 Cb 0.47 -0.86 0.09 0.00 -0.00 0.00 0.00 39.34 39.03 3ea1 n TYR 200 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3ea1 n LYS 201 N -2.15 1.09 -2.63 -3.48 2.85 -1.26 -0.33 118.16 112.25 3ea1 n LYS 201 Ca 0.06 -2.83 -0.22 0.00 -1.05 0.00 0.00 58.31 54.27 3ea1 n LYS 201 Cb 0.42 -0.96 0.05 0.00 -0.65 0.00 0.00 35.03 33.89 3ea1 n LYS 201 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3ea1 s VAL 202 N -2.00 2.53 0.75 0.58 -7.23 -1.26 -5.04 120.40 108.72 3ea1 s VAL 202 Ca 0.36 -0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 3ea1 s VAL 202 Cb 0.38 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 34.48 3ea1 s VAL 202 CO -0.10 0.00 1.10 0.54 -0.31 0.00 0.00 175.10 176.33 3ea1 s ASN 203 N -4.50 4.62 0.15 4.85 2.20 -1.26 -4.77 114.94 116.24 3ea1 s ASN 203 Ca 0.59 1.88 -0.24 0.00 -0.94 0.00 0.00 52.86 54.15 3ea1 s ASN 203 Cb -0.09 -2.53 0.02 0.00 -2.00 0.00 0.00 41.25 36.65 3ea1 s ASN 203 CO 0.40 -1.96 1.61 0.22 -2.94 0.00 0.00 177.10 174.43 3ea1 h TYR 204 N -0.83 -0.87 -0.62 1.54 5.03 -1.99 -0.64 116.97 118.58 3ea1 h TYR 204 Ca -0.44 0.05 0.09 0.00 2.58 0.00 0.00 58.73 61.01 3ea1 h TYR 204 Cb 1.24 0.42 -0.07 0.00 1.55 0.00 0.00 36.73 39.87 3ea1 h TYR 204 CO 0.57 -0.38 0.24 -0.44 -1.32 0.00 0.00 178.16 176.82 3ea1 h ASP 205 N -0.31 0.25 -0.25 -2.11 3.32 -2.00 -0.63 116.42 114.68 3ea1 h ASP 205 Ca 0.13 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3ea1 h ASP 205 Cb 0.53 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3ea1 h ASP 205 CO -0.44 0.14 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.08 3ea1 h GLU 206 N 0.43 0.62 0.15 3.56 4.81 -1.80 -1.96 114.58 120.38 3ea1 h GLU 206 Ca 0.31 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3ea1 h GLU 206 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ea1 h GLU 206 CO -0.30 0.69 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.37 3ea1 h LYS 207 N 0.58 -0.19 -0.88 1.92 1.63 0.30 -0.57 116.57 119.36 3ea1 h LYS 207 Ca 0.11 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3ea1 h LYS 207 Cb 0.46 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 3ea1 h LYS 207 CO 0.02 -0.01 0.51 0.28 -3.45 0.00 0.00 179.45 176.81 3ea1 h VAL 208 N -0.34 1.25 -0.60 2.00 2.07 -1.08 -0.43 116.25 119.12 3ea1 h VAL 208 Ca -0.02 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 3ea1 h VAL 208 Cb 0.27 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3ea1 h VAL 208 CO 0.03 0.26 -0.01 0.50 0.02 0.00 0.00 177.57 178.37 3ea1 h LYS 209 N 1.21 1.07 -0.60 1.57 3.64 -1.24 -1.67 116.57 120.54 3ea1 h LYS 209 Ca 0.31 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3ea1 h LYS 209 Cb -0.03 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3ea1 h LYS 209 CO -0.06 1.05 0.05 0.77 -2.27 0.00 0.00 179.45 178.99 3ea1 h SER 210 N 0.97 0.97 -0.08 4.20 0.02 -0.38 0.15 113.55 119.41 3ea1 h SER 210 Ca 0.17 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3ea1 h SER 210 Cb 0.57 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3ea1 h SER 210 CO 0.03 1.00 0.03 0.40 -1.14 0.00 0.00 176.83 177.15 3ea1 h ILE 211 N 0.94 1.13 -0.64 3.27 2.04 -0.87 -2.04 117.51 121.34 3ea1 h ILE 211 Ca 0.18 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3ea1 h ILE 211 Cb 0.47 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3ea1 h ILE 211 CO 0.02 0.12 0.14 0.11 0.00 0.00 0.00 178.15 178.53 3ea1 h LYS 212 N -0.03 1.01 -0.24 2.37 1.57 -1.09 -1.25 116.57 118.92 3ea1 h LYS 212 Ca 0.03 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3ea1 h LYS 212 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ea1 h LYS 212 CO -0.00 0.91 0.05 -0.44 -0.57 0.00 0.00 179.45 179.39 3ea1 h ASP 213 N 0.96 0.36 -0.23 0.86 3.32 -0.61 0.14 116.42 121.23 3ea1 h ASP 213 Ca 0.20 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3ea1 h ASP 213 Cb 0.36 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3ea1 h ASP 213 CO 0.00 0.51 -0.16 0.74 -1.72 0.00 0.00 179.24 178.61 3ea1 h THR 214 N 0.20 1.26 -0.11 0.35 2.02 -1.28 -2.05 112.91 113.29 3ea1 h THR 214 Ca 0.07 -1.20 -0.15 0.00 0.77 0.00 0.00 66.41 65.91 3ea1 h THR 214 Cb 0.30 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3ea1 h THR 214 CO 0.00 0.40 -0.58 -0.03 0.37 0.00 0.00 175.52 175.68 3ea1 h MET 215 N 0.59 0.36 -0.37 6.66 1.85 -1.06 -1.38 114.93 121.59 3ea1 h MET 215 Ca 0.10 -0.24 -0.01 0.00 -0.61 0.00 0.00 59.70 58.94 3ea1 h MET 215 Cb 0.62 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.66 3ea1 h MET 215 CO 0.04 0.83 0.18 -0.44 -0.40 0.00 0.00 176.91 177.13 3ea1 h ASP 216 N 0.27 0.48 -0.39 1.39 3.32 -0.39 0.17 116.42 121.27 3ea1 h ASP 216 Ca -0.00 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3ea1 h ASP 216 Cb 1.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 3ea1 h ASP 216 CO 0.10 0.47 0.15 -0.08 -1.72 0.00 0.00 179.24 178.15 3ea1 h GLU 217 N 0.45 0.65 -0.04 3.56 4.81 -1.25 -2.57 114.58 120.19 3ea1 h GLU 217 Ca 0.13 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ea1 h GLU 217 Cb 0.11 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ea1 h GLU 217 CO -0.02 0.56 -0.01 1.15 -0.73 0.00 0.00 179.01 179.96 3ea1 h THR 218 N 0.64 1.29 0.00 0.32 2.02 -0.36 -2.96 112.91 113.86 3ea1 h THR 218 Ca 0.15 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3ea1 h THR 218 Cb 0.18 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3ea1 h THR 218 CO -0.01 0.24 0.00 1.15 0.37 0.00 0.00 175.52 177.27 3ea1 n MET 219 N -4.85 0.16 -0.42 6.66 0.00 -0.04 -2.25 117.12 116.38 3ea1 n MET 219 Ca -0.07 0.10 0.08 0.00 0.00 0.00 0.00 57.70 57.81 3ea1 n MET 219 Cb 0.21 -1.50 0.26 0.00 0.00 0.00 0.00 33.22 32.19 3ea1 n MET 219 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3ea1 n ASN 220 N -1.39 3.89 -2.74 3.17 4.13 -0.98 -4.30 115.26 117.03 3ea1 n ASN 220 Ca 0.08 -2.47 -0.04 0.00 1.68 0.00 0.00 54.58 53.83 3ea1 n ASN 220 Cb 0.21 -0.45 0.07 0.00 -1.54 0.00 0.00 39.78 38.07 3ea1 n ASN 220 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3ea1 n ASN 221 N 0.43 0.59 0.18 6.41 5.15 -0.95 -4.95 115.26 122.11 3ea1 n ASN 221 Ca 0.20 -2.30 0.14 0.00 -0.60 0.00 0.00 54.58 52.02 3ea1 n ASN 221 Cb 0.74 -0.11 0.54 0.00 -0.53 0.00 0.00 39.78 40.42 3ea1 n ASN 221 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3ea1 h SER 222 N 2.36 0.00 -0.12 1.20 4.64 -1.73 -3.11 113.55 116.78 3ea1 h SER 222 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ea1 h SER 222 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ea1 h SER 222 CO 0.17 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.51 3ea1 n GLU 223 N -2.54 1.98 -2.78 4.77 4.71 -1.26 -4.71 120.64 120.81 3ea1 n GLU 223 Ca 0.02 -1.45 -0.43 0.00 -0.01 0.00 0.00 57.16 55.29 3ea1 n GLU 223 Cb 0.28 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 29.23 3ea1 n GLU 223 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3ea1 s ASP 224 N -1.80 6.79 0.59 1.62 -1.08 -1.18 -4.86 116.67 116.75 3ea1 s ASP 224 Ca 0.34 -2.32 0.29 0.00 -0.52 0.00 0.00 52.55 50.34 3ea1 s ASP 224 Cb 0.20 -2.48 1.79 0.00 -1.46 0.00 0.00 42.92 40.97 3ea1 s ASP 224 CO 0.30 -1.08 2.24 -0.07 0.52 0.00 0.00 175.17 177.09 3ea1 h LEU 225 N 11.16 0.00 -3.49 -1.34 3.38 -1.90 -2.69 115.31 120.44 3ea1 h LEU 225 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3ea1 h LEU 225 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3ea1 h LEU 225 CO 1.30 0.00 0.01 -0.46 0.09 0.00 0.00 178.44 179.38 3ea1 n ASN 226 N -3.88 5.10 -4.52 -0.43 6.94 -1.26 -4.28 115.26 112.92 3ea1 n ASN 226 Ca -0.03 -2.99 -0.35 0.00 -0.02 0.00 0.00 54.58 51.19 3ea1 n ASN 226 Cb 0.10 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 36.76 3ea1 n ASN 226 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3ea1 s HIS 227 N -2.81 3.12 -0.25 -2.53 2.46 -1.02 -1.16 115.29 113.10 3ea1 s HIS 227 Ca 0.51 -0.22 -0.10 0.00 0.47 0.00 0.00 55.06 55.71 3ea1 s HIS 227 Cb 0.40 -2.09 -0.05 0.00 -0.13 0.00 0.00 32.58 30.71 3ea1 s HIS 227 CO 0.13 -0.08 0.16 -1.17 -2.47 0.00 0.00 174.74 171.31 3ea1 s LEU 228 N 0.77 4.02 -0.22 8.88 0.20 0.27 -4.58 118.68 128.02 3ea1 s LEU 228 Ca 0.02 0.04 -0.02 0.00 0.69 0.00 0.00 54.13 54.86 3ea1 s LEU 228 Cb -0.14 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.54 3ea1 s LEU 228 CO 0.02 0.02 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.70 3ea1 s TYR 229 N 1.31 2.94 -0.21 5.38 2.02 -1.26 -0.15 117.35 127.38 3ea1 s TYR 229 Ca 0.07 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.47 3ea1 s TYR 229 Cb -0.14 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 3ea1 s TYR 229 CO 0.06 -0.67 -0.16 0.42 -1.57 0.00 0.00 175.55 173.63 3ea1 s ILE 230 N 1.38 2.10 -0.31 2.71 1.01 -0.19 -0.13 121.20 127.77 3ea1 s ILE 230 Ca 0.04 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.48 3ea1 s ILE 230 Cb -0.15 -2.03 0.08 0.00 0.01 0.00 0.00 42.46 40.37 3ea1 s ILE 230 CO -0.06 0.30 -0.00 0.21 0.00 0.00 0.00 174.94 175.38 3ea1 s ASN 231 N 1.21 4.73 -0.33 3.58 3.84 0.74 -1.21 114.94 127.50 3ea1 s ASN 231 Ca -0.01 -1.67 -0.24 0.00 0.21 0.00 0.00 52.86 51.15 3ea1 s ASN 231 Cb -0.16 -1.64 0.01 0.00 -0.55 0.00 0.00 41.25 38.91 3ea1 s ASN 231 CO -0.10 -0.30 0.83 -0.36 -2.79 0.00 0.00 177.10 174.39 3ea1 s PHE 232 N 1.08 3.16 -1.23 0.43 0.40 -0.68 -1.22 117.98 119.91 3ea1 s PHE 232 Ca -0.00 0.79 0.26 0.00 -0.60 0.00 0.00 56.93 57.38 3ea1 s PHE 232 Cb -0.20 -3.36 0.62 0.00 0.51 0.00 0.00 43.02 40.59 3ea1 s PHE 232 CO -0.05 -0.65 1.48 0.25 0.70 0.00 0.00 175.22 176.95 3ea1 n THR 233 N 5.68 0.00 -2.35 0.64 -2.24 -0.08 -4.82 114.28 111.10 3ea1 n THR 233 Ca 0.05 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 3ea1 n THR 233 Cb 0.48 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3ea1 n THR 233 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ea1 s SER 234 N -2.84 6.13 -0.02 3.42 1.04 -1.25 -4.84 113.70 115.34 3ea1 s SER 234 Ca 0.15 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.75 3ea1 s SER 234 Cb 0.18 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.72 3ea1 s SER 234 CO 0.64 -0.94 -0.04 -0.22 0.98 0.00 0.00 173.24 173.66 3ea1 s LEU 235 N -3.33 1.74 0.65 2.42 2.96 -1.26 -4.72 118.68 117.14 3ea1 s LEU 235 Ca 0.67 -0.08 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 3ea1 s LEU 235 Cb -0.24 -0.28 -0.00 0.00 0.50 0.00 0.00 46.19 46.17 3ea1 s LEU 235 CO 0.28 0.01 1.17 -0.94 -1.32 0.00 0.00 176.35 175.56 3ea1 s SER 236 N 0.27 4.90 0.68 3.68 1.04 0.55 -4.43 113.70 120.38 3ea1 s SER 236 Ca -0.03 2.26 -0.16 0.00 0.48 0.00 0.00 55.95 58.50 3ea1 s SER 236 Cb -0.06 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.49 3ea1 s SER 236 CO -0.00 -1.78 1.22 -0.55 0.98 0.00 0.00 173.24 173.10 3ea1 s SER 237 N -2.01 4.55 0.00 7.02 0.15 -1.26 -4.76 113.70 117.40 3ea1 s SER 237 Ca 0.73 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.95 3ea1 s SER 237 Cb -0.27 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.54 3ea1 s SER 237 CO 0.38 -2.02 1.02 0.61 1.20 0.00 0.00 173.24 174.43 3ea1 n GLY 238 N 0.45 0.25 0.48 9.45 0.00 0.38 -4.98 105.19 111.22 3ea1 n GLY 238 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3ea1 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea1 n GLY 239 N 1.08 0.51 3.62 -0.02 0.00 -1.26 -4.99 105.19 104.12 3ea1 n GLY 239 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3ea1 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ea1 s THR 240 N -2.20 1.32 0.15 2.61 -4.23 -1.26 -4.93 115.64 107.10 3ea1 s THR 240 Ca 0.00 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.72 3ea1 s THR 240 Cb 0.00 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.47 3ea1 s THR 240 CO 0.00 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.87 3ea1 h ALA 241 N 1.69 1.02 0.00 3.99 0.00 -1.97 -2.56 119.26 121.43 3ea1 h ALA 241 Ca -0.42 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3ea1 h ALA 241 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ea1 h ALA 241 CO 0.72 0.36 -0.51 -2.67 0.00 0.00 0.00 179.25 177.16 3ea1 n TRP 242 N -3.47 0.16 -2.05 0.00 4.27 -1.26 -4.08 117.44 111.01 3ea1 n TRP 242 Ca -0.00 0.05 0.05 0.00 -3.89 0.00 0.00 57.50 53.70 3ea1 n TRP 242 Cb 0.46 -0.38 0.11 0.00 -1.36 0.00 0.00 31.31 30.14 3ea1 n TRP 242 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 3ea1 n ASN 243 N -1.68 1.37 -4.84 -0.67 0.23 -1.17 -4.75 115.26 103.74 3ea1 n ASN 243 Ca 0.05 -2.95 -0.28 0.00 -0.53 0.00 0.00 54.58 50.86 3ea1 n ASN 243 Cb 0.37 -0.41 0.09 0.00 -2.08 0.00 0.00 39.78 37.74 3ea1 n ASN 243 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ea1 s SER 244 N -2.63 4.48 0.46 0.53 1.04 -0.97 -0.47 113.70 116.14 3ea1 s SER 244 Ca 0.36 0.62 0.12 0.00 0.48 0.00 0.00 55.95 57.53 3ea1 s SER 244 Cb 0.38 -1.12 1.04 0.00 0.10 0.00 0.00 66.02 66.42 3ea1 s SER 244 CO -0.12 -1.88 2.08 -0.65 0.98 0.00 0.00 173.24 173.65 3ea1 h PRO 245 N -0.96 0.23 -0.36 4.02 0.11 -1.77 -1.86 132.00 131.41 3ea1 h PRO 245 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3ea1 h PRO 245 Cb 1.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3ea1 h PRO 245 CO 0.62 0.19 -0.20 -0.92 -0.21 0.00 0.00 178.00 177.48 3ea1 h TYR 246 N 0.24 0.90 -0.00 0.65 3.20 -1.92 -0.14 116.97 119.89 3ea1 h TYR 246 Ca 0.06 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3ea1 h TYR 246 Cb 0.04 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 3ea1 h TYR 246 CO 0.00 0.98 0.00 1.03 -1.64 0.00 0.00 178.16 178.53 3ea1 h SER 247 N 0.56 0.01 -0.40 -2.11 0.87 -1.62 -0.99 113.55 109.87 3ea1 h SER 247 Ca 0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3ea1 h SER 247 Cb 0.76 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3ea1 h SER 247 CO 0.06 0.02 0.12 1.88 -0.53 0.00 0.00 176.83 178.38 3ea1 h TYR 248 N -0.01 0.65 -0.71 2.24 0.05 -1.37 -2.97 116.97 114.84 3ea1 h TYR 248 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ea1 h TYR 248 Cb 0.01 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3ea1 h TYR 248 CO -0.07 0.60 0.46 0.00 -1.05 0.00 0.00 178.16 178.10 3ea1 h ALA 249 N 0.97 1.47 0.00 3.88 0.00 -0.87 0.17 119.26 124.89 3ea1 h ALA 249 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ea1 h ALA 249 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ea1 h ALA 249 CO -0.00 0.48 -0.01 0.66 0.00 0.00 0.00 179.25 180.38 3ea1 h SER 250 N 0.97 0.00 0.00 0.00 4.64 -1.01 -1.09 113.55 117.06 3ea1 h SER 250 Ca 0.26 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.25 3ea1 h SER 250 Cb -0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 3ea1 h SER 250 CO -0.05 0.01 -2.21 -1.54 -0.87 0.00 0.00 176.83 172.17 3ea1 n SER 251 N -3.34 2.16 -0.11 4.97 3.41 -0.82 -4.57 113.62 115.31 3ea1 n SER 251 Ca -0.03 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 3ea1 n SER 251 Cb 0.11 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3ea1 n SER 251 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3ea1 h ILE 252 N -0.22 1.25 -0.13 -1.33 2.04 -0.87 -2.71 117.51 115.54 3ea1 h ILE 252 Ca -0.50 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 64.49 3ea1 h ILE 252 Cb 1.66 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 3ea1 h ILE 252 CO -0.15 0.30 -0.11 0.78 0.00 0.00 0.00 178.15 178.98 3ea1 h ASN 253 N 0.39 -0.34 -0.20 1.72 2.35 -1.43 -1.03 115.58 117.05 3ea1 h ASN 253 Ca 0.10 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3ea1 h ASN 253 Cb 0.41 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3ea1 h ASN 253 CO 0.01 -0.14 -0.18 -0.65 -1.65 0.00 0.00 177.43 174.82 3ea1 h PRO 254 N -0.12 0.62 0.12 0.81 0.11 -1.76 -1.06 132.00 130.72 3ea1 h PRO 254 Ca 0.08 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3ea1 h PRO 254 Cb 0.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3ea1 h PRO 254 CO -0.20 0.77 -0.06 1.49 -0.21 0.00 0.00 178.00 179.79 3ea1 h GLU 255 N 0.56 -0.16 -0.39 1.05 4.57 -1.14 -0.68 114.58 118.39 3ea1 h GLU 255 Ca 0.09 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 3ea1 h GLU 255 Cb 0.63 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3ea1 h GLU 255 CO 0.04 0.01 -0.28 0.82 -1.18 0.00 0.00 179.01 178.42 3ea1 h ILE 256 N -0.29 1.27 -0.88 2.32 1.08 -1.18 -2.48 117.51 117.34 3ea1 h ILE 256 Ca -0.02 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.05 3ea1 h ILE 256 Cb 0.24 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 3ea1 h ILE 256 CO 0.03 0.47 0.58 0.00 -0.69 0.00 0.00 178.15 178.54 3ea1 h ALA 257 N 0.98 1.14 -0.24 1.87 0.00 -1.10 -1.89 119.26 120.02 3ea1 h ALA 257 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ea1 h ALA 257 Cb 0.82 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ea1 h ALA 257 CO 0.07 0.47 -0.22 -0.97 0.00 0.00 0.00 179.25 178.60 3ea1 h ASN 258 N 1.15 0.44 -0.34 0.00 -0.73 -0.86 -1.12 115.58 114.12 3ea1 h ASN 258 Ca 0.34 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.38 3ea1 h ASN 258 Cb -0.07 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 3ea1 h ASN 258 CO -0.09 0.66 0.21 0.44 -0.37 0.00 0.00 177.43 178.28 3ea1 h ASP 259 N 0.40 0.35 -0.33 1.15 3.32 -0.91 0.16 116.42 120.56 3ea1 h ASP 259 Ca 0.06 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ea1 h ASP 259 Cb 0.61 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3ea1 h ASP 259 CO 0.04 0.25 0.07 0.40 -1.72 0.00 0.00 179.24 178.29 3ea1 h ILE 260 N 0.43 1.23 -0.52 0.35 2.04 -1.17 -1.35 117.51 118.51 3ea1 h ILE 260 Ca 0.13 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3ea1 h ILE 260 Cb -0.01 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3ea1 h ILE 260 CO -0.05 0.26 0.32 0.50 0.00 0.00 0.00 178.15 179.18 3ea1 h LYS 261 N 0.37 0.63 -0.21 2.37 3.64 -0.92 0.32 116.57 122.78 3ea1 h LYS 261 Ca 0.10 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3ea1 h LYS 261 Cb 0.31 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ea1 h LYS 261 CO 0.00 0.42 -0.59 1.96 -2.27 0.00 0.00 179.45 178.97 3ea1 h GLN 262 N 0.65 0.70 0.09 1.90 1.08 -0.89 -3.27 115.11 115.36 3ea1 h GLN 262 Ca 0.20 -0.47 -0.26 0.00 -1.45 0.00 0.00 58.65 56.68 3ea1 h GLN 262 Cb -0.01 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3ea1 h GLN 262 CO -0.08 1.09 -1.19 0.87 -0.95 0.00 0.00 178.83 178.58 3ea1 h LYS 263 N 0.52 0.19 -6.03 1.46 1.57 -1.11 -3.49 116.57 109.69 3ea1 h LYS 263 Ca -0.00 -0.33 -0.39 0.00 -1.87 0.00 0.00 60.65 58.06 3ea1 h LYS 263 Cb 1.17 0.12 0.10 0.00 0.08 0.00 0.00 32.23 33.70 3ea1 h LYS 263 CO 0.12 1.15 -0.89 -1.71 -0.57 0.00 0.00 179.45 177.55 3ea1 n ASN 264 N -3.47 -4.08 -4.61 0.86 2.85 0.11 -4.99 115.26 101.93 3ea1 n ASN 264 Ca -0.06 -0.89 -0.29 0.00 -0.11 0.00 0.00 54.58 53.23 3ea1 n ASN 264 Cb 1.00 -3.97 0.14 0.00 1.24 0.00 0.00 39.78 38.19 3ea1 n ASN 264 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3ea1 s PRO 265 N -5.66 1.08 0.00 1.20 0.04 -1.26 -5.01 135.00 125.38 3ea1 s PRO 265 Ca 0.30 0.08 0.23 0.00 0.04 0.00 0.00 61.00 61.66 3ea1 s PRO 265 Cb -0.09 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.76 3ea1 s PRO 265 CO 0.82 -2.20 1.20 0.25 0.04 0.00 0.00 177.00 177.11 3ea1 n THR 266 N -3.73 0.00 -3.64 1.26 -2.24 -1.26 -4.69 114.28 99.99 3ea1 n THR 266 Ca 0.09 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3ea1 n THR 266 Cb 0.60 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 69.94 3ea1 n THR 266 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ea1 s ARG 267 N -2.37 0.58 0.00 -0.78 3.52 -1.25 -4.63 118.95 114.03 3ea1 s ARG 267 Ca 0.22 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3ea1 s ARG 267 Cb 0.19 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 3ea1 s ARG 267 CO 0.50 -0.08 0.16 1.33 -0.81 0.00 0.00 175.30 176.40 3ea1 n VAL 268 N 2.84 0.00 -2.25 7.11 0.24 -1.26 -3.25 118.33 121.76 3ea1 n VAL 268 Ca -0.15 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3ea1 n VAL 268 Cb 0.56 1.46 0.00 0.00 -1.47 0.00 0.00 33.84 34.40 3ea1 n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ea1 n GLY 269 N 0.09 -1.87 3.42 7.63 0.00 -1.26 -4.71 105.19 108.49 3ea1 n GLY 269 Ca 0.00 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 3ea1 n GLY 269 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ea1 s TRP 270 N 0.00 2.98 -0.47 1.61 0.52 0.82 -1.83 118.94 122.56 3ea1 s TRP 270 Ca 0.00 -0.67 -0.17 0.00 0.02 0.00 0.00 56.10 55.28 3ea1 s TRP 270 Cb 0.00 -3.81 0.05 0.00 -1.15 0.00 0.00 33.47 28.56 3ea1 s TRP 270 CO 0.00 -1.20 0.50 0.08 0.02 0.00 0.00 176.95 176.35 3ea1 s VAL 271 N 2.85 5.04 -0.36 4.03 1.01 -0.53 -0.19 120.40 132.25 3ea1 s VAL 271 Ca 0.15 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 3ea1 s VAL 271 Cb -0.20 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3ea1 s VAL 271 CO 0.10 -0.62 0.41 -0.63 0.00 0.00 0.00 175.10 174.36 3ea1 s ILE 272 N 2.19 5.12 0.33 2.22 -1.09 -0.36 -0.98 121.20 128.63 3ea1 s ILE 272 Ca 0.11 -0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.62 3ea1 s ILE 272 Cb -0.20 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 3ea1 s ILE 272 CO 0.11 -0.20 -0.10 0.00 -1.23 0.00 0.00 174.94 173.52 3ea1 s GLN 273 N 2.11 1.86 0.31 2.79 -2.07 -0.01 -0.90 119.66 123.75 3ea1 s GLN 273 Ca 0.13 -1.84 0.00 0.00 -1.82 0.00 0.00 55.36 51.83 3ea1 s GLN 273 Cb -0.16 -1.78 -0.04 0.00 -1.09 0.00 0.00 33.01 29.94 3ea1 s GLN 273 CO 0.12 0.19 0.51 -0.51 -1.32 0.00 0.00 175.29 174.29 3ea1 s ASP 274 N -3.61 6.32 -1.03 12.60 1.01 -1.26 -0.90 116.67 129.81 3ea1 s ASP 274 Ca 0.32 0.44 -0.18 0.00 0.71 0.00 0.00 52.55 53.85 3ea1 s ASP 274 Cb -0.00 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.92 3ea1 s ASP 274 CO 0.17 -0.23 0.67 -1.22 0.21 0.00 0.00 175.17 174.76 3ea1 n TYR 275 N -1.52 -1.80 -2.26 4.23 4.02 0.19 -4.89 117.16 115.13 3ea1 n TYR 275 Ca -0.05 0.48 -0.42 0.00 -0.01 0.00 0.00 57.90 57.90 3ea1 n TYR 275 Cb 0.56 -2.94 -0.03 0.00 -0.02 0.00 0.00 39.34 36.91 3ea1 n TYR 275 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3ea1 s ILE 276 N -3.28 3.88 0.00 -0.72 2.07 -1.26 -4.91 121.20 116.98 3ea1 s ILE 276 Ca 0.27 1.18 0.00 0.00 -1.41 0.00 0.00 60.65 60.69 3ea1 s ILE 276 Cb -0.14 -3.76 0.00 0.00 0.13 0.00 0.00 42.46 38.69 3ea1 s ILE 276 CO 0.92 -0.04 0.00 -0.46 -1.91 0.00 0.00 174.94 173.44 3ea1 n ASN 277 N 5.96 0.00 -0.61 4.50 0.23 -1.26 -4.76 115.26 119.32 3ea1 n ASN 277 Ca 0.14 -0.85 0.06 0.00 -0.53 0.00 0.00 54.58 53.40 3ea1 n ASN 277 Cb 0.44 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.33 3ea1 n ASN 277 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ea1 n GLU 278 N 0.00 1.46 0.08 -3.83 1.02 -1.26 -4.77 120.64 113.34 3ea1 n GLU 278 Ca 0.00 -3.16 -0.23 0.00 -0.02 0.00 0.00 57.16 53.75 3ea1 n GLU 278 Cb 0.00 -1.51 -0.15 0.00 -0.02 0.00 0.00 31.44 29.76 3ea1 n GLU 278 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ea1 h LYS 279 N 0.92 0.40 -5.97 3.49 3.64 -1.97 -3.47 116.57 113.62 3ea1 h LYS 279 Ca -0.01 -0.68 -0.68 0.00 -1.27 0.00 0.00 60.65 58.01 3ea1 h LYS 279 Cb 1.05 0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 32.98 3ea1 h LYS 279 CO 0.01 1.33 -0.62 -1.58 -2.27 0.00 0.00 179.45 176.31 3ea1 s TRP 280 N -2.53 3.16 0.01 1.91 0.51 -1.26 -5.12 118.94 115.63 3ea1 s TRP 280 Ca -0.14 0.19 0.08 0.00 -2.12 0.00 0.00 56.10 54.11 3ea1 s TRP 280 Cb 0.04 -1.79 -0.02 0.00 -0.81 0.00 0.00 33.47 30.88 3ea1 s TRP 280 CO 0.87 0.46 -0.25 0.45 -0.51 0.00 0.00 176.95 177.97 3ea1 s SER 281 N -0.87 2.93 0.85 2.95 0.15 -1.26 -3.73 113.70 114.73 3ea1 s SER 281 Ca 0.13 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 3ea1 s SER 281 Cb -0.11 -0.29 0.10 0.00 -1.71 0.00 0.00 66.02 64.00 3ea1 s SER 281 CO 0.02 0.27 1.10 -2.84 1.20 0.00 0.00 173.24 172.99 3ea1 s PRO 282 N -0.89 1.63 -0.24 5.44 0.02 -1.26 -4.85 135.00 134.85 3ea1 s PRO 282 Ca 0.10 1.08 -0.23 0.00 0.02 0.00 0.00 61.00 61.96 3ea1 s PRO 282 Cb -0.10 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 3ea1 s PRO 282 CO 0.00 -2.05 0.76 -0.51 -0.33 0.00 0.00 177.00 174.87 3ea1 s LEU 283 N -6.16 4.08 0.09 -5.54 1.43 -1.24 -4.37 118.68 106.97 3ea1 s LEU 283 Ca 0.63 0.94 -0.34 0.00 -1.03 0.00 0.00 54.13 54.33 3ea1 s LEU 283 Cb -0.18 -3.08 -0.16 0.00 0.03 0.00 0.00 46.19 42.80 3ea1 s LEU 283 CO 0.57 -0.46 1.58 0.25 0.23 0.00 0.00 176.35 178.53 3ea1 h LEU 284 N 9.00 -1.22 -1.69 1.79 5.85 -1.86 -1.93 115.31 125.26 3ea1 h LEU 284 Ca -0.25 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.65 3ea1 h LEU 284 Cb 1.11 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 3ea1 h LEU 284 CO 0.84 -0.61 0.35 0.10 -0.34 0.00 0.00 178.44 178.77 3ea1 h TYR 285 N -0.92 0.37 -0.24 1.25 -0.00 -1.94 -0.78 116.97 114.71 3ea1 h TYR 285 Ca -0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.64 3ea1 h TYR 285 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 36.73 37.41 3ea1 h TYR 285 CO -0.22 0.19 -0.04 0.37 -0.00 0.00 0.00 178.16 178.45 3ea1 h GLN 286 N 0.36 0.46 -0.21 0.10 4.15 -1.81 -1.37 115.11 116.78 3ea1 h GLN 286 Ca 0.23 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3ea1 h GLN 286 Cb 0.44 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3ea1 h GLN 286 CO -0.06 0.67 -0.20 0.93 -1.93 0.00 0.00 178.83 178.25 3ea1 h GLU 287 N 0.20 0.37 -0.51 1.69 4.39 -0.58 -0.88 114.58 119.25 3ea1 h GLU 287 Ca 0.06 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3ea1 h GLU 287 Cb 0.50 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3ea1 h GLU 287 CO 0.02 0.56 0.09 0.28 -1.16 0.00 0.00 179.01 178.81 3ea1 h VAL 288 N 0.34 1.25 -0.46 3.13 2.07 -1.00 -2.41 116.25 119.16 3ea1 h VAL 288 Ca 0.06 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3ea1 h VAL 288 Cb 0.54 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ea1 h VAL 288 CO 0.04 0.33 0.04 0.40 0.02 0.00 0.00 177.57 178.39 3ea1 h ILE 289 N 0.73 1.26 0.00 4.57 2.04 -0.78 -2.74 117.51 122.58 3ea1 h ILE 289 Ca 0.16 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3ea1 h ILE 289 Cb 0.38 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3ea1 h ILE 289 CO 0.01 0.34 -0.01 0.03 0.00 0.00 0.00 178.15 178.52 3ea1 h ARG 290 N 0.65 0.00 0.00 2.37 3.08 -1.00 -2.32 114.38 117.17 3ea1 h ARG 290 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3ea1 h ARG 290 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ea1 h ARG 290 CO 0.02 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3ea1 n ALA 291 N -2.10 2.15 -0.03 0.04 0.00 -0.92 -2.07 120.51 117.58 3ea1 n ALA 291 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3ea1 n ALA 291 Cb 0.16 -1.26 0.29 0.00 0.00 0.00 0.00 19.45 18.63 3ea1 n ALA 291 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ea1 n ASN 292 N -0.96 3.51 -0.28 0.00 3.02 -0.87 -3.84 115.26 115.83 3ea1 n ASN 292 Ca 0.12 -1.99 0.15 0.00 -0.03 0.00 0.00 54.58 52.83 3ea1 n ASN 292 Cb 0.06 -0.41 0.41 0.00 -0.61 0.00 0.00 39.78 39.23 3ea1 n ASN 292 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3ea1 h LYS 293 N 3.94 0.59 0.00 3.52 2.10 -1.65 -1.25 116.57 123.82 3ea1 h LYS 293 Ca 0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 3ea1 h LYS 293 Cb 0.90 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3ea1 h LYS 293 CO 0.00 0.39 -0.09 0.66 -2.00 0.00 0.00 179.45 178.40 3ea1 h SER 294 N 0.60 0.00 1.32 7.07 4.64 -1.87 -3.08 113.55 122.24 3ea1 h SER 294 Ca 0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.76 3ea1 h SER 294 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3ea1 h SER 294 CO -0.24 0.09 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.52 3ea1 h LEU 295 N 0.00 0.00 0.00 5.97 3.38 -1.56 -3.53 115.31 119.57 3ea1 h LEU 295 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ea1 h LEU 295 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ea1 h LEU 295 CO 0.01 0.22 0.00 -0.38 0.09 0.00 0.00 178.44 178.39