#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea1 s SER 2 N 0.00 3.88 0.15 0.00 0.01 -1.26 -5.01 113.70 111.46 3ea1 s SER 2 Ca 0.00 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.81 3ea1 s SER 2 Cb 0.00 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3ea1 s SER 2 CO 0.00 -0.02 -0.14 -0.94 0.41 0.00 0.00 173.24 172.55 3ea1 s SER 3 N 1.40 2.21 0.51 2.44 1.04 -1.26 -5.04 113.70 115.00 3ea1 s SER 3 Ca 0.05 -0.89 0.22 0.00 0.48 0.00 0.00 55.95 55.81 3ea1 s SER 3 Cb -0.14 -0.09 1.37 0.00 0.10 0.00 0.00 66.02 67.26 3ea1 s SER 3 CO -0.07 -0.15 2.10 -0.37 0.98 0.00 0.00 173.24 175.73 3ea1 h VAL 4 N 3.18 0.80 0.00 5.02 -1.51 -1.96 -2.20 116.25 119.58 3ea1 h VAL 4 Ca -0.39 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3ea1 h VAL 4 Cb 1.20 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3ea1 h VAL 4 CO 0.55 0.09 0.00 0.78 -1.23 0.00 0.00 177.57 177.76 3ea1 h ASN 5 N 0.00 0.00 0.47 4.19 2.35 -2.00 -2.48 115.58 118.11 3ea1 h ASN 5 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ea1 h ASN 5 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3ea1 h ASN 5 CO 0.01 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.17 3ea1 n GLU 6 N -2.62 0.05 0.05 0.81 1.02 -0.83 -1.06 120.64 118.07 3ea1 n GLU 6 Ca 0.02 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.62 3ea1 n GLU 6 Cb 0.30 -1.61 0.47 0.00 -0.02 0.00 0.00 31.44 30.58 3ea1 n GLU 6 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ea1 n LEU 7 N -1.71 0.35 -0.04 -4.62 4.77 -0.93 -2.92 117.00 111.89 3ea1 n LEU 7 Ca 0.03 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3ea1 n LEU 7 Cb 0.16 -0.47 0.63 0.00 -2.33 0.00 0.00 43.42 41.41 3ea1 n LEU 7 CO 0.13 -0.21 0.90 -0.62 -1.33 0.00 0.00 177.39 176.26 3ea1 n GLU 8 N -1.85 0.39 -3.00 3.23 -0.58 -0.22 -4.49 120.64 114.12 3ea1 n GLU 8 Ca 0.05 -0.08 -0.44 0.00 -0.42 0.00 0.00 57.16 56.26 3ea1 n GLU 8 Cb 0.30 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.66 6.34 0.56 1.62 3.84 -1.15 -4.89 114.94 118.60 3ea1 s ASN 9 Ca 0.24 -1.56 0.31 0.00 0.21 0.00 0.00 52.86 52.07 3ea1 s ASN 9 Cb 0.20 -2.35 1.71 0.00 -0.55 0.00 0.00 41.25 40.25 3ea1 s ASN 9 CO 0.50 -1.16 1.95 -0.50 -2.79 0.00 0.00 177.10 175.10 3ea1 h TRP 10 N 9.11 0.00 -0.00 0.43 -0.00 -1.82 0.93 115.95 124.59 3ea1 h TRP 10 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.74 3ea1 h TRP 10 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.22 3ea1 h TRP 10 CO 0.98 0.00 -0.68 0.43 -0.00 0.00 0.00 178.44 179.16 3ea1 n SER 11 N -2.74 0.69 -1.44 -3.49 7.64 -1.26 -3.08 113.62 109.95 3ea1 n SER 11 Ca -0.02 -0.53 0.03 0.00 1.01 0.00 0.00 58.87 59.35 3ea1 n SER 11 Cb 0.21 0.53 0.01 0.00 -1.01 0.00 0.00 64.21 63.95 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 -1.49 0.00 0.29 1.43 5.02 -0.20 -4.83 118.16 118.38 3ea1 n LYS 12 Ca 0.05 -1.88 0.17 0.00 -2.02 0.00 0.00 58.31 54.62 3ea1 n LYS 12 Cb 0.33 0.05 0.89 0.00 -0.02 0.00 0.00 35.03 36.29 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 0.88 0.00 0.00 2.13 5.08 -1.09 -2.21 115.95 120.74 3ea1 h TRP 13 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 3ea1 h TRP 13 Cb 1.84 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.00 3ea1 h TRP 13 CO 0.14 0.05 -0.01 -1.33 -1.28 0.00 0.00 178.44 176.00 3ea1 n MET 14 N -3.41 0.14 -0.20 0.12 2.81 -1.26 -4.02 117.12 111.30 3ea1 n MET 14 Ca -0.02 0.11 -0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3ea1 n MET 14 Cb 0.18 -1.66 0.11 0.00 -0.71 0.00 0.00 33.22 31.13 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 0.37 0.00 0.03 4.15 -1.60 -2.25 115.11 115.80 3ea1 h GLN 15 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ea1 h GLN 15 Cb 0.63 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3ea1 h GLN 15 CO 0.00 0.24 0.00 -0.35 -1.93 0.00 0.00 178.83 176.79 3ea1 n PRO 16 N -5.02 0.08 -2.80 -2.39 -0.04 -1.26 -4.80 135.00 118.78 3ea1 n PRO 16 Ca 0.09 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.25 3ea1 n PRO 16 Cb 0.28 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.89 4.37 0.55 0.52 1.01 -0.85 -4.68 121.20 119.23 3ea1 s ILE 17 Ca 0.13 1.97 -0.21 0.00 0.00 0.00 0.00 60.65 62.54 3ea1 s ILE 17 Cb 0.15 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 3ea1 s ILE 17 CO 0.38 0.41 1.30 -2.65 0.00 0.00 0.00 174.94 174.39 3ea1 n PRO 18 N 2.20 1.55 0.11 2.79 -0.02 -1.26 -4.91 135.00 135.46 3ea1 n PRO 18 Ca -0.01 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3ea1 n PRO 18 Cb 0.48 -2.51 0.55 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.27 0.20 0.13 2.55 5.19 -1.94 -2.79 116.42 121.03 3ea1 h ASP 19 Ca -0.50 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 3ea1 h ASP 19 Cb 1.31 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3ea1 h ASP 19 CO 0.56 0.14 0.00 -0.46 -3.12 0.00 0.00 179.24 176.36 3ea1 n ASN 20 N -4.50 0.00 -4.69 6.45 0.23 -1.26 -0.67 115.26 110.82 3ea1 n ASN 20 Ca 0.02 -0.78 -0.42 0.00 -0.53 0.00 0.00 54.58 52.86 3ea1 n ASN 20 Cb 0.16 -0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3ea1 n ASN 20 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3ea1 s ILE 21 N -2.13 4.79 0.41 1.53 -1.09 -1.05 -4.85 121.20 118.81 3ea1 s ILE 21 Ca 0.43 2.05 -0.26 0.00 -2.23 0.00 0.00 60.65 60.63 3ea1 s ILE 21 Cb 0.21 -4.31 -0.09 0.00 -1.58 0.00 0.00 42.46 36.69 3ea1 s ILE 21 CO 0.38 0.02 1.30 -2.84 -1.23 0.00 0.00 174.94 172.57 3ea1 s PRO 22 N 1.90 3.93 0.39 2.79 0.02 -1.26 -1.37 135.00 141.40 3ea1 s PRO 22 Ca 0.49 2.14 0.10 0.00 0.02 0.00 0.00 61.00 63.75 3ea1 s PRO 22 Cb -0.19 -2.72 0.89 0.00 0.02 0.00 0.00 34.50 32.50 3ea1 s PRO 22 CO 0.19 -0.52 1.95 -0.07 -0.33 0.00 0.00 177.00 178.22 3ea1 h LEU 23 N 2.61 0.53 -1.61 -5.54 3.38 -1.34 -0.76 115.31 112.58 3ea1 h LEU 23 Ca -0.50 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.59 3ea1 h LEU 23 Cb 1.25 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 3ea1 h LEU 23 CO 0.62 0.31 0.42 0.00 0.09 0.00 0.00 178.44 179.88 3ea1 h ALA 24 N 1.64 2.00 0.01 1.53 0.00 -1.86 -2.10 119.26 120.48 3ea1 h ALA 24 Ca 0.33 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 3ea1 h ALA 24 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ea1 h ALA 24 CO -0.11 -0.14 -0.90 -0.09 0.00 0.00 0.00 179.25 178.00 3ea1 h ARG 25 N 0.44 0.24 -6.98 0.00 9.65 -1.33 -3.42 114.38 112.98 3ea1 h ARG 25 Ca 0.29 -0.27 -0.53 0.00 -1.10 0.00 0.00 59.98 58.38 3ea1 h ARG 25 Cb 0.56 0.08 0.09 0.00 -1.39 0.00 0.00 29.97 29.31 3ea1 h ARG 25 CO -0.08 0.99 0.59 0.42 2.80 0.00 0.00 179.97 184.69 3ea1 s ILE 26 N -3.19 2.56 -0.33 1.20 1.01 -0.79 -4.86 121.20 116.79 3ea1 s ILE 26 Ca -0.03 0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 3ea1 s ILE 26 Cb 0.10 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 3ea1 s ILE 26 CO 0.84 0.04 0.61 -0.44 0.00 0.00 0.00 174.94 175.99 3ea1 s SER 27 N -0.88 6.43 -0.08 3.58 0.01 -1.26 -4.57 113.70 116.93 3ea1 s SER 27 Ca 0.61 0.23 0.03 0.00 1.31 0.00 0.00 55.95 58.13 3ea1 s SER 27 Cb -0.37 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.55 3ea1 s SER 27 CO 0.47 -0.53 -0.18 -0.63 0.41 0.00 0.00 173.24 172.78 3ea1 s ILE 28 N 2.62 1.55 0.33 1.44 1.01 -0.71 -4.48 121.20 122.95 3ea1 s ILE 28 Ca 0.24 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.90 3ea1 s ILE 28 Cb -0.15 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 40.86 3ea1 s ILE 28 CO 0.13 0.45 0.95 -2.84 0.00 0.00 0.00 174.94 173.63 3ea1 s PRO 29 N 0.47 4.56 0.14 2.79 0.02 -1.26 -1.44 135.00 140.27 3ea1 s PRO 29 Ca -0.15 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.19 3ea1 s PRO 29 Cb -0.16 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 3ea1 s PRO 29 CO 0.06 0.25 0.05 0.20 -0.33 0.00 0.00 177.00 177.23 3ea1 s GLY 30 N -1.63 1.03 -0.10 0.52 0.00 -0.09 -1.35 107.32 105.69 3ea1 s GLY 30 Ca 0.51 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.76 3ea1 s GLY 30 CO 0.24 -1.39 -0.18 -0.51 0.00 0.00 0.00 173.10 171.25 3ea1 s THR 31 N -3.99 2.59 0.10 0.90 -4.23 -0.41 -0.88 115.64 109.72 3ea1 s THR 31 Ca 0.24 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.63 3ea1 s THR 31 Cb 0.07 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 3ea1 s THR 31 CO 0.02 0.55 0.89 -2.28 -0.54 0.00 0.00 174.62 173.26 3ea1 s HIS 32 N 0.17 3.81 -1.29 3.99 2.46 0.05 -2.38 115.29 122.10 3ea1 s HIS 32 Ca -0.10 1.69 -0.19 0.00 0.47 0.00 0.00 55.06 56.93 3ea1 s HIS 32 Cb -0.16 -2.96 0.01 0.00 -0.13 0.00 0.00 32.58 29.35 3ea1 s HIS 32 CO 0.06 0.26 0.55 -3.47 -2.47 0.00 0.00 174.74 169.68 3ea1 n ASP 33 N 2.63 -2.89 -0.35 9.88 -0.08 -1.24 -4.74 116.55 119.77 3ea1 n ASP 33 Ca 0.00 -1.16 0.27 0.00 -1.51 0.00 0.00 54.79 52.39 3ea1 n ASP 33 Cb 0.49 -2.40 0.57 0.00 2.34 0.00 0.00 41.12 42.12 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 -2.15 0.34 -0.45 1.67 0.02 -1.57 -3.02 113.55 108.38 3ea1 h SER 34 Ca -0.68 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.23 3ea1 h SER 34 Cb 1.39 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.89 3ea1 h SER 34 CO 0.56 0.02 0.15 0.61 -1.14 0.00 0.00 176.83 177.04 3ea1 n GLY 35 N -1.53 2.84 0.89 -3.77 0.00 -1.26 -4.33 105.19 98.03 3ea1 n GLY 35 Ca 0.28 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 0.04 0.63 0.81 2.61 -2.24 -1.14 -4.47 114.28 110.53 3ea1 n THR 36 Ca 0.25 -0.64 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 3ea1 n THR 36 Cb 0.98 0.35 0.42 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.92 0.00 0.98 4.78 -1.74 -1.24 -2.89 117.46 118.27 3ea1 n PHE 37 Ca 0.16 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.16 3ea1 n PHE 37 Cb 0.41 -0.24 -0.03 0.00 1.52 0.00 0.00 39.48 41.14 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 -1.24 1.03 -1.72 3.97 5.02 -1.26 -4.78 118.16 119.17 3ea1 n LYS 38 Ca 0.08 -0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 55.15 3ea1 n LYS 38 Cb 0.12 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3ea1 n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ea1 n LEU 39 N -0.31 4.07 -0.05 -0.35 4.77 -1.14 -4.89 117.00 119.10 3ea1 n LEU 39 Ca 0.08 1.07 -0.09 0.00 -0.03 0.00 0.00 56.01 57.04 3ea1 n LEU 39 Cb 0.44 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.91 3ea1 n LEU 39 CO 0.31 0.19 -0.83 0.00 -1.33 0.00 0.00 177.39 175.72 3ea1 n GLN 40 N 3.70 0.22 -1.62 3.23 6.02 -1.26 -4.89 117.38 122.77 3ea1 n GLN 40 Ca 0.15 0.08 -0.51 0.00 -0.01 0.00 0.00 57.00 56.71 3ea1 n GLN 40 Cb 0.35 -0.95 -0.06 0.00 1.02 0.00 0.00 30.24 30.60 3ea1 n GLN 40 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3ea1 n ASN 41 N -3.25 2.81 -0.34 1.08 2.85 -1.26 -4.82 115.26 112.33 3ea1 n ASN 41 Ca -0.19 0.82 0.25 0.00 -0.11 0.00 0.00 54.58 55.35 3ea1 n ASN 41 Cb 0.65 -1.29 0.52 0.00 1.24 0.00 0.00 39.78 40.91 3ea1 n ASN 41 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ea1 h PRO 42 N 9.78 0.34 -0.21 1.20 0.11 -1.99 0.16 132.00 141.40 3ea1 h PRO 42 Ca -0.42 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 3ea1 h PRO 42 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ea1 h PRO 42 CO 0.97 0.23 -0.56 0.82 -0.21 0.00 0.00 178.00 179.25 3ea1 h ILE 43 N 0.35 1.31 -0.19 4.15 2.04 -2.00 -1.87 117.51 121.30 3ea1 h ILE 43 Ca 0.64 -1.80 -0.16 0.00 1.00 0.00 0.00 64.86 64.54 3ea1 h ILE 43 Cb 1.66 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 3ea1 h ILE 43 CO -0.33 0.57 -0.55 0.11 0.00 0.00 0.00 178.15 177.94 3ea1 h LYS 44 N 0.49 0.57 0.03 2.37 1.57 -1.17 -3.14 116.57 117.29 3ea1 h LYS 44 Ca 0.01 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3ea1 h LYS 44 Cb 1.13 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ea1 h LYS 44 CO 0.11 0.97 -0.01 1.96 -0.57 0.00 0.00 179.45 181.91 3ea1 h GLN 45 N 0.44 -0.03 -0.68 3.15 4.20 -0.79 0.20 115.11 121.60 3ea1 h GLN 45 Ca 0.01 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.79 3ea1 h GLN 45 Cb 1.10 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 3ea1 h GLN 45 CO 0.10 0.28 0.45 -0.24 -0.67 0.00 0.00 178.83 178.75 3ea1 h VAL 46 N -0.35 0.98 0.18 -0.54 3.04 -1.42 -0.39 116.25 117.75 3ea1 h VAL 46 Ca -0.00 -0.22 -0.35 0.00 -1.01 0.00 0.00 66.70 65.12 3ea1 h VAL 46 Cb 0.33 0.29 0.01 0.00 -2.01 0.00 0.00 31.29 29.90 3ea1 h VAL 46 CO 0.01 0.12 -1.75 -0.50 -1.01 0.00 0.00 177.57 174.43 3ea1 h TRP 47 N 0.64 0.68 0.00 3.17 4.06 -1.49 -3.40 115.95 119.61 3ea1 h TRP 47 Ca 0.30 -0.49 0.00 0.00 2.06 0.00 0.00 58.89 60.75 3ea1 h TRP 47 Cb 0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3ea1 h TRP 47 CO -0.00 1.69 0.00 0.41 -3.56 0.00 0.00 178.44 176.97 3ea1 n GLY 48 N 1.87 0.05 3.72 1.49 0.00 0.71 -4.51 105.19 108.53 3ea1 n GLY 48 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.31 4.54 0.00 1.61 0.00 -0.17 -4.89 119.30 120.09 3ea1 s MET 49 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 55.69 57.32 3ea1 s MET 49 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 34.83 31.47 3ea1 s MET 49 CO 0.00 -0.05 0.05 0.25 0.00 0.00 0.00 175.02 175.26 3ea1 n THR 50 N 3.32 0.00 -3.90 10.11 -2.24 -1.26 -4.62 114.28 115.69 3ea1 n THR 50 Ca 0.06 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 3ea1 n THR 50 Cb 0.48 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.40 0.18 -0.05 -0.78 -1.52 -1.26 0.10 119.66 115.93 3ea1 s GLN 51 Ca 0.00 -0.21 0.20 0.00 -1.95 0.00 0.00 55.36 53.41 3ea1 s GLN 51 Cb 0.00 0.07 -0.28 0.00 -0.22 0.00 0.00 33.01 32.59 3ea1 s GLN 51 CO 0.00 -0.03 0.43 0.39 -0.25 0.00 0.00 175.29 175.83 3ea1 n GLU 52 N 2.42 0.66 -4.43 2.91 1.02 -1.26 -3.70 120.64 118.26 3ea1 n GLU 52 Ca -0.17 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.64 3ea1 n GLU 52 Cb 0.58 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.17 2.38 1.16 -0.32 2.02 -1.26 -4.91 117.35 113.24 3ea1 s TYR 53 Ca -0.08 -0.31 -0.18 0.00 -0.37 0.00 0.00 57.07 56.13 3ea1 s TYR 53 Cb 0.11 -1.04 0.27 0.00 -0.40 0.00 0.00 41.96 40.90 3ea1 s TYR 53 CO 0.87 0.69 1.14 0.16 -1.57 0.00 0.00 175.55 176.84 3ea1 s ASP 54 N -3.50 1.32 0.22 2.29 1.47 -1.26 -4.74 116.67 112.47 3ea1 s ASP 54 Ca 0.30 0.59 -0.08 0.00 1.18 0.00 0.00 52.55 54.54 3ea1 s ASP 54 Cb -0.05 -0.81 0.29 0.00 -0.34 0.00 0.00 42.92 42.00 3ea1 s ASP 54 CO 0.16 -3.87 1.80 -0.26 0.68 0.00 0.00 175.17 173.68 3ea1 h PHE 55 N -2.41 0.70 -0.34 2.11 0.04 -2.00 -2.02 116.94 113.02 3ea1 h PHE 55 Ca -0.45 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.26 3ea1 h PHE 55 Cb 1.29 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3ea1 h PHE 55 CO -1.91 0.31 -0.17 -0.09 -0.60 0.00 0.00 178.31 175.86 3ea1 h ARG 56 N 0.69 0.61 -0.17 1.51 9.65 -1.93 -1.00 114.38 123.75 3ea1 h ARG 56 Ca 0.33 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3ea1 h ARG 56 Cb 0.25 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3ea1 h ARG 56 CO -0.21 0.75 0.09 -0.92 2.80 0.00 0.00 179.97 182.48 3ea1 h TYR 57 N 0.55 0.23 -0.30 2.20 5.03 -1.79 0.83 116.97 123.72 3ea1 h TYR 57 Ca 0.09 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.45 3ea1 h TYR 57 Cb 0.60 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.76 3ea1 h TYR 57 CO 0.02 0.22 -0.00 1.96 -1.32 0.00 0.00 178.16 179.04 3ea1 h GLN 58 N 0.17 0.08 -0.53 1.82 4.20 -0.99 -1.72 115.11 118.15 3ea1 h GLN 58 Ca 0.06 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3ea1 h GLN 58 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3ea1 h GLN 58 CO -0.01 0.05 0.13 0.52 -0.67 0.00 0.00 178.83 178.85 3ea1 h MET 59 N 0.08 0.85 0.00 1.46 2.86 -0.95 -1.88 114.93 117.35 3ea1 h MET 59 Ca 0.14 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ea1 h MET 59 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ea1 h MET 59 CO -0.25 0.81 0.00 -0.44 1.06 0.00 0.00 176.91 178.09 3ea1 h ASP 60 N 0.74 0.00 -0.15 1.22 3.32 -0.49 -1.41 116.42 119.65 3ea1 h ASP 60 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ea1 h ASP 60 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ea1 h ASP 60 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 3ea1 n HIS 61 N -2.54 0.18 0.00 4.55 8.25 -0.68 -4.05 115.22 120.93 3ea1 n HIS 61 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3ea1 n HIS 61 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 1.32 1.43 3.74 -1.41 0.00 -0.53 -4.81 105.19 104.92 3ea1 n GLY 62 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.10 3.65 0.00 4.61 0.00 -0.76 -4.52 121.76 122.64 3ea1 s ALA 63 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3ea1 s ALA 63 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ea1 s ALA 63 CO 0.00 -0.72 0.00 0.54 0.00 0.00 0.00 175.76 175.58 3ea1 n ARG 64 N 2.86 4.64 -4.78 0.00 5.12 -0.46 -4.23 116.66 119.81 3ea1 n ARG 64 Ca 0.09 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.68 3ea1 n ARG 64 Cb 0.40 -0.34 -0.14 0.00 -1.16 0.00 0.00 32.46 31.22 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 -0.68 3.08 -0.07 0.55 1.01 -1.10 0.11 121.20 124.11 3ea1 s ILE 65 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3ea1 s ILE 65 Cb 0.00 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.19 3ea1 s ILE 65 CO 0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 174.94 174.95 3ea1 s PHE 66 N 0.20 1.77 -0.68 3.97 0.40 0.04 -1.29 117.98 122.39 3ea1 s PHE 66 Ca -0.08 -0.65 -0.19 0.00 -0.60 0.00 0.00 56.93 55.41 3ea1 s PHE 66 Cb -0.15 -1.24 0.11 0.00 0.51 0.00 0.00 43.02 42.25 3ea1 s PHE 66 CO 0.05 -0.29 0.84 0.34 0.70 0.00 0.00 175.22 176.85 3ea1 s ASP 67 N 0.47 6.30 -0.26 1.36 2.15 -1.00 -0.63 116.67 125.06 3ea1 s ASP 67 Ca -0.14 -1.55 -0.10 0.00 0.43 0.00 0.00 52.55 51.19 3ea1 s ASP 67 Cb -0.16 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 3ea1 s ASP 67 CO 0.05 -1.13 0.16 -0.63 -0.17 0.00 0.00 175.17 173.45 3ea1 s ILE 68 N 2.77 5.14 -0.22 4.11 -1.09 -0.11 -2.34 121.20 129.45 3ea1 s ILE 68 Ca 0.18 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.69 3ea1 s ILE 68 Cb -0.18 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 3ea1 s ILE 68 CO 0.03 0.29 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.82 3ea1 s ARG 69 N 1.52 3.13 0.39 2.79 1.81 -1.26 -1.19 118.95 126.13 3ea1 s ARG 69 Ca 0.07 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.34 3ea1 s ARG 69 Cb -0.15 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 3ea1 s ARG 69 CO 0.08 -0.26 0.09 0.20 -0.68 0.00 0.00 175.30 174.73 3ea1 s GLY 70 N 1.39 2.46 -0.01 -3.53 0.00 -0.13 -1.16 107.32 106.34 3ea1 s GLY 70 Ca 0.04 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.31 3ea1 s GLY 70 CO -0.06 -1.87 -0.03 -1.60 0.00 0.00 0.00 173.10 169.54 3ea1 s ARG 71 N -3.80 0.35 0.10 2.90 3.52 0.10 -0.17 118.95 121.95 3ea1 s ARG 71 Ca 0.27 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 3ea1 s ARG 71 Cb 0.05 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 3ea1 s ARG 71 CO 0.14 0.03 1.00 -1.17 -0.81 0.00 0.00 175.30 174.48 3ea1 s LEU 72 N 0.22 4.46 0.50 -0.88 2.96 -1.26 -1.37 118.68 123.30 3ea1 s LEU 72 Ca -0.02 1.82 0.07 0.00 -0.22 0.00 0.00 54.13 55.78 3ea1 s LEU 72 Cb -0.05 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.07 3ea1 s LEU 72 CO -0.00 -0.15 0.45 0.42 -1.32 0.00 0.00 176.35 175.75 3ea1 s THR 73 N 0.23 2.14 -0.68 3.68 -4.23 -0.32 -0.93 115.64 115.53 3ea1 s THR 73 Ca 0.49 -1.36 0.22 0.00 -1.18 0.00 0.00 61.69 59.87 3ea1 s THR 73 Cb -0.24 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.33 3ea1 s THR 73 CO 0.30 0.00 1.68 -0.90 -0.54 0.00 0.00 174.62 175.16 3ea1 n ASP 74 N -1.75 0.48 -0.40 3.99 5.75 -1.26 -2.25 116.55 121.11 3ea1 n ASP 74 Ca 0.03 0.60 0.14 0.00 -0.01 0.00 0.00 54.79 55.55 3ea1 n ASP 74 Cb 0.63 -0.71 0.57 0.00 -1.03 0.00 0.00 41.12 40.58 3ea1 n ASP 74 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ea1 n ASP 75 N -2.01 1.25 -2.31 -1.12 10.43 -1.26 -4.49 116.55 117.04 3ea1 n ASP 75 Ca 0.03 -1.45 -0.15 0.00 2.57 0.00 0.00 54.79 55.80 3ea1 n ASP 75 Cb 0.26 -0.01 0.04 0.00 1.84 0.00 0.00 41.12 43.24 3ea1 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ea1 n ASN 76 N -0.01 -4.69 -4.45 -2.24 3.02 -0.95 -5.02 115.26 100.91 3ea1 n ASN 76 Ca 0.19 -0.29 -0.22 0.00 -0.03 0.00 0.00 54.58 54.24 3ea1 n ASN 76 Cb 0.31 -3.37 -0.11 0.00 -0.61 0.00 0.00 39.78 36.00 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 -3.11 1.22 -0.13 3.41 -4.23 -1.26 -4.96 115.64 106.57 3ea1 s THR 77 Ca 0.31 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3ea1 s THR 77 Cb -0.14 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.93 3ea1 s THR 77 CO 0.39 -0.02 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.61 3ea1 s ILE 78 N -3.28 1.93 0.21 2.99 1.01 -1.26 -1.17 121.20 121.64 3ea1 s ILE 78 Ca 0.36 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3ea1 s ILE 78 Cb 0.09 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3ea1 s ILE 78 CO 0.15 0.53 -0.08 0.68 0.00 0.00 0.00 174.94 176.22 3ea1 s VAL 79 N 0.83 3.21 0.15 2.92 -7.23 -0.47 -1.74 120.40 118.06 3ea1 s VAL 79 Ca -0.08 -1.80 -0.26 0.00 -1.81 0.00 0.00 61.98 58.04 3ea1 s VAL 79 Cb -0.16 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 3ea1 s VAL 79 CO -0.01 -0.21 0.81 -0.76 -0.31 0.00 0.00 175.10 174.62 3ea1 s LEU 80 N -3.14 4.57 0.18 1.32 1.43 -0.04 0.02 118.68 123.02 3ea1 s LEU 80 Ca 0.27 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3ea1 s LEU 80 Cb -0.08 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 3ea1 s LEU 80 CO 0.17 0.14 0.04 -1.00 0.23 0.00 0.00 176.35 175.93 3ea1 s HIS 81 N -0.84 1.20 -0.30 0.29 3.76 -0.31 -1.18 115.29 117.91 3ea1 s HIS 81 Ca 0.38 -1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 54.14 3ea1 s HIS 81 Cb -0.23 -0.68 0.11 0.00 1.11 0.00 0.00 32.58 32.89 3ea1 s HIS 81 CO 0.27 -0.33 0.14 -1.58 -0.85 0.00 0.00 174.74 172.38 3ea1 s HIS 82 N -3.79 0.66 0.00 1.40 2.46 -0.53 -4.67 115.29 110.82 3ea1 s HIS 82 Ca 0.28 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 54.65 3ea1 s HIS 82 Cb 0.07 -1.08 0.00 0.00 -0.13 0.00 0.00 32.58 31.44 3ea1 s HIS 82 CO 0.06 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 3ea1 n GLY 83 N 5.00 2.39 0.06 1.59 0.00 -1.26 -1.89 105.19 111.08 3ea1 n GLY 83 Ca -0.03 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 13.45 0.85 -3.05 1.61 -0.04 -1.26 -4.59 135.00 141.97 3ea1 n PRO 84 Ca 0.00 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 3ea1 n PRO 84 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.23 4.11 0.09 1.53 2.01 -0.79 -5.04 118.68 118.36 3ea1 s LEU 85 Ca 0.39 0.87 -0.31 0.00 0.01 0.00 0.00 54.13 55.09 3ea1 s LEU 85 Cb 0.21 -2.97 -0.06 0.00 0.01 0.00 0.00 46.19 43.38 3ea1 s LEU 85 CO 0.41 -0.36 1.23 -0.47 1.01 0.00 0.00 176.35 178.17 3ea1 s TYR 86 N 2.28 3.41 -2.31 0.29 5.04 -1.26 -1.45 117.35 123.34 3ea1 s TYR 86 Ca 0.30 1.27 0.23 0.00 -2.44 0.00 0.00 57.07 56.43 3ea1 s TYR 86 Cb -0.16 -3.46 0.87 0.00 0.35 0.00 0.00 41.96 39.56 3ea1 s TYR 86 CO 0.09 -1.42 1.62 1.28 -1.34 0.00 0.00 175.55 175.78 3ea1 n LEU 87 N 3.67 1.51 -1.89 6.97 4.77 -0.32 -4.91 117.00 126.79 3ea1 n LEU 87 Ca 0.08 -0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 3ea1 n LEU 87 Cb 0.45 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3ea1 n LEU 87 CO 0.56 0.30 -0.22 -1.22 -1.33 0.00 0.00 177.39 175.48 3ea1 n TYR 88 N 0.20 -0.69 -4.18 -1.77 4.02 -1.26 -4.61 117.16 108.87 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 0.32 -3.42 -0.14 0.00 -0.02 0.00 0.00 39.34 36.08 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 -2.84 0.50 0.35 -0.72 1.01 -1.26 -5.03 120.40 112.41 3ea1 s VAL 89 Ca 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3ea1 s VAL 89 Cb 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3ea1 s VAL 89 CO 0.00 0.05 0.05 0.42 0.00 0.00 0.00 175.10 175.62 3ea1 s THR 90 N -0.36 2.68 0.16 3.92 -4.23 -1.26 -0.86 115.64 115.68 3ea1 s THR 90 Ca 0.00 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 3ea1 s THR 90 Cb -0.04 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3ea1 s THR 90 CO -0.00 -0.18 1.61 0.25 -0.54 0.00 0.00 174.62 175.76 3ea1 h LEU 91 N 1.73 0.90 -1.37 4.79 5.85 -1.66 -2.37 115.31 123.17 3ea1 h LEU 91 Ca -0.43 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 3ea1 h LEU 91 Cb 1.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3ea1 h LEU 91 CO 0.67 0.98 0.33 0.45 -0.34 0.00 0.00 178.44 180.53 3ea1 h HIS 92 N 0.79 0.73 -0.43 1.25 3.86 -1.97 -1.20 115.15 118.17 3ea1 h HIS 92 Ca 0.15 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3ea1 h HIS 92 Cb 0.52 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 3ea1 h HIS 92 CO 0.04 0.49 0.27 1.49 0.86 0.00 0.00 177.93 181.08 3ea1 h GLU 93 N 0.77 0.58 -0.04 2.45 4.81 -1.83 0.72 114.58 122.05 3ea1 h GLU 93 Ca 0.20 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ea1 h GLU 93 Cb -0.02 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3ea1 h GLU 93 CO -0.04 0.42 0.01 0.35 -0.73 0.00 0.00 179.01 179.03 3ea1 h PHE 94 N 0.57 0.06 -0.80 0.92 3.57 -0.98 -2.12 116.94 118.16 3ea1 h PHE 94 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3ea1 h PHE 94 Cb -0.02 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3ea1 h PHE 94 CO -0.04 0.24 0.52 0.82 -2.23 0.00 0.00 178.31 177.62 3ea1 h ILE 95 N -0.13 1.15 -0.64 1.41 2.04 -1.00 -0.08 117.51 120.26 3ea1 h ILE 95 Ca 0.01 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 3ea1 h ILE 95 Cb 0.20 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3ea1 h ILE 95 CO -0.00 0.19 0.19 0.78 0.00 0.00 0.00 178.15 179.30 3ea1 h ASN 96 N 1.03 0.91 -0.15 1.72 2.35 -0.79 0.28 115.58 120.93 3ea1 h ASN 96 Ca 0.31 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 3ea1 h ASN 96 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3ea1 h ASN 96 CO -0.10 0.86 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.96 3ea1 h GLU 97 N 0.94 0.61 -0.46 0.81 4.39 -0.69 -1.75 114.58 118.44 3ea1 h GLU 97 Ca 0.21 -0.24 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 3ea1 h GLU 97 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3ea1 h GLU 97 CO -0.01 0.81 -0.26 0.00 -1.16 0.00 0.00 179.01 178.39 3ea1 h ALA 98 N 1.19 0.66 -0.62 3.43 0.00 -0.37 -1.56 119.26 121.99 3ea1 h ALA 98 Ca 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ea1 h ALA 98 Cb 0.72 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3ea1 h ALA 98 CO 0.06 0.68 0.35 0.87 0.00 0.00 0.00 179.25 181.20 3ea1 h LYS 99 N 0.84 0.86 -0.30 0.00 1.57 -0.22 -0.04 116.57 119.28 3ea1 h LYS 99 Ca 0.10 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3ea1 h LYS 99 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3ea1 h LYS 99 CO 0.07 0.65 0.12 1.96 -0.57 0.00 0.00 179.45 181.68 3ea1 h GLN 100 N 0.84 0.45 -0.70 3.15 1.08 -1.16 -0.26 115.11 118.52 3ea1 h GLN 100 Ca 0.22 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 3ea1 h GLN 100 Cb 0.03 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 3ea1 h GLN 100 CO -0.04 0.46 0.46 0.35 -0.95 0.00 0.00 178.83 179.12 3ea1 h PHE 101 N 0.34 0.87 -0.04 2.96 3.57 -1.01 -0.39 116.94 123.24 3ea1 h PHE 101 Ca 0.10 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 3ea1 h PHE 101 Cb 0.18 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3ea1 h PHE 101 CO -0.01 0.54 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.11 3ea1 h LEU 102 N 0.94 0.09 -0.22 0.59 3.38 -0.80 0.27 115.31 119.56 3ea1 h LEU 102 Ca 0.26 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3ea1 h LEU 102 Cb -0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ea1 h LEU 102 CO -0.06 0.52 -0.33 0.50 0.09 0.00 0.00 178.44 179.16 3ea1 h LYS 103 N 0.07 0.62 -0.07 1.13 3.64 -0.50 -1.90 116.57 119.56 3ea1 h LYS 103 Ca 0.00 -0.37 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 3ea1 h LYS 103 Cb 0.80 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3ea1 h LYS 103 CO 0.06 0.98 -0.59 -0.44 -2.27 0.00 0.00 179.45 177.19 3ea1 h ASP 104 N 0.31 0.24 -2.41 4.20 3.32 -0.84 -3.37 116.42 117.88 3ea1 h ASP 104 Ca 0.02 -0.14 -0.59 0.00 0.02 0.00 0.00 57.03 56.34 3ea1 h ASP 104 Cb 0.92 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.00 3ea1 h ASP 104 CO 0.08 0.78 -0.84 0.59 -1.72 0.00 0.00 179.24 178.12 3ea1 n ASN 105 N -3.88 1.29 0.14 6.45 3.02 0.94 -4.97 115.26 118.24 3ea1 n ASN 105 Ca -0.02 -2.85 0.10 0.00 -0.03 0.00 0.00 54.58 51.77 3ea1 n ASN 105 Cb 0.60 -0.64 0.51 0.00 -0.61 0.00 0.00 39.78 39.64 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 1.90 0.12 0.22 3.52 -0.04 -0.72 -2.12 135.00 137.89 3ea1 n PRO 106 Ca 0.25 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.46 3ea1 n PRO 106 Cb 0.45 -1.90 0.29 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.93 3.54 4.64 -1.93 -3.04 113.55 113.83 3ea1 h SER 107 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3ea1 h SER 107 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3ea1 h SER 107 CO 0.00 0.00 0.07 -1.61 -0.87 0.00 0.00 176.83 174.42 3ea1 s GLU 108 N -3.28 2.37 0.06 4.77 0.41 -0.90 -4.41 118.70 117.72 3ea1 s GLU 108 Ca 0.06 -0.62 0.01 0.00 -0.41 0.00 0.00 54.97 54.02 3ea1 s GLU 108 Cb 0.07 -2.37 -0.03 0.00 -1.78 0.00 0.00 34.13 30.02 3ea1 s GLU 108 CO 0.63 -0.94 -0.06 -0.08 -0.49 0.00 0.00 175.26 174.32 3ea1 s THR 109 N -2.95 0.48 -0.14 3.63 -1.32 -1.26 0.14 115.64 114.21 3ea1 s THR 109 Ca 0.59 -1.43 0.02 0.00 -1.21 0.00 0.00 61.69 59.65 3ea1 s THR 109 Cb -0.10 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 3ea1 s THR 109 CO 0.41 -0.65 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.36 3ea1 s ILE 110 N -2.48 1.78 -0.26 5.08 -1.09 -1.01 -4.86 121.20 118.37 3ea1 s ILE 110 Ca -0.01 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.49 3ea1 s ILE 110 Cb -0.02 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.20 3ea1 s ILE 110 CO -0.03 0.50 0.21 -0.63 -1.23 0.00 0.00 174.94 173.75 3ea1 s ILE 111 N 1.04 5.31 -0.30 2.92 1.01 0.12 0.10 121.20 131.41 3ea1 s ILE 111 Ca -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 3ea1 s ILE 111 Cb -0.15 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.83 3ea1 s ILE 111 CO -0.05 0.28 0.00 -0.32 0.00 0.00 0.00 174.94 174.86 3ea1 s MET 112 N 1.48 2.47 0.03 2.79 1.75 0.38 -0.78 119.30 127.42 3ea1 s MET 112 Ca 0.09 -1.24 -0.27 0.00 -1.25 0.00 0.00 55.69 53.02 3ea1 s MET 112 Cb -0.15 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.29 3ea1 s MET 112 CO 0.08 -0.61 0.86 0.45 -0.65 0.00 0.00 175.02 175.16 3ea1 s SER 113 N 1.27 7.29 -0.12 1.11 0.15 0.20 -0.89 113.70 122.71 3ea1 s SER 113 Ca -0.05 1.55 0.01 0.00 0.70 0.00 0.00 55.95 58.16 3ea1 s SER 113 Cb -0.20 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3ea1 s SER 113 CO -0.01 -0.10 -0.12 -0.22 1.20 0.00 0.00 173.24 173.99 3ea1 s LEU 114 N 0.37 1.54 0.06 3.45 0.20 -0.77 -0.94 118.68 122.59 3ea1 s LEU 114 Ca 0.44 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.92 3ea1 s LEU 114 Cb -0.21 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.52 3ea1 s LEU 114 CO 0.25 -0.04 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.38 3ea1 s LYS 115 N 1.30 0.89 -0.25 1.98 2.20 -0.34 -1.33 119.74 124.18 3ea1 s LYS 115 Ca -0.01 -0.88 -0.27 0.00 -0.36 0.00 0.00 55.97 54.45 3ea1 s LYS 115 Cb -0.14 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 3ea1 s LYS 115 CO -0.05 0.21 0.94 0.21 -0.36 0.00 0.00 175.35 176.30 3ea1 s LYS 116 N -1.48 4.17 -0.08 4.03 2.20 -1.26 -0.95 119.74 126.36 3ea1 s LYS 116 Ca 0.00 1.08 0.17 0.00 -0.36 0.00 0.00 55.97 56.86 3ea1 s LYS 116 Cb -0.09 -3.66 -0.23 0.00 -1.51 0.00 0.00 37.83 32.34 3ea1 s LYS 116 CO 0.02 -0.63 0.44 -1.91 -0.36 0.00 0.00 175.35 172.91 3ea1 n GLU 117 N 6.26 0.66 -3.72 4.03 4.07 0.77 -4.86 120.64 127.85 3ea1 n GLU 117 Ca 0.09 0.11 -0.12 0.00 -0.06 0.00 0.00 57.16 57.17 3ea1 n GLU 117 Cb 0.47 -1.66 -0.07 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 -2.72 -0.16 0.26 4.31 5.04 -1.24 -4.44 117.35 118.41 3ea1 s TYR 118 Ca -0.07 0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.34 3ea1 s TYR 118 Cb 0.08 0.14 -0.15 0.00 0.35 0.00 0.00 41.96 42.38 3ea1 s TYR 118 CO 0.83 -0.53 0.97 -1.91 -1.34 0.00 0.00 175.55 173.58 3ea1 n GLU 119 N 0.57 1.17 -1.67 4.97 2.13 -1.26 -4.55 120.64 121.99 3ea1 n GLU 119 Ca -0.19 0.41 -0.38 0.00 0.66 0.00 0.00 57.16 57.66 3ea1 n GLU 119 Cb 0.59 -1.75 0.05 0.00 0.27 0.00 0.00 31.44 30.60 3ea1 n GLU 119 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ea1 n ASP 120 N 1.42 1.62 -4.83 4.31 8.00 -1.26 -4.71 116.55 121.09 3ea1 n ASP 120 Ca 0.11 0.88 -0.32 0.00 0.71 0.00 0.00 54.79 56.17 3ea1 n ASP 120 Cb 0.30 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 39.92 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 -2.84 3.61 0.37 -1.24 -1.94 -0.11 -4.99 119.30 112.16 3ea1 s MET 121 Ca 0.75 1.05 -0.25 0.00 -1.71 0.00 0.00 55.69 55.52 3ea1 s MET 121 Cb -0.42 -2.08 -0.09 0.00 2.01 0.00 0.00 34.83 34.24 3ea1 s MET 121 CO 0.47 -0.56 1.04 0.15 -0.01 0.00 0.00 175.02 176.12 3ea1 s LYS 122 N -4.19 4.31 0.00 2.03 -0.14 -1.26 -3.73 119.74 116.76 3ea1 s LYS 122 Ca 0.61 1.54 0.00 0.00 -1.36 0.00 0.00 55.97 56.75 3ea1 s LYS 122 Cb -0.13 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 3ea1 s LYS 122 CO 0.36 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.34 3ea1 n GLY 123 N 0.53 0.82 3.77 -3.33 0.00 -1.26 -4.47 105.19 101.25 3ea1 n GLY 123 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.13 3.29 -0.03 4.61 0.00 -1.24 -4.82 121.76 121.44 3ea1 s ALA 124 Ca 0.00 1.20 0.16 0.00 0.00 0.00 0.00 51.96 53.33 3ea1 s ALA 124 Cb 0.00 -3.47 0.29 0.00 0.00 0.00 0.00 23.12 19.93 3ea1 s ALA 124 CO 0.00 -0.75 1.54 0.93 0.00 0.00 0.00 175.76 177.48 3ea1 h GLU 125 N 2.81 0.00 0.00 0.00 5.08 -1.88 -3.48 114.58 117.12 3ea1 h GLU 125 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3ea1 h GLU 125 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3ea1 h GLU 125 CO 0.63 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 179.53 3ea1 n GLY 126 N 0.87 5.40 3.89 -3.84 0.00 -1.26 -5.14 105.19 105.12 3ea1 n GLY 126 Ca 0.01 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 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 4.96 0.14 1.61 1.04 -1.26 -4.93 113.70 116.25 3ea1 s SER 127 Ca 0.00 -0.85 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 3ea1 s SER 127 Cb 0.00 -0.34 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 3ea1 s SER 127 CO 0.00 -0.77 1.76 0.15 0.98 0.00 0.00 173.24 175.36 3ea1 h PHE 128 N 0.94 0.22 -0.16 5.02 3.04 -1.99 0.44 116.94 124.46 3ea1 h PHE 128 Ca -0.40 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.53 3ea1 h PHE 128 Cb 1.27 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.72 3ea1 h PHE 128 CO 0.59 0.11 -0.03 0.66 -2.02 0.00 0.00 178.31 177.63 3ea1 h SER 129 N 0.26 0.30 -0.09 0.41 4.64 -1.92 -1.71 113.55 115.44 3ea1 h SER 129 Ca 0.11 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3ea1 h SER 129 Cb 0.05 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3ea1 h SER 129 CO -0.09 0.59 -0.12 0.77 -0.87 0.00 0.00 176.83 177.10 3ea1 h SER 130 N 0.01 0.40 -0.08 4.97 4.64 -1.85 -0.97 113.55 120.68 3ea1 h SER 130 Ca 0.04 -0.10 -0.22 0.00 -0.47 0.00 0.00 61.79 61.05 3ea1 h SER 130 Cb 0.46 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3ea1 h SER 130 CO 0.01 0.56 -0.78 0.74 -0.87 0.00 0.00 176.83 176.50 3ea1 h THR 131 N 0.39 1.29 -0.51 2.95 2.02 -0.87 -1.51 112.91 116.67 3ea1 h THR 131 Ca 0.07 -2.00 -0.05 0.00 0.77 0.00 0.00 66.41 65.20 3ea1 h THR 131 Cb 0.46 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3ea1 h THR 131 CO 0.03 0.63 0.12 0.15 0.37 0.00 0.00 175.52 176.81 3ea1 h PHE 132 N 0.50 0.86 -0.40 3.16 3.57 -1.01 -0.93 116.94 122.69 3ea1 h PHE 132 Ca -0.05 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 3ea1 h PHE 132 Cb 1.40 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3ea1 h PHE 132 CO 0.08 0.77 -0.12 0.93 -2.23 0.00 0.00 178.31 177.73 3ea1 h GLU 133 N 0.70 0.79 -0.09 1.11 5.08 -1.17 0.36 114.58 121.36 3ea1 h GLU 133 Ca 0.16 -0.32 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 3ea1 h GLU 133 Cb 0.34 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3ea1 h GLU 133 CO 0.00 0.93 -0.89 -0.22 -1.00 0.00 0.00 179.01 177.84 3ea1 h LYS 134 N 0.61 0.76 -0.01 2.33 3.64 -1.23 -2.90 116.57 119.77 3ea1 h LYS 134 Ca 0.10 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3ea1 h LYS 134 Cb 0.66 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3ea1 h LYS 134 CO 0.04 1.29 -0.62 0.09 -2.27 0.00 0.00 179.45 177.98 3ea1 n ASN 135 N -3.90 1.44 0.06 4.20 3.02 -0.36 -4.67 115.26 115.05 3ea1 n ASN 135 Ca -0.09 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3ea1 n ASN 135 Cb 0.80 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.68 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 -0.67 -0.85 0.07 3.10 4.02 -0.39 -4.89 117.16 117.55 3ea1 n TYR 136 Ca 0.06 0.15 0.10 0.00 -0.01 0.00 0.00 57.90 58.20 3ea1 n TYR 136 Cb 0.36 0.30 0.56 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 0.23 -0.22 -0.72 3.57 -1.04 -2.07 116.94 116.69 3ea1 h PHE 137 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3ea1 h PHE 137 Cb 0.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3ea1 h PHE 137 CO 0.00 0.13 0.21 -0.39 -2.23 0.00 0.00 178.31 176.03 3ea1 h VAL 138 N 0.24 0.56 -2.20 1.41 -1.51 -1.77 -3.43 116.25 109.55 3ea1 h VAL 138 Ca 0.15 0.00 -0.61 0.00 -1.23 0.00 0.00 66.70 65.01 3ea1 h VAL 138 Cb 0.29 0.84 0.06 0.00 -2.13 0.00 0.00 31.29 30.35 3ea1 h VAL 138 CO -0.03 0.00 0.67 -0.67 -1.23 0.00 0.00 177.57 176.31 3ea1 n ASP 139 N -3.97 2.65 0.30 4.19 -0.08 -0.78 -4.83 116.55 114.03 3ea1 n ASP 139 Ca 0.02 1.10 0.17 0.00 -1.51 0.00 0.00 54.79 54.57 3ea1 n ASP 139 Cb 0.35 -1.37 0.88 0.00 2.34 0.00 0.00 41.12 43.32 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 5.22 0.00 0.00 -0.67 0.11 -1.90 -1.99 132.00 132.76 3ea1 h PRO 140 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3ea1 h PRO 140 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ea1 h PRO 140 CO 0.83 0.00 -0.07 0.97 -0.21 0.00 0.00 178.00 179.52 3ea1 h ILE 141 N 0.00 0.67 -3.34 4.15 6.09 -1.90 -3.42 117.51 119.75 3ea1 h ILE 141 Ca 0.00 -0.28 -0.57 0.00 -1.37 0.00 0.00 64.86 62.63 3ea1 h ILE 141 Cb 0.36 1.17 -0.07 0.00 0.47 0.00 0.00 36.82 38.76 3ea1 h ILE 141 CO 0.00 0.07 0.26 -0.36 -3.07 0.00 0.00 178.15 175.05 3ea1 s PHE 142 N -4.51 3.47 0.24 2.19 0.08 -0.75 -0.46 117.98 118.25 3ea1 s PHE 142 Ca -0.04 1.23 -0.31 0.00 0.12 0.00 0.00 56.93 57.93 3ea1 s PHE 142 Cb 0.15 -2.93 -0.11 0.00 -0.57 0.00 0.00 43.02 39.56 3ea1 s PHE 142 CO 0.59 -0.12 1.57 -1.17 -0.10 0.00 0.00 175.22 176.00 3ea1 s LEU 143 N 1.65 4.36 0.00 -0.37 2.96 -0.61 -4.91 118.68 121.76 3ea1 s LEU 143 Ca 0.37 2.81 0.16 0.00 -0.22 0.00 0.00 54.13 57.25 3ea1 s LEU 143 Cb -0.17 -3.62 0.30 0.00 0.50 0.00 0.00 46.19 43.20 3ea1 s LEU 143 CO 0.15 -0.86 1.20 0.29 -1.32 0.00 0.00 176.35 175.81 3ea1 n LYS 144 N 2.84 2.07 -3.74 1.98 4.76 -1.26 -3.82 118.16 121.00 3ea1 n LYS 144 Ca 0.10 -1.91 -0.21 0.00 -2.87 0.00 0.00 58.31 53.42 3ea1 n LYS 144 Cb 0.38 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.18 3.37 0.00 -0.18 -4.23 -1.26 -3.32 115.64 108.84 3ea1 s THR 145 Ca 0.27 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3ea1 s THR 145 Cb 0.16 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.85 3ea1 s THR 145 CO 0.22 -0.14 0.00 -0.62 -0.54 0.00 0.00 174.62 173.54 3ea1 n GLU 146 N -1.42 1.47 0.00 3.99 1.02 -1.26 -1.56 120.64 122.88 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 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 3.62 -0.29 3.31 0.62 0.00 -1.26 -3.90 105.19 107.28 3ea1 n GLY 147 Ca 0.00 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.44 4.81 -4.60 1.61 4.05 -1.26 -4.85 115.26 113.59 3ea1 n ASN 148 Ca 0.00 -2.94 -0.61 0.00 0.45 0.00 0.00 54.58 51.48 3ea1 n ASN 148 Cb 0.00 -1.66 -0.08 0.00 1.23 0.00 0.00 39.78 39.27 3ea1 n ASN 148 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 3ea1 n ILE 149 N 5.37 0.01 -3.71 -1.44 5.41 -1.25 -4.78 119.36 118.98 3ea1 n ILE 149 Ca 0.46 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.89 3ea1 n ILE 149 Cb 0.43 -0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 39.05 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 1.14 3.60 0.23 0.38 1.02 -1.26 -0.94 119.74 123.92 3ea1 s LYS 150 Ca 0.95 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 56.77 3ea1 s LYS 150 Cb -1.32 -2.90 0.36 0.00 -0.52 0.00 0.00 37.83 33.45 3ea1 s LYS 150 CO 0.65 0.50 1.80 1.25 -0.92 0.00 0.00 175.35 178.63 3ea1 h LEU 151 N 3.00 0.59 -0.89 3.17 5.85 -1.18 -2.30 115.31 123.55 3ea1 h LEU 151 Ca -0.46 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.44 3ea1 h LEU 151 Cb 1.17 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 3ea1 h LEU 151 CO 0.72 0.34 0.50 1.23 -0.34 0.00 0.00 178.44 180.90 3ea1 h GLY 152 N 0.72 1.46 2.00 3.75 0.00 -1.16 -0.28 103.07 109.55 3ea1 h GLY 152 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ea1 h GLY 152 CO -0.24 0.04 0.00 -0.55 0.00 0.00 0.00 176.54 175.78 3ea1 h ASP 153 N 0.75 0.00 0.80 0.19 3.32 -1.68 -3.29 116.42 116.50 3ea1 h ASP 153 Ca 0.47 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.41 3ea1 h ASP 153 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3ea1 h ASP 153 CO -0.32 0.00 -1.28 0.00 -1.72 0.00 0.00 179.24 175.92 3ea1 n ALA 154 N -2.03 2.13 -1.59 3.45 0.00 -0.26 -4.88 120.51 117.34 3ea1 n ALA 154 Ca 0.04 -0.44 -0.51 0.00 0.00 0.00 0.00 53.44 52.54 3ea1 n ALA 154 Cb 0.48 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 3ea1 n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ea1 n ARG 155 N -2.82 1.17 -0.97 0.00 1.74 -0.38 -0.88 116.66 114.53 3ea1 n ARG 155 Ca -0.06 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 3ea1 n ARG 155 Cb 0.74 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 2.35 0.52 3.35 -0.13 0.00 0.12 -4.97 105.19 106.43 3ea1 n GLY 156 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.35 1.41 -0.22 1.61 1.02 -0.06 -4.96 119.74 118.19 3ea1 s LYS 157 Ca 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 55.97 54.16 3ea1 s LYS 157 Cb 0.00 -0.65 -0.05 0.00 -0.52 0.00 0.00 37.83 36.61 3ea1 s LYS 157 CO 0.00 -0.12 0.14 0.42 -0.92 0.00 0.00 175.35 174.87 3ea1 s ILE 158 N -3.41 5.36 -0.31 2.17 1.01 0.39 -2.39 121.20 124.03 3ea1 s ILE 158 Ca 0.31 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 61.03 3ea1 s ILE 158 Cb 0.06 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3ea1 s ILE 158 CO 0.10 0.39 0.17 -0.69 0.00 0.00 0.00 174.94 174.91 3ea1 s VAL 159 N 0.76 4.82 0.20 2.92 1.01 0.12 -1.57 120.40 128.65 3ea1 s VAL 159 Ca 0.08 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3ea1 s VAL 159 Cb -0.12 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3ea1 s VAL 159 CO 0.02 0.11 1.03 -0.22 0.00 0.00 0.00 175.10 176.03 3ea1 s LEU 160 N 1.66 4.54 -0.32 3.92 2.96 -1.26 -0.47 118.68 129.71 3ea1 s LEU 160 Ca 0.05 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.03 3ea1 s LEU 160 Cb -0.17 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.01 3ea1 s LEU 160 CO 0.08 -0.08 0.02 -0.22 -1.32 0.00 0.00 176.35 174.83 3ea1 s LEU 161 N -0.71 4.36 0.10 -0.68 2.96 -0.07 0.06 118.68 124.69 3ea1 s LEU 161 Ca 0.46 -1.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 3ea1 s LEU 161 Cb -0.28 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 3ea1 s LEU 161 CO 0.34 -0.35 1.11 -0.54 -1.32 0.00 0.00 176.35 175.60 3ea1 s LYS 162 N 0.98 4.53 -0.10 1.98 1.02 -0.84 -1.85 119.74 125.46 3ea1 s LYS 162 Ca 0.07 1.67 0.16 0.00 0.02 0.00 0.00 55.97 57.90 3ea1 s LYS 162 Cb -0.19 -3.34 0.37 0.00 -0.52 0.00 0.00 37.83 34.14 3ea1 s LYS 162 CO -0.08 -0.07 1.17 0.54 -0.92 0.00 0.00 175.35 175.99 3ea1 n ARG 163 N 3.27 0.79 -4.14 1.68 1.74 -0.44 -4.00 116.66 115.54 3ea1 n ARG 163 Ca 0.06 -2.49 -0.13 0.00 -0.77 0.00 0.00 57.85 54.52 3ea1 n ARG 163 Cb 0.47 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.63 0.89 0.37 -1.55 -0.85 -1.24 -4.31 117.35 109.02 3ea1 s TYR 164 Ca 0.32 -0.70 0.07 0.00 -0.52 0.00 0.00 57.07 56.24 3ea1 s TYR 164 Cb 0.33 -0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 3ea1 s TYR 164 CO -0.09 -0.08 0.42 -1.54 -1.52 0.00 0.00 175.55 172.74 3ea1 s SER 165 N -2.40 5.52 0.00 -0.18 1.04 -1.26 -4.64 113.70 111.78 3ea1 s SER 165 Ca 0.03 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3ea1 s SER 165 Cb -0.02 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.19 3ea1 s SER 165 CO -0.02 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3ea1 n GLY 166 N -1.58 0.71 3.65 7.32 0.00 -1.26 -4.67 105.19 109.36 3ea1 n GLY 166 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 2.27 -0.08 1.61 2.88 -1.26 -4.81 113.62 114.22 3ea1 n SER 167 Ca 0.00 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.73 3ea1 n SER 167 Cb 0.00 -1.39 0.03 0.00 -0.75 0.00 0.00 64.21 62.09 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 1.42 1.20 -4.10 -3.46 2.85 -1.26 -5.05 115.26 106.85 3ea1 n ASN 168 Ca 0.09 -1.91 -0.20 0.00 -0.11 0.00 0.00 54.58 52.45 3ea1 n ASN 168 Cb 0.33 -0.11 -0.14 0.00 1.24 0.00 0.00 39.78 41.10 3ea1 n ASN 168 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ea1 s GLU 169 N -0.91 0.92 0.38 1.20 0.41 -1.26 -5.14 118.70 114.29 3ea1 s GLU 169 Ca 0.06 -0.60 -0.23 0.00 -0.41 0.00 0.00 54.97 53.78 3ea1 s GLU 169 Cb 0.05 -0.90 -0.10 0.00 -1.78 0.00 0.00 34.13 31.40 3ea1 s GLU 169 CO 0.01 0.23 0.95 -1.12 -0.49 0.00 0.00 175.26 174.83 3ea1 s SER 170 N -0.76 7.13 0.00 -0.19 0.01 -1.26 -5.01 113.70 113.62 3ea1 s SER 170 Ca 0.02 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3ea1 s SER 170 Cb -0.06 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3ea1 s SER 170 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 3ea1 n GLY 171 N -0.07 4.56 7.00 3.44 0.00 -1.21 -4.61 105.19 114.30 3ea1 n GLY 171 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.82 -0.20 3.68 -0.02 0.00 -0.60 -4.75 105.19 102.48 3ea1 n GLY 172 Ca 0.00 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 3.35 0.80 1.61 2.02 0.11 -4.56 117.35 120.68 3ea1 s TYR 173 Ca 0.00 0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.89 3ea1 s TYR 173 Cb 0.00 -2.30 0.08 0.00 -0.40 0.00 0.00 41.96 39.34 3ea1 s TYR 173 CO 0.00 0.10 1.20 -0.80 -1.57 0.00 0.00 175.55 174.48 3ea1 s ASN 174 N 0.90 3.66 0.49 2.29 0.01 -1.26 -2.00 114.94 119.04 3ea1 s ASN 174 Ca 0.10 2.35 -0.21 0.00 -0.71 0.00 0.00 52.86 54.39 3ea1 s ASN 174 Cb -0.13 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 38.87 3ea1 s ASN 174 CO 0.04 -2.62 1.13 0.21 -1.51 0.00 0.00 177.10 174.35 3ea1 s ASN 175 N -2.18 6.07 0.10 -1.22 2.47 -1.26 -4.59 114.94 114.35 3ea1 s ASN 175 Ca 0.73 2.19 -0.07 0.00 0.42 0.00 0.00 52.86 56.14 3ea1 s ASN 175 Cb -0.28 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 36.91 3ea1 s ASN 175 CO 0.50 -0.98 0.16 0.72 -3.72 0.00 0.00 177.10 173.79 3ea1 s PHE 176 N -1.68 0.33 0.08 0.43 -0.12 -1.26 -5.04 117.98 110.71 3ea1 s PHE 176 Ca 0.67 -0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 56.48 3ea1 s PHE 176 Cb -0.25 -0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 41.90 3ea1 s PHE 176 CO 0.30 -0.55 1.88 -0.47 -0.05 0.00 0.00 175.22 176.32 3ea1 s TYR 177 N -3.91 1.76 -0.59 3.49 5.04 -1.26 -4.94 117.35 116.93 3ea1 s TYR 177 Ca 0.10 -0.20 0.04 0.00 -2.44 0.00 0.00 57.07 54.57 3ea1 s TYR 177 Cb 0.05 -4.19 0.15 0.00 0.35 0.00 0.00 41.96 38.32 3ea1 s TYR 177 CO -0.07 -5.11 0.37 -0.46 -1.34 0.00 0.00 175.55 168.94 3ea1 s TRP 178 N 3.55 3.13 0.50 4.97 -0.11 -1.26 -4.98 118.94 124.74 3ea1 s TRP 178 Ca 0.84 -3.13 -0.21 0.00 1.22 0.00 0.00 56.10 54.81 3ea1 s TRP 178 Cb -0.44 -2.57 -0.08 0.00 -1.50 0.00 0.00 33.47 28.88 3ea1 s TRP 178 CO 0.38 -0.66 0.90 -0.35 -4.62 0.00 0.00 176.95 172.61 3ea1 n PRO 179 N 2.59 1.04 -2.43 5.86 -0.04 -1.26 -4.91 135.00 135.86 3ea1 n PRO 179 Ca 0.14 0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3ea1 n PRO 179 Cb 0.35 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.98 7.10 -1.31 3.54 2.15 -1.26 -4.16 116.67 121.75 3ea1 s ASP 180 Ca 0.68 2.05 -0.05 0.00 0.43 0.00 0.00 52.55 55.66 3ea1 s ASP 180 Cb -0.49 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.54 3ea1 s ASP 180 CO 0.53 -0.43 0.59 -3.20 -0.17 0.00 0.00 175.17 172.49 3ea1 n ASN 181 N 3.55 -1.75 -3.64 -0.34 5.15 -1.25 -4.98 115.26 112.01 3ea1 n ASN 181 Ca 0.08 -0.95 -0.12 0.00 -0.60 0.00 0.00 54.58 52.98 3ea1 n ASN 181 Cb 0.46 -3.44 -0.05 0.00 -0.53 0.00 0.00 39.78 36.22 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 -6.23 1.68 -0.20 1.20 2.02 -1.19 -4.65 118.70 111.33 3ea1 s GLU 182 Ca 0.11 -1.58 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 3ea1 s GLU 182 Cb -0.04 0.42 -0.02 0.00 0.10 0.00 0.00 34.13 34.60 3ea1 s GLU 182 CO 0.86 -0.68 -0.02 0.99 0.02 0.00 0.00 175.26 176.43 3ea1 s THR 183 N -3.54 3.73 0.15 3.63 2.01 -1.26 -1.49 115.64 118.87 3ea1 s THR 183 Ca 0.29 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3ea1 s THR 183 Cb 0.01 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3ea1 s THR 183 CO 0.15 0.43 0.17 0.72 -0.69 0.00 0.00 174.62 175.40 3ea1 s PHE 184 N 1.08 0.69 0.00 4.92 -0.12 0.06 -4.98 117.98 119.62 3ea1 s PHE 184 Ca 0.02 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 55.89 3ea1 s PHE 184 Cb -0.14 -0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 41.94 3ea1 s PHE 184 CO 0.01 -0.63 -0.11 0.99 -0.05 0.00 0.00 175.22 175.43 3ea1 s THR 185 N -4.02 0.89 0.00 -4.49 2.01 -1.26 -0.62 115.64 108.14 3ea1 s THR 185 Ca 0.23 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.63 3ea1 s THR 185 Cb 0.05 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3ea1 s THR 185 CO 0.02 0.17 0.00 1.07 -0.69 0.00 0.00 174.62 175.19 3ea1 n THR 186 N 2.57 0.00 -4.22 -0.82 5.66 0.38 -5.00 114.28 112.86 3ea1 n THR 186 Ca -0.15 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.68 3ea1 n THR 186 Cb 0.56 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.79 1.20 0.00 1.09 -4.23 -1.26 -0.16 115.64 109.48 3ea1 s THR 187 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3ea1 s THR 187 Cb 0.00 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3ea1 s THR 187 CO 0.00 -0.44 0.00 0.52 -0.54 0.00 0.00 174.62 174.16 3ea1 n VAL 188 N 0.62 0.00 -0.08 2.29 0.31 -0.28 -4.89 118.33 116.30 3ea1 n VAL 188 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.15 3ea1 n VAL 188 Cb 0.57 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.49 3ea1 n VAL 188 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ea1 n ASN 189 N 0.00 0.04 0.00 4.52 3.02 -1.26 -4.55 115.26 117.03 3ea1 n ASN 189 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 3ea1 n ASN 189 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 3ea1 n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ea1 n GLN 190 N 4.89 0.00 -0.18 3.52 10.64 -1.26 -4.11 117.38 130.87 3ea1 n GLN 190 Ca 0.02 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.25 3ea1 n GLN 190 Cb 0.02 -0.27 0.08 0.00 -0.86 0.00 0.00 30.24 29.21 3ea1 n GLN 190 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3ea1 n ASN 191 N 0.57 1.56 -4.21 2.61 0.23 -1.26 -5.01 115.26 109.74 3ea1 n ASN 191 Ca 0.00 -2.60 -0.34 0.00 -0.53 0.00 0.00 54.58 51.10 3ea1 n ASN 191 Cb 0.00 -0.31 -0.15 0.00 -2.08 0.00 0.00 39.78 37.24 3ea1 n ASN 191 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3ea1 s VAL 192 N -1.79 2.83 -0.07 3.53 1.01 -1.26 -4.85 120.40 119.81 3ea1 s VAL 192 Ca 0.19 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 3ea1 s VAL 192 Cb 0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3ea1 s VAL 192 CO 0.02 0.35 0.73 0.20 0.00 0.00 0.00 175.10 176.40 3ea1 s ASN 193 N 1.36 7.01 -0.04 3.32 -0.87 -0.06 -1.13 114.94 124.54 3ea1 s ASN 193 Ca 0.03 1.22 0.06 0.00 -1.57 0.00 0.00 52.86 52.60 3ea1 s ASN 193 Cb -0.15 -2.43 -0.02 0.00 -0.02 0.00 0.00 41.25 38.63 3ea1 s ASN 193 CO -0.06 -0.15 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.41 3ea1 s VAL 194 N 0.90 2.36 -0.10 1.60 1.01 0.77 0.55 120.40 127.50 3ea1 s VAL 194 Ca 0.39 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3ea1 s VAL 194 Cb -0.18 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3ea1 s VAL 194 CO 0.19 0.58 -0.12 -0.89 0.00 0.00 0.00 175.10 174.86 3ea1 s THR 195 N -0.48 1.25 -0.05 3.92 2.01 0.67 -0.47 115.64 122.49 3ea1 s THR 195 Ca 0.06 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.63 3ea1 s THR 195 Cb -0.11 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 3ea1 s THR 195 CO 0.01 0.40 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 3ea1 s VAL 196 N 1.21 1.63 -0.35 3.82 1.01 0.20 -1.20 120.40 126.72 3ea1 s VAL 196 Ca -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3ea1 s VAL 196 Cb -0.14 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 34.93 3ea1 s VAL 196 CO -0.04 0.46 0.10 -1.58 0.00 0.00 0.00 175.10 174.05 3ea1 s GLN 197 N 0.03 2.13 -0.39 2.72 -0.44 -0.27 -0.76 119.66 122.69 3ea1 s GLN 197 Ca -0.05 -1.58 0.12 0.00 -2.50 0.00 0.00 55.36 51.34 3ea1 s GLN 197 Cb -0.13 -3.37 0.40 0.00 -1.64 0.00 0.00 33.01 28.27 3ea1 s GLN 197 CO 0.03 -0.86 0.89 -3.47 0.50 0.00 0.00 175.29 172.38 3ea1 n ASP 198 N 4.57 2.13 -4.49 6.67 2.03 -0.55 -1.84 116.55 125.07 3ea1 n ASP 198 Ca -0.06 -3.10 -0.44 0.00 0.52 0.00 0.00 54.79 51.71 3ea1 n ASP 198 Cb 0.42 -0.56 -0.00 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 4.05 0.00 -0.67 1.02 -1.25 -3.16 119.74 116.74 3ea1 s LYS 199 Ca 0.38 -2.41 0.25 0.00 0.02 0.00 0.00 55.97 54.21 3ea1 s LYS 199 Cb 0.39 -5.17 1.09 0.00 -0.52 0.00 0.00 37.83 33.62 3ea1 s LYS 199 CO -0.06 -1.89 1.82 2.48 -0.92 0.00 0.00 175.35 176.78 3ea1 n TYR 200 N 6.34 0.00 -2.44 3.18 4.11 -1.26 -3.99 117.16 123.10 3ea1 n TYR 200 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.28 3ea1 n TYR 200 Cb 0.44 -0.49 0.06 0.00 -0.00 0.00 0.00 39.34 39.34 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 -1.49 1.40 -3.00 -3.48 2.85 -1.26 -0.38 118.16 112.80 3ea1 n LYS 201 Ca 0.06 -3.07 -0.18 0.00 -1.05 0.00 0.00 58.31 54.08 3ea1 n LYS 201 Cb 0.30 -1.16 0.01 0.00 -0.65 0.00 0.00 35.03 33.53 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 -2.55 3.05 0.75 0.58 -7.23 -1.26 -5.06 120.40 108.68 3ea1 s VAL 202 Ca 0.34 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.42 3ea1 s VAL 202 Cb 0.36 -3.03 0.05 0.00 0.56 0.00 0.00 36.38 34.32 3ea1 s VAL 202 CO -0.08 -0.01 1.15 0.54 -0.31 0.00 0.00 175.10 176.39 3ea1 s ASN 203 N -4.34 4.24 0.18 4.85 2.20 -1.26 -4.72 114.94 116.07 3ea1 s ASN 203 Ca 0.54 2.14 -0.19 0.00 -0.94 0.00 0.00 52.86 54.42 3ea1 s ASN 203 Cb -0.10 -2.56 0.11 0.00 -2.00 0.00 0.00 41.25 36.70 3ea1 s ASN 203 CO 0.34 -2.22 1.63 0.22 -2.94 0.00 0.00 177.10 174.12 3ea1 h TYR 204 N -0.65 -0.52 -0.86 1.54 5.03 -1.99 -0.26 116.97 119.25 3ea1 h TYR 204 Ca -0.46 0.05 0.01 0.00 2.58 0.00 0.00 58.73 60.91 3ea1 h TYR 204 Cb 1.27 0.30 -0.04 0.00 1.55 0.00 0.00 36.73 39.80 3ea1 h TYR 204 CO 0.51 -0.29 0.57 -0.44 -1.32 0.00 0.00 178.16 177.20 3ea1 h ASP 205 N -0.12 0.99 -0.67 -2.11 3.32 -2.00 -0.96 116.42 114.87 3ea1 h ASP 205 Ca 0.21 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3ea1 h ASP 205 Cb 0.44 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3ea1 h ASP 205 CO -0.51 0.71 0.27 -0.08 -1.72 0.00 0.00 179.24 177.91 3ea1 h GLU 206 N 1.16 1.02 0.16 3.56 4.57 -1.73 -1.16 114.58 122.17 3ea1 h GLU 206 Ca 0.32 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 3ea1 h GLU 206 Cb -0.12 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 3ea1 h GLU 206 CO -0.07 0.84 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.30 3ea1 h LYS 207 N 1.00 -0.21 -0.67 1.92 1.63 -0.20 -0.54 116.57 119.51 3ea1 h LYS 207 Ca 0.23 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.09 3ea1 h LYS 207 Cb 0.20 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 3ea1 h LYS 207 CO -0.02 0.02 0.40 0.28 -3.45 0.00 0.00 179.45 176.69 3ea1 h VAL 208 N -0.41 1.04 -0.66 2.00 2.07 -1.07 -0.98 116.25 118.25 3ea1 h VAL 208 Ca -0.02 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3ea1 h VAL 208 Cb 0.32 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3ea1 h VAL 208 CO 0.04 0.14 0.14 0.50 0.02 0.00 0.00 177.57 178.41 3ea1 h LYS 209 N 0.77 1.07 -0.60 1.57 3.64 -1.12 -2.26 116.57 119.64 3ea1 h LYS 209 Ca 0.28 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 3ea1 h LYS 209 Cb 0.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3ea1 h LYS 209 CO -0.13 0.97 0.12 0.77 -2.27 0.00 0.00 179.45 178.90 3ea1 h SER 210 N 0.99 0.89 -0.24 4.20 0.02 -0.43 0.22 113.55 119.20 3ea1 h SER 210 Ca 0.20 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3ea1 h SER 210 Cb 0.39 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ea1 h SER 210 CO 0.01 0.88 0.07 0.40 -1.14 0.00 0.00 176.83 177.04 3ea1 h ILE 211 N 0.90 1.20 -0.52 3.27 2.04 -1.03 -2.06 117.51 121.30 3ea1 h ILE 211 Ca 0.19 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3ea1 h ILE 211 Cb 0.36 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3ea1 h ILE 211 CO 0.00 0.21 0.14 0.11 0.00 0.00 0.00 178.15 178.61 3ea1 h LYS 212 N 0.21 0.83 -0.27 2.37 1.57 -1.08 -0.68 116.57 119.52 3ea1 h LYS 212 Ca 0.08 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3ea1 h LYS 212 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3ea1 h LYS 212 CO -0.00 0.79 0.15 -0.44 -0.57 0.00 0.00 179.45 179.37 3ea1 h ASP 213 N 0.73 0.34 -0.12 0.86 3.32 -0.51 0.17 116.42 121.22 3ea1 h ASP 213 Ca 0.17 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3ea1 h ASP 213 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3ea1 h ASP 213 CO 0.00 0.34 -0.25 0.74 -1.72 0.00 0.00 179.24 178.35 3ea1 h THR 214 N 0.32 1.27 -0.24 0.35 2.02 -1.29 -1.97 112.91 113.36 3ea1 h THR 214 Ca 0.10 -1.30 -0.15 0.00 0.77 0.00 0.00 66.41 65.83 3ea1 h THR 214 Cb 0.07 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3ea1 h THR 214 CO -0.01 0.42 -0.45 -0.03 0.37 0.00 0.00 175.52 175.82 3ea1 h MET 215 N 0.50 0.62 -0.89 6.66 1.85 -0.84 -1.52 114.93 121.30 3ea1 h MET 215 Ca 0.07 -0.34 -0.01 0.00 -0.61 0.00 0.00 59.70 58.81 3ea1 h MET 215 Cb 0.69 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.70 3ea1 h MET 215 CO 0.05 0.94 0.51 -0.44 -0.40 0.00 0.00 176.91 177.57 3ea1 h ASP 216 N 0.50 1.10 -0.32 1.39 3.32 -0.35 0.82 116.42 122.87 3ea1 h ASP 216 Ca 0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3ea1 h ASP 216 Cb 0.97 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3ea1 h ASP 216 CO 0.09 0.87 0.07 -0.08 -1.72 0.00 0.00 179.24 178.47 3ea1 h GLU 217 N 1.25 0.51 -0.32 3.56 4.81 -1.09 -2.65 114.58 120.64 3ea1 h GLU 217 Ca 0.32 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3ea1 h GLU 217 Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3ea1 h GLU 217 CO -0.05 0.58 0.19 1.15 -0.73 0.00 0.00 179.01 180.14 3ea1 h THR 218 N 0.35 1.03 -0.17 0.32 2.02 -0.63 -2.62 112.91 113.21 3ea1 h THR 218 Ca 0.10 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3ea1 h THR 218 Cb 0.30 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ea1 h THR 218 CO 0.00 0.07 0.11 0.24 0.37 0.00 0.00 175.52 176.31 3ea1 h MET 219 N 0.38 0.22 -0.64 6.66 2.86 -0.75 -2.00 114.93 121.67 3ea1 h MET 219 Ca 0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3ea1 h MET 219 Cb 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3ea1 h MET 219 CO -0.06 0.15 0.00 0.09 1.06 0.00 0.00 176.91 178.15 3ea1 n ASN 220 N -4.51 4.20 -2.77 1.22 3.02 -1.01 -4.03 115.26 111.38 3ea1 n ASN 220 Ca -0.00 -2.42 -0.04 0.00 -0.03 0.00 0.00 54.58 52.09 3ea1 n ASN 220 Cb 0.08 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 38.75 3ea1 n ASN 220 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ea1 n ASN 221 N 0.88 1.43 0.25 6.41 5.15 -0.76 -4.95 115.26 123.67 3ea1 n ASN 221 Ca 0.22 -2.29 0.11 0.00 -0.60 0.00 0.00 54.58 52.02 3ea1 n ASN 221 Cb 0.81 -0.46 0.65 0.00 -0.53 0.00 0.00 39.78 40.24 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 2.73 0.00 -0.12 1.20 4.64 -1.69 -3.07 113.55 117.24 3ea1 h SER 222 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3ea1 h SER 222 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3ea1 h SER 222 CO 0.29 0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.79 3ea1 n GLU 223 N -3.63 1.91 -2.60 4.77 4.71 -1.26 -4.74 120.64 119.81 3ea1 n GLU 223 Ca -0.01 -1.35 -0.42 0.00 -0.01 0.00 0.00 57.16 55.37 3ea1 n GLU 223 Cb 0.28 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 29.24 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 -1.77 6.59 0.52 1.62 -1.08 -1.16 -4.85 116.67 116.53 3ea1 s ASP 224 Ca 0.34 -1.72 0.25 0.00 -0.52 0.00 0.00 52.55 50.91 3ea1 s ASP 224 Cb 0.20 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.51 3ea1 s ASP 224 CO 0.30 -1.40 2.08 -0.07 0.52 0.00 0.00 175.17 176.61 3ea1 h LEU 225 N 12.54 0.00 -3.51 -1.34 3.38 -1.90 -2.87 115.31 121.62 3ea1 h LEU 225 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ea1 h LEU 225 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3ea1 h LEU 225 CO 1.41 0.11 0.00 -0.46 0.09 0.00 0.00 178.44 179.60 3ea1 n ASN 226 N -3.83 5.36 -4.62 -0.43 2.04 -1.26 -4.34 115.26 108.18 3ea1 n ASN 226 Ca -0.02 -2.95 -0.34 0.00 -0.44 0.00 0.00 54.58 50.82 3ea1 n ASN 226 Cb 0.21 -0.66 -0.10 0.00 -2.53 0.00 0.00 39.78 36.70 3ea1 n ASN 226 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 3ea1 s HIS 227 N -2.79 3.17 -0.20 -2.53 2.46 -1.08 -0.88 115.29 113.43 3ea1 s HIS 227 Ca 0.52 0.01 -0.04 0.00 0.47 0.00 0.00 55.06 56.03 3ea1 s HIS 227 Cb 0.40 -1.95 -0.01 0.00 -0.13 0.00 0.00 32.58 30.89 3ea1 s HIS 227 CO 0.14 0.21 -0.04 -1.17 -2.47 0.00 0.00 174.74 171.42 3ea1 s LEU 228 N -0.06 2.98 -0.22 8.88 2.96 0.19 -4.52 118.68 128.89 3ea1 s LEU 228 Ca 0.04 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3ea1 s LEU 228 Cb -0.13 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3ea1 s LEU 228 CO 0.02 0.02 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.69 3ea1 s TYR 229 N 1.22 2.94 -0.21 5.38 2.02 -1.26 -0.24 117.35 127.21 3ea1 s TYR 229 Ca 0.03 -1.16 -0.00 0.00 -0.37 0.00 0.00 57.07 55.56 3ea1 s TYR 229 Cb -0.14 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3ea1 s TYR 229 CO -0.01 -0.62 -0.14 0.42 -1.57 0.00 0.00 175.55 173.63 3ea1 s ILE 230 N 1.42 2.50 -0.29 2.71 1.01 -0.34 -0.55 121.20 127.66 3ea1 s ILE 230 Ca 0.05 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3ea1 s ILE 230 Cb -0.14 -2.14 0.08 0.00 0.01 0.00 0.00 42.46 40.27 3ea1 s ILE 230 CO -0.05 0.42 -0.03 0.21 0.00 0.00 0.00 174.94 175.49 3ea1 s ASN 231 N 1.33 4.49 -0.31 3.58 3.84 0.75 -1.11 114.94 127.50 3ea1 s ASN 231 Ca 0.03 -1.69 -0.24 0.00 0.21 0.00 0.00 52.86 51.17 3ea1 s ASN 231 Cb -0.14 -1.50 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 3ea1 s ASN 231 CO -0.09 -0.28 0.82 -0.36 -2.79 0.00 0.00 177.10 174.40 3ea1 s PHE 232 N 1.08 3.19 -0.90 0.43 0.40 -0.76 -1.25 117.98 120.17 3ea1 s PHE 232 Ca 0.00 0.85 0.25 0.00 -0.60 0.00 0.00 56.93 57.44 3ea1 s PHE 232 Cb -0.19 -3.28 0.52 0.00 0.51 0.00 0.00 43.02 40.57 3ea1 s PHE 232 CO -0.07 -0.60 1.43 0.25 0.70 0.00 0.00 175.22 176.93 3ea1 n THR 233 N 5.58 0.10 -2.18 0.64 -2.24 -0.15 -4.84 114.28 111.20 3ea1 n THR 233 Ca 0.05 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 3ea1 n THR 233 Cb 0.48 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.34 5.57 -0.02 3.42 1.04 -1.24 -4.86 113.70 114.27 3ea1 s SER 234 Ca 0.10 2.26 0.01 0.00 0.48 0.00 0.00 55.95 58.80 3ea1 s SER 234 Cb 0.16 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3ea1 s SER 234 CO 0.69 -1.33 -0.03 -0.22 0.98 0.00 0.00 173.24 173.33 3ea1 s LEU 235 N -3.85 1.65 0.67 2.42 2.96 -1.26 -4.73 118.68 116.54 3ea1 s LEU 235 Ca 0.74 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.42 3ea1 s LEU 235 Cb -0.26 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.18 3ea1 s LEU 235 CO 0.29 -0.01 1.18 -0.94 -1.32 0.00 0.00 176.35 175.55 3ea1 s SER 236 N 0.39 4.71 0.46 3.68 1.04 0.49 -4.42 113.70 120.06 3ea1 s SER 236 Ca -0.04 2.27 -0.23 0.00 0.48 0.00 0.00 55.95 58.43 3ea1 s SER 236 Cb -0.07 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 3ea1 s SER 236 CO -0.01 -1.91 1.17 -0.55 0.98 0.00 0.00 173.24 172.93 3ea1 s SER 237 N -2.05 6.15 0.00 7.02 0.15 -1.26 -4.78 113.70 118.92 3ea1 s SER 237 Ca 0.73 2.32 0.23 0.00 0.70 0.00 0.00 55.95 59.93 3ea1 s SER 237 Cb -0.27 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.50 3ea1 s SER 237 CO 0.41 -0.93 1.14 0.61 1.20 0.00 0.00 173.24 175.66 3ea1 n GLY 238 N 0.46 0.17 1.18 9.45 0.00 0.13 -4.97 105.19 111.61 3ea1 n GLY 238 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.40 0.75 3.33 -0.02 0.00 -1.26 -5.02 105.19 104.39 3ea1 n GLY 239 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.39 0.98 0.49 2.61 -4.23 -1.26 -4.93 115.64 106.90 3ea1 s THR 240 Ca 0.00 -2.02 0.17 0.00 -1.18 0.00 0.00 61.69 58.66 3ea1 s THR 240 Cb 0.00 -2.40 0.24 0.00 1.34 0.00 0.00 72.50 71.68 3ea1 s THR 240 CO 0.00 -0.27 2.08 0.00 -0.54 0.00 0.00 174.62 175.89 3ea1 h ALA 241 N 2.44 1.77 -0.01 3.99 0.00 -1.97 -2.35 119.26 123.14 3ea1 h ALA 241 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ea1 h ALA 241 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ea1 h ALA 241 CO 0.64 0.12 -0.01 -2.67 0.00 0.00 0.00 179.25 177.33 3ea1 n TRP 242 N -4.32 0.00 -2.79 0.00 2.14 -1.26 -4.12 117.44 107.09 3ea1 n TRP 242 Ca -0.03 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.53 3ea1 n TRP 242 Cb 0.17 -0.01 0.07 0.00 -0.81 0.00 0.00 31.31 30.73 3ea1 n TRP 242 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 3ea1 n ASN 243 N 0.07 0.83 -4.97 -0.67 2.04 -0.92 -4.83 115.26 106.80 3ea1 n ASN 243 Ca 0.19 -2.12 -0.21 0.00 -0.44 0.00 0.00 54.58 51.99 3ea1 n ASN 243 Cb 0.34 -0.20 0.01 0.00 -2.53 0.00 0.00 39.78 37.41 3ea1 n ASN 243 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3ea1 s SER 244 N -3.12 5.77 0.51 0.53 1.04 -0.96 0.20 113.70 117.67 3ea1 s SER 244 Ca 0.23 0.08 0.17 0.00 0.48 0.00 0.00 55.95 56.91 3ea1 s SER 244 Cb 0.36 -1.31 1.24 0.00 0.10 0.00 0.00 66.02 66.41 3ea1 s SER 244 CO -0.05 -0.70 2.10 -0.65 0.98 0.00 0.00 173.24 174.91 3ea1 h PRO 245 N 0.49 0.07 0.01 4.02 0.11 -1.78 -1.66 132.00 133.27 3ea1 h PRO 245 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ea1 h PRO 245 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ea1 h PRO 245 CO 0.55 0.05 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.46 3ea1 h TYR 246 N 0.07 -0.01 -0.68 0.65 3.20 -1.93 -0.95 116.97 117.32 3ea1 h TYR 246 Ca 0.08 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3ea1 h TYR 246 Cb 0.23 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3ea1 h TYR 246 CO -0.00 0.46 0.42 0.66 -1.64 0.00 0.00 178.16 178.06 3ea1 h SER 247 N -0.49 0.68 -0.30 -2.11 4.64 -1.68 -1.11 113.55 113.18 3ea1 h SER 247 Ca -0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3ea1 h SER 247 Cb 0.47 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3ea1 h SER 247 CO 0.00 0.47 0.11 1.88 -0.87 0.00 0.00 176.83 178.42 3ea1 h TYR 248 N 0.81 0.48 -0.32 4.77 0.05 -1.33 -2.95 116.97 118.48 3ea1 h TYR 248 Ca 0.28 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.99 3ea1 h TYR 248 Cb 0.05 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3ea1 h TYR 248 CO -0.05 0.48 0.10 0.00 -1.05 0.00 0.00 178.16 177.64 3ea1 h ALA 249 N 0.95 1.57 -0.05 3.88 0.00 -0.83 -1.05 119.26 123.73 3ea1 h ALA 249 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ea1 h ALA 249 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ea1 h ALA 249 CO -0.01 0.33 0.04 0.66 0.00 0.00 0.00 179.25 180.27 3ea1 h SER 250 N 0.45 0.00 0.00 0.00 4.64 -1.02 -0.88 113.55 116.74 3ea1 h SER 250 Ca 0.11 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.12 3ea1 h SER 250 Cb 0.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 3ea1 h SER 250 CO -0.01 0.00 -2.17 -1.54 -0.87 0.00 0.00 176.83 172.24 3ea1 n SER 251 N -4.21 2.32 -0.12 4.97 3.41 -1.04 -4.51 113.62 114.43 3ea1 n SER 251 Ca -0.02 -0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.38 3ea1 n SER 251 Cb 0.14 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.00 1.26 -0.32 -1.33 2.04 -1.13 -2.51 117.51 115.51 3ea1 h ILE 252 Ca -0.46 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.47 3ea1 h ILE 252 Cb 1.73 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 3ea1 h ILE 252 CO -0.07 0.32 0.09 0.78 0.00 0.00 0.00 178.15 179.27 3ea1 h ASN 253 N 0.45 0.06 0.31 1.72 2.35 -1.39 -1.10 115.58 117.99 3ea1 h ASN 253 Ca 0.10 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3ea1 h ASN 253 Cb 0.45 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3ea1 h ASN 253 CO 0.02 0.07 -0.52 -0.65 -1.65 0.00 0.00 177.43 174.70 3ea1 h PRO 254 N 0.21 0.24 0.10 0.81 0.11 -1.77 -1.71 132.00 129.99 3ea1 h PRO 254 Ca 0.15 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3ea1 h PRO 254 Cb 0.15 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3ea1 h PRO 254 CO -0.18 0.70 -0.05 1.49 -0.21 0.00 0.00 178.00 179.76 3ea1 h GLU 255 N 0.19 -0.13 -0.36 1.05 4.57 -1.10 -1.05 114.58 117.75 3ea1 h GLU 255 Ca 0.00 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3ea1 h GLU 255 Cb 0.98 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 3ea1 h GLU 255 CO 0.08 0.16 -0.29 0.82 -1.18 0.00 0.00 179.01 178.60 3ea1 h ILE 256 N -0.42 1.28 -0.97 2.32 1.08 -1.24 -2.29 117.51 117.27 3ea1 h ILE 256 Ca -0.01 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.05 3ea1 h ILE 256 Cb 0.35 1.31 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 3ea1 h ILE 256 CO 0.02 0.47 0.64 0.00 -0.69 0.00 0.00 178.15 178.60 3ea1 h ALA 257 N 1.03 1.32 -0.28 1.87 0.00 -1.27 -1.47 119.26 120.46 3ea1 h ALA 257 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ea1 h ALA 257 Cb 0.81 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ea1 h ALA 257 CO 0.07 0.62 -0.24 -0.91 0.00 0.00 0.00 179.25 178.79 3ea1 h ASN 258 N 1.30 0.54 -0.28 0.00 2.35 -0.88 -1.32 115.58 117.29 3ea1 h ASN 258 Ca 0.36 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3ea1 h ASN 258 Cb -0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3ea1 h ASN 258 CO -0.09 0.77 0.08 0.44 -1.65 0.00 0.00 177.43 176.99 3ea1 h ASP 259 N 0.48 0.07 -0.34 5.81 3.32 -0.71 0.40 116.42 125.44 3ea1 h ASP 259 Ca 0.07 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3ea1 h ASP 259 Cb 0.67 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3ea1 h ASP 259 CO 0.05 0.07 0.01 0.40 -1.72 0.00 0.00 179.24 178.05 3ea1 h ILE 260 N 0.20 1.25 -0.61 0.35 2.04 -1.26 -1.62 117.51 117.85 3ea1 h ILE 260 Ca 0.13 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.05 3ea1 h ILE 260 Cb 0.11 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 3ea1 h ILE 260 CO -0.14 0.31 0.40 0.50 0.00 0.00 0.00 178.15 179.22 3ea1 h LYS 261 N 0.41 0.79 -0.17 2.37 3.64 -0.90 0.25 116.57 122.96 3ea1 h LYS 261 Ca 0.10 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3ea1 h LYS 261 Cb 0.44 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ea1 h LYS 261 CO 0.02 0.52 -0.19 1.96 -2.27 0.00 0.00 179.45 179.49 3ea1 h GLN 262 N 0.81 0.43 -0.02 1.90 4.20 -0.87 -3.29 115.11 118.28 3ea1 h GLN 262 Ca 0.23 -0.24 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 3ea1 h GLN 262 Cb -0.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3ea1 h GLN 262 CO -0.06 0.81 -0.76 0.87 -0.67 0.00 0.00 178.83 179.01 3ea1 h LYS 263 N 0.08 0.18 -6.22 1.46 1.57 -1.20 -3.48 116.57 108.95 3ea1 h LYS 263 Ca 0.02 -0.16 -0.43 0.00 -1.87 0.00 0.00 60.65 58.21 3ea1 h LYS 263 Cb 0.74 0.04 0.07 0.00 0.08 0.00 0.00 32.23 33.15 3ea1 h LYS 263 CO 0.05 0.86 -0.92 -1.71 -0.57 0.00 0.00 179.45 177.15 3ea1 n ASN 264 N -3.73 -4.21 -4.58 0.86 5.15 0.86 -4.97 115.26 104.63 3ea1 n ASN 264 Ca -0.03 -0.99 -0.29 0.00 -0.60 0.00 0.00 54.58 52.67 3ea1 n ASN 264 Cb 0.73 -3.46 0.13 0.00 -0.53 0.00 0.00 39.78 36.65 3ea1 n ASN 264 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ea1 s PRO 265 N -6.01 1.30 0.00 1.20 0.04 -1.26 -5.01 135.00 125.27 3ea1 s PRO 265 Ca 0.36 -0.06 0.23 0.00 0.04 0.00 0.00 61.00 61.57 3ea1 s PRO 265 Cb -0.12 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3ea1 s PRO 265 CO 0.86 -2.02 1.14 0.25 0.04 0.00 0.00 177.00 177.26 3ea1 n THR 266 N -3.57 0.00 -3.64 1.26 -2.24 -1.26 -4.71 114.28 100.11 3ea1 n THR 266 Ca 0.11 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3ea1 n THR 266 Cb 0.60 1.32 -0.07 0.00 -2.10 0.00 0.00 70.33 70.08 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 -2.35 0.70 0.00 -0.78 3.52 -1.25 -4.63 118.95 114.15 3ea1 s ARG 267 Ca 0.21 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 3ea1 s ARG 267 Cb 0.19 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.85 3ea1 s ARG 267 CO 0.50 -0.10 0.14 1.33 -0.81 0.00 0.00 175.30 176.36 3ea1 n VAL 268 N 3.13 0.00 -2.23 7.11 0.24 -1.26 -3.54 118.33 121.78 3ea1 n VAL 268 Ca -0.16 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3ea1 n VAL 268 Cb 0.56 1.51 0.00 0.00 -1.47 0.00 0.00 33.84 34.44 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 0.07 -1.84 3.43 7.63 0.00 -1.26 -4.73 105.19 108.50 3ea1 n GLY 269 Ca 0.00 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 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 3.08 -0.48 1.61 0.52 0.29 -1.74 118.94 122.22 3ea1 s TRP 270 Ca 0.00 -0.64 -0.16 0.00 0.02 0.00 0.00 56.10 55.32 3ea1 s TRP 270 Cb 0.00 -3.51 0.07 0.00 -1.15 0.00 0.00 33.47 28.88 3ea1 s TRP 270 CO 0.00 -1.01 0.43 0.08 0.02 0.00 0.00 176.95 176.46 3ea1 s VAL 271 N 2.46 5.19 -0.40 4.03 1.01 -0.52 -0.18 120.40 131.99 3ea1 s VAL 271 Ca 0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3ea1 s VAL 271 Cb -0.20 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3ea1 s VAL 271 CO 0.11 -0.61 0.55 -0.63 0.00 0.00 0.00 175.10 174.52 3ea1 s ILE 272 N 1.78 4.95 0.35 2.22 -1.09 -0.38 -0.91 121.20 128.12 3ea1 s ILE 272 Ca 0.06 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.68 3ea1 s ILE 272 Cb -0.24 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 3ea1 s ILE 272 CO 0.07 -0.41 -0.00 0.00 -1.23 0.00 0.00 174.94 173.37 3ea1 s GLN 273 N 2.51 2.02 0.33 2.79 -2.07 -0.06 -0.98 119.66 124.21 3ea1 s GLN 273 Ca 0.19 -1.83 0.02 0.00 -1.82 0.00 0.00 55.36 51.92 3ea1 s GLN 273 Cb -0.15 -1.86 -0.03 0.00 -1.09 0.00 0.00 33.01 29.88 3ea1 s GLN 273 CO 0.16 0.10 0.51 -0.51 -1.32 0.00 0.00 175.29 174.23 3ea1 s ASP 274 N -3.70 6.22 -0.84 12.60 1.01 -1.26 -0.77 116.67 129.93 3ea1 s ASP 274 Ca 0.35 0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.86 3ea1 s ASP 274 Cb 0.02 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 42.08 3ea1 s ASP 274 CO 0.19 -0.29 0.59 -1.22 0.21 0.00 0.00 175.17 174.65 3ea1 n TYR 275 N -1.71 -1.92 -2.39 4.23 4.02 0.29 -4.90 117.16 114.78 3ea1 n TYR 275 Ca -0.05 0.75 -0.42 0.00 -0.01 0.00 0.00 57.90 58.17 3ea1 n TYR 275 Cb 0.57 -2.67 -0.03 0.00 -0.02 0.00 0.00 39.34 37.18 3ea1 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ea1 s ILE 276 N -3.01 4.01 0.07 -0.72 1.01 -1.26 -4.93 121.20 116.37 3ea1 s ILE 276 Ca 0.04 1.41 -0.06 0.00 0.00 0.00 0.00 60.65 62.03 3ea1 s ILE 276 Cb -0.02 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.57 3ea1 s ILE 276 CO 0.88 0.06 0.31 -0.46 0.00 0.00 0.00 174.94 175.73 3ea1 n ASN 277 N 4.55 -0.58 -1.28 3.58 0.23 -1.26 -4.74 115.26 115.76 3ea1 n ASN 277 Ca 0.10 -1.33 -0.08 0.00 -0.53 0.00 0.00 54.58 52.74 3ea1 n ASN 277 Cb 0.46 0.95 0.13 0.00 -2.08 0.00 0.00 39.78 39.24 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 -0.21 2.43 0.00 -3.83 1.02 -1.26 -4.70 120.64 114.08 3ea1 n GLU 278 Ca -0.01 -3.62 -0.10 0.00 -0.02 0.00 0.00 57.16 53.41 3ea1 n GLU 278 Cb 0.18 -1.92 -0.14 0.00 -0.02 0.00 0.00 31.44 29.55 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 1.48 0.05 -5.33 3.49 3.64 -1.96 -3.46 116.57 114.47 3ea1 h LYS 279 Ca 0.19 -0.08 -0.67 0.00 -1.27 0.00 0.00 60.65 58.82 3ea1 h LYS 279 Cb 1.29 0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 32.84 3ea1 h LYS 279 CO 0.40 0.71 -0.82 -1.58 -2.27 0.00 0.00 179.45 175.89 3ea1 s TRP 280 N -2.62 2.69 -0.03 1.91 0.51 -1.26 -5.12 118.94 115.03 3ea1 s TRP 280 Ca -0.06 -0.83 0.04 0.00 -2.12 0.00 0.00 56.10 53.13 3ea1 s TRP 280 Cb 0.08 -1.78 -0.03 0.00 -0.81 0.00 0.00 33.47 30.93 3ea1 s TRP 280 CO 0.82 -0.31 -0.13 0.45 -0.51 0.00 0.00 176.95 177.28 3ea1 s SER 281 N 0.34 4.15 0.66 2.95 0.15 -1.26 -3.61 113.70 117.08 3ea1 s SER 281 Ca -0.15 -0.21 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 3ea1 s SER 281 Cb -0.17 -0.88 -0.00 0.00 -1.71 0.00 0.00 66.02 63.26 3ea1 s SER 281 CO 0.07 0.32 1.12 -2.84 1.20 0.00 0.00 173.24 173.11 3ea1 s PRO 282 N -0.96 2.78 -0.24 5.44 0.02 -1.26 -4.89 135.00 135.88 3ea1 s PRO 282 Ca 0.13 1.42 -0.26 0.00 0.02 0.00 0.00 61.00 62.32 3ea1 s PRO 282 Cb -0.11 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 3ea1 s PRO 282 CO 0.02 -1.27 0.88 -0.51 -0.33 0.00 0.00 177.00 175.79 3ea1 s LEU 283 N -4.84 4.09 0.13 -5.54 1.43 -1.24 -4.46 118.68 108.25 3ea1 s LEU 283 Ca 0.68 1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 54.66 3ea1 s LEU 283 Cb -0.21 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 3ea1 s LEU 283 CO 0.41 -0.55 1.64 0.25 0.23 0.00 0.00 176.35 178.33 3ea1 h LEU 284 N 9.24 -0.68 -1.95 1.79 5.85 -1.85 -2.37 115.31 125.35 3ea1 h LEU 284 Ca -0.22 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3ea1 h LEU 284 Cb 1.08 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3ea1 h LEU 284 CO 0.90 -0.28 0.03 0.10 -0.34 0.00 0.00 178.44 178.85 3ea1 h TYR 285 N -0.30 0.06 -0.19 1.25 -0.00 -1.94 -1.28 116.97 114.57 3ea1 h TYR 285 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.63 3ea1 h TYR 285 Cb 0.43 -0.02 0.01 0.00 -0.00 0.00 0.00 36.73 37.15 3ea1 h TYR 285 CO -0.31 0.04 -0.63 1.96 -0.00 0.00 0.00 178.16 179.22 3ea1 h GLN 286 N 0.07 0.77 -0.18 0.10 4.20 -1.75 -1.83 115.11 116.49 3ea1 h GLN 286 Ca 0.02 -0.57 -0.10 0.00 0.06 0.00 0.00 58.65 58.06 3ea1 h GLN 286 Cb -0.01 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3ea1 h GLN 286 CO -0.00 1.19 -0.31 0.93 -0.67 0.00 0.00 178.83 179.96 3ea1 h GLU 287 N 0.49 0.35 -0.23 1.46 4.39 -0.96 -0.11 114.58 119.97 3ea1 h GLU 287 Ca -0.02 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 3ea1 h GLU 287 Cb 1.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3ea1 h GLU 287 CO 0.13 0.64 0.02 0.28 -1.16 0.00 0.00 179.01 178.92 3ea1 h VAL 288 N 0.31 1.24 -0.72 3.13 2.07 -1.20 -2.52 116.25 118.55 3ea1 h VAL 288 Ca 0.04 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3ea1 h VAL 288 Cb 0.71 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3ea1 h VAL 288 CO 0.05 0.26 0.21 0.40 0.02 0.00 0.00 177.57 178.52 3ea1 h ILE 289 N 0.18 1.26 0.00 4.57 2.04 -1.04 -2.57 117.51 121.95 3ea1 h ILE 289 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3ea1 h ILE 289 Cb 0.36 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3ea1 h ILE 289 CO 0.01 0.36 0.00 0.03 0.00 0.00 0.00 178.15 178.55 3ea1 h ARG 290 N 1.08 0.00 0.00 2.37 3.08 -0.87 -2.36 114.38 117.68 3ea1 h ARG 290 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3ea1 h ARG 290 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3ea1 h ARG 290 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3ea1 n ALA 291 N -2.05 2.19 0.68 0.04 0.00 -0.96 -2.40 120.51 118.01 3ea1 n ALA 291 Ca -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3ea1 n ALA 291 Cb 0.18 -1.27 0.26 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.94 2.84 -0.32 0.00 3.02 -0.89 -3.94 115.26 115.04 3ea1 n ASN 292 Ca 0.13 -1.90 0.14 0.00 -0.03 0.00 0.00 54.58 52.91 3ea1 n ASN 292 Cb 0.06 -0.18 0.32 0.00 -0.61 0.00 0.00 39.78 39.37 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 3.78 0.45 0.00 3.52 2.10 -1.70 -0.68 116.57 124.04 3ea1 h LYS 293 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3ea1 h LYS 293 Cb 0.83 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3ea1 h LYS 293 CO 0.00 0.30 0.00 0.66 -2.00 0.00 0.00 179.45 178.41 3ea1 h SER 294 N 0.47 0.00 1.57 7.07 4.64 -1.88 -2.84 113.55 122.57 3ea1 h SER 294 Ca 0.58 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.86 3ea1 h SER 294 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3ea1 h SER 294 CO -0.50 0.00 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.22 3ea1 h LEU 295 N 0.00 0.00 0.00 5.97 3.38 -1.46 -3.53 115.31 119.67 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 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ea1 h LEU 295 CO 0.00 0.17 0.00 -0.38 0.09 0.00 0.00 178.44 178.32