#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea2 s SER 2 N 0.00 0.49 -0.02 0.00 1.04 -1.26 -4.21 113.70 109.74 3ea2 s SER 2 Ca 0.00 -2.10 -0.03 0.00 0.48 0.00 0.00 55.95 54.30 3ea2 s SER 2 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3ea2 s SER 2 CO 0.00 -0.17 0.07 -0.55 0.98 0.00 0.00 173.24 173.57 3ea2 s SER 3 N 0.84 -0.05 0.54 7.02 0.15 -1.26 -5.02 113.70 115.92 3ea2 s SER 3 Ca 0.26 0.08 0.23 0.00 0.70 0.00 0.00 55.95 57.21 3ea2 s SER 3 Cb -0.05 0.15 1.44 0.00 -1.71 0.00 0.00 66.02 65.86 3ea2 s SER 3 CO -0.09 -0.07 2.11 0.58 1.20 0.00 0.00 173.24 176.97 3ea2 h VAL 4 N 4.95 0.77 0.00 4.45 2.07 -1.99 0.12 116.25 126.62 3ea2 h VAL 4 Ca -0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3ea2 h VAL 4 Cb 1.20 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3ea2 h VAL 4 CO 0.45 0.00 -0.09 0.78 0.02 0.00 0.00 177.57 178.73 3ea2 h ASN 5 N 0.00 0.00 0.48 0.57 -0.26 -2.02 -2.17 115.58 112.18 3ea2 h ASN 5 Ca 0.09 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3ea2 h ASN 5 Cb 0.39 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 3ea2 h ASN 5 CO -0.00 0.09 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.11 3ea2 h GLU 6 N 0.00 0.00 0.00 0.81 5.08 -1.16 -0.81 114.58 118.50 3ea2 h GLU 6 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ea2 h GLU 6 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ea2 h GLU 6 CO 0.01 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 3ea2 n LEU 7 N -3.16 0.53 -0.00 1.33 4.77 -0.82 -2.52 117.00 117.13 3ea2 n LEU 7 Ca -0.01 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3ea2 n LEU 7 Cb 0.19 -0.47 0.62 0.00 -2.33 0.00 0.00 43.42 41.43 3ea2 n LEU 7 CO 0.24 -0.32 0.95 -0.62 -1.33 0.00 0.00 177.39 176.32 3ea2 n GLU 8 N -2.04 0.04 -3.04 3.23 -0.58 -0.31 -4.51 120.64 113.43 3ea2 n GLU 8 Ca 0.04 -0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.34 3ea2 n GLU 8 Cb 0.30 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 3ea2 n GLU 8 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ea2 s ASN 9 N -2.97 6.18 0.39 1.62 3.84 -1.05 -4.91 114.94 118.05 3ea2 s ASN 9 Ca 0.15 -1.31 0.27 0.00 0.21 0.00 0.00 52.86 52.18 3ea2 s ASN 9 Cb 0.19 -2.33 1.40 0.00 -0.55 0.00 0.00 41.25 39.95 3ea2 s ASN 9 CO 0.53 -1.21 1.82 -0.50 -2.79 0.00 0.00 177.10 174.96 3ea2 h TRP 10 N 9.29 0.00 0.00 0.43 6.55 -1.83 0.36 115.95 130.76 3ea2 h TRP 10 Ca -0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.55 3ea2 h TRP 10 Cb 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 3ea2 h TRP 10 CO 0.87 0.00 -0.88 0.43 -1.05 0.00 0.00 178.44 177.82 3ea2 n SER 11 N -2.46 0.64 -1.51 -3.49 7.64 -1.26 -2.67 113.62 110.50 3ea2 n SER 11 Ca -0.01 -0.27 0.03 0.00 1.01 0.00 0.00 58.87 59.63 3ea2 n SER 11 Cb 0.09 0.64 0.01 0.00 -1.01 0.00 0.00 64.21 63.94 3ea2 n SER 11 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ea2 n LYS 12 N -1.83 0.08 0.31 1.43 5.02 -0.61 -4.84 118.16 117.71 3ea2 n LYS 12 Ca 0.03 -1.96 0.19 0.00 -2.02 0.00 0.00 58.31 54.55 3ea2 n LYS 12 Cb 0.40 -0.02 0.96 0.00 -0.02 0.00 0.00 35.03 36.36 3ea2 n LYS 12 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3ea2 h TRP 13 N 0.97 0.00 0.00 2.13 5.08 -1.14 -1.89 115.95 121.10 3ea2 h TRP 13 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3ea2 h TRP 13 Cb 1.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.99 3ea2 h TRP 13 CO 0.16 0.01 -0.06 -1.33 -1.28 0.00 0.00 178.44 175.95 3ea2 n MET 14 N -3.16 0.12 -0.06 0.12 2.81 -1.26 -4.07 117.12 111.61 3ea2 n MET 14 Ca -0.01 0.09 -0.07 0.00 -1.81 0.00 0.00 57.70 55.89 3ea2 n MET 14 Cb 0.18 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.05 3ea2 n MET 14 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3ea2 h GLN 15 N 0.00 -0.12 0.00 0.03 4.15 -1.55 -2.22 115.11 115.40 3ea2 h GLN 15 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ea2 h GLN 15 Cb 0.60 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3ea2 h GLN 15 CO 0.00 -0.08 0.00 -0.35 -1.93 0.00 0.00 178.83 176.47 3ea2 n PRO 16 N -5.32 0.11 -2.89 -2.39 -0.04 -1.26 -4.73 135.00 118.48 3ea2 n PRO 16 Ca -0.00 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 3ea2 n PRO 16 Cb 0.24 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 3ea2 n PRO 16 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ea2 s ILE 17 N -2.81 4.90 0.47 0.52 1.01 -0.83 -4.62 121.20 119.82 3ea2 s ILE 17 Ca 0.12 1.74 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 3ea2 s ILE 17 Cb 0.12 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 3ea2 s ILE 17 CO 0.30 0.24 1.24 -2.65 0.00 0.00 0.00 174.94 174.07 3ea2 n PRO 18 N 3.60 1.75 0.18 2.79 -0.02 -1.26 -4.90 135.00 137.14 3ea2 n PRO 18 Ca 0.01 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3ea2 n PRO 18 Cb 0.51 -2.38 0.73 0.00 -0.02 0.00 0.00 33.50 32.34 3ea2 n PRO 18 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ea2 h ASP 19 N 1.76 0.00 1.10 2.55 3.32 -1.94 -2.58 116.42 120.62 3ea2 h ASP 19 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ea2 h ASP 19 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3ea2 h ASP 19 CO 0.58 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.64 3ea2 n ASN 20 N -4.24 0.26 -4.69 6.45 6.94 -1.26 -0.71 115.26 118.01 3ea2 n ASN 20 Ca 0.01 0.53 -0.42 0.00 -0.02 0.00 0.00 54.58 54.68 3ea2 n ASN 20 Cb 0.28 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 3ea2 n ASN 20 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ea2 s ILE 21 N -3.04 3.77 0.40 1.53 -1.09 -0.97 -4.82 121.20 116.97 3ea2 s ILE 21 Ca 0.12 1.16 -0.26 0.00 -2.23 0.00 0.00 60.65 59.45 3ea2 s ILE 21 Cb 0.16 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 3ea2 s ILE 21 CO 0.53 0.01 1.29 -2.84 -1.23 0.00 0.00 174.94 172.70 3ea2 s PRO 22 N 2.20 4.02 0.45 2.79 0.02 -1.26 -1.51 135.00 141.71 3ea2 s PRO 22 Ca 0.63 2.13 0.18 0.00 0.02 0.00 0.00 61.00 63.95 3ea2 s PRO 22 Cb -0.31 -2.79 1.12 0.00 0.02 0.00 0.00 34.50 32.54 3ea2 s PRO 22 CO 0.26 -0.44 1.93 -0.07 -0.33 0.00 0.00 177.00 178.36 3ea2 h LEU 23 N 2.76 0.32 -1.55 -5.54 3.38 -1.09 -0.76 115.31 112.83 3ea2 h LEU 23 Ca -0.49 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.50 3ea2 h LEU 23 Cb 1.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3ea2 h LEU 23 CO 0.63 0.16 0.31 0.00 0.09 0.00 0.00 178.44 179.63 3ea2 h ALA 24 N 1.66 1.68 0.00 1.53 0.00 -1.86 -2.29 119.26 119.98 3ea2 h ALA 24 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3ea2 h ALA 24 Cb 0.90 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ea2 h ALA 24 CO -0.10 0.29 -0.42 -0.09 0.00 0.00 0.00 179.25 178.93 3ea2 h ARG 25 N 0.61 0.00 -6.93 0.00 9.65 -1.33 -3.42 114.38 112.96 3ea2 h ARG 25 Ca 0.17 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.55 3ea2 h ARG 25 Cb -0.06 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 28.57 3ea2 h ARG 25 CO -0.04 0.42 0.49 0.42 2.80 0.00 0.00 179.97 184.07 3ea2 s ILE 26 N -3.32 3.26 -0.41 1.20 1.01 -0.86 -4.88 121.20 117.19 3ea2 s ILE 26 Ca 0.02 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.52 3ea2 s ILE 26 Cb 0.09 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.98 3ea2 s ILE 26 CO 0.71 0.10 0.68 -0.44 0.00 0.00 0.00 174.94 175.98 3ea2 s SER 27 N -1.17 6.39 -0.08 3.58 0.01 -1.26 -4.52 113.70 116.64 3ea2 s SER 27 Ca 0.56 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.76 3ea2 s SER 27 Cb -0.30 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3ea2 s SER 27 CO 0.37 -0.74 -0.21 -0.63 0.41 0.00 0.00 173.24 172.43 3ea2 s ILE 28 N 2.89 1.84 0.30 1.44 1.01 -0.81 -4.50 121.20 123.37 3ea2 s ILE 28 Ca 0.25 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 3ea2 s ILE 28 Cb -0.14 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.64 3ea2 s ILE 28 CO 0.18 0.51 0.95 -2.84 0.00 0.00 0.00 174.94 173.74 3ea2 s PRO 29 N 0.30 4.67 0.10 2.79 0.02 -1.26 -1.60 135.00 140.02 3ea2 s PRO 29 Ca -0.15 1.39 -0.00 0.00 0.02 0.00 0.00 61.00 62.26 3ea2 s PRO 29 Cb -0.16 -2.96 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 3ea2 s PRO 29 CO 0.07 0.35 0.01 0.20 -0.33 0.00 0.00 177.00 177.29 3ea2 s GLY 30 N -1.46 0.81 -0.09 0.52 0.00 -0.45 -1.48 107.32 105.18 3ea2 s GLY 30 Ca 0.47 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3ea2 s GLY 30 CO 0.27 -1.38 -0.13 -0.51 0.00 0.00 0.00 173.10 171.35 3ea2 s THR 31 N -3.92 3.13 0.05 0.90 -4.23 -0.43 -0.31 115.64 110.83 3ea2 s THR 31 Ca 0.17 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.78 3ea2 s THR 31 Cb 0.07 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 3ea2 s THR 31 CO -0.03 0.56 0.68 -2.28 -0.54 0.00 0.00 174.62 173.01 3ea2 s HIS 32 N -0.28 3.76 -1.40 3.99 2.46 -0.07 -2.25 115.29 121.49 3ea2 s HIS 32 Ca 0.02 1.38 -0.04 0.00 0.47 0.00 0.00 55.06 56.89 3ea2 s HIS 32 Cb -0.13 -2.69 0.00 0.00 -0.13 0.00 0.00 32.58 29.63 3ea2 s HIS 32 CO 0.03 0.39 0.37 -0.25 -2.47 0.00 0.00 174.74 172.81 3ea2 n ASP 33 N 2.42 -0.70 -0.37 9.88 8.00 -1.24 -4.74 116.55 129.78 3ea2 n ASP 33 Ca -0.06 -1.09 0.30 0.00 0.71 0.00 0.00 54.79 54.65 3ea2 n ASP 33 Cb 0.50 -2.67 0.59 0.00 -0.02 0.00 0.00 41.12 39.52 3ea2 n ASP 33 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3ea2 h SER 34 N -1.88 0.31 -0.31 -2.24 0.02 -1.60 -2.83 113.55 105.03 3ea2 h SER 34 Ca -0.65 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3ea2 h SER 34 Cb 1.38 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3ea2 h SER 34 CO 0.62 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 3ea2 n GLY 35 N -1.53 2.03 0.43 -3.77 0.00 -1.26 -4.31 105.19 96.77 3ea2 n GLY 35 Ca 0.30 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3ea2 n GLY 35 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ea2 n THR 36 N 0.37 0.26 0.46 2.61 -2.24 -1.07 -4.40 114.28 110.28 3ea2 n THR 36 Ca 0.14 -0.30 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 3ea2 n THR 36 Cb 0.67 0.17 0.27 0.00 -2.10 0.00 0.00 70.33 69.34 3ea2 n THR 36 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3ea2 n PHE 37 N 0.13 0.00 0.81 4.78 -1.74 -1.23 -2.91 117.46 117.31 3ea2 n PHE 37 Ca 0.11 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.12 3ea2 n PHE 37 Cb 0.22 -0.42 0.16 0.00 1.52 0.00 0.00 39.48 40.96 3ea2 n PHE 37 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3ea2 n LYS 38 N -1.42 2.36 -2.19 3.97 5.02 -1.26 -4.75 118.16 119.89 3ea2 n LYS 38 Ca 0.04 -2.00 -0.41 0.00 -2.02 0.00 0.00 58.31 53.92 3ea2 n LYS 38 Cb 0.12 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3ea2 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ea2 s LEU 39 N -1.84 4.43 0.00 -0.35 1.43 -1.14 -4.90 118.68 116.31 3ea2 s LEU 39 Ca 0.32 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 3ea2 s LEU 39 Cb 0.21 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3ea2 s LEU 39 CO 0.31 -0.51 0.00 0.00 0.23 0.00 0.00 176.35 176.37 3ea2 n GLN 40 N 1.89 2.01 -1.76 1.70 6.02 -1.26 -4.92 117.38 121.05 3ea2 n GLN 40 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 3ea2 n GLN 40 Cb 0.42 -0.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.88 3ea2 n GLN 40 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3ea2 s ASN 41 N -2.26 6.49 0.22 1.08 3.04 -1.26 -4.85 114.94 117.39 3ea2 s ASN 41 Ca 0.00 2.62 -0.15 0.00 0.04 0.00 0.00 52.86 55.37 3ea2 s ASN 41 Cb 0.00 -2.55 0.24 0.00 -1.54 0.00 0.00 41.25 37.40 3ea2 s ASN 41 CO 0.00 -1.00 1.59 -0.65 -3.04 0.00 0.00 177.10 174.00 3ea2 h PRO 42 N 9.55 -0.06 -0.90 0.43 0.11 -1.99 0.95 132.00 140.08 3ea2 h PRO 42 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3ea2 h PRO 42 Cb 1.22 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3ea2 h PRO 42 CO 0.94 -0.04 0.58 0.97 -0.21 0.00 0.00 178.00 180.24 3ea2 h ILE 43 N -0.06 1.11 -0.30 4.15 2.10 -2.00 -1.89 117.51 120.62 3ea2 h ILE 43 Ca 0.31 -0.37 -0.12 0.00 1.08 0.00 0.00 64.86 65.76 3ea2 h ILE 43 Cb 0.55 -0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 36.20 3ea2 h ILE 43 CO -0.75 0.20 -0.28 0.11 -1.08 0.00 0.00 178.15 176.35 3ea2 h LYS 44 N 1.09 0.71 0.46 2.19 1.57 -1.50 -3.17 116.57 117.93 3ea2 h LYS 44 Ca 0.38 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3ea2 h LYS 44 Cb 0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ea2 h LYS 44 CO -0.14 0.98 -0.22 1.96 -0.57 0.00 0.00 179.45 181.46 3ea2 h GLN 45 N 0.46 -0.59 -0.28 3.15 4.20 -0.50 0.88 115.11 122.43 3ea2 h GLN 45 Ca 0.05 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3ea2 h GLN 45 Cb 0.85 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 3ea2 h GLN 45 CO 0.07 -0.39 0.23 -0.39 -0.67 0.00 0.00 178.83 177.68 3ea2 h VAL 46 N -0.62 0.69 0.05 -0.54 -1.51 -1.45 -0.65 116.25 112.22 3ea2 h VAL 46 Ca -0.06 0.00 -0.31 0.00 -1.23 0.00 0.00 66.70 65.09 3ea2 h VAL 46 Cb 0.47 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.43 3ea2 h VAL 46 CO 0.10 0.00 -1.73 0.79 -1.23 0.00 0.00 177.57 175.50 3ea2 n TRP 47 N -4.18 0.96 -0.27 5.19 7.02 -1.09 -4.35 117.44 120.72 3ea2 n TRP 47 Ca 0.04 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 3ea2 n TRP 47 Cb 0.39 -1.11 0.00 0.00 -2.42 0.00 0.00 31.31 28.17 3ea2 n TRP 47 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ea2 n GLY 48 N 1.67 -0.12 3.72 6.99 0.00 0.28 -4.42 105.19 113.32 3ea2 n GLY 48 Ca -0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 3ea2 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ea2 s MET 49 N -0.23 4.62 0.00 1.61 0.00 -0.26 -4.91 119.30 120.13 3ea2 s MET 49 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 55.69 57.09 3ea2 s MET 49 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 34.83 31.41 3ea2 s MET 49 CO 0.00 0.09 0.00 0.25 0.00 0.00 0.00 175.02 175.36 3ea2 n THR 50 N 3.31 0.00 -3.86 10.11 -2.24 -1.26 -4.62 114.28 115.72 3ea2 n THR 50 Ca 0.04 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 3ea2 n THR 50 Cb 0.50 0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 3ea2 n THR 50 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ea2 s GLN 51 N -0.69 0.14 -0.02 -0.78 -1.52 -1.26 0.68 119.66 116.22 3ea2 s GLN 51 Ca 0.00 -0.01 0.18 0.00 -1.95 0.00 0.00 55.36 53.58 3ea2 s GLN 51 Cb 0.00 0.06 -0.20 0.00 -0.22 0.00 0.00 33.01 32.65 3ea2 s GLN 51 CO 0.00 -0.02 0.57 0.39 -0.25 0.00 0.00 175.29 175.97 3ea2 n GLU 52 N 2.76 0.65 -4.29 2.91 1.02 -1.26 -3.54 120.64 118.89 3ea2 n GLU 52 Ca -0.14 0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.83 3ea2 n GLU 52 Cb 0.59 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.25 3ea2 n GLU 52 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ea2 s TYR 53 N -2.94 2.68 1.16 -0.32 2.02 -1.26 -4.89 117.35 113.79 3ea2 s TYR 53 Ca -0.06 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.24 3ea2 s TYR 53 Cb 0.09 -1.23 0.27 0.00 -0.40 0.00 0.00 41.96 40.69 3ea2 s TYR 53 CO 0.84 0.58 1.17 0.16 -1.57 0.00 0.00 175.55 176.73 3ea2 s ASP 54 N -3.36 1.34 0.23 2.29 1.47 -1.26 -4.70 116.67 112.68 3ea2 s ASP 54 Ca 0.29 0.50 -0.06 0.00 1.18 0.00 0.00 52.55 54.46 3ea2 s ASP 54 Cb -0.07 -0.66 0.33 0.00 -0.34 0.00 0.00 42.92 42.18 3ea2 s ASP 54 CO 0.18 -3.85 1.82 -0.26 0.68 0.00 0.00 175.17 173.74 3ea2 h PHE 55 N -2.40 0.84 -0.53 2.11 0.04 -2.00 -1.83 116.94 113.17 3ea2 h PHE 55 Ca -0.44 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.27 3ea2 h PHE 55 Cb 1.27 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 39.14 3ea2 h PHE 55 CO -2.06 0.38 -0.03 -0.09 -0.60 0.00 0.00 178.31 175.92 3ea2 h ARG 56 N 0.81 0.91 -0.47 1.51 9.65 -1.93 -0.40 114.38 124.46 3ea2 h ARG 56 Ca 0.36 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3ea2 h ARG 56 Cb 0.25 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 3ea2 h ARG 56 CO -0.21 0.92 0.18 -0.92 2.80 0.00 0.00 179.97 182.75 3ea2 h TYR 57 N 0.84 0.73 -0.39 2.20 5.03 -1.82 0.19 116.97 123.75 3ea2 h TYR 57 Ca 0.15 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.41 3ea2 h TYR 57 Cb 0.53 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.57 3ea2 h TYR 57 CO 0.03 0.62 0.25 1.96 -1.32 0.00 0.00 178.16 179.70 3ea2 h GLN 58 N 0.63 0.49 -0.46 1.82 4.20 -0.92 -1.85 115.11 119.01 3ea2 h GLN 58 Ca 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3ea2 h GLN 58 Cb 0.20 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3ea2 h GLN 58 CO -0.01 0.32 0.08 0.52 -0.67 0.00 0.00 178.83 179.07 3ea2 h MET 59 N 0.50 0.76 0.00 1.46 2.86 -0.80 -1.73 114.93 117.98 3ea2 h MET 59 Ca 0.15 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ea2 h MET 59 Cb -0.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3ea2 h MET 59 CO -0.05 0.78 0.00 -0.25 1.06 0.00 0.00 176.91 178.45 3ea2 n ASP 60 N -4.46 0.00 -1.24 1.22 8.00 0.64 -1.79 116.55 118.92 3ea2 n ASP 60 Ca 0.01 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 3ea2 n ASP 60 Cb 0.24 -0.27 0.23 0.00 -0.02 0.00 0.00 41.12 41.31 3ea2 n ASP 60 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ea2 n HIS 61 N -1.27 1.35 -0.02 1.24 8.25 -0.72 -4.26 115.22 119.80 3ea2 n HIS 61 Ca 0.08 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.24 3ea2 n HIS 61 Cb 0.12 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3ea2 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ea2 n GLY 62 N -0.78 2.02 3.70 -1.41 0.00 -0.74 -4.85 105.19 103.12 3ea2 n GLY 62 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 3ea2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea2 s ALA 63 N -2.70 3.60 0.00 4.61 0.00 -0.72 -4.44 121.76 122.12 3ea2 s ALA 63 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3ea2 s ALA 63 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3ea2 s ALA 63 CO 0.00 -0.76 0.00 0.54 0.00 0.00 0.00 175.76 175.54 3ea2 n ARG 64 N 4.57 5.23 -4.75 0.00 5.12 -0.55 -4.23 116.66 122.05 3ea2 n ARG 64 Ca 0.13 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.72 3ea2 n ARG 64 Cb 0.42 -0.61 -0.14 0.00 -1.16 0.00 0.00 32.46 30.98 3ea2 n ARG 64 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ea2 s ILE 65 N -1.21 3.14 -0.08 0.55 1.01 -1.11 0.44 121.20 123.93 3ea2 s ILE 65 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3ea2 s ILE 65 Cb 0.00 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3ea2 s ILE 65 CO 0.00 0.53 -0.17 -0.36 0.00 0.00 0.00 174.94 174.94 3ea2 s PHE 66 N 0.26 1.91 -0.92 3.97 0.40 -0.03 -1.32 117.98 122.25 3ea2 s PHE 66 Ca -0.09 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.32 3ea2 s PHE 66 Cb -0.15 -1.33 0.15 0.00 0.51 0.00 0.00 43.02 42.19 3ea2 s PHE 66 CO 0.05 -0.34 1.07 0.34 0.70 0.00 0.00 175.22 177.05 3ea2 s ASP 67 N 0.53 6.67 -0.21 1.36 2.15 -0.96 -0.81 116.67 125.41 3ea2 s ASP 67 Ca -0.16 -2.20 -0.16 0.00 0.43 0.00 0.00 52.55 50.46 3ea2 s ASP 67 Cb -0.17 -2.36 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3ea2 s ASP 67 CO 0.06 -0.96 0.42 -0.63 -0.17 0.00 0.00 175.17 173.89 3ea2 s ILE 68 N 2.18 5.17 -0.24 4.11 -1.09 -0.54 -2.32 121.20 128.47 3ea2 s ILE 68 Ca 0.30 0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 59.44 3ea2 s ILE 68 Cb -0.06 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3ea2 s ILE 68 CO -0.09 0.22 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.67 3ea2 s ARG 69 N 1.50 3.06 0.37 2.79 1.81 -1.26 -1.75 118.95 125.47 3ea2 s ARG 69 Ca 0.20 -0.84 0.07 0.00 -1.72 0.00 0.00 55.73 53.44 3ea2 s ARG 69 Cb -0.15 -3.02 -0.07 0.00 -0.45 0.00 0.00 34.95 31.26 3ea2 s ARG 69 CO 0.08 -0.33 -0.02 0.20 -0.68 0.00 0.00 175.30 174.55 3ea2 s GLY 70 N 1.40 2.33 -0.00 -3.53 0.00 -0.16 -1.37 107.32 105.98 3ea2 s GLY 70 Ca 0.03 -2.19 0.02 0.00 0.00 0.00 0.00 44.72 42.57 3ea2 s GLY 70 CO -0.04 -2.03 -0.05 -1.60 0.00 0.00 0.00 173.10 169.38 3ea2 s ARG 71 N -3.70 0.40 -0.03 2.90 3.52 0.74 -0.48 118.95 122.30 3ea2 s ARG 71 Ca 0.34 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.48 3ea2 s ARG 71 Cb 0.07 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.05 3ea2 s ARG 71 CO 0.17 0.10 0.89 -1.17 -0.81 0.00 0.00 175.30 174.48 3ea2 s LEU 72 N -0.14 4.34 0.51 -0.88 0.20 -1.26 -1.63 118.68 119.83 3ea2 s LEU 72 Ca 0.02 1.49 0.08 0.00 0.69 0.00 0.00 54.13 56.41 3ea2 s LEU 72 Cb -0.02 -3.41 0.05 0.00 -0.43 0.00 0.00 46.19 42.39 3ea2 s LEU 72 CO -0.00 -0.23 0.70 0.42 -0.29 0.00 0.00 176.35 176.95 3ea2 s THR 73 N 1.03 2.53 -0.51 3.68 -4.23 0.07 -1.34 115.64 116.86 3ea2 s THR 73 Ca 0.47 -0.97 0.08 0.00 -1.18 0.00 0.00 61.69 60.09 3ea2 s THR 73 Cb -0.20 -2.55 0.51 0.00 1.34 0.00 0.00 72.50 71.60 3ea2 s THR 73 CO 0.24 0.00 1.30 -0.90 -0.54 0.00 0.00 174.62 174.72 3ea2 n ASP 74 N -2.10 3.95 -0.47 3.99 5.68 -1.26 -3.63 116.55 122.71 3ea2 n ASP 74 Ca 0.12 -2.61 0.04 0.00 -0.50 0.00 0.00 54.79 51.85 3ea2 n ASP 74 Cb 0.60 -0.62 0.12 0.00 -1.14 0.00 0.00 41.12 40.08 3ea2 n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ea2 n ASP 75 N 0.34 2.74 -1.17 -1.12 2.03 -1.26 -4.88 116.55 113.23 3ea2 n ASP 75 Ca 0.18 -2.11 -0.11 0.00 0.52 0.00 0.00 54.79 53.27 3ea2 n ASP 75 Cb 0.87 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 3ea2 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ea2 n ASN 76 N 0.11 -3.81 -4.27 1.67 3.02 -1.24 -5.01 115.26 105.74 3ea2 n ASN 76 Ca 0.09 0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 3ea2 n ASN 76 Cb 0.42 -2.86 -0.10 0.00 -0.61 0.00 0.00 39.78 36.63 3ea2 n ASN 76 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ea2 s THR 77 N -2.52 0.55 -0.16 3.41 -4.23 -1.26 -5.01 115.64 106.42 3ea2 s THR 77 Ca 0.00 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3ea2 s THR 77 Cb 0.00 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.45 3ea2 s THR 77 CO 0.00 -0.21 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.04 3ea2 s ILE 78 N -3.75 2.20 0.22 2.99 1.01 -1.26 -0.75 121.20 121.85 3ea2 s ILE 78 Ca 0.32 -0.92 0.11 0.00 0.00 0.00 0.00 60.65 60.16 3ea2 s ILE 78 Cb 0.07 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3ea2 s ILE 78 CO 0.09 0.54 -0.19 0.68 0.00 0.00 0.00 174.94 176.06 3ea2 s VAL 79 N 0.98 2.62 0.22 2.92 -7.23 -0.64 -1.60 120.40 117.66 3ea2 s VAL 79 Ca -0.03 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 57.81 3ea2 s VAL 79 Cb -0.15 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 3ea2 s VAL 79 CO -0.05 -0.20 0.91 -0.76 -0.31 0.00 0.00 175.10 174.68 3ea2 s LEU 80 N -2.98 4.63 0.15 1.32 1.43 -0.17 -0.18 118.68 122.88 3ea2 s LEU 80 Ca 0.25 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3ea2 s LEU 80 Cb -0.07 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3ea2 s LEU 80 CO 0.13 0.16 0.03 -1.00 0.23 0.00 0.00 176.35 175.90 3ea2 s HIS 81 N -1.12 1.02 -0.34 0.29 3.76 -0.47 -1.31 115.29 117.11 3ea2 s HIS 81 Ca 0.40 -1.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.17 3ea2 s HIS 81 Cb -0.25 -0.58 0.12 0.00 1.11 0.00 0.00 32.58 32.97 3ea2 s HIS 81 CO 0.31 -0.37 0.16 -1.58 -0.85 0.00 0.00 174.74 172.40 3ea2 s HIS 82 N -3.86 1.33 0.00 1.40 2.46 -0.51 -4.65 115.29 111.46 3ea2 s HIS 82 Ca 0.24 -1.71 0.00 0.00 0.47 0.00 0.00 55.06 54.05 3ea2 s HIS 82 Cb 0.07 -1.45 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 3ea2 s HIS 82 CO 0.02 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.87 3ea2 n GLY 83 N 4.48 2.88 0.05 1.59 0.00 -1.26 -1.78 105.19 111.14 3ea2 n GLY 83 Ca 0.02 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.92 3ea2 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ea2 n PRO 84 N 13.63 0.81 -3.23 1.61 -0.04 -1.26 -4.56 135.00 141.97 3ea2 n PRO 84 Ca 0.00 -0.10 -0.39 0.00 -0.04 0.00 0.00 63.50 62.97 3ea2 n PRO 84 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3ea2 n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ea2 s LEU 85 N -2.26 4.18 0.19 1.53 2.01 -0.74 -5.05 118.68 118.55 3ea2 s LEU 85 Ca 0.38 0.76 -0.30 0.00 0.01 0.00 0.00 54.13 54.98 3ea2 s LEU 85 Cb 0.21 -2.75 -0.08 0.00 0.01 0.00 0.00 46.19 43.58 3ea2 s LEU 85 CO 0.41 -0.15 1.12 -0.47 1.01 0.00 0.00 176.35 178.27 3ea2 s TYR 86 N 1.43 3.56 -2.40 0.29 5.04 -1.26 -1.42 117.35 122.59 3ea2 s TYR 86 Ca 0.26 1.57 0.22 0.00 -2.44 0.00 0.00 57.07 56.68 3ea2 s TYR 86 Cb -0.16 -3.31 0.58 0.00 0.35 0.00 0.00 41.96 39.43 3ea2 s TYR 86 CO 0.10 -0.72 1.47 1.28 -1.34 0.00 0.00 175.55 176.34 3ea2 n LEU 87 N 2.28 2.48 -1.03 6.97 4.77 -0.43 -4.93 117.00 127.10 3ea2 n LEU 87 Ca 0.03 -1.04 -0.13 0.00 -0.03 0.00 0.00 56.01 54.84 3ea2 n LEU 87 Cb 0.46 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3ea2 n LEU 87 CO 0.54 0.52 -0.13 -1.22 -1.33 0.00 0.00 177.39 175.77 3ea2 n TYR 88 N 0.86 -0.03 -4.24 -1.77 4.02 -1.26 -4.55 117.16 110.19 3ea2 n TYR 88 Ca 0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.90 3ea2 n TYR 88 Cb 0.46 -2.40 -0.14 0.00 -0.02 0.00 0.00 39.34 37.24 3ea2 n TYR 88 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3ea2 s VAL 89 N -2.50 0.65 0.33 -0.72 1.01 -1.26 -5.05 120.40 112.86 3ea2 s VAL 89 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3ea2 s VAL 89 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3ea2 s VAL 89 CO 0.00 0.02 0.14 0.42 0.00 0.00 0.00 175.10 175.68 3ea2 s THR 90 N -0.53 3.07 0.21 3.92 -4.23 -1.26 -1.00 115.64 115.82 3ea2 s THR 90 Ca -0.00 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.76 3ea2 s THR 90 Cb -0.05 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.86 3ea2 s THR 90 CO 0.00 -0.20 1.64 0.25 -0.54 0.00 0.00 174.62 175.77 3ea2 h LEU 91 N 1.56 0.85 -0.81 4.79 5.85 -1.62 -2.44 115.31 123.50 3ea2 h LEU 91 Ca -0.44 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.05 3ea2 h LEU 91 Cb 1.25 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3ea2 h LEU 91 CO 0.63 1.01 0.50 -0.74 -0.34 0.00 0.00 178.44 179.49 3ea2 h HIS 92 N 0.75 0.92 -0.61 1.25 2.76 -1.96 -1.32 115.15 116.94 3ea2 h HIS 92 Ca 0.11 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3ea2 h HIS 92 Cb 0.68 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3ea2 h HIS 92 CO 0.04 0.47 0.36 0.93 -1.30 0.00 0.00 177.93 178.42 3ea2 h GLU 93 N 0.91 0.83 -0.09 5.26 5.08 -1.84 -0.81 114.58 123.92 3ea2 h GLU 93 Ca 0.35 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3ea2 h GLU 93 Cb 0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ea2 h GLU 93 CO -0.17 0.60 0.03 0.35 -1.00 0.00 0.00 179.01 178.82 3ea2 h PHE 94 N 0.82 0.14 -0.87 4.33 3.57 -1.02 -2.26 116.94 121.65 3ea2 h PHE 94 Ca 0.22 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3ea2 h PHE 94 Cb -0.01 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3ea2 h PHE 94 CO -0.02 0.27 0.55 0.82 -2.23 0.00 0.00 178.31 177.70 3ea2 h ILE 95 N -0.03 1.07 -0.56 1.41 2.04 -1.04 -0.44 117.51 119.96 3ea2 h ILE 95 Ca 0.03 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3ea2 h ILE 95 Cb 0.20 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3ea2 h ILE 95 CO -0.00 0.19 0.13 0.78 0.00 0.00 0.00 178.15 179.24 3ea2 h ASN 96 N 1.02 0.81 -0.14 1.72 2.35 -1.04 0.24 115.58 120.53 3ea2 h ASN 96 Ca 0.37 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.83 3ea2 h ASN 96 Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3ea2 h ASN 96 CO -0.16 0.80 -0.39 -0.33 -1.65 0.00 0.00 177.43 175.71 3ea2 h GLU 97 N 0.84 0.67 -0.62 0.81 4.39 -0.74 -1.44 114.58 118.48 3ea2 h GLU 97 Ca 0.18 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3ea2 h GLU 97 Cb 0.31 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3ea2 h GLU 97 CO -0.00 0.95 0.03 0.00 -1.16 0.00 0.00 179.01 178.82 3ea2 h ALA 98 N 1.01 0.86 -0.19 3.43 0.00 -0.69 -1.52 119.26 122.17 3ea2 h ALA 98 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ea2 h ALA 98 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ea2 h ALA 98 CO 0.08 0.67 0.10 0.87 0.00 0.00 0.00 179.25 180.98 3ea2 h LYS 99 N 0.99 0.27 -0.67 0.00 1.57 -0.72 -0.50 116.57 117.51 3ea2 h LYS 99 Ca 0.18 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3ea2 h LYS 99 Cb 0.53 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3ea2 h LYS 99 CO 0.03 0.27 0.38 1.96 -0.57 0.00 0.00 179.45 181.51 3ea2 h GLN 100 N 0.20 0.93 -0.49 3.15 1.08 -1.12 0.11 115.11 118.96 3ea2 h GLN 100 Ca 0.07 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3ea2 h GLN 100 Cb 0.08 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3ea2 h GLN 100 CO -0.01 0.69 0.17 0.35 -0.95 0.00 0.00 178.83 179.07 3ea2 h PHE 101 N 0.92 0.78 0.00 2.96 3.57 -1.10 -1.33 116.94 122.73 3ea2 h PHE 101 Ca 0.24 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3ea2 h PHE 101 Cb 0.02 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3ea2 h PHE 101 CO -0.01 0.68 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.48 3ea2 h LEU 102 N 0.66 0.00 -0.07 0.59 3.38 -0.78 0.22 115.31 119.31 3ea2 h LEU 102 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3ea2 h LEU 102 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ea2 h LEU 102 CO -0.01 0.20 -0.36 0.50 0.09 0.00 0.00 178.44 178.87 3ea2 h LYS 103 N 0.00 0.37 -0.01 1.13 3.11 -0.43 -2.63 116.57 118.10 3ea2 h LYS 103 Ca -0.00 -0.30 -0.14 0.00 -2.81 0.00 0.00 60.65 57.40 3ea2 h LYS 103 Cb 0.54 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 3ea2 h LYS 103 CO 0.03 0.94 -0.65 -0.44 -2.81 0.00 0.00 179.45 176.52 3ea2 h ASP 104 N -0.12 0.06 -2.29 4.20 3.32 -0.92 -3.36 116.42 117.31 3ea2 h ASP 104 Ca -0.02 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 3ea2 h ASP 104 Cb 1.01 -0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.14 3ea2 h ASP 104 CO 0.07 0.69 -0.82 0.59 -1.72 0.00 0.00 179.24 178.05 3ea2 n ASN 105 N -3.79 1.81 0.02 6.45 3.02 0.75 -4.97 115.26 118.56 3ea2 n ASN 105 Ca -0.01 -3.00 0.01 0.00 -0.03 0.00 0.00 54.58 51.55 3ea2 n ASN 105 Cb 0.64 -0.66 0.06 0.00 -0.61 0.00 0.00 39.78 39.22 3ea2 n ASN 105 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ea2 n PRO 106 N 1.49 0.02 0.09 3.52 -0.04 -0.99 -1.88 135.00 137.21 3ea2 n PRO 106 Ca 0.25 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 3ea2 n PRO 106 Cb 0.45 -1.61 0.28 0.00 -0.04 0.00 0.00 33.50 32.58 3ea2 n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ea2 h SER 107 N 0.00 0.00 -2.47 3.54 4.64 -1.93 -3.26 113.55 114.07 3ea2 h SER 107 Ca 0.00 -0.09 -0.45 0.00 -0.47 0.00 0.00 61.79 60.78 3ea2 h SER 107 Cb 0.11 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.26 3ea2 h SER 107 CO 0.00 0.05 0.02 -1.61 -0.87 0.00 0.00 176.83 174.42 3ea2 s GLU 108 N -3.14 2.27 0.02 4.77 0.41 -0.79 -4.42 118.70 117.82 3ea2 s GLU 108 Ca 0.08 -0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 53.77 3ea2 s GLU 108 Cb 0.12 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 30.03 3ea2 s GLU 108 CO 0.66 -0.96 0.02 -0.08 -0.49 0.00 0.00 175.26 174.41 3ea2 s THR 109 N -2.91 0.12 -0.15 3.63 -1.32 -1.26 0.31 115.64 114.06 3ea2 s THR 109 Ca 0.60 -0.98 0.01 0.00 -1.21 0.00 0.00 61.69 60.11 3ea2 s THR 109 Cb -0.09 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 3ea2 s THR 109 CO 0.41 -0.54 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.46 3ea2 s ILE 110 N -1.85 2.39 -0.26 5.08 -1.09 -0.93 -4.84 121.20 119.71 3ea2 s ILE 110 Ca -0.12 -0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 57.33 3ea2 s ILE 110 Cb -0.07 -1.99 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 3ea2 s ILE 110 CO -0.02 0.53 0.18 -0.63 -1.23 0.00 0.00 174.94 173.77 3ea2 s ILE 111 N 0.87 5.33 -0.24 2.92 1.01 0.17 0.50 121.20 131.75 3ea2 s ILE 111 Ca -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 3ea2 s ILE 111 Cb -0.15 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.83 3ea2 s ILE 111 CO -0.02 0.29 -0.08 -0.32 0.00 0.00 0.00 174.94 174.81 3ea2 s MET 112 N 1.48 2.75 0.00 2.79 1.75 0.78 -0.85 119.30 128.00 3ea2 s MET 112 Ca 0.07 -1.02 -0.24 0.00 -1.25 0.00 0.00 55.69 53.25 3ea2 s MET 112 Cb -0.15 -2.93 -0.05 0.00 2.84 0.00 0.00 34.83 34.55 3ea2 s MET 112 CO 0.08 -0.41 0.73 0.45 -0.65 0.00 0.00 175.02 175.22 3ea2 s SER 113 N 1.28 7.11 -0.11 1.11 0.15 0.01 -0.33 113.70 122.92 3ea2 s SER 113 Ca -0.01 1.33 0.02 0.00 0.70 0.00 0.00 55.95 58.00 3ea2 s SER 113 Cb -0.17 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3ea2 s SER 113 CO -0.05 -0.03 -0.16 -0.22 1.20 0.00 0.00 173.24 173.98 3ea2 s LEU 114 N 0.24 1.79 0.02 3.45 2.96 -0.47 -1.47 118.68 125.19 3ea2 s LEU 114 Ca 0.38 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3ea2 s LEU 114 Cb -0.19 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3ea2 s LEU 114 CO 0.21 0.03 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.42 3ea2 s LYS 115 N 0.91 0.72 -0.43 1.98 2.20 -0.71 -1.13 119.74 123.27 3ea2 s LYS 115 Ca -0.08 -0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 54.71 3ea2 s LYS 115 Cb -0.15 -0.66 0.03 0.00 -1.51 0.00 0.00 37.83 35.53 3ea2 s LYS 115 CO -0.01 0.17 1.06 0.21 -0.36 0.00 0.00 175.35 176.42 3ea2 s LYS 116 N -0.80 3.76 0.13 4.03 2.20 -1.26 -0.99 119.74 126.81 3ea2 s LYS 116 Ca -0.00 0.58 0.18 0.00 -0.36 0.00 0.00 55.97 56.37 3ea2 s LYS 116 Cb -0.06 -3.87 -0.07 0.00 -1.51 0.00 0.00 37.83 32.32 3ea2 s LYS 116 CO 0.00 -1.22 0.97 1.49 -0.36 0.00 0.00 175.35 176.24 3ea2 h GLU 117 N 8.91 0.00 -3.42 4.03 4.57 -1.10 -3.47 114.58 124.11 3ea2 h GLU 117 Ca -0.23 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 3ea2 h GLU 117 Cb 1.07 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.50 3ea2 h GLU 117 CO 1.08 0.25 -0.21 -0.47 -1.18 0.00 0.00 179.01 178.48 3ea2 s TYR 118 N -3.02 -0.09 0.53 0.92 5.04 -1.25 -4.32 117.35 115.15 3ea2 s TYR 118 Ca -0.01 -0.15 -0.22 0.00 -2.44 0.00 0.00 57.07 54.24 3ea2 s TYR 118 Cb 0.09 0.12 -0.06 0.00 0.35 0.00 0.00 41.96 42.45 3ea2 s TYR 118 CO 0.79 -0.58 1.25 -0.85 -1.34 0.00 0.00 175.55 174.83 3ea2 n GLU 119 N 0.20 1.57 -1.30 4.97 0.28 -1.26 -4.62 120.64 120.48 3ea2 n GLU 119 Ca -0.17 0.58 -0.35 0.00 -0.16 0.00 0.00 57.16 57.05 3ea2 n GLU 119 Cb 0.61 -2.44 0.09 0.00 1.43 0.00 0.00 31.44 31.14 3ea2 n GLU 119 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ea2 n ASP 120 N -0.65 0.47 -4.77 -1.84 8.00 -1.26 -4.72 116.55 111.77 3ea2 n ASP 120 Ca 0.10 0.64 -0.38 0.00 0.71 0.00 0.00 54.79 55.86 3ea2 n ASP 120 Cb 0.44 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 3ea2 n ASP 120 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ea2 s MET 121 N -3.45 4.26 0.13 -1.24 -1.94 -0.45 -4.94 119.30 111.67 3ea2 s MET 121 Ca 0.73 1.72 -0.31 0.00 -1.71 0.00 0.00 55.69 56.11 3ea2 s MET 121 Cb -0.33 -2.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.63 3ea2 s MET 121 CO 0.51 -0.10 1.66 -1.59 -0.01 0.00 0.00 175.02 175.49 3ea2 s LYS 122 N -2.12 4.18 0.00 2.03 -2.85 -1.26 -2.83 119.74 116.90 3ea2 s LYS 122 Ca 0.54 2.42 0.00 0.00 -1.00 0.00 0.00 55.97 57.93 3ea2 s LYS 122 Cb -0.28 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.12 3ea2 s LYS 122 CO 0.36 -0.71 0.00 0.41 0.10 0.00 0.00 175.35 175.51 3ea2 n GLY 123 N 3.95 0.98 3.77 0.59 0.00 -1.26 -4.83 105.19 108.38 3ea2 n GLY 123 Ca 0.15 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3ea2 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea2 s ALA 124 N -2.00 3.18 0.11 4.61 0.00 -1.13 -4.87 121.76 121.66 3ea2 s ALA 124 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3ea2 s ALA 124 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3ea2 s ALA 124 CO 0.00 -0.79 1.53 1.49 0.00 0.00 0.00 175.76 177.99 3ea2 h GLU 125 N 2.53 0.66 0.00 0.00 4.81 -1.90 -3.47 114.58 117.20 3ea2 h GLU 125 Ca -0.49 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 3ea2 h GLU 125 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ea2 h GLU 125 CO 0.62 0.81 0.00 0.41 -0.73 0.00 0.00 179.01 180.12 3ea2 n GLY 126 N -0.23 5.49 3.92 1.92 0.00 -1.26 -5.14 105.19 109.89 3ea2 n GLY 126 Ca -0.02 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 3ea2 n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ea2 s SER 127 N 1.00 5.00 0.13 1.61 1.04 -1.26 -4.94 113.70 116.28 3ea2 s SER 127 Ca 0.00 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 3ea2 s SER 127 Cb 0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3ea2 s SER 127 CO 0.00 -0.87 1.74 0.15 0.98 0.00 0.00 173.24 175.24 3ea2 h PHE 128 N 0.81 0.44 -0.33 5.02 3.04 -1.99 -0.59 116.94 123.34 3ea2 h PHE 128 Ca -0.38 -0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.38 3ea2 h PHE 128 Cb 1.28 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.65 3ea2 h PHE 128 CO 0.60 0.34 -0.48 0.66 -2.02 0.00 0.00 178.31 177.42 3ea2 h SER 129 N 0.41 0.99 -0.18 0.41 4.64 -1.92 -2.11 113.55 115.79 3ea2 h SER 129 Ca 0.11 -0.51 -0.14 0.00 -0.47 0.00 0.00 61.79 60.79 3ea2 h SER 129 Cb 0.04 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3ea2 h SER 129 CO -0.02 1.30 -0.39 0.77 -0.87 0.00 0.00 176.83 177.62 3ea2 h SER 130 N 0.70 0.76 -0.27 4.97 4.64 -1.86 -1.90 113.55 120.60 3ea2 h SER 130 Ca 0.03 -0.34 -0.16 0.00 -0.47 0.00 0.00 61.79 60.86 3ea2 h SER 130 Cb 1.08 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3ea2 h SER 130 CO 0.11 1.06 -0.42 0.74 -0.87 0.00 0.00 176.83 177.45 3ea2 h THR 131 N 0.59 1.28 -0.26 2.95 2.02 -1.13 -1.04 112.91 117.32 3ea2 h THR 131 Ca 0.05 -1.60 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 3ea2 h THR 131 Cb 0.93 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3ea2 h THR 131 CO 0.08 0.52 -0.01 0.15 0.37 0.00 0.00 175.52 176.64 3ea2 h PHE 132 N 0.66 0.50 -0.36 3.16 3.57 -1.32 -0.70 116.94 122.46 3ea2 h PHE 132 Ca 0.05 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 3ea2 h PHE 132 Cb 0.99 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3ea2 h PHE 132 CO 0.06 0.63 -0.09 0.93 -2.23 0.00 0.00 178.31 177.61 3ea2 h GLU 133 N 0.23 0.69 -0.23 1.11 5.08 -1.34 0.11 114.58 120.23 3ea2 h GLU 133 Ca 0.07 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.98 3ea2 h GLU 133 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ea2 h GLU 133 CO 0.02 0.85 -0.58 -0.22 -1.00 0.00 0.00 179.01 178.07 3ea2 h LYS 134 N 0.48 0.81 0.00 2.33 3.64 -1.21 -2.55 116.57 120.07 3ea2 h LYS 134 Ca 0.09 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3ea2 h LYS 134 Cb 0.59 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3ea2 h LYS 134 CO 0.04 1.18 -1.17 0.09 -2.27 0.00 0.00 179.45 177.31 3ea2 n ASN 135 N -4.04 0.79 0.06 4.20 3.02 -0.27 -4.68 115.26 114.34 3ea2 n ASN 135 Ca -0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 3ea2 n ASN 135 Cb 0.64 1.24 0.00 0.00 -0.61 0.00 0.00 39.78 41.05 3ea2 n ASN 135 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ea2 n TYR 136 N -1.65 -0.62 0.14 3.10 4.02 -0.08 -4.85 117.16 117.21 3ea2 n TYR 136 Ca 0.02 0.11 0.16 0.00 -0.01 0.00 0.00 57.90 58.18 3ea2 n TYR 136 Cb 0.36 0.18 0.73 0.00 -0.02 0.00 0.00 39.34 40.58 3ea2 n TYR 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3ea2 h PHE 137 N 0.00 0.00 0.00 -0.72 3.57 -0.91 -1.85 116.94 117.03 3ea2 h PHE 137 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3ea2 h PHE 137 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3ea2 h PHE 137 CO 0.00 0.00 -0.02 -0.24 -2.23 0.00 0.00 178.31 175.82 3ea2 h VAL 138 N 0.00 0.46 -2.59 1.41 3.04 -1.70 -3.43 116.25 113.44 3ea2 h VAL 138 Ca 0.13 -0.12 -0.58 0.00 -1.01 0.00 0.00 66.70 65.12 3ea2 h VAL 138 Cb 0.55 1.08 0.08 0.00 -2.01 0.00 0.00 31.29 30.99 3ea2 h VAL 138 CO -0.00 0.02 0.64 -0.67 -1.01 0.00 0.00 177.57 176.56 3ea2 n ASP 139 N -3.70 2.80 0.28 3.17 -0.08 -0.70 -4.84 116.55 113.49 3ea2 n ASP 139 Ca -0.03 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.54 3ea2 n ASP 139 Cb 0.11 -1.42 0.82 0.00 2.34 0.00 0.00 41.12 42.97 3ea2 n ASP 139 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ea2 h PRO 140 N 4.51 0.00 0.00 -0.67 0.11 -1.90 -2.00 132.00 132.05 3ea2 h PRO 140 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ea2 h PRO 140 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ea2 h PRO 140 CO 0.78 0.00 -0.09 0.97 -0.21 0.00 0.00 178.00 179.45 3ea2 h ILE 141 N 0.00 0.93 -3.30 4.15 6.09 -1.91 -3.42 117.51 120.06 3ea2 h ILE 141 Ca 0.00 -0.31 -0.56 0.00 -1.37 0.00 0.00 64.86 62.62 3ea2 h ILE 141 Cb 0.36 1.17 -0.05 0.00 0.47 0.00 0.00 36.82 38.77 3ea2 h ILE 141 CO 0.00 0.08 0.42 -0.36 -3.07 0.00 0.00 178.15 175.22 3ea2 s PHE 142 N -4.73 3.50 0.28 2.19 0.08 -0.75 -1.14 117.98 117.41 3ea2 s PHE 142 Ca -0.04 1.43 -0.30 0.00 0.12 0.00 0.00 56.93 58.14 3ea2 s PHE 142 Cb 0.16 -3.06 -0.11 0.00 -0.57 0.00 0.00 43.02 39.44 3ea2 s PHE 142 CO 0.65 -0.17 1.50 -1.17 -0.10 0.00 0.00 175.22 175.93 3ea2 s LEU 143 N 1.82 4.37 0.00 -0.37 2.96 -0.88 -4.92 118.68 121.66 3ea2 s LEU 143 Ca 0.43 2.82 0.14 0.00 -0.22 0.00 0.00 54.13 57.30 3ea2 s LEU 143 Cb -0.18 -3.63 0.24 0.00 0.50 0.00 0.00 46.19 43.12 3ea2 s LEU 143 CO 0.17 -0.79 1.12 0.29 -1.32 0.00 0.00 176.35 175.81 3ea2 n LYS 144 N 1.98 1.85 -3.51 1.98 4.76 -1.26 -3.83 118.16 120.12 3ea2 n LYS 144 Ca 0.06 -1.74 -0.19 0.00 -2.87 0.00 0.00 58.31 53.57 3ea2 n LYS 144 Cb 0.39 -1.30 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 3ea2 n LYS 144 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3ea2 s THR 145 N -1.08 3.70 0.00 -0.18 -4.23 -1.26 -3.27 115.64 109.31 3ea2 s THR 145 Ca 0.22 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3ea2 s THR 145 Cb 0.13 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3ea2 s THR 145 CO 0.18 -0.13 0.00 -0.62 -0.54 0.00 0.00 174.62 173.51 3ea2 n GLU 146 N -1.59 0.02 0.00 3.99 1.02 -1.26 -1.76 120.64 121.07 3ea2 n GLU 146 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3ea2 n GLU 146 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3ea2 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ea2 n GLY 147 N 3.38 0.21 3.14 0.62 0.00 -1.26 -3.68 105.19 107.60 3ea2 n GLY 147 Ca 0.00 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 3ea2 n GLY 147 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ea2 n ASN 148 N -1.81 4.98 -4.20 1.61 5.15 -1.26 -4.91 115.26 114.82 3ea2 n ASN 148 Ca 0.00 -3.01 -0.57 0.00 -0.60 0.00 0.00 54.58 50.40 3ea2 n ASN 148 Cb 0.00 -1.56 -0.08 0.00 -0.53 0.00 0.00 39.78 37.61 3ea2 n ASN 148 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3ea2 n ILE 149 N 4.31 0.00 -3.86 -1.44 5.41 -1.24 -4.72 119.36 117.81 3ea2 n ILE 149 Ca 0.41 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.87 3ea2 n ILE 149 Cb 0.40 -0.13 -0.04 0.00 -0.71 0.00 0.00 39.64 39.16 3ea2 n ILE 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3ea2 s LYS 150 N 0.79 3.47 0.18 0.38 1.02 -1.26 -0.52 119.74 123.80 3ea2 s LYS 150 Ca 0.87 -0.42 -0.14 0.00 0.02 0.00 0.00 55.97 56.30 3ea2 s LYS 150 Cb -1.23 -2.96 0.16 0.00 -0.52 0.00 0.00 37.83 33.28 3ea2 s LYS 150 CO 0.59 0.54 1.73 1.25 -0.92 0.00 0.00 175.35 178.53 3ea2 h LEU 151 N 2.62 0.05 -0.80 3.17 5.85 -1.25 -2.47 115.31 122.49 3ea2 h LEU 151 Ca -0.47 0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.52 3ea2 h LEU 151 Cb 1.17 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 3ea2 h LEU 151 CO 0.72 0.06 0.16 1.23 -0.34 0.00 0.00 178.44 180.27 3ea2 h GLY 152 N 0.25 1.11 2.00 3.75 0.00 -1.18 0.22 103.07 109.22 3ea2 h GLY 152 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ea2 h GLY 152 CO -0.28 -0.28 0.00 -0.55 0.00 0.00 0.00 176.54 175.43 3ea2 h ASP 153 N 0.21 0.00 0.67 0.19 3.32 -1.71 -3.27 116.42 115.83 3ea2 h ASP 153 Ca 0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3ea2 h ASP 153 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3ea2 h ASP 153 CO -0.60 0.00 -1.38 0.00 -1.72 0.00 0.00 179.24 175.54 3ea2 n ALA 154 N -1.95 2.41 -1.63 3.45 0.00 0.57 -4.87 120.51 118.49 3ea2 n ALA 154 Ca 0.04 -0.41 -0.47 0.00 0.00 0.00 0.00 53.44 52.60 3ea2 n ALA 154 Cb 0.45 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 3ea2 n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ea2 n ARG 155 N -2.63 1.66 -0.95 0.00 1.74 -0.06 -1.04 116.66 115.38 3ea2 n ARG 155 Ca -0.04 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3ea2 n ARG 155 Cb 0.64 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3ea2 n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ea2 n GLY 156 N 2.46 0.87 3.47 -0.13 0.00 0.15 -4.96 105.19 107.04 3ea2 n GLY 156 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3ea2 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ea2 s LYS 157 N -0.11 1.69 -0.22 1.61 1.02 -0.21 -4.98 119.74 118.54 3ea2 s LYS 157 Ca 0.00 -1.93 -0.09 0.00 0.02 0.00 0.00 55.97 53.97 3ea2 s LYS 157 Cb 0.00 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 3ea2 s LYS 157 CO 0.00 -0.15 0.11 0.42 -0.92 0.00 0.00 175.35 174.81 3ea2 s ILE 158 N -3.20 4.96 -0.31 2.17 1.01 -0.29 -2.19 121.20 123.35 3ea2 s ILE 158 Ca 0.36 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 3ea2 s ILE 158 Cb 0.09 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3ea2 s ILE 158 CO 0.16 0.38 0.24 -0.69 0.00 0.00 0.00 174.94 175.02 3ea2 s VAL 159 N 0.98 5.28 0.15 2.92 1.01 0.18 -2.06 120.40 128.85 3ea2 s VAL 159 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3ea2 s VAL 159 Cb -0.14 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3ea2 s VAL 159 CO 0.03 0.09 0.97 -0.22 0.00 0.00 0.00 175.10 175.98 3ea2 s LEU 160 N 1.77 4.53 -0.36 3.92 2.96 -1.26 -0.16 118.68 130.09 3ea2 s LEU 160 Ca 0.07 1.85 0.04 0.00 -0.22 0.00 0.00 54.13 55.88 3ea2 s LEU 160 Cb -0.17 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.03 3ea2 s LEU 160 CO 0.11 -0.03 0.08 -0.22 -1.32 0.00 0.00 176.35 174.97 3ea2 s LEU 161 N -0.30 4.65 0.03 -0.68 2.96 0.55 -0.24 118.68 125.64 3ea2 s LEU 161 Ca 0.46 -2.25 -0.30 0.00 -0.22 0.00 0.00 54.13 51.81 3ea2 s LEU 161 Cb -0.24 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 3ea2 s LEU 161 CO 0.31 -0.36 1.28 -0.54 -1.32 0.00 0.00 176.35 175.71 3ea2 s LYS 162 N 0.77 4.36 -0.13 1.98 1.02 -0.95 -1.37 119.74 125.42 3ea2 s LYS 162 Ca 0.12 1.84 0.16 0.00 0.02 0.00 0.00 55.97 58.11 3ea2 s LYS 162 Cb -0.20 -3.43 0.40 0.00 -0.52 0.00 0.00 37.83 34.08 3ea2 s LYS 162 CO -0.07 -0.40 1.19 0.54 -0.92 0.00 0.00 175.35 175.69 3ea2 n ARG 163 N 4.54 0.99 -4.12 1.68 1.74 -0.28 -3.96 116.66 117.24 3ea2 n ARG 163 Ca 0.11 -2.75 -0.15 0.00 -0.77 0.00 0.00 57.85 54.29 3ea2 n ARG 163 Cb 0.45 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.73 3ea2 n ARG 163 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3ea2 s TYR 164 N -2.04 0.83 0.41 -1.55 -0.85 -1.24 -4.39 117.35 108.52 3ea2 s TYR 164 Ca 0.35 -0.44 0.02 0.00 -0.52 0.00 0.00 57.07 56.49 3ea2 s TYR 164 Cb 0.36 -0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3ea2 s TYR 164 CO -0.09 -0.03 0.60 -1.54 -1.52 0.00 0.00 175.55 172.96 3ea2 s SER 165 N -1.43 5.91 0.00 -0.18 1.04 -1.26 -4.56 113.70 113.23 3ea2 s SER 165 Ca -0.06 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3ea2 s SER 165 Cb -0.09 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.55 3ea2 s SER 165 CO 0.01 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3ea2 n GLY 166 N -1.92 0.59 3.63 7.32 0.00 -1.26 -4.70 105.19 108.84 3ea2 n GLY 166 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3ea2 n GLY 166 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ea2 n SER 167 N 0.00 1.16 -0.05 1.61 2.88 -1.26 -4.83 113.62 113.14 3ea2 n SER 167 Ca 0.00 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3ea2 n SER 167 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 3ea2 n SER 167 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3ea2 n ASN 168 N -0.24 0.23 -4.20 -3.46 5.15 -1.26 -5.07 115.26 106.41 3ea2 n ASN 168 Ca 0.11 -1.22 -0.26 0.00 -0.60 0.00 0.00 54.58 52.61 3ea2 n ASN 168 Cb 0.44 -0.02 -0.15 0.00 -0.53 0.00 0.00 39.78 39.51 3ea2 n ASN 168 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ea2 s GLU 169 N -0.13 1.56 0.40 1.20 0.41 -1.26 -5.14 118.70 115.73 3ea2 s GLU 169 Ca 0.00 -0.71 -0.20 0.00 -0.41 0.00 0.00 54.97 53.66 3ea2 s GLU 169 Cb 0.00 -1.51 -0.10 0.00 -1.78 0.00 0.00 34.13 30.73 3ea2 s GLU 169 CO 0.00 0.41 0.90 -1.12 -0.49 0.00 0.00 175.26 174.96 3ea2 s SER 170 N -0.51 6.92 0.00 -0.19 0.01 -1.26 -5.01 113.70 113.66 3ea2 s SER 170 Ca 0.07 1.59 0.00 0.00 1.31 0.00 0.00 55.95 58.93 3ea2 s SER 170 Cb -0.08 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3ea2 s SER 170 CO -0.01 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.95 3ea2 n GLY 171 N -0.50 4.38 7.00 3.44 0.00 -1.20 -4.66 105.19 113.65 3ea2 n GLY 171 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3ea2 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea2 n GLY 172 N -0.52 -0.35 3.69 -0.02 0.00 -0.72 -4.73 105.19 102.53 3ea2 n GLY 172 Ca 0.00 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3ea2 n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ea2 s TYR 173 N 0.00 3.34 0.76 1.61 2.02 0.66 -4.55 117.35 121.20 3ea2 s TYR 173 Ca 0.00 0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.79 3ea2 s TYR 173 Cb 0.00 -2.15 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 3ea2 s TYR 173 CO 0.00 0.21 1.17 -0.80 -1.57 0.00 0.00 175.55 174.56 3ea2 s ASN 174 N 0.47 4.11 0.43 2.29 0.02 -1.26 -2.25 114.94 118.76 3ea2 s ASN 174 Ca 0.06 2.21 -0.24 0.00 -1.02 0.00 0.00 52.86 53.88 3ea2 s ASN 174 Cb -0.12 -2.57 -0.08 0.00 0.02 0.00 0.00 41.25 38.50 3ea2 s ASN 174 CO -0.00 -2.31 1.13 0.21 0.02 0.00 0.00 177.10 176.15 3ea2 s ASN 175 N -2.39 6.40 0.13 -1.22 2.47 -1.25 -4.60 114.94 114.48 3ea2 s ASN 175 Ca 0.70 2.23 -0.06 0.00 0.42 0.00 0.00 52.86 56.16 3ea2 s ASN 175 Cb -0.25 -2.60 -0.02 0.00 -1.45 0.00 0.00 41.25 36.93 3ea2 s ASN 175 CO 0.48 -0.75 0.17 0.72 -3.72 0.00 0.00 177.10 174.00 3ea2 s PHE 176 N -1.56 0.53 0.04 0.43 -0.12 -1.26 -5.02 117.98 111.02 3ea2 s PHE 176 Ca 0.61 -0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 56.26 3ea2 s PHE 176 Cb -0.27 -0.23 -0.08 0.00 -0.63 0.00 0.00 43.02 41.82 3ea2 s PHE 176 CO 0.33 -0.60 1.72 -0.47 -0.05 0.00 0.00 175.22 176.15 3ea2 s TYR 177 N -3.98 2.10 -0.61 3.49 5.04 -1.26 -4.95 117.35 117.19 3ea2 s TYR 177 Ca 0.17 0.13 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 3ea2 s TYR 177 Cb 0.05 -4.02 0.15 0.00 0.35 0.00 0.00 41.96 38.50 3ea2 s TYR 177 CO -0.02 -4.22 0.37 -0.46 -1.34 0.00 0.00 175.55 169.88 3ea2 s TRP 178 N 3.28 3.36 0.56 4.97 -0.11 -1.26 -4.99 118.94 124.76 3ea2 s TRP 178 Ca 0.77 -3.23 -0.19 0.00 1.22 0.00 0.00 56.10 54.66 3ea2 s TRP 178 Cb -0.39 -2.79 -0.07 0.00 -1.50 0.00 0.00 33.47 28.71 3ea2 s TRP 178 CO 0.33 -0.66 0.74 -0.35 -4.62 0.00 0.00 176.95 172.40 3ea2 n PRO 179 N 2.63 0.74 -2.51 5.86 -0.04 -1.26 -4.91 135.00 135.50 3ea2 n PRO 179 Ca 0.11 0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 3ea2 n PRO 179 Cb 0.33 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 3ea2 n PRO 179 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ea2 s ASP 180 N -1.16 7.27 -0.97 3.54 2.15 -1.26 -4.31 116.67 121.93 3ea2 s ASP 180 Ca 0.71 2.10 -0.19 0.00 0.43 0.00 0.00 52.55 55.60 3ea2 s ASP 180 Cb -0.45 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.59 3ea2 s ASP 180 CO 0.52 -0.21 0.60 -3.20 -0.17 0.00 0.00 175.17 172.70 3ea2 n ASN 181 N 2.29 -4.05 -3.70 -0.34 5.15 -1.25 -4.95 115.26 108.41 3ea2 n ASN 181 Ca 0.02 -1.09 -0.07 0.00 -0.60 0.00 0.00 54.58 52.84 3ea2 n ASN 181 Cb 0.46 -1.46 -0.01 0.00 -0.53 0.00 0.00 39.78 38.23 3ea2 n ASN 181 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ea2 s GLU 182 N -6.23 1.85 -0.21 1.20 0.41 -1.20 -4.72 118.70 109.80 3ea2 s GLU 182 Ca 0.26 -1.06 -0.07 0.00 -0.41 0.00 0.00 54.97 53.69 3ea2 s GLU 182 Cb -0.15 0.61 -0.03 0.00 -1.78 0.00 0.00 34.13 32.78 3ea2 s GLU 182 CO 0.87 -0.85 0.06 0.99 -0.49 0.00 0.00 175.26 175.84 3ea2 s THR 183 N -3.63 4.47 0.15 3.63 2.01 -1.26 -1.73 115.64 119.28 3ea2 s THR 183 Ca 0.12 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 3ea2 s THR 183 Cb -0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3ea2 s THR 183 CO 0.08 0.40 0.13 0.72 -0.69 0.00 0.00 174.62 175.26 3ea2 s PHE 184 N 1.02 0.80 -0.01 4.92 -0.12 0.15 -4.99 117.98 119.75 3ea2 s PHE 184 Ca 0.04 -1.14 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 3ea2 s PHE 184 Cb -0.14 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 3ea2 s PHE 184 CO 0.03 -0.60 -0.10 0.99 -0.05 0.00 0.00 175.22 175.49 3ea2 s THR 185 N -4.05 0.81 0.00 -4.49 2.01 -1.26 -0.84 115.64 107.82 3ea2 s THR 185 Ca 0.25 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3ea2 s THR 185 Cb 0.06 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.89 3ea2 s THR 185 CO 0.03 0.22 0.00 1.07 -0.69 0.00 0.00 174.62 175.26 3ea2 n THR 186 N 2.81 0.00 -4.15 -0.82 5.66 0.59 -4.99 114.28 113.38 3ea2 n THR 186 Ca -0.14 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 3ea2 n THR 186 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 3ea2 n THR 186 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ea2 s THR 187 N -2.06 0.70 0.01 1.09 -4.23 -1.26 -0.60 115.64 109.30 3ea2 s THR 187 Ca 0.00 -1.76 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 3ea2 s THR 187 Cb 0.00 -1.47 0.03 0.00 1.34 0.00 0.00 72.50 72.41 3ea2 s THR 187 CO 0.00 -0.75 0.39 0.54 -0.54 0.00 0.00 174.62 174.25 3ea2 s VAL 188 N -3.11 0.05 -1.40 2.29 0.11 0.23 -4.88 120.40 113.70 3ea2 s VAL 188 Ca 0.08 -0.45 -0.10 0.00 -2.93 0.00 0.00 61.98 58.57 3ea2 s VAL 188 Cb 0.02 -0.84 0.07 0.00 -1.53 0.00 0.00 36.38 34.10 3ea2 s VAL 188 CO -0.03 -0.25 0.62 0.59 -3.33 0.00 0.00 175.10 172.70 3ea2 n ASN 189 N 0.82 -4.18 0.00 3.54 4.13 -1.26 -1.65 115.26 116.65 3ea2 n ASN 189 Ca -0.20 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.56 3ea2 n ASN 189 Cb 0.58 -3.42 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 3ea2 n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ea2 n GLN 190 N -3.99 0.00 -0.36 3.52 1.13 -1.26 -4.13 117.38 112.29 3ea2 n GLN 190 Ca -0.01 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.12 3ea2 n GLN 190 Cb 0.54 -0.15 0.19 0.00 0.11 0.00 0.00 30.24 30.93 3ea2 n GLN 190 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3ea2 n ASN 191 N 0.41 2.54 -4.07 1.08 2.04 -1.24 -4.97 115.26 111.05 3ea2 n ASN 191 Ca 0.00 -3.35 -0.32 0.00 -0.44 0.00 0.00 54.58 50.47 3ea2 n ASN 191 Cb 0.00 -0.50 -0.16 0.00 -2.53 0.00 0.00 39.78 36.59 3ea2 n ASN 191 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3ea2 s VAL 192 N -3.00 2.02 0.03 3.53 1.01 -0.66 -4.85 120.40 118.47 3ea2 s VAL 192 Ca 0.37 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 3ea2 s VAL 192 Cb 0.33 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ea2 s VAL 192 CO 0.02 0.20 0.90 0.20 0.00 0.00 0.00 175.10 176.41 3ea2 s ASN 193 N 1.23 7.32 -0.06 3.32 -0.87 -0.08 -0.60 114.94 125.19 3ea2 s ASN 193 Ca -0.03 1.59 0.06 0.00 -1.57 0.00 0.00 52.86 52.91 3ea2 s ASN 193 Cb -0.17 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.52 3ea2 s ASN 193 CO -0.08 -0.14 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.37 3ea2 s VAL 194 N 0.53 2.02 -0.11 1.60 1.01 0.23 0.14 120.40 125.83 3ea2 s VAL 194 Ca 0.46 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3ea2 s VAL 194 Cb -0.21 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3ea2 s VAL 194 CO 0.26 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.92 3ea2 s THR 195 N -0.08 1.20 -0.04 3.92 2.01 0.11 -0.30 115.64 122.46 3ea2 s THR 195 Ca -0.06 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.55 3ea2 s THR 195 Cb -0.14 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 3ea2 s THR 195 CO 0.04 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.51 3ea2 s VAL 196 N 1.36 1.38 -0.37 3.82 1.01 -0.02 -1.17 120.40 126.41 3ea2 s VAL 196 Ca -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3ea2 s VAL 196 Cb -0.14 -1.19 0.08 0.00 0.00 0.00 0.00 36.38 35.14 3ea2 s VAL 196 CO -0.05 0.40 0.14 -1.58 0.00 0.00 0.00 175.10 174.01 3ea2 s GLN 197 N 0.02 2.28 -0.36 2.72 -0.44 -0.42 -0.67 119.66 122.78 3ea2 s GLN 197 Ca -0.03 -1.53 0.13 0.00 -2.50 0.00 0.00 55.36 51.43 3ea2 s GLN 197 Cb -0.11 -3.48 0.44 0.00 -1.64 0.00 0.00 33.01 28.22 3ea2 s GLN 197 CO 0.02 -0.88 1.00 -3.47 0.50 0.00 0.00 175.29 172.47 3ea2 n ASP 198 N 4.67 2.59 -4.53 6.67 2.03 -0.71 -1.87 116.55 125.40 3ea2 n ASP 198 Ca -0.08 -3.07 -0.43 0.00 0.52 0.00 0.00 54.79 51.74 3ea2 n ASP 198 Cb 0.43 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.30 3ea2 n ASP 198 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ea2 s LYS 199 N -3.26 3.81 0.10 -0.67 1.02 -1.25 -3.22 119.74 116.27 3ea2 s LYS 199 Ca 0.35 -1.80 0.28 0.00 0.02 0.00 0.00 55.97 54.81 3ea2 s LYS 199 Cb 0.44 -5.28 1.01 0.00 -0.52 0.00 0.00 37.83 33.49 3ea2 s LYS 199 CO -0.04 -2.06 1.84 2.48 -0.92 0.00 0.00 175.35 176.65 3ea2 n TYR 200 N 7.67 0.44 -1.97 3.18 4.11 -1.26 -4.17 117.16 125.16 3ea2 n TYR 200 Ca 0.37 0.13 0.04 0.00 -0.00 0.00 0.00 57.90 58.44 3ea2 n TYR 200 Cb 0.47 -0.70 0.07 0.00 -0.00 0.00 0.00 39.34 39.18 3ea2 n TYR 200 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3ea2 n LYS 201 N -1.86 0.50 -2.22 -3.48 2.85 -1.26 -0.49 118.16 112.19 3ea2 n LYS 201 Ca 0.06 -2.05 -0.26 0.00 -1.05 0.00 0.00 58.31 55.01 3ea2 n LYS 201 Cb 0.38 -0.68 0.11 0.00 -0.65 0.00 0.00 35.03 34.19 3ea2 n LYS 201 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3ea2 s VAL 202 N -1.06 2.17 0.75 0.58 -7.23 -1.26 -5.03 120.40 109.32 3ea2 s VAL 202 Ca 0.25 -0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 3ea2 s VAL 202 Cb 0.26 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 34.35 3ea2 s VAL 202 CO -0.07 0.00 1.10 0.54 -0.31 0.00 0.00 175.10 176.36 3ea2 s ASN 203 N -4.67 4.57 0.14 4.85 2.20 -1.26 -4.76 114.94 116.01 3ea2 s ASN 203 Ca 0.65 1.90 -0.25 0.00 -0.94 0.00 0.00 52.86 54.23 3ea2 s ASN 203 Cb -0.08 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 3ea2 s ASN 203 CO 0.47 -1.99 1.61 0.22 -2.94 0.00 0.00 177.10 174.47 3ea2 h TYR 204 N -0.85 -0.85 -0.72 1.54 5.03 -1.99 -0.31 116.97 118.82 3ea2 h TYR 204 Ca -0.44 0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.00 3ea2 h TYR 204 Cb 1.24 0.41 -0.07 0.00 1.55 0.00 0.00 36.73 39.86 3ea2 h TYR 204 CO 0.56 -0.38 0.37 -0.44 -1.32 0.00 0.00 178.16 176.95 3ea2 h ASP 205 N -0.34 0.51 -0.05 -2.11 3.32 -2.00 -0.46 116.42 115.29 3ea2 h ASP 205 Ca 0.12 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3ea2 h ASP 205 Cb 0.53 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3ea2 h ASP 205 CO -0.40 0.30 -0.16 -0.08 -1.72 0.00 0.00 179.24 177.18 3ea2 h GLU 206 N 0.64 0.40 -0.01 3.56 4.81 -1.78 -1.75 114.58 120.46 3ea2 h GLU 206 Ca 0.35 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3ea2 h GLU 206 Cb 0.34 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3ea2 h GLU 206 CO -0.25 0.56 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.37 3ea2 h LYS 207 N 0.37 0.01 -0.82 1.92 1.63 0.39 -1.09 116.57 118.99 3ea2 h LYS 207 Ca 0.07 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3ea2 h LYS 207 Cb 0.51 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3ea2 h LYS 207 CO 0.03 0.36 0.51 0.28 -3.45 0.00 0.00 179.45 177.19 3ea2 h VAL 208 N -0.34 1.22 -0.54 2.00 2.07 -1.03 -0.76 116.25 118.86 3ea2 h VAL 208 Ca 0.00 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3ea2 h VAL 208 Cb 0.36 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3ea2 h VAL 208 CO 0.00 0.23 0.14 0.50 0.02 0.00 0.00 177.57 178.46 3ea2 h LYS 209 N 1.12 0.86 -0.79 1.57 3.64 -1.29 -1.81 116.57 119.87 3ea2 h LYS 209 Ca 0.30 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3ea2 h LYS 209 Cb -0.07 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 3ea2 h LYS 209 CO -0.06 0.81 0.33 0.77 -2.27 0.00 0.00 179.45 179.03 3ea2 h SER 210 N 0.76 1.07 -0.04 4.20 0.02 -0.66 0.16 113.55 119.06 3ea2 h SER 210 Ca 0.17 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ea2 h SER 210 Cb 0.32 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3ea2 h SER 210 CO -0.00 0.93 0.02 0.40 -1.14 0.00 0.00 176.83 177.04 3ea2 h ILE 211 N 1.14 1.10 -0.74 3.27 2.04 -0.95 -2.20 117.51 121.17 3ea2 h ILE 211 Ca 0.27 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3ea2 h ILE 211 Cb 0.19 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3ea2 h ILE 211 CO -0.03 0.08 0.24 0.11 0.00 0.00 0.00 178.15 178.56 3ea2 h LYS 212 N -0.06 1.13 -0.55 2.37 1.57 -0.99 -1.15 116.57 118.89 3ea2 h LYS 212 Ca 0.01 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3ea2 h LYS 212 Cb 0.12 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3ea2 h LYS 212 CO -0.00 0.96 0.09 -0.44 -0.57 0.00 0.00 179.45 179.48 3ea2 h ASP 213 N 1.09 0.87 0.05 0.86 3.32 -0.60 0.14 116.42 122.16 3ea2 h ASP 213 Ca 0.24 -0.26 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3ea2 h ASP 213 Cb 0.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ea2 h ASP 213 CO -0.01 0.90 -0.52 0.74 -1.72 0.00 0.00 179.24 178.63 3ea2 h THR 214 N 0.79 1.32 -0.14 0.35 2.02 -1.28 -2.37 112.91 113.60 3ea2 h THR 214 Ca 0.17 -1.77 -0.15 0.00 0.77 0.00 0.00 66.41 65.43 3ea2 h THR 214 Cb 0.41 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3ea2 h THR 214 CO 0.01 0.55 -0.56 -0.03 0.37 0.00 0.00 175.52 175.86 3ea2 h MET 215 N 0.40 0.43 -0.59 6.66 1.85 -1.01 -1.58 114.93 121.08 3ea2 h MET 215 Ca 0.01 -0.27 -0.02 0.00 -0.61 0.00 0.00 59.70 58.81 3ea2 h MET 215 Cb 1.05 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 33.09 3ea2 h MET 215 CO 0.10 0.87 0.30 -0.44 -0.40 0.00 0.00 176.91 177.34 3ea2 h ASP 216 N 0.33 0.76 -0.32 1.39 3.32 -0.55 0.17 116.42 121.51 3ea2 h ASP 216 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 3ea2 h ASP 216 Cb 1.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3ea2 h ASP 216 CO 0.10 0.66 0.03 -0.08 -1.72 0.00 0.00 179.24 178.23 3ea2 h GLU 217 N 0.80 0.65 -0.18 3.56 4.81 -1.27 -1.70 114.58 121.25 3ea2 h GLU 217 Ca 0.20 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3ea2 h GLU 217 Cb 0.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3ea2 h GLU 217 CO -0.03 0.64 -0.06 1.15 -0.73 0.00 0.00 179.01 179.99 3ea2 h THR 218 N 0.62 1.29 -0.18 0.32 2.02 -0.44 -2.63 112.91 113.91 3ea2 h THR 218 Ca 0.13 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 3ea2 h THR 218 Cb 0.34 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3ea2 h THR 218 CO 0.01 0.32 -0.08 0.24 0.37 0.00 0.00 175.52 176.37 3ea2 h MET 219 N 0.06 0.28 -0.64 6.66 2.86 -0.46 -2.62 114.93 121.07 3ea2 h MET 219 Ca 0.04 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ea2 h MET 219 Cb 0.51 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3ea2 h MET 219 CO 0.02 0.38 0.00 0.09 1.06 0.00 0.00 176.91 178.46 3ea2 n ASN 220 N -4.30 4.37 -2.77 1.22 3.02 -0.66 -3.96 115.26 112.19 3ea2 n ASN 220 Ca -0.00 -2.52 -0.03 0.00 -0.03 0.00 0.00 54.58 52.00 3ea2 n ASN 220 Cb 0.24 -0.58 0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3ea2 n ASN 220 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ea2 n ASN 221 N 0.76 0.89 0.11 6.41 5.15 -1.00 -4.95 115.26 122.63 3ea2 n ASN 221 Ca 0.22 -2.22 0.11 0.00 -0.60 0.00 0.00 54.58 52.09 3ea2 n ASN 221 Cb 0.87 -0.23 0.46 0.00 -0.53 0.00 0.00 39.78 40.35 3ea2 n ASN 221 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3ea2 n SER 222 N -0.63 0.57 -0.75 1.20 3.41 -1.18 -3.01 113.62 113.24 3ea2 n SER 222 Ca 0.03 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 3ea2 n SER 222 Cb 0.82 -0.76 0.16 0.00 -0.26 0.00 0.00 64.21 64.17 3ea2 n SER 222 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ea2 n GLU 223 N -2.13 1.91 -2.60 4.33 4.71 -1.26 -4.78 120.64 120.82 3ea2 n GLU 223 Ca 0.02 -1.51 -0.42 0.00 -0.01 0.00 0.00 57.16 55.25 3ea2 n GLU 223 Cb 0.23 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.17 3ea2 n GLU 223 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3ea2 s ASP 224 N -2.13 6.56 0.53 1.62 -1.08 -1.16 -4.85 116.67 116.16 3ea2 s ASP 224 Ca 0.27 -1.65 0.26 0.00 -0.52 0.00 0.00 52.55 50.91 3ea2 s ASP 224 Cb 0.20 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.59 3ea2 s ASP 224 CO 0.38 -1.42 2.12 -0.07 0.52 0.00 0.00 175.17 176.70 3ea2 h LEU 225 N 12.53 0.00 -3.59 -1.34 3.38 -1.90 -2.90 115.31 121.50 3ea2 h LEU 225 Ca 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3ea2 h LEU 225 Cb 0.99 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 3ea2 h LEU 225 CO 1.40 0.09 0.13 -0.46 0.09 0.00 0.00 178.44 179.69 3ea2 n ASN 226 N -3.83 4.79 -4.48 -0.43 6.94 -1.26 -4.34 115.26 112.65 3ea2 n ASN 226 Ca -0.02 -3.14 -0.34 0.00 -0.02 0.00 0.00 54.58 51.06 3ea2 n ASN 226 Cb 0.19 -0.69 -0.12 0.00 -2.36 0.00 0.00 39.78 36.80 3ea2 n ASN 226 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3ea2 s HIS 227 N -2.93 3.00 -0.22 -2.53 2.46 -1.10 -0.91 115.29 113.08 3ea2 s HIS 227 Ca 0.52 -0.34 -0.08 0.00 0.47 0.00 0.00 55.06 55.63 3ea2 s HIS 227 Cb 0.42 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.88 3ea2 s HIS 227 CO 0.13 -0.06 0.09 -1.17 -2.47 0.00 0.00 174.74 171.25 3ea2 s LEU 228 N 0.39 3.76 -0.19 8.88 0.20 0.37 -4.59 118.68 127.49 3ea2 s LEU 228 Ca -0.05 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.76 3ea2 s LEU 228 Cb -0.14 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.64 3ea2 s LEU 228 CO 0.03 0.08 -0.14 -0.31 -0.29 0.00 0.00 176.35 175.73 3ea2 s TYR 229 N 0.92 2.85 -0.20 5.38 2.02 -1.26 0.04 117.35 127.09 3ea2 s TYR 229 Ca 0.05 -1.32 0.01 0.00 -0.37 0.00 0.00 57.07 55.44 3ea2 s TYR 229 Cb -0.14 -1.99 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3ea2 s TYR 229 CO 0.03 -0.68 -0.13 0.42 -1.57 0.00 0.00 175.55 173.62 3ea2 s ILE 230 N 1.31 1.83 -0.31 2.71 1.01 -0.31 -0.19 121.20 127.24 3ea2 s ILE 230 Ca 0.04 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3ea2 s ILE 230 Cb -0.14 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.57 3ea2 s ILE 230 CO -0.08 0.24 -0.01 0.21 0.00 0.00 0.00 174.94 175.31 3ea2 s ASN 231 N 1.33 4.74 -0.25 3.58 3.84 0.54 -1.31 114.94 127.42 3ea2 s ASN 231 Ca -0.01 -1.62 -0.24 0.00 0.21 0.00 0.00 52.86 51.21 3ea2 s ASN 231 Cb -0.16 -1.65 -0.01 0.00 -0.55 0.00 0.00 41.25 38.89 3ea2 s ASN 231 CO -0.09 -0.29 0.80 -0.36 -2.79 0.00 0.00 177.10 174.37 3ea2 s PHE 232 N 1.10 3.30 -1.37 0.43 0.40 -0.78 -1.30 117.98 119.76 3ea2 s PHE 232 Ca -0.01 1.08 0.24 0.00 -0.60 0.00 0.00 56.93 57.64 3ea2 s PHE 232 Cb -0.20 -3.03 0.29 0.00 0.51 0.00 0.00 43.02 40.59 3ea2 s PHE 232 CO -0.05 -0.40 1.27 0.25 0.70 0.00 0.00 175.22 176.99 3ea2 n THR 233 N 5.26 0.00 -2.33 0.64 -2.24 -0.40 -4.83 114.28 110.38 3ea2 n THR 233 Ca 0.05 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 3ea2 n THR 233 Cb 0.48 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 3ea2 n THR 233 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ea2 s SER 234 N -2.79 6.22 -0.03 3.42 1.04 -1.25 -4.85 113.70 115.47 3ea2 s SER 234 Ca 0.15 2.21 0.01 0.00 0.48 0.00 0.00 55.95 58.80 3ea2 s SER 234 Cb 0.18 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.72 3ea2 s SER 234 CO 0.68 -0.87 -0.03 -0.22 0.98 0.00 0.00 173.24 173.77 3ea2 s LEU 235 N -3.11 1.51 0.60 2.42 2.96 -1.26 -4.71 118.68 117.09 3ea2 s LEU 235 Ca 0.64 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.29 3ea2 s LEU 235 Cb -0.26 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 3ea2 s LEU 235 CO 0.31 -0.03 1.21 -0.94 -1.32 0.00 0.00 176.35 175.58 3ea2 s SER 236 N 0.59 5.13 0.64 3.68 1.04 0.35 -4.40 113.70 120.73 3ea2 s SER 236 Ca -0.07 2.38 -0.18 0.00 0.48 0.00 0.00 55.95 58.56 3ea2 s SER 236 Cb -0.10 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 3ea2 s SER 236 CO -0.01 -1.63 1.23 -0.24 0.98 0.00 0.00 173.24 173.57 3ea2 n SER 237 N -1.68 1.81 -0.85 7.02 2.88 -1.26 -4.77 113.62 116.77 3ea2 n SER 237 Ca 0.14 0.83 0.11 0.00 -1.33 0.00 0.00 58.87 58.61 3ea2 n SER 237 Cb 0.50 -1.52 0.09 0.00 -0.75 0.00 0.00 64.21 62.52 3ea2 n SER 237 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ea2 n GLY 238 N 1.00 0.73 0.56 0.46 0.00 0.91 -4.96 105.19 103.89 3ea2 n GLY 238 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3ea2 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ea2 n GLY 239 N 1.20 0.57 3.58 -0.02 0.00 -1.26 -5.00 105.19 104.26 3ea2 n GLY 239 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3ea2 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ea2 s THR 240 N -2.25 1.16 0.24 2.61 -4.23 -1.26 -4.93 115.64 106.97 3ea2 s THR 240 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3ea2 s THR 240 Cb 0.00 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 3ea2 s THR 240 CO 0.00 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.68 3ea2 h ALA 241 N 1.75 0.89 0.00 3.99 0.00 -1.97 -2.30 119.26 121.62 3ea2 h ALA 241 Ca -0.41 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3ea2 h ALA 241 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ea2 h ALA 241 CO 0.69 0.66 0.00 -2.67 0.00 0.00 0.00 179.25 177.93 3ea2 n TRP 242 N -3.98 0.52 -2.21 0.00 4.27 -1.26 -3.69 117.44 111.10 3ea2 n TRP 242 Ca -0.02 0.16 -0.01 0.00 -3.89 0.00 0.00 57.50 53.74 3ea2 n TRP 242 Cb 0.55 -0.76 0.08 0.00 -1.36 0.00 0.00 31.31 29.82 3ea2 n TRP 242 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 3ea2 n ASN 243 N -1.93 1.97 -4.92 -0.67 0.23 -1.16 -4.73 115.26 104.05 3ea2 n ASN 243 Ca 0.06 -2.87 -0.27 0.00 -0.53 0.00 0.00 54.58 50.97 3ea2 n ASN 243 Cb 0.37 -0.41 0.06 0.00 -2.08 0.00 0.00 39.78 37.72 3ea2 n ASN 243 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3ea2 s SER 244 N -2.98 5.11 0.49 0.53 1.04 -0.88 -0.06 113.70 116.96 3ea2 s SER 244 Ca 0.37 0.63 0.17 0.00 0.48 0.00 0.00 55.95 57.59 3ea2 s SER 244 Cb 0.37 -1.39 1.20 0.00 0.10 0.00 0.00 66.02 66.30 3ea2 s SER 244 CO -0.08 -1.42 2.07 -0.65 0.98 0.00 0.00 173.24 174.14 3ea2 h PRO 245 N -0.50 0.14 -0.26 4.02 0.11 -1.77 -1.63 132.00 132.12 3ea2 h PRO 245 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3ea2 h PRO 245 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ea2 h PRO 245 CO 0.61 0.09 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.42 3ea2 h TYR 246 N 0.15 0.66 -0.06 0.65 3.20 -1.92 0.04 116.97 119.69 3ea2 h TYR 246 Ca 0.13 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3ea2 h TYR 246 Cb 0.33 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 3ea2 h TYR 246 CO -0.00 0.83 0.03 1.03 -1.64 0.00 0.00 178.16 178.42 3ea2 h SER 247 N 0.29 0.07 -0.36 -2.11 0.87 -1.57 0.54 113.55 111.29 3ea2 h SER 247 Ca 0.06 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3ea2 h SER 247 Cb 0.67 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3ea2 h SER 247 CO 0.04 0.12 0.18 1.88 -0.53 0.00 0.00 176.83 178.52 3ea2 h TYR 248 N 0.02 0.51 -1.00 2.24 0.05 -1.35 -2.91 116.97 114.53 3ea2 h TYR 248 Ca 0.02 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3ea2 h TYR 248 Cb 0.06 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.58 3ea2 h TYR 248 CO -0.05 0.43 0.65 0.00 -1.05 0.00 0.00 178.16 178.13 3ea2 h ALA 249 N 1.03 1.35 -0.04 3.88 0.00 -0.76 -0.29 119.26 124.43 3ea2 h ALA 249 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ea2 h ALA 249 Cb 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ea2 h ALA 249 CO -0.02 0.51 0.08 0.66 0.00 0.00 0.00 179.25 180.48 3ea2 h SER 250 N 1.23 0.00 0.00 0.00 4.64 -0.68 -1.76 113.55 116.98 3ea2 h SER 250 Ca 0.41 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.43 3ea2 h SER 250 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.10 3ea2 h SER 250 CO -0.14 0.00 -2.12 -1.54 -0.87 0.00 0.00 176.83 172.16 3ea2 n SER 251 N -3.42 2.33 -0.13 4.97 3.41 -0.77 -4.56 113.62 115.45 3ea2 n SER 251 Ca -0.02 -0.05 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 3ea2 n SER 251 Cb 0.16 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3ea2 n SER 251 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3ea2 h ILE 252 N -0.11 1.23 -0.01 -1.33 2.04 -0.95 -2.34 117.51 116.04 3ea2 h ILE 252 Ca -0.45 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 64.66 3ea2 h ILE 252 Cb 1.64 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3ea2 h ILE 252 CO -0.11 0.27 -0.15 0.78 0.00 0.00 0.00 178.15 178.94 3ea2 h ASN 253 N 0.46 -0.44 -0.50 1.72 2.35 -1.56 -0.04 115.58 117.57 3ea2 h ASN 253 Ca 0.12 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3ea2 h ASN 253 Cb 0.31 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3ea2 h ASN 253 CO 0.00 -0.21 0.05 -0.65 -1.65 0.00 0.00 177.43 174.97 3ea2 h PRO 254 N -0.25 0.90 0.28 0.81 0.11 -1.77 -0.61 132.00 131.48 3ea2 h PRO 254 Ca 0.05 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 3ea2 h PRO 254 Cb 0.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3ea2 h PRO 254 CO -0.15 0.87 -0.14 1.49 -0.21 0.00 0.00 178.00 179.86 3ea2 h GLU 255 N 0.85 -0.37 -0.52 1.05 4.57 -1.02 -1.41 114.58 117.73 3ea2 h GLU 255 Ca 0.17 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.25 3ea2 h GLU 255 Cb 0.43 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3ea2 h GLU 255 CO 0.01 -0.19 -0.15 0.82 -1.18 0.00 0.00 179.01 178.32 3ea2 h ILE 256 N -0.45 1.27 -1.00 2.32 1.08 -0.97 -2.76 117.51 117.00 3ea2 h ILE 256 Ca -0.04 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.20 3ea2 h ILE 256 Cb 0.34 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 3ea2 h ILE 256 CO 0.06 0.46 0.64 0.00 -0.69 0.00 0.00 178.15 178.63 3ea2 h ALA 257 N 0.90 1.44 -0.40 1.87 0.00 -1.02 -1.17 119.26 120.89 3ea2 h ALA 257 Ca 0.13 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ea2 h ALA 257 Cb 0.73 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ea2 h ALA 257 CO 0.06 0.38 -0.12 -0.97 0.00 0.00 0.00 179.25 178.59 3ea2 h ASN 258 N 1.12 0.70 -0.33 0.00 -0.00 -1.00 -1.49 115.58 114.59 3ea2 h ASN 258 Ca 0.45 -0.21 0.03 0.00 -0.00 0.00 0.00 56.30 56.58 3ea2 h ASN 258 Cb 0.26 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.36 3ea2 h ASN 258 CO -0.20 0.85 0.12 0.44 -0.00 0.00 0.00 177.43 178.64 3ea2 h ASP 259 N 0.64 0.15 -0.20 1.15 3.32 -0.95 0.71 116.42 121.24 3ea2 h ASP 259 Ca 0.11 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3ea2 h ASP 259 Cb 0.58 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3ea2 h ASP 259 CO 0.04 0.12 0.07 0.40 -1.72 0.00 0.00 179.24 178.15 3ea2 h ILE 260 N 0.27 1.18 -0.09 0.35 2.04 -1.27 -1.05 117.51 118.94 3ea2 h ILE 260 Ca 0.15 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3ea2 h ILE 260 Cb 0.11 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3ea2 h ILE 260 CO -0.14 0.17 -0.13 0.50 0.00 0.00 0.00 178.15 178.55 3ea2 h LYS 261 N 0.16 -0.17 -0.54 2.37 3.64 -0.90 0.68 116.57 121.81 3ea2 h LYS 261 Ca 0.07 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3ea2 h LYS 261 Cb 0.21 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ea2 h LYS 261 CO -0.00 -0.11 -0.07 1.96 -2.27 0.00 0.00 179.45 178.95 3ea2 h GLN 262 N -0.18 0.99 0.08 1.90 1.08 -0.82 -3.21 115.11 114.95 3ea2 h GLN 262 Ca 0.08 -0.34 -0.25 0.00 -1.45 0.00 0.00 58.65 56.69 3ea2 h GLN 262 Cb 0.29 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3ea2 h GLN 262 CO -0.20 1.02 -1.13 0.87 -0.95 0.00 0.00 178.83 178.44 3ea2 h LYS 263 N 0.89 0.19 -6.00 1.46 1.57 -0.96 -3.49 116.57 110.23 3ea2 h LYS 263 Ca 0.15 -0.30 -0.38 0.00 -1.87 0.00 0.00 60.65 58.24 3ea2 h LYS 263 Cb 0.62 0.11 0.10 0.00 0.08 0.00 0.00 32.23 33.15 3ea2 h LYS 263 CO 0.04 1.13 -0.89 -1.71 -0.57 0.00 0.00 179.45 177.45 3ea2 n ASN 264 N -3.50 -4.50 -4.71 0.86 2.85 0.23 -4.99 115.26 101.50 3ea2 n ASN 264 Ca -0.05 -0.89 -0.29 0.00 -0.11 0.00 0.00 54.58 53.23 3ea2 n ASN 264 Cb 0.97 -4.00 0.13 0.00 1.24 0.00 0.00 39.78 38.12 3ea2 n ASN 264 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3ea2 s PRO 265 N -5.60 1.31 0.00 1.20 0.04 -1.26 -5.01 135.00 125.69 3ea2 s PRO 265 Ca 0.34 0.12 0.22 0.00 0.04 0.00 0.00 61.00 61.73 3ea2 s PRO 265 Cb -0.10 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.68 3ea2 s PRO 265 CO 0.82 -2.05 1.16 0.25 0.04 0.00 0.00 177.00 177.22 3ea2 n THR 266 N -3.63 0.00 -3.64 1.26 -2.24 -1.26 -4.65 114.28 100.12 3ea2 n THR 266 Ca 0.08 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 3ea2 n THR 266 Cb 0.60 1.39 -0.07 0.00 -2.10 0.00 0.00 70.33 70.15 3ea2 n THR 266 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3ea2 s ARG 267 N -2.07 0.57 0.00 -0.78 3.52 -1.25 -4.65 118.95 114.28 3ea2 s ARG 267 Ca 0.23 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 3ea2 s ARG 267 Cb 0.18 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3ea2 s ARG 267 CO 0.38 -0.11 0.16 1.33 -0.81 0.00 0.00 175.30 176.25 3ea2 n VAL 268 N 3.82 0.00 -2.78 7.11 0.24 -1.26 -3.41 118.33 122.05 3ea2 n VAL 268 Ca -0.19 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3ea2 n VAL 268 Cb 0.58 1.31 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3ea2 n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ea2 n GLY 269 N 0.19 -1.89 3.42 7.63 0.00 -1.26 -4.70 105.19 108.57 3ea2 n GLY 269 Ca 0.00 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 43.98 3ea2 n GLY 269 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ea2 s TRP 270 N 0.00 2.85 -0.55 1.61 0.52 0.73 -1.93 118.94 122.16 3ea2 s TRP 270 Ca 0.00 -0.80 -0.19 0.00 0.02 0.00 0.00 56.10 55.13 3ea2 s TRP 270 Cb 0.00 -4.17 0.08 0.00 -1.15 0.00 0.00 33.47 28.23 3ea2 s TRP 270 CO 0.00 -1.48 0.69 0.08 0.02 0.00 0.00 176.95 176.26 3ea2 s VAL 271 N 3.34 4.80 -0.35 4.03 1.01 -0.63 -0.34 120.40 132.27 3ea2 s VAL 271 Ca 0.18 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 3ea2 s VAL 271 Cb -0.19 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.78 3ea2 s VAL 271 CO 0.07 -0.99 0.61 -0.63 0.00 0.00 0.00 175.10 174.16 3ea2 s ILE 272 N 2.78 4.92 0.33 2.22 -1.09 -0.42 -1.34 121.20 128.61 3ea2 s ILE 272 Ca 0.14 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 59.21 3ea2 s ILE 272 Cb -0.21 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.56 3ea2 s ILE 272 CO 0.10 -0.28 -0.11 0.00 -1.23 0.00 0.00 174.94 173.42 3ea2 s GLN 273 N 2.63 1.80 0.31 2.79 -2.07 0.58 -1.28 119.66 124.42 3ea2 s GLN 273 Ca 0.23 -1.91 0.00 0.00 -1.82 0.00 0.00 55.36 51.86 3ea2 s GLN 273 Cb -0.15 -1.70 -0.04 0.00 -1.09 0.00 0.00 33.01 30.04 3ea2 s GLN 273 CO 0.14 0.16 0.51 -0.51 -1.32 0.00 0.00 175.29 174.27 3ea2 s ASP 274 N -3.59 6.33 -0.95 12.60 1.01 -1.26 -0.89 116.67 129.91 3ea2 s ASP 274 Ca 0.32 0.44 -0.11 0.00 0.71 0.00 0.00 52.55 53.91 3ea2 s ASP 274 Cb 0.02 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.93 3ea2 s ASP 274 CO 0.16 -0.23 0.64 -1.22 0.21 0.00 0.00 175.17 174.73 3ea2 n TYR 275 N -1.49 -1.88 -2.34 4.23 4.02 0.22 -4.89 117.16 115.02 3ea2 n TYR 275 Ca -0.05 0.61 -0.43 0.00 -0.01 0.00 0.00 57.90 58.03 3ea2 n TYR 275 Cb 0.56 -2.84 -0.02 0.00 -0.02 0.00 0.00 39.34 37.01 3ea2 n TYR 275 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3ea2 s ILE 276 N -3.16 4.07 0.06 -0.72 2.07 -1.26 -4.92 121.20 117.35 3ea2 s ILE 276 Ca 0.16 1.36 -0.03 0.00 -1.41 0.00 0.00 60.65 60.73 3ea2 s ILE 276 Cb -0.08 -3.88 0.01 0.00 0.13 0.00 0.00 42.46 38.64 3ea2 s ILE 276 CO 0.91 -0.07 0.17 -0.46 -1.91 0.00 0.00 174.94 173.59 3ea2 n ASN 277 N 6.05 -0.42 -0.59 4.50 0.23 -1.26 -4.76 115.26 119.01 3ea2 n ASN 277 Ca 0.13 -1.27 0.05 0.00 -0.53 0.00 0.00 54.58 52.97 3ea2 n ASN 277 Cb 0.45 0.69 0.20 0.00 -2.08 0.00 0.00 39.78 39.03 3ea2 n ASN 277 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ea2 n GLU 278 N -0.12 1.60 0.13 -3.83 1.02 -1.26 -4.75 120.64 113.44 3ea2 n GLU 278 Ca -0.01 -3.15 -0.23 0.00 -0.02 0.00 0.00 57.16 53.74 3ea2 n GLU 278 Cb 0.12 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 29.75 3ea2 n GLU 278 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ea2 h LYS 279 N 0.85 0.48 -5.72 3.49 3.64 -1.97 -3.46 116.57 113.88 3ea2 h LYS 279 Ca 0.03 -0.82 -0.66 0.00 -1.27 0.00 0.00 60.65 57.93 3ea2 h LYS 279 Cb 1.10 0.30 -0.22 0.00 -0.41 0.00 0.00 32.23 33.00 3ea2 h LYS 279 CO 0.06 1.39 -0.71 -1.58 -2.27 0.00 0.00 179.45 176.33 3ea2 s TRP 280 N -2.61 2.90 0.01 1.91 0.51 -1.26 -5.12 118.94 115.28 3ea2 s TRP 280 Ca -0.09 -0.26 0.06 0.00 -2.12 0.00 0.00 56.10 53.69 3ea2 s TRP 280 Cb 0.05 -1.81 -0.03 0.00 -0.81 0.00 0.00 33.47 30.87 3ea2 s TRP 280 CO 0.93 0.07 -0.16 0.45 -0.51 0.00 0.00 176.95 177.73 3ea2 s SER 281 N -0.18 3.92 0.84 2.95 0.15 -1.26 -3.80 113.70 116.32 3ea2 s SER 281 Ca 0.02 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.23 3ea2 s SER 281 Cb -0.13 -0.72 0.09 0.00 -1.71 0.00 0.00 66.02 63.55 3ea2 s SER 281 CO 0.03 0.29 1.10 -2.84 1.20 0.00 0.00 173.24 173.01 3ea2 s PRO 282 N -1.20 1.74 -0.28 5.44 0.02 -1.26 -4.86 135.00 134.60 3ea2 s PRO 282 Ca 0.14 1.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.01 3ea2 s PRO 282 Cb -0.11 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 3ea2 s PRO 282 CO 0.04 -1.98 0.78 -0.51 -0.33 0.00 0.00 177.00 175.00 3ea2 s LEU 283 N -6.11 4.08 0.11 -5.54 1.43 -1.25 -4.41 118.68 106.98 3ea2 s LEU 283 Ca 0.63 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 3ea2 s LEU 283 Cb -0.18 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 3ea2 s LEU 283 CO 0.57 -0.55 1.61 0.25 0.23 0.00 0.00 176.35 178.45 3ea2 h LEU 284 N 9.31 -1.02 -1.65 1.79 5.85 -1.85 -1.51 115.31 126.22 3ea2 h LEU 284 Ca -0.24 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3ea2 h LEU 284 Cb 1.10 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 3ea2 h LEU 284 CO 0.87 -0.46 0.34 0.10 -0.34 0.00 0.00 178.44 178.94 3ea2 h TYR 285 N -0.64 0.44 -0.21 1.25 -0.00 -1.93 -0.65 116.97 115.22 3ea2 h TYR 285 Ca 0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 58.69 3ea2 h TYR 285 Cb 0.64 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 37.22 3ea2 h TYR 285 CO -0.28 0.23 -0.11 0.37 -0.00 0.00 0.00 178.16 178.38 3ea2 h GLN 286 N 0.43 0.44 -0.16 0.10 4.15 -1.77 -1.82 115.11 116.48 3ea2 h GLN 286 Ca 0.22 -0.20 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 3ea2 h GLN 286 Cb 0.31 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ea2 h GLN 286 CO -0.06 0.73 -0.23 0.93 -1.93 0.00 0.00 178.83 178.27 3ea2 h GLU 287 N 0.15 0.29 -0.43 1.69 4.39 -0.65 -1.15 114.58 118.86 3ea2 h GLU 287 Ca 0.05 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3ea2 h GLU 287 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3ea2 h GLU 287 CO 0.03 0.51 0.11 0.28 -1.16 0.00 0.00 179.01 178.79 3ea2 h VAL 288 N 0.26 1.23 -0.39 3.13 2.07 -1.01 -2.40 116.25 119.15 3ea2 h VAL 288 Ca 0.04 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3ea2 h VAL 288 Cb 0.56 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ea2 h VAL 288 CO 0.04 0.28 0.10 0.40 0.02 0.00 0.00 177.57 178.41 3ea2 h ILE 289 N 0.57 1.22 0.00 4.57 2.04 -0.97 -2.69 117.51 122.24 3ea2 h ILE 289 Ca 0.14 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3ea2 h ILE 289 Cb 0.31 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3ea2 h ILE 289 CO 0.00 0.26 0.00 0.03 0.00 0.00 0.00 178.15 178.44 3ea2 h ARG 290 N 0.48 0.00 0.00 2.37 3.08 -1.06 -2.02 114.38 117.23 3ea2 h ARG 290 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3ea2 h ARG 290 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3ea2 h ARG 290 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3ea2 n ALA 291 N -2.02 2.31 0.60 0.04 0.00 -0.92 -2.19 120.51 118.33 3ea2 n ALA 291 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3ea2 n ALA 291 Cb 0.13 -1.23 0.23 0.00 0.00 0.00 0.00 19.45 18.58 3ea2 n ALA 291 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ea2 n ASN 292 N -0.81 3.04 -0.33 0.00 3.02 -0.76 -3.83 115.26 115.59 3ea2 n ASN 292 Ca 0.11 -1.94 0.17 0.00 -0.03 0.00 0.00 54.58 52.89 3ea2 n ASN 292 Cb 0.05 -0.18 0.41 0.00 -0.61 0.00 0.00 39.78 39.44 3ea2 n ASN 292 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3ea2 h LYS 293 N 4.07 0.57 0.00 3.52 2.10 -1.66 -0.49 116.57 124.68 3ea2 h LYS 293 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3ea2 h LYS 293 Cb 0.89 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3ea2 h LYS 293 CO 0.00 0.38 0.00 0.66 -2.00 0.00 0.00 179.45 178.49 3ea2 h SER 294 N 0.59 0.00 1.49 7.07 4.64 -1.87 -2.96 113.55 122.51 3ea2 h SER 294 Ca 0.58 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3ea2 h SER 294 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3ea2 h SER 294 CO -0.35 0.00 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.50 3ea2 h LEU 295 N 0.00 0.00 0.00 5.97 3.38 -1.42 -3.53 115.31 119.71 3ea2 h LEU 295 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ea2 h LEU 295 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ea2 h LEU 295 CO 0.00 0.04 0.00 -0.38 0.09 0.00 0.00 178.44 178.19