#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 1.49 0.21 0.00 0.01 -1.26 -5.00 113.70 109.16 3ea2 s SER 2 Ca 0.00 -0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.20 3ea2 s SER 2 Cb 0.00 -0.56 -0.05 0.00 0.21 0.00 0.00 66.02 65.62 3ea2 s SER 2 CO 0.00 -0.11 -0.20 -0.94 0.41 0.00 0.00 173.24 172.41 3ea2 s SER 3 N 1.40 3.14 0.51 2.44 1.04 -1.26 -5.04 113.70 115.93 3ea2 s SER 3 Ca -0.03 -0.94 0.23 0.00 0.48 0.00 0.00 55.95 55.69 3ea2 s SER 3 Cb -0.13 -0.22 1.37 0.00 0.10 0.00 0.00 66.02 67.14 3ea2 s SER 3 CO -0.03 0.01 2.09 -0.37 0.98 0.00 0.00 173.24 175.92 3ea2 h VAL 4 N 2.83 0.78 0.00 5.02 -1.51 -1.97 -2.48 116.25 118.92 3ea2 h VAL 4 Ca -0.42 -0.40 -0.02 0.00 -1.23 0.00 0.00 66.70 64.63 3ea2 h VAL 4 Cb 1.23 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3ea2 h VAL 4 CO 0.55 0.10 -0.08 0.78 -1.23 0.00 0.00 177.57 177.69 3ea2 h ASN 5 N 0.00 0.00 0.25 4.19 2.35 -2.00 -2.71 115.58 117.66 3ea2 h ASN 5 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ea2 h ASN 5 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3ea2 h ASN 5 CO 0.01 0.08 0.00 -0.62 -1.65 0.00 0.00 177.43 175.25 3ea2 n GLU 6 N -3.24 0.08 0.08 0.81 1.02 -0.93 -0.54 120.64 117.91 3ea2 n GLU 6 Ca 0.00 0.48 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 3ea2 n GLU 6 Cb 0.32 -1.72 0.46 0.00 -0.02 0.00 0.00 31.44 30.49 3ea2 n GLU 6 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ea2 n LEU 7 N -1.88 0.48 0.00 -4.62 4.77 -1.02 -2.90 117.00 111.83 3ea2 n LEU 7 Ca 0.01 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3ea2 n LEU 7 Cb 0.09 -0.46 0.60 0.00 -2.33 0.00 0.00 43.42 41.32 3ea2 n LEU 7 CO 0.10 -0.27 0.93 -0.62 -1.33 0.00 0.00 177.39 176.20 3ea2 n GLU 8 N -1.99 0.00 -2.92 3.23 -0.58 0.30 -4.46 120.64 114.22 3ea2 n GLU 8 Ca 0.05 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.35 3ea2 n GLU 8 Cb 0.31 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 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 -3.02 6.28 0.35 1.62 3.84 -1.14 -4.88 114.94 118.00 3ea2 s ASN 9 Ca 0.14 -1.32 0.23 0.00 0.21 0.00 0.00 52.86 52.12 3ea2 s ASN 9 Cb 0.19 -2.39 1.23 0.00 -0.55 0.00 0.00 41.25 39.73 3ea2 s ASN 9 CO 0.54 -1.29 1.68 -0.50 -2.79 0.00 0.00 177.10 174.74 3ea2 h TRP 10 N 9.33 0.00 0.00 0.43 -0.00 -1.83 0.16 115.95 124.03 3ea2 h TRP 10 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.70 3ea2 h TRP 10 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.22 3ea2 h TRP 10 CO 0.99 0.00 -0.85 0.43 -0.00 0.00 0.00 178.44 179.00 3ea2 n SER 11 N -2.31 0.69 -1.48 -3.49 7.64 -1.26 -2.83 113.62 110.59 3ea2 n SER 11 Ca -0.02 -0.49 0.02 0.00 1.01 0.00 0.00 58.87 59.39 3ea2 n SER 11 Cb 0.07 0.70 0.01 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.65 0.08 0.29 1.43 5.02 -0.23 -4.83 118.16 118.27 3ea2 n LYS 12 Ca 0.04 -1.88 0.16 0.00 -2.02 0.00 0.00 58.31 54.61 3ea2 n LYS 12 Cb 0.37 0.03 0.88 0.00 -0.02 0.00 0.00 35.03 36.28 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 0.89 0.00 0.00 2.13 5.08 -0.96 -2.23 115.95 120.86 3ea2 h TRP 13 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 3ea2 h TRP 13 Cb 1.79 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.95 3ea2 h TRP 13 CO 0.13 0.05 0.00 -1.33 -1.28 0.00 0.00 178.44 176.01 3ea2 n MET 14 N -3.46 0.00 -0.07 0.12 2.81 -1.26 -4.04 117.12 111.22 3ea2 n MET 14 Ca -0.02 0.02 -0.07 0.00 -1.81 0.00 0.00 57.70 55.81 3ea2 n MET 14 Cb 0.18 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 0.16 0.00 0.03 4.15 -1.61 -2.69 115.11 115.14 3ea2 h GLN 15 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3ea2 h GLN 15 Cb 0.48 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3ea2 h GLN 15 CO 0.00 0.10 0.00 -0.35 -1.93 0.00 0.00 178.83 176.65 3ea2 n PRO 16 N -5.08 0.12 -2.74 -2.39 -0.04 -1.26 -4.76 135.00 118.85 3ea2 n PRO 16 Ca -0.01 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 3ea2 n PRO 16 Cb 0.12 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 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 -3.18 4.59 0.51 0.52 1.01 -1.02 -4.66 121.20 118.98 3ea2 s ILE 17 Ca 0.06 2.05 -0.22 0.00 0.00 0.00 0.00 60.65 62.53 3ea2 s ILE 17 Cb 0.10 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 3ea2 s ILE 17 CO 0.35 0.29 1.19 -2.65 0.00 0.00 0.00 174.94 174.12 3ea2 n PRO 18 N 3.03 1.50 0.05 2.79 -0.02 -1.26 -4.91 135.00 136.17 3ea2 n PRO 18 Ca 0.03 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3ea2 n PRO 18 Cb 0.50 -2.35 0.54 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.36 0.24 -0.00 2.55 5.19 -1.94 -2.72 116.42 121.10 3ea2 h ASP 19 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3ea2 h ASP 19 Cb 1.32 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3ea2 h ASP 19 CO 0.56 0.16 0.00 -0.46 -3.12 0.00 0.00 179.24 176.38 3ea2 n ASN 20 N -4.48 0.29 -4.69 6.45 0.23 -1.26 -0.94 115.26 110.86 3ea2 n ASN 20 Ca 0.04 -1.10 -0.42 0.00 -0.53 0.00 0.00 54.58 52.57 3ea2 n ASN 20 Cb 0.23 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 3ea2 n ASN 20 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3ea2 s ILE 21 N -2.00 4.85 0.36 1.53 -1.09 -1.03 -4.86 121.20 118.97 3ea2 s ILE 21 Ca 0.46 1.89 -0.28 0.00 -2.23 0.00 0.00 60.65 60.49 3ea2 s ILE 21 Cb 0.22 -4.25 -0.10 0.00 -1.58 0.00 0.00 42.46 36.75 3ea2 s ILE 21 CO 0.36 0.07 1.32 -2.84 -1.23 0.00 0.00 174.94 172.62 3ea2 s PRO 22 N 1.71 4.18 0.48 2.79 0.02 -1.26 -1.24 135.00 141.68 3ea2 s PRO 22 Ca 0.46 2.23 0.20 0.00 0.02 0.00 0.00 61.00 63.90 3ea2 s PRO 22 Cb -0.18 -2.94 1.21 0.00 0.02 0.00 0.00 34.50 32.60 3ea2 s PRO 22 CO 0.19 -0.34 1.97 -0.07 -0.33 0.00 0.00 177.00 178.41 3ea2 h LEU 23 N 3.07 0.21 -1.51 -5.54 3.38 -1.28 -0.04 115.31 113.59 3ea2 h LEU 23 Ca -0.49 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3ea2 h LEU 23 Cb 1.24 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3ea2 h LEU 23 CO 0.64 0.11 0.35 0.00 0.09 0.00 0.00 178.44 179.64 3ea2 h ALA 24 N 1.70 1.69 -0.14 1.53 0.00 -1.87 -2.62 119.26 119.56 3ea2 h ALA 24 Ca 0.29 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 3ea2 h ALA 24 Cb 0.85 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3ea2 h ALA 24 CO -0.06 0.26 -0.75 -0.09 0.00 0.00 0.00 179.25 178.61 3ea2 h ARG 25 N 0.65 0.69 -7.05 0.00 9.65 -1.20 -3.42 114.38 113.70 3ea2 h ARG 25 Ca 0.21 -0.55 -0.55 0.00 -1.10 0.00 0.00 59.98 57.98 3ea2 h ARG 25 Cb 0.03 0.11 0.14 0.00 -1.39 0.00 0.00 29.97 28.86 3ea2 h ARG 25 CO -0.05 1.17 0.61 0.42 2.80 0.00 0.00 179.97 184.91 3ea2 s ILE 26 N -3.74 2.07 -0.35 1.20 1.01 -0.99 -4.83 121.20 115.57 3ea2 s ILE 26 Ca -0.09 0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 3ea2 s ILE 26 Cb 0.09 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3ea2 s ILE 26 CO 0.89 -0.00 0.42 -0.44 0.00 0.00 0.00 174.94 175.80 3ea2 s SER 27 N -0.96 6.23 -0.08 3.58 0.01 -1.26 -4.57 113.70 116.65 3ea2 s SER 27 Ca 0.72 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.85 3ea2 s SER 27 Cb -0.40 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3ea2 s SER 27 CO 0.48 -0.39 -0.19 -0.63 0.41 0.00 0.00 173.24 172.91 3ea2 s ILE 28 N 2.15 1.67 0.39 1.44 1.01 -0.75 -4.50 121.20 122.61 3ea2 s ILE 28 Ca 0.14 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 3ea2 s ILE 28 Cb -0.16 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.74 3ea2 s ILE 28 CO 0.12 0.47 0.96 -2.84 0.00 0.00 0.00 174.94 173.66 3ea2 s PRO 29 N 0.39 4.34 0.13 2.79 0.02 -1.26 -1.65 135.00 139.76 3ea2 s PRO 29 Ca -0.15 1.26 -0.02 0.00 0.02 0.00 0.00 61.00 62.11 3ea2 s PRO 29 Cb -0.16 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 3ea2 s PRO 29 CO 0.06 0.06 0.07 0.20 -0.33 0.00 0.00 177.00 177.07 3ea2 s GLY 30 N -1.88 0.89 -0.08 0.52 0.00 -0.04 -1.65 107.32 105.08 3ea2 s GLY 30 Ca 0.57 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.94 3ea2 s GLY 30 CO 0.19 -1.30 -0.18 -0.51 0.00 0.00 0.00 173.10 171.30 3ea2 s THR 31 N -4.03 2.69 0.11 0.90 -4.23 -0.28 -0.68 115.64 110.12 3ea2 s THR 31 Ca 0.22 -0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 59.65 3ea2 s THR 31 Cb 0.07 -2.06 -0.07 0.00 1.34 0.00 0.00 72.50 71.79 3ea2 s THR 31 CO 0.01 0.56 0.74 -2.28 -0.54 0.00 0.00 174.62 173.11 3ea2 s HIS 32 N -0.19 3.84 -1.41 3.99 2.46 -0.01 -2.33 115.29 121.63 3ea2 s HIS 32 Ca -0.01 1.53 -0.09 0.00 0.47 0.00 0.00 55.06 56.96 3ea2 s HIS 32 Cb -0.13 -2.75 0.01 0.00 -0.13 0.00 0.00 32.58 29.58 3ea2 s HIS 32 CO 0.03 0.45 0.31 -0.25 -2.47 0.00 0.00 174.74 172.81 3ea2 n ASP 33 N 2.01 -0.90 -0.37 9.88 8.00 -1.25 -4.73 116.55 129.19 3ea2 n ASP 33 Ca -0.05 -1.19 0.27 0.00 0.71 0.00 0.00 54.79 54.53 3ea2 n ASP 33 Cb 0.49 -2.12 0.54 0.00 -0.02 0.00 0.00 41.12 40.01 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 -1.99 0.41 -0.32 -2.24 0.02 -1.61 -2.93 113.55 104.89 3ea2 h SER 34 Ca -0.66 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 3ea2 h SER 34 Cb 1.39 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.00 3ea2 h SER 34 CO 0.63 -0.07 0.04 0.61 -1.14 0.00 0.00 176.83 176.91 3ea2 n GLY 35 N -1.43 2.38 0.78 -3.77 0.00 -1.26 -4.29 105.19 97.60 3ea2 n GLY 35 Ca 0.31 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.23 0.52 0.51 2.61 -2.24 -1.11 -4.45 114.28 110.34 3ea2 n THR 36 Ca 0.16 -0.55 0.06 0.00 -2.27 0.00 0.00 64.05 61.45 3ea2 n THR 36 Cb 0.78 0.34 0.29 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.74 0.00 1.02 4.78 -1.74 -1.25 -2.79 117.46 118.22 3ea2 n PHE 37 Ca 0.15 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.15 3ea2 n PHE 37 Cb 0.37 -0.40 0.02 0.00 1.52 0.00 0.00 39.48 40.99 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 -1.40 0.28 -1.71 3.97 5.02 -1.26 -4.79 118.16 118.28 3ea2 n LYS 38 Ca 0.04 -0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 3ea2 n LYS 38 Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3ea2 n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ea2 n LEU 39 N -1.17 3.74 -0.04 -0.35 4.77 -1.12 -4.90 117.00 117.94 3ea2 n LEU 39 Ca 0.06 1.08 -0.07 0.00 -0.03 0.00 0.00 56.01 57.06 3ea2 n LEU 39 Cb 0.36 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 3ea2 n LEU 39 CO 0.37 0.00 -0.74 0.00 -1.33 0.00 0.00 177.39 175.69 3ea2 n GLN 40 N 3.43 0.17 -1.66 3.23 6.02 -1.26 -4.91 117.38 122.40 3ea2 n GLN 40 Ca 0.15 0.06 -0.46 0.00 -0.01 0.00 0.00 57.00 56.73 3ea2 n GLN 40 Cb 0.33 -0.94 -0.04 0.00 1.02 0.00 0.00 30.24 30.61 3ea2 n GLN 40 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3ea2 n ASN 41 N -3.04 3.60 -0.35 1.08 2.85 -1.26 -4.83 115.26 113.31 3ea2 n ASN 41 Ca -0.14 0.86 0.22 0.00 -0.11 0.00 0.00 54.58 55.42 3ea2 n ASN 41 Cb 0.62 -1.43 0.46 0.00 1.24 0.00 0.00 39.78 40.67 3ea2 n ASN 41 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ea2 h PRO 42 N 10.29 0.41 -0.52 1.20 0.11 -1.98 0.93 132.00 142.43 3ea2 h PRO 42 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3ea2 h PRO 42 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3ea2 h PRO 42 CO 0.95 0.27 0.14 0.82 -0.21 0.00 0.00 178.00 179.97 3ea2 h ILE 43 N 0.42 1.24 -0.38 4.15 2.04 -2.00 -1.14 117.51 121.84 3ea2 h ILE 43 Ca 0.68 -0.83 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 3ea2 h ILE 43 Cb 1.54 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3ea2 h ILE 43 CO -0.47 0.30 -0.37 0.11 0.00 0.00 0.00 178.15 177.72 3ea2 h LYS 44 N 0.72 0.92 -0.03 2.37 1.57 -1.29 -3.23 116.57 117.60 3ea2 h LYS 44 Ca 0.17 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ea2 h LYS 44 Cb 0.31 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ea2 h LYS 44 CO -0.00 1.14 0.02 1.96 -0.57 0.00 0.00 179.45 181.99 3ea2 h GLN 45 N 0.73 0.05 -0.29 3.15 4.20 -0.76 0.86 115.11 123.05 3ea2 h GLN 45 Ca 0.06 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.80 3ea2 h GLN 45 Cb 0.97 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3ea2 h GLN 45 CO 0.09 0.15 0.20 -0.24 -0.67 0.00 0.00 178.83 178.36 3ea2 h VAL 46 N -0.07 0.99 0.13 -0.54 3.04 -1.30 -0.93 116.25 117.57 3ea2 h VAL 46 Ca 0.01 -0.09 -0.34 0.00 -1.01 0.00 0.00 66.70 65.27 3ea2 h VAL 46 Cb 0.12 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 3ea2 h VAL 46 CO -0.00 0.05 -1.82 -0.50 -1.01 0.00 0.00 177.57 174.28 3ea2 h TRP 47 N 0.25 0.48 0.00 3.17 4.06 -1.54 -3.40 115.95 118.97 3ea2 h TRP 47 Ca 0.12 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.72 3ea2 h TRP 47 Cb 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3ea2 h TRP 47 CO -0.00 1.72 0.00 0.41 -3.56 0.00 0.00 178.44 177.01 3ea2 n GLY 48 N 1.89 -0.63 3.72 1.49 0.00 0.28 -4.43 105.19 107.50 3ea2 n GLY 48 Ca -0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.01 4.55 0.00 1.61 0.00 -0.36 -4.90 119.30 120.19 3ea2 s MET 49 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 55.69 57.24 3ea2 s MET 49 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 34.83 31.43 3ea2 s MET 49 CO 0.00 -0.05 0.11 0.25 0.00 0.00 0.00 175.02 175.33 3ea2 n THR 50 N 3.57 0.00 -3.89 10.11 -2.24 -1.26 -4.61 114.28 115.96 3ea2 n THR 50 Ca 0.06 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 3ea2 n THR 50 Cb 0.49 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.40 0.36 -0.15 -0.78 -1.52 -1.26 0.12 119.66 116.02 3ea2 s GLN 51 Ca 0.00 -0.32 0.19 0.00 -1.95 0.00 0.00 55.36 53.28 3ea2 s GLN 51 Cb 0.00 0.15 -0.27 0.00 -0.22 0.00 0.00 33.01 32.67 3ea2 s GLN 51 CO 0.00 -0.08 0.19 0.39 -0.25 0.00 0.00 175.29 175.55 3ea2 n GLU 52 N 1.86 0.68 -4.35 2.91 1.02 -1.26 -3.80 120.64 117.70 3ea2 n GLU 52 Ca -0.21 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.66 3ea2 n GLU 52 Cb 0.56 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.74 2.57 1.15 -0.32 2.02 -1.26 -4.89 117.35 113.87 3ea2 s TYR 53 Ca -0.09 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.17 3ea2 s TYR 53 Cb 0.08 -1.14 0.26 0.00 -0.40 0.00 0.00 41.96 40.76 3ea2 s TYR 53 CO 0.85 0.65 1.13 0.16 -1.57 0.00 0.00 175.55 176.76 3ea2 s ASP 54 N -3.59 1.41 0.29 2.29 1.47 -1.26 -4.74 116.67 112.55 3ea2 s ASP 54 Ca 0.31 0.67 0.01 0.00 1.18 0.00 0.00 52.55 54.71 3ea2 s ASP 54 Cb -0.06 -0.95 0.53 0.00 -0.34 0.00 0.00 42.92 42.11 3ea2 s ASP 54 CO 0.18 -3.82 1.87 -0.26 0.68 0.00 0.00 175.17 173.82 3ea2 h PHE 55 N -2.38 1.11 -0.32 2.11 0.04 -1.99 -1.96 116.94 113.54 3ea2 h PHE 55 Ca -0.46 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.20 3ea2 h PHE 55 Cb 1.29 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3ea2 h PHE 55 CO -1.67 0.51 -0.34 -0.09 -0.60 0.00 0.00 178.31 176.12 3ea2 h ARG 56 N 1.03 0.72 -0.27 1.51 9.65 -1.92 -0.60 114.38 124.49 3ea2 h ARG 56 Ca 0.45 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3ea2 h ARG 56 Cb 0.35 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3ea2 h ARG 56 CO -0.20 0.96 0.11 -0.92 2.80 0.00 0.00 179.97 182.72 3ea2 h TYR 57 N 0.61 0.41 -0.36 2.20 5.03 -1.82 0.30 116.97 123.34 3ea2 h TYR 57 Ca 0.06 -0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.39 3ea2 h TYR 57 Cb 0.87 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.98 3ea2 h TYR 57 CO 0.04 0.41 0.09 1.96 -1.32 0.00 0.00 178.16 179.35 3ea2 h GLN 58 N 0.30 0.22 -0.32 1.82 4.20 -1.14 -1.49 115.11 118.69 3ea2 h GLN 58 Ca 0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3ea2 h GLN 58 Cb 0.17 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3ea2 h GLN 58 CO -0.01 0.14 0.03 0.52 -0.67 0.00 0.00 178.83 178.84 3ea2 h MET 59 N 0.22 0.55 0.00 1.46 2.86 -0.82 -2.26 114.93 116.95 3ea2 h MET 59 Ca 0.17 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ea2 h MET 59 Cb 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3ea2 h MET 59 CO -0.21 0.66 0.00 -0.25 1.06 0.00 0.00 176.91 178.18 3ea2 n ASP 60 N -4.57 0.50 -1.47 1.22 8.00 0.10 -1.32 116.55 119.00 3ea2 n ASP 60 Ca -0.02 0.69 0.08 0.00 0.71 0.00 0.00 54.79 56.25 3ea2 n ASP 60 Cb 0.24 -0.77 0.34 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.12 1.46 0.00 1.24 8.25 -0.59 -4.16 115.22 119.30 3ea2 n HIS 61 Ca 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 3ea2 n HIS 61 Cb 0.10 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 0.68 2.32 3.75 -1.41 0.00 -0.44 -4.82 105.19 105.27 3ea2 n GLY 62 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.62 3.61 0.00 4.61 0.00 -0.90 -4.48 121.76 121.98 3ea2 s ALA 63 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3ea2 s ALA 63 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3ea2 s ALA 63 CO 0.00 -0.73 0.11 0.54 0.00 0.00 0.00 175.76 175.68 3ea2 n ARG 64 N 2.18 1.86 -5.03 0.00 5.12 -0.66 -4.29 116.66 115.84 3ea2 n ARG 64 Ca 0.06 -0.11 -0.32 0.00 -1.93 0.00 0.00 57.85 55.54 3ea2 n ARG 64 Cb 0.40 -0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 31.07 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 -0.30 2.48 -0.06 0.55 1.01 -1.15 0.35 121.20 124.08 3ea2 s ILE 65 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3ea2 s ILE 65 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.48 3ea2 s ILE 65 CO 0.00 0.54 -0.17 -0.36 0.00 0.00 0.00 174.94 174.96 3ea2 s PHE 66 N 0.35 1.75 -0.80 3.97 0.40 0.04 -1.13 117.98 122.56 3ea2 s PHE 66 Ca -0.16 -0.58 -0.18 0.00 -0.60 0.00 0.00 56.93 55.42 3ea2 s PHE 66 Cb -0.17 -1.21 0.15 0.00 0.51 0.00 0.00 43.02 42.30 3ea2 s PHE 66 CO 0.08 -0.23 0.90 0.34 0.70 0.00 0.00 175.22 177.00 3ea2 s ASP 67 N 0.27 6.53 -0.25 1.36 2.15 -0.99 -0.91 116.67 124.83 3ea2 s ASP 67 Ca -0.09 -2.03 -0.14 0.00 0.43 0.00 0.00 52.55 50.72 3ea2 s ASP 67 Cb -0.14 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 3ea2 s ASP 67 CO 0.04 -0.95 0.33 -0.63 -0.17 0.00 0.00 175.17 173.79 3ea2 s ILE 68 N 2.01 5.22 -0.24 4.11 -1.09 -0.19 -2.48 121.20 128.54 3ea2 s ILE 68 Ca 0.22 0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 3ea2 s ILE 68 Cb -0.12 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3ea2 s ILE 68 CO -0.04 0.22 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.70 3ea2 s ARG 69 N 1.72 3.10 0.39 2.79 1.81 -1.26 -1.46 118.95 126.03 3ea2 s ARG 69 Ca 0.14 -0.81 0.05 0.00 -1.72 0.00 0.00 55.73 53.39 3ea2 s ARG 69 Cb -0.15 -3.00 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 3ea2 s ARG 69 CO 0.09 -0.30 0.04 0.20 -0.68 0.00 0.00 175.30 174.64 3ea2 s GLY 70 N 1.40 2.42 -0.01 -3.53 0.00 -0.14 -1.10 107.32 106.36 3ea2 s GLY 70 Ca 0.03 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.89 3ea2 s GLY 70 CO -0.04 -1.98 -0.02 -1.60 0.00 0.00 0.00 173.10 169.46 3ea2 s ARG 71 N -3.80 0.23 0.06 2.90 3.52 0.13 0.06 118.95 122.05 3ea2 s ARG 71 Ca 0.31 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 3ea2 s ARG 71 Cb 0.08 -0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.14 3ea2 s ARG 71 CO 0.15 -0.01 0.96 -1.17 -0.81 0.00 0.00 175.30 174.42 3ea2 s LEU 72 N 0.29 4.45 0.53 -0.88 2.96 -1.26 -1.09 118.68 123.67 3ea2 s LEU 72 Ca -0.03 1.73 0.08 0.00 -0.22 0.00 0.00 54.13 55.69 3ea2 s LEU 72 Cb -0.05 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.12 3ea2 s LEU 72 CO -0.01 -0.14 0.58 0.42 -1.32 0.00 0.00 176.35 175.88 3ea2 s THR 73 N 0.39 2.08 -0.84 3.68 -4.23 -0.15 -1.09 115.64 115.48 3ea2 s THR 73 Ca 0.49 -1.23 0.23 0.00 -1.18 0.00 0.00 61.69 59.99 3ea2 s THR 73 Cb -0.22 -2.31 0.22 0.00 1.34 0.00 0.00 72.50 71.52 3ea2 s THR 73 CO 0.29 0.00 1.72 -0.90 -0.54 0.00 0.00 174.62 175.19 3ea2 n ASP 74 N -1.95 0.30 -0.60 3.99 5.75 -1.26 -2.52 116.55 120.26 3ea2 n ASP 74 Ca 0.07 0.55 0.10 0.00 -0.01 0.00 0.00 54.79 55.50 3ea2 n ASP 74 Cb 0.62 -0.62 0.34 0.00 -1.03 0.00 0.00 41.12 40.43 3ea2 n ASP 74 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ea2 n ASP 75 N -1.80 1.78 -2.76 -1.12 10.43 -1.26 -4.54 116.55 117.27 3ea2 n ASP 75 Ca 0.05 -1.76 -0.19 0.00 2.57 0.00 0.00 54.79 55.45 3ea2 n ASP 75 Cb 0.29 -0.13 0.05 0.00 1.84 0.00 0.00 41.12 43.16 3ea2 n ASP 75 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ea2 n ASN 76 N 0.41 -5.44 -4.43 -2.24 3.02 -1.05 -5.01 115.26 100.51 3ea2 n ASN 76 Ca 0.16 -0.34 -0.21 0.00 -0.03 0.00 0.00 54.58 54.16 3ea2 n ASN 76 Cb 0.34 -4.16 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 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 -3.16 1.26 -0.13 3.41 -4.23 -1.26 -4.97 115.64 106.56 3ea2 s THR 77 Ca 0.37 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3ea2 s THR 77 Cb -0.16 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.03 3ea2 s THR 77 CO 0.45 -0.11 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.57 3ea2 s ILE 78 N -3.25 2.12 0.16 2.99 1.01 -1.26 -0.98 121.20 121.99 3ea2 s ILE 78 Ca 0.34 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.11 3ea2 s ILE 78 Cb 0.07 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3ea2 s ILE 78 CO 0.14 0.55 -0.14 0.68 0.00 0.00 0.00 174.94 176.16 3ea2 s VAL 79 N 0.70 2.97 0.24 2.92 -7.23 -0.25 -1.96 120.40 117.79 3ea2 s VAL 79 Ca -0.10 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 3ea2 s VAL 79 Cb -0.16 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3ea2 s VAL 79 CO 0.01 -0.04 0.92 -0.76 -0.31 0.00 0.00 175.10 174.91 3ea2 s LEU 80 N -2.59 4.60 0.14 1.32 1.43 -0.41 0.20 118.68 123.38 3ea2 s LEU 80 Ca 0.22 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3ea2 s LEU 80 Cb -0.09 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3ea2 s LEU 80 CO 0.13 0.13 0.07 -1.00 0.23 0.00 0.00 176.35 175.91 3ea2 s HIS 81 N -1.24 0.92 -0.34 0.29 3.76 -0.26 -1.48 115.29 116.93 3ea2 s HIS 81 Ca 0.42 -1.25 -0.01 0.00 -0.15 0.00 0.00 55.06 54.07 3ea2 s HIS 81 Cb -0.25 -0.50 0.12 0.00 1.11 0.00 0.00 32.58 33.06 3ea2 s HIS 81 CO 0.30 -0.53 0.16 -1.58 -0.85 0.00 0.00 174.74 172.24 3ea2 s HIS 82 N -4.05 1.24 0.00 1.40 2.46 -0.45 -4.68 115.29 111.21 3ea2 s HIS 82 Ca 0.26 -1.67 0.00 0.00 0.47 0.00 0.00 55.06 54.12 3ea2 s HIS 82 Cb 0.07 -1.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 3ea2 s HIS 82 CO 0.03 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.88 3ea2 n GLY 83 N 4.48 2.45 0.00 1.59 0.00 -1.26 -2.06 105.19 110.40 3ea2 n GLY 83 Ca 0.03 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 13.45 0.17 -3.03 1.61 -0.04 -1.26 -4.61 135.00 141.28 3ea2 n PRO 84 Ca 0.00 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 3ea2 n PRO 84 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.81 4.16 0.14 1.53 2.01 -0.87 -5.04 118.68 117.80 3ea2 s LEU 85 Ca 0.18 0.97 -0.30 0.00 0.01 0.00 0.00 54.13 54.98 3ea2 s LEU 85 Cb 0.17 -3.03 -0.07 0.00 0.01 0.00 0.00 46.19 43.27 3ea2 s LEU 85 CO 0.43 -0.32 1.21 -0.47 1.01 0.00 0.00 176.35 178.21 3ea2 s TYR 86 N 1.98 3.43 -2.18 0.29 5.04 -1.26 -1.34 117.35 123.30 3ea2 s TYR 86 Ca 0.33 1.36 0.18 0.00 -2.44 0.00 0.00 57.07 56.50 3ea2 s TYR 86 Cb -0.16 -3.44 0.54 0.00 0.35 0.00 0.00 41.96 39.25 3ea2 s TYR 86 CO 0.11 -1.28 1.43 1.28 -1.34 0.00 0.00 175.55 175.75 3ea2 n LEU 87 N 3.01 2.24 -2.20 6.97 4.77 -0.55 -4.91 117.00 126.33 3ea2 n LEU 87 Ca 0.06 -1.03 -0.20 0.00 -0.03 0.00 0.00 56.01 54.81 3ea2 n LEU 87 Cb 0.45 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3ea2 n LEU 87 CO 0.56 0.51 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.66 3ea2 n TYR 88 N 0.70 -0.83 -4.06 -1.77 4.02 -1.26 -4.62 117.16 109.35 3ea2 n TYR 88 Ca 0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.91 3ea2 n TYR 88 Cb 0.39 -3.81 -0.13 0.00 -0.02 0.00 0.00 39.34 35.77 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 -2.97 0.33 0.36 -0.72 1.01 -1.26 -5.03 120.40 112.11 3ea2 s VAL 89 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3ea2 s VAL 89 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3ea2 s VAL 89 CO 0.00 -0.10 0.09 0.42 0.00 0.00 0.00 175.10 175.51 3ea2 s THR 90 N -0.57 2.69 0.12 3.92 -4.23 -1.26 -1.28 115.64 115.02 3ea2 s THR 90 Ca -0.03 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 3ea2 s THR 90 Cb -0.05 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 3ea2 s THR 90 CO -0.00 -0.15 1.52 0.25 -0.54 0.00 0.00 174.62 175.70 3ea2 h LEU 91 N 1.64 0.76 -1.51 4.79 5.85 -1.72 -2.38 115.31 122.73 3ea2 h LEU 91 Ca -0.43 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 57.96 3ea2 h LEU 91 Cb 1.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3ea2 h LEU 91 CO 0.66 0.95 0.37 0.45 -0.34 0.00 0.00 178.44 180.54 3ea2 h HIS 92 N 0.55 0.62 -0.57 1.25 3.86 -1.97 -1.23 115.15 117.67 3ea2 h HIS 92 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3ea2 h HIS 92 Cb 0.62 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 3ea2 h HIS 92 CO 0.05 0.36 0.30 1.49 0.86 0.00 0.00 177.93 180.99 3ea2 h GLU 93 N 0.64 0.80 -0.11 2.45 4.81 -1.83 0.12 114.58 121.45 3ea2 h GLU 93 Ca 0.23 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3ea2 h GLU 93 Cb 0.12 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ea2 h GLU 93 CO -0.06 0.63 -0.01 0.35 -0.73 0.00 0.00 179.01 179.18 3ea2 h PHE 94 N 0.77 0.23 -0.98 0.92 3.57 -1.02 -2.40 116.94 118.02 3ea2 h PHE 94 Ca 0.20 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3ea2 h PHE 94 Cb 0.07 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 3ea2 h PHE 94 CO -0.01 0.48 0.64 0.82 -2.23 0.00 0.00 178.31 178.01 3ea2 h ILE 95 N -0.09 1.25 -0.71 1.41 2.04 -1.07 0.45 117.51 120.79 3ea2 h ILE 95 Ca 0.03 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 3ea2 h ILE 95 Cb 0.40 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 3ea2 h ILE 95 CO 0.01 0.25 0.18 0.78 0.00 0.00 0.00 178.15 179.37 3ea2 h ASN 96 N 1.33 1.07 -0.66 1.72 2.35 -0.96 0.28 115.58 120.71 3ea2 h ASN 96 Ca 0.36 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3ea2 h ASN 96 Cb -0.14 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 37.92 3ea2 h ASN 96 CO -0.08 1.02 0.11 -0.33 -1.65 0.00 0.00 177.43 176.50 3ea2 h GLU 97 N 1.07 1.10 -0.55 0.81 4.39 -0.87 -1.28 114.58 119.26 3ea2 h GLU 97 Ca 0.22 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3ea2 h GLU 97 Cb 0.36 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3ea2 h GLU 97 CO 0.00 1.01 0.03 0.00 -1.16 0.00 0.00 179.01 178.89 3ea2 h ALA 98 N 1.07 0.74 -0.32 3.43 0.00 -0.47 -1.13 119.26 122.59 3ea2 h ALA 98 Ca 0.20 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ea2 h ALA 98 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ea2 h ALA 98 CO 0.01 0.53 0.19 0.87 0.00 0.00 0.00 179.25 180.86 3ea2 h LYS 99 N 0.83 0.37 -0.23 0.00 1.57 -0.18 0.66 116.57 119.59 3ea2 h LYS 99 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3ea2 h LYS 99 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ea2 h LYS 99 CO 0.02 0.25 0.13 1.96 -0.57 0.00 0.00 179.45 181.23 3ea2 h GLN 100 N 0.39 0.33 -0.81 3.15 1.08 -1.03 -0.34 115.11 117.86 3ea2 h GLN 100 Ca 0.13 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 3ea2 h GLN 100 Cb -0.00 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 3ea2 h GLN 100 CO -0.06 0.30 0.52 0.35 -0.95 0.00 0.00 178.83 179.00 3ea2 h PHE 101 N 0.26 0.98 -0.01 2.96 3.57 -0.91 -0.39 116.94 123.41 3ea2 h PHE 101 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3ea2 h PHE 101 Cb 0.07 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3ea2 h PHE 101 CO -0.03 0.57 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.03 3ea2 h LEU 102 N 1.02 0.03 -0.22 0.59 3.38 -0.62 0.15 115.31 119.65 3ea2 h LEU 102 Ca 0.32 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 3ea2 h LEU 102 Cb -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ea2 h LEU 102 CO -0.11 0.54 -0.49 0.50 0.09 0.00 0.00 178.44 178.97 3ea2 h LYS 103 N 0.03 0.72 -0.05 1.13 3.64 -0.42 -1.97 116.57 119.64 3ea2 h LYS 103 Ca -0.00 -0.48 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 3ea2 h LYS 103 Cb 0.92 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3ea2 h LYS 103 CO 0.07 1.10 -0.63 -0.44 -2.27 0.00 0.00 179.45 177.28 3ea2 h ASP 104 N 0.43 0.22 -2.50 4.20 3.32 -0.93 -3.37 116.42 117.80 3ea2 h ASP 104 Ca 0.00 -0.13 -0.60 0.00 0.02 0.00 0.00 57.03 56.32 3ea2 h ASP 104 Cb 1.10 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.19 3ea2 h ASP 104 CO 0.11 0.79 -0.83 0.59 -1.72 0.00 0.00 179.24 178.18 3ea2 n ASN 105 N -3.85 1.19 0.08 6.45 3.02 0.50 -4.97 115.26 117.69 3ea2 n ASN 105 Ca -0.02 -2.81 0.07 0.00 -0.03 0.00 0.00 54.58 51.79 3ea2 n ASN 105 Cb 0.63 -0.64 0.34 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.09 0.08 0.23 3.52 -0.04 -0.74 -2.17 135.00 137.97 3ea2 n PRO 106 Ca 0.26 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 3ea2 n PRO 106 Cb 0.44 -1.72 0.26 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.02 3.54 4.64 -1.93 -3.00 113.55 113.77 3ea2 h SER 107 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3ea2 h SER 107 Cb 0.11 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3ea2 h SER 107 CO 0.00 0.00 0.10 -1.61 -0.87 0.00 0.00 176.83 174.46 3ea2 s GLU 108 N -3.29 2.24 0.04 4.77 0.41 -0.92 -4.44 118.70 117.51 3ea2 s GLU 108 Ca 0.06 -0.60 -0.00 0.00 -0.41 0.00 0.00 54.97 54.02 3ea2 s GLU 108 Cb 0.06 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 3ea2 s GLU 108 CO 0.65 -1.07 -0.03 -0.08 -0.49 0.00 0.00 175.26 174.23 3ea2 s THR 109 N -3.04 0.21 -0.14 3.63 -1.32 -1.26 0.35 115.64 114.07 3ea2 s THR 109 Ca 0.60 -1.35 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 3ea2 s THR 109 Cb -0.10 -0.88 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 3ea2 s THR 109 CO 0.42 -0.72 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.28 3ea2 s ILE 110 N -2.60 1.90 -0.31 5.08 -1.09 -0.92 -4.85 121.20 118.41 3ea2 s ILE 110 Ca -0.05 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.37 3ea2 s ILE 110 Cb -0.02 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 3ea2 s ILE 110 CO -0.05 0.52 0.26 -0.63 -1.23 0.00 0.00 174.94 173.81 3ea2 s ILE 111 N 0.95 5.26 -0.33 2.92 1.01 0.15 0.67 121.20 131.83 3ea2 s ILE 111 Ca -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 3ea2 s ILE 111 Cb -0.15 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.69 3ea2 s ILE 111 CO -0.04 0.07 0.08 -0.32 0.00 0.00 0.00 174.94 174.73 3ea2 s MET 112 N 1.83 2.55 -0.01 2.79 1.75 0.50 -0.78 119.30 127.93 3ea2 s MET 112 Ca 0.08 -1.23 -0.28 0.00 -1.25 0.00 0.00 55.69 53.02 3ea2 s MET 112 Cb -0.17 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 3ea2 s MET 112 CO 0.11 -0.67 0.89 0.45 -0.65 0.00 0.00 175.02 175.15 3ea2 s SER 113 N 1.38 7.27 -0.11 1.11 0.15 -0.08 -1.16 113.70 122.25 3ea2 s SER 113 Ca -0.02 1.53 0.02 0.00 0.70 0.00 0.00 55.95 58.17 3ea2 s SER 113 Cb -0.20 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 3ea2 s SER 113 CO 0.01 -0.19 -0.17 -0.22 1.20 0.00 0.00 173.24 173.88 3ea2 s LEU 114 N 0.80 1.82 0.01 3.45 0.20 -0.75 -1.02 118.68 123.20 3ea2 s LEU 114 Ca 0.47 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.86 3ea2 s LEU 114 Cb -0.20 -1.17 -0.01 0.00 -0.43 0.00 0.00 46.19 44.38 3ea2 s LEU 114 CO 0.25 0.04 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.49 3ea2 s LYS 115 N 0.90 0.80 -0.36 1.98 2.20 -0.53 -1.18 119.74 123.54 3ea2 s LYS 115 Ca -0.08 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 3ea2 s LYS 115 Cb -0.15 -0.76 0.02 0.00 -1.51 0.00 0.00 37.83 35.42 3ea2 s LYS 115 CO -0.01 0.20 1.13 0.21 -0.36 0.00 0.00 175.35 176.52 3ea2 s LYS 116 N -0.68 3.94 0.12 4.03 2.20 -1.26 -0.96 119.74 127.12 3ea2 s LYS 116 Ca 0.01 0.95 0.19 0.00 -0.36 0.00 0.00 55.97 56.76 3ea2 s LYS 116 Cb -0.06 -3.81 -0.08 0.00 -1.51 0.00 0.00 37.83 32.37 3ea2 s LYS 116 CO 0.00 -1.09 0.92 1.49 -0.36 0.00 0.00 175.35 176.32 3ea2 h GLU 117 N 8.64 0.00 -2.71 4.03 4.57 -0.68 -3.46 114.58 124.96 3ea2 h GLU 117 Ca -0.22 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 3ea2 h GLU 117 Cb 1.07 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.49 3ea2 h GLU 117 CO 1.06 0.18 0.01 -0.47 -1.18 0.00 0.00 179.01 178.61 3ea2 s TYR 118 N -3.10 -0.41 0.26 0.92 5.04 -1.24 -4.38 117.35 114.44 3ea2 s TYR 118 Ca -0.02 0.52 -0.28 0.00 -2.44 0.00 0.00 57.07 54.85 3ea2 s TYR 118 Cb 0.09 0.31 -0.15 0.00 0.35 0.00 0.00 41.96 42.56 3ea2 s TYR 118 CO 0.80 -0.60 0.87 -1.91 -1.34 0.00 0.00 175.55 173.37 3ea2 n GLU 119 N 0.59 0.94 -1.76 4.97 2.13 -1.26 -4.57 120.64 121.68 3ea2 n GLU 119 Ca -0.19 0.33 -0.37 0.00 0.66 0.00 0.00 57.16 57.59 3ea2 n GLU 119 Cb 0.59 -1.60 0.06 0.00 0.27 0.00 0.00 31.44 30.77 3ea2 n GLU 119 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ea2 s ASP 120 N -0.66 4.80 0.61 4.31 1.01 -1.26 -4.73 116.67 120.74 3ea2 s ASP 120 Ca 0.61 2.66 -0.15 0.00 0.71 0.00 0.00 52.55 56.38 3ea2 s ASP 120 Cb -0.78 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 40.50 3ea2 s ASP 120 CO 0.58 -1.88 1.05 -0.04 0.21 0.00 0.00 175.17 175.10 3ea2 s MET 121 N -3.25 3.29 0.34 8.23 -1.94 -0.25 -5.00 119.30 120.72 3ea2 s MET 121 Ca 0.80 1.16 -0.26 0.00 -1.71 0.00 0.00 55.69 55.67 3ea2 s MET 121 Cb -0.38 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.33 3ea2 s MET 121 CO 0.42 -0.83 1.04 0.15 -0.01 0.00 0.00 175.02 175.78 3ea2 s LYS 122 N -4.22 4.42 0.00 2.03 -0.14 -1.26 -3.83 119.74 116.74 3ea2 s LYS 122 Ca 0.63 1.57 0.00 0.00 -1.36 0.00 0.00 55.97 56.81 3ea2 s LYS 122 Cb -0.15 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 3ea2 s LYS 122 CO 0.39 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.47 3ea2 n GLY 123 N 0.72 0.54 3.76 -3.33 0.00 -1.26 -4.52 105.19 101.11 3ea2 n GLY 123 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 3.39 -0.44 4.61 0.00 -1.25 -4.81 121.76 121.26 3ea2 s ALA 124 Ca 0.00 1.02 0.26 0.00 0.00 0.00 0.00 51.96 53.24 3ea2 s ALA 124 Cb 0.00 -3.38 0.86 0.00 0.00 0.00 0.00 23.12 20.60 3ea2 s ALA 124 CO 0.00 -0.37 1.76 0.93 0.00 0.00 0.00 175.76 178.09 3ea2 h GLU 125 N 3.47 0.00 0.00 0.00 5.08 -1.88 -3.47 114.58 117.78 3ea2 h GLU 125 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3ea2 h GLU 125 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3ea2 h GLU 125 CO 0.66 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.08 3ea2 n GLY 126 N 0.67 4.77 3.99 -3.84 0.00 -1.26 -5.13 105.19 104.39 3ea2 n GLY 126 Ca 0.03 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 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 1.22 5.30 0.14 1.61 1.04 -1.26 -4.92 113.70 116.83 3ea2 s SER 127 Ca 0.00 -0.68 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 3ea2 s SER 127 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3ea2 s SER 127 CO 0.00 -0.96 1.77 0.15 0.98 0.00 0.00 173.24 175.18 3ea2 h PHE 128 N 0.56 0.28 -0.26 5.02 3.04 -1.99 0.24 116.94 123.83 3ea2 h PHE 128 Ca -0.37 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.51 3ea2 h PHE 128 Cb 1.28 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 3ea2 h PHE 128 CO 0.48 0.15 -0.15 0.66 -2.02 0.00 0.00 178.31 177.43 3ea2 h SER 129 N 0.31 0.59 0.58 0.41 4.64 -1.92 -1.61 113.55 116.55 3ea2 h SER 129 Ca 0.13 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 3ea2 h SER 129 Cb 0.04 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3ea2 h SER 129 CO -0.09 0.88 -0.37 0.77 -0.87 0.00 0.00 176.83 177.16 3ea2 h SER 130 N 0.30 0.00 0.39 4.97 4.64 -1.84 -1.48 113.55 120.53 3ea2 h SER 130 Ca 0.06 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.06 3ea2 h SER 130 Cb 0.67 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3ea2 h SER 130 CO 0.04 0.37 -1.44 0.74 -0.87 0.00 0.00 176.83 175.68 3ea2 h THR 131 N 0.00 1.31 -0.40 2.95 2.02 -0.90 -2.47 112.91 115.42 3ea2 h THR 131 Ca -0.00 -2.81 -0.04 0.00 0.77 0.00 0.00 66.41 64.33 3ea2 h THR 131 Cb 0.76 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 70.12 3ea2 h THR 131 CO 0.05 0.84 0.11 0.15 0.37 0.00 0.00 175.52 177.04 3ea2 h PHE 132 N 0.12 0.66 -0.39 3.16 3.57 -1.16 -1.00 116.94 121.89 3ea2 h PHE 132 Ca -0.23 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.15 3ea2 h PHE 132 Cb 2.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.63 3ea2 h PHE 132 CO 0.10 0.62 0.05 0.93 -2.23 0.00 0.00 178.31 177.78 3ea2 h GLU 133 N 0.50 0.65 -0.08 1.11 5.08 -1.35 -0.01 114.58 120.48 3ea2 h GLU 133 Ca 0.13 -0.18 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 3ea2 h GLU 133 Cb 0.29 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ea2 h GLU 133 CO -0.00 0.72 -0.82 -0.22 -1.00 0.00 0.00 179.01 177.68 3ea2 h LYS 134 N 0.49 0.69 -0.02 2.33 3.64 -1.42 -2.76 116.57 119.52 3ea2 h LYS 134 Ca 0.12 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3ea2 h LYS 134 Cb 0.39 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3ea2 h LYS 134 CO 0.01 1.24 -0.26 0.09 -2.27 0.00 0.00 179.45 178.26 3ea2 n ASN 135 N -3.98 2.46 0.11 4.20 3.02 -0.39 -4.65 115.26 116.03 3ea2 n ASN 135 Ca -0.09 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3ea2 n ASN 135 Cb 0.77 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 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 0.59 -1.79 0.10 3.10 4.02 -0.30 -4.91 117.16 117.97 3ea2 n TYR 136 Ca 0.11 0.32 0.13 0.00 -0.01 0.00 0.00 57.90 58.45 3ea2 n TYR 136 Cb 0.52 0.43 0.63 0.00 -0.02 0.00 0.00 39.34 40.90 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 0.09 -0.26 -0.72 3.57 -1.09 -1.99 116.94 116.54 3ea2 h PHE 137 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3ea2 h PHE 137 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ea2 h PHE 137 CO 0.00 0.05 0.23 -0.39 -2.23 0.00 0.00 178.31 175.97 3ea2 h VAL 138 N 0.09 0.63 -2.07 1.41 -1.51 -1.75 -3.43 116.25 109.62 3ea2 h VAL 138 Ca 0.15 0.00 -0.62 0.00 -1.23 0.00 0.00 66.70 65.00 3ea2 h VAL 138 Cb 0.47 0.83 0.06 0.00 -2.13 0.00 0.00 31.29 30.52 3ea2 h VAL 138 CO -0.01 0.00 0.69 -0.67 -1.23 0.00 0.00 177.57 176.35 3ea2 n ASP 139 N -4.10 2.62 0.30 4.19 -0.08 -0.75 -4.82 116.55 113.92 3ea2 n ASP 139 Ca 0.03 1.09 0.16 0.00 -1.51 0.00 0.00 54.79 54.56 3ea2 n ASP 139 Cb 0.38 -1.35 0.84 0.00 2.34 0.00 0.00 41.12 43.34 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 5.55 0.00 0.00 -0.67 0.11 -1.90 -2.06 132.00 133.03 3ea2 h PRO 140 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ea2 h PRO 140 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ea2 h PRO 140 CO 0.85 0.00 -0.07 0.97 -0.21 0.00 0.00 178.00 179.54 3ea2 h ILE 141 N 0.00 0.77 -3.34 4.15 6.09 -1.90 -3.42 117.51 119.87 3ea2 h ILE 141 Ca 0.00 -0.28 -0.58 0.00 -1.37 0.00 0.00 64.86 62.63 3ea2 h ILE 141 Cb 0.45 1.17 -0.07 0.00 0.47 0.00 0.00 36.82 38.84 3ea2 h ILE 141 CO 0.00 0.07 0.29 -0.36 -3.07 0.00 0.00 178.15 175.08 3ea2 s PHE 142 N -4.61 3.45 0.29 2.19 0.08 -0.78 -0.65 117.98 117.96 3ea2 s PHE 142 Ca -0.04 1.22 -0.30 0.00 0.12 0.00 0.00 56.93 57.93 3ea2 s PHE 142 Cb 0.15 -2.94 -0.11 0.00 -0.57 0.00 0.00 43.02 39.55 3ea2 s PHE 142 CO 0.62 -0.16 1.56 -1.17 -0.10 0.00 0.00 175.22 175.97 3ea2 s LEU 143 N 1.80 4.35 0.00 -0.37 2.96 -0.63 -4.92 118.68 121.87 3ea2 s LEU 143 Ca 0.37 2.91 0.15 0.00 -0.22 0.00 0.00 54.13 57.34 3ea2 s LEU 143 Cb -0.17 -3.63 0.24 0.00 0.50 0.00 0.00 46.19 43.13 3ea2 s LEU 143 CO 0.14 -0.88 1.13 0.29 -1.32 0.00 0.00 176.35 175.71 3ea2 n LYS 144 N 2.10 1.79 -3.61 1.98 4.76 -1.26 -3.87 118.16 120.06 3ea2 n LYS 144 Ca 0.07 -1.74 -0.20 0.00 -2.87 0.00 0.00 58.31 53.57 3ea2 n LYS 144 Cb 0.38 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.16 3.38 0.00 -0.18 -4.23 -1.26 -3.07 115.64 109.12 3ea2 s THR 145 Ca 0.23 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3ea2 s THR 145 Cb 0.14 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3ea2 s THR 145 CO 0.20 -0.11 0.00 -0.62 -0.54 0.00 0.00 174.62 173.55 3ea2 n GLU 146 N -1.51 0.46 0.00 3.99 1.02 -1.26 -1.37 120.64 121.97 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 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 3.25 -0.51 3.11 0.62 0.00 -1.26 -3.86 105.19 106.53 3ea2 n GLY 147 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.97 4.99 -3.84 1.61 4.05 -1.26 -4.84 115.26 115.00 3ea2 n ASN 148 Ca 0.00 -3.02 -0.53 0.00 0.45 0.00 0.00 54.58 51.47 3ea2 n ASN 148 Cb 0.00 -1.55 -0.08 0.00 1.23 0.00 0.00 39.78 39.38 3ea2 n ASN 148 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 3ea2 n ILE 149 N 4.18 0.00 -3.63 -1.44 5.41 -1.25 -4.75 119.36 117.88 3ea2 n ILE 149 Ca 0.41 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.86 3ea2 n ILE 149 Cb 0.39 -0.26 -0.04 0.00 -0.71 0.00 0.00 39.64 39.02 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 1.58 3.58 0.21 0.38 1.02 -1.26 -0.82 119.74 124.43 3ea2 s LYS 150 Ca 0.82 -0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 3ea2 s LYS 150 Cb -1.17 -2.81 0.25 0.00 -0.52 0.00 0.00 37.83 33.58 3ea2 s LYS 150 CO 0.60 0.40 1.82 1.25 -0.92 0.00 0.00 175.35 178.50 3ea2 h LEU 151 N 2.32 0.61 -0.83 3.17 5.85 -1.16 -2.68 115.31 122.59 3ea2 h LEU 151 Ca -0.47 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.39 3ea2 h LEU 151 Cb 1.18 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3ea2 h LEU 151 CO 0.70 0.40 0.45 1.23 -0.34 0.00 0.00 178.44 180.88 3ea2 h GLY 152 N 0.75 1.31 2.00 3.75 0.00 -1.30 -0.66 103.07 108.92 3ea2 h GLY 152 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3ea2 h GLY 152 CO -0.17 0.06 0.00 -0.55 0.00 0.00 0.00 176.54 175.87 3ea2 h ASP 153 N 0.71 0.00 0.65 0.19 3.32 -1.73 -3.26 116.42 116.29 3ea2 h ASP 153 Ca 0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 3ea2 h ASP 153 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3ea2 h ASP 153 CO -0.30 0.00 -1.38 0.00 -1.72 0.00 0.00 179.24 175.84 3ea2 n ALA 154 N -1.99 2.48 -1.60 3.45 0.00 -0.37 -4.89 120.51 117.59 3ea2 n ALA 154 Ca 0.03 -0.39 -0.47 0.00 0.00 0.00 0.00 53.44 52.61 3ea2 n ALA 154 Cb 0.41 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.60 1.34 -0.93 0.00 1.74 -0.52 -0.97 116.66 114.73 3ea2 n ARG 155 Ca -0.04 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3ea2 n ARG 155 Cb 0.62 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.93 0.44 3.37 -0.13 0.00 0.15 -4.96 105.19 106.00 3ea2 n GLY 156 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.59 1.44 -0.20 1.61 1.02 -0.14 -4.95 119.74 117.93 3ea2 s LYS 157 Ca 0.00 -1.74 -0.11 0.00 0.02 0.00 0.00 55.97 54.14 3ea2 s LYS 157 Cb 0.00 -0.80 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 3ea2 s LYS 157 CO 0.00 -0.07 0.19 0.42 -0.92 0.00 0.00 175.35 174.96 3ea2 s ILE 158 N -3.29 5.37 -0.29 2.17 1.01 0.17 -2.16 121.20 124.18 3ea2 s ILE 158 Ca 0.30 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.16 3ea2 s ILE 158 Cb 0.06 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 3ea2 s ILE 158 CO 0.11 0.41 0.13 -0.69 0.00 0.00 0.00 174.94 174.90 3ea2 s VAL 159 N 0.52 4.65 0.21 2.92 1.01 0.21 -1.61 120.40 128.31 3ea2 s VAL 159 Ca 0.10 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3ea2 s VAL 159 Cb -0.12 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 3ea2 s VAL 159 CO 0.01 0.18 1.01 -0.22 0.00 0.00 0.00 175.10 176.08 3ea2 s LEU 160 N 1.64 4.56 -0.36 3.92 2.96 -1.26 -0.37 118.68 129.77 3ea2 s LEU 160 Ca 0.06 2.01 0.02 0.00 -0.22 0.00 0.00 54.13 56.00 3ea2 s LEU 160 Cb -0.16 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.03 3ea2 s LEU 160 CO 0.06 -0.04 0.10 -0.22 -1.32 0.00 0.00 176.35 174.94 3ea2 s LEU 161 N -0.79 3.82 0.10 -0.68 2.96 -0.31 0.35 118.68 124.14 3ea2 s LEU 161 Ca 0.45 -2.15 -0.30 0.00 -0.22 0.00 0.00 54.13 51.91 3ea2 s LEU 161 Cb -0.27 -1.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 3ea2 s LEU 161 CO 0.34 -0.36 1.21 -0.54 -1.32 0.00 0.00 176.35 175.68 3ea2 s LYS 162 N 0.92 4.44 -0.11 1.98 1.02 -0.82 -1.81 119.74 125.37 3ea2 s LYS 162 Ca 0.12 1.82 0.15 0.00 0.02 0.00 0.00 55.97 58.08 3ea2 s LYS 162 Cb -0.20 -3.31 0.34 0.00 -0.52 0.00 0.00 37.83 34.14 3ea2 s LYS 162 CO -0.11 -0.22 1.16 0.54 -0.92 0.00 0.00 175.35 175.80 3ea2 n ARG 163 N 3.57 0.89 -4.20 1.68 1.74 -0.32 -3.94 116.66 116.09 3ea2 n ARG 163 Ca 0.08 -2.50 -0.13 0.00 -0.77 0.00 0.00 57.85 54.52 3ea2 n ARG 163 Cb 0.46 -1.02 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 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 -1.87 1.08 0.33 -1.55 -0.85 -1.25 -4.42 117.35 108.82 3ea2 s TYR 164 Ca 0.31 -0.75 0.07 0.00 -0.52 0.00 0.00 57.07 56.17 3ea2 s TYR 164 Cb 0.31 -0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 3ea2 s TYR 164 CO -0.07 -0.01 0.45 -1.54 -1.52 0.00 0.00 175.55 172.86 3ea2 s SER 165 N -2.81 5.91 0.00 -0.18 1.04 -1.26 -4.64 113.70 111.77 3ea2 s SER 165 Ca 0.10 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3ea2 s SER 165 Cb 0.01 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.90 3ea2 s SER 165 CO -0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3ea2 n GLY 166 N -1.61 0.69 3.61 7.32 0.00 -1.26 -4.65 105.19 109.29 3ea2 n GLY 166 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 1.67 -0.09 1.61 2.88 -1.26 -4.82 113.62 113.61 3ea2 n SER 167 Ca 0.00 1.18 0.01 0.00 -1.33 0.00 0.00 58.87 58.73 3ea2 n SER 167 Cb 0.00 -1.33 0.02 0.00 -0.75 0.00 0.00 64.21 62.15 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 1.22 0.96 -4.11 -3.46 2.85 -1.26 -5.05 115.26 106.41 3ea2 n ASN 168 Ca 0.09 -1.77 -0.21 0.00 -0.11 0.00 0.00 54.58 52.58 3ea2 n ASN 168 Cb 0.32 -0.09 -0.15 0.00 1.24 0.00 0.00 39.78 41.11 3ea2 n ASN 168 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ea2 s GLU 169 N -0.71 1.05 0.41 1.20 0.41 -1.26 -5.14 118.70 114.66 3ea2 s GLU 169 Ca 0.04 -0.55 -0.22 0.00 -0.41 0.00 0.00 54.97 53.84 3ea2 s GLU 169 Cb 0.04 -1.03 -0.11 0.00 -1.78 0.00 0.00 34.13 31.25 3ea2 s GLU 169 CO 0.00 0.28 0.95 -1.12 -0.49 0.00 0.00 175.26 174.88 3ea2 s SER 170 N -0.51 7.01 0.00 -0.19 0.01 -1.26 -5.01 113.70 113.75 3ea2 s SER 170 Ca 0.04 1.72 0.00 0.00 1.31 0.00 0.00 55.95 59.02 3ea2 s SER 170 Cb -0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3ea2 s SER 170 CO -0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 3ea2 n GLY 171 N -0.41 4.26 6.72 3.44 0.00 -1.17 -4.61 105.19 113.42 3ea2 n GLY 171 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.04 -0.33 3.54 -0.02 0.00 -0.47 -4.72 105.19 103.16 3ea2 n GLY 172 Ca 0.00 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 3.17 0.79 1.61 2.02 0.16 -4.52 117.35 120.57 3ea2 s TYR 173 Ca 0.00 -0.13 -0.14 0.00 -0.37 0.00 0.00 57.07 56.44 3ea2 s TYR 173 Cb 0.00 -2.21 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 3ea2 s TYR 173 CO 0.00 -0.14 1.20 -0.80 -1.57 0.00 0.00 175.55 174.24 3ea2 s ASN 174 N 1.22 3.80 0.46 2.29 0.01 -1.26 -1.94 114.94 119.52 3ea2 s ASN 174 Ca 0.05 2.33 -0.23 0.00 -0.71 0.00 0.00 52.86 54.30 3ea2 s ASN 174 Cb -0.14 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 3ea2 s ASN 174 CO 0.04 -2.53 1.15 0.21 -1.51 0.00 0.00 177.10 174.47 3ea2 s ASN 175 N -2.20 6.18 0.12 -1.22 2.47 -1.25 -4.61 114.94 114.42 3ea2 s ASN 175 Ca 0.73 2.28 -0.07 0.00 0.42 0.00 0.00 52.86 56.21 3ea2 s ASN 175 Cb -0.28 -2.60 -0.01 0.00 -1.45 0.00 0.00 41.25 36.91 3ea2 s ASN 175 CO 0.49 -0.91 0.18 0.72 -3.72 0.00 0.00 177.10 173.86 3ea2 s PHE 176 N -1.57 0.37 0.10 0.43 -0.12 -1.26 -5.03 117.98 110.90 3ea2 s PHE 176 Ca 0.64 -0.79 -0.31 0.00 -0.05 0.00 0.00 56.93 56.42 3ea2 s PHE 176 Cb -0.28 -0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 41.86 3ea2 s PHE 176 CO 0.34 -0.58 1.80 -0.47 -0.05 0.00 0.00 175.22 176.25 3ea2 s TYR 177 N -3.93 2.13 -0.54 3.49 5.04 -1.26 -4.95 117.35 117.33 3ea2 s TYR 177 Ca 0.12 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 3ea2 s TYR 177 Cb 0.05 -4.13 0.14 0.00 0.35 0.00 0.00 41.96 38.37 3ea2 s TYR 177 CO -0.05 -4.67 0.29 -0.46 -1.34 0.00 0.00 175.55 169.32 3ea2 s TRP 178 N 2.90 3.07 0.58 4.97 -0.11 -1.26 -5.00 118.94 124.10 3ea2 s TRP 178 Ca 0.80 -3.10 -0.19 0.00 1.22 0.00 0.00 56.10 54.83 3ea2 s TRP 178 Cb -0.44 -2.67 -0.06 0.00 -1.50 0.00 0.00 33.47 28.79 3ea2 s TRP 178 CO 0.36 -0.72 0.83 -0.35 -4.62 0.00 0.00 176.95 172.45 3ea2 n PRO 179 N 2.99 0.79 -2.57 5.86 -0.04 -1.26 -4.92 135.00 135.86 3ea2 n PRO 179 Ca 0.08 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 3ea2 n PRO 179 Cb 0.33 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.20 7.21 -1.19 3.54 2.15 -1.26 -4.25 116.67 121.67 3ea2 s ASP 180 Ca 0.73 1.81 -0.20 0.00 0.43 0.00 0.00 52.55 55.32 3ea2 s ASP 180 Cb -0.43 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.61 3ea2 s ASP 180 CO 0.50 -0.39 0.72 -3.20 -0.17 0.00 0.00 175.17 172.63 3ea2 n ASN 181 N 4.11 -4.39 -3.71 -0.34 5.15 -1.25 -4.98 115.26 109.84 3ea2 n ASN 181 Ca 0.08 -1.06 -0.11 0.00 -0.60 0.00 0.00 54.58 52.89 3ea2 n ASN 181 Cb 0.49 -3.09 -0.05 0.00 -0.53 0.00 0.00 39.78 36.60 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 -6.27 1.69 -0.21 1.20 2.02 -1.19 -4.71 118.70 111.23 3ea2 s GLU 182 Ca 0.41 -1.43 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 3ea2 s GLU 182 Cb -0.16 0.47 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 3ea2 s GLU 182 CO 0.88 -0.71 -0.02 0.99 0.02 0.00 0.00 175.26 176.43 3ea2 s THR 183 N -3.62 3.69 0.17 3.63 2.01 -1.26 -1.32 115.64 118.94 3ea2 s THR 183 Ca 0.25 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 3ea2 s THR 183 Cb -0.01 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 3ea2 s THR 183 CO 0.13 0.42 0.12 0.72 -0.69 0.00 0.00 174.62 175.31 3ea2 s PHE 184 N 1.28 0.93 -0.01 4.92 -0.12 0.57 -4.97 117.98 120.58 3ea2 s PHE 184 Ca 0.04 -1.24 0.03 0.00 -0.05 0.00 0.00 56.93 55.71 3ea2 s PHE 184 Cb -0.14 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 3ea2 s PHE 184 CO -0.00 -0.60 -0.10 0.99 -0.05 0.00 0.00 175.22 175.46 3ea2 s THR 185 N -4.09 0.80 0.00 -4.49 2.01 -1.26 -0.12 115.64 108.49 3ea2 s THR 185 Ca 0.30 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3ea2 s THR 185 Cb 0.07 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.91 3ea2 s THR 185 CO 0.06 0.22 0.00 1.07 -0.69 0.00 0.00 174.62 175.29 3ea2 n THR 186 N 2.83 0.00 -4.20 -0.82 5.66 0.60 -4.99 114.28 113.35 3ea2 n THR 186 Ca -0.14 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.74 3ea2 n THR 186 Cb 0.57 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 -2.42 0.90 0.00 1.09 -4.23 -1.26 -0.54 115.64 109.18 3ea2 s THR 187 Ca 0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3ea2 s THR 187 Cb 0.00 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.12 3ea2 s THR 187 CO 0.00 -0.80 0.00 0.52 -0.54 0.00 0.00 174.62 173.80 3ea2 n VAL 188 N -0.05 0.00 -0.10 2.29 0.31 -0.81 -4.89 118.33 115.08 3ea2 n VAL 188 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.16 3ea2 n VAL 188 Cb 0.60 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.52 3ea2 n VAL 188 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3ea2 n ASN 189 N 0.00 0.11 0.00 4.52 3.02 -1.26 -4.58 115.26 117.07 3ea2 n ASN 189 Ca 0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 3ea2 n ASN 189 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3ea2 n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ea2 n GLN 190 N 5.20 0.00 -0.01 3.52 10.64 -1.26 -4.04 117.38 131.43 3ea2 n GLN 190 Ca 0.06 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.24 3ea2 n GLN 190 Cb 0.05 -0.69 0.02 0.00 -0.86 0.00 0.00 30.24 28.76 3ea2 n GLN 190 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3ea2 n ASN 191 N 0.00 2.04 -4.22 2.61 0.23 -1.26 -4.99 115.26 109.67 3ea2 n ASN 191 Ca 0.00 -2.11 -0.34 0.00 -0.53 0.00 0.00 54.58 51.59 3ea2 n ASN 191 Cb 0.00 -0.05 -0.15 0.00 -2.08 0.00 0.00 39.78 37.51 3ea2 n ASN 191 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3ea2 s VAL 192 N -1.19 2.89 0.02 3.53 1.01 -1.26 -4.84 120.40 120.56 3ea2 s VAL 192 Ca 0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 3ea2 s VAL 192 Cb 0.03 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 3ea2 s VAL 192 CO 0.00 0.33 0.76 0.20 0.00 0.00 0.00 175.10 176.39 3ea2 s ASN 193 N 1.37 7.16 -0.03 3.32 -0.87 0.26 -1.92 114.94 124.23 3ea2 s ASN 193 Ca 0.03 1.39 0.06 0.00 -1.57 0.00 0.00 52.86 52.77 3ea2 s ASN 193 Cb -0.15 -2.46 -0.01 0.00 -0.02 0.00 0.00 41.25 38.61 3ea2 s ASN 193 CO -0.06 -0.03 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.54 3ea2 s VAL 194 N 0.19 1.74 -0.11 1.60 1.01 0.29 0.90 120.40 126.03 3ea2 s VAL 194 Ca 0.39 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ea2 s VAL 194 Cb -0.20 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3ea2 s VAL 194 CO 0.22 0.49 -0.13 -0.89 0.00 0.00 0.00 175.10 174.79 3ea2 s THR 195 N -0.34 1.35 -0.06 3.92 2.01 0.87 -0.29 115.64 123.09 3ea2 s THR 195 Ca 0.04 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.55 3ea2 s THR 195 Cb -0.10 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 3ea2 s THR 195 CO 0.01 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 3ea2 s VAL 196 N 1.19 1.70 -0.41 3.82 1.01 0.83 -1.42 120.40 127.13 3ea2 s VAL 196 Ca -0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3ea2 s VAL 196 Cb -0.14 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 34.89 3ea2 s VAL 196 CO -0.04 0.48 0.21 -1.58 0.00 0.00 0.00 175.10 174.17 3ea2 s GLN 197 N 0.04 2.21 -0.40 2.72 -0.44 -0.40 -0.31 119.66 123.08 3ea2 s GLN 197 Ca -0.06 -1.69 0.12 0.00 -2.50 0.00 0.00 55.36 51.23 3ea2 s GLN 197 Cb -0.13 -3.62 0.41 0.00 -1.64 0.00 0.00 33.01 28.03 3ea2 s GLN 197 CO 0.03 -1.02 0.94 -3.47 0.50 0.00 0.00 175.29 172.27 3ea2 n ASP 198 N 4.69 2.53 -4.49 6.67 2.03 -0.44 -1.79 116.55 125.76 3ea2 n ASP 198 Ca -0.06 -3.16 -0.43 0.00 0.52 0.00 0.00 54.79 51.66 3ea2 n ASP 198 Cb 0.42 -0.54 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 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 -3.12 3.89 0.02 -0.67 1.02 -1.25 -3.15 119.74 116.48 3ea2 s LYS 199 Ca 0.38 -2.10 0.27 0.00 0.02 0.00 0.00 55.97 54.54 3ea2 s LYS 199 Cb 0.39 -5.14 1.14 0.00 -0.52 0.00 0.00 37.83 33.70 3ea2 s LYS 199 CO -0.07 -1.91 1.86 2.48 -0.92 0.00 0.00 175.35 176.80 3ea2 n TYR 200 N 6.74 0.07 -2.66 3.18 4.11 -1.26 -4.20 117.16 123.14 3ea2 n TYR 200 Ca 0.35 0.02 -0.09 0.00 -0.00 0.00 0.00 57.90 58.18 3ea2 n TYR 200 Cb 0.46 -0.54 0.03 0.00 -0.00 0.00 0.00 39.34 39.29 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 -1.56 1.43 -3.91 -3.48 2.85 -1.26 -0.53 118.16 111.70 3ea2 n LYS 201 Ca 0.06 -3.39 -0.23 0.00 -1.05 0.00 0.00 58.31 53.70 3ea2 n LYS 201 Cb 0.33 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 33.27 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 -3.42 2.76 0.82 0.58 -7.23 -1.26 -5.08 120.40 107.57 3ea2 s VAL 202 Ca 0.29 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3ea2 s VAL 202 Cb 0.43 -3.01 0.09 0.00 0.56 0.00 0.00 36.38 34.45 3ea2 s VAL 202 CO 0.01 -0.07 1.14 0.54 -0.31 0.00 0.00 175.10 176.41 3ea2 s ASN 203 N -3.96 3.74 0.18 4.85 2.20 -1.26 -4.73 114.94 115.97 3ea2 s ASN 203 Ca 0.42 2.12 -0.17 0.00 -0.94 0.00 0.00 52.86 54.29 3ea2 s ASN 203 Cb -0.01 -2.56 0.15 0.00 -2.00 0.00 0.00 41.25 36.82 3ea2 s ASN 203 CO 0.25 -2.55 1.63 0.22 -2.94 0.00 0.00 177.10 173.70 3ea2 h TYR 204 N -1.22 -0.47 -0.69 1.54 5.03 -1.99 -1.34 116.97 117.82 3ea2 h TYR 204 Ca -0.44 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 60.92 3ea2 h TYR 204 Cb 1.26 0.28 -0.03 0.00 1.55 0.00 0.00 36.73 39.79 3ea2 h TYR 204 CO 0.52 -0.28 0.43 -0.44 -1.32 0.00 0.00 178.16 177.07 3ea2 h ASP 205 N -0.08 0.83 -0.69 -2.11 3.32 -2.00 -1.70 116.42 113.98 3ea2 h ASP 205 Ca 0.23 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ea2 h ASP 205 Cb 0.44 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3ea2 h ASP 205 CO -0.55 0.64 0.40 -0.08 -1.72 0.00 0.00 179.24 177.92 3ea2 h GLU 206 N 0.95 0.97 -0.03 3.56 4.57 -1.76 -2.16 114.58 120.68 3ea2 h GLU 206 Ca 0.25 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3ea2 h GLU 206 Cb -0.05 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.34 3ea2 h GLU 206 CO -0.05 0.70 -0.00 -0.22 -1.18 0.00 0.00 179.01 178.26 3ea2 h LYS 207 N 0.98 0.06 -0.44 1.92 1.63 -0.67 -0.90 116.57 119.16 3ea2 h LYS 207 Ca 0.25 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.04 3ea2 h LYS 207 Cb 0.00 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3ea2 h LYS 207 CO -0.04 0.36 0.28 0.28 -3.45 0.00 0.00 179.45 176.88 3ea2 h VAL 208 N -0.25 1.10 -0.53 2.00 2.07 -1.20 -0.55 116.25 118.89 3ea2 h VAL 208 Ca 0.01 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3ea2 h VAL 208 Cb 0.34 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ea2 h VAL 208 CO 0.00 0.11 0.11 0.50 0.02 0.00 0.00 177.57 178.31 3ea2 h LYS 209 N 0.58 0.83 -0.57 1.57 3.64 -1.39 -1.53 116.57 119.69 3ea2 h LYS 209 Ca 0.16 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3ea2 h LYS 209 Cb -0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3ea2 h LYS 209 CO -0.04 0.75 0.18 0.77 -2.27 0.00 0.00 179.45 178.84 3ea2 h SER 210 N 0.79 0.82 -0.18 4.20 0.02 -0.53 0.20 113.55 118.88 3ea2 h SER 210 Ca 0.17 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3ea2 h SER 210 Cb 0.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3ea2 h SER 210 CO 0.00 0.81 0.08 0.40 -1.14 0.00 0.00 176.83 176.98 3ea2 h ILE 211 N 0.79 1.15 -0.75 3.27 2.04 -0.82 -2.30 117.51 120.90 3ea2 h ILE 211 Ca 0.18 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3ea2 h ILE 211 Cb 0.28 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3ea2 h ILE 211 CO -0.01 0.14 0.23 0.11 0.00 0.00 0.00 178.15 178.63 3ea2 h LYS 212 N 0.15 1.17 -0.32 2.37 1.57 -1.09 -1.01 116.57 119.41 3ea2 h LYS 212 Ca 0.06 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3ea2 h LYS 212 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ea2 h LYS 212 CO -0.01 0.99 0.12 -0.44 -0.57 0.00 0.00 179.45 179.55 3ea2 h ASP 213 N 1.12 0.44 0.22 0.86 3.32 -0.49 0.32 116.42 122.20 3ea2 h ASP 213 Ca 0.24 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3ea2 h ASP 213 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3ea2 h ASP 213 CO -0.01 0.49 -0.46 0.74 -1.72 0.00 0.00 179.24 178.29 3ea2 h THR 214 N 0.36 1.33 -0.22 0.35 2.02 -1.35 -1.96 112.91 113.44 3ea2 h THR 214 Ca 0.11 -1.64 -0.17 0.00 0.77 0.00 0.00 66.41 65.47 3ea2 h THR 214 Cb 0.19 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3ea2 h THR 214 CO -0.01 0.49 -0.55 -0.03 0.37 0.00 0.00 175.52 175.79 3ea2 h MET 215 N 0.23 0.66 -0.81 6.66 1.85 -0.90 -1.81 114.93 120.82 3ea2 h MET 215 Ca 0.02 -0.42 -0.01 0.00 -0.61 0.00 0.00 59.70 58.68 3ea2 h MET 215 Cb 0.90 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.94 3ea2 h MET 215 CO 0.07 1.03 0.48 -0.44 -0.40 0.00 0.00 176.91 177.66 3ea2 h ASP 216 N 0.50 0.98 -0.38 1.39 3.32 -0.06 0.88 116.42 123.06 3ea2 h ASP 216 Ca 0.01 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3ea2 h ASP 216 Cb 1.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3ea2 h ASP 216 CO 0.11 0.76 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.29 3ea2 h GLU 217 N 1.12 0.68 -0.41 3.56 4.81 -1.16 -2.51 114.58 120.68 3ea2 h GLU 217 Ca 0.29 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ea2 h GLU 217 Cb -0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3ea2 h GLU 217 CO -0.05 0.79 0.25 1.15 -0.73 0.00 0.00 179.01 180.42 3ea2 h THR 218 N 0.49 1.13 -0.01 0.32 2.02 -0.68 -2.23 112.91 113.96 3ea2 h THR 218 Ca 0.10 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3ea2 h THR 218 Cb 0.50 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3ea2 h THR 218 CO 0.02 0.13 -0.14 0.24 0.37 0.00 0.00 175.52 176.14 3ea2 h MET 219 N 0.54 0.01 -0.65 6.66 2.86 -0.75 -2.38 114.93 121.21 3ea2 h MET 219 Ca 0.15 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3ea2 h MET 219 Cb -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3ea2 h MET 219 CO -0.03 0.15 0.00 0.09 1.06 0.00 0.00 176.91 178.19 3ea2 n ASN 220 N -4.37 4.50 -2.78 1.22 3.02 -0.95 -4.02 115.26 111.88 3ea2 n ASN 220 Ca -0.02 -2.42 -0.03 0.00 -0.03 0.00 0.00 54.58 52.08 3ea2 n ASN 220 Cb 0.21 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 38.87 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 1.05 1.32 0.17 6.41 5.15 -0.88 -4.94 115.26 123.54 3ea2 n ASN 221 Ca 0.24 -2.23 0.13 0.00 -0.60 0.00 0.00 54.58 52.13 3ea2 n ASN 221 Cb 0.85 -0.41 0.56 0.00 -0.53 0.00 0.00 39.78 40.25 3ea2 n ASN 221 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3ea2 h SER 222 N 2.63 0.00 0.01 1.20 4.64 -1.67 -3.02 113.55 117.34 3ea2 h SER 222 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ea2 h SER 222 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ea2 h SER 222 CO 0.24 0.00 -0.22 -0.62 -0.87 0.00 0.00 176.83 175.36 3ea2 n GLU 223 N -2.41 1.64 -2.36 4.77 4.71 -1.26 -4.80 120.64 120.94 3ea2 n GLU 223 Ca 0.01 -1.29 -0.35 0.00 -0.01 0.00 0.00 57.16 55.51 3ea2 n GLU 223 Cb 0.21 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 29.13 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 -2.25 5.98 0.44 1.62 -1.08 -1.14 -4.83 116.67 115.40 3ea2 s ASP 224 Ca 0.25 -1.32 0.14 0.00 -0.52 0.00 0.00 52.55 51.10 3ea2 s ASP 224 Cb 0.19 -2.57 0.97 0.00 -1.46 0.00 0.00 42.92 40.06 3ea2 s ASP 224 CO 0.44 -2.00 1.97 -0.07 0.52 0.00 0.00 175.17 176.03 3ea2 h LEU 225 N 14.83 0.00 -3.68 -1.34 3.38 -1.90 -2.92 115.31 123.68 3ea2 h LEU 225 Ca 0.19 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 3ea2 h LEU 225 Cb 0.99 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 3ea2 h LEU 225 CO 1.34 0.20 0.31 -0.46 0.09 0.00 0.00 178.44 179.93 3ea2 n ASN 226 N -4.29 4.64 -4.44 -0.43 2.04 -1.26 -4.38 115.26 107.14 3ea2 n ASN 226 Ca -0.02 -3.21 -0.33 0.00 -0.44 0.00 0.00 54.58 50.58 3ea2 n ASN 226 Cb 0.26 -0.75 -0.13 0.00 -2.53 0.00 0.00 39.78 36.63 3ea2 n ASN 226 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 3ea2 s HIS 227 N -2.92 2.79 -0.20 -2.53 2.46 -1.11 -0.57 115.29 113.22 3ea2 s HIS 227 Ca 0.53 -0.38 -0.03 0.00 0.47 0.00 0.00 55.06 55.65 3ea2 s HIS 227 Cb 0.43 -1.76 -0.01 0.00 -0.13 0.00 0.00 32.58 31.11 3ea2 s HIS 227 CO 0.13 -0.00 -0.05 -1.17 -2.47 0.00 0.00 174.74 171.17 3ea2 s LEU 228 N -0.16 2.93 -0.20 8.88 2.96 0.26 -4.52 118.68 128.84 3ea2 s LEU 228 Ca -0.00 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3ea2 s LEU 228 Cb -0.13 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3ea2 s LEU 228 CO 0.03 0.03 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.72 3ea2 s TYR 229 N 1.17 2.93 -0.18 5.38 2.02 -1.26 -0.09 117.35 127.32 3ea2 s TYR 229 Ca 0.02 -0.92 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 3ea2 s TYR 229 Cb -0.14 -2.05 0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3ea2 s TYR 229 CO -0.01 -0.50 -0.16 0.42 -1.57 0.00 0.00 175.55 173.73 3ea2 s ILE 230 N 1.25 1.86 -0.31 2.71 1.01 -0.51 -0.61 121.20 126.61 3ea2 s ILE 230 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3ea2 s ILE 230 Cb -0.14 -1.77 0.08 0.00 0.01 0.00 0.00 42.46 40.64 3ea2 s ILE 230 CO -0.03 0.40 -0.02 0.21 0.00 0.00 0.00 174.94 175.50 3ea2 s ASN 231 N 1.34 4.63 -0.31 3.58 3.84 1.00 -1.28 114.94 127.75 3ea2 s ASN 231 Ca 0.03 -1.82 -0.26 0.00 0.21 0.00 0.00 52.86 51.01 3ea2 s ASN 231 Cb -0.14 -1.60 0.01 0.00 -0.55 0.00 0.00 41.25 38.97 3ea2 s ASN 231 CO -0.11 -0.30 0.94 -0.36 -2.79 0.00 0.00 177.10 174.48 3ea2 s PHE 232 N 0.99 3.18 -0.92 0.43 0.40 -0.74 -1.53 117.98 119.79 3ea2 s PHE 232 Ca 0.02 1.02 0.26 0.00 -0.60 0.00 0.00 56.93 57.62 3ea2 s PHE 232 Cb -0.19 -3.45 0.60 0.00 0.51 0.00 0.00 43.02 40.48 3ea2 s PHE 232 CO -0.07 -0.66 1.49 0.25 0.70 0.00 0.00 175.22 176.93 3ea2 n THR 233 N 5.69 0.08 -2.11 0.64 -2.24 -0.27 -4.83 114.28 111.24 3ea2 n THR 233 Ca 0.08 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.45 3ea2 n THR 233 Cb 0.48 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.27 5.40 -0.03 3.42 1.04 -1.24 -4.87 113.70 114.15 3ea2 s SER 234 Ca 0.11 2.31 0.01 0.00 0.48 0.00 0.00 55.95 58.85 3ea2 s SER 234 Cb 0.17 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.72 3ea2 s SER 234 CO 0.67 -1.45 -0.01 -0.22 0.98 0.00 0.00 173.24 173.21 3ea2 s LEU 235 N -3.96 1.31 0.62 2.42 2.96 -1.26 -4.74 118.68 116.03 3ea2 s LEU 235 Ca 0.76 -0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 54.43 3ea2 s LEU 235 Cb -0.28 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 3ea2 s LEU 235 CO 0.31 -0.07 1.32 -0.94 -1.32 0.00 0.00 176.35 175.65 3ea2 s SER 236 N 0.84 4.77 0.54 3.68 1.04 0.31 -4.37 113.70 120.51 3ea2 s SER 236 Ca -0.09 2.69 -0.21 0.00 0.48 0.00 0.00 55.95 58.82 3ea2 s SER 236 Cb -0.12 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.32 3ea2 s SER 236 CO -0.01 -1.90 1.25 -0.55 0.98 0.00 0.00 173.24 173.00 3ea2 s SER 237 N -1.24 5.48 0.00 7.02 0.15 -1.26 -4.80 113.70 119.05 3ea2 s SER 237 Ca 0.80 2.49 0.22 0.00 0.70 0.00 0.00 55.95 60.16 3ea2 s SER 237 Cb -0.39 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.30 3ea2 s SER 237 CO 0.43 -1.41 1.07 0.61 1.20 0.00 0.00 173.24 175.14 3ea2 n GLY 238 N 0.57 0.06 1.36 9.45 0.00 0.14 -4.97 105.19 111.81 3ea2 n GLY 238 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.40 0.73 3.45 -0.02 0.00 -1.26 -5.02 105.19 104.48 3ea2 n GLY 239 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.90 1.49 0.47 2.61 -4.23 -1.26 -4.89 115.64 106.93 3ea2 s THR 240 Ca 0.00 -2.06 0.18 0.00 -1.18 0.00 0.00 61.69 58.63 3ea2 s THR 240 Cb 0.00 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.44 3ea2 s THR 240 CO 0.00 -0.16 2.06 0.00 -0.54 0.00 0.00 174.62 175.99 3ea2 h ALA 241 N 2.17 1.69 -0.18 3.99 0.00 -1.97 -2.30 119.26 122.66 3ea2 h ALA 241 Ca -0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ea2 h ALA 241 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ea2 h ALA 241 CO 0.70 0.15 0.00 -2.67 0.00 0.00 0.00 179.25 177.42 3ea2 n TRP 242 N -4.22 0.23 -2.71 0.00 2.14 -1.26 -4.20 117.44 107.42 3ea2 n TRP 242 Ca -0.03 -0.12 -0.05 0.00 2.07 0.00 0.00 57.50 59.38 3ea2 n TRP 242 Cb 0.19 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 30.78 3ea2 n TRP 242 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 3ea2 n ASN 243 N 0.45 -0.39 -4.99 -0.67 2.04 -0.90 -4.86 115.26 105.94 3ea2 n ASN 243 Ca 0.16 -2.36 -0.19 0.00 -0.44 0.00 0.00 54.58 51.76 3ea2 n ASN 243 Cb 0.36 0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.91 3ea2 n ASN 243 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3ea2 s SER 244 N -2.10 5.85 0.52 0.53 1.04 -0.98 0.24 113.70 118.80 3ea2 s SER 244 Ca 0.20 -0.22 0.20 0.00 0.48 0.00 0.00 55.95 56.62 3ea2 s SER 244 Cb 0.41 -1.07 1.30 0.00 0.10 0.00 0.00 66.02 66.76 3ea2 s SER 244 CO -0.06 -0.57 2.06 -0.65 0.98 0.00 0.00 173.24 175.00 3ea2 h PRO 245 N 0.76 0.04 0.19 4.02 0.11 -1.78 -1.43 132.00 133.91 3ea2 h PRO 245 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3ea2 h PRO 245 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ea2 h PRO 245 CO 0.51 0.03 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.32 3ea2 h TYR 246 N 0.04 -0.23 -1.00 0.65 3.20 -1.93 -0.63 116.97 117.08 3ea2 h TYR 246 Ca 0.14 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3ea2 h TYR 246 Cb 0.50 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 3ea2 h TYR 246 CO -0.00 0.13 0.65 0.66 -1.64 0.00 0.00 178.16 177.97 3ea2 h SER 247 N -0.66 1.08 -0.31 -2.11 4.64 -1.67 0.00 113.55 114.52 3ea2 h SER 247 Ca -0.03 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3ea2 h SER 247 Cb 0.47 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3ea2 h SER 247 CO 0.04 0.73 -0.04 1.88 -0.87 0.00 0.00 176.83 178.57 3ea2 h TYR 248 N 1.25 0.64 -0.51 4.77 0.05 -1.28 -3.10 116.97 118.79 3ea2 h TYR 248 Ca 0.40 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 3ea2 h TYR 248 Cb 0.03 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 3ea2 h TYR 248 CO -0.00 0.74 0.10 0.00 -1.05 0.00 0.00 178.16 177.95 3ea2 h ALA 249 N 0.81 1.22 -0.65 3.88 0.00 -0.60 -1.05 119.26 122.88 3ea2 h ALA 249 Ca 0.08 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.94 3ea2 h ALA 249 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ea2 h ALA 249 CO 0.02 0.53 0.45 0.66 0.00 0.00 0.00 179.25 180.92 3ea2 h SER 250 N 0.76 0.18 0.00 0.00 4.64 -0.93 -1.49 113.55 116.71 3ea2 h SER 250 Ca 0.16 0.01 -0.35 0.00 -0.47 0.00 0.00 61.79 61.14 3ea2 h SER 250 Cb 0.32 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 3ea2 h SER 250 CO 0.00 0.10 -2.34 -1.54 -0.87 0.00 0.00 176.83 172.18 3ea2 n SER 251 N -4.42 1.64 -0.11 4.97 3.41 -1.07 -4.49 113.62 113.55 3ea2 n SER 251 Ca 0.12 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3ea2 n SER 251 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.00 1.29 -0.40 -1.33 2.04 -1.05 -2.65 117.51 115.40 3ea2 h ILE 252 Ca -0.53 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.09 3ea2 h ILE 252 Cb 1.92 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 3ea2 h ILE 252 CO -0.05 0.41 0.20 0.78 0.00 0.00 0.00 178.15 179.49 3ea2 h ASN 253 N 0.45 0.29 -0.10 1.72 2.35 -1.51 -0.70 115.58 118.08 3ea2 h ASN 253 Ca 0.07 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 3ea2 h ASN 253 Cb 0.70 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3ea2 h ASN 253 CO 0.05 0.21 -0.46 -0.65 -1.65 0.00 0.00 177.43 174.93 3ea2 h PRO 254 N 0.41 0.66 0.56 0.81 0.11 -1.77 -1.60 132.00 131.17 3ea2 h PRO 254 Ca 0.17 -0.37 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 3ea2 h PRO 254 Cb 0.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3ea2 h PRO 254 CO -0.12 0.98 -0.27 1.49 -0.21 0.00 0.00 178.00 179.86 3ea2 h GLU 255 N 0.53 -0.73 -0.38 1.05 4.57 -1.14 0.16 114.58 118.63 3ea2 h GLU 255 Ca 0.03 0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3ea2 h GLU 255 Cb 1.00 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 3ea2 h GLU 255 CO 0.09 -0.49 -0.17 0.82 -1.18 0.00 0.00 179.01 178.08 3ea2 h ILE 256 N -0.76 1.26 -0.51 2.32 1.08 -1.19 -2.16 117.51 117.56 3ea2 h ILE 256 Ca -0.07 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.12 3ea2 h ILE 256 Cb 0.59 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3ea2 h ILE 256 CO 0.12 0.41 0.16 0.00 -0.69 0.00 0.00 178.15 178.15 3ea2 h ALA 257 N 1.17 1.33 -0.12 1.87 0.00 -1.17 -1.90 119.26 120.44 3ea2 h ALA 257 Ca 0.10 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3ea2 h ALA 257 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ea2 h ALA 257 CO 0.05 0.48 -0.47 -0.97 0.00 0.00 0.00 179.25 178.34 3ea2 h ASN 258 N 0.73 0.33 -0.31 0.00 -0.73 -0.53 -1.70 115.58 113.38 3ea2 h ASN 258 Ca 0.17 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.19 3ea2 h ASN 258 Cb 0.21 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3ea2 h ASN 258 CO -0.01 0.75 0.20 0.44 -0.37 0.00 0.00 177.43 178.45 3ea2 h ASP 259 N 0.24 0.36 -0.29 1.15 3.32 -0.72 -0.87 116.42 119.61 3ea2 h ASP 259 Ca 0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3ea2 h ASP 259 Cb 0.93 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3ea2 h ASP 259 CO 0.08 0.26 0.05 0.40 -1.72 0.00 0.00 179.24 178.31 3ea2 h ILE 260 N 0.42 1.23 -0.05 0.35 2.04 -1.36 -1.54 117.51 118.61 3ea2 h ILE 260 Ca 0.11 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3ea2 h ILE 260 Cb -0.05 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3ea2 h ILE 260 CO -0.02 0.26 -0.09 0.50 0.00 0.00 0.00 178.15 178.79 3ea2 h LYS 261 N 0.30 -0.13 0.23 2.37 3.64 -1.09 0.16 116.57 122.06 3ea2 h LYS 261 Ca 0.09 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ea2 h LYS 261 Cb 0.34 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3ea2 h LYS 261 CO 0.01 -0.09 -0.11 1.96 -2.27 0.00 0.00 179.45 178.95 3ea2 h GLN 262 N -0.14 -0.30 -0.30 1.90 4.20 -1.13 -3.22 115.11 116.12 3ea2 h GLN 262 Ca 0.05 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 3ea2 h GLN 262 Cb 0.21 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3ea2 h GLN 262 CO -0.13 -0.13 -0.19 0.87 -0.67 0.00 0.00 178.83 178.59 3ea2 h LYS 263 N -0.41 0.54 -6.01 1.46 1.57 -1.20 -3.48 116.57 109.04 3ea2 h LYS 263 Ca -0.03 -0.19 -0.39 0.00 -1.87 0.00 0.00 60.65 58.17 3ea2 h LYS 263 Cb 0.31 -0.04 0.09 0.00 0.08 0.00 0.00 32.23 32.67 3ea2 h LYS 263 CO 0.05 0.71 -0.87 -1.71 -0.57 0.00 0.00 179.45 177.06 3ea2 n ASN 264 N -4.15 -3.22 -4.78 0.86 5.15 0.55 -4.99 115.26 104.69 3ea2 n ASN 264 Ca 0.00 -0.86 -0.29 0.00 -0.60 0.00 0.00 54.58 52.84 3ea2 n ASN 264 Cb 0.37 -4.07 0.13 0.00 -0.53 0.00 0.00 39.78 35.68 3ea2 n ASN 264 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ea2 s PRO 265 N -5.70 1.30 0.00 1.20 0.04 -1.26 -5.00 135.00 125.58 3ea2 s PRO 265 Ca 0.21 0.21 0.24 0.00 0.04 0.00 0.00 61.00 61.70 3ea2 s PRO 265 Cb -0.06 -1.87 0.25 0.00 0.04 0.00 0.00 34.50 32.87 3ea2 s PRO 265 CO 0.81 -2.07 1.28 0.25 0.04 0.00 0.00 177.00 177.31 3ea2 n THR 266 N -3.66 0.00 -3.63 1.26 -2.24 -1.26 -4.73 114.28 100.02 3ea2 n THR 266 Ca 0.07 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 3ea2 n THR 266 Cb 0.60 1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 70.01 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 -2.18 0.58 0.00 -0.78 3.52 -1.25 -4.66 118.95 114.17 3ea2 s ARG 267 Ca 0.26 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 3ea2 s ARG 267 Cb 0.19 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 3ea2 s ARG 267 CO 0.40 -0.08 0.11 1.33 -0.81 0.00 0.00 175.30 176.25 3ea2 n VAL 268 N 2.21 0.01 -2.68 7.11 0.24 -1.26 -3.74 118.33 120.22 3ea2 n VAL 268 Ca -0.13 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3ea2 n VAL 268 Cb 0.56 1.79 0.00 0.00 -1.47 0.00 0.00 33.84 34.72 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 -0.00 -1.81 3.43 7.63 0.00 -1.26 -4.71 105.19 108.47 3ea2 n GLY 269 Ca 0.00 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 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 3.12 -0.47 1.61 0.52 0.22 -1.82 118.94 122.12 3ea2 s TRP 270 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 56.10 55.30 3ea2 s TRP 270 Cb 0.00 -3.38 0.07 0.00 -1.15 0.00 0.00 33.47 29.01 3ea2 s TRP 270 CO 0.00 -0.94 0.40 0.08 0.02 0.00 0.00 176.95 176.51 3ea2 s VAL 271 N 2.27 5.23 -0.44 4.03 1.01 -0.66 -0.00 120.40 131.84 3ea2 s VAL 271 Ca 0.11 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3ea2 s VAL 271 Cb -0.21 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3ea2 s VAL 271 CO 0.10 -0.59 0.61 -0.63 0.00 0.00 0.00 175.10 174.59 3ea2 s ILE 272 N 1.66 4.87 0.33 2.22 -1.09 -0.58 -0.86 121.20 127.75 3ea2 s ILE 272 Ca 0.04 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.57 3ea2 s ILE 272 Cb -0.24 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 3ea2 s ILE 272 CO 0.07 -0.57 0.03 0.00 -1.23 0.00 0.00 174.94 173.24 3ea2 s GLN 273 N 2.70 2.15 0.28 2.79 -2.07 0.14 -1.12 119.66 124.53 3ea2 s GLN 273 Ca 0.21 -1.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.06 3ea2 s GLN 273 Cb -0.15 -1.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.74 3ea2 s GLN 273 CO 0.18 0.15 0.47 -0.51 -1.32 0.00 0.00 175.29 174.26 3ea2 s ASP 274 N -3.74 6.34 -0.81 12.60 1.01 -1.26 -0.83 116.67 129.98 3ea2 s ASP 274 Ca 0.35 0.40 -0.01 0.00 0.71 0.00 0.00 52.55 54.00 3ea2 s ASP 274 Cb -0.01 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.91 3ea2 s ASP 274 CO 0.20 -0.18 0.61 -1.22 0.21 0.00 0.00 175.17 174.79 3ea2 n TYR 275 N -1.32 -2.13 -2.42 4.23 4.02 0.32 -4.90 117.16 114.95 3ea2 n TYR 275 Ca -0.05 0.87 -0.42 0.00 -0.01 0.00 0.00 57.90 58.29 3ea2 n TYR 275 Cb 0.55 -2.83 -0.03 0.00 -0.02 0.00 0.00 39.34 37.01 3ea2 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ea2 s ILE 276 N -2.94 4.02 0.06 -0.72 1.01 -1.26 -4.93 121.20 116.44 3ea2 s ILE 276 Ca 0.01 1.45 -0.06 0.00 0.00 0.00 0.00 60.65 62.06 3ea2 s ILE 276 Cb -0.00 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.56 3ea2 s ILE 276 CO 0.89 0.11 0.29 -0.46 0.00 0.00 0.00 174.94 175.77 3ea2 n ASN 277 N 3.90 -0.50 -0.71 3.58 0.23 -1.26 -4.73 115.26 115.76 3ea2 n ASN 277 Ca 0.09 -1.27 0.05 0.00 -0.53 0.00 0.00 54.58 52.91 3ea2 n ASN 277 Cb 0.46 0.82 0.19 0.00 -2.08 0.00 0.00 39.78 39.17 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 -0.20 1.59 0.04 -3.83 1.02 -1.26 -4.70 120.64 113.29 3ea2 n GLU 278 Ca -0.01 -3.27 -0.04 0.00 -0.02 0.00 0.00 57.16 53.82 3ea2 n GLU 278 Cb 0.16 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.05 0.00 -5.88 3.49 3.64 -1.96 -3.46 116.57 113.45 3ea2 h LYS 279 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 3ea2 h LYS 279 Cb 1.07 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.62 3ea2 h LYS 279 CO 0.04 0.52 -0.80 -1.58 -2.27 0.00 0.00 179.45 175.36 3ea2 s TRP 280 N -2.78 2.67 -0.02 1.91 0.51 -1.26 -5.12 118.94 114.85 3ea2 s TRP 280 Ca -0.02 -0.49 0.07 0.00 -2.12 0.00 0.00 56.10 53.54 3ea2 s TRP 280 Cb 0.09 -1.70 -0.02 0.00 -0.81 0.00 0.00 33.47 31.03 3ea2 s TRP 280 CO 0.81 -0.07 -0.23 0.45 -0.51 0.00 0.00 176.95 177.40 3ea2 s SER 281 N -0.19 3.30 0.76 2.95 0.15 -1.26 -3.71 113.70 115.70 3ea2 s SER 281 Ca -0.01 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 3ea2 s SER 281 Cb -0.13 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.78 3ea2 s SER 281 CO 0.03 0.32 1.10 -2.84 1.20 0.00 0.00 173.24 173.05 3ea2 s PRO 282 N -0.72 2.24 -0.31 5.44 0.02 -1.26 -4.87 135.00 135.54 3ea2 s PRO 282 Ca 0.11 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.15 3ea2 s PRO 282 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3ea2 s PRO 282 CO -0.00 -1.67 0.82 -0.51 -0.33 0.00 0.00 177.00 175.31 3ea2 s LEU 283 N -5.76 4.08 0.13 -5.54 1.43 -1.24 -4.44 118.68 107.34 3ea2 s LEU 283 Ca 0.63 0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 3ea2 s LEU 283 Cb -0.19 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3ea2 s LEU 283 CO 0.53 -0.64 1.66 0.25 0.23 0.00 0.00 176.35 178.38 3ea2 h LEU 284 N 9.52 -0.51 -1.68 1.79 5.85 -1.86 -2.17 115.31 126.25 3ea2 h LEU 284 Ca -0.24 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3ea2 h LEU 284 Cb 1.09 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3ea2 h LEU 284 CO 0.90 -0.21 0.08 0.10 -0.34 0.00 0.00 178.44 178.97 3ea2 h TYR 285 N -0.19 0.28 -0.21 1.25 -0.00 -1.93 -0.54 116.97 115.62 3ea2 h TYR 285 Ca 0.10 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.73 3ea2 h TYR 285 Cb 0.34 -0.09 -0.00 0.00 -0.00 0.00 0.00 36.73 36.98 3ea2 h TYR 285 CO -0.29 0.23 -0.26 1.96 -0.00 0.00 0.00 178.16 179.80 3ea2 h GLN 286 N 0.29 0.55 -0.29 0.10 4.20 -1.76 -1.69 115.11 116.49 3ea2 h GLN 286 Ca 0.07 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 3ea2 h GLN 286 Cb 0.07 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3ea2 h GLN 286 CO -0.01 0.90 -0.13 0.93 -0.67 0.00 0.00 178.83 179.85 3ea2 h GLU 287 N 0.22 0.50 -0.44 1.46 4.39 -1.01 0.52 114.58 120.23 3ea2 h GLU 287 Ca 0.03 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3ea2 h GLU 287 Cb 0.82 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3ea2 h GLU 287 CO 0.06 0.63 0.08 0.28 -1.16 0.00 0.00 179.01 178.90 3ea2 h VAL 288 N 0.47 1.24 -0.45 3.13 2.07 -1.03 -2.41 116.25 119.27 3ea2 h VAL 288 Ca 0.08 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3ea2 h VAL 288 Cb 0.51 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ea2 h VAL 288 CO 0.03 0.31 -0.05 0.40 0.02 0.00 0.00 177.57 178.28 3ea2 h ILE 289 N 0.58 1.27 0.00 4.57 2.04 -0.84 -2.72 117.51 122.42 3ea2 h ILE 289 Ca 0.13 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3ea2 h ILE 289 Cb 0.37 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3ea2 h ILE 289 CO 0.01 0.39 0.00 0.03 0.00 0.00 0.00 178.15 178.58 3ea2 h ARG 290 N 0.67 0.00 0.00 2.37 3.08 -0.77 -1.99 114.38 117.74 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 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ea2 h ARG 290 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 3ea2 n ALA 291 N -1.90 2.28 0.39 0.04 0.00 -0.92 -2.45 120.51 117.95 3ea2 n ALA 291 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3ea2 n ALA 291 Cb 0.13 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.94 3.29 -0.35 0.00 3.02 -0.75 -3.89 115.26 115.64 3ea2 n ASN 292 Ca 0.14 -1.97 0.13 0.00 -0.03 0.00 0.00 54.58 52.85 3ea2 n ASN 292 Cb 0.06 -0.25 0.32 0.00 -0.61 0.00 0.00 39.78 39.30 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 4.23 0.73 0.00 3.52 2.10 -1.70 -0.85 116.57 124.60 3ea2 h LYS 293 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3ea2 h LYS 293 Cb 0.93 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3ea2 h LYS 293 CO 0.00 0.48 0.00 -1.13 -2.00 0.00 0.00 179.45 176.80 3ea2 n SER 294 N -4.78 0.57 0.15 7.07 3.41 -1.26 -2.71 113.62 116.07 3ea2 n SER 294 Ca 0.23 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.60 3ea2 n SER 294 Cb 0.57 -0.76 0.16 0.00 -0.26 0.00 0.00 64.21 63.91 3ea2 n SER 294 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ea2 h LEU 295 N 0.00 0.00 0.00 1.04 3.38 -1.49 -3.54 115.31 114.70 3ea2 h LEU 295 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ea2 h LEU 295 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3ea2 h LEU 295 CO 0.00 0.01 0.00 -0.38 0.09 0.00 0.00 178.44 178.16