#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lga s THR 2 N 0.00 5.19 0.93 0.00 2.01 -1.26 -0.31 115.64 122.20 1lga s THR 2 Ca 0.00 0.62 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 1lga s THR 2 Cb 0.00 -3.71 0.15 0.00 0.01 0.00 0.00 72.50 68.96 1lga s THR 2 CO 0.00 0.20 1.17 0.00 -0.69 0.00 0.00 174.62 175.30 1lga h ALA 4 N -1.56 2.04 -0.04 0.00 0.00 -1.95 -0.07 119.26 117.69 1lga h ALA 4 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1lga h ALA 4 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1lga h ALA 4 CO 0.56 -0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.99 1lga n ASN 5 N -4.48 0.34 0.00 0.00 0.23 -1.26 -4.93 115.26 105.15 1lga n ASN 5 Ca 0.03 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 1lga n ASN 5 Cb 0.23 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1lga n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1lga n GLY 6 N 0.83 1.67 3.81 4.83 0.00 -0.04 -5.04 105.19 111.25 1lga n GLY 6 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1lga n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lga s LYS 7 N -0.39 4.24 -0.04 1.61 1.02 -1.26 -4.74 119.74 120.17 1lga s LYS 7 Ca 0.00 0.82 -0.07 0.00 0.02 0.00 0.00 55.97 56.74 1lga s LYS 7 Cb 0.00 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1lga s LYS 7 CO 0.00 0.45 0.23 0.99 -0.92 0.00 0.00 175.35 176.10 1lga s THR 8 N -1.43 5.36 0.19 2.17 2.01 -1.26 -0.58 115.64 122.10 1lga s THR 8 Ca 0.40 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1lga s THR 8 Cb -0.17 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1lga s THR 8 CO 0.21 0.47 0.07 0.68 -0.69 0.00 0.00 174.62 175.36 1lga s VAL 9 N -1.19 0.30 -0.04 3.82 -7.23 0.58 -4.96 120.40 111.67 1lga s VAL 9 Ca 0.23 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 1lga s VAL 9 Cb -0.13 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.42 1lga s VAL 9 CO 0.12 -0.23 0.52 1.23 -0.31 0.00 0.00 175.10 176.43 1lga h GLY 10 N 2.65 -0.46 -5.75 2.32 0.00 -1.87 0.47 103.07 100.43 1lga h GLY 10 Ca -0.36 0.17 -0.64 0.00 0.00 0.00 0.00 47.33 46.49 1lga h GLY 10 CO 0.59 -0.17 -0.62 -0.35 0.00 0.00 0.00 176.54 175.98 1lga s ASP 11 N -4.91 5.17 0.61 0.19 -1.08 -1.26 -4.12 116.67 111.27 1lga s ASP 11 Ca -0.06 0.02 0.35 0.00 -0.52 0.00 0.00 52.55 52.33 1lga s ASP 11 Cb 0.01 -1.74 2.01 0.00 -1.46 0.00 0.00 42.92 41.74 1lga s ASP 11 CO 0.19 0.24 2.29 0.00 0.52 0.00 0.00 175.17 178.41 1lga h ALA 12 N 6.22 1.35 0.00 3.66 0.00 -1.91 -1.40 119.26 127.18 1lga h ALA 12 Ca -0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1lga h ALA 12 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1lga h ALA 12 CO 0.62 0.00 -0.05 0.66 0.00 0.00 0.00 179.25 180.49 1lga h SER 13 N 0.00 0.00 0.95 0.00 4.64 -2.00 -0.92 113.55 116.22 1lga h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lga h SER 13 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1lga h SER 13 CO 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1lga h ALA 16 N 1.43 2.37 0.00 0.00 0.00 -1.77 -2.12 119.26 119.18 1lga h ALA 16 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1lga h ALA 16 Cb 0.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1lga h ALA 16 CO 0.01 -0.52 0.00 -1.49 0.00 0.00 0.00 179.25 177.24 1lga h TRP 17 N 0.00 0.00 -0.78 0.00 4.06 -1.53 -2.18 115.95 115.52 1lga h TRP 17 Ca 0.20 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.11 1lga h TRP 17 Cb 0.81 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.94 1lga h TRP 17 CO 0.00 0.00 0.34 0.74 -3.56 0.00 0.00 178.44 175.96 1lga h PHE 18 N 0.00 1.16 -0.43 0.49 0.04 -1.52 0.29 116.94 116.97 1lga h PHE 18 Ca 0.00 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1lga h PHE 18 Cb 0.53 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1lga h PHE 18 CO 0.00 0.86 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.92 1lga h ASP 19 N 1.12 0.93 -0.70 2.17 3.32 -1.55 0.17 116.42 121.88 1lga h ASP 19 Ca 0.26 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1lga h ASP 19 Cb 0.17 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1lga h ASP 19 CO -0.03 1.13 0.46 0.58 -1.72 0.00 0.00 179.24 179.67 1lga h VAL 20 N 0.73 1.17 -0.12 -1.35 2.07 -1.16 -0.84 116.25 116.75 1lga h VAL 20 Ca 0.09 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1lga h VAL 20 Cb 0.78 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1lga h VAL 20 CO 0.06 0.17 -0.01 0.25 0.02 0.00 0.00 177.57 178.06 1lga h LEU 21 N 0.94 -0.08 -0.71 2.57 5.85 0.14 0.13 115.31 124.15 1lga h LEU 21 Ca 0.26 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1lga h LEU 21 Cb -0.10 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1lga h LEU 21 CO -0.06 -0.02 -0.00 0.44 -0.34 0.00 0.00 178.44 178.46 1lga h ASP 22 N 0.02 0.96 -0.23 1.25 3.32 -0.86 0.48 116.42 121.37 1lga h ASP 22 Ca 0.06 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1lga h ASP 22 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1lga h ASP 22 CO -0.11 1.02 0.03 -0.78 -1.72 0.00 0.00 179.24 177.68 1lga h ASP 23 N 0.91 0.38 1.06 6.45 3.58 -0.36 -2.94 116.42 125.50 1lga h ASP 23 Ca 0.16 -0.27 -0.18 0.00 0.42 0.00 0.00 57.03 57.16 1lga h ASP 23 Cb 0.53 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 1lga h ASP 23 CO 0.03 0.56 -0.84 0.16 -2.88 0.00 0.00 179.24 176.27 1lga h ILE 24 N 0.19 1.49 -0.80 2.25 3.07 -0.52 -0.11 117.51 123.08 1lga h ILE 24 Ca 0.07 -3.00 -0.01 0.00 1.55 0.00 0.00 64.86 63.47 1lga h ILE 24 Cb 0.35 2.67 -0.04 0.00 -0.27 0.00 0.00 36.82 39.53 1lga h ILE 24 CO 0.01 0.82 0.44 1.56 -1.05 0.00 0.00 178.15 179.93 1lga h GLN 25 N 0.00 1.10 0.01 0.16 1.08 -0.91 0.58 115.11 117.12 1lga h GLN 25 Ca -0.01 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1lga h GLN 25 Cb 1.60 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1lga h GLN 25 CO 0.11 0.80 -0.33 0.00 -0.95 0.00 0.00 178.83 178.46 1lga h ALA 26 N 1.38 0.06 -0.01 3.87 0.00 -1.51 0.34 119.26 123.39 1lga h ALA 26 Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1lga h ALA 26 Cb 0.02 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lga h ALA 26 CO -0.05 0.18 -0.52 0.09 0.00 0.00 0.00 179.25 178.95 1lga n ASN 27 N -4.55 1.79 0.00 0.00 3.02 -0.06 -3.64 115.26 111.83 1lga n ASN 27 Ca -0.15 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1lga n ASN 27 Cb 0.54 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1lga n ASN 27 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1lga n MET 28 N -0.28 0.11 -0.50 3.52 1.56 -0.12 -4.83 117.12 116.57 1lga n MET 28 Ca 0.09 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.61 1lga n MET 28 Cb 0.44 -0.89 0.32 0.00 2.15 0.00 0.00 33.22 35.25 1lga n MET 28 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1lga n PHE 29 N -2.26 1.24 -3.78 1.12 3.72 0.01 -4.81 117.46 112.70 1lga n PHE 29 Ca 0.00 -0.52 -0.23 0.00 -0.05 0.00 0.00 57.45 56.65 1lga n PHE 29 Cb 0.39 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1lga n PHE 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1lga n HIS 30 N 1.20 -1.83 -2.08 1.38 8.25 -1.12 -1.00 115.22 120.02 1lga n HIS 30 Ca 0.24 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1lga n HIS 30 Cb 0.75 -4.19 0.00 0.00 1.12 0.00 0.00 29.99 27.67 1lga n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lga n GLY 31 N -1.70 0.89 2.73 -1.41 0.00 0.12 -4.23 105.19 101.58 1lga n GLY 31 Ca -0.30 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1lga n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 32 N -0.55 -0.04 3.92 -0.02 0.00 -0.87 -5.00 105.19 102.63 1lga n GLY 32 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1lga n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lga s GLN 33 N -5.43 3.55 -1.05 1.61 -0.21 -0.17 -4.78 119.66 113.18 1lga s GLN 33 Ca 0.22 -0.15 -0.03 0.00 0.02 0.00 0.00 55.36 55.41 1lga s GLN 33 Cb -0.10 -2.65 0.31 0.00 1.00 0.00 0.00 33.01 31.57 1lga s GLN 33 CO 0.47 0.17 1.47 0.00 -2.12 0.00 0.00 175.29 175.28 1lga n GLY 35 N 1.21 5.46 0.28 0.00 0.00 -1.26 -4.31 105.19 106.57 1lga n GLY 35 Ca 0.27 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.66 1lga n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga h ALA 36 N 1.00 1.06 0.02 4.61 0.00 -1.92 -0.20 119.26 123.84 1lga h ALA 36 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 1lga h ALA 36 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lga h ALA 36 CO 0.00 -0.06 -0.99 0.93 0.00 0.00 0.00 179.25 179.13 1lga h GLU 37 N 0.60 0.43 -0.75 0.00 3.07 -1.92 -0.78 114.58 115.23 1lga h GLU 37 Ca 0.38 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1lga h GLU 37 Cb 0.45 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1lga h GLU 37 CO -0.30 1.14 0.48 0.00 -1.40 0.00 0.00 179.01 178.93 1lga h ALA 38 N 0.69 0.96 -0.46 3.43 0.00 -1.63 -0.71 119.26 121.53 1lga h ALA 38 Ca -0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1lga h ALA 38 Cb 1.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1lga h ALA 38 CO 0.17 0.40 -0.07 0.45 0.00 0.00 0.00 179.25 180.20 1lga h HIS 39 N 1.02 0.96 -0.84 0.00 3.86 -0.70 -2.02 115.15 117.42 1lga h HIS 39 Ca 0.27 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1lga h HIS 39 Cb -0.08 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.11 1lga h HIS 39 CO -0.02 0.94 0.41 0.93 0.86 0.00 0.00 177.93 181.05 1lga h GLU 40 N 0.70 1.22 0.00 2.45 5.08 -0.94 -1.55 114.58 121.54 1lga h GLU 40 Ca 0.12 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1lga h GLU 40 Cb 0.60 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1lga h GLU 40 CO 0.04 0.93 -0.55 0.77 -1.00 0.00 0.00 179.01 179.20 1lga h SER 41 N 1.20 0.00 -0.01 1.42 0.02 -0.84 -1.30 113.55 114.05 1lga h SER 41 Ca 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1lga h SER 41 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1lga h SER 41 CO -0.04 0.55 -0.01 0.40 -1.14 0.00 0.00 176.83 176.59 1lga h ILE 42 N 0.00 1.39 -0.93 3.27 2.04 -1.10 -3.03 117.51 119.15 1lga h ILE 42 Ca -0.01 -1.16 0.13 0.00 1.00 0.00 0.00 64.86 64.82 1lga h ILE 42 Cb 0.99 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 39.14 1lga h ILE 42 CO 0.07 0.31 0.55 -0.09 0.00 0.00 0.00 178.15 178.98 1lga h ARG 43 N -0.45 0.80 -0.56 2.37 2.43 -1.17 -2.48 114.38 115.32 1lga h ARG 43 Ca 0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1lga h ARG 43 Cb 0.50 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1lga h ARG 43 CO 0.00 0.53 0.37 1.25 -1.51 0.00 0.00 179.97 180.62 1lga h LEU 44 N 0.83 0.59 -0.27 3.80 5.85 -1.11 -2.26 115.31 122.73 1lga h LEU 44 Ca 0.48 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.24 1lga h LEU 44 Cb 0.56 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1lga h LEU 44 CO -0.30 0.41 -0.03 0.58 -0.34 0.00 0.00 178.44 178.75 1lga h VAL 45 N 0.68 0.77 -0.22 1.05 2.07 -1.42 0.21 116.25 119.40 1lga h VAL 45 Ca 0.22 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1lga h VAL 45 Cb 0.04 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1lga h VAL 45 CO -0.06 0.01 0.13 0.15 0.02 0.00 0.00 177.57 177.83 1lga h PHE 46 N 0.04 0.25 0.00 1.57 3.57 -1.50 -0.23 116.94 120.64 1lga h PHE 46 Ca 0.13 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1lga h PHE 46 Cb 0.18 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1lga h PHE 46 CO -0.24 0.16 -0.19 0.45 -2.23 0.00 0.00 178.31 176.26 1lga h HIS 47 N 0.28 0.00 0.19 0.41 3.86 -1.14 -0.70 115.15 118.05 1lga h HIS 47 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1lga h HIS 47 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1lga h HIS 47 CO -0.07 0.19 -0.09 0.22 0.86 0.00 0.00 177.93 179.04 1lga h ASP 48 N 0.00 -0.22 -0.20 2.45 3.58 -0.44 -3.41 116.42 118.19 1lga h ASP 48 Ca -0.00 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.28 1lga h ASP 48 Cb 0.79 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1lga h ASP 48 CO 0.02 0.32 0.09 0.28 -2.88 0.00 0.00 179.24 177.07 1lga h SER 49 N -1.01 0.12 0.51 2.28 0.02 -0.92 -3.29 113.55 111.28 1lga h SER 49 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lga h SER 49 Cb 0.39 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1lga h SER 49 CO 0.04 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1lga n ILE 50 N -5.02 0.91 -2.37 3.27 0.13 -0.28 -4.02 119.36 111.99 1lga n ILE 50 Ca -0.03 0.23 -0.43 0.00 -1.10 0.00 0.00 62.75 61.42 1lga n ILE 50 Cb 0.06 -0.96 0.00 0.00 -0.84 0.00 0.00 39.64 37.90 1lga n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1lga n ALA 51 N -1.48 4.66 -3.24 1.51 0.00 -1.24 -4.78 120.51 115.93 1lga n ALA 51 Ca 0.04 -4.08 -0.13 0.00 0.00 0.00 0.00 53.44 49.27 1lga n ALA 51 Cb 0.18 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.23 1lga n ALA 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1lga s ILE 52 N 2.29 0.01 -0.38 0.00 2.07 -1.20 -1.98 121.20 122.01 1lga s ILE 52 Ca 0.46 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.63 1lga s ILE 52 Cb 0.07 -0.52 0.17 0.00 0.13 0.00 0.00 42.46 42.30 1lga s ILE 52 CO -0.00 -0.06 0.47 -0.55 -1.91 0.00 0.00 174.94 172.89 1lga s SER 53 N -0.18 0.11 0.26 4.50 0.15 -0.98 -4.29 113.70 113.28 1lga s SER 53 Ca -0.03 -1.23 -0.01 0.00 0.70 0.00 0.00 55.95 55.38 1lga s SER 53 Cb -0.03 1.11 0.56 0.00 -1.71 0.00 0.00 66.02 65.96 1lga s SER 53 CO 0.01 -0.23 1.73 -0.65 1.20 0.00 0.00 173.24 175.30 1lga h PRO 54 N 7.08 0.47 -0.53 5.44 0.11 -1.87 -0.16 132.00 142.54 1lga h PRO 54 Ca 0.05 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.23 1lga h PRO 54 Cb 1.10 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 1lga h PRO 54 CO 0.16 0.31 -0.04 0.00 -0.21 0.00 0.00 178.00 178.22 1lga h ALA 55 N 1.60 0.46 -0.43 -0.75 0.00 -1.94 -0.49 119.26 117.71 1lga h ALA 55 Ca 0.47 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 1lga h ALA 55 Cb 0.77 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1lga h ALA 55 CO -0.43 -0.41 -0.18 1.98 0.00 0.00 0.00 179.25 180.21 1lga h MET 56 N 0.08 0.84 -1.00 0.00 -1.53 -1.45 -2.51 114.93 109.36 1lga h MET 56 Ca 0.27 -0.32 0.10 0.00 -3.44 0.00 0.00 59.70 56.30 1lga h MET 56 Cb 0.41 -0.05 -0.08 0.00 -0.55 0.00 0.00 31.60 31.34 1lga h MET 56 CO -0.48 0.95 0.64 0.93 0.14 0.00 0.00 176.91 179.10 1lga h GLU 57 N 0.74 1.02 0.00 0.39 4.39 0.43 0.17 114.58 121.72 1lga h GLU 57 Ca 0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1lga h GLU 57 Cb 0.71 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1lga h GLU 57 CO 0.05 0.68 0.00 0.00 -1.16 0.00 0.00 179.01 178.58 1lga n ALA 58 N -2.35 1.69 -1.21 3.43 0.00 -0.46 -3.80 120.51 117.81 1lga n ALA 58 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1lga n ALA 58 Cb 0.30 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1lga n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lga n LYS 59 N -1.92 0.00 -1.55 0.00 4.76 -0.10 -4.88 118.16 114.46 1lga n LYS 59 Ca 0.03 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.10 1lga n LYS 59 Cb 0.21 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.46 1lga n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lga n GLY 60 N 3.24 5.68 4.42 0.72 0.00 -0.59 -5.01 105.19 113.65 1lga n GLY 60 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1lga n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lga n LYS 61 N -0.72 0.00 -1.52 1.61 4.76 -0.35 -4.71 118.16 117.24 1lga n LYS 61 Ca 0.59 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.62 1lga n LYS 61 Cb 0.49 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.61 1lga n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1lga n PHE 62 N 4.30 1.21 1.38 2.13 7.35 -1.26 -1.84 117.46 130.72 1lga n PHE 62 Ca 0.00 0.22 0.06 0.00 -0.76 0.00 0.00 57.45 56.97 1lga n PHE 62 Cb 0.00 -2.54 0.22 0.00 0.35 0.00 0.00 39.48 37.51 1lga n PHE 62 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1lga n GLY 63 N 6.25 -0.06 0.00 7.13 0.00 -1.26 -4.61 105.19 112.65 1lga n GLY 63 Ca 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1lga n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 64 N 0.91 0.92 0.11 -0.02 0.00 -1.26 -2.31 105.19 103.54 1lga n GLY 64 Ca 0.10 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.29 1lga n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 65 N 1.34 4.41 7.00 -0.02 0.00 -1.14 -4.47 105.19 112.31 1lga n GLY 65 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1lga n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 66 N -1.28 2.19 2.90 -0.02 0.00 -0.84 -4.23 105.19 103.91 1lga n GLY 66 Ca 0.14 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1lga n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga n ALA 67 N 10.38 4.86 -0.19 4.61 0.00 -0.43 -3.98 120.51 135.77 1lga n ALA 67 Ca 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1lga n ALA 67 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 1lga n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1lga n ASP 68 N 6.76 1.21 -0.25 0.00 5.68 -1.26 -4.87 116.55 123.82 1lga n ASP 68 Ca 0.51 -1.40 -0.03 0.00 -0.50 0.00 0.00 54.79 53.37 1lga n ASP 68 Cb 0.40 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 1lga n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lga n GLY 69 N -0.20 0.62 0.23 6.12 0.00 -1.26 -1.55 105.19 109.14 1lga n GLY 69 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1lga n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lga h SER 70 N 0.00 0.14 0.95 1.61 4.64 -1.90 -0.20 113.55 118.79 1lga h SER 70 Ca -0.07 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1lga h SER 70 Cb 0.38 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1lga h SER 70 CO 0.10 0.36 -0.15 -0.29 -0.87 0.00 0.00 176.83 175.98 1lga h ILE 71 N 0.14 0.38 0.00 0.95 2.10 -1.89 0.13 117.51 119.31 1lga h ILE 71 Ca 0.03 -0.91 -0.19 0.00 1.08 0.00 0.00 64.86 64.86 1lga h ILE 71 Cb 0.44 1.67 -0.03 0.00 -1.09 0.00 0.00 36.82 37.81 1lga h ILE 71 CO 0.03 0.15 -1.15 0.80 -1.08 0.00 0.00 178.15 176.90 1lga n MET 72 N -3.31 0.54 -0.32 2.19 1.56 -0.26 -3.09 117.12 114.43 1lga n MET 72 Ca 0.00 0.56 0.10 0.00 -0.27 0.00 0.00 57.70 58.09 1lga n MET 72 Cb 0.39 -1.73 0.27 0.00 2.15 0.00 0.00 33.22 34.29 1lga n MET 72 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1lga h ILE 73 N -1.00 0.72 -1.82 1.12 2.04 -1.07 -2.74 117.51 114.77 1lga h ILE 73 Ca -0.29 -0.24 -0.56 0.00 1.00 0.00 0.00 64.86 64.77 1lga h ILE 73 Cb 1.16 -0.04 -0.42 0.00 -0.74 0.00 0.00 36.82 36.79 1lga h ILE 73 CO -0.18 0.13 -0.77 0.49 0.00 0.00 0.00 178.15 177.82 1lga n PHE 74 N -4.82 3.23 0.05 1.37 3.72 0.43 -4.84 117.46 116.60 1lga n PHE 74 Ca 0.20 -3.49 -0.02 0.00 -0.05 0.00 0.00 57.45 54.08 1lga n PHE 74 Cb 0.49 -0.29 0.24 0.00 -0.94 0.00 0.00 39.48 38.98 1lga n PHE 74 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1lga h ASP 75 N 2.81 0.39 -0.59 4.37 2.03 -1.42 0.53 116.42 124.54 1lga h ASP 75 Ca 0.18 -0.13 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 1lga h ASP 75 Cb 0.78 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 39.15 1lga h ASP 75 CO 0.78 0.65 0.16 0.74 -1.03 0.00 0.00 179.24 180.54 1lga h THR 76 N 0.35 1.25 0.46 1.15 2.02 -1.88 -1.88 112.91 114.38 1lga h THR 76 Ca 0.05 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1lga h THR 76 Cb 0.64 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1lga h THR 76 CO 0.05 0.33 -0.22 0.40 0.37 0.00 0.00 175.52 176.44 1lga h ILE 77 N 0.85 0.00 -0.57 3.11 2.04 -1.86 -3.35 117.51 117.72 1lga h ILE 77 Ca 0.19 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 1lga h ILE 77 Cb 0.33 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1lga h ILE 77 CO -0.00 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.75 1lga h GLU 78 N -1.13 1.06 0.00 2.37 5.08 -0.90 -3.02 114.58 118.04 1lga h GLU 78 Ca -0.06 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1lga h GLU 78 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1lga h GLU 78 CO 0.10 1.07 0.00 0.25 -1.00 0.00 0.00 179.01 179.43 1lga n THR 79 N -4.16 0.04 1.17 1.13 -2.24 -0.71 -1.60 114.28 107.92 1lga n THR 79 Ca 0.02 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1lga n THR 79 Cb 0.38 -0.58 0.41 0.00 -2.10 0.00 0.00 70.33 68.44 1lga n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lga n ALA 80 N -1.07 3.10 -2.10 6.98 0.00 -1.14 -4.50 120.51 121.79 1lga n ALA 80 Ca 0.18 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1lga n ALA 80 Cb 0.12 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1lga n ALA 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1lga s PHE 81 N -2.71 3.42 0.25 0.00 0.08 -0.63 -4.94 117.98 113.45 1lga s PHE 81 Ca 0.20 1.39 -0.04 0.00 0.12 0.00 0.00 56.93 58.59 1lga s PHE 81 Cb 0.19 -3.44 0.37 0.00 -0.57 0.00 0.00 43.02 39.57 1lga s PHE 81 CO 0.57 -1.26 1.84 1.25 -0.10 0.00 0.00 175.22 177.52 1lga h HIS 82 N 5.47 0.97 0.00 0.36 2.76 -1.88 0.20 115.15 123.03 1lga h HIS 82 Ca -0.44 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1lga h HIS 82 Cb 1.21 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.86 1lga h HIS 82 CO 0.63 0.46 0.00 -0.35 -1.30 0.00 0.00 177.93 177.37 1lga n PRO 83 N -4.65 0.10 -0.58 5.26 -0.04 -1.26 -1.95 135.00 131.88 1lga n PRO 83 Ca 0.13 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1lga n PRO 83 Cb 0.22 -1.78 0.33 0.00 -0.04 0.00 0.00 33.50 32.22 1lga n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lga n ASN 84 N -1.98 4.58 -4.61 3.54 3.02 0.05 -4.99 115.26 114.88 1lga n ASN 84 Ca -0.00 -2.53 -0.49 0.00 -0.03 0.00 0.00 54.58 51.53 1lga n ASN 84 Cb 0.05 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 1lga n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lga n ILE 85 N 0.80 0.45 0.00 2.41 3.06 -0.82 -1.45 119.36 123.80 1lga n ILE 85 Ca 0.24 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 1lga n ILE 85 Cb 0.88 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 40.04 1lga n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1lga n GLY 86 N 2.42 2.30 0.03 4.50 0.00 -1.26 -4.89 105.19 108.29 1lga n GLY 86 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1lga n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lga n LEU 87 N 0.00 0.25 -0.16 0.99 4.77 -0.53 -3.16 117.00 119.16 1lga n LEU 87 Ca 0.00 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1lga n LEU 87 Cb 0.00 -0.43 0.46 0.00 -2.33 0.00 0.00 43.42 41.12 1lga n LEU 87 CO 0.00 -0.03 1.21 -2.24 -1.33 0.00 0.00 177.39 174.99 1lga h ASP 88 N 0.00 0.47 0.25 -1.43 2.03 -1.82 -0.73 116.42 115.19 1lga h ASP 88 Ca 0.00 0.02 -0.21 0.00 -0.73 0.00 0.00 57.03 56.10 1lga h ASP 88 Cb 0.56 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1lga h ASP 88 CO 0.00 0.27 -0.86 -0.33 -1.03 0.00 0.00 179.24 177.29 1lga h GLU 89 N 0.52 0.46 -0.20 4.15 4.39 -1.85 -0.51 114.58 121.54 1lga h GLU 89 Ca 0.34 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1lga h GLU 89 Cb 0.63 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1lga h GLU 89 CO -0.12 1.09 -0.17 0.28 -1.16 0.00 0.00 179.01 178.93 1lga h VAL 90 N 0.28 1.33 -0.29 3.13 2.07 -1.56 -1.57 116.25 119.64 1lga h VAL 90 Ca -0.06 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1lga h VAL 90 Cb 1.48 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1lga h VAL 90 CO 0.15 0.40 0.04 0.58 0.02 0.00 0.00 177.57 178.76 1lga h VAL 91 N 0.14 1.24 -0.67 2.57 2.07 -1.10 -2.25 116.25 118.24 1lga h VAL 91 Ca 0.03 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 66.87 1lga h VAL 91 Cb 0.71 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 1lga h VAL 91 CO 0.04 0.27 0.15 0.00 0.02 0.00 0.00 177.57 178.06 1lga h ALA 92 N 0.87 0.83 -0.48 1.67 0.00 -0.96 -0.35 119.26 120.84 1lga h ALA 92 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1lga h ALA 92 Cb 0.35 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1lga h ALA 92 CO 0.01 -0.31 0.25 1.98 0.00 0.00 0.00 179.25 181.17 1lga h MET 93 N 0.27 0.68 0.01 0.00 -1.53 -1.11 -3.28 114.93 109.97 1lga h MET 93 Ca 0.37 -0.09 -0.20 0.00 -3.44 0.00 0.00 59.70 56.33 1lga h MET 93 Cb 0.58 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.49 1lga h MET 93 CO -0.46 0.56 -0.90 1.96 0.14 0.00 0.00 176.91 178.21 1lga h GLN 94 N 0.64 0.20 -0.99 0.39 4.20 -0.73 -3.36 115.11 115.46 1lga h GLN 94 Ca 0.17 -0.23 0.17 0.00 0.06 0.00 0.00 58.65 58.81 1lga h GLN 94 Cb 0.09 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 1lga h GLN 94 CO -0.02 0.98 0.60 -0.22 -0.67 0.00 0.00 178.83 179.49 1lga h LYS 95 N 0.11 0.79 -0.76 1.46 3.64 -1.16 -1.47 116.57 119.18 1lga h LYS 95 Ca -0.05 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1lga h LYS 95 Cb 1.54 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1lga h LYS 95 CO 0.14 0.52 0.50 -1.35 -2.27 0.00 0.00 179.45 176.99 1lga h PRO 96 N 0.81 0.86 -0.13 1.90 0.11 -1.75 -1.50 132.00 132.30 1lga h PRO 96 Ca 0.55 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.47 1lga h PRO 96 Cb 0.77 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1lga h PRO 96 CO -0.35 0.57 -0.51 0.74 -0.21 0.00 0.00 178.00 178.23 1lga h PHE 97 N 0.88 0.45 -0.35 0.65 -1.00 -1.52 -0.65 116.94 115.41 1lga h PHE 97 Ca 0.32 -0.15 -0.14 0.00 2.81 0.00 0.00 57.97 60.81 1lga h PHE 97 Cb 0.14 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1lga h PHE 97 CO -0.00 0.80 -0.33 0.28 -1.61 0.00 0.00 178.31 177.45 1lga h VAL 98 N 0.29 1.28 -0.27 -0.55 2.07 -1.43 -2.09 116.25 115.55 1lga h VAL 98 Ca 0.01 -1.50 -0.19 0.00 0.82 0.00 0.00 66.70 65.84 1lga h VAL 98 Cb 1.00 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1lga h VAL 98 CO 0.09 0.49 -0.58 1.56 0.02 0.00 0.00 177.57 179.15 1lga h GLN 99 N 0.62 0.85 0.06 1.57 4.20 -0.70 -1.99 115.11 119.73 1lga h GLN 99 Ca 0.06 -0.56 -0.25 0.00 0.06 0.00 0.00 58.65 57.96 1lga h GLN 99 Cb 0.92 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1lga h GLN 99 CO 0.08 1.19 -1.19 0.87 -0.67 0.00 0.00 178.83 179.11 1lga h LYS 100 N 0.64 0.14 0.00 1.46 1.57 -1.17 -3.29 116.57 115.92 1lga h LYS 100 Ca 0.01 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1lga h LYS 100 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1lga h LYS 100 CO 0.13 1.08 -0.36 0.72 -0.57 0.00 0.00 179.45 180.45 1lga n HIS 101 N -3.42 0.21 -3.49 -1.35 8.25 -0.79 -4.95 115.22 109.67 1lga n HIS 101 Ca -0.06 0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 1lga n HIS 101 Cb 0.99 -0.47 0.07 0.00 1.12 0.00 0.00 29.99 31.71 1lga n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lga n GLY 102 N 1.45 -0.41 3.93 -1.41 0.00 -0.75 -5.03 105.19 102.97 1lga n GLY 102 Ca 0.05 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1lga n GLY 102 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lga s VAL 103 N -3.29 3.88 0.45 1.61 -7.23 -1.23 -5.09 120.40 109.49 1lga s VAL 103 Ca 0.51 -1.15 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 1lga s VAL 103 Cb -0.23 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.29 1lga s VAL 103 CO 0.66 -0.17 0.95 0.42 -0.31 0.00 0.00 175.10 176.66 1lga s THR 104 N -2.22 4.43 0.29 5.32 -4.23 -1.26 -4.87 115.64 113.09 1lga s THR 104 Ca 0.43 1.41 0.04 0.00 -1.18 0.00 0.00 61.69 62.39 1lga s THR 104 Cb -0.08 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.42 1lga s THR 104 CO 0.29 -0.41 1.79 -0.65 -0.54 0.00 0.00 174.62 175.10 1lga h PRO 105 N 1.67 0.78 -0.17 3.99 0.11 -1.89 -1.85 132.00 134.63 1lga h PRO 105 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1lga h PRO 105 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1lga h PRO 105 CO 0.61 0.51 0.10 0.78 -0.21 0.00 0.00 178.00 179.80 1lga h GLY 106 N 0.80 0.25 1.29 -0.55 0.00 -1.82 -1.05 103.07 101.99 1lga h GLY 106 Ca 0.54 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.61 1lga h GLY 106 CO -0.35 0.10 -0.40 -0.55 0.00 0.00 0.00 176.54 175.34 1lga h ASP 107 N 0.19 0.83 -0.08 0.19 3.32 -1.70 -2.03 116.42 117.14 1lga h ASP 107 Ca 0.06 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1lga h ASP 107 Cb 0.04 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1lga h ASP 107 CO -0.01 1.12 0.04 0.15 -1.72 0.00 0.00 179.24 178.83 1lga h PHE 108 N 0.63 0.11 -0.52 4.55 3.57 -1.28 0.16 116.94 124.16 1lga h PHE 108 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1lga h PHE 108 Cb 0.96 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 1lga h PHE 108 CO 0.05 0.15 0.17 0.82 -2.23 0.00 0.00 178.31 177.27 1lga h ILE 109 N 0.04 0.79 -0.66 1.41 2.04 -1.05 0.24 117.51 120.32 1lga h ILE 109 Ca 0.03 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1lga h ILE 109 Cb 0.08 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1lga h ILE 109 CO -0.00 0.06 0.41 0.00 0.00 0.00 0.00 178.15 178.62 1lga h ALA 110 N 1.36 0.86 0.00 1.87 0.00 -1.19 -1.86 119.26 120.30 1lga h ALA 110 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lga h ALA 110 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lga h ALA 110 CO -0.27 0.18 -0.00 0.35 0.00 0.00 0.00 179.25 179.50 1lga h PHE 111 N 0.81 -0.01 -0.42 0.00 3.57 0.54 -2.29 116.94 119.15 1lga h PHE 111 Ca 0.26 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1lga h PHE 111 Cb 0.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1lga h PHE 111 CO -0.05 0.18 -0.11 0.00 -2.23 0.00 0.00 178.31 176.11 1lga h ALA 112 N 0.80 1.02 -0.63 2.41 0.00 -0.49 -0.66 119.26 121.71 1lga h ALA 112 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1lga h ALA 112 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1lga h ALA 112 CO 0.00 0.59 0.06 0.78 0.00 0.00 0.00 179.25 180.68 1lga h GLY 113 N 0.97 1.15 0.95 0.00 0.00 -1.33 0.10 103.07 104.92 1lga h GLY 113 Ca 0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1lga h GLY 113 CO 0.04 0.74 0.16 0.00 0.00 0.00 0.00 176.54 177.47 1lga h ALA 114 N 1.06 0.56 -0.53 3.60 0.00 -1.00 -2.29 119.26 120.66 1lga h ALA 114 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1lga h ALA 114 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1lga h ALA 114 CO 0.02 0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.65 1lga h VAL 115 N 0.56 1.27 -0.34 0.00 2.07 -0.96 0.11 116.25 118.95 1lga h VAL 115 Ca 0.14 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1lga h VAL 115 Cb 0.22 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1lga h VAL 115 CO -0.01 0.44 0.22 0.00 0.02 0.00 0.00 177.57 178.24 1lga h ALA 116 N 0.92 0.43 -0.54 1.67 0.00 -0.92 -1.63 119.26 119.19 1lga h ALA 116 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1lga h ALA 116 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1lga h ALA 116 CO 0.05 -0.09 0.04 -0.07 0.00 0.00 0.00 179.25 179.17 1lga h LEU 117 N 0.45 0.91 -0.84 0.00 3.38 -1.08 -1.14 115.31 116.99 1lga h LEU 117 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1lga h LEU 117 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1lga h LEU 117 CO -0.03 0.97 0.05 -1.54 0.09 0.00 0.00 178.44 177.98 1lga n SER 118 N -4.31 0.33 0.08 -0.43 3.41 -0.00 -0.91 113.62 111.79 1lga n SER 118 Ca 0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1lga n SER 118 Cb 0.30 -0.66 0.23 0.00 -0.26 0.00 0.00 64.21 63.81 1lga n SER 118 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1lga h ASN 119 N 0.00 0.00 -3.61 4.04 2.35 -0.79 -3.39 115.58 114.17 1lga h ASN 119 Ca 0.00 -0.14 -0.62 0.00 -0.55 0.00 0.00 56.30 54.99 1lga h ASN 119 Cb 0.09 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.33 1lga h ASN 119 CO 0.00 0.07 -0.06 0.00 -1.65 0.00 0.00 177.43 175.79 1lga n PRO 121 N 5.49 1.93 -0.10 0.00 -0.02 -1.24 -1.82 135.00 139.24 1lga n PRO 121 Ca -0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1lga n PRO 121 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1lga n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lga n GLY 122 N 1.57 0.97 3.76 -1.23 0.00 -0.15 -0.38 105.19 109.73 1lga n GLY 122 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1lga n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lga s ALA 123 N -2.46 2.87 1.11 4.61 0.00 -0.75 -4.79 121.76 122.35 1lga s ALA 123 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1lga s ALA 123 Cb 0.00 -3.49 0.25 0.00 0.00 0.00 0.00 23.12 19.89 1lga s ALA 123 CO 0.00 -1.07 1.05 -1.25 0.00 0.00 0.00 175.76 174.49 1lga s PRO 124 N -2.83 -0.48 -0.35 0.00 0.04 -1.26 -4.77 135.00 125.35 1lga s PRO 124 Ca 0.68 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1lga s PRO 124 Cb -0.35 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1lga s PRO 124 CO 0.42 -3.45 1.17 -1.14 0.04 0.00 0.00 177.00 174.05 1lga s GLN 125 N -4.56 3.93 0.34 4.56 2.00 -1.26 -4.75 119.66 119.92 1lga s GLN 125 Ca 0.68 1.03 -0.12 0.00 -2.00 0.00 0.00 55.36 54.94 1lga s GLN 125 Cb -0.24 -3.83 -0.08 0.00 0.80 0.00 0.00 33.01 29.67 1lga s GLN 125 CO 0.63 -1.09 0.71 -1.64 -0.50 0.00 0.00 175.29 173.40 1lga s MET 126 N 4.02 3.88 0.30 1.67 -1.94 -1.26 -4.97 119.30 121.01 1lga s MET 126 Ca 0.50 0.52 0.06 0.00 -1.71 0.00 0.00 55.69 55.06 1lga s MET 126 Cb -0.13 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.24 1lga s MET 126 CO 0.22 0.12 0.38 -0.80 -0.01 0.00 0.00 175.02 174.92 1lga s ASN 127 N -2.62 5.86 -0.21 3.03 -0.87 -1.26 -4.84 114.94 114.02 1lga s ASN 127 Ca 0.52 -0.20 -0.09 0.00 -1.57 0.00 0.00 52.86 51.52 1lga s ASN 127 Cb -0.10 -1.34 0.09 0.00 -0.02 0.00 0.00 41.25 39.88 1lga s ASN 127 CO 0.23 -0.29 0.48 0.12 -2.57 0.00 0.00 177.10 175.07 1lga s PHE 128 N -2.15 -0.85 -0.01 2.20 5.36 -1.26 -4.84 117.98 116.43 1lga s PHE 128 Ca 0.40 1.64 0.08 0.00 -0.96 0.00 0.00 56.93 58.09 1lga s PHE 128 Cb -0.08 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 42.97 1lga s PHE 128 CO 0.29 -0.48 -0.24 -0.06 -1.46 0.00 0.00 175.22 173.27 1lga s PHE 129 N 2.22 2.40 0.41 10.12 0.40 -1.26 -0.49 117.98 131.78 1lga s PHE 129 Ca -0.05 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1lga s PHE 129 Cb -0.10 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1lga s PHE 129 CO -0.14 0.05 0.41 0.95 0.70 0.00 0.00 175.22 177.19 1lga s THR 130 N -0.69 2.89 0.00 0.64 -4.23 0.43 -4.88 115.64 109.80 1lga s THR 130 Ca 0.11 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1lga s THR 130 Cb -0.10 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1lga s THR 130 CO 0.00 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1lga n GLY 131 N -1.60 0.50 3.56 3.99 0.00 -1.26 -1.66 105.19 108.72 1lga n GLY 131 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1lga n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lga s ARG 132 N 0.00 3.60 0.55 1.61 0.52 -1.26 -4.96 118.95 119.01 1lga s ARG 132 Ca 0.00 0.08 -0.19 0.00 -0.52 0.00 0.00 55.73 55.10 1lga s ARG 132 Cb 0.00 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.56 1lga s ARG 132 CO 0.00 -0.91 1.12 0.15 0.02 0.00 0.00 175.30 175.68 1lga s LYS 133 N 3.03 3.34 0.33 3.54 1.02 -1.26 -4.53 119.74 125.21 1lga s LYS 133 Ca 0.29 1.58 -0.29 0.00 0.02 0.00 0.00 55.97 57.57 1lga s LYS 133 Cb -0.13 -2.01 -0.12 0.00 -0.52 0.00 0.00 37.83 35.05 1lga s LYS 133 CO 0.18 -0.85 1.39 -0.35 -0.92 0.00 0.00 175.35 174.80 1lga n PRO 134 N -1.37 2.32 -1.80 -1.68 -0.04 -1.26 -4.77 135.00 126.39 1lga n PRO 134 Ca 0.11 0.82 -0.39 0.00 -0.04 0.00 0.00 63.50 64.00 1lga n PRO 134 Cb 0.51 -2.47 0.03 0.00 -0.04 0.00 0.00 33.50 31.54 1lga n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lga s ALA 135 N -0.82 2.90 -1.66 0.55 0.00 -0.60 -4.93 121.76 117.21 1lga s ALA 135 Ca 0.58 1.34 0.18 0.00 0.00 0.00 0.00 51.96 54.06 1lga s ALA 135 Cb -0.55 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 1lga s ALA 135 CO 0.59 -1.32 0.93 0.25 0.00 0.00 0.00 175.76 176.21 1lga n THR 136 N -0.86 0.00 -3.81 0.00 -2.24 -1.26 -4.96 114.28 101.16 1lga n THR 136 Ca 0.09 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1lga n THR 136 Cb 0.44 1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 69.77 1lga n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1lga s GLN 137 N -2.08 0.24 0.67 -0.78 -0.21 -1.26 -5.15 119.66 111.09 1lga s GLN 137 Ca 0.15 0.24 -0.16 0.00 0.02 0.00 0.00 55.36 55.60 1lga s GLN 137 Cb 0.15 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1lga s GLN 137 CO 0.46 -0.03 1.18 -1.25 -2.12 0.00 0.00 175.29 173.52 1lga s PRO 138 N 0.02 2.60 0.41 2.91 0.04 -1.26 -4.85 135.00 134.87 1lga s PRO 138 Ca -0.01 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1lga s PRO 138 Cb -0.02 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1lga s PRO 138 CO 0.00 -1.46 1.16 0.00 0.04 0.00 0.00 177.00 176.74 1lga s ALA 139 N -1.96 3.11 0.83 8.56 0.00 -1.26 -4.78 121.76 126.26 1lga s ALA 139 Ca 0.73 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.52 1lga s ALA 139 Cb -0.27 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.58 1lga s ALA 139 CO 0.40 -0.52 1.13 -1.25 0.00 0.00 0.00 175.76 175.52 1lga s PRO 140 N -2.40 1.66 0.76 0.00 0.04 -1.26 -4.86 135.00 128.94 1lga s PRO 140 Ca 0.58 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1lga s PRO 140 Cb -0.29 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1lga s PRO 140 CO 0.37 -2.13 1.14 0.34 0.04 0.00 0.00 177.00 176.75 1lga s ASP 141 N -2.89 4.90 0.00 6.66 2.15 -1.26 -4.35 116.67 121.88 1lga s ASP 141 Ca 0.65 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1lga s ASP 141 Cb -0.21 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1lga s ASP 141 CO 0.55 -1.67 0.00 0.61 -0.17 0.00 0.00 175.17 174.50 1lga n GLY 142 N -3.18 0.63 0.00 2.66 0.00 -1.26 -4.95 105.19 99.10 1lga n GLY 142 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1lga n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lga n LEU 143 N 0.00 0.44 -4.60 0.99 4.77 -1.26 -4.89 117.00 112.46 1lga n LEU 143 Ca 0.00 -0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.37 1lga n LEU 143 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1lga n LEU 143 CO 0.00 0.11 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.26 1lga s VAL 144 N -3.05 4.94 0.59 4.08 1.01 -1.26 -4.67 120.40 122.04 1lga s VAL 144 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 1lga s VAL 144 Cb 0.13 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1lga s VAL 144 CO 0.78 0.37 1.06 -2.65 0.00 0.00 0.00 175.10 174.66 1lga n PRO 145 N 4.28 1.04 -3.95 2.72 -0.02 -1.26 -4.77 135.00 133.03 1lga n PRO 145 Ca -0.16 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.42 1lga n PRO 145 Cb 0.52 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1lga n PRO 145 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1lga s GLU 146 N -2.82 3.30 0.00 -0.52 0.41 -1.26 -4.86 118.70 112.96 1lga s GLU 146 Ca 0.76 -0.51 0.04 0.00 -0.41 0.00 0.00 54.97 54.85 1lga s GLU 146 Cb -0.42 -2.96 0.17 0.00 -1.78 0.00 0.00 34.13 29.14 1lga s GLU 146 CO 0.47 0.59 1.12 -0.35 -0.49 0.00 0.00 175.26 176.60 1lga n PRO 147 N 0.28 0.00 -0.43 0.39 -0.04 -1.26 -1.67 135.00 132.27 1lga n PRO 147 Ca -0.06 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1lga n PRO 147 Cb 0.51 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 1lga n PRO 147 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1lga n PHE 148 N -1.49 0.94 -1.97 0.54 1.16 -1.26 -2.38 117.46 113.01 1lga n PHE 148 Ca 0.01 -0.79 -0.30 0.00 -1.87 0.00 0.00 57.45 54.50 1lga n PHE 148 Cb 0.05 -0.27 0.01 0.00 -1.61 0.00 0.00 39.48 37.66 1lga n PHE 148 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1lga s HIS 149 N -2.44 3.58 0.50 2.97 3.76 -0.67 -5.04 115.29 117.96 1lga s HIS 149 Ca 0.40 1.19 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 1lga s HIS 149 Cb 0.30 -2.71 -0.06 0.00 1.11 0.00 0.00 32.58 31.22 1lga s HIS 149 CO 0.11 -0.70 0.91 0.95 -0.85 0.00 0.00 174.74 175.16 1lga s THR 150 N -3.15 4.69 0.26 1.30 -4.23 -1.26 -4.65 115.64 108.60 1lga s THR 150 Ca 0.54 0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 61.90 1lga s THR 150 Cb -0.11 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 70.20 1lga s THR 150 CO 0.53 -0.77 1.79 0.58 -0.54 0.00 0.00 174.62 176.21 1lga h VAL 151 N 0.61 0.81 -0.69 2.29 2.07 -1.96 -1.00 116.25 118.37 1lga h VAL 151 Ca -0.46 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 1lga h VAL 151 Cb 1.19 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1lga h VAL 151 CO 0.62 0.13 0.21 0.44 0.02 0.00 0.00 177.57 179.00 1lga h ASP 152 N 0.73 0.99 -0.59 0.57 3.32 -1.99 -1.92 116.42 117.52 1lga h ASP 152 Ca 0.45 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1lga h ASP 152 Cb 0.55 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1lga h ASP 152 CO -0.31 0.92 0.17 1.56 -1.72 0.00 0.00 179.24 179.86 1lga h GLN 153 N 1.02 0.93 -0.16 3.56 4.20 -1.59 -1.93 115.11 121.13 1lga h GLN 153 Ca 0.22 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1lga h GLN 153 Cb 0.29 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1lga h GLN 153 CO -0.01 0.85 -0.16 0.82 -0.67 0.00 0.00 178.83 179.66 1lga h ILE 154 N 0.85 1.34 -0.70 2.54 1.08 -1.18 -1.18 117.51 120.25 1lga h ILE 154 Ca 0.19 -1.32 0.07 0.00 -0.39 0.00 0.00 64.86 63.41 1lga h ILE 154 Cb 0.32 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.84 1lga h ILE 154 CO -0.00 0.39 0.39 0.40 -0.69 0.00 0.00 178.15 178.64 1lga h ILE 155 N 0.04 0.94 -0.41 -0.67 2.04 -1.32 -1.13 117.51 117.01 1lga h ILE 155 Ca 0.03 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1lga h ILE 155 Cb 0.70 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1lga h ILE 155 CO 0.04 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.34 1lga h ALA 156 N 1.38 0.55 -0.05 1.87 0.00 -1.33 -1.87 119.26 119.81 1lga h ALA 156 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lga h ALA 156 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lga h ALA 156 CO -0.21 0.31 0.03 -0.09 0.00 0.00 0.00 179.25 179.29 1lga h ARG 157 N 0.54 0.07 -0.35 0.00 9.65 -0.57 -0.50 114.38 123.21 1lga h ARG 157 Ca 0.12 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1lga h ARG 157 Cb 0.45 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1lga h ARG 157 CO 0.02 0.11 -0.03 0.28 2.80 0.00 0.00 179.97 183.14 1lga h VAL 158 N 0.01 1.21 -0.36 0.20 2.07 -1.22 -0.20 116.25 117.97 1lga h VAL 158 Ca 0.02 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.52 1lga h VAL 158 Cb 0.06 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1lga h VAL 158 CO -0.00 0.30 -0.31 -1.13 0.02 0.00 0.00 177.57 176.45 1lga h ASN 159 N 0.54 0.81 -0.02 0.57 -0.73 -0.92 -2.21 115.58 113.62 1lga h ASN 159 Ca 0.11 -0.33 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1lga h ASN 159 Cb 0.40 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1lga h ASN 159 CO 0.02 1.06 -0.03 -0.78 -0.37 0.00 0.00 177.43 177.32 1lga h ASP 160 N 0.66 0.06 0.09 1.15 3.58 -0.71 0.18 116.42 121.43 1lga h ASP 160 Ca 0.07 -0.56 0.02 0.00 0.42 0.00 0.00 57.03 56.99 1lga h ASP 160 Cb 0.85 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 1lga h ASP 160 CO 0.07 0.61 -0.30 0.00 -2.88 0.00 0.00 179.24 176.74 1lga h ALA 161 N 0.46 -0.49 0.00 -0.78 0.00 -0.91 -3.38 119.26 114.17 1lga h ALA 161 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1lga h ALA 161 Cb 0.60 0.50 -0.22 0.00 0.00 0.00 0.00 17.79 18.66 1lga h ALA 161 CO 0.01 -0.83 -0.78 0.41 0.00 0.00 0.00 179.25 178.06 1lga n GLY 162 N -1.40 0.78 2.62 0.00 0.00 -0.84 -4.77 105.19 101.58 1lga n GLY 162 Ca -0.06 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1lga n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lga n GLU 163 N 0.27 -2.88 -2.84 1.61 1.02 0.05 -4.97 120.64 112.91 1lga n GLU 163 Ca 0.03 0.96 -0.39 0.00 -0.02 0.00 0.00 57.16 57.74 1lga n GLU 163 Cb 0.94 -5.69 -0.06 0.00 -0.02 0.00 0.00 31.44 26.62 1lga n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1lga s PHE 164 N -3.09 3.91 0.71 -0.32 0.08 -1.15 -4.93 117.98 113.19 1lga s PHE 164 Ca 0.11 1.79 -0.02 0.00 0.12 0.00 0.00 56.93 58.94 1lga s PHE 164 Cb -0.05 -2.89 0.12 0.00 -0.57 0.00 0.00 43.02 39.62 1lga s PHE 164 CO 0.14 0.44 0.99 0.16 -0.10 0.00 0.00 175.22 176.85 1lga s ASP 165 N -1.25 4.42 0.05 1.36 1.47 -1.26 -3.57 116.67 117.88 1lga s ASP 165 Ca 0.41 -0.22 0.17 0.00 1.18 0.00 0.00 52.55 54.09 1lga s ASP 165 Cb -0.24 -0.22 0.73 0.00 -0.34 0.00 0.00 42.92 42.86 1lga s ASP 165 CO 0.29 -1.81 1.55 -1.84 0.68 0.00 0.00 175.17 174.04 1lga n GLU 166 N -2.84 0.04 0.14 2.11 0.00 -1.26 -1.41 120.64 117.42 1lga n GLU 166 Ca 0.14 0.26 -0.23 0.00 0.00 0.00 0.00 57.16 57.32 1lga n GLU 166 Cb 0.60 -1.57 -0.15 0.00 0.00 0.00 0.00 31.44 30.32 1lga n GLU 166 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1lga h LEU 167 N 0.00 0.78 -0.87 -1.84 3.38 -1.94 -3.15 115.31 111.67 1lga h LEU 167 Ca 0.00 -0.82 -0.11 0.00 0.09 0.00 0.00 57.88 57.03 1lga h LEU 167 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1lga h LEU 167 CO 0.00 1.64 -0.37 -0.33 0.09 0.00 0.00 178.44 179.48 1lga h GLU 168 N 0.14 0.39 -0.39 1.13 5.08 -1.65 -1.75 114.58 117.53 1lga h GLU 168 Ca -0.23 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1lga h GLU 168 Cb 2.12 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.29 1lga h GLU 168 CO 0.26 0.70 -0.09 1.25 -1.00 0.00 0.00 179.01 180.13 1lga h LEU 169 N 0.33 -0.35 -0.98 1.33 6.46 -1.27 -1.17 115.31 119.65 1lga h LEU 169 Ca 0.04 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1lga h LEU 169 Cb 0.80 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1lga h LEU 169 CO 0.06 -0.12 0.65 0.58 -0.62 0.00 0.00 178.44 178.99 1lga h VAL 170 N 0.01 1.20 -0.09 1.05 2.07 -1.30 -2.63 116.25 116.57 1lga h VAL 170 Ca 0.19 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1lga h VAL 170 Cb 0.29 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1lga h VAL 170 CO -0.40 0.23 0.04 -0.50 0.02 0.00 0.00 177.57 176.96 1lga h TRP 171 N 1.28 0.13 0.00 1.57 6.55 -0.62 -2.71 115.95 122.15 1lga h TRP 171 Ca 0.38 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 60.18 1lga h TRP 171 Cb -0.06 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 1lga h TRP 171 CO -0.00 0.21 -0.17 0.00 -1.05 0.00 0.00 178.44 177.42 1lga h MET 172 N 0.01 0.00 0.00 0.49 -0.00 -1.14 -1.45 114.93 112.84 1lga h MET 172 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1lga h MET 172 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 1lga h MET 172 CO -0.00 0.17 0.00 1.28 -0.00 0.00 0.00 176.91 178.36 1lga n LEU 173 N -3.71 0.00 0.05 -0.10 4.77 -1.00 -1.96 117.00 115.04 1lga n LEU 173 Ca -0.02 0.34 0.19 0.00 -0.03 0.00 0.00 56.01 56.49 1lga n LEU 173 Cb 0.29 -0.34 0.71 0.00 -2.33 0.00 0.00 43.42 41.75 1lga n LEU 173 CO 0.32 -0.16 1.17 0.28 -1.33 0.00 0.00 177.39 177.67 1lga h SER 174 N 0.00 0.00 -0.00 -1.43 0.02 -1.20 -1.10 113.55 109.83 1lga h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lga h SER 174 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1lga h SER 174 CO 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 175.73 1lga h ALA 175 N 1.72 1.06 0.00 3.77 0.00 -1.61 -0.76 119.26 123.44 1lga h ALA 175 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lga h ALA 175 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1lga h ALA 175 CO -0.00 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.93 1lga n HIS 176 N -3.09 0.00 0.41 0.00 -0.00 -0.42 -2.29 115.22 109.83 1lga n HIS 176 Ca -0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.82 1lga n HIS 176 Cb 0.10 -0.08 0.50 0.00 -0.00 0.00 0.00 29.99 30.52 1lga n HIS 176 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1lga h SER 177 N 0.00 0.00 -2.12 0.41 0.87 -1.33 -3.36 113.55 108.03 1lga h SER 177 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1lga h SER 177 Cb 0.05 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.62 1lga h SER 177 CO 0.00 0.00 -1.05 1.33 -0.53 0.00 0.00 176.83 176.58 1lga n VAL 178 N -2.40 -0.73 -3.57 2.23 0.24 -0.97 -4.09 118.33 109.05 1lga n VAL 178 Ca 0.02 -3.89 -0.13 0.00 -2.04 0.00 0.00 64.34 58.30 1lga n VAL 178 Cb 0.28 -1.88 -0.06 0.00 -1.47 0.00 0.00 33.84 30.71 1lga n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lga s ALA 179 N -0.87 -1.88 0.07 2.33 0.00 -1.26 -4.67 121.76 115.49 1lga s ALA 179 Ca 0.34 1.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.85 1lga s ALA 179 Cb 0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1lga s ALA 179 CO -0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 175.76 175.28 1lga s ALA 180 N -0.94 0.65 -0.10 0.00 0.00 -1.26 -1.63 121.76 118.47 1lga s ALA 180 Ca -0.04 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.68 1lga s ALA 180 Cb -0.01 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1lga s ALA 180 CO 0.04 -0.36 -0.20 0.14 0.00 0.00 0.00 175.76 175.38 1lga s VAL 181 N -3.87 2.47 -0.15 0.00 -7.23 0.03 -4.85 120.40 106.79 1lga s VAL 181 Ca 0.10 -0.88 0.18 0.00 -1.81 0.00 0.00 61.98 59.57 1lga s VAL 181 Cb 0.07 -1.97 -0.26 0.00 0.56 0.00 0.00 36.38 34.78 1lga s VAL 181 CO -0.08 0.55 0.16 0.59 -0.31 0.00 0.00 175.10 176.02 1lga n ASN 182 N 3.36 0.17 -0.04 4.85 3.02 -1.26 -0.69 115.26 124.67 1lga n ASN 182 Ca -0.18 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.37 1lga n ASN 182 Cb 0.53 1.22 0.01 0.00 -0.61 0.00 0.00 39.78 40.92 1lga n ASN 182 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1lga n ASP 183 N -2.61 1.24 0.03 6.41 8.00 -1.26 -4.42 116.55 123.94 1lga n ASP 183 Ca -0.25 -1.19 -0.19 0.00 0.71 0.00 0.00 54.79 53.87 1lga n ASP 183 Cb 1.00 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.95 1lga n ASP 183 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1lga h VAL 184 N 0.20 0.83 -3.71 2.53 2.07 -1.89 -3.43 116.25 112.85 1lga h VAL 184 Ca 0.00 -2.53 -0.67 0.00 0.82 0.00 0.00 66.70 64.33 1lga h VAL 184 Cb 0.12 2.59 -0.21 0.00 -1.52 0.00 0.00 31.29 32.28 1lga h VAL 184 CO 0.00 0.81 -0.54 -0.62 0.02 0.00 0.00 177.57 177.24 1lga s ASP 185 N -6.92 5.70 0.11 0.57 -1.08 -1.26 -4.69 116.67 109.10 1lga s ASP 185 Ca -0.15 -0.37 0.23 0.00 -0.52 0.00 0.00 52.55 51.74 1lga s ASP 185 Cb 0.07 -2.05 0.92 0.00 -1.46 0.00 0.00 42.92 40.40 1lga s ASP 185 CO 0.81 -0.16 1.73 -0.81 0.52 0.00 0.00 175.17 177.26 1lga n PRO 186 N 5.02 0.11 0.01 4.34 -0.04 -1.26 -2.92 135.00 140.25 1lga n PRO 186 Ca -0.14 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1lga n PRO 186 Cb 0.50 -1.66 0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1lga n PRO 186 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1lga n THR 187 N -1.86 0.05 -3.59 0.52 -2.24 -1.26 -4.96 114.28 100.94 1lga n THR 187 Ca 0.05 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 1lga n THR 187 Cb 0.30 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 1lga n THR 187 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lga s VAL 188 N -3.05 0.01 0.17 2.28 0.11 -1.15 -5.03 120.40 113.74 1lga s VAL 188 Ca 0.08 -0.11 0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1lga s VAL 188 Cb 0.16 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1lga s VAL 188 CO 0.76 -0.06 -0.24 -1.10 -3.33 0.00 0.00 175.10 171.13 1lga s GLN 189 N -1.00 1.51 0.00 1.54 -0.21 -1.26 -4.53 119.66 115.71 1lga s GLN 189 Ca -0.10 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.83 1lga s GLN 189 Cb -0.02 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1lga s GLN 189 CO 0.07 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 1lga n GLY 190 N 0.49 0.59 3.62 3.09 0.00 0.13 -4.67 105.19 108.43 1lga n GLY 190 Ca -0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1lga n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lga s LEU 191 N 0.00 4.03 0.54 0.99 1.43 -0.85 -1.30 118.68 123.52 1lga s LEU 191 Ca 0.00 0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 1lga s LEU 191 Cb 0.00 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 1lga s LEU 191 CO 0.00 -0.74 1.12 -2.84 0.23 0.00 0.00 176.35 174.12 1lga s PRO 192 N 3.26 3.37 0.32 1.29 0.02 -1.25 -0.79 135.00 141.21 1lga s PRO 192 Ca 0.37 1.57 0.14 0.00 0.02 0.00 0.00 61.00 63.10 1lga s PRO 192 Cb -0.13 -2.01 0.53 0.00 0.02 0.00 0.00 34.50 32.91 1lga s PRO 192 CO 0.15 -0.83 1.69 0.74 -0.33 0.00 0.00 177.00 178.41 1lga h PHE 193 N 1.16 0.00 -4.62 6.54 0.04 -1.53 -1.51 116.94 117.02 1lga h PHE 193 Ca -0.50 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.90 1lga h PHE 193 Cb 1.26 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.29 1lga h PHE 193 CO 0.52 0.49 -0.42 0.16 -0.60 0.00 0.00 178.31 178.46 1lga s ASP 194 N -6.69 1.20 0.01 2.17 1.47 -1.26 -4.76 116.67 108.81 1lga s ASP 194 Ca -0.01 -1.61 0.23 0.00 1.18 0.00 0.00 52.55 52.34 1lga s ASP 194 Cb 0.12 0.56 0.97 0.00 -0.34 0.00 0.00 42.92 44.22 1lga s ASP 194 CO 0.73 -1.09 1.73 -1.54 0.68 0.00 0.00 175.17 175.67 1lga n SER 195 N -1.28 0.02 -3.17 2.11 3.41 -1.26 -3.84 113.62 109.61 1lga n SER 195 Ca 0.05 0.50 -0.25 0.00 -0.26 0.00 0.00 58.87 58.91 1lga n SER 195 Cb 0.63 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1lga n SER 195 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lga n THR 196 N -1.52 1.60 0.23 6.66 -2.24 -1.26 -4.95 114.28 112.80 1lga n THR 196 Ca 0.05 -5.03 0.11 0.00 -2.27 0.00 0.00 64.05 56.92 1lga n THR 196 Cb 0.27 -1.45 0.56 0.00 -2.10 0.00 0.00 70.33 67.60 1lga n THR 196 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1lga n PRO 197 N 0.43 0.16 -0.34 -0.78 -0.04 -1.25 -1.50 135.00 131.68 1lga n PRO 197 Ca 0.28 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 1lga n PRO 197 Cb 0.47 -1.93 0.31 0.00 -0.04 0.00 0.00 33.50 32.31 1lga n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lga n GLY 198 N -0.91 2.34 3.11 0.55 0.00 -1.26 -3.99 105.19 105.02 1lga n GLY 198 Ca -0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1lga n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lga s ILE 199 N -1.10 1.68 -0.53 -0.61 1.01 -0.56 -3.72 121.20 117.37 1lga s ILE 199 Ca 0.48 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 60.12 1lga s ILE 199 Cb 0.25 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 41.26 1lga s ILE 199 CO 0.33 0.48 0.95 0.12 0.00 0.00 0.00 174.94 176.81 1lga s PHE 200 N 0.78 2.82 0.29 3.97 5.36 0.49 -4.55 117.98 127.13 1lga s PHE 200 Ca -0.10 0.11 -0.06 0.00 -0.96 0.00 0.00 56.93 55.91 1lga s PHE 200 Cb -0.16 -4.06 0.03 0.00 -0.34 0.00 0.00 43.02 38.49 1lga s PHE 200 CO 0.01 -1.29 0.49 -0.40 -1.46 0.00 0.00 175.22 172.57 1lga n ASP 201 N 7.42 -1.41 -1.21 6.13 5.75 -1.26 -4.39 116.55 127.57 1lga n ASP 201 Ca 0.03 -2.34 0.08 0.00 -0.01 0.00 0.00 54.79 52.55 1lga n ASP 201 Cb 0.48 2.45 0.27 0.00 -1.03 0.00 0.00 41.12 43.29 1lga n ASP 201 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1lga n SER 202 N -1.57 3.54 0.11 -1.12 7.64 -1.26 -4.39 113.62 116.57 1lga n SER 202 Ca -0.03 -2.22 0.12 0.00 1.01 0.00 0.00 58.87 57.75 1lga n SER 202 Cb 0.45 -0.46 0.61 0.00 -1.01 0.00 0.00 64.21 63.80 1lga n SER 202 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1lga h GLN 203 N 3.25 0.11 -0.86 1.43 1.08 -1.94 0.13 115.11 118.31 1lga h GLN 203 Ca 0.00 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1lga h GLN 203 Cb 1.03 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.37 1lga h GLN 203 CO 0.12 0.07 0.52 0.35 -0.95 0.00 0.00 178.83 178.94 1lga h PHE 204 N 0.11 0.95 0.00 2.96 3.57 -1.89 -1.43 116.94 121.22 1lga h PHE 204 Ca 0.12 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.46 1lga h PHE 204 Cb 0.35 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1lga h PHE 204 CO -0.00 0.45 -0.86 0.74 -2.23 0.00 0.00 178.31 176.41 1lga h PHE 205 N 0.92 0.24 -0.03 0.41 0.04 -1.12 -2.70 116.94 114.71 1lga h PHE 205 Ca 0.39 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 1lga h PHE 205 Cb 0.25 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1lga h PHE 205 CO -0.04 0.94 0.00 0.28 -0.60 0.00 0.00 178.31 178.90 1lga h VAL 206 N 0.09 1.20 0.00 -0.55 2.07 -1.16 -3.35 116.25 114.55 1lga h VAL 206 Ca -0.04 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1lga h VAL 206 Cb 1.49 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1lga h VAL 206 CO 0.13 0.16 -0.17 -0.33 0.02 0.00 0.00 177.57 177.38 1lga h GLU 207 N -0.20 0.00 0.00 1.57 5.08 -1.23 -2.47 114.58 117.33 1lga h GLU 207 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1lga h GLU 207 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1lga h GLU 207 CO 0.00 0.17 0.00 1.79 -1.00 0.00 0.00 179.01 179.97 1lga h THR 208 N 0.00 0.00 0.00 1.13 1.35 -1.64 -3.14 112.91 110.61 1lga h THR 208 Ca -0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1lga h THR 208 Cb 1.12 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1lga h THR 208 CO 0.02 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 176.96 1lga n GLN 209 N -2.67 0.15 -2.42 4.72 -0.06 -0.93 -4.85 117.38 111.32 1lga n GLN 209 Ca 0.04 0.15 -0.36 0.00 -2.00 0.00 0.00 57.00 54.83 1lga n GLN 209 Cb 0.41 -1.69 -0.02 0.00 -4.06 0.00 0.00 30.24 24.88 1lga n GLN 209 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1lga s PHE 210 N -3.07 3.01 0.35 3.69 0.08 -1.19 -0.84 117.98 120.01 1lga s PHE 210 Ca 0.11 1.58 -0.28 0.00 0.12 0.00 0.00 56.93 58.46 1lga s PHE 210 Cb 0.14 -3.22 -0.12 0.00 -0.57 0.00 0.00 43.02 39.26 1lga s PHE 210 CO 0.55 -1.06 1.40 -2.13 -0.10 0.00 0.00 175.22 173.87 1lga n ARG 211 N -0.53 2.39 -2.60 0.44 0.63 -0.09 -4.56 116.66 112.34 1lga n ARG 211 Ca 0.07 0.84 -0.42 0.00 -0.92 0.00 0.00 57.85 57.42 1lga n ARG 211 Cb 0.50 -2.50 -0.03 0.00 0.45 0.00 0.00 32.46 30.88 1lga n ARG 211 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1lga s GLY 212 N -0.15 2.21 -0.00 5.14 0.00 -1.26 -3.73 107.32 109.53 1lga s GLY 212 Ca 0.56 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.76 1lga s GLY 212 CO 0.61 2.05 0.06 -1.30 0.00 0.00 0.00 173.10 174.53 1lga n THR 213 N 4.63 0.00 -3.55 0.90 -2.24 0.74 -4.88 114.28 109.88 1lga n THR 213 Ca 0.10 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1lga n THR 213 Cb 0.48 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1lga n THR 213 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1lga s LEU 214 N -2.87 -0.19 0.03 3.22 0.05 -0.91 -4.99 118.68 113.02 1lga s LEU 214 Ca -0.00 0.19 -0.16 0.00 0.05 0.00 0.00 54.13 54.21 1lga s LEU 214 Cb 0.02 2.23 -0.06 0.00 -2.05 0.00 0.00 46.19 46.33 1lga s LEU 214 CO 0.10 -0.75 0.46 -0.36 -0.55 0.00 0.00 176.35 175.24 1lga s PHE 215 N -2.56 3.73 0.21 3.48 0.08 -1.26 -1.18 117.98 120.49 1lga s PHE 215 Ca -0.05 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.10 1lga s PHE 215 Cb -0.01 -2.34 0.17 0.00 -0.57 0.00 0.00 43.02 40.28 1lga s PHE 215 CO -0.03 0.61 1.50 -1.00 -0.10 0.00 0.00 175.22 176.21 1lga h PRO 216 N 4.53 0.24 0.00 0.24 0.13 -1.87 -3.46 132.00 131.80 1lga h PRO 216 Ca -0.51 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1lga h PRO 216 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1lga h PRO 216 CO 0.62 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.63 1lga n GLY 217 N 0.44 2.39 3.90 1.56 0.00 -1.26 -4.59 105.19 107.63 1lga n GLY 217 Ca -0.03 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1lga n GLY 217 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lga s SER 218 N 1.00 5.77 0.24 1.61 1.04 -1.26 -5.11 113.70 116.99 1lga s SER 218 Ca 0.00 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1lga s SER 218 Cb 0.00 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.21 1lga s SER 218 CO 0.00 -1.00 0.27 0.61 0.98 0.00 0.00 173.24 174.10 1lga n GLY 219 N -2.62 2.35 2.46 7.32 0.00 -1.26 -4.79 105.19 108.64 1lga n GLY 219 Ca 0.04 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1lga n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lga n GLY 220 N 2.15 -0.16 3.51 -0.02 0.00 -1.26 -5.01 105.19 104.40 1lga n GLY 220 Ca 0.04 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1lga n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lga s ASN 221 N -2.63 4.33 0.05 1.61 0.01 -1.26 -5.05 114.94 112.00 1lga s ASN 221 Ca 0.12 -0.13 -0.31 0.00 -0.71 0.00 0.00 52.86 51.83 1lga s ASN 221 Cb -0.05 -1.10 -0.07 0.00 0.41 0.00 0.00 41.25 40.44 1lga s ASN 221 CO 0.15 0.33 1.53 -1.58 -1.51 0.00 0.00 177.10 176.01 1lga s GLN 222 N -0.62 4.24 0.00 -0.60 0.74 -1.26 -2.38 119.66 119.78 1lga s GLN 222 Ca 0.09 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.67 1lga s GLN 222 Cb -0.11 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1lga s GLN 222 CO 0.01 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.53 1lga n GLY 223 N 3.80 0.51 3.51 2.59 0.00 -1.26 -4.92 105.19 109.42 1lga n GLY 223 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1lga n GLY 223 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lga s GLU 224 N -0.86 2.69 0.43 1.61 2.12 -1.00 -0.87 118.70 122.82 1lga s GLU 224 Ca 0.00 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1lga s GLU 224 Cb 0.00 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1lga s GLU 224 CO 0.00 0.60 0.08 0.14 -0.54 0.00 0.00 175.26 175.54 1lga s VAL 225 N -0.65 0.86 0.53 3.70 -7.23 -0.72 -4.73 120.40 112.16 1lga s VAL 225 Ca 0.10 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 1lga s VAL 225 Cb -0.11 -2.35 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1lga s VAL 225 CO 0.01 0.00 1.16 -1.61 -0.31 0.00 0.00 175.10 174.35 1lga s GLU 226 N -3.77 3.38 0.56 4.82 2.02 -1.26 -4.22 118.70 120.23 1lga s GLU 226 Ca 0.20 1.72 0.07 0.00 0.02 0.00 0.00 54.97 56.98 1lga s GLU 226 Cb 0.03 -2.11 0.06 0.00 0.10 0.00 0.00 34.13 32.22 1lga s GLU 226 CO 0.11 -0.85 0.58 -1.54 0.02 0.00 0.00 175.26 173.59 1lga s SER 227 N -1.60 4.83 -0.05 -0.19 1.04 -0.32 -4.53 113.70 112.87 1lga s SER 227 Ca 0.71 -1.09 0.20 0.00 0.48 0.00 0.00 55.95 56.25 1lga s SER 227 Cb -0.27 0.40 0.66 0.00 0.10 0.00 0.00 66.02 66.91 1lga s SER 227 CO 0.31 -1.23 1.56 0.61 0.98 0.00 0.00 173.24 175.47 1lga n GLY 228 N -1.99 2.68 2.84 7.32 0.00 -1.24 -0.19 105.19 114.60 1lga n GLY 228 Ca 0.06 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1lga n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lga s MET 229 N -1.42 -0.00 0.33 1.61 -1.94 -1.26 -4.85 119.30 111.77 1lga s MET 229 Ca 0.48 0.06 -0.29 0.00 -1.71 0.00 0.00 55.69 54.23 1lga s MET 229 Cb 0.28 -0.09 -0.11 0.00 2.01 0.00 0.00 34.83 36.92 1lga s MET 229 CO 0.28 -0.05 1.50 0.00 -0.01 0.00 0.00 175.02 176.74 1lga s ALA 230 N 0.34 3.63 0.00 3.03 0.00 -1.26 -2.13 121.76 125.38 1lga s ALA 230 Ca -0.03 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1lga s ALA 230 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1lga s ALA 230 CO -0.01 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1lga n GLY 231 N 1.21 2.53 3.78 0.00 0.00 -1.26 -0.37 105.19 111.07 1lga n GLY 231 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1lga n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lga s GLU 232 N -0.01 3.98 0.18 1.61 2.12 -0.91 -3.95 118.70 121.73 1lga s GLU 232 Ca 0.00 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1lga s GLU 232 Cb 0.00 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1lga s GLU 232 CO 0.00 0.45 0.36 -1.50 -0.54 0.00 0.00 175.26 174.02 1lga s ILE 233 N -0.12 5.24 -0.07 -3.70 2.07 -0.57 -4.39 121.20 119.66 1lga s ILE 233 Ca 0.14 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1lga s ILE 233 Cb -0.12 -3.73 0.02 0.00 0.13 0.00 0.00 42.46 38.75 1lga s ILE 233 CO 0.03 -0.14 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.24 1lga s ARG 234 N -3.27 1.33 0.18 3.50 3.52 -1.26 -4.45 118.95 118.50 1lga s ARG 234 Ca 0.37 -0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1lga s ARG 234 Cb -0.11 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1lga s ARG 234 CO 0.29 -0.11 0.36 0.96 -0.81 0.00 0.00 175.30 175.98 1lga s ILE 235 N 1.14 5.24 0.24 4.11 -4.36 -1.26 -1.75 121.20 124.56 1lga s ILE 235 Ca -0.06 -0.42 -0.06 0.00 -0.26 0.00 0.00 60.65 59.85 1lga s ILE 235 Cb -0.14 -3.72 0.22 0.00 1.25 0.00 0.00 42.46 40.06 1lga s ILE 235 CO -0.01 -0.13 1.89 -0.61 0.24 0.00 0.00 174.94 176.31 1lga h GLN 236 N 2.13 1.09 -0.66 0.37 4.15 -1.10 -1.29 115.11 119.80 1lga h GLN 236 Ca -0.48 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 58.83 1lga h GLN 236 Cb 1.19 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1lga h GLN 236 CO 0.69 0.72 0.24 1.79 -1.93 0.00 0.00 178.83 180.34 1lga h THR 237 N 1.13 1.23 -0.31 2.39 1.35 -1.73 -0.48 112.91 116.49 1lga h THR 237 Ca 0.36 -0.77 -0.16 0.00 -0.55 0.00 0.00 66.41 65.29 1lga h THR 237 Cb 0.00 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 1lga h THR 237 CO -0.12 0.30 -0.46 0.44 -0.25 0.00 0.00 175.52 175.44 1lga h ASP 238 N 0.96 0.87 0.18 5.36 3.32 -1.76 -0.14 116.42 125.21 1lga h ASP 238 Ca 0.22 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1lga h ASP 238 Cb 0.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1lga h ASP 238 CO -0.02 1.19 -0.18 -0.74 -1.72 0.00 0.00 179.24 177.78 1lga h HIS 239 N 0.64 -0.46 0.00 4.55 2.76 -0.68 -2.45 115.15 119.51 1lga h HIS 239 Ca 0.04 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 1lga h HIS 239 Cb 1.03 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1lga h HIS 239 CO 0.06 -0.27 -0.76 1.79 -1.30 0.00 0.00 177.93 177.45 1lga h THR 240 N -0.38 1.42 0.00 6.26 1.35 -1.05 -3.00 112.91 117.51 1lga h THR 240 Ca 0.00 -2.72 -0.04 0.00 -0.55 0.00 0.00 66.41 63.10 1lga h THR 240 Cb 0.36 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1lga h THR 240 CO -0.05 0.75 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.69 1lga h LEU 241 N 0.00 0.00 -1.56 3.87 3.38 -0.98 0.62 115.31 120.64 1lga h LEU 241 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1lga h LEU 241 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1lga h LEU 241 CO 0.10 0.21 -0.23 0.00 0.09 0.00 0.00 178.44 178.61 1lga h ALA 242 N 1.79 1.35 0.00 1.53 0.00 -1.29 -3.29 119.26 119.35 1lga h ALA 242 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1lga h ALA 242 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1lga h ALA 242 CO 0.03 0.29 -1.47 0.54 0.00 0.00 0.00 179.25 178.63 1lga n ARG 243 N -3.86 0.59 -1.99 0.00 1.74 -0.94 -4.48 116.66 107.72 1lga n ARG 243 Ca -0.02 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 1lga n ARG 243 Cb 0.32 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 1lga n ARG 243 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1lga s ASP 244 N -3.30 5.96 0.57 0.55 -1.08 0.17 -4.77 116.67 114.77 1lga s ASP 244 Ca -0.04 2.65 0.37 0.00 -0.52 0.00 0.00 52.55 55.02 1lga s ASP 244 Cb 0.08 -2.63 1.75 0.00 -1.46 0.00 0.00 42.92 40.66 1lga s ASP 244 CO 0.50 -1.09 2.11 0.77 0.52 0.00 0.00 175.17 177.98 1lga h SER 245 N 2.20 0.00 1.23 -0.34 4.64 -1.90 0.21 113.55 119.60 1lga h SER 245 Ca -0.50 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.68 1lga h SER 245 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1lga h SER 245 CO 0.61 0.00 -0.79 0.03 -0.87 0.00 0.00 176.83 175.80 1lga h ARG 246 N 0.00 0.00 0.00 4.77 3.08 -1.93 -3.39 114.38 116.91 1lga h ARG 246 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1lga h ARG 246 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1lga h ARG 246 CO 0.00 0.56 -0.24 0.25 -1.07 0.00 0.00 179.97 179.48 1lga n THR 247 N -3.19 0.00 -0.15 2.04 -2.24 -0.88 -4.79 114.28 105.07 1lga n THR 247 Ca -0.01 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1lga n THR 247 Cb 0.80 0.82 0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1lga n THR 247 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lga h ALA 248 N 0.00 0.60 0.00 6.98 0.00 -0.67 0.15 119.26 126.32 1lga h ALA 248 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1lga h ALA 248 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lga h ALA 248 CO 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 1lga h GLU 250 N 0.00 0.63 -0.17 0.00 4.57 -1.66 -1.26 114.58 116.69 1lga h GLU 250 Ca -0.00 -0.56 0.05 0.00 -1.18 0.00 0.00 59.36 57.66 1lga h GLU 250 Cb 1.07 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.74 1lga h GLU 250 CO 0.06 1.18 -0.15 2.35 -1.18 0.00 0.00 179.01 181.27 1lga h TRP 251 N 0.41 -0.37 0.00 0.92 2.91 -0.41 -2.08 115.95 117.33 1lga h TRP 251 Ca -0.06 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.91 1lga h TRP 251 Cb 1.46 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 30.29 1lga h TRP 251 CO 0.07 -0.21 -0.33 0.37 -1.03 0.00 0.00 178.44 177.31 1lga h GLN 252 N -0.16 0.00 -0.05 2.65 4.15 -1.26 -3.17 115.11 117.27 1lga h GLN 252 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1lga h GLN 252 Cb 0.32 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1lga h GLN 252 CO -0.27 0.33 0.06 0.66 -1.93 0.00 0.00 178.83 177.68 1lga h SER 253 N 0.00 0.00 1.03 -0.69 4.64 -0.48 -1.33 113.55 116.72 1lga h SER 253 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1lga h SER 253 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1lga h SER 253 CO 0.04 0.00 -0.35 -0.26 -0.87 0.00 0.00 176.83 175.40 1lga h PHE 254 N 0.00 0.00 -2.23 4.77 0.04 -1.64 -3.40 116.94 114.48 1lga h PHE 254 Ca 0.02 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.24 1lga h PHE 254 Cb 0.13 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.30 1lga h PHE 254 CO 0.00 0.35 1.26 0.28 -0.60 0.00 0.00 178.31 179.59 1lga n VAL 255 N -3.41 0.67 -1.08 -0.55 0.31 -0.50 -1.20 118.33 112.57 1lga n VAL 255 Ca 0.00 -0.18 -0.03 0.00 -0.01 0.00 0.00 64.34 64.12 1lga n VAL 255 Cb 0.53 -2.28 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1lga n VAL 255 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lga n GLY 256 N 4.75 0.56 2.53 2.92 0.00 -1.26 -4.94 105.19 109.74 1lga n GLY 256 Ca 0.22 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1lga n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lga s ASN 257 N -2.33 2.50 0.17 1.61 3.84 -0.34 -4.95 114.94 115.44 1lga s ASN 257 Ca 0.00 -3.01 -0.11 0.00 0.21 0.00 0.00 52.86 49.95 1lga s ASN 257 Cb 0.00 -0.70 0.07 0.00 -0.55 0.00 0.00 41.25 40.06 1lga s ASN 257 CO 0.00 -0.19 1.69 -0.61 -2.79 0.00 0.00 177.10 175.20 1lga h GLN 258 N 5.95 0.92 -0.29 0.43 4.15 -1.93 -2.30 115.11 122.05 1lga h GLN 258 Ca 0.18 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1lga h GLN 258 Cb 0.90 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1lga h GLN 258 CO 0.43 0.83 -0.11 0.66 -1.93 0.00 0.00 178.83 178.70 1lga h SER 259 N 0.84 0.46 -0.20 -0.69 4.64 -1.96 -1.11 113.55 115.54 1lga h SER 259 Ca 0.19 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1lga h SER 259 Cb 0.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1lga h SER 259 CO -0.00 0.62 -0.50 0.50 -0.87 0.00 0.00 176.83 176.57 1lga h LYS 260 N 0.45 0.69 -0.24 4.77 3.64 -1.93 0.07 116.57 124.02 1lga h LYS 260 Ca 0.08 -0.48 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1lga h LYS 260 Cb 0.47 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1lga h LYS 260 CO 0.03 1.10 -0.01 1.25 -2.27 0.00 0.00 179.45 179.55 1lga h LEU 261 N 0.39 -0.11 0.06 5.20 5.85 -1.00 -0.33 115.31 125.36 1lga h LEU 261 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1lga h LEU 261 Cb 1.12 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1lga h LEU 261 CO 0.11 -0.03 -0.03 0.58 -0.34 0.00 0.00 178.44 178.74 1lga h VAL 262 N 0.06 1.26 -0.67 1.05 2.07 -1.12 -0.65 116.25 118.26 1lga h VAL 262 Ca 0.11 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1lga h VAL 262 Cb 0.15 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1lga h VAL 262 CO -0.20 0.30 0.11 0.44 0.02 0.00 0.00 177.57 178.23 1lga h ASP 263 N -0.63 1.07 -0.46 0.57 3.32 -0.96 -0.56 116.42 118.76 1lga h ASP 263 Ca -0.01 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1lga h ASP 263 Cb 0.55 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1lga h ASP 263 CO 0.01 1.06 0.02 0.44 -1.72 0.00 0.00 179.24 179.05 1lga h ASP 264 N 1.03 0.78 0.22 6.45 3.32 -1.07 -2.87 116.42 124.28 1lga h ASP 264 Ca 0.20 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 1lga h ASP 264 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1lga h ASP 264 CO 0.01 0.88 -0.64 0.15 -1.72 0.00 0.00 179.24 177.93 1lga h PHE 265 N 0.65 0.52 -0.46 4.55 3.57 -0.84 -1.14 116.94 123.80 1lga h PHE 265 Ca 0.13 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1lga h PHE 265 Cb 0.47 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1lga h PHE 265 CO 0.04 0.93 0.09 0.37 -2.23 0.00 0.00 178.31 177.51 1lga h GLN 266 N 0.29 0.22 0.59 1.11 4.15 -1.11 0.62 115.11 120.99 1lga h GLN 266 Ca -0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1lga h GLN 266 Cb 1.18 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.82 1lga h GLN 266 CO 0.11 0.15 -0.28 0.35 -1.93 0.00 0.00 178.83 177.22 1lga h PHE 267 N 0.23 -0.74 -0.10 3.99 3.57 -1.29 -2.67 116.94 119.94 1lga h PHE 267 Ca 0.23 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1lga h PHE 267 Cb 0.29 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1lga h PHE 267 CO -0.21 -0.43 -0.28 0.97 -2.23 0.00 0.00 178.31 176.13 1lga h ILE 268 N -0.87 1.24 -0.16 1.41 6.09 -0.84 -1.96 117.51 122.41 1lga h ILE 268 Ca -0.08 -1.13 -0.05 0.00 -1.37 0.00 0.00 64.86 62.22 1lga h ILE 268 Cb 0.64 1.48 -0.00 0.00 0.47 0.00 0.00 36.82 39.40 1lga h ILE 268 CO 0.13 0.34 -0.10 0.15 -3.07 0.00 0.00 178.15 175.60 1lga h PHE 269 N 0.16 0.42 -0.79 2.19 3.04 -0.88 -1.47 116.94 119.61 1lga h PHE 269 Ca 0.02 -0.11 0.07 0.00 3.98 0.00 0.00 57.97 61.94 1lga h PHE 269 Cb 0.58 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.93 1lga h PHE 269 CO 0.01 0.70 0.46 1.25 -2.02 0.00 0.00 178.31 178.70 1lga h LEU 270 N 0.02 0.69 -0.36 0.59 5.85 -1.27 -2.04 115.31 118.78 1lga h LEU 270 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1lga h LEU 270 Cb 0.60 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1lga h LEU 270 CO 0.03 0.43 0.16 0.00 -0.34 0.00 0.00 178.44 178.72 1lga h ALA 271 N 1.40 0.44 -0.51 1.25 0.00 -1.08 -2.29 119.26 118.48 1lga h ALA 271 Ca 0.36 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1lga h ALA 271 Cb 0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1lga h ALA 271 CO -0.20 -0.21 0.10 -0.07 0.00 0.00 0.00 179.25 178.86 1lga h LEU 272 N 0.34 -0.01 -2.45 0.00 3.38 -0.67 -0.95 115.31 114.96 1lga h LEU 272 Ca 0.16 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1lga h LEU 272 Cb 0.09 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1lga h LEU 272 CO -0.12 0.02 0.13 0.74 0.09 0.00 0.00 178.44 179.30 1lga h THR 273 N 0.23 0.29 -0.48 0.22 2.02 -0.87 -1.94 112.91 112.38 1lga h THR 273 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1lga h THR 273 Cb 0.35 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1lga h THR 273 CO -0.33 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.56 1lga n GLN 274 N -3.49 2.80 -1.93 6.66 6.02 -0.38 -4.79 117.38 122.27 1lga n GLN 274 Ca -0.01 -2.26 -0.41 0.00 -0.01 0.00 0.00 57.00 54.31 1lga n GLN 274 Cb 0.22 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 1lga n GLN 274 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1lga s LEU 275 N -1.00 4.37 -0.06 1.08 1.43 -0.73 -1.69 118.68 122.08 1lga s LEU 275 Ca 0.32 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 1lga s LEU 275 Cb 0.17 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1lga s LEU 275 CO 0.22 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1lga n GLY 276 N 2.20 0.48 3.37 -3.19 0.00 -1.26 -1.31 105.19 105.49 1lga n GLY 276 Ca 0.07 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1lga n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lga s GLN 277 N -0.78 1.42 -0.30 1.61 -1.52 -0.68 -4.90 119.66 114.52 1lga s GLN 277 Ca 0.00 -1.71 -0.06 0.00 -1.95 0.00 0.00 55.36 51.64 1lga s GLN 277 Cb 0.00 -0.93 0.02 0.00 -0.22 0.00 0.00 33.01 31.88 1lga s GLN 277 CO 0.00 0.00 0.07 0.34 -0.25 0.00 0.00 175.29 175.45 1lga s ASP 278 N -3.37 5.07 0.57 5.90 2.15 -1.26 -4.98 116.67 120.76 1lga s ASP 278 Ca 0.28 -0.80 0.26 0.00 0.43 0.00 0.00 52.55 52.72 1lga s ASP 278 Cb 0.04 -1.85 1.65 0.00 -0.30 0.00 0.00 42.92 42.46 1lga s ASP 278 CO 0.10 -0.21 2.19 -0.65 -0.17 0.00 0.00 175.17 176.43 1lga h PRO 279 N 8.21 0.00 0.00 4.34 0.11 -1.97 -0.21 132.00 142.47 1lga h PRO 279 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1lga h PRO 279 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lga h PRO 279 CO 0.60 0.00 -0.14 0.09 -0.21 0.00 0.00 178.00 178.34 1lga n ASN 280 N -4.01 0.16 -1.37 -2.05 3.02 -1.26 -2.30 115.26 107.44 1lga n ASN 280 Ca -0.02 0.29 0.11 0.00 -0.03 0.00 0.00 54.58 54.94 1lga n ASN 280 Cb 0.15 -0.29 0.33 0.00 -0.61 0.00 0.00 39.78 39.35 1lga n ASN 280 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lga n ALA 281 N -1.51 2.50 -2.75 5.41 0.00 -0.09 -5.00 120.51 119.07 1lga n ALA 281 Ca 0.07 -1.36 -0.22 0.00 0.00 0.00 0.00 53.44 51.93 1lga n ALA 281 Cb 0.34 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1lga n ALA 281 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1lga s MET 282 N -1.16 2.76 -0.15 0.00 -1.94 -0.97 -4.89 119.30 112.95 1lga s MET 282 Ca 0.49 -1.16 -0.04 0.00 -1.71 0.00 0.00 55.69 53.27 1lga s MET 282 Cb 0.27 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.62 1lga s MET 282 CO 0.31 0.36 -0.03 0.99 -0.01 0.00 0.00 175.02 176.64 1lga s THR 283 N -2.20 3.95 -0.31 2.05 2.01 -0.66 -4.90 115.64 115.59 1lga s THR 283 Ca 0.33 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1lga s THR 283 Cb -0.07 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1lga s THR 283 CO 0.24 0.50 1.11 -0.62 -0.69 0.00 0.00 174.62 175.16 1lga s ASP 284 N 0.27 6.90 -0.16 3.53 2.15 -1.26 -0.43 116.67 127.66 1lga s ASP 284 Ca -0.03 1.10 0.14 0.00 0.43 0.00 0.00 52.55 54.19 1lga s ASP 284 Cb -0.14 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.31 1lga s ASP 284 CO 0.03 -0.90 1.19 0.00 -0.17 0.00 0.00 175.17 175.32 1lga h SER 286 N 0.73 0.00 0.03 0.00 0.02 -1.56 -1.34 113.55 111.43 1lga h SER 286 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1lga h SER 286 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1lga h SER 286 CO 0.01 0.00 0.00 0.44 -1.14 0.00 0.00 176.83 176.14 1lga h ASP 287 N 0.00 0.00 0.66 3.07 3.32 -1.88 -1.83 116.42 119.75 1lga h ASP 287 Ca 0.34 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.12 1lga h ASP 287 Cb 1.43 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.94 1lga h ASP 287 CO -0.00 0.00 -1.46 0.58 -1.72 0.00 0.00 179.24 176.64 1lga h VAL 288 N 0.00 1.16 -2.88 -1.35 2.07 -1.61 -3.46 116.25 110.18 1lga h VAL 288 Ca 0.00 -2.95 -0.53 0.00 0.82 0.00 0.00 66.70 64.04 1lga h VAL 288 Cb 0.01 2.59 0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1lga h VAL 288 CO 0.00 0.68 0.83 -0.63 0.02 0.00 0.00 177.57 178.46 1lga s ILE 289 N -2.64 2.91 0.77 4.57 -1.09 -0.69 -4.97 121.20 120.08 1lga s ILE 289 Ca -0.03 0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 58.91 1lga s ILE 289 Cb 0.09 -3.41 0.06 0.00 -1.58 0.00 0.00 42.46 37.62 1lga s ILE 289 CO 0.82 0.05 1.12 -2.16 -1.23 0.00 0.00 174.94 173.54 1lga s PRO 290 N 1.22 2.09 0.24 2.79 0.04 -1.26 -4.98 135.00 135.15 1lga s PRO 290 Ca 0.68 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1lga s PRO 290 Cb -0.41 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1lga s PRO 290 CO 0.31 -1.80 1.22 -0.51 0.04 0.00 0.00 177.00 176.26 1lga s LEU 291 N -5.75 4.46 0.49 -3.56 1.02 -1.26 -4.82 118.68 109.27 1lga s LEU 291 Ca 0.65 2.37 -0.19 0.00 0.02 0.00 0.00 54.13 56.98 1lga s LEU 291 Cb -0.21 -3.62 -0.08 0.00 0.02 0.00 0.00 46.19 42.30 1lga s LEU 291 CO 0.52 -0.38 1.01 -0.44 0.02 0.00 0.00 176.35 177.08 1lga s SER 292 N -0.20 6.45 -0.00 2.29 0.01 -1.26 -4.96 113.70 116.02 1lga s SER 292 Ca 0.51 1.81 -0.09 0.00 1.31 0.00 0.00 55.95 59.49 1lga s SER 292 Cb -0.35 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 1lga s SER 292 CO 0.41 -0.71 0.29 -0.54 0.41 0.00 0.00 173.24 173.11 1lga s LYS 293 N -3.44 3.65 0.89 12.44 1.02 -1.26 -4.99 119.74 128.05 1lga s LYS 293 Ca 0.64 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 56.57 1lga s LYS 293 Cb -0.14 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.18 1lga s LYS 293 CO 0.22 0.66 1.06 -0.35 -0.92 0.00 0.00 175.35 176.02 1lga n PRO 294 N 1.35 -0.25 -2.42 -1.68 -0.04 -1.26 -0.98 135.00 129.73 1lga n PRO 294 Ca -0.13 -0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1lga n PRO 294 Cb 0.53 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 1lga n PRO 294 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lga s ILE 295 N -2.45 4.16 0.24 0.52 1.01 -1.26 -4.27 121.20 119.15 1lga s ILE 295 Ca 0.67 1.50 0.09 0.00 0.00 0.00 0.00 60.65 62.91 1lga s ILE 295 Cb -0.25 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 1lga s ILE 295 CO 0.57 0.00 1.54 1.55 0.00 0.00 0.00 174.94 178.60 1lga h PRO 296 N 7.50 0.02 0.00 2.79 0.13 -1.96 -3.47 132.00 137.02 1lga h PRO 296 Ca -0.35 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1lga h PRO 296 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1lga h PRO 296 CO 0.88 0.71 0.00 0.41 -0.23 0.00 0.00 178.00 179.77 1lga n GLY 297 N 0.47 0.90 2.57 1.56 0.00 -1.26 -4.99 105.19 104.44 1lga n GLY 297 Ca -0.01 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1lga n GLY 297 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lga n ASN 298 N 0.00 2.70 -4.96 1.61 2.85 -1.26 -5.10 115.26 111.10 1lga n ASN 298 Ca 0.00 -2.85 -0.20 0.00 -0.11 0.00 0.00 54.58 51.42 1lga n ASN 298 Cb 0.00 -0.47 0.04 0.00 1.24 0.00 0.00 39.78 40.59 1lga n ASN 298 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1lga s GLY 299 N -3.51 1.85 0.30 8.20 0.00 -1.26 -5.06 107.32 107.84 1lga s GLY 299 Ca 0.35 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1lga s GLY 299 CO -0.03 -1.27 1.44 -1.55 0.00 0.00 0.00 173.10 171.69 1lga n PRO 300 N -2.21 2.33 -0.33 2.90 -0.04 -1.26 -4.94 135.00 131.44 1lga n PRO 300 Ca 0.09 0.82 0.02 0.00 -0.04 0.00 0.00 63.50 64.40 1lga n PRO 300 Cb 0.60 -2.51 0.16 0.00 -0.04 0.00 0.00 33.50 31.71 1lga n PRO 300 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1lga h PHE 301 N 3.80 1.06 -3.59 0.54 3.57 -1.97 -3.43 116.94 116.92 1lga h PHE 301 Ca -0.46 0.03 -0.56 0.00 3.53 0.00 0.00 57.97 60.51 1lga h PHE 301 Cb 1.26 -0.34 -0.20 0.00 2.79 0.00 0.00 35.95 39.46 1lga h PHE 301 CO 0.55 0.53 -0.81 -1.12 -2.23 0.00 0.00 178.31 175.23 1lga s SER 302 N -5.80 2.71 0.31 0.41 0.01 -1.26 -4.65 113.70 105.43 1lga s SER 302 Ca -0.12 -0.78 -0.19 0.00 1.31 0.00 0.00 55.95 56.17 1lga s SER 302 Cb 0.19 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1lga s SER 302 CO 0.80 0.03 0.72 0.72 0.41 0.00 0.00 173.24 175.92 1lga s PHE 303 N -1.58 -0.06 -0.21 2.43 -0.12 -1.26 -4.69 117.98 112.49 1lga s PHE 303 Ca 0.12 -0.45 -0.11 0.00 -0.05 0.00 0.00 56.93 56.44 1lga s PHE 303 Cb -0.08 0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 42.97 1lga s PHE 303 CO 0.06 -1.32 0.17 -0.06 -0.05 0.00 0.00 175.22 174.02 1lga s PHE 304 N -3.47 3.39 0.85 3.49 0.08 0.20 -4.97 117.98 117.54 1lga s PHE 304 Ca 0.13 0.35 -0.13 0.00 0.12 0.00 0.00 56.93 57.40 1lga s PHE 304 Cb -0.05 -2.23 0.06 0.00 -0.57 0.00 0.00 43.02 40.22 1lga s PHE 304 CO 0.09 0.21 0.85 -0.35 -0.10 0.00 0.00 175.22 175.92 1lga n PRO 305 N 3.78 -0.02 -1.58 0.24 -0.04 -1.26 -1.30 135.00 134.80 1lga n PRO 305 Ca -0.15 0.06 -0.49 0.00 -0.04 0.00 0.00 63.50 62.88 1lga n PRO 305 Cb 0.52 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1lga n PRO 305 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1lga n PRO 306 N -2.52 1.19 -0.84 0.54 -0.02 -1.25 -2.10 135.00 130.01 1lga n PRO 306 Ca 0.11 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1lga n PRO 306 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1lga n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lga n GLY 307 N 2.16 0.68 3.40 -1.23 0.00 -1.24 -3.85 105.19 105.11 1lga n GLY 307 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1lga n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lga s LYS 308 N -0.16 1.45 0.36 1.61 -0.14 -0.89 -4.86 119.74 117.10 1lga s LYS 308 Ca 0.00 -1.48 -0.03 0.00 -1.36 0.00 0.00 55.97 53.09 1lga s LYS 308 Cb 0.00 -1.72 0.01 0.00 -1.68 0.00 0.00 37.83 34.45 1lga s LYS 308 CO 0.00 0.37 0.52 -1.13 -0.76 0.00 0.00 175.35 174.35 1lga n SER 309 N 0.31 -1.47 0.18 2.83 3.41 -1.26 -4.73 113.62 112.90 1lga n SER 309 Ca -0.13 -2.86 0.13 0.00 -0.26 0.00 0.00 58.87 55.75 1lga n SER 309 Cb 0.56 2.69 0.69 0.00 -0.26 0.00 0.00 64.21 67.89 1lga n SER 309 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1lga h HIS 310 N 2.01 0.00 0.00 7.33 2.76 -1.95 -0.66 115.15 124.64 1lga h HIS 310 Ca -0.28 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.88 1lga h HIS 310 Cb 1.19 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.15 1lga h HIS 310 CO 0.00 0.00 -0.05 0.77 -1.30 0.00 0.00 177.93 177.35 1lga h SER 311 N 0.00 0.00 0.76 3.26 0.02 -2.02 -2.43 113.55 113.14 1lga h SER 311 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1lga h SER 311 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1lga h SER 311 CO -0.00 0.05 -0.14 0.47 -1.14 0.00 0.00 176.83 176.07 1lga n ASP 312 N -3.47 0.19 -4.74 3.07 8.00 -0.25 -4.86 116.55 114.48 1lga n ASP 312 Ca -0.02 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 1lga n ASP 312 Cb 0.18 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 1lga n ASP 312 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lga s ILE 313 N -2.91 3.80 -0.64 0.53 -1.09 -0.92 -0.91 121.20 119.06 1lga s ILE 313 Ca 0.16 1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 60.01 1lga s ILE 313 Cb 0.19 -4.01 0.16 0.00 -1.58 0.00 0.00 42.46 37.21 1lga s ILE 313 CO 0.56 0.29 0.61 -1.61 -1.23 0.00 0.00 174.94 173.56 1lga s GLU 314 N -0.52 3.20 -0.19 2.79 2.02 -0.02 -4.84 118.70 121.13 1lga s GLU 314 Ca 0.49 -1.92 -0.32 0.00 0.02 0.00 0.00 54.97 53.24 1lga s GLU 314 Cb -0.30 -4.35 -0.09 0.00 0.10 0.00 0.00 34.13 29.49 1lga s GLU 314 CO 0.36 -1.34 2.09 0.94 0.02 0.00 0.00 175.26 177.33 1lga n GLN 315 N 4.96 1.86 -0.02 1.61 -0.06 -1.26 -4.83 117.38 119.64 1lga n GLN 315 Ca -0.04 0.59 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 1lga n GLN 315 Cb 0.43 -2.83 -0.05 0.00 -4.06 0.00 0.00 30.24 23.73 1lga n GLN 315 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1lga n ALA 316 N 9.32 2.04 -2.54 1.69 0.00 -1.26 -4.94 120.51 124.82 1lga n ALA 316 Ca 0.30 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1lga n ALA 316 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 1lga n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lga h ALA 318 N 8.75 0.76 0.04 0.00 0.00 -1.97 -3.34 119.26 123.51 1lga h ALA 318 Ca -0.23 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.06 1lga h ALA 318 Cb 1.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1lga h ALA 318 CO 1.05 0.47 -1.44 0.93 0.00 0.00 0.00 179.25 180.26 1lga h GLU 319 N 0.00 0.08 -4.79 0.00 3.07 -2.03 -3.45 114.58 107.46 1lga h GLU 319 Ca -0.00 -0.14 -0.57 0.00 -0.50 0.00 0.00 59.36 58.15 1lga h GLU 319 Cb 1.27 0.05 -0.33 0.00 -0.84 0.00 0.00 28.75 28.90 1lga h GLU 319 CO 0.05 0.86 -0.84 0.99 -1.40 0.00 0.00 179.01 178.67 1lga s THR 320 N -2.64 1.43 0.45 1.13 2.01 -1.25 -5.11 115.64 111.65 1lga s THR 320 Ca -0.05 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 1lga s THR 320 Cb 0.08 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 1lga s THR 320 CO 0.83 0.42 1.27 -2.16 -0.69 0.00 0.00 174.62 174.29 1lga s PRO 321 N 0.59 3.74 0.17 4.92 0.04 -1.26 -4.69 135.00 138.50 1lga s PRO 321 Ca -0.15 2.05 -0.34 0.00 0.04 0.00 0.00 61.00 62.60 1lga s PRO 321 Cb -0.16 -2.55 -0.14 0.00 0.04 0.00 0.00 34.50 31.69 1lga s PRO 321 CO 0.05 -0.64 1.58 0.34 0.04 0.00 0.00 177.00 178.36 1lga n PHE 322 N -0.29 2.31 -0.96 0.56 7.35 -1.26 -4.93 117.46 120.24 1lga n PHE 322 Ca 0.06 0.26 -0.33 0.00 -0.76 0.00 0.00 57.45 56.68 1lga n PHE 322 Cb 0.45 -2.55 0.12 0.00 0.35 0.00 0.00 39.48 37.86 1lga n PHE 322 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1lga n PRO 323 N 3.34 -0.06 -3.04 -7.13 -0.04 -1.26 -4.92 135.00 121.89 1lga n PRO 323 Ca 0.16 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 1lga n PRO 323 Cb 0.29 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1lga n PRO 323 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lga s SER 324 N -2.09 6.31 0.16 3.54 0.15 -1.26 -5.01 113.70 115.50 1lga s SER 324 Ca 0.66 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1lga s SER 324 Cb -0.27 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1lga s SER 324 CO 0.58 -0.95 0.16 -0.76 1.20 0.00 0.00 173.24 173.47 1lga s LEU 325 N 3.10 3.88 0.68 3.45 1.02 -1.26 -5.11 118.68 124.43 1lga s LEU 325 Ca 0.23 -0.09 -0.14 0.00 0.02 0.00 0.00 54.13 54.15 1lga s LEU 325 Cb -0.15 -2.48 0.01 0.00 0.02 0.00 0.00 46.19 43.58 1lga s LEU 325 CO 0.17 0.07 1.11 0.68 0.02 0.00 0.00 176.35 178.40 1lga s VAL 326 N -1.74 3.22 -0.18 -1.59 -7.23 -1.26 -4.77 120.40 106.84 1lga s VAL 326 Ca 0.31 0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 60.96 1lga s VAL 326 Cb -0.10 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1lga s VAL 326 CO 0.24 -0.38 0.03 -0.89 -0.31 0.00 0.00 175.10 173.80 1lga s THR 327 N -2.41 4.52 0.52 5.32 2.01 -1.26 -0.63 115.64 123.71 1lga s THR 327 Ca 0.66 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1lga s THR 327 Cb -0.20 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 1lga s THR 327 CO 0.44 0.47 1.15 -0.76 -0.69 0.00 0.00 174.62 175.23 1lga s LEU 328 N 0.40 3.83 0.49 4.42 1.43 -0.42 -4.94 118.68 123.89 1lga s LEU 328 Ca 0.01 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.13 1lga s LEU 328 Cb -0.13 -4.46 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 1lga s LEU 328 CO 0.01 -1.15 1.28 -2.84 0.23 0.00 0.00 176.35 173.88 1lga s PRO 329 N -3.08 3.52 0.00 1.29 0.02 -1.26 -3.83 135.00 131.65 1lga s PRO 329 Ca 0.70 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1lga s PRO 329 Cb -0.26 -2.40 0.00 0.00 0.02 0.00 0.00 34.50 31.85 1lga s PRO 329 CO 0.30 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 1lga n GLY 330 N 0.61 2.42 3.66 0.52 0.00 -1.26 -4.74 105.19 106.40 1lga n GLY 330 Ca 0.08 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1lga n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lga s PRO 331 N -2.27 0.49 0.42 1.61 0.04 -1.26 -3.63 135.00 130.40 1lga s PRO 331 Ca 0.00 0.67 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 1lga s PRO 331 Cb 0.00 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 1lga s PRO 331 CO 0.00 -2.73 1.40 0.00 0.04 0.00 0.00 177.00 175.71 1lga s ALA 332 N -2.88 3.30 0.52 8.56 0.00 -1.25 -4.47 121.76 125.54 1lga s ALA 332 Ca 0.65 1.42 0.07 0.00 0.00 0.00 0.00 51.96 54.10 1lga s ALA 332 Cb -0.19 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1lga s ALA 332 CO 0.58 -1.07 0.46 0.95 0.00 0.00 0.00 175.76 176.68 1lga s THR 333 N -1.20 1.94 -0.14 0.00 -4.23 -1.26 -5.00 115.64 105.74 1lga s THR 333 Ca 0.58 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1lga s THR 333 Cb -0.43 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 1lga s THR 333 CO 0.55 0.00 -0.16 -0.55 -0.54 0.00 0.00 174.62 173.92 1lga s SER 334 N -4.31 3.63 0.14 3.99 0.15 -1.26 -3.99 113.70 112.05 1lga s SER 334 Ca 0.41 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1lga s SER 334 Cb -0.03 -1.55 -0.07 0.00 -1.71 0.00 0.00 66.02 62.66 1lga s SER 334 CO 0.25 0.11 1.23 -0.69 1.20 0.00 0.00 173.24 175.35 1lga s VAL 335 N 0.64 3.64 0.49 4.45 1.01 0.50 -4.92 120.40 126.22 1lga s VAL 335 Ca -0.09 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.00 1lga s VAL 335 Cb -0.16 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1lga s VAL 335 CO 0.02 0.16 1.01 0.00 0.00 0.00 0.00 175.10 176.30 1lga s ALA 336 N 0.41 2.93 0.38 5.51 0.00 -1.26 -4.44 121.76 125.29 1lga s ALA 336 Ca 0.56 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 1lga s ALA 336 Cb -0.32 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1lga s ALA 336 CO 0.34 -0.26 0.97 1.03 0.00 0.00 0.00 175.76 177.84 1lga s ARG 337 N -3.51 4.36 -0.30 0.00 0.52 -1.26 -4.63 118.95 114.12 1lga s ARG 337 Ca 0.64 1.28 -0.07 0.00 -0.52 0.00 0.00 55.73 57.05 1lga s ARG 337 Cb -0.13 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.84 1lga s ARG 337 CO 0.23 0.08 0.10 0.42 0.02 0.00 0.00 175.30 176.14 1lga s ILE 338 N -1.84 4.09 0.18 1.52 1.09 -0.42 -5.03 121.20 120.78 1lga s ILE 338 Ca 0.56 -0.64 -0.31 0.00 -1.10 0.00 0.00 60.65 59.16 1lga s ILE 338 Cb -0.16 -3.11 -0.09 0.00 -1.06 0.00 0.00 42.46 38.04 1lga s ILE 338 CO 0.20 0.07 1.45 -2.84 -0.10 0.00 0.00 174.94 173.72 1lga s PRO 339 N 1.52 4.28 0.96 2.79 0.02 -1.26 -3.88 135.00 139.44 1lga s PRO 339 Ca 0.03 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.15 1lga s PRO 339 Cb -0.17 -3.17 0.10 0.00 0.02 0.00 0.00 34.50 31.28 1lga s PRO 339 CO 0.03 -0.46 0.73 -0.35 -0.33 0.00 0.00 177.00 176.62 1lga n PRO 340 N 3.34 -0.58 -2.06 5.54 -0.04 -1.26 -4.69 135.00 135.25 1lga n PRO 340 Ca 0.10 -0.12 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 1lga n PRO 340 Cb 0.41 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 1lga n PRO 340 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1lga s HIS 341 N -2.49 2.85 -0.11 0.54 5.65 -1.26 -4.97 115.29 115.50 1lga s HIS 341 Ca 0.62 1.40 -0.29 0.00 0.25 0.00 0.00 55.06 57.04 1lga s HIS 341 Cb -0.22 -3.68 -0.05 0.00 -1.18 0.00 0.00 32.58 27.45 1lga s HIS 341 CO 0.63 -2.08 1.77 -1.59 -0.65 0.00 0.00 174.74 172.83 1lga s LYS 342 N -2.16 3.92 0.00 2.88 0.00 -1.26 -5.10 119.74 118.03 1lga s LYS 342 Ca 0.55 2.08 0.00 0.00 0.00 0.00 0.00 55.97 58.60 1lga s LYS 342 Cb -0.39 -4.08 0.00 0.00 0.00 0.00 0.00 37.83 33.36 1lga s LYS 342 CO 0.50 -1.17 0.00 0.00 0.00 0.00 0.00 175.35 174.68