#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael n PHE 2 N 0.00 0.00 -4.12 0.00 3.72 -1.26 -5.10 117.46 110.70 1ael n PHE 2 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1ael n PHE 2 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1ael n PHE 2 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1ael s ASP 3 N -2.00 5.36 0.09 4.37 -4.77 -1.26 -3.82 116.67 114.65 1ael s ASP 3 Ca 0.00 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 1ael s ASP 3 Cb 0.00 -1.34 0.00 0.00 -1.09 0.00 0.00 42.92 40.49 1ael s ASP 3 CO 0.00 0.04 0.00 0.61 0.70 0.00 0.00 175.17 176.52 1ael n GLY 4 N -0.60 -2.10 3.53 2.12 0.00 0.15 -4.71 105.19 103.57 1ael n GLY 4 Ca -0.08 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1ael n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 5 N -0.72 1.75 0.00 2.61 -4.23 -1.26 0.13 115.64 113.92 1ael s THR 5 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ael s THR 5 Cb 0.00 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1ael s THR 5 CO 0.00 0.00 0.00 0.79 -0.54 0.00 0.00 174.62 174.87 1ael n TRP 6 N -4.84 0.00 0.00 3.99 5.03 -1.26 -3.87 117.44 116.49 1ael n TRP 6 Ca 0.08 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.61 1ael n TRP 6 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.86 1ael n TRP 6 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ael n LYS 7 N -0.09 0.00 -2.85 -0.99 5.02 -1.26 -1.50 118.16 116.49 1ael n LYS 7 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1ael n LYS 7 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1ael n LYS 7 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ael n VAL 8 N 0.00 -0.05 -0.32 -0.18 0.31 -1.25 -3.62 118.33 113.22 1ael n VAL 8 Ca 0.00 -2.27 0.16 0.00 -0.01 0.00 0.00 64.34 62.22 1ael n VAL 8 Cb 0.00 1.04 0.33 0.00 -0.91 0.00 0.00 33.84 34.30 1ael n VAL 8 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 9 N 3.05 -0.17 -2.23 4.52 1.82 0.85 -3.43 116.42 120.84 1ael h ASP 9 Ca -0.05 0.24 -0.58 0.00 -0.39 0.00 0.00 57.03 56.26 1ael h ASP 9 Cb 1.06 0.37 -0.13 0.00 0.68 0.00 0.00 39.33 41.31 1ael h ASP 9 CO 0.23 -0.29 -0.56 0.00 -1.61 0.00 0.00 179.24 177.02 1ael s ARG 10 N -5.91 1.92 -0.24 0.28 3.03 -0.75 -4.98 118.95 112.30 1ael s ARG 10 Ca -0.12 -2.14 -0.03 0.00 2.03 0.00 0.00 55.73 55.47 1ael s ARG 10 Cb 0.28 -1.09 0.13 0.00 -1.03 0.00 0.00 34.95 33.24 1ael s ARG 10 CO 0.78 -0.29 0.37 0.54 -1.13 0.00 0.00 175.30 175.57 1ael s ASN 11 N -3.66 0.32 0.00 -2.89 4.22 -1.26 -4.18 114.94 107.49 1ael s ASN 11 Ca 0.25 0.17 0.00 0.00 -2.14 0.00 0.00 52.86 51.14 1ael s ASN 11 Cb 0.05 1.07 0.00 0.00 1.28 0.00 0.00 41.25 43.66 1ael s ASN 11 CO 0.13 -0.30 0.01 -0.62 -2.04 0.00 0.00 177.10 174.27 1ael n GLU 12 N 5.36 0.00 0.00 3.55 -0.58 0.13 -4.62 120.64 124.48 1ael n GLU 12 Ca -0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1ael n GLU 12 Cb 0.50 -0.13 0.40 0.00 -0.57 0.00 0.00 31.44 31.65 1ael n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ael n ASN 13 N -0.10 0.54 -0.25 1.62 3.02 -1.26 -4.58 115.26 114.26 1ael n ASN 13 Ca 0.00 -0.36 0.03 0.00 -0.03 0.00 0.00 54.58 54.23 1ael n ASN 13 Cb 0.00 0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.31 1ael n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ael n TYR 14 N -1.19 0.21 -0.29 3.10 4.19 -1.26 -0.94 117.16 120.98 1ael n TYR 14 Ca 0.09 0.82 -0.06 0.00 3.31 0.00 0.00 57.90 62.07 1ael n TYR 14 Cb 0.33 -0.87 0.06 0.00 0.49 0.00 0.00 39.34 39.35 1ael n TYR 14 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 1ael h GLU 15 N 0.00 1.16 0.00 2.98 4.11 -1.89 -2.93 114.58 118.00 1ael h GLU 15 Ca 0.31 -0.20 -0.11 0.00 0.07 0.00 0.00 59.36 59.43 1ael h GLU 15 Cb 0.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ael h GLU 15 CO -0.69 0.92 -0.54 -0.22 0.07 0.00 0.00 179.01 178.55 1ael h LYS 16 N 1.13 0.00 -0.11 1.06 3.64 -1.38 -2.97 116.57 117.93 1ael h LYS 16 Ca 0.26 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1ael h LYS 16 Cb 0.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1ael h LYS 16 CO -0.03 0.54 -0.48 0.35 -2.27 0.00 0.00 179.45 177.56 1ael h PHE 17 N 0.00 0.35 -0.01 1.91 3.04 -0.95 -2.72 116.94 118.56 1ael h PHE 17 Ca -0.01 -0.11 -0.09 0.00 3.98 0.00 0.00 57.97 61.74 1ael h PHE 17 Cb 1.39 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 39.84 1ael h PHE 17 CO 0.00 0.72 -0.35 0.52 -2.02 0.00 0.00 178.31 177.18 1ael h MET 18 N 0.23 0.26 -0.90 1.11 2.86 -1.61 -3.32 114.93 113.56 1ael h MET 18 Ca 0.01 -0.26 0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1ael h MET 18 Cb 0.94 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 1ael h MET 18 CO 0.08 0.96 0.54 1.49 1.06 0.00 0.00 176.91 181.03 1ael h GLU 19 N -0.33 0.83 0.00 1.72 4.81 -1.48 -2.60 114.58 117.52 1ael h GLU 19 Ca -0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1ael h GLU 19 Cb 1.07 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1ael h GLU 19 CO 0.07 0.55 -0.13 0.87 -0.73 0.00 0.00 179.01 179.63 1ael h LYS 20 N 0.85 0.00 -0.00 1.92 6.56 -1.58 -1.59 116.57 122.74 1ael h LYS 20 Ca 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 1ael h LYS 20 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1ael h LYS 20 CO -0.27 0.13 -0.14 -1.33 -2.06 0.00 0.00 179.45 175.78 1ael n MET 21 N -3.53 0.06 0.00 3.15 2.81 -1.01 -4.86 117.12 113.75 1ael n MET 21 Ca -0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1ael n MET 21 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1ael n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ael n GLY 22 N 1.48 0.96 3.57 3.03 0.00 -0.62 -4.55 105.19 109.05 1ael n GLY 22 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ael n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ael s ILE 23 N -1.62 3.69 0.45 -0.61 1.09 -1.05 -4.82 121.20 118.33 1ael s ILE 23 Ca 0.00 -0.98 -0.21 0.00 -1.10 0.00 0.00 60.65 58.36 1ael s ILE 23 Cb 0.00 -4.63 -0.13 0.00 -1.06 0.00 0.00 42.46 36.63 1ael s ILE 23 CO 0.00 -1.32 0.30 -3.20 -0.10 0.00 0.00 174.94 170.61 1ael n ASN 24 N 12.32 -1.96 0.30 3.58 2.85 -1.26 -4.10 115.26 126.99 1ael n ASN 24 Ca 0.43 0.82 0.20 0.00 -0.11 0.00 0.00 54.58 55.91 1ael n ASN 24 Cb 0.47 -1.01 0.90 0.00 1.24 0.00 0.00 39.78 41.38 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1ael h VAL 25 N 0.44 0.00 0.00 3.44 -1.51 -1.94 -2.83 116.25 113.86 1ael h VAL 25 Ca -0.40 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1ael h VAL 25 Cb 1.42 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1ael h VAL 25 CO 0.48 0.00 -0.07 1.62 -1.23 0.00 0.00 177.57 178.37 1ael h VAL 26 N 0.00 0.38 0.00 7.19 3.04 -2.01 0.23 116.25 125.08 1ael h VAL 26 Ca 0.00 -0.40 -0.17 0.00 -1.01 0.00 0.00 66.70 65.12 1ael h VAL 26 Cb 0.31 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 1ael h VAL 26 CO 0.00 0.07 -0.80 0.50 -1.01 0.00 0.00 177.57 176.34 1ael h LYS 27 N 0.00 0.00 -0.03 4.17 3.64 -1.85 -3.33 116.57 119.17 1ael h LYS 27 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ael h LYS 27 Cb 0.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ael h LYS 27 CO 0.01 0.80 0.54 -0.09 -2.27 0.00 0.00 179.45 178.43 1ael h ARG 28 N 0.00 0.00 -0.08 1.90 2.43 -0.60 1.29 114.38 119.31 1ael h ARG 28 Ca -0.01 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1ael h ARG 28 Cb 1.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1ael h ARG 28 CO 0.10 0.00 -0.72 1.57 -1.51 0.00 0.00 179.97 179.41 1ael h LYS 29 N 0.00 0.42 -0.00 0.20 -0.00 -1.68 -3.29 116.57 112.22 1ael h LYS 29 Ca 0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 1ael h LYS 29 Cb 1.08 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 1ael h LYS 29 CO -0.00 0.98 -0.14 1.28 -0.00 0.00 0.00 179.45 181.57 1ael n LEU 30 N -3.85 0.50 0.09 7.07 7.99 0.12 -4.67 117.00 124.25 1ael n LEU 30 Ca -0.04 -0.63 -0.12 0.00 -0.01 0.00 0.00 56.01 55.20 1ael n LEU 30 Cb 0.70 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.90 1ael n LEU 30 CO 0.48 0.11 0.06 1.23 -1.51 0.00 0.00 177.39 177.77 1ael h GLY 31 N 0.92 0.20 -2.45 -0.72 0.00 0.13 -3.45 103.07 97.70 1ael h GLY 31 Ca 0.00 -0.48 -0.49 0.00 0.00 0.00 0.00 47.33 46.36 1ael h GLY 31 CO 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 176.54 176.93 1ael s ALA 32 N -2.77 3.54 -1.17 3.60 0.00 -1.24 -4.23 121.76 119.49 1ael s ALA 32 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1ael s ALA 32 Cb 0.08 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1ael s ALA 32 CO 0.86 -0.13 0.14 0.72 0.00 0.00 0.00 175.76 177.34 1ael n HIS 33 N -1.86 -0.90 -3.06 0.00 8.25 -1.26 -4.96 115.22 111.42 1ael n HIS 33 Ca -0.02 0.12 -0.45 0.00 -0.26 0.00 0.00 57.72 57.12 1ael n HIS 33 Cb 0.55 -3.16 -0.03 0.00 1.12 0.00 0.00 29.99 28.47 1ael n HIS 33 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1ael s ASP 34 N -2.50 6.51 -0.77 0.41 -4.77 -1.26 -4.98 116.67 109.31 1ael s ASP 34 Ca 0.07 -1.96 -0.17 0.00 -3.30 0.00 0.00 52.55 47.19 1ael s ASP 34 Cb -0.03 -2.33 -0.19 0.00 -1.09 0.00 0.00 42.92 39.28 1ael s ASP 34 CO 0.09 -0.99 2.02 -3.20 0.70 0.00 0.00 175.17 173.78 1ael n ASN 35 N 5.98 0.19 -4.26 2.11 4.05 -1.26 -4.76 115.26 117.32 1ael n ASN 35 Ca 0.11 -1.49 -0.44 0.00 0.45 0.00 0.00 54.58 53.21 1ael n ASN 35 Cb 0.47 -1.21 -0.05 0.00 1.23 0.00 0.00 39.78 40.21 1ael n ASN 35 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ael s LEU 36 N 9.18 6.14 -0.86 1.20 0.20 -1.25 -3.90 118.68 129.39 1ael s LEU 36 Ca 0.83 -2.37 -0.23 0.00 0.69 0.00 0.00 54.13 53.05 1ael s LEU 36 Cb -0.26 -2.10 -0.18 0.00 -0.43 0.00 0.00 46.19 43.21 1ael s LEU 36 CO 0.21 -0.62 2.22 1.17 -0.29 0.00 0.00 176.35 179.05 1ael n LYS 37 N 4.34 0.33 -0.31 1.98 4.81 -0.02 -3.87 118.16 125.42 1ael n LYS 37 Ca 0.02 -1.00 0.25 0.00 -0.87 0.00 0.00 58.31 56.72 1ael n LYS 37 Cb 0.43 -3.38 0.56 0.00 0.02 0.00 0.00 35.03 32.65 1ael n LYS 37 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ael h LEU 38 N 20.83 0.35 -0.99 3.14 7.12 -1.49 0.14 115.31 144.40 1ael h LEU 38 Ca 0.00 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1ael h LEU 38 Cb 1.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1ael h LEU 38 CO 1.06 0.07 0.00 0.41 -0.13 0.00 0.00 178.44 179.85 1ael n THR 39 N -4.52 0.00 -5.17 1.05 -1.04 -0.56 -1.81 114.28 102.22 1ael n THR 39 Ca 0.24 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.94 1ael n THR 39 Cb 0.92 -0.50 -0.15 0.00 -1.82 0.00 0.00 70.33 68.78 1ael n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ael s ILE 40 N 0.00 2.32 -0.36 12.58 1.01 0.34 -1.21 121.20 135.88 1ael s ILE 40 Ca 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.65 1ael s ILE 40 Cb 0.00 -1.84 0.16 0.00 0.01 0.00 0.00 42.46 40.79 1ael s ILE 40 CO 0.00 0.56 0.43 -0.89 0.00 0.00 0.00 174.94 175.04 1ael s THR 41 N -0.66 -0.53 0.42 2.92 2.01 -1.22 0.30 115.64 118.89 1ael s THR 41 Ca 0.11 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.22 1ael s THR 41 Cb -0.10 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.70 1ael s THR 41 CO -0.00 -0.40 1.37 0.00 -0.69 0.00 0.00 174.62 174.89 1ael s GLN 42 N 1.79 3.86 -0.28 4.92 -2.07 -1.26 0.00 119.66 126.62 1ael s GLN 42 Ca 0.15 2.30 -0.01 0.00 -1.82 0.00 0.00 55.36 55.97 1ael s GLN 42 Cb -0.12 -2.73 0.13 0.00 -1.09 0.00 0.00 33.01 29.20 1ael s GLN 42 CO -0.11 -0.63 0.28 -2.00 -1.32 0.00 0.00 175.29 171.51 1ael s GLU 43 N -2.32 0.30 2.13 9.60 2.12 -1.14 -4.83 118.70 124.56 1ael s GLU 43 Ca 0.58 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1ael s GLU 43 Cb -0.41 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.23 1ael s GLU 43 CO 0.53 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1ael n GLY 44 N 5.31 0.81 3.58 -1.50 0.00 -1.26 -3.94 105.19 108.19 1ael n GLY 44 Ca -0.03 0.69 -0.31 0.00 0.00 0.00 0.00 46.02 46.37 1ael n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ael s ASN 45 N -4.00 4.50 0.00 1.61 -0.87 -1.26 -4.99 114.94 109.92 1ael s ASN 45 Ca 0.00 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 1ael s ASN 45 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 41.25 40.26 1ael s ASN 45 CO 0.00 0.24 0.00 2.29 -2.57 0.00 0.00 177.10 177.06 1ael n LYS 46 N 1.25 0.00 -3.64 -0.60 2.85 -1.25 -4.61 118.16 112.15 1ael n LYS 46 Ca -0.15 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.04 1ael n LYS 46 Cb 0.52 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.83 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1ael s PHE 47 N 0.00 -0.50 -1.26 5.58 -0.12 -1.26 -2.88 117.98 117.54 1ael s PHE 47 Ca 0.00 1.14 -0.18 0.00 -0.05 0.00 0.00 56.93 57.84 1ael s PHE 47 Cb 0.00 0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 1ael s PHE 47 CO 0.00 -0.24 1.92 2.41 -0.05 0.00 0.00 175.22 179.26 1ael n THR 48 N 2.65 3.19 -3.65 -4.49 -1.04 0.10 -3.72 114.28 107.32 1ael n THR 48 Ca -0.14 -3.14 -0.37 0.00 -2.04 0.00 0.00 64.05 58.36 1ael n THR 48 Cb 0.56 -2.38 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 1ael n THR 48 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ael s VAL 49 N 5.32 5.29 0.00 12.58 1.01 -0.65 -3.37 120.40 140.59 1ael s VAL 49 Ca 0.55 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1ael s VAL 49 Cb 0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1ael s VAL 49 CO 0.05 0.53 0.00 1.17 0.00 0.00 0.00 175.10 176.85 1ael n LYS 50 N 2.47 0.04 0.00 2.72 4.81 -0.35 0.73 118.16 128.58 1ael n LYS 50 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1ael n LYS 50 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ael n GLU 51 N 0.00 0.00 -3.54 1.64 2.13 0.45 -1.91 120.64 119.41 1ael n GLU 51 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1ael n GLU 51 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1ael n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ael s SER 52 N 0.00 5.87 -0.59 4.31 0.01 -1.02 -3.90 113.70 118.38 1ael s SER 52 Ca 0.00 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1ael s SER 52 Cb 0.00 -2.07 0.42 0.00 0.21 0.00 0.00 66.02 64.58 1ael s SER 52 CO 0.00 -0.44 1.71 -1.54 0.41 0.00 0.00 173.24 173.38 1ael n SER 53 N 5.05 6.60 -2.70 2.44 3.41 -1.25 -0.84 113.62 126.33 1ael n SER 53 Ca -0.11 -3.78 -0.16 0.00 -0.26 0.00 0.00 58.87 54.55 1ael n SER 53 Cb 0.46 -0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1ael n SER 53 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ael n ASN 54 N -0.71 -4.15 0.09 4.04 4.05 -1.26 -4.62 115.26 112.69 1ael n ASN 54 Ca 0.53 0.01 0.00 0.00 0.45 0.00 0.00 54.58 55.57 1ael n ASN 54 Cb 0.62 -3.49 0.00 0.00 1.23 0.00 0.00 39.78 38.15 1ael n ASN 54 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1ael n PHE 55 N -3.64 -2.13 -0.04 1.20 3.72 -1.26 -5.04 117.46 110.27 1ael n PHE 55 Ca -0.12 0.45 -0.05 0.00 -0.05 0.00 0.00 57.45 57.68 1ael n PHE 55 Cb 0.60 1.18 -0.02 0.00 -0.94 0.00 0.00 39.48 40.30 1ael n PHE 55 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ael n ARG 56 N -2.99 0.27 -2.22 -1.08 1.74 -1.26 -5.08 116.66 106.04 1ael n ARG 56 Ca 0.00 0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1ael n ARG 56 Cb 0.00 -0.93 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ael n ASN 57 N -3.67 -4.54 -0.00 0.55 2.85 -1.26 -5.01 115.26 104.18 1ael n ASN 57 Ca -0.07 0.86 -0.00 0.00 -0.11 0.00 0.00 54.58 55.26 1ael n ASN 57 Cb 0.26 -3.62 -0.00 0.00 1.24 0.00 0.00 39.78 37.66 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ael n ILE 58 N 0.57 0.02 -0.88 -1.44 3.06 -1.25 -5.01 119.36 114.42 1ael n ILE 58 Ca -0.06 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 1ael n ILE 58 Cb 0.09 -0.62 0.00 0.00 0.54 0.00 0.00 39.64 39.66 1ael n ILE 58 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1ael n ASP 59 N -2.40 -5.13 -4.46 9.51 -0.08 -1.26 -4.99 116.55 107.75 1ael n ASP 59 Ca -0.00 0.58 -0.32 0.00 -1.51 0.00 0.00 54.79 53.53 1ael n ASP 59 Cb 0.51 -1.85 -0.13 0.00 2.34 0.00 0.00 41.12 41.99 1ael n ASP 59 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ael s VAL 60 N -1.14 2.89 -0.30 5.18 1.01 0.22 -4.91 120.40 123.35 1ael s VAL 60 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1ael s VAL 60 Cb 0.00 -2.16 0.13 0.00 0.00 0.00 0.00 36.38 34.35 1ael s VAL 60 CO 0.00 0.47 0.75 0.54 0.00 0.00 0.00 175.10 176.86 1ael s VAL 61 N -0.82 -0.73 0.00 2.92 0.11 -1.24 -1.63 120.40 119.01 1ael s VAL 61 Ca 0.13 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1ael s VAL 61 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1ael s VAL 61 CO 0.03 0.00 0.00 2.22 -3.33 0.00 0.00 175.10 174.02 1ael n PHE 62 N 5.14 0.00 -2.09 1.54 1.16 -1.26 -4.88 117.46 117.06 1ael n PHE 62 Ca -0.13 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.41 1ael n PHE 62 Cb 0.51 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.33 1ael n PHE 62 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1ael n GLU 63 N -0.11 0.00 0.00 3.97 1.02 -1.26 -4.47 120.64 119.79 1ael n GLU 63 Ca 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 1ael n GLU 63 Cb 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 64 N 0.09 0.00 0.00 -4.62 4.32 -1.26 -4.08 117.00 111.45 1ael n LEU 64 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1ael n LEU 64 Cb 0.77 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 1ael n LEU 64 CO -0.12 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 1ael n GLY 65 N 0.00 -0.94 1.81 -0.72 0.00 -1.21 -2.52 105.19 101.61 1ael n GLY 65 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 1ael n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ael n VAL 66 N 0.00 -4.37 -0.46 1.61 0.31 -1.26 -4.68 118.33 109.48 1ael n VAL 66 Ca 0.00 0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 64.55 1ael n VAL 66 Cb 0.00 -4.74 -0.01 0.00 -0.91 0.00 0.00 33.84 28.18 1ael n VAL 66 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ael n ASP 67 N -0.04 -0.50 0.00 4.52 9.92 -1.26 -4.79 116.55 124.41 1ael n ASP 67 Ca 0.01 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1ael n ASP 67 Cb 0.04 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ael n PHE 68 N -0.05 0.00 -0.49 1.24 3.72 0.32 -4.94 117.46 117.25 1ael n PHE 68 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1ael n PHE 68 Cb 0.09 0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ael n ALA 69 N -1.92 -0.06 0.12 4.37 0.00 -0.45 -4.75 120.51 117.81 1ael n ALA 69 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ael n ALA 69 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1ael n ALA 69 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ael n TYR 70 N -0.34 0.00 -0.61 0.00 4.11 -1.26 -4.50 117.16 114.56 1ael n TYR 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1ael n TYR 70 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 1ael n TYR 70 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1ael n SER 71 N -0.22 0.00 -4.01 9.48 3.41 -1.26 -4.68 113.62 116.34 1ael n SER 71 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.29 1ael n SER 71 Cb 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1ael n SER 71 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ael n LEU 72 N 0.00 3.81 0.00 1.04 -0.00 -1.26 -4.27 117.00 116.31 1ael n LEU 72 Ca 0.00 -5.18 0.00 0.00 -0.00 0.00 0.00 56.01 50.83 1ael n LEU 72 Cb 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 1ael n LEU 72 CO 0.00 1.65 0.00 0.00 -0.00 0.00 0.00 177.39 179.04 1ael n ALA 73 N 2.11 0.00 0.00 1.96 0.00 -1.26 -4.13 120.51 119.19 1ael n ALA 73 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ael n ALA 73 Cb 0.36 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1ael n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ael n ASP 74 N -0.16 0.00 0.00 0.00 8.00 -1.26 -5.10 116.55 118.02 1ael n ASP 74 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ael n ASP 74 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ael n GLY 75 N 0.00 0.00 0.00 0.44 0.00 -1.26 -4.62 105.19 99.76 1ael n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ael n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ael n THR 76 N 0.00 0.00 -3.65 2.61 5.66 -1.26 -4.89 114.28 112.75 1ael n THR 76 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1ael n THR 76 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1ael n THR 76 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1ael s GLU 77 N -1.00 0.04 -0.44 1.09 2.02 -1.26 -4.41 118.70 114.74 1ael s GLU 77 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.07 1ael s GLU 77 Cb 0.00 0.02 0.20 0.00 0.10 0.00 0.00 34.13 34.45 1ael s GLU 77 CO 0.00 -0.01 0.52 -0.11 0.02 0.00 0.00 175.26 175.68 1ael n LEU 78 N 0.80 -1.25 0.02 1.80 0.00 -1.26 -4.17 117.00 112.95 1ael n LEU 78 Ca -0.03 -4.02 -0.04 0.00 0.00 0.00 0.00 56.01 51.93 1ael n LEU 78 Cb 0.58 0.64 -0.03 0.00 0.00 0.00 0.00 43.42 44.62 1ael n LEU 78 CO 0.05 1.94 0.50 0.74 0.00 0.00 0.00 177.39 180.62 1ael h THR 79 N 3.97 0.00 -3.25 1.96 2.02 -1.86 -1.20 112.91 114.55 1ael h THR 79 Ca 0.14 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.88 1ael h THR 79 Cb 0.96 0.00 0.22 0.00 -1.74 0.00 0.00 68.15 67.58 1ael h THR 79 CO 0.31 0.00 0.00 -0.83 0.37 0.00 0.00 175.52 175.37 1ael s GLY 80 N -1.31 1.55 0.00 2.16 0.00 -1.19 0.12 107.32 108.64 1ael s GLY 80 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1ael s GLY 80 CO 0.15 0.63 0.00 -1.30 0.00 0.00 0.00 173.10 172.59 1ael n THR 81 N -4.97 0.00 -4.02 0.90 -2.24 -1.26 -3.96 114.28 98.72 1ael n THR 81 Ca 0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1ael n THR 81 Cb 0.54 -0.55 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1ael n THR 81 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ael s TRP 82 N -0.26 0.01 0.00 4.78 0.52 -1.25 -3.45 118.94 119.29 1ael s TRP 82 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.06 1ael s TRP 82 Cb 0.00 0.53 0.00 0.00 -1.15 0.00 0.00 33.47 32.85 1ael s TRP 82 CO 0.00 -0.12 0.00 0.25 0.02 0.00 0.00 176.95 177.10 1ael n THR 83 N -0.96 0.00 -0.66 2.01 -2.24 -1.05 -3.30 114.28 108.08 1ael n THR 83 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ael n THR 83 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1ael n THR 83 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1ael n MET 84 N 0.00 3.32 -0.84 -0.78 0.00 -1.26 -2.34 117.12 115.23 1ael n MET 84 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 1ael n MET 84 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1ael n MET 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ael n GLU 85 N 0.00 0.00 0.00 3.17 2.13 -0.34 -4.80 120.64 120.80 1ael n GLU 85 Ca 0.00 -0.69 0.00 0.00 0.66 0.00 0.00 57.16 57.13 1ael n GLU 85 Cb 0.00 0.37 0.00 0.00 0.27 0.00 0.00 31.44 32.08 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ael n GLY 86 N 0.00 2.82 1.23 8.31 0.00 -1.26 -4.67 105.19 111.62 1ael n GLY 86 Ca -0.19 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.23 1ael n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 87 N 2.34 3.84 0.00 1.61 5.15 -1.26 -4.98 115.26 121.96 1ael n ASN 87 Ca 0.00 -2.06 0.00 0.00 -0.60 0.00 0.00 54.58 51.92 1ael n ASN 87 Cb 0.00 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ael n LYS 88 N 1.33 0.00 -0.18 1.20 2.85 -1.21 -4.60 118.16 117.55 1ael n LYS 88 Ca 0.22 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.31 1ael n LYS 88 Cb 0.62 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 35.15 1ael n LYS 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ael n LEU 89 N 0.00 0.00 -3.06 -5.58 0.00 -1.26 -1.20 117.00 105.90 1ael n LEU 89 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 56.01 55.54 1ael n LEU 89 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 43.42 42.88 1ael n LEU 89 CO 0.00 -2.16 0.29 -0.69 0.00 0.00 0.00 177.39 174.82 1ael s VAL 90 N -1.66 -0.62 0.17 1.96 1.01 -0.99 -4.45 120.40 115.81 1ael s VAL 90 Ca 0.37 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.45 1ael s VAL 90 Cb -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 36.38 36.19 1ael s VAL 90 CO 0.30 0.00 1.17 1.23 0.00 0.00 0.00 175.10 177.81 1ael h GLY 91 N 6.76 0.00 -0.03 4.51 0.00 0.47 -2.90 103.07 111.88 1ael h GLY 91 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ael h GLY 91 CO 0.02 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.84 1ael n LYS 92 N -2.03 -0.03 -2.17 4.80 4.76 -1.22 -4.29 118.16 117.98 1ael n LYS 92 Ca -0.01 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1ael n LYS 92 Cb 0.47 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1ael n LYS 92 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1ael n PHE 93 N -0.26 0.00 0.00 2.13 1.16 -1.25 -3.46 117.46 115.78 1ael n PHE 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ael n PHE 93 Cb 0.01 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 1ael n PHE 93 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 94 N 0.00 0.00 0.00 3.97 5.02 -1.16 -3.20 118.16 122.79 1ael n LYS 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ael n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ael n LYS 94 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ael n ARG 95 N 0.00 0.93 -0.03 1.97 5.12 -1.25 -3.80 116.66 119.60 1ael n ARG 95 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 1ael n ARG 95 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ael n VAL 96 N -1.12 0.30 -0.34 1.55 0.31 -1.26 -2.56 118.33 115.21 1ael n VAL 96 Ca 0.00 -0.11 0.36 0.00 -0.01 0.00 0.00 64.34 64.58 1ael n VAL 96 Cb 0.00 -0.80 0.74 0.00 -0.91 0.00 0.00 33.84 32.87 1ael n VAL 96 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ael h ASP 97 N -0.03 0.00 0.00 4.52 3.58 -1.90 -3.37 116.42 119.22 1ael h ASP 97 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1ael h ASP 97 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1ael h ASP 97 CO -0.03 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.13 1ael n ASN 98 N -4.05 0.00 -0.13 2.28 2.85 -1.26 -5.01 115.26 109.94 1ael n ASN 98 Ca 0.27 -0.18 -0.01 0.00 -0.11 0.00 0.00 54.58 54.55 1ael n ASN 98 Cb 1.33 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 42.34 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ael n GLY 99 N 0.00 0.37 2.88 8.20 0.00 -1.06 -4.86 105.19 110.72 1ael n GLY 99 Ca 0.00 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1ael n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 100 N -1.68 0.00 -3.01 1.61 4.01 -1.26 -4.22 118.16 113.61 1ael n LYS 100 Ca -0.01 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.57 1ael n LYS 100 Cb 0.37 -0.96 -0.03 0.00 -0.51 0.00 0.00 35.03 33.90 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ael n GLU 101 N 2.40 2.05 0.00 1.97 4.71 -1.04 -2.97 120.64 127.77 1ael n GLU 101 Ca -0.02 -4.04 0.00 0.00 -0.01 0.00 0.00 57.16 53.09 1ael n GLU 101 Cb 0.70 -1.92 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1ael n GLU 101 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 102 N -0.00 0.00 0.00 -4.62 4.77 -1.26 -0.62 117.00 115.27 1ael n LEU 102 Ca 0.27 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1ael n LEU 102 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ael n LEU 102 CO 0.27 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.95 1ael n ILE 103 N -0.96 0.00 0.00 -0.08 2.08 -1.22 0.45 119.36 119.62 1ael n ILE 103 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 103 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N -0.08 0.00 -2.59 -1.39 0.00 -1.25 0.21 120.51 115.42 1ael n ALA 104 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ael n ALA 104 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ael n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ael s VAL 105 N 0.00 4.70 0.12 0.00 0.11 0.58 -0.77 120.40 125.14 1ael s VAL 105 Ca 0.00 0.97 0.32 0.00 -2.93 0.00 0.00 61.98 60.34 1ael s VAL 105 Cb 0.00 -4.24 0.37 0.00 -1.53 0.00 0.00 36.38 30.97 1ael s VAL 105 CO 0.00 -0.46 1.97 -0.09 -3.33 0.00 0.00 175.10 173.19 1ael h ARG 106 N 8.47 0.00 0.00 1.54 9.65 -1.75 -2.46 114.38 129.83 1ael h ARG 106 Ca -0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1ael h ARG 106 Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1ael h ARG 106 CO 0.93 0.04 0.00 0.39 2.80 0.00 0.00 179.97 184.13 1ael n GLU 107 N -3.16 0.00 -1.27 0.20 1.02 -1.26 0.30 120.64 116.47 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 107 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ael n ILE 108 N 0.00 -4.75 -3.64 -3.67 3.06 -1.26 -3.32 119.36 105.78 1ael n ILE 108 Ca 0.00 0.77 -0.07 0.00 -2.50 0.00 0.00 62.75 60.95 1ael n ILE 108 Cb 0.00 -3.65 -0.07 0.00 0.54 0.00 0.00 39.64 36.46 1ael n ILE 108 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ael s SER 109 N -0.14 -0.69 0.43 9.51 0.15 -1.26 -4.83 113.70 116.88 1ael s SER 109 Ca 0.00 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1ael s SER 109 Cb 0.00 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1ael s SER 109 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ael n GLY 110 N 3.55 -0.13 3.76 9.45 0.00 -1.26 -4.32 105.19 116.23 1ael n GLY 110 Ca -0.17 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1ael n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ael s ASN 111 N -4.00 6.79 0.00 1.61 6.03 -1.26 -4.88 114.94 119.23 1ael s ASN 111 Ca 0.00 2.61 0.00 0.00 -1.03 0.00 0.00 52.86 54.44 1ael s ASN 111 Cb 0.00 -2.63 0.00 0.00 -3.03 0.00 0.00 41.25 35.59 1ael s ASN 111 CO 0.00 -0.56 0.00 -1.84 -2.03 0.00 0.00 177.10 172.67 1ael n GLU 112 N 1.60 -1.95 0.00 3.55 0.00 -1.26 -5.00 120.64 117.58 1ael n GLU 112 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1ael n GLU 112 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.86 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ael n LEU 113 N 0.00 0.00 -1.61 -1.84 4.77 -1.26 -4.75 117.00 112.31 1ael n LEU 113 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1ael n LEU 113 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1ael n LEU 113 CO 0.00 0.00 1.03 -0.38 -1.33 0.00 0.00 177.39 176.71 1ael n ILE 114 N 0.00 2.21 0.00 -0.08 2.08 0.87 -3.78 119.36 120.66 1ael n ILE 114 Ca 0.00 -0.91 0.00 0.00 0.56 0.00 0.00 62.75 62.40 1ael n ILE 114 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 1ael n ILE 114 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n GLN 115 N 0.89 0.00 -3.15 0.38 1.13 -0.97 -4.31 117.38 111.35 1ael n GLN 115 Ca 0.13 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 1ael n GLN 115 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.91 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1ael n THR 116 N -0.07 -0.99 -3.31 5.09 -1.04 -0.97 0.22 114.28 113.21 1ael n THR 116 Ca 0.00 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.51 1ael n THR 116 Cb 0.00 -0.87 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 1ael n THR 116 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ael s TYR 117 N -2.86 3.21 -1.13 -1.42 1.51 -1.17 -2.90 117.35 112.58 1ael s TYR 117 Ca 0.04 -1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 55.03 1ael s TYR 117 Cb -0.02 -3.52 0.21 0.00 -0.11 0.00 0.00 41.96 38.51 1ael s TYR 117 CO 0.30 -0.95 2.16 2.41 -1.11 0.00 0.00 175.55 178.36 1ael n THR 118 N 5.29 5.43 0.00 -0.71 -1.04 1.55 -1.61 114.28 123.19 1ael n THR 118 Ca -0.12 -4.93 0.00 0.00 -2.04 0.00 0.00 64.05 56.95 1ael n THR 118 Cb 0.42 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 1ael n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ael n TYR 119 N 0.84 0.00 -1.46 -1.42 4.11 0.21 -3.79 117.16 115.65 1ael n TYR 119 Ca 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.44 1ael n TYR 119 Cb 0.27 -0.43 -0.01 0.00 -0.00 0.00 0.00 39.34 39.17 1ael n TYR 119 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1ael n GLU 120 N -1.43 0.00 -0.25 -3.48 4.07 -1.26 -2.50 120.64 115.80 1ael n GLU 120 Ca 0.00 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1ael n GLU 120 Cb 0.06 0.31 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ael n GLY 121 N 0.00 0.85 0.38 8.31 0.00 -1.25 -4.99 105.19 108.49 1ael n GLY 121 Ca -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1ael n GLY 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ael n VAL 122 N -2.25 0.56 -0.91 1.61 0.31 -1.26 -5.11 118.33 111.29 1ael n VAL 122 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1ael n VAL 122 Cb 0.00 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1ael n VAL 122 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ael n GLU 123 N -3.15 -2.20 -4.07 5.55 2.13 -1.05 -4.91 120.64 112.94 1ael n GLU 123 Ca -0.04 1.69 -0.32 0.00 0.66 0.00 0.00 57.16 59.15 1ael n GLU 123 Cb 0.14 -1.72 -0.16 0.00 0.27 0.00 0.00 31.44 29.97 1ael n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ael s ALA 124 N -0.96 2.18 0.00 4.31 0.00 -0.63 -4.32 121.76 122.34 1ael s ALA 124 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1ael s ALA 124 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1ael s ALA 124 CO 0.00 -0.49 0.00 1.63 0.00 0.00 0.00 175.76 176.90 1ael n LYS 125 N 4.66 0.00 0.00 0.00 4.01 -1.26 -2.91 118.16 122.65 1ael n LYS 125 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1ael n LYS 125 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1ael n LYS 125 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ael n ARG 126 N 0.00 0.00 0.00 1.97 5.12 -1.26 0.20 116.66 122.68 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ael n ILE 127 N 0.00 0.00 -0.99 0.55 -0.00 -1.26 -4.77 119.36 112.89 1ael n ILE 127 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1ael n ILE 127 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 39.64 39.71 1ael n ILE 127 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1ael n PHE 128 N -1.11 -3.31 -0.53 1.39 1.16 -1.24 0.12 117.46 113.93 1ael n PHE 128 Ca 0.00 0.14 0.06 0.00 -1.87 0.00 0.00 57.45 55.78 1ael n PHE 128 Cb 0.00 -1.62 0.14 0.00 -1.61 0.00 0.00 39.48 36.39 1ael n PHE 128 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1ael n LYS 129 N 0.70 2.58 0.00 3.97 0.00 -1.26 -3.39 118.16 120.77 1ael n LYS 129 Ca 0.03 -2.23 0.00 0.00 0.00 0.00 0.00 58.31 56.11 1ael n LYS 129 Cb 0.54 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.17 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ael n LYS 130 N -0.42 0.00 0.00 1.64 0.00 -1.26 -4.61 118.16 113.51 1ael n LYS 130 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1ael n LYS 130 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49