#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 0.00 0.00 3.72 -1.26 -4.75 117.46 115.17 1ael n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ael n PHE 2 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1ael n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ael n ASP 3 N -0.25 0.00 0.00 4.37 8.00 -1.19 -4.51 116.55 122.97 1ael n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ael n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ael n GLY 4 N 0.00 0.36 3.94 0.44 0.00 0.64 -4.94 105.19 105.64 1ael n GLY 4 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.18 4.16 -0.06 2.61 -4.23 -1.26 0.14 115.64 114.82 1ael s THR 5 Ca 0.00 -1.11 -0.32 0.00 -1.18 0.00 0.00 61.69 59.09 1ael s THR 5 Cb 0.00 -3.43 0.13 0.00 1.34 0.00 0.00 72.50 70.54 1ael s THR 5 CO 0.00 -0.20 1.29 0.26 -0.54 0.00 0.00 174.62 175.43 1ael s TRP 6 N -2.17 -0.05 0.00 3.99 0.23 -1.26 -4.03 118.94 115.64 1ael s TRP 6 Ca 0.42 -0.03 0.00 0.00 -2.03 0.00 0.00 56.10 54.45 1ael s TRP 6 Cb -0.08 0.54 0.00 0.00 0.03 0.00 0.00 33.47 33.95 1ael s TRP 6 CO 0.29 -0.24 0.00 1.63 0.96 0.00 0.00 176.95 179.60 1ael n LYS 7 N -0.41 0.00 -2.87 4.98 5.02 -1.26 -2.06 118.16 121.56 1ael n LYS 7 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1ael n LYS 7 Cb 0.62 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.67 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 -0.12 -0.38 -0.18 0.31 -1.26 -3.66 118.33 113.04 1ael n VAL 8 Ca 0.00 -2.30 0.30 0.00 -0.01 0.00 0.00 64.34 62.33 1ael n VAL 8 Cb 0.00 0.75 0.57 0.00 -0.91 0.00 0.00 33.84 34.25 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 3.50 0.36 -5.37 4.52 3.58 0.49 -3.41 116.42 120.09 1ael h ASP 9 Ca -0.06 0.15 -0.34 0.00 0.42 0.00 0.00 57.03 57.19 1ael h ASP 9 Cb 1.03 0.11 -0.14 0.00 1.72 0.00 0.00 39.33 42.04 1ael h ASP 9 CO 0.30 -0.13 -0.57 0.00 -2.88 0.00 0.00 179.24 175.96 1ael s ARG 10 N -5.44 1.44 -0.28 0.28 3.03 -0.94 -5.00 118.95 112.04 1ael s ARG 10 Ca -0.09 -1.80 -0.01 0.00 2.03 0.00 0.00 55.73 55.87 1ael s ARG 10 Cb 0.29 0.15 0.13 0.00 -1.03 0.00 0.00 34.95 34.50 1ael s ARG 10 CO 0.81 -0.46 0.29 0.54 -1.13 0.00 0.00 175.30 175.35 1ael s ASN 11 N -3.27 1.64 -0.07 -2.89 2.20 -1.26 -4.26 114.94 107.03 1ael s ASN 11 Ca 0.38 -0.70 -0.01 0.00 -0.94 0.00 0.00 52.86 51.60 1ael s ASN 11 Cb 0.05 0.50 -0.03 0.00 -2.00 0.00 0.00 41.25 39.78 1ael s ASN 11 CO 0.17 -0.38 -0.02 -0.70 -2.94 0.00 0.00 177.10 173.22 1ael s GLU 12 N 2.36 2.87 0.00 3.55 2.56 0.18 -4.37 118.70 125.85 1ael s GLU 12 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 54.97 54.58 1ael s GLU 12 Cb -0.14 -2.70 0.00 0.00 2.00 0.00 0.00 34.13 33.28 1ael s GLU 12 CO -0.31 0.68 0.00 0.09 -0.56 0.00 0.00 175.26 175.16 1ael n ASN 13 N 2.10 -3.13 -0.06 -1.70 5.03 -1.26 -1.86 115.26 114.38 1ael n ASN 13 Ca -0.18 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.14 1ael n ASN 13 Cb 0.53 -2.38 -0.06 0.00 -1.02 0.00 0.00 39.78 36.85 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1ael h TYR 14 N 0.00 0.43 -0.16 3.10 5.03 -1.88 -2.34 116.97 121.15 1ael h TYR 14 Ca 0.00 -0.12 0.04 0.00 2.58 0.00 0.00 58.73 61.23 1ael h TYR 14 Cb 0.45 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.59 1ael h TYR 14 CO 0.28 0.71 -0.11 0.93 -1.32 0.00 0.00 178.16 178.65 1ael h GLU 15 N 0.03 -0.10 0.00 1.82 4.39 -1.90 -2.74 114.58 116.08 1ael h GLU 15 Ca 0.03 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 1ael h GLU 15 Cb 0.61 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 1ael h GLU 15 CO 0.03 -0.07 -0.84 -0.22 -1.16 0.00 0.00 179.01 176.75 1ael h LYS 16 N -0.11 0.00 -0.98 2.33 3.64 -2.00 -3.14 116.57 116.31 1ael h LYS 16 Ca 0.10 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.69 1ael h LYS 16 Cb 0.25 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 1ael h LYS 16 CO -0.23 0.84 0.62 0.35 -2.27 0.00 0.00 179.45 178.77 1ael h PHE 17 N 0.00 0.83 0.00 1.91 3.57 -1.12 -0.57 116.94 121.55 1ael h PHE 17 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ael h PHE 17 Cb 1.56 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1ael h PHE 17 CO 0.00 0.17 -0.00 0.52 -2.23 0.00 0.00 178.31 176.77 1ael h MET 18 N 0.58 0.00 -0.81 1.11 2.86 -1.60 -3.37 114.93 113.70 1ael h MET 18 Ca 0.55 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.39 1ael h MET 18 Cb 1.12 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.65 1ael h MET 18 CO -0.31 0.48 0.11 1.49 1.06 0.00 0.00 176.91 179.74 1ael h GLU 19 N -1.00 0.16 0.00 1.72 4.57 -1.38 -1.80 114.58 116.85 1ael h GLU 19 Ca -0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1ael h GLU 19 Cb 0.48 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1ael h GLU 19 CO -0.00 0.10 -0.12 0.87 -1.18 0.00 0.00 179.01 178.68 1ael h LYS 20 N 0.16 0.00 -0.01 1.92 1.79 -1.28 -1.47 116.57 117.68 1ael h LYS 20 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1ael h LYS 20 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1ael h LYS 20 CO -0.65 0.12 0.00 0.00 -1.08 0.00 0.00 179.45 177.84 1ael n MET 21 N -3.57 1.25 0.00 3.15 0.00 -0.69 -4.84 117.12 112.41 1ael n MET 21 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 57.70 57.32 1ael n MET 21 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1ael n MET 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ael n GLY 22 N 1.06 1.30 3.56 3.17 0.00 -0.57 -4.83 105.19 108.88 1ael n GLY 22 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.29 0.26 -0.61 1.09 -1.09 -4.89 121.20 117.25 1ael s ILE 23 Ca 0.00 0.19 -0.04 0.00 -1.10 0.00 0.00 60.65 59.69 1ael s ILE 23 Cb 0.00 -3.69 0.06 0.00 -1.06 0.00 0.00 42.46 37.77 1ael s ILE 23 CO 0.00 -0.65 0.32 -0.46 -0.10 0.00 0.00 174.94 174.05 1ael n ASN 24 N 13.20 -0.26 0.33 3.58 6.94 -1.26 -4.36 115.26 133.43 1ael n ASN 24 Ca 0.24 -1.02 0.18 0.00 -0.02 0.00 0.00 54.58 53.96 1ael n ASN 24 Cb 0.52 -0.25 0.95 0.00 -2.36 0.00 0.00 39.78 38.64 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1ael h VAL 25 N -1.33 0.00 -0.02 3.53 -1.51 -2.00 -3.10 116.25 111.81 1ael h VAL 25 Ca -0.11 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1ael h VAL 25 Cb 0.30 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1ael h VAL 25 CO 0.07 0.00 0.34 -0.37 -1.23 0.00 0.00 177.57 176.38 1ael h VAL 26 N 0.00 0.02 0.00 7.19 -1.51 -1.97 1.02 116.25 121.00 1ael h VAL 26 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 1ael h VAL 26 Cb 0.42 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 1ael h VAL 26 CO 0.00 0.00 -0.19 0.07 -1.23 0.00 0.00 177.57 176.22 1ael h LYS 27 N 0.00 0.00 -0.03 5.19 2.10 -1.76 -3.19 116.57 118.87 1ael h LYS 27 Ca 0.01 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1ael h LYS 27 Cb 0.68 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1ael h LYS 27 CO -0.00 0.19 0.19 0.07 -2.00 0.00 0.00 179.45 177.90 1ael h ARG 28 N 0.00 0.00 0.00 0.07 0.11 0.85 -2.84 114.38 112.58 1ael h ARG 28 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ael h ARG 28 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1ael h ARG 28 CO 0.02 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.72 1ael n LYS 29 N -3.10 0.00 -4.35 0.08 4.01 -1.21 -5.01 118.16 108.59 1ael n LYS 29 Ca -0.02 0.14 -0.18 0.00 -0.51 0.00 0.00 58.31 57.75 1ael n LYS 29 Cb 0.26 -0.77 -0.10 0.00 -0.51 0.00 0.00 35.03 33.91 1ael n LYS 29 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1ael s LEU 30 N -1.85 1.73 0.00 -0.35 2.96 -1.07 -5.13 118.68 114.98 1ael s LEU 30 Ca 0.00 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.50 1ael s LEU 30 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.66 1ael s LEU 30 CO 0.00 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 1ael n GLY 31 N -0.52 2.02 2.11 7.98 0.00 -1.26 -4.46 105.19 111.06 1ael n GLY 31 Ca -0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1ael n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ael n ALA 32 N 0.35 -0.01 -0.41 4.61 0.00 -1.26 -4.86 120.51 118.94 1ael n ALA 32 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1ael n ALA 32 Cb 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 19.45 19.27 1ael n ALA 32 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ael n HIS 33 N -2.89 0.40 -1.61 0.00 -0.00 -1.26 -5.03 115.22 104.84 1ael n HIS 33 Ca -0.01 -0.64 -0.63 0.00 -0.00 0.00 0.00 57.72 56.45 1ael n HIS 33 Cb 0.07 -0.11 -0.10 0.00 -0.00 0.00 0.00 29.99 29.85 1ael n HIS 33 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1ael n ASP 34 N -0.17 1.45 -3.39 4.39 -0.08 -1.26 -4.83 116.55 112.67 1ael n ASP 34 Ca 0.11 1.00 0.02 0.00 -1.51 0.00 0.00 54.79 54.41 1ael n ASP 34 Cb 0.51 -0.97 -0.04 0.00 2.34 0.00 0.00 41.12 42.96 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1ael s ASN 35 N 4.11 -0.62 0.00 1.67 3.84 -1.26 -4.79 114.94 117.88 1ael s ASN 35 Ca 1.07 0.80 0.00 0.00 0.21 0.00 0.00 52.86 54.94 1ael s ASN 35 Cb -1.36 1.69 0.00 0.00 -0.55 0.00 0.00 41.25 41.03 1ael s ASN 35 CO 0.72 -0.12 0.00 -0.11 -2.79 0.00 0.00 177.10 174.81 1ael n LEU 36 N 5.05 0.00 -3.05 3.21 7.94 -1.26 -3.62 117.00 125.28 1ael n LEU 36 Ca -0.09 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.82 1ael n LEU 36 Cb 0.52 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.47 1ael n LEU 36 CO -0.05 0.00 0.22 -0.75 -1.11 0.00 0.00 177.39 175.70 1ael s LYS 37 N 0.00 0.62 0.20 1.96 2.20 -1.25 -4.55 119.74 118.91 1ael s LYS 37 Ca 0.00 -0.23 -0.11 0.00 -0.36 0.00 0.00 55.97 55.27 1ael s LYS 37 Cb 0.00 0.07 0.22 0.00 -1.51 0.00 0.00 37.83 36.61 1ael s LYS 37 CO 0.00 -0.89 1.76 1.25 -0.36 0.00 0.00 175.35 177.11 1ael h LEU 38 N 6.39 0.28 -0.75 5.43 7.12 -1.60 -2.47 115.31 129.71 1ael h LEU 38 Ca 0.02 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.13 1ael h LEU 38 Cb 1.19 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 1ael h LEU 38 CO 0.04 0.18 -0.95 0.41 -0.13 0.00 0.00 178.44 177.99 1ael n THR 39 N -4.95 -2.50 -3.64 1.05 -1.04 -0.91 0.42 114.28 102.71 1ael n THR 39 Ca 0.07 1.31 -0.11 0.00 -2.04 0.00 0.00 64.05 63.28 1ael n THR 39 Cb 0.22 -2.16 -0.11 0.00 -1.82 0.00 0.00 70.33 66.45 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 -5.20 -0.55 0.00 12.58 1.01 0.38 -3.09 121.20 126.34 1ael s ILE 40 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1ael s ILE 40 Cb 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1ael s ILE 40 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 174.94 175.42 1ael n THR 41 N 5.37 0.00 -3.64 2.92 -1.04 -1.20 0.23 114.28 116.93 1ael n THR 41 Ca -0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.86 1ael n THR 41 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 1ael n THR 41 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ael s GLN 42 N 3.79 0.66 0.00 -2.82 -0.44 -1.26 -4.39 119.66 115.20 1ael s GLN 42 Ca 0.00 1.06 0.00 0.00 -2.50 0.00 0.00 55.36 53.92 1ael s GLN 42 Cb 0.00 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.55 1ael s GLN 42 CO 0.00 -0.13 0.00 0.39 0.50 0.00 0.00 175.29 176.05 1ael n GLU 43 N 3.84 0.72 -2.02 1.67 -0.58 0.14 -4.87 120.64 119.54 1ael n GLU 43 Ca -0.18 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.29 1ael n GLU 43 Cb 0.58 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.39 1ael n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ael s GLY 44 N -0.84 0.05 0.00 0.62 0.00 -1.26 -4.13 107.32 101.76 1ael s GLY 44 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.75 1ael s GLY 44 CO 0.00 3.62 0.00 0.70 0.00 0.00 0.00 173.10 177.42 1ael n ASN 45 N 14.82 0.00 -4.03 1.64 3.02 -1.26 -4.96 115.26 124.50 1ael n ASN 45 Ca 0.44 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.68 1ael n ASN 45 Cb 0.47 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.74 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ael n LYS 46 N 0.00 -0.97 -3.66 3.52 4.81 -1.26 -4.56 118.16 116.04 1ael n LYS 46 Ca 0.00 -0.28 -0.11 0.00 -0.87 0.00 0.00 58.31 57.05 1ael n LYS 46 Cb 0.00 -1.34 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1ael s PHE 47 N -2.10 -0.82 -1.32 5.64 -0.12 -1.23 0.25 117.98 118.28 1ael s PHE 47 Ca 0.41 1.80 -0.17 0.00 -0.05 0.00 0.00 56.93 58.92 1ael s PHE 47 Cb -0.01 0.38 0.06 0.00 -0.63 0.00 0.00 43.02 42.82 1ael s PHE 47 CO 0.56 -0.40 1.84 2.41 -0.05 0.00 0.00 175.22 179.58 1ael n THR 48 N 3.49 3.78 -3.46 -4.49 -1.04 -1.26 -3.66 114.28 107.64 1ael n THR 48 Ca -0.17 -3.81 -0.33 0.00 -2.04 0.00 0.00 64.05 57.70 1ael n THR 48 Cb 0.57 -2.40 -0.05 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 4.22 4.97 0.00 12.58 1.01 -1.13 -3.24 120.40 138.82 1ael s VAL 49 Ca 0.53 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1ael s VAL 49 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ael s VAL 49 CO 0.05 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.46 1ael n LYS 50 N 0.11 0.00 0.00 2.72 5.02 0.61 -1.49 118.16 125.13 1ael n LYS 50 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ael n LYS 50 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1ael n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ael n GLU 51 N 0.00 0.00 0.00 1.97 2.13 0.17 -0.89 120.64 124.01 1ael n GLU 51 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1ael n GLU 51 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1ael n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ael n SER 52 N 0.00 1.43 -0.26 4.31 2.88 -0.97 -3.07 113.62 117.94 1ael n SER 52 Ca 0.00 -1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 56.37 1ael n SER 52 Cb 0.00 0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ael n SER 53 N -0.54 0.04 -0.83 -3.46 3.41 -1.26 -3.38 113.62 107.60 1ael n SER 53 Ca 0.09 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1ael n SER 53 Cb 0.40 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.18 -0.08 0.00 4.04 2.85 -1.24 -1.58 115.26 119.42 1ael n ASN 54 Ca 0.02 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1ael n ASN 54 Cb -0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1ael n ASN 54 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1ael n PHE 55 N 0.65 0.00 -2.95 1.20 7.35 -1.25 -4.55 117.46 117.91 1ael n PHE 55 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 1ael n PHE 55 Cb 0.02 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.81 1ael n PHE 55 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ael n ARG 56 N 0.00 3.30 -1.42 -4.13 1.74 -0.62 -5.02 116.66 110.50 1ael n ARG 56 Ca 0.00 -4.86 -0.54 0.00 -0.77 0.00 0.00 57.85 51.68 1ael n ARG 56 Cb 0.00 -2.25 -0.08 0.00 -1.02 0.00 0.00 32.46 29.11 1ael n ARG 56 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ael n ASN 57 N -0.20 1.78 0.00 0.55 0.23 -1.22 -4.37 115.26 112.03 1ael n ASN 57 Ca 0.31 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.93 1ael n ASN 57 Cb 0.39 -1.15 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 1ael n ASN 57 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ael n ILE 58 N 6.70 0.00 -4.62 1.53 0.13 -1.17 -4.95 119.36 116.97 1ael n ILE 58 Ca 0.43 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.83 1ael n ILE 58 Cb 0.14 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.78 1ael n ILE 58 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1ael s ASP 59 N 0.00 1.85 -0.11 9.51 -4.77 -1.25 -2.79 116.67 119.11 1ael s ASP 59 Ca 0.00 -0.31 0.01 0.00 -3.30 0.00 0.00 52.55 48.95 1ael s ASP 59 Cb 0.00 -0.86 0.02 0.00 -1.09 0.00 0.00 42.92 40.99 1ael s ASP 59 CO 0.00 0.04 -0.13 -0.69 0.70 0.00 0.00 175.17 175.10 1ael s VAL 60 N 0.64 1.32 -0.12 2.11 1.01 -0.07 -4.98 120.40 120.31 1ael s VAL 60 Ca -0.15 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1ael s VAL 60 Cb -0.16 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1ael s VAL 60 CO 0.04 0.41 -0.17 0.54 0.00 0.00 0.00 175.10 175.92 1ael s VAL 61 N 1.18 2.73 -0.28 2.92 0.11 -1.26 -2.83 120.40 122.97 1ael s VAL 61 Ca -0.03 -0.78 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 1ael s VAL 61 Cb -0.14 -2.12 0.11 0.00 -1.53 0.00 0.00 36.38 32.70 1ael s VAL 61 CO -0.04 0.54 0.90 0.72 -3.33 0.00 0.00 175.10 173.89 1ael s PHE 62 N 0.33 -0.66 -0.26 1.54 -0.71 -1.24 -4.97 117.98 112.00 1ael s PHE 62 Ca -0.13 1.47 -0.18 0.00 -1.04 0.00 0.00 56.93 57.05 1ael s PHE 62 Cb -0.17 0.39 -0.19 0.00 -1.21 0.00 0.00 43.02 41.84 1ael s PHE 62 CO 0.07 -0.32 1.36 0.39 -1.34 0.00 0.00 175.22 175.38 1ael n GLU 63 N 3.07 0.02 0.00 1.99 1.02 -1.26 -3.52 120.64 121.96 1ael n GLU 63 Ca -0.16 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1ael n GLU 63 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 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 9.64 0.00 -3.67 -4.62 7.99 -1.26 -4.56 117.00 120.52 1ael n LEU 64 Ca 0.27 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 56.16 1ael n LEU 64 Cb 0.40 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.60 1ael n LEU 64 CO 0.71 0.00 -0.04 -0.83 -1.51 0.00 0.00 177.39 175.73 1ael s GLY 65 N 0.00 -0.25 -0.02 -0.72 0.00 -1.24 -1.34 107.32 103.75 1ael s GLY 65 Ca 0.00 1.27 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1ael s GLY 65 CO 0.00 2.08 -0.01 -1.34 0.00 0.00 0.00 173.10 173.83 1ael s VAL 66 N 2.30 0.21 0.61 1.40 -7.23 -1.26 -4.80 120.40 111.62 1ael s VAL 66 Ca -0.02 -0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 59.94 1ael s VAL 66 Cb -0.11 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1ael s VAL 66 CO -0.11 0.11 1.31 1.51 -0.31 0.00 0.00 175.10 177.61 1ael s ASP 67 N 0.51 4.86 0.00 4.85 1.47 -1.26 -4.35 116.67 122.75 1ael s ASP 67 Ca -0.05 2.66 0.00 0.00 1.18 0.00 0.00 52.55 56.34 1ael s ASP 67 Cb -0.08 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.88 1ael s ASP 67 CO -0.01 -1.84 0.00 0.49 0.68 0.00 0.00 175.17 174.49 1ael n PHE 68 N -1.59 0.00 0.00 2.11 3.72 -0.87 -4.99 117.46 115.83 1ael n PHE 68 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1ael n PHE 68 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.87 0.00 -3.48 4.37 0.00 -1.26 -4.84 120.51 112.44 1ael n ALA 69 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1ael n ALA 69 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1ael n ALA 69 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ael s TYR 70 N -0.29 0.80 1.26 0.00 1.13 -1.26 -4.75 117.35 114.23 1ael s TYR 70 Ca 0.00 -0.22 -0.21 0.00 -1.41 0.00 0.00 57.07 55.23 1ael s TYR 70 Cb 0.00 -0.66 0.32 0.00 -1.10 0.00 0.00 41.96 40.52 1ael s TYR 70 CO 0.00 -0.17 0.73 -1.13 -2.51 0.00 0.00 175.55 172.47 1ael n SER 71 N 3.83 -3.85 -4.03 -0.18 3.41 -1.25 -0.35 113.62 111.21 1ael n SER 71 Ca -0.24 -0.73 -0.43 0.00 -0.26 0.00 0.00 58.87 57.21 1ael n SER 71 Cb 0.52 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 6.29 0.00 1.04 -0.00 -1.26 -4.58 117.00 118.49 1ael n LEU 72 Ca 0.12 -4.73 0.00 0.00 -0.00 0.00 0.00 56.01 51.40 1ael n LEU 72 Cb 0.50 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 1ael n LEU 72 CO 0.33 1.31 0.00 0.00 -0.00 0.00 0.00 177.39 179.03 1ael n ALA 73 N 3.71 0.00 -3.72 1.96 0.00 -1.26 -4.49 120.51 116.71 1ael n ALA 73 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 1ael n ALA 73 Cb 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 1ael n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ael s ASP 74 N 0.00 2.66 0.00 0.00 2.15 -1.26 -5.00 116.67 115.21 1ael s ASP 74 Ca 0.00 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.49 1ael s ASP 74 Cb 0.00 -1.20 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1ael s ASP 74 CO 0.00 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 1ael n GLY 75 N 4.26 0.08 0.00 2.66 0.00 -1.26 -4.80 105.19 106.12 1ael n GLY 75 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.61 5.66 -1.26 -4.95 114.28 116.33 1ael n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ael n THR 76 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ael n GLU 77 N -1.18 0.00 -2.66 1.09 1.02 -1.26 -3.77 120.64 113.88 1ael n GLU 77 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1ael n GLU 77 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 78 N 0.00 1.48 -0.56 -4.62 4.32 0.52 -3.90 117.00 114.24 1ael n LEU 78 Ca 0.00 -3.73 0.46 0.00 -0.02 0.00 0.00 56.01 52.72 1ael n LEU 78 Cb 0.00 0.42 0.71 0.00 -1.62 0.00 0.00 43.42 42.93 1ael n LEU 78 CO 0.00 1.57 1.43 0.00 -1.22 0.00 0.00 177.39 179.16 1ael h THR 79 N 3.00 0.01 -0.22 -5.08 1.03 -1.70 -3.36 112.91 106.58 1ael h THR 79 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1ael h THR 79 Cb 1.18 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1ael h THR 79 CO 0.50 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.62 1ael n GLY 80 N -1.87 -1.23 0.00 2.99 0.00 -0.69 -2.06 105.19 102.34 1ael n GLY 80 Ca 0.38 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ael n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ael n THR 81 N -0.17 0.00 -2.18 2.61 -2.24 -1.26 -3.04 114.28 107.99 1ael n THR 81 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 81 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ael n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1ael n TRP 82 N 0.00 0.00 -0.46 4.78 7.02 -1.21 0.14 117.44 127.72 1ael n TRP 82 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ael n TRP 82 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1ael n TRP 82 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1ael n THR 83 N 0.00 0.00 -2.30 -0.99 -2.24 0.34 -3.60 114.28 105.48 1ael n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ael n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.12 0.00 -1.99 -0.78 0.00 -1.26 0.29 117.12 112.27 1ael n MET 84 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 1ael n MET 84 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.26 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 0.45 0.00 3.17 2.13 0.38 -4.79 120.64 121.98 1ael n GLU 85 Ca 0.00 -0.47 0.00 0.00 0.66 0.00 0.00 57.16 57.35 1ael n GLU 85 Cb 0.00 0.12 0.00 0.00 0.27 0.00 0.00 31.44 31.83 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 -0.52 2.19 0.07 8.31 0.00 -1.26 -4.19 105.19 109.79 1ael n GLY 86 Ca -0.08 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1ael n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 87 N 5.32 0.27 -3.64 1.61 3.02 -1.26 -4.73 115.26 115.85 1ael n ASN 87 Ca 0.00 0.61 -0.06 0.00 -0.03 0.00 0.00 54.58 55.11 1ael n ASN 87 Cb 0.00 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.45 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ael s LYS 88 N -3.24 0.27 0.04 3.52 -2.85 -1.24 -4.49 119.74 111.76 1ael s LYS 88 Ca 0.00 0.31 -0.01 0.00 -1.00 0.00 0.00 55.97 55.28 1ael s LYS 88 Cb 0.04 0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1ael s LYS 88 CO 0.13 -0.03 0.03 1.28 0.10 0.00 0.00 175.35 176.86 1ael n LEU 89 N 1.86 0.00 -3.03 2.77 4.32 -1.26 0.14 117.00 121.80 1ael n LEU 89 Ca -0.11 -0.03 0.04 0.00 -0.02 0.00 0.00 56.01 55.89 1ael n LEU 89 Cb 0.56 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1ael n LEU 89 CO 0.02 -1.33 0.46 -0.69 -1.22 0.00 0.00 177.39 174.62 1ael s VAL 90 N -1.05 -0.31 0.58 4.08 1.01 0.85 -4.45 120.40 121.11 1ael s VAL 90 Ca 0.02 0.00 0.31 0.00 0.00 0.00 0.00 61.98 62.31 1ael s VAL 90 Cb -0.00 -0.20 0.44 0.00 0.00 0.00 0.00 36.38 36.62 1ael s VAL 90 CO 0.02 0.00 1.77 1.23 0.00 0.00 0.00 175.10 178.11 1ael h GLY 91 N 6.70 0.00 0.00 4.51 0.00 0.57 0.97 103.07 115.82 1ael h GLY 91 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ael h GLY 91 CO -0.07 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.64 1ael n LYS 92 N -3.80 0.00 0.00 4.80 0.00 -1.01 -3.29 118.16 114.86 1ael n LYS 92 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1ael n LYS 92 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.04 1ael n LYS 92 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ael n PHE 93 N 0.00 0.00 -3.15 5.64 3.72 0.38 -0.25 117.46 123.79 1ael n PHE 93 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1ael n PHE 93 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1ael n PHE 93 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ael s LYS 94 N -2.39 0.53 0.00 -1.08 1.02 -1.23 -4.25 119.74 112.33 1ael s LYS 94 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1ael s LYS 94 Cb 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1ael s LYS 94 CO 0.00 -0.96 0.00 0.54 -0.92 0.00 0.00 175.35 174.01 1ael n ARG 95 N 5.28 0.66 0.00 1.68 5.12 -1.25 -1.70 116.66 126.45 1ael n ARG 95 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1ael n ARG 95 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 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 -1.62 0.00 -0.33 1.55 0.31 -1.25 -3.97 118.33 113.02 1ael n VAL 96 Ca 0.00 0.00 0.36 0.00 -0.01 0.00 0.00 64.34 64.69 1ael n VAL 96 Cb 0.00 -0.64 0.72 0.00 -0.91 0.00 0.00 33.84 33.01 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 0.00 0.00 0.00 4.52 3.58 -1.91 -3.39 116.42 119.23 1ael h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ael h ASP 97 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1ael h ASP 97 CO 0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16 1ael n ASN 98 N -3.93 0.00 0.00 2.28 2.85 -1.26 -5.11 115.26 110.09 1ael n ASN 98 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 1ael n ASN 98 Cb 1.36 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.38 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 -0.74 1.68 1.33 8.20 0.00 -1.25 -4.96 105.19 109.44 1ael n GLY 99 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 0.18 0.94 -3.06 1.61 4.01 -1.26 -4.77 118.16 115.81 1ael n LYS 100 Ca 0.00 -1.09 -0.16 0.00 -0.51 0.00 0.00 58.31 56.55 1ael n LYS 100 Cb 0.00 -0.04 -0.01 0.00 -0.51 0.00 0.00 35.03 34.47 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 -1.32 1.01 -0.24 1.97 1.02 -1.10 -3.57 120.64 118.41 1ael n GLU 101 Ca 0.04 -3.27 -0.06 0.00 -0.02 0.00 0.00 57.16 53.86 1ael n GLU 101 Cb 0.21 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 1ael n GLU 101 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ael n LEU 102 N 0.21 -0.60 0.00 -4.62 4.77 -1.26 -1.90 117.00 113.60 1ael n LEU 102 Ca 0.21 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1ael n LEU 102 Cb 0.69 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1ael n LEU 102 CO 0.21 -0.85 0.00 -0.38 -1.33 0.00 0.00 177.39 175.04 1ael n ILE 103 N -4.73 0.00 0.00 -0.08 2.08 0.65 0.21 119.36 117.48 1ael n ILE 103 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1ael n ILE 103 Cb 0.16 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 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 0.90 0.00 -1.91 -1.39 0.00 -1.22 0.23 120.51 117.11 1ael n ALA 104 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ael n ALA 104 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ael n ALA 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ael s VAL 105 N 0.00 4.34 -1.26 0.00 -7.23 0.51 -0.43 120.40 116.33 1ael s VAL 105 Ca 0.00 1.65 0.12 0.00 -1.81 0.00 0.00 61.98 61.95 1ael s VAL 105 Cb 0.00 -4.01 0.24 0.00 0.56 0.00 0.00 36.38 33.17 1ael s VAL 105 CO 0.00 0.26 1.12 -1.14 -0.31 0.00 0.00 175.10 175.02 1ael n ARG 106 N 0.87 1.94 0.00 4.82 3.00 -1.24 0.27 116.66 126.31 1ael n ARG 106 Ca -0.01 -1.74 0.00 0.00 -0.00 0.00 0.00 57.85 56.10 1ael n ARG 106 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.68 1ael n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ael n GLU 107 N 0.66 0.00 -0.18 -0.14 1.02 -1.11 -4.06 120.64 116.84 1ael n GLU 107 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ael n GLU 107 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 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 -0.94 0.00 -3.67 3.06 -1.16 -3.67 119.36 112.98 1ael n ILE 108 Ca 0.00 0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.47 1ael n ILE 108 Cb 0.00 -0.32 0.00 0.00 0.54 0.00 0.00 39.64 39.86 1ael n ILE 108 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1ael n SER 109 N -1.28 0.00 -3.22 9.51 2.88 -1.26 -4.82 113.62 115.42 1ael n SER 109 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1ael n SER 109 Cb 0.02 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.52 1ael n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ael n GLY 110 N 0.00 -1.19 3.39 0.46 0.00 -1.26 -3.47 105.19 103.11 1ael n GLY 110 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1ael n GLY 110 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 111 N -2.49 -6.46 0.00 1.61 4.05 -1.26 -5.01 115.26 105.70 1ael n ASN 111 Ca -0.05 -0.55 0.00 0.00 0.45 0.00 0.00 54.58 54.43 1ael n ASN 111 Cb 0.57 -3.98 0.00 0.00 1.23 0.00 0.00 39.78 37.59 1ael n ASN 111 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1ael n GLU 112 N -2.60 0.59 0.00 1.20 4.07 -1.23 -5.04 120.64 117.63 1ael n GLU 112 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1ael n GLU 112 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ael n LEU 113 N 0.00 0.00 0.00 4.31 4.77 -1.26 -4.43 117.00 120.40 1ael n LEU 113 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ael n LEU 113 Cb 0.00 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ael n LEU 113 CO 0.00 -0.13 0.00 -0.38 -1.33 0.00 0.00 177.39 175.55 1ael n ILE 114 N -1.62 0.00 -1.26 -0.08 2.08 -1.26 -2.76 119.36 114.47 1ael n ILE 114 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ael n ILE 114 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 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 -2.00 -0.65 -1.56 0.38 1.13 -0.85 -4.54 117.38 109.29 1ael n GLN 115 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1ael n GLN 115 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 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 -0.47 0.00 -3.39 5.09 -1.04 0.76 -3.79 114.28 111.45 1ael n THR 116 Ca 0.00 -0.49 -0.45 0.00 -2.04 0.00 0.00 64.05 61.07 1ael n THR 116 Cb 0.00 -1.92 -0.05 0.00 -1.82 0.00 0.00 70.33 66.54 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 14.40 3.50 -1.16 -1.42 2.02 -1.16 -0.36 117.35 133.17 1ael s TYR 117 Ca 0.94 -1.78 -0.04 0.00 -0.37 0.00 0.00 57.07 55.82 1ael s TYR 117 Cb -0.16 -3.71 0.25 0.00 -0.40 0.00 0.00 41.96 37.94 1ael s TYR 117 CO 0.10 -0.99 1.85 2.41 -1.57 0.00 0.00 175.55 177.35 1ael n THR 118 N 4.54 5.37 0.31 -0.71 -1.04 0.56 -2.13 114.28 121.18 1ael n THR 118 Ca -0.00 -5.32 0.15 0.00 -2.04 0.00 0.00 64.05 56.83 1ael n THR 118 Cb 0.43 -1.97 0.67 0.00 -1.82 0.00 0.00 70.33 67.64 1ael n THR 118 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 1ael h TYR 119 N 4.95 0.00 0.00 -1.42 -0.00 -1.13 -3.39 116.97 115.98 1ael h TYR 119 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.17 1ael h TYR 119 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 1ael h TYR 119 CO 1.28 0.00 0.00 -1.91 -0.00 0.00 0.00 178.16 177.53 1ael n GLU 120 N -2.57 0.00 0.00 0.10 4.07 -1.26 -2.69 120.64 118.28 1ael n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ael n GLU 120 Cb 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 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 1.66 1.51 8.31 0.00 -1.26 -5.03 105.19 110.38 1ael n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.38 0.46 -2.29 1.61 0.31 -1.26 -5.14 118.33 111.64 1ael n VAL 122 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1ael n VAL 122 Cb 0.00 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 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 -3.30 -5.39 -4.24 5.55 2.13 -1.09 -4.94 120.64 109.36 1ael n GLU 123 Ca 0.00 3.87 -0.34 0.00 0.66 0.00 0.00 57.16 61.36 1ael n GLU 123 Cb 0.07 -4.65 -0.15 0.00 0.27 0.00 0.00 31.44 26.98 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 -0.58 2.57 0.00 4.31 0.00 -0.90 -4.72 121.76 122.43 1ael s ALA 124 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1ael s ALA 124 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1ael s ALA 124 CO 0.00 -0.22 0.00 1.63 0.00 0.00 0.00 175.76 177.17 1ael n LYS 125 N 4.40 0.00 0.00 0.00 4.01 -0.78 -2.96 118.16 122.83 1ael n LYS 125 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 1ael n LYS 125 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 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 0.47 116.66 122.96 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 -0.87 0.55 -0.00 -1.26 -4.75 119.36 113.03 1ael n ILE 127 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 1ael n ILE 127 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 39.64 39.73 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 -0.60 -2.79 -0.03 1.39 1.16 -1.24 0.92 117.46 116.27 1ael n PHE 128 Ca 0.00 0.14 0.02 0.00 -1.87 0.00 0.00 57.45 55.74 1ael n PHE 128 Cb 0.00 -1.64 0.04 0.00 -1.61 0.00 0.00 39.48 36.27 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 -0.13 2.49 0.00 3.97 0.00 -1.25 -3.55 118.16 119.68 1ael n LYS 129 Ca 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 58.31 56.81 1ael n LYS 129 Cb 0.55 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.51 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 -0.15 0.00 0.00 1.64 0.00 -1.26 -4.71 118.16 113.68 1ael n LYS 130 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ael n LYS 130 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49