#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 -4.51 0.00 7.35 -1.26 -5.09 117.46 113.95 1ael n PHE 2 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1ael n PHE 2 Cb 0.00 -0.88 -0.11 0.00 0.35 0.00 0.00 39.48 38.84 1ael n PHE 2 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1ael s ASP 3 N -2.88 3.04 0.29 -2.13 -4.77 -1.25 -4.41 116.67 104.56 1ael s ASP 3 Ca 0.00 -1.33 0.00 0.00 -3.30 0.00 0.00 52.55 47.92 1ael s ASP 3 Cb 0.00 -0.22 0.00 0.00 -1.09 0.00 0.00 42.92 41.61 1ael s ASP 3 CO 0.00 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 175.99 1ael n GLY 4 N -0.77 0.53 3.96 2.12 0.00 0.48 -4.59 105.19 106.92 1ael n GLY 4 Ca -0.04 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.48 0.00 2.61 -4.23 -1.26 0.23 115.64 116.47 1ael s THR 5 Ca 0.00 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1ael s THR 5 Cb 0.00 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1ael s THR 5 CO 0.00 -0.09 0.00 0.79 -0.54 0.00 0.00 174.62 174.78 1ael n TRP 6 N -1.64 0.00 0.00 3.99 5.03 -1.26 -4.02 117.44 119.54 1ael n TRP 6 Ca 0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1ael n TRP 6 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.87 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 -0.03 0.00 -2.88 -0.99 5.02 -1.26 -1.09 118.16 116.93 1ael n LYS 7 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1ael n LYS 7 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.14 -0.23 -0.18 0.31 -1.24 -3.60 118.33 113.25 1ael n VAL 8 Ca 0.00 -2.37 0.02 0.00 -0.01 0.00 0.00 64.34 61.98 1ael n VAL 8 Cb 0.00 0.67 0.12 0.00 -0.91 0.00 0.00 33.84 33.72 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 3.52 -0.41 -3.18 4.52 1.82 0.36 -3.42 116.42 119.64 1ael h ASP 9 Ca -0.06 0.19 -0.46 0.00 -0.39 0.00 0.00 57.03 56.31 1ael h ASP 9 Cb 1.02 0.34 -0.14 0.00 0.68 0.00 0.00 39.33 41.23 1ael h ASP 9 CO 0.31 -0.17 -0.71 0.00 -1.61 0.00 0.00 179.24 177.06 1ael s ARG 10 N -6.16 1.39 -0.02 0.28 3.03 -0.80 -5.01 118.95 111.66 1ael s ARG 10 Ca -0.14 -1.65 -0.01 0.00 2.03 0.00 0.00 55.73 55.96 1ael s ARG 10 Cb 0.21 -1.09 0.01 0.00 -1.03 0.00 0.00 34.95 33.05 1ael s ARG 10 CO 0.75 0.12 0.04 0.54 -1.13 0.00 0.00 175.30 175.61 1ael s ASN 11 N -3.35 -0.02 0.10 -2.89 2.20 -1.25 -3.66 114.94 106.07 1ael s ASN 11 Ca 0.25 0.07 0.07 0.00 -0.94 0.00 0.00 52.86 52.31 1ael s ASN 11 Cb 0.01 0.05 -0.03 0.00 -2.00 0.00 0.00 41.25 39.27 1ael s ASN 11 CO 0.08 -0.04 -0.18 -0.70 -2.94 0.00 0.00 177.10 173.32 1ael s GLU 12 N 0.27 1.06 0.00 3.55 2.56 0.55 -4.77 118.70 121.92 1ael s GLU 12 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 54.97 53.80 1ael s GLU 12 Cb -0.03 -1.20 0.00 0.00 2.00 0.00 0.00 34.13 34.89 1ael s GLU 12 CO -0.01 0.27 0.00 0.09 -0.56 0.00 0.00 175.26 175.05 1ael n ASN 13 N 1.00 0.00 0.00 -1.70 3.02 -1.24 -1.91 115.26 114.43 1ael n ASN 13 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1ael n ASN 13 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.00 0.00 0.33 3.10 0.18 -1.26 -0.65 117.16 118.86 1ael n TYR 14 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.89 1ael n TYR 14 Cb 0.00 0.00 0.60 0.00 -0.38 0.00 0.00 39.34 39.56 1ael n TYR 14 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1ael h GLU 15 N 0.00 0.00 0.04 -3.48 4.11 -1.93 -0.99 114.58 112.33 1ael h GLU 15 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1ael h GLU 15 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ael h GLU 15 CO 0.00 0.00 -0.94 -0.22 0.07 0.00 0.00 179.01 177.92 1ael h LYS 16 N 0.00 0.56 0.00 1.06 1.63 -1.29 0.53 116.57 119.06 1ael h LYS 16 Ca 0.00 -0.66 -0.01 0.00 -0.85 0.00 0.00 60.65 59.13 1ael h LYS 16 Cb 1.02 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1ael h LYS 16 CO 0.00 1.27 -0.05 0.27 -3.45 0.00 0.00 179.45 177.49 1ael h PHE 17 N 0.15 0.00 0.00 1.91 -5.15 -0.22 -1.18 116.94 112.45 1ael h PHE 17 Ca -0.13 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.64 1ael h PHE 17 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.80 1ael h PHE 17 CO 0.13 0.05 -0.00 0.52 -2.00 0.00 0.00 178.31 177.00 1ael h MET 18 N 0.00 -0.00 -0.78 6.09 2.86 -1.26 -3.39 114.93 118.46 1ael h MET 18 Ca -0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 1ael h MET 18 Cb 0.15 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.67 1ael h MET 18 CO 0.01 0.06 -0.11 1.49 1.06 0.00 0.00 176.91 179.42 1ael h GLU 19 N -1.00 0.03 0.00 1.72 4.57 0.70 -1.96 114.58 118.64 1ael h GLU 19 Ca -0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ael h GLU 19 Cb 0.06 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1ael h GLU 19 CO 0.00 0.02 -0.01 0.87 -1.18 0.00 0.00 179.01 178.72 1ael h LYS 20 N 0.04 0.00 -0.08 1.92 1.79 -1.42 -1.74 116.57 117.08 1ael h LYS 20 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1ael h LYS 20 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1ael h LYS 20 CO -0.75 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 177.62 1ael n MET 21 N -3.13 1.65 0.00 3.15 0.00 -0.75 -4.87 117.12 113.18 1ael n MET 21 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 57.70 56.72 1ael n MET 21 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 31.94 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 1.14 1.13 3.54 3.17 0.00 -0.68 -3.77 105.19 109.72 1ael n GLY 22 Ca 0.18 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.72 1ael n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ael n ILE 23 N -0.51 0.31 -1.53 -0.61 -0.00 -1.07 -4.78 119.36 111.17 1ael n ILE 23 Ca 0.00 -0.31 -0.30 0.00 -0.00 0.00 0.00 62.75 62.15 1ael n ILE 23 Cb 0.00 -2.01 0.20 0.00 -0.00 0.00 0.00 39.64 37.82 1ael n ILE 23 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1ael s ASN 24 N 7.12 2.35 0.55 4.38 -0.87 -1.26 -4.44 114.94 122.75 1ael s ASN 24 Ca 1.04 0.53 0.33 0.00 -1.57 0.00 0.00 52.86 53.19 1ael s ASN 24 Cb -0.64 -0.75 1.32 0.00 -0.02 0.00 0.00 41.25 41.15 1ael s ASN 24 CO 0.45 -3.23 1.97 -0.37 -2.57 0.00 0.00 177.10 173.34 1ael h VAL 25 N -1.98 0.01 -0.03 1.60 -1.51 -2.00 -3.13 116.25 109.22 1ael h VAL 25 Ca -0.46 -0.54 0.01 0.00 -1.23 0.00 0.00 66.70 64.48 1ael h VAL 25 Cb 1.28 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1ael h VAL 25 CO 0.41 0.00 0.07 -0.37 -1.23 0.00 0.00 177.57 176.45 1ael h VAL 26 N 0.00 0.20 0.08 7.19 -1.51 -2.01 0.74 116.25 120.94 1ael h VAL 26 Ca -0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.22 1ael h VAL 26 Cb 0.54 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1ael h VAL 26 CO 0.00 0.00 -1.15 0.50 -1.23 0.00 0.00 177.57 175.69 1ael h LYS 27 N 0.00 0.17 -0.32 5.19 1.63 -1.93 -3.30 116.57 118.00 1ael h LYS 27 Ca 0.01 -0.29 0.09 0.00 -0.85 0.00 0.00 60.65 59.62 1ael h LYS 27 Cb 0.15 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1ael h LYS 27 CO -0.00 1.14 0.45 -0.09 -3.45 0.00 0.00 179.45 177.50 1ael h ARG 28 N 0.05 0.00 0.53 1.90 2.43 0.38 1.31 114.38 120.98 1ael h ARG 28 Ca -0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1ael h ARG 28 Cb 1.89 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1ael h ARG 28 CO 0.18 0.00 -0.25 0.87 -1.51 0.00 0.00 179.97 179.25 1ael h LYS 29 N 0.00 -0.69 -0.80 0.20 1.79 -1.64 -3.28 116.57 112.16 1ael h LYS 29 Ca 0.15 0.05 -0.57 0.00 -2.18 0.00 0.00 60.65 58.10 1ael h LYS 29 Cb 1.05 0.16 -0.41 0.00 -1.58 0.00 0.00 32.23 31.45 1ael h LYS 29 CO -0.00 -0.46 -0.55 1.28 -1.08 0.00 0.00 179.45 178.64 1ael n LEU 30 N -4.05 5.36 0.00 2.94 4.77 -0.84 -4.82 117.00 120.37 1ael n LEU 30 Ca -0.09 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1ael n LEU 30 Cb 0.28 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1ael n LEU 30 CO 0.21 2.01 0.00 0.61 -1.33 0.00 0.00 177.39 178.90 1ael n GLY 31 N -0.74 -0.89 0.00 -0.72 0.00 0.45 -4.14 105.19 99.15 1ael n GLY 31 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.00 1.64 0.02 4.61 0.00 -1.26 -3.12 120.51 119.40 1ael n ALA 32 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1ael n ALA 32 Cb 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1ael n ALA 32 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ael n HIS 33 N -1.20 0.97 -4.28 0.00 -0.00 -1.26 -4.91 115.22 104.55 1ael n HIS 33 Ca 0.05 -1.11 -0.29 0.00 -0.00 0.00 0.00 57.72 56.36 1ael n HIS 33 Cb 0.06 -0.56 -0.11 0.00 -0.00 0.00 0.00 29.99 29.38 1ael n HIS 33 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1ael s ASP 34 N 0.42 4.11 -0.40 0.26 1.47 -1.18 -4.99 116.67 116.36 1ael s ASP 34 Ca 0.18 -0.51 -0.03 0.00 1.18 0.00 0.00 52.55 53.38 1ael s ASP 34 Cb 0.15 -0.66 0.10 0.00 -0.34 0.00 0.00 42.92 42.17 1ael s ASP 34 CO 0.02 0.17 0.19 0.21 0.68 0.00 0.00 175.17 176.44 1ael s ASN 35 N -2.28 5.23 -0.35 2.11 3.84 -1.26 -4.89 114.94 117.35 1ael s ASN 35 Ca 0.20 -1.95 -0.02 0.00 0.21 0.00 0.00 52.86 51.31 1ael s ASN 35 Cb -0.10 -1.82 0.08 0.00 -0.55 0.00 0.00 41.25 38.85 1ael s ASN 35 CO 0.12 -0.52 0.08 -0.22 -2.79 0.00 0.00 177.10 173.78 1ael s LEU 36 N 1.16 4.49 -0.71 3.21 0.20 -1.26 -3.98 118.68 121.79 1ael s LEU 36 Ca 0.07 -1.62 -0.26 0.00 0.69 0.00 0.00 54.13 53.01 1ael s LEU 36 Cb -0.22 -1.76 -0.12 0.00 -0.43 0.00 0.00 46.19 43.66 1ael s LEU 36 CO -0.04 -0.38 2.42 1.17 -0.29 0.00 0.00 176.35 179.23 1ael n LYS 37 N 4.59 0.68 -0.24 1.98 4.81 -1.16 -3.63 118.16 125.19 1ael n LYS 37 Ca -0.08 -0.64 0.05 0.00 -0.87 0.00 0.00 58.31 56.77 1ael n LYS 37 Cb 0.43 -3.64 0.16 0.00 0.02 0.00 0.00 35.03 32.00 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 21.92 -0.11 -0.85 3.14 7.12 -1.31 0.28 115.31 145.49 1ael h LEU 38 Ca -0.06 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1ael h LEU 38 Cb 1.07 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1ael h LEU 38 CO 1.04 -0.09 -0.89 0.41 -0.13 0.00 0.00 178.44 178.79 1ael n THR 39 N -5.22 -3.85 -3.59 1.05 -1.04 -0.34 -0.65 114.28 100.65 1ael n THR 39 Ca 0.13 1.82 -0.16 0.00 -2.04 0.00 0.00 64.05 63.80 1ael n THR 39 Cb 0.45 -2.71 -0.13 0.00 -1.82 0.00 0.00 70.33 66.12 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 -4.43 -0.35 -0.57 12.58 1.01 0.63 -3.33 121.20 126.74 1ael s ILE 40 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1ael s ILE 40 Cb 0.00 -0.51 0.15 0.00 0.01 0.00 0.00 42.46 42.10 1ael s ILE 40 CO 0.00 -0.01 0.35 -0.89 0.00 0.00 0.00 174.94 174.39 1ael s THR 41 N 2.36 3.20 0.48 2.92 2.01 -1.11 0.18 115.64 125.68 1ael s THR 41 Ca 0.04 -3.08 -0.24 0.00 0.31 0.00 0.00 61.69 58.72 1ael s THR 41 Cb -0.14 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.16 1ael s THR 41 CO -0.10 -0.83 1.38 0.00 -0.69 0.00 0.00 174.62 174.38 1ael s GLN 42 N -0.11 3.54 0.00 4.92 -2.07 -1.26 -2.77 119.66 121.90 1ael s GLN 42 Ca 0.17 2.29 0.00 0.00 -1.82 0.00 0.00 55.36 56.00 1ael s GLN 42 Cb -0.23 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.18 1ael s GLN 42 CO -0.02 -0.89 0.00 0.39 -1.32 0.00 0.00 175.29 173.45 1ael n GLU 43 N -0.46 0.32 -1.57 9.60 -0.58 0.27 -4.95 120.64 123.28 1ael n GLU 43 Ca 0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.68 1ael n GLU 43 Cb 0.43 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.23 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 -0.42 -0.91 0.00 0.62 0.00 -1.26 -4.05 107.32 101.30 1ael s GLY 44 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1ael s GLY 44 CO 0.00 4.26 0.00 0.70 0.00 0.00 0.00 173.10 178.06 1ael n ASN 45 N 19.01 0.00 -4.08 1.64 4.13 -1.26 -4.87 115.26 129.83 1ael n ASN 45 Ca 0.46 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.36 1ael n ASN 45 Cb 0.44 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.73 1ael n ASN 45 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1ael n LYS 46 N 0.00 -0.11 -3.43 3.52 0.00 -1.26 -4.57 118.16 112.31 1ael n LYS 46 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 58.31 58.22 1ael n LYS 46 Cb 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 35.03 33.79 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 1ael s PHE 47 N -2.07 -0.95 -0.69 5.64 -0.71 -1.26 -0.56 117.98 117.37 1ael s PHE 47 Ca 0.43 1.23 -0.26 0.00 -1.04 0.00 0.00 56.93 57.29 1ael s PHE 47 Cb -0.14 0.22 -0.11 0.00 -1.21 0.00 0.00 43.02 41.77 1ael s PHE 47 CO 0.77 -0.67 2.41 0.99 -1.34 0.00 0.00 175.22 177.38 1ael s THR 48 N 2.63 3.01 0.16 -4.49 2.01 -1.12 -3.11 115.64 114.73 1ael s THR 48 Ca 0.09 -0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 1ael s THR 48 Cb -0.14 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1ael s THR 48 CO -0.16 -0.01 0.46 0.68 -0.69 0.00 0.00 174.62 174.90 1ael s VAL 49 N 13.96 5.04 0.00 3.82 -7.23 -0.95 -2.74 120.40 132.30 1ael s VAL 49 Ca 0.94 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 1ael s VAL 49 Cb -0.14 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1ael s VAL 49 CO 0.14 0.07 0.00 0.29 -0.31 0.00 0.00 175.10 175.29 1ael n LYS 50 N 0.25 0.00 0.00 4.82 5.02 0.18 0.29 118.16 128.72 1ael n LYS 50 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 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 -3.88 1.97 2.13 0.09 -2.90 120.64 118.05 1ael n GLU 51 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 1ael n GLU 51 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 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 -1.42 4.99 -0.72 4.31 0.01 -1.24 -2.76 113.70 116.87 1ael s SER 52 Ca 0.00 -1.60 -0.00 0.00 1.31 0.00 0.00 55.95 55.66 1ael s SER 52 Cb 0.00 -1.74 0.38 0.00 0.21 0.00 0.00 66.02 64.88 1ael s SER 52 CO 0.00 -0.36 1.81 -1.54 0.41 0.00 0.00 173.24 173.56 1ael n SER 53 N 4.57 6.89 -0.03 2.44 3.41 -1.26 -2.98 113.62 126.66 1ael n SER 53 Ca -0.08 -3.81 -0.00 0.00 -0.26 0.00 0.00 58.87 54.72 1ael n SER 53 Cb 0.43 -0.90 -0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.59 -5.68 0.00 4.04 5.15 -1.26 -4.29 115.26 112.63 1ael n ASN 54 Ca 0.52 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1ael n ASN 54 Cb 0.41 -3.22 0.00 0.00 -0.53 0.00 0.00 39.78 36.44 1ael n ASN 54 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1ael n PHE 55 N -2.11 0.00 -1.70 1.20 -1.74 -1.26 -4.98 117.46 106.87 1ael n PHE 55 Ca -0.00 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.93 1ael n PHE 55 Cb 0.45 0.00 0.07 0.00 1.52 0.00 0.00 39.48 41.52 1ael n PHE 55 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1ael n ARG 56 N 0.00 0.60 -0.93 3.97 3.00 -1.26 -5.06 116.66 116.99 1ael n ARG 56 Ca 0.00 -1.90 -0.40 0.00 -0.00 0.00 0.00 57.85 55.55 1ael n ARG 56 Cb 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 32.46 31.47 1ael n ARG 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ael n ASN 57 N -0.55 0.47 -3.65 6.15 2.85 -1.26 -4.59 115.26 114.68 1ael n ASN 57 Ca 0.08 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1ael n ASN 57 Cb 0.73 -0.64 -0.00 0.00 1.24 0.00 0.00 39.78 41.11 1ael n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1ael s ILE 58 N 4.70 0.00 0.15 -1.44 2.07 -1.11 -4.98 121.20 120.60 1ael s ILE 58 Ca 0.88 -0.35 0.10 0.00 -1.41 0.00 0.00 60.65 59.87 1ael s ILE 58 Cb -1.03 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 1ael s ILE 58 CO 0.45 0.00 -0.22 1.51 -1.91 0.00 0.00 174.94 174.76 1ael s ASP 59 N -3.09 3.00 -0.27 4.50 1.47 -1.23 -2.71 116.67 118.34 1ael s ASP 59 Ca 0.16 -0.80 -0.03 0.00 1.18 0.00 0.00 52.55 53.06 1ael s ASP 59 Cb 0.02 -0.19 0.11 0.00 -0.34 0.00 0.00 42.92 42.51 1ael s ASP 59 CO -0.01 0.08 0.18 -0.69 0.68 0.00 0.00 175.17 175.41 1ael s VAL 60 N -1.52 -0.19 0.34 2.11 1.01 0.15 -4.97 120.40 117.32 1ael s VAL 60 Ca 0.15 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1ael s VAL 60 Cb -0.08 -0.91 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1ael s VAL 60 CO 0.07 -0.56 1.28 -0.69 0.00 0.00 0.00 175.10 175.20 1ael s VAL 61 N 2.20 2.79 -0.17 2.92 1.01 -1.26 -2.24 120.40 125.65 1ael s VAL 61 Ca 0.08 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1ael s VAL 61 Cb -0.15 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1ael s VAL 61 CO -0.31 0.17 -0.17 0.49 0.00 0.00 0.00 175.10 175.28 1ael n PHE 62 N 0.69 0.00 -3.06 5.22 3.01 -1.18 -4.92 117.46 117.22 1ael n PHE 62 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 1ael n PHE 62 Cb 0.43 -0.66 0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1ael n PHE 62 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ael n GLU 63 N -3.18 -5.05 0.00 -1.08 1.02 -1.26 -4.27 120.64 106.81 1ael n GLU 63 Ca -0.32 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1ael n GLU 63 Cb 0.81 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 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 -4.09 0.00 -4.82 -4.62 7.99 -1.26 -4.64 117.00 105.56 1ael n LEU 64 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.55 1ael n LEU 64 Cb 0.62 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.86 1ael n LEU 64 CO 0.49 0.00 -0.22 -0.83 -1.51 0.00 0.00 177.39 175.32 1ael s GLY 65 N 0.00 2.06 -0.38 -0.72 0.00 0.48 -4.32 107.32 104.43 1ael s GLY 65 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1ael s GLY 65 CO 0.00 -0.59 0.75 -1.34 0.00 0.00 0.00 173.10 171.92 1ael s VAL 66 N -1.12 -0.77 0.00 1.40 -7.23 -1.23 -4.80 120.40 106.64 1ael s VAL 66 Ca 0.20 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1ael s VAL 66 Cb -0.12 0.00 0.00 0.00 0.56 0.00 0.00 36.38 36.82 1ael s VAL 66 CO 0.10 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.36 1ael n ASP 67 N 4.21 0.00 0.00 4.85 8.00 -0.42 -4.77 116.55 128.41 1ael n ASP 67 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1ael n ASP 67 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ael n PHE 68 N 0.00 0.00 -2.37 1.24 3.72 -1.22 -4.80 117.46 114.03 1ael n PHE 68 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1ael n PHE 68 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 -1.57 -0.05 -3.91 4.37 0.00 -1.06 -4.88 120.51 113.41 1ael n ALA 69 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1ael n ALA 69 Cb 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 1ael n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ael s TYR 70 N -3.01 2.72 -0.10 0.00 5.04 -1.25 -4.64 117.35 116.11 1ael s TYR 70 Ca 0.01 -1.51 -0.37 0.00 -2.44 0.00 0.00 57.07 52.76 1ael s TYR 70 Cb -0.01 -1.87 -0.15 0.00 0.35 0.00 0.00 41.96 40.29 1ael s TYR 70 CO 0.02 -0.72 1.64 -1.13 -1.34 0.00 0.00 175.55 174.03 1ael n SER 71 N 4.36 2.46 -0.26 4.32 3.41 -1.25 -2.92 113.62 123.75 1ael n SER 71 Ca -0.21 1.07 0.12 0.00 -0.26 0.00 0.00 58.87 59.59 1ael n SER 71 Cb 0.51 -1.23 0.24 0.00 -0.26 0.00 0.00 64.21 63.46 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 4.64 -0.07 0.00 1.04 -0.00 -0.87 -4.20 117.00 117.55 1ael n LEU 72 Ca 0.23 1.28 0.00 0.00 -0.00 0.00 0.00 56.01 57.52 1ael n LEU 72 Cb 0.19 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1ael n LEU 72 CO 0.73 -1.31 0.00 0.00 -0.00 0.00 0.00 177.39 176.81 1ael n ALA 73 N -3.23 0.00 -0.87 1.96 0.00 -1.26 -5.00 120.51 112.11 1ael n ALA 73 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ael n ALA 73 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 -1.29 0.00 0.00 8.00 -1.26 -4.90 116.55 117.10 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 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 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 -1.83 1.49 0.00 0.44 0.00 -1.26 -4.72 105.19 99.31 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 -2.61 2.61 5.66 -1.25 -4.86 114.28 113.83 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 -1.48 0.00 0.00 1.09 4.71 -1.26 -3.74 120.64 119.95 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ael n GLU 77 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ael n GLU 77 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 78 N 0.00 0.00 -4.43 -4.62 4.77 -1.15 -2.04 117.00 109.54 1ael n LEU 78 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 1ael n LEU 78 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1ael n LEU 78 CO 0.00 0.00 1.04 0.28 -1.33 0.00 0.00 177.39 177.38 1ael s THR 79 N 0.00 5.09 0.00 -5.08 -1.32 -1.26 -2.56 115.64 110.52 1ael s THR 79 Ca 0.00 -2.28 0.00 0.00 -1.21 0.00 0.00 61.69 58.20 1ael s THR 79 Cb 0.00 -4.77 0.00 0.00 -1.51 0.00 0.00 72.50 66.22 1ael s THR 79 CO 0.00 -1.45 0.00 0.61 -2.21 0.00 0.00 174.62 171.57 1ael n GLY 80 N 4.49 3.88 2.67 6.08 0.00 -1.25 -4.14 105.19 116.91 1ael n GLY 80 Ca 0.27 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1ael n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ael s THR 81 N -1.67 -0.23 -0.12 2.61 -1.32 -1.26 -1.31 115.64 112.34 1ael s THR 81 Ca 0.00 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.32 1ael s THR 81 Cb 0.00 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 1ael s THR 81 CO 0.00 -0.63 1.77 0.26 -2.21 0.00 0.00 174.62 173.81 1ael s TRP 82 N 1.86 1.78 -0.28 9.09 0.52 -1.24 -4.50 118.94 126.18 1ael s TRP 82 Ca 0.13 0.24 -0.02 0.00 0.02 0.00 0.00 56.10 56.47 1ael s TRP 82 Cb -0.16 -4.01 0.11 0.00 -1.15 0.00 0.00 33.47 28.27 1ael s TRP 82 CO -0.21 -3.87 0.21 0.99 0.02 0.00 0.00 176.95 174.09 1ael s THR 83 N 5.12 -0.24 1.14 2.01 2.01 -1.26 0.18 115.64 124.60 1ael s THR 83 Ca 0.79 -0.56 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 1ael s THR 83 Cb -0.32 -0.94 0.29 0.00 0.01 0.00 0.00 72.50 71.54 1ael s THR 83 CO 0.32 -0.55 0.79 1.15 -0.69 0.00 0.00 174.62 175.65 1ael n MET 84 N 5.28 -3.74 0.00 4.92 0.00 -1.26 -4.36 117.12 117.96 1ael n MET 84 Ca -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 57.70 56.35 1ael n MET 84 Cb 0.45 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.19 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 -4.80 0.73 0.00 3.17 0.00 -0.48 -4.89 120.64 114.37 1ael n GLU 85 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 57.16 56.55 1ael n GLU 85 Cb 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 31.44 31.30 1ael n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 86 N -0.12 2.94 0.19 8.31 0.00 -1.26 -4.73 105.19 110.52 1ael n GLY 86 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1ael n GLY 86 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ael h ASN 87 N 0.00 0.61 -4.28 1.61 7.08 -1.93 -3.46 115.58 115.21 1ael h ASN 87 Ca 0.00 -0.43 -0.06 0.00 -3.08 0.00 0.00 56.30 52.73 1ael h ASN 87 Cb 0.00 -0.17 -0.21 0.00 -2.08 0.00 0.00 38.32 35.86 1ael h ASN 87 CO 0.00 0.91 0.09 -1.59 -2.08 0.00 0.00 177.43 174.76 1ael s LYS 88 N -4.51 0.85 0.00 4.14 -2.85 -1.25 -4.47 119.74 111.65 1ael s LYS 88 Ca -0.13 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 1ael s LYS 88 Cb 0.08 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1ael s LYS 88 CO 0.79 -0.16 0.00 -0.11 0.10 0.00 0.00 175.35 175.98 1ael n LEU 89 N 2.20 0.00 0.00 2.77 0.00 -1.26 -1.38 117.00 119.34 1ael n LEU 89 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.86 1ael n LEU 89 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 1ael n LEU 89 CO 0.10 -0.52 0.00 0.52 0.00 0.00 0.00 177.39 177.49 1ael n VAL 90 N -1.08 0.00 0.00 1.96 0.31 -1.26 -4.51 118.33 113.74 1ael n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 90 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ael n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ael n GLY 91 N -0.00 1.21 1.00 2.92 0.00 -0.56 -3.86 105.19 105.91 1ael n GLY 91 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ael n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ael n LYS 92 N 0.00 -1.87 -1.19 1.61 4.76 -1.26 -3.65 118.16 116.55 1ael n LYS 92 Ca 0.00 1.33 0.00 0.00 -2.87 0.00 0.00 58.31 56.77 1ael n LYS 92 Cb 0.00 -2.36 0.00 0.00 -1.84 0.00 0.00 35.03 30.83 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 -3.14 0.00 0.00 2.13 1.16 -1.26 -3.38 117.46 112.96 1ael n PHE 93 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 1ael n PHE 93 Cb 0.61 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.48 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 -1.74 3.97 5.02 -0.32 -3.87 118.16 121.22 1ael n LYS 94 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1ael n LYS 94 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1ael n LYS 94 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ael s ARG 95 N 0.00 2.07 0.00 1.97 3.03 -1.22 -4.02 118.95 120.78 1ael s ARG 95 Ca 0.00 0.56 0.00 0.00 2.03 0.00 0.00 55.73 58.32 1ael s ARG 95 Cb 0.00 -4.74 0.00 0.00 -1.03 0.00 0.00 34.95 29.18 1ael s ARG 95 CO 0.00 -3.70 0.00 0.28 -1.13 0.00 0.00 175.30 170.75 1ael n VAL 96 N 8.18 0.00 -0.46 4.99 0.31 -1.26 -1.09 118.33 129.00 1ael n VAL 96 Ca 0.39 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 65.10 1ael n VAL 96 Cb 0.48 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.04 1ael n VAL 96 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ael n ASP 97 N -0.94 0.16 -0.32 4.52 2.03 -1.26 -3.67 116.55 117.07 1ael n ASP 97 Ca 0.00 1.19 -0.01 0.00 0.52 0.00 0.00 54.79 56.49 1ael n ASP 97 Cb 0.00 -0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 1ael n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ael n ASN 98 N -4.38 -0.10 -3.51 1.67 5.15 -0.25 -5.02 115.26 108.83 1ael n ASN 98 Ca 0.37 -0.33 -0.20 0.00 -0.60 0.00 0.00 54.58 53.82 1ael n ASN 98 Cb 1.48 0.03 0.08 0.00 -0.53 0.00 0.00 39.78 40.84 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ael n GLY 99 N 0.00 -0.43 3.85 8.20 0.00 -0.81 -4.87 105.19 111.13 1ael n GLY 99 Ca -0.03 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1ael n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ael s LYS 100 N -5.76 0.03 -0.49 1.61 3.01 -1.24 -4.49 119.74 112.40 1ael s LYS 100 Ca 0.24 -0.39 0.08 0.00 -1.01 0.00 0.00 55.97 54.89 1ael s LYS 100 Cb -0.10 -1.77 0.32 0.00 -1.01 0.00 0.00 37.83 35.26 1ael s LYS 100 CO 0.73 -2.83 0.78 0.39 0.51 0.00 0.00 175.35 174.94 1ael n GLU 101 N -4.06 1.98 -0.22 1.68 4.71 -0.87 -1.18 120.64 122.68 1ael n GLU 101 Ca 0.16 -4.08 -0.11 0.00 -0.01 0.00 0.00 57.16 53.12 1ael n GLU 101 Cb 0.59 -1.91 -0.09 0.00 -1.01 0.00 0.00 31.44 29.03 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1ael h LEU 102 N 3.32 -1.72 -0.92 -4.62 3.38 -1.80 0.34 115.31 113.29 1ael h LEU 102 Ca 0.12 0.24 -0.39 0.00 0.09 0.00 0.00 57.88 57.94 1ael h LEU 102 Cb 0.74 0.73 0.14 0.00 0.09 0.00 0.00 40.66 42.36 1ael h LEU 102 CO 0.66 -0.28 -0.68 -0.38 0.09 0.00 0.00 178.44 177.85 1ael n ILE 103 N -4.97 -3.21 -1.64 1.22 2.08 -1.22 0.19 119.36 111.83 1ael n ILE 103 Ca -0.01 -0.04 -0.15 0.00 0.56 0.00 0.00 62.75 63.10 1ael n ILE 103 Cb 0.26 -4.05 -0.09 0.00 -0.75 0.00 0.00 39.64 35.01 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael s ALA 104 N -3.32 0.68 0.00 -1.39 0.00 -1.25 -3.48 121.76 113.01 1ael s ALA 104 Ca 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ael s ALA 104 Cb -0.23 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.25 1ael s ALA 104 CO 0.72 -6.31 0.00 0.28 0.00 0.00 0.00 175.76 170.45 1ael n VAL 105 N 8.82 0.00 0.00 0.00 0.31 0.35 -1.49 118.33 126.31 1ael n VAL 105 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1ael n VAL 105 Cb 0.45 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ael n ARG 106 N 0.00 0.00 0.00 5.55 3.00 0.33 -4.40 116.66 121.14 1ael n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ael n ARG 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 0.00 0.00 -1.18 -0.14 -0.58 -1.16 -4.19 120.64 113.39 1ael n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ael n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ael n GLU 107 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1ael n ILE 108 N 0.00 -5.10 -3.16 -3.67 3.06 -1.16 -3.77 119.36 105.55 1ael n ILE 108 Ca 0.00 1.67 0.05 0.00 -2.50 0.00 0.00 62.75 61.98 1ael n ILE 108 Cb 0.00 -2.87 -0.02 0.00 0.54 0.00 0.00 39.64 37.29 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 -1.25 -0.15 -0.38 9.51 0.15 -1.26 -4.88 113.70 115.43 1ael s SER 109 Ca 0.00 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.76 1ael s SER 109 Cb 0.00 1.14 -0.01 0.00 -1.71 0.00 0.00 66.02 65.43 1ael s SER 109 CO 0.00 -0.03 0.34 0.61 1.20 0.00 0.00 173.24 175.37 1ael n GLY 110 N 5.28 -0.37 3.75 9.45 0.00 -1.26 -3.95 105.19 118.09 1ael n GLY 110 Ca -0.08 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ael n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 111 N -1.75 -3.73 -0.16 1.61 5.03 -1.26 -4.97 115.26 110.03 1ael n ASN 111 Ca -0.01 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.44 1ael n ASN 111 Cb 0.52 -3.37 0.00 0.00 -1.02 0.00 0.00 39.78 35.91 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ael n GLU 112 N -4.24 1.87 0.00 3.52 4.71 -1.25 -5.05 120.64 120.20 1ael n GLU 112 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1ael n GLU 112 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.05 1ael n GLU 112 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1ael n LEU 113 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -4.48 117.00 111.41 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 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ael n LEU 113 CO 0.00 -0.11 0.00 -0.38 -1.33 0.00 0.00 177.39 175.57 1ael n ILE 114 N -1.58 0.00 0.00 -0.08 2.08 -1.26 -2.96 119.36 115.56 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 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 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 -0.11 0.00 -2.82 0.38 6.02 -1.26 -4.62 117.38 114.97 1ael n GLN 115 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1ael n GLN 115 Cb 0.23 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.53 1ael n GLN 115 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1ael n THR 116 N 0.00 -1.70 -2.59 5.09 -1.04 -0.35 0.13 114.28 113.83 1ael n THR 116 Ca 0.00 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1ael n THR 116 Cb 0.00 -2.90 -0.03 0.00 -1.82 0.00 0.00 70.33 65.58 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 -3.14 2.44 -1.00 -1.42 1.51 0.44 -4.20 117.35 111.99 1ael s TYR 117 Ca 0.15 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1ael s TYR 117 Cb -0.07 -4.55 0.25 0.00 -0.11 0.00 0.00 41.96 37.48 1ael s TYR 117 CO 0.30 -1.85 0.98 2.41 -1.11 0.00 0.00 175.55 176.28 1ael n THR 118 N 6.47 3.84 0.34 -0.71 -1.04 0.52 0.17 114.28 123.87 1ael n THR 118 Ca 0.05 -5.29 0.12 0.00 -2.04 0.00 0.00 64.05 56.88 1ael n THR 118 Cb 0.49 -2.45 0.51 0.00 -1.82 0.00 0.00 70.33 67.06 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 2.37 0.78 0.00 -1.42 0.18 0.09 -4.19 117.16 114.97 1ael n TYR 119 Ca 0.23 0.33 0.00 0.00 1.88 0.00 0.00 57.90 60.34 1ael n TYR 119 Cb 0.38 -1.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.31 1ael n TYR 119 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1ael n GLU 120 N -2.23 0.00 -0.19 -3.48 -0.00 -1.26 -2.04 120.64 111.43 1ael n GLU 120 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1ael n GLU 120 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.62 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 121 N 0.00 0.96 2.45 -1.84 0.00 -1.26 -5.02 105.19 100.48 1ael n GLY 121 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1ael n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ael s VAL 122 N -2.00 0.54 0.15 1.61 1.01 -1.26 -5.11 120.40 115.34 1ael s VAL 122 Ca 0.00 -2.62 -0.30 0.00 0.00 0.00 0.00 61.98 59.05 1ael s VAL 122 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 1ael s VAL 122 CO 0.00 -1.17 1.17 -0.70 0.00 0.00 0.00 175.10 174.40 1ael s GLU 123 N 0.11 4.50 -0.31 2.72 2.12 -1.13 -2.20 118.70 124.51 1ael s GLU 123 Ca 0.29 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.43 1ael s GLU 123 Cb -0.02 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.16 1ael s GLU 123 CO -0.16 -0.09 0.02 0.00 -0.54 0.00 0.00 175.26 174.49 1ael s ALA 124 N 0.21 2.83 0.00 6.30 0.00 0.45 -3.66 121.76 127.89 1ael s ALA 124 Ca 0.54 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1ael s ALA 124 Cb -0.31 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1ael s ALA 124 CO 0.34 -1.41 0.00 1.63 0.00 0.00 0.00 175.76 176.32 1ael n LYS 125 N 4.51 0.00 0.00 0.00 4.01 -0.80 -0.42 118.16 125.47 1ael n LYS 125 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1ael n LYS 125 Cb 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 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 0.21 116.66 122.70 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 -0.75 0.55 -0.00 -1.24 -4.70 119.36 113.21 1ael n ILE 127 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.42 1ael n ILE 127 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 39.64 39.78 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 -0.32 -1.34 -0.68 1.39 1.16 -1.24 0.82 117.46 117.26 1ael n PHE 128 Ca 0.00 0.21 0.07 0.00 -1.87 0.00 0.00 57.45 55.87 1ael n PHE 128 Cb 0.00 -1.74 0.23 0.00 -1.61 0.00 0.00 39.48 36.36 1ael n PHE 128 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ael n LYS 129 N -1.98 2.99 0.00 3.97 5.02 -1.26 -3.58 118.16 123.32 1ael n LYS 129 Ca 0.06 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.78 1ael n LYS 129 Cb 0.55 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1ael n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ael n LYS 130 N -0.05 0.00 0.00 1.97 0.00 -1.26 -4.59 118.16 114.23 1ael n LYS 130 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.49 1ael n LYS 130 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.76 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49