#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 -3.16 -3.62 0.00 3.72 -1.26 -5.06 117.46 108.08 1ael n PHE 2 Ca 0.00 1.27 -0.09 0.00 -0.05 0.00 0.00 57.45 58.58 1ael n PHE 2 Cb 0.00 -3.61 -0.06 0.00 -0.94 0.00 0.00 39.48 34.86 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 -2.51 -0.41 0.00 4.37 -4.77 -1.26 -4.69 116.67 107.39 1ael s ASP 3 Ca 0.21 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 1ael s ASP 3 Cb -0.05 0.69 0.00 0.00 -1.09 0.00 0.00 42.92 42.47 1ael s ASP 3 CO 0.79 -0.20 0.00 0.61 0.70 0.00 0.00 175.17 177.07 1ael n GLY 4 N 1.76 2.20 3.71 2.12 0.00 0.50 -4.81 105.19 110.67 1ael n GLY 4 Ca -0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -0.20 2.61 -4.23 -1.26 -4.26 115.64 108.30 1ael s THR 5 Ca 0.00 -0.57 -0.36 0.00 -1.18 0.00 0.00 61.69 59.58 1ael s THR 5 Cb 0.00 -1.73 0.15 0.00 1.34 0.00 0.00 72.50 72.26 1ael s THR 5 CO 0.00 0.00 1.42 0.26 -0.54 0.00 0.00 174.62 175.76 1ael s TRP 6 N -3.47 -0.00 0.00 3.99 0.23 -1.26 -4.02 118.94 114.41 1ael s TRP 6 Ca 0.10 0.00 0.00 0.00 -2.03 0.00 0.00 56.10 54.17 1ael s TRP 6 Cb -0.02 0.50 0.00 0.00 0.03 0.00 0.00 33.47 33.98 1ael s TRP 6 CO 0.00 -0.01 0.00 1.63 0.96 0.00 0.00 176.95 179.53 1ael n LYS 7 N -0.25 0.00 -2.88 4.98 5.02 -1.26 -1.38 118.16 122.39 1ael n LYS 7 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1ael n LYS 7 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.65 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 -0.28 -0.18 0.31 -1.26 -3.59 118.33 113.22 1ael n VAL 8 Ca 0.00 -2.42 0.08 0.00 -0.01 0.00 0.00 64.34 61.99 1ael n VAL 8 Cb 0.00 0.74 0.20 0.00 -0.91 0.00 0.00 33.84 33.87 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 3.36 -0.33 -2.80 4.52 1.82 0.86 -3.43 116.42 120.43 1ael h ASP 9 Ca -0.05 0.21 -0.51 0.00 -0.39 0.00 0.00 57.03 56.29 1ael h ASP 9 Cb 1.03 0.36 -0.14 0.00 0.68 0.00 0.00 39.33 41.27 1ael h ASP 9 CO 0.29 -0.21 -0.62 0.00 -1.61 0.00 0.00 179.24 177.10 1ael s ARG 10 N -6.07 1.70 -0.24 0.28 3.03 -0.82 -5.00 118.95 111.83 1ael s ARG 10 Ca -0.13 -1.93 -0.02 0.00 2.03 0.00 0.00 55.73 55.67 1ael s ARG 10 Cb 0.24 -1.11 0.12 0.00 -1.03 0.00 0.00 34.95 33.17 1ael s ARG 10 CO 0.76 -0.10 0.32 0.54 -1.13 0.00 0.00 175.30 175.68 1ael s ASN 11 N -3.53 0.85 0.00 -2.89 4.22 -1.26 -4.07 114.94 108.27 1ael s ASN 11 Ca 0.35 -0.13 0.00 0.00 -2.14 0.00 0.00 52.86 50.93 1ael s ASN 11 Cb 0.08 0.78 0.00 0.00 1.28 0.00 0.00 41.25 43.39 1ael s ASN 11 CO 0.15 -0.33 0.00 -0.62 -2.04 0.00 0.00 177.10 174.27 1ael n GLU 12 N 5.34 0.00 0.26 3.55 -0.58 0.12 -4.58 120.64 124.75 1ael n GLU 12 Ca -0.04 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.81 1ael n GLU 12 Cb 0.49 0.00 0.69 0.00 -0.57 0.00 0.00 31.44 32.05 1ael n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1ael h ASN 13 N 0.00 0.00 0.00 1.62 -1.24 -1.78 -3.39 115.58 110.79 1ael h ASN 13 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ael h ASN 13 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1ael h ASN 13 CO 0.00 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.23 1ael n TYR 14 N -4.08 0.00 0.03 0.67 4.19 -1.26 0.11 117.16 116.82 1ael n TYR 14 Ca -0.03 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.11 1ael n TYR 14 Cb 0.17 -0.18 0.08 0.00 0.49 0.00 0.00 39.34 39.90 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 0.44 0.09 2.98 4.11 -1.89 -3.15 114.58 117.16 1ael h GLU 15 Ca 0.00 -0.28 -0.26 0.00 0.07 0.00 0.00 59.36 58.89 1ael h GLU 15 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ael h GLU 15 CO 0.00 0.88 -1.17 -0.22 0.07 0.00 0.00 179.01 178.57 1ael h LYS 16 N 0.34 0.20 -0.22 1.06 3.64 0.42 -2.90 116.57 119.11 1ael h LYS 16 Ca 0.00 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1ael h LYS 16 Cb 1.08 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1ael h LYS 16 CO 0.10 1.16 0.06 0.35 -2.27 0.00 0.00 179.45 178.85 1ael h PHE 17 N 0.05 0.30 0.04 1.91 3.04 -1.35 -2.33 116.94 118.59 1ael h PHE 17 Ca -0.10 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1ael h PHE 17 Cb 1.92 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1ael h PHE 17 CO 0.05 0.26 -0.02 0.52 -2.02 0.00 0.00 178.31 177.10 1ael h MET 18 N 0.30 -0.05 -0.95 1.11 2.86 -1.64 -3.35 114.93 113.21 1ael h MET 18 Ca 0.08 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.97 1ael h MET 18 Cb 0.11 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.65 1ael h MET 18 CO -0.00 0.57 0.46 1.49 1.06 0.00 0.00 176.91 180.49 1ael h GLU 19 N -0.94 0.38 0.00 1.72 4.57 -1.29 -1.87 114.58 117.15 1ael h GLU 19 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1ael h GLU 19 Cb 0.64 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1ael h GLU 19 CO 0.01 0.25 -0.03 0.87 -1.18 0.00 0.00 179.01 178.93 1ael h LYS 20 N 0.40 0.00 -0.11 1.92 1.57 -1.56 -2.03 116.57 116.76 1ael h LYS 20 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1ael h LYS 20 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1ael h LYS 20 CO -0.56 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.36 1ael n MET 21 N -3.16 1.47 0.00 3.15 0.00 -0.71 -4.83 117.12 113.05 1ael n MET 21 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 57.70 56.99 1ael n MET 21 Cb 0.29 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.15 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 1.01 1.80 0.13 3.17 0.00 -0.79 -4.78 105.19 105.73 1ael n GLY 22 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1ael n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ael h ILE 23 N 0.00 1.49 -3.30 -0.61 5.03 -1.46 -3.45 117.51 115.22 1ael h ILE 23 Ca 0.00 -2.55 0.38 0.00 -0.12 0.00 0.00 64.86 62.56 1ael h ILE 23 Cb 0.00 2.41 -0.13 0.00 -3.03 0.00 0.00 36.82 36.07 1ael h ILE 23 CO 0.00 0.74 -0.75 0.59 -0.68 0.00 0.00 178.15 178.05 1ael n ASN 24 N -3.67 -8.57 0.23 1.72 3.02 -1.24 -4.25 115.26 102.50 1ael n ASN 24 Ca -0.03 0.85 0.13 0.00 -0.03 0.00 0.00 54.58 55.50 1ael n ASN 24 Cb 0.78 -4.55 0.29 0.00 -0.61 0.00 0.00 39.78 35.68 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ael h VAL 25 N -1.37 0.01 -0.37 2.41 -1.51 -1.94 -3.29 116.25 110.18 1ael h VAL 25 Ca -0.04 -0.90 0.11 0.00 -1.23 0.00 0.00 66.70 64.64 1ael h VAL 25 Cb 1.36 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 1ael h VAL 25 CO 0.03 0.00 0.44 0.58 -1.23 0.00 0.00 177.57 177.40 1ael h VAL 26 N 0.00 0.33 0.00 7.19 2.07 -2.00 1.30 116.25 125.14 1ael h VAL 26 Ca -0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1ael h VAL 26 Cb 0.89 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1ael h VAL 26 CO 0.00 0.00 -0.85 0.11 0.02 0.00 0.00 177.57 176.85 1ael h LYS 27 N 0.00 0.00 -0.12 1.57 1.79 -1.74 -3.27 116.57 114.80 1ael h LYS 27 Ca 0.18 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1ael h LYS 27 Cb 1.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1ael h LYS 27 CO -0.00 0.84 0.31 -0.09 -1.08 0.00 0.00 179.45 179.42 1ael h ARG 28 N 0.00 0.00 -0.56 3.15 2.43 0.15 -2.36 114.38 117.19 1ael h ARG 28 Ca -0.01 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.32 1ael h ARG 28 Cb 1.65 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.18 1ael h ARG 28 CO 0.11 0.00 0.61 0.87 -1.51 0.00 0.00 179.97 180.05 1ael h LYS 29 N 0.00 0.00 0.01 0.20 6.56 -1.62 -1.32 116.57 120.40 1ael h LYS 29 Ca 0.06 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.27 1ael h LYS 29 Cb 0.67 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.28 1ael h LYS 29 CO -0.00 0.00 -2.13 1.28 -2.06 0.00 0.00 179.45 176.54 1ael n LEU 30 N -3.63 2.18 0.00 2.94 4.77 -0.89 -5.09 117.00 117.28 1ael n LEU 30 Ca 0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ael n LEU 30 Cb 0.83 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ael n LEU 30 CO 0.27 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1ael n GLY 31 N 1.55 0.74 0.82 -0.72 0.00 -0.50 -5.09 105.19 101.99 1ael n GLY 31 Ca -0.45 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 44.73 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 1.36 -1.51 -2.23 4.61 0.00 -1.26 -5.03 120.51 116.45 1ael n ALA 32 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1ael n ALA 32 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.45 -2.57 -0.41 0.00 -0.00 -1.26 -5.03 115.22 103.50 1ael n HIS 33 Ca -0.02 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.03 1ael n HIS 33 Cb 0.29 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.16 1ael n HIS 33 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ael n ASP 34 N -2.33 -0.56 -3.08 0.26 8.00 -1.26 -4.92 116.55 112.67 1ael n ASP 34 Ca 0.00 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.77 1ael n ASP 34 Cb 0.00 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1ael n ASP 34 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ael s ASN 35 N -0.30 -1.13 0.19 -2.24 2.47 -1.26 -4.87 114.94 107.80 1ael s ASN 35 Ca 0.19 -1.28 0.00 0.00 0.42 0.00 0.00 52.86 52.19 1ael s ASN 35 Cb -0.25 1.72 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 1ael s ASN 35 CO 0.18 -0.14 0.00 0.00 -3.72 0.00 0.00 177.10 173.42 1ael n LEU 36 N 3.83 -1.67 -2.89 3.21 -0.00 -1.26 -4.60 117.00 113.62 1ael n LEU 36 Ca 0.14 0.67 0.02 0.00 -0.00 0.00 0.00 56.01 56.84 1ael n LEU 36 Cb 0.55 1.85 0.00 0.00 -0.00 0.00 0.00 43.42 45.82 1ael n LEU 36 CO 0.01 0.13 0.38 -0.75 -0.00 0.00 0.00 177.39 177.16 1ael s LYS 37 N -2.00 0.32 0.22 1.47 2.20 -1.23 -4.61 119.74 116.11 1ael s LYS 37 Ca 0.00 -0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.45 1ael s LYS 37 Cb 0.00 0.04 0.34 0.00 -1.51 0.00 0.00 37.83 36.70 1ael s LYS 37 CO 0.00 -0.47 1.75 1.25 -0.36 0.00 0.00 175.35 177.52 1ael h LEU 38 N 5.87 0.29 -0.93 5.43 7.12 -1.41 -2.14 115.31 129.52 1ael h LEU 38 Ca -0.02 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1ael h LEU 38 Cb 1.22 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 1ael h LEU 38 CO -0.03 0.15 -0.98 0.41 -0.13 0.00 0.00 178.44 177.86 1ael n THR 39 N -4.97 -4.14 -4.08 1.05 -1.04 -0.87 0.11 114.28 100.33 1ael n THR 39 Ca 0.11 1.97 -0.16 0.00 -2.04 0.00 0.00 64.05 63.93 1ael n THR 39 Cb 0.31 -2.95 -0.15 0.00 -1.82 0.00 0.00 70.33 65.73 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 -4.61 0.32 -0.20 12.58 1.01 -1.26 -2.89 121.20 126.15 1ael s ILE 40 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1ael s ILE 40 Cb 0.00 -0.30 0.10 0.00 0.01 0.00 0.00 42.46 42.27 1ael s ILE 40 CO 0.00 0.11 0.37 -0.89 0.00 0.00 0.00 174.94 174.53 1ael s THR 41 N 0.13 -0.58 0.79 2.92 2.01 -1.18 0.19 115.64 119.92 1ael s THR 41 Ca -0.01 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 1ael s THR 41 Cb -0.04 -0.68 0.07 0.00 0.01 0.00 0.00 72.50 71.85 1ael s THR 41 CO -0.00 -0.01 1.09 -1.10 -0.69 0.00 0.00 174.62 173.91 1ael s GLN 42 N 2.54 2.12 -0.32 4.92 -0.21 -1.26 0.31 119.66 127.76 1ael s GLN 42 Ca 0.05 0.70 0.17 0.00 0.02 0.00 0.00 55.36 56.30 1ael s GLN 42 Cb -0.13 -1.92 0.46 0.00 1.00 0.00 0.00 33.01 32.42 1ael s GLN 42 CO -0.13 -1.61 1.12 -1.91 -2.12 0.00 0.00 175.29 170.64 1ael n GLU 43 N -3.44 1.34 0.00 2.91 0.00 0.13 -4.58 120.64 117.00 1ael n GLU 43 Ca 0.07 -2.88 0.00 0.00 0.00 0.00 0.00 57.16 54.35 1ael n GLU 43 Cb 0.56 -0.97 0.00 0.00 0.00 0.00 0.00 31.44 31.02 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ael n GLY 44 N -0.45 2.22 0.00 8.31 0.00 -1.26 -3.36 105.19 110.64 1ael n GLY 44 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ael n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ael n ASN 45 N 5.45 0.00 -4.27 1.61 3.02 -1.26 -4.97 115.26 114.84 1ael n ASN 45 Ca 0.00 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1ael n ASN 45 Cb 0.00 -0.05 0.23 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.22 -2.41 -3.69 3.52 4.81 -1.21 -4.34 118.16 113.63 1ael n LYS 46 Ca 0.00 -0.68 -0.11 0.00 -0.87 0.00 0.00 58.31 56.65 1ael n LYS 46 Cb 0.00 -1.92 -0.11 0.00 0.02 0.00 0.00 35.03 33.02 1ael n LYS 46 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1ael s PHE 47 N -2.29 -0.59 -1.26 5.64 0.40 -1.09 0.19 117.98 118.98 1ael s PHE 47 Ca 0.62 1.24 -0.19 0.00 -0.60 0.00 0.00 56.93 58.00 1ael s PHE 47 Cb -0.18 0.21 0.02 0.00 0.51 0.00 0.00 43.02 43.57 1ael s PHE 47 CO 0.64 -0.36 1.85 2.41 0.70 0.00 0.00 175.22 180.46 1ael n THR 48 N 4.66 3.28 -3.50 0.64 -1.04 0.15 -3.48 114.28 115.00 1ael n THR 48 Ca -0.18 -3.34 -0.30 0.00 -2.04 0.00 0.00 64.05 58.20 1ael n THR 48 Cb 0.53 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.67 1ael n THR 48 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ael s VAL 49 N 5.85 5.08 0.00 12.58 -7.23 -1.00 -3.09 120.40 132.59 1ael s VAL 49 Ca 0.57 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 1ael s VAL 49 Cb 0.04 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1ael s VAL 49 CO 0.08 -0.17 0.00 0.29 -0.31 0.00 0.00 175.10 174.99 1ael n LYS 50 N -0.51 0.00 -0.04 4.82 5.02 -0.63 0.19 118.16 127.00 1ael n LYS 50 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ael n LYS 50 Cb 0.53 -0.01 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 -3.07 1.97 2.13 0.30 -1.12 120.64 120.85 1ael n GLU 51 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1ael n GLU 51 Cb 0.00 -0.05 0.01 0.00 0.27 0.00 0.00 31.44 31.66 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 -1.51 5.96 0.00 4.31 0.01 -0.87 -3.23 113.70 118.38 1ael s SER 52 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 1ael s SER 52 Cb 0.00 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1ael s SER 52 CO 0.00 -0.60 0.00 -1.54 0.41 0.00 0.00 173.24 171.51 1ael n SER 53 N -2.01 0.00 -1.33 2.44 3.41 -1.26 -3.54 113.62 111.33 1ael n SER 53 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1ael n SER 53 Cb 0.57 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 3.41 0.00 4.04 4.05 -1.26 -4.58 115.26 120.92 1ael n ASN 54 Ca 0.00 -2.42 0.00 0.00 0.45 0.00 0.00 54.58 52.61 1ael n ASN 54 Cb 0.00 -0.62 0.00 0.00 1.23 0.00 0.00 39.78 40.39 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 0.17 0.00 0.42 1.20 3.72 -1.26 -4.98 117.46 116.73 1ael n PHE 55 Ca 0.14 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.59 1ael n PHE 55 Cb 0.76 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.33 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 0.00 0.90 -0.57 -1.08 1.74 -1.26 -5.08 116.66 111.32 1ael n ARG 56 Ca 0.00 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 1ael n ARG 56 Cb 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.32 -3.77 -3.51 0.55 2.85 -1.26 -5.04 115.26 105.39 1ael n ASN 57 Ca 0.05 0.44 -0.12 0.00 -0.11 0.00 0.00 54.58 54.84 1ael n ASN 57 Cb 0.23 -1.03 -0.03 0.00 1.24 0.00 0.00 39.78 40.19 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 -2.35 0.03 -0.07 -1.44 1.10 -1.20 -4.96 121.20 112.31 1ael s ILE 58 Ca 0.00 -0.22 0.03 0.00 -0.51 0.00 0.00 60.65 59.95 1ael s ILE 58 Cb 0.00 -1.05 -0.02 0.00 0.15 0.00 0.00 42.46 41.53 1ael s ILE 58 CO 0.00 -0.12 -0.16 1.51 -2.11 0.00 0.00 174.94 174.06 1ael s ASP 59 N -2.64 3.89 -0.33 4.50 -4.77 -1.21 -2.46 116.67 113.65 1ael s ASP 59 Ca 0.01 -0.27 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 1ael s ASP 59 Cb 0.00 -0.99 0.10 0.00 -1.09 0.00 0.00 42.92 40.94 1ael s ASP 59 CO -0.11 0.30 0.11 -0.69 0.70 0.00 0.00 175.17 175.47 1ael s VAL 60 N -0.43 1.12 -0.37 2.11 1.01 0.13 -4.98 120.40 118.99 1ael s VAL 60 Ca 0.05 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.26 1ael s VAL 60 Cb -0.12 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1ael s VAL 60 CO 0.02 -0.69 0.22 -0.69 0.00 0.00 0.00 175.10 173.96 1ael s VAL 61 N 1.38 4.79 -0.03 2.92 1.01 -1.26 -2.39 120.40 126.83 1ael s VAL 61 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1ael s VAL 61 Cb -0.18 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1ael s VAL 61 CO -0.20 -0.18 0.08 0.72 0.00 0.00 0.00 175.10 175.52 1ael s PHE 62 N 1.61 -0.07 0.00 5.22 -0.71 -1.23 -4.90 117.98 117.90 1ael s PHE 62 Ca 0.03 0.23 -0.10 0.00 -1.04 0.00 0.00 56.93 56.06 1ael s PHE 62 Cb -0.19 -0.04 -0.12 0.00 -1.21 0.00 0.00 43.02 41.47 1ael s PHE 62 CO 0.08 -0.07 1.12 0.39 -1.34 0.00 0.00 175.22 175.40 1ael n GLU 63 N 3.46 0.00 0.00 1.99 1.02 -1.26 -2.67 120.64 123.18 1ael n GLU 63 Ca -0.18 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1ael n GLU 63 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 6.09 0.00 -4.49 -4.62 4.77 -1.26 -4.37 117.00 113.12 1ael n LEU 64 Ca 0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1ael n LEU 64 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ael n LEU 64 CO 0.69 0.00 0.38 -0.83 -1.33 0.00 0.00 177.39 176.30 1ael s GLY 65 N 0.00 1.72 -0.26 -0.72 0.00 -1.21 -4.43 107.32 102.42 1ael s GLY 65 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.26 1ael s GLY 65 CO 0.00 1.54 0.36 0.54 0.00 0.00 0.00 173.10 175.54 1ael s VAL 66 N 2.82 -0.56 0.36 1.40 0.11 -1.26 -5.01 120.40 118.27 1ael s VAL 66 Ca 0.20 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 1ael s VAL 66 Cb -0.16 -0.88 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1ael s VAL 66 CO 0.16 -0.23 0.82 1.51 -3.33 0.00 0.00 175.10 174.03 1ael s ASP 67 N 2.50 6.85 -0.24 3.54 -4.77 -1.25 -4.73 116.67 118.56 1ael s ASP 67 Ca 0.11 1.45 -0.04 0.00 -3.30 0.00 0.00 52.55 50.77 1ael s ASP 67 Cb -0.14 -2.44 0.13 0.00 -1.09 0.00 0.00 42.92 39.38 1ael s ASP 67 CO -0.22 -0.26 0.44 -0.36 0.70 0.00 0.00 175.17 175.47 1ael s PHE 68 N -2.05 -0.98 -0.90 2.11 0.08 -1.25 -5.00 117.98 109.98 1ael s PHE 68 Ca 0.57 1.26 -0.24 0.00 0.12 0.00 0.00 56.93 58.63 1ael s PHE 68 Cb -0.10 0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.56 1ael s PHE 68 CO 0.16 -0.68 1.83 0.00 -0.10 0.00 0.00 175.22 176.43 1ael s ALA 69 N 2.64 1.92 0.00 5.36 0.00 -1.24 -4.25 121.76 126.18 1ael s ALA 69 Ca 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1ael s ALA 69 Cb -0.14 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.45 1ael s ALA 69 CO -0.16 -4.50 0.54 2.48 0.00 0.00 0.00 175.76 174.12 1ael n TYR 70 N 12.83 0.00 -0.72 0.00 4.11 -1.26 -4.77 117.16 127.35 1ael n TYR 70 Ca 0.37 -0.08 0.08 0.00 -0.00 0.00 0.00 57.90 58.27 1ael n TYR 70 Cb 0.48 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.77 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 -0.08 -3.89 -3.38 9.48 3.41 -1.26 -4.50 113.62 113.40 1ael n SER 71 Ca 0.00 0.75 -0.36 0.00 -0.26 0.00 0.00 58.87 59.00 1ael n SER 71 Cb 0.43 -2.39 -0.02 0.00 -0.26 0.00 0.00 64.21 61.96 1ael n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ael n LEU 72 N -3.02 7.30 0.00 1.04 -0.00 -1.25 -4.35 117.00 116.72 1ael n LEU 72 Ca -0.04 -3.92 0.00 0.00 -0.00 0.00 0.00 56.01 52.05 1ael n LEU 72 Cb 0.33 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.29 1ael n LEU 72 CO 0.02 1.42 0.00 0.00 -0.00 0.00 0.00 177.39 178.83 1ael n ALA 73 N 4.47 0.00 0.00 1.47 0.00 -1.26 -4.34 120.51 120.85 1ael n ALA 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1ael n ALA 73 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.53 0.00 -4.58 0.00 8.00 -1.26 -5.12 116.55 114.12 1ael n ASP 74 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1ael n ASP 74 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1ael n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ael s GLY 75 N -0.99 1.48 0.00 0.44 0.00 -1.26 -4.89 107.32 102.10 1ael s GLY 75 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1ael s GLY 75 CO 0.00 2.07 0.00 2.41 0.00 0.00 0.00 173.10 177.58 1ael n THR 76 N 6.36 0.00 -3.55 0.90 -1.04 -1.26 -3.82 114.28 111.87 1ael n THR 76 Ca 0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.00 1ael n THR 76 Cb 0.48 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1ael n THR 76 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ael s GLU 77 N 0.00 1.01 -0.39 -2.82 8.01 -1.26 -4.06 118.70 119.19 1ael s GLU 77 Ca 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 54.97 54.58 1ael s GLU 77 Cb 0.00 0.43 0.16 0.00 -4.31 0.00 0.00 34.13 30.41 1ael s GLU 77 CO 0.00 -0.45 0.36 -0.51 0.01 0.00 0.00 175.26 174.67 1ael s LEU 78 N -2.63 0.44 0.00 1.80 1.43 -1.26 -4.11 118.68 114.34 1ael s LEU 78 Ca 0.06 -2.15 0.02 0.00 -1.03 0.00 0.00 54.13 51.04 1ael s LEU 78 Cb -0.01 0.20 0.14 0.00 0.03 0.00 0.00 46.19 46.55 1ael s LEU 78 CO -0.07 -0.23 1.04 1.07 0.23 0.00 0.00 176.35 178.39 1ael n THR 79 N 3.69 0.00 -1.96 5.49 5.66 -0.99 -3.73 114.28 122.43 1ael n THR 79 Ca 0.17 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.89 1ael n THR 79 Cb 0.45 -0.07 0.09 0.00 -1.55 0.00 0.00 70.33 69.25 1ael n THR 79 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1ael s GLY 80 N -1.13 1.61 -0.52 1.09 0.00 -1.07 -4.57 107.32 102.73 1ael s GLY 80 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1ael s GLY 80 CO 0.03 -0.24 0.33 -1.08 0.00 0.00 0.00 173.10 172.14 1ael s THR 81 N -3.51 1.84 0.31 0.90 -1.32 -1.26 -3.89 115.64 108.71 1ael s THR 81 Ca 0.62 -3.18 -0.27 0.00 -1.21 0.00 0.00 61.69 57.66 1ael s THR 81 Cb -0.11 -2.25 -0.14 0.00 -1.51 0.00 0.00 72.50 68.49 1ael s THR 81 CO 0.48 -0.97 0.83 0.79 -2.21 0.00 0.00 174.62 173.55 1ael n TRP 82 N 2.92 0.61 -0.74 9.09 7.02 -1.24 -4.67 117.44 130.43 1ael n TRP 82 Ca 0.15 0.72 0.00 0.00 -1.02 0.00 0.00 57.50 57.34 1ael n TRP 82 Cb 0.36 -2.15 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 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 -0.10 0.00 -0.33 -0.99 -2.24 0.35 -3.35 114.28 107.62 1ael n THR 83 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ael n THR 83 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.00 0.00 -0.78 0.00 -1.26 0.18 117.12 115.26 1ael n MET 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ael n MET 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.18 -4.67 120.64 121.45 1ael n GLU 85 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ael n GLU 85 Cb 0.00 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 31.59 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 0.15 1.53 0.18 8.31 0.00 -1.26 -4.89 105.19 109.22 1ael n GLY 86 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1ael n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ael n ASN 87 N 0.00 2.06 -3.54 1.61 0.23 -1.26 -4.95 115.26 109.41 1ael n ASN 87 Ca 0.00 -1.81 0.01 0.00 -0.53 0.00 0.00 54.58 52.24 1ael n ASN 87 Cb 0.00 -0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 37.59 1ael n ASN 87 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1ael s LYS 88 N -0.84 0.22 0.88 -3.83 -2.85 -1.16 -4.21 119.74 107.94 1ael s LYS 88 Ca 0.06 0.43 -0.14 0.00 -1.00 0.00 0.00 55.97 55.32 1ael s LYS 88 Cb 0.03 0.13 0.22 0.00 -2.06 0.00 0.00 37.83 36.15 1ael s LYS 88 CO 0.05 -0.05 0.50 -0.11 0.10 0.00 0.00 175.35 175.83 1ael n LEU 89 N 3.88 0.00 -3.15 2.77 7.94 -1.26 0.47 117.00 127.66 1ael n LEU 89 Ca -0.15 -0.51 0.04 0.00 -1.11 0.00 0.00 56.01 54.29 1ael n LEU 89 Cb 0.56 -0.60 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 1ael n LEU 89 CO 0.01 -2.29 0.18 -0.69 -1.11 0.00 0.00 177.39 173.49 1ael s VAL 90 N -1.65 -0.92 -0.51 1.96 1.01 0.47 -4.42 120.40 116.35 1ael s VAL 90 Ca 0.39 0.00 0.21 0.00 0.00 0.00 0.00 61.98 62.58 1ael s VAL 90 Cb -0.07 -0.96 0.21 0.00 0.00 0.00 0.00 36.38 35.57 1ael s VAL 90 CO 0.32 0.00 1.64 0.61 0.00 0.00 0.00 175.10 177.67 1ael n GLY 91 N 5.41 -1.12 7.00 4.51 0.00 0.42 0.13 105.19 121.54 1ael n GLY 91 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.12 0.00 -3.07 1.61 4.76 -1.24 -3.64 118.16 114.46 1ael n LYS 92 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1ael n LYS 92 Cb 0.17 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.36 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 -0.34 0.00 0.00 2.13 1.16 -1.26 -1.48 117.46 117.66 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 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -1.21 -2.60 118.16 123.34 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 0.61 0.00 1.97 5.12 -1.26 -2.35 116.66 120.74 1ael n ARG 95 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 95 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 0.00 0.00 -0.47 1.55 0.31 -1.26 -4.03 118.33 114.43 1ael n VAL 96 Ca 0.00 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 64.71 1ael n VAL 96 Cb 0.00 -0.23 0.63 0.00 -0.91 0.00 0.00 33.84 33.33 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 -2.21 0.14 0.00 4.52 -0.08 -1.26 -4.34 116.55 113.33 1ael n ASP 97 Ca 0.00 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1ael n ASP 97 Cb 0.00 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1ael n ASP 97 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1ael n ASN 98 N -4.26 0.00 -0.29 1.67 2.85 -1.26 -5.11 115.26 108.86 1ael n ASN 98 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1ael n ASN 98 Cb 1.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.50 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 -0.04 -0.44 0.00 8.20 0.00 -1.26 -4.90 105.19 106.74 1ael n GLY 99 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 2.23 -2.82 1.61 4.01 -1.26 -4.79 118.16 117.11 1ael n LYS 100 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1ael n LYS 100 Cb 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 34.56 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 -0.39 1.09 -0.34 1.97 1.02 -1.04 -3.34 120.64 119.61 1ael n GLU 101 Ca 0.00 -2.90 -0.09 0.00 -0.02 0.00 0.00 57.16 54.15 1ael n GLU 101 Cb 0.00 -1.14 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.02 -0.86 -0.09 -4.62 4.77 -1.26 -1.16 117.00 113.76 1ael n LEU 102 Ca 0.11 1.48 -0.01 0.00 -0.03 0.00 0.00 56.01 57.55 1ael n LEU 102 Cb 0.77 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ael n LEU 102 CO 0.17 -1.19 -0.01 -0.38 -1.33 0.00 0.00 177.39 174.64 1ael n ILE 103 N -4.98 0.00 -0.04 -0.08 2.08 -0.55 0.19 119.36 115.98 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 0.21 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.42 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 1.02 0.01 -1.00 -1.39 0.00 -1.26 0.16 120.51 118.05 1ael n ALA 104 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ael n ALA 104 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1ael n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ael n VAL 105 N 0.17 0.00 0.00 0.00 0.31 -0.43 0.10 118.33 118.48 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 105 Cb 0.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.63 0.17 -4.49 116.66 118.52 1ael n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ael n ARG 106 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ael n ARG 106 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ael n GLU 107 N 0.00 0.00 -0.04 -0.14 1.02 -1.09 0.36 120.64 120.76 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 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -1.10 -3.15 -3.67 3.06 -1.26 -2.99 119.36 110.26 1ael n ILE 108 Ca 0.00 0.05 0.06 0.00 -2.50 0.00 0.00 62.75 60.36 1ael n ILE 108 Cb 0.00 -0.55 -0.01 0.00 0.54 0.00 0.00 39.64 39.62 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 -1.54 -0.35 -0.38 9.51 0.15 -1.26 -4.73 113.70 115.11 1ael s SER 109 Ca 0.00 0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.61 1ael s SER 109 Cb 0.00 1.25 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 1ael s SER 109 CO 0.00 -0.06 0.44 0.61 1.20 0.00 0.00 173.24 175.43 1ael n GLY 110 N 5.29 -1.57 3.68 9.45 0.00 -1.26 -3.49 105.19 117.29 1ael n GLY 110 Ca 0.01 0.99 -0.24 0.00 0.00 0.00 0.00 46.02 46.77 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 0.06 -4.20 -1.30 1.61 3.02 -1.26 -4.98 115.26 108.21 1ael n ASN 111 Ca 0.05 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1ael n ASN 111 Cb 0.41 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ael n GLU 112 N -4.63 1.33 -0.69 3.52 4.71 -1.23 -5.02 120.64 118.63 1ael n GLU 112 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.03 1ael n GLU 112 Cb 0.59 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.99 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 -0.39 -1.91 -4.62 4.77 -1.25 -4.38 117.00 109.21 1ael n LEU 113 Ca 0.00 -0.78 -0.06 0.00 -0.03 0.00 0.00 56.01 55.14 1ael n LEU 113 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ael n LEU 113 CO 0.00 0.89 0.72 2.30 -1.33 0.00 0.00 177.39 179.97 1ael n ILE 114 N 0.00 0.00 0.25 -0.08 -0.00 0.16 -4.26 119.36 115.43 1ael n ILE 114 Ca -0.11 -0.22 0.12 0.00 -0.00 0.00 0.00 62.75 62.54 1ael n ILE 114 Cb 0.42 0.00 0.63 0.00 -0.00 0.00 0.00 39.64 40.70 1ael n ILE 114 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ael h GLN 115 N 4.53 0.00 -3.74 6.28 1.08 -1.78 0.50 115.11 121.98 1ael h GLN 115 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ael h GLN 115 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1ael h GLN 115 CO 0.61 0.00 0.00 2.41 -0.95 0.00 0.00 178.83 180.90 1ael n THR 116 N -2.49 0.00 -3.20 -0.54 -1.04 -1.16 -1.31 114.28 104.54 1ael n THR 116 Ca -0.02 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.56 1ael n THR 116 Cb 0.30 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.74 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 -2.15 3.08 -1.00 -1.42 1.51 -1.08 -3.60 117.35 112.70 1ael s TYR 117 Ca 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1ael s TYR 117 Cb 0.00 -3.48 0.31 0.00 -0.11 0.00 0.00 41.96 38.67 1ael s TYR 117 CO 0.00 -1.00 1.44 2.41 -1.11 0.00 0.00 175.55 177.29 1ael n THR 118 N 5.54 5.04 0.04 -0.71 -1.04 0.49 -1.07 114.28 122.58 1ael n THR 118 Ca -0.08 -5.85 0.01 0.00 -2.04 0.00 0.00 64.05 56.09 1ael n THR 118 Cb 0.45 -1.96 0.03 0.00 -1.82 0.00 0.00 70.33 67.03 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 0.95 0.00 -1.41 -1.42 4.11 -0.31 -3.92 117.16 115.16 1ael n TYR 119 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.20 1ael n TYR 119 Cb 0.33 -0.39 -0.01 0.00 -0.00 0.00 0.00 39.34 39.27 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 -1.39 0.00 -0.21 -3.48 4.07 -1.26 -2.49 120.64 115.87 1ael n GLU 120 Ca 0.00 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 1ael n GLU 120 Cb 0.01 0.23 0.00 0.00 -0.06 0.00 0.00 31.44 31.62 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 0.87 0.42 8.31 0.00 -1.25 -4.99 105.19 108.56 1ael n GLY 121 Ca -0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.21 1.18 -0.78 1.61 0.31 -1.26 -5.12 118.33 112.06 1ael n VAL 122 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1ael n VAL 122 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 -3.85 -2.21 -3.93 5.55 2.13 -1.10 -4.94 120.64 112.29 1ael n GLU 123 Ca -0.08 1.62 -0.26 0.00 0.66 0.00 0.00 57.16 59.10 1ael n GLU 123 Cb 0.28 -1.81 -0.17 0.00 0.27 0.00 0.00 31.44 30.01 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 -2.17 1.26 0.00 4.31 0.00 -0.23 -4.34 121.76 120.59 1ael s ALA 124 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1ael s ALA 124 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1ael s ALA 124 CO 0.00 -0.39 0.00 1.63 0.00 0.00 0.00 175.76 177.00 1ael n LYS 125 N 4.89 0.00 0.00 0.00 4.01 -1.26 -2.63 118.16 123.17 1ael n LYS 125 Ca -0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1ael n LYS 125 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.15 116.66 122.64 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 -0.82 0.55 -0.00 -1.26 -4.74 119.36 113.09 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 0.11 0.00 -0.00 0.00 0.00 39.64 39.75 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 -0.93 -2.11 0.32 1.39 1.16 -1.24 0.12 117.46 116.17 1ael n PHE 128 Ca 0.00 0.19 0.08 0.00 -1.87 0.00 0.00 57.45 55.85 1ael n PHE 128 Cb 0.00 -1.68 -0.11 0.00 -1.61 0.00 0.00 39.48 36.08 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 -0.89 1.01 -0.96 3.97 5.02 -1.26 -3.67 118.16 121.38 1ael n LYS 129 Ca 0.04 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1ael n LYS 129 Cb 0.56 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.78 0.00 0.00 1.97 0.00 -1.26 -4.78 118.16 112.31 1ael n LYS 130 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1ael n LYS 130 Cb 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 35.03 34.89 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49