#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 0.16 -1.69 0.00 3.01 -1.26 -4.96 117.46 112.71 1ael n PHE 2 Ca 0.00 -0.08 -0.42 0.00 1.01 0.00 0.00 57.45 57.96 1ael n PHE 2 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1ael n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ael n ASP 3 N 0.09 2.60 0.00 4.37 5.75 -1.26 -4.26 116.55 123.85 1ael n ASP 3 Ca 0.16 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 56.11 1ael n ASP 3 Cb 0.28 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 38.89 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ael n GLY 4 N 0.81 0.55 3.63 6.12 0.00 0.49 -4.88 105.19 111.90 1ael n GLY 4 Ca 0.05 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 2.08 -0.13 2.61 -4.23 -1.26 -0.75 115.64 113.96 1ael s THR 5 Ca 0.00 -1.98 -0.34 0.00 -1.18 0.00 0.00 61.69 58.20 1ael s THR 5 Cb 0.00 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 71.01 1ael s THR 5 CO 0.00 -0.02 1.25 0.26 -0.54 0.00 0.00 174.62 175.57 1ael s TRP 6 N -2.68 -0.09 -0.30 3.99 0.23 -1.26 -4.04 118.94 114.79 1ael s TRP 6 Ca 0.36 0.02 -0.11 0.00 -2.03 0.00 0.00 56.10 54.34 1ael s TRP 6 Cb 0.08 0.53 0.18 0.00 0.03 0.00 0.00 33.47 34.28 1ael s TRP 6 CO 0.19 -0.22 0.94 0.15 0.96 0.00 0.00 176.95 178.97 1ael s LYS 7 N -2.40 0.29 -0.80 4.98 1.02 -1.26 -1.31 119.74 120.26 1ael s LYS 7 Ca 0.11 0.58 -0.23 0.00 0.02 0.00 0.00 55.97 56.45 1ael s LYS 7 Cb 0.01 0.33 -0.17 0.00 -0.52 0.00 0.00 37.83 37.48 1ael s LYS 7 CO -0.04 -0.26 2.38 0.28 -0.92 0.00 0.00 175.35 176.79 1ael n VAL 8 N 5.34 -0.01 0.09 3.17 0.31 -1.26 0.51 118.33 126.48 1ael n VAL 8 Ca -0.06 -0.52 -0.05 0.00 -0.01 0.00 0.00 64.34 63.70 1ael n VAL 8 Cb 0.53 -1.71 0.13 0.00 -0.91 0.00 0.00 33.84 31.87 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 12.97 0.23 0.00 4.52 1.82 -1.09 -3.38 116.42 131.50 1ael h ASP 9 Ca -0.01 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1ael h ASP 9 Cb 1.05 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.99 1ael h ASP 9 CO 1.12 0.78 0.00 -2.11 -1.61 0.00 0.00 179.24 177.43 1ael n ARG 10 N -3.86 1.44 0.00 0.28 -4.01 -1.14 -5.01 116.66 104.36 1ael n ARG 10 Ca -0.02 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 1ael n ARG 10 Cb 0.62 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.04 1ael n ARG 10 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1ael n ASN 11 N 0.00 0.00 0.00 2.89 6.94 -1.26 -4.90 115.26 118.93 1ael n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ael n ASN 11 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ael n ASN 11 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ael n GLU 12 N 0.00 0.00 -1.02 -3.83 -0.58 0.24 -4.48 120.64 110.97 1ael n GLU 12 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1ael n GLU 12 Cb 0.00 -0.27 0.06 0.00 -0.57 0.00 0.00 31.44 30.67 1ael n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ael n ASN 13 N -0.15 6.47 -0.01 1.62 3.02 -1.26 -4.51 115.26 120.44 1ael n ASN 13 Ca 0.00 -3.29 -0.01 0.00 -0.03 0.00 0.00 54.58 51.25 1ael n ASN 13 Cb 0.00 -0.99 -0.12 0.00 -0.61 0.00 0.00 39.78 38.06 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 -0.17 0.63 0.02 3.10 9.36 -1.26 -3.57 117.16 125.27 1ael n TYR 14 Ca 0.42 0.21 -0.10 0.00 3.32 0.00 0.00 57.90 61.75 1ael n TYR 14 Cb 0.70 -1.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.33 1ael n TYR 14 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1ael h GLU 15 N 0.00 -0.14 0.00 2.98 3.07 -1.88 -3.32 114.58 115.30 1ael h GLU 15 Ca -0.24 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 1ael h GLU 15 Cb 1.68 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1ael h GLU 15 CO 0.04 0.35 -0.02 -0.22 -1.40 0.00 0.00 179.01 177.76 1ael h LYS 16 N -0.89 0.00 -0.34 2.33 3.64 -1.93 -3.19 116.57 116.19 1ael h LYS 16 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1ael h LYS 16 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ael h LYS 16 CO 0.02 0.02 0.01 0.35 -2.27 0.00 0.00 179.45 177.58 1ael h PHE 17 N 0.00 0.54 0.11 1.91 3.04 -1.65 -2.17 116.94 118.71 1ael h PHE 17 Ca -0.00 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1ael h PHE 17 Cb 0.56 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1ael h PHE 17 CO 0.00 0.53 -0.05 0.52 -2.02 0.00 0.00 178.31 177.28 1ael h MET 18 N 0.50 -0.14 -0.77 1.11 2.86 -1.65 -3.34 114.93 113.50 1ael h MET 18 Ca 0.11 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.94 1ael h MET 18 Cb 0.32 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 31.87 1ael h MET 18 CO 0.01 0.30 0.00 1.49 1.06 0.00 0.00 176.91 179.77 1ael h GLU 19 N -0.94 0.09 0.00 1.72 4.81 -1.56 -2.30 114.58 116.41 1ael h GLU 19 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ael h GLU 19 Cb 0.50 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1ael h GLU 19 CO 0.02 0.06 0.00 0.87 -0.73 0.00 0.00 179.01 179.24 1ael h LYS 20 N 0.10 0.00 -0.01 1.92 1.79 -1.51 -0.56 116.57 118.30 1ael h LYS 20 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1ael h LYS 20 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1ael h LYS 20 CO -0.68 0.00 -0.24 0.00 -1.08 0.00 0.00 179.45 177.45 1ael n MET 21 N -3.08 0.89 0.00 3.15 0.00 -0.87 -4.89 117.12 112.32 1ael n MET 21 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 57.70 57.16 1ael n MET 21 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.87 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 1.33 0.95 0.26 3.17 0.00 -0.24 -4.78 105.19 105.88 1ael n GLY 22 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 0.88 -0.04 -0.61 5.03 -1.46 -3.47 117.51 117.84 1ael h ILE 23 Ca 0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1ael h ILE 23 Cb 0.00 1.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1ael h ILE 23 CO 0.00 0.07 0.00 -3.20 -0.68 0.00 0.00 178.15 174.34 1ael n ASN 24 N -4.21 -0.12 0.27 1.72 2.85 -1.24 -3.68 115.26 110.85 1ael n ASN 24 Ca -0.03 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.60 1ael n ASN 24 Cb 0.15 0.00 0.57 0.00 1.24 0.00 0.00 39.78 41.75 1ael n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1ael h VAL 25 N 0.00 0.01 -1.21 3.44 -1.51 -1.95 -3.35 116.25 111.67 1ael h VAL 25 Ca 0.00 -0.62 0.35 0.00 -1.23 0.00 0.00 66.70 65.20 1ael h VAL 25 Cb 0.00 1.62 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 1ael h VAL 25 CO 0.00 0.00 0.87 -0.37 -1.23 0.00 0.00 177.57 176.84 1ael h VAL 26 N 0.00 0.39 0.00 7.19 -1.51 -1.96 1.21 116.25 121.58 1ael h VAL 26 Ca -0.00 -0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.39 1ael h VAL 26 Cb 0.62 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1ael h VAL 26 CO 0.00 0.00 -0.38 0.07 -1.23 0.00 0.00 177.57 176.03 1ael h LYS 27 N 0.01 0.00 -0.17 5.19 2.10 -1.75 -3.29 116.57 118.66 1ael h LYS 27 Ca 0.58 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 59.28 1ael h LYS 27 Cb 2.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.63 1ael h LYS 27 CO -0.02 0.38 0.50 -0.09 -2.00 0.00 0.00 179.45 178.23 1ael h ARG 28 N 0.00 0.00 0.21 0.07 1.12 0.13 0.27 114.38 116.18 1ael h ARG 28 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1ael h ARG 28 Cb 1.30 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1ael h ARG 28 CO 0.05 0.00 -0.12 0.87 -3.11 0.00 0.00 179.97 177.66 1ael h LYS 29 N 0.00 -0.30 -4.44 0.20 6.56 -1.67 -3.39 116.57 113.54 1ael h LYS 29 Ca 0.08 0.02 -0.63 0.00 -1.06 0.00 0.00 60.65 59.06 1ael h LYS 29 Cb 1.08 0.07 -0.39 0.00 -0.57 0.00 0.00 32.23 32.42 1ael h LYS 29 CO -0.00 -0.20 -0.76 -0.51 -2.06 0.00 0.00 179.45 175.92 1ael s LEU 30 N -10.16 3.41 0.35 2.94 1.02 0.96 -5.11 118.68 112.09 1ael s LEU 30 Ca -0.15 -1.61 -0.26 0.00 0.02 0.00 0.00 54.13 52.14 1ael s LEU 30 Cb 0.05 -1.35 -0.13 0.00 0.02 0.00 0.00 46.19 44.79 1ael s LEU 30 CO 0.65 -0.30 0.91 0.61 0.02 0.00 0.00 176.35 178.24 1ael n GLY 31 N 4.51 -0.51 7.00 -3.19 0.00 -1.25 -4.48 105.19 107.28 1ael n GLY 31 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.19 0.00 0.00 4.61 0.00 -1.26 -4.90 120.51 118.77 1ael n ALA 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ael n ALA 32 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1ael n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ael n HIS 33 N 2.41 0.00 -4.32 0.00 -0.00 -1.26 -4.99 115.22 107.05 1ael n HIS 33 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1ael n HIS 33 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 1ael n HIS 33 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ael s ASP 34 N 0.00 5.29 -0.36 0.41 1.11 -1.26 -4.50 116.67 117.36 1ael s ASP 34 Ca 0.00 0.14 -0.05 0.00 0.18 0.00 0.00 52.55 52.82 1ael s ASP 34 Cb 0.00 -1.56 0.22 0.00 1.07 0.00 0.00 42.92 42.64 1ael s ASP 34 CO 0.00 0.35 1.06 -3.20 1.18 0.00 0.00 175.17 174.57 1ael n ASN 35 N 2.33 -1.71 0.00 0.27 5.15 -1.25 -4.92 115.26 115.13 1ael n ASN 35 Ca -0.18 -1.28 0.00 0.00 -0.60 0.00 0.00 54.58 52.52 1ael n ASN 35 Cb 0.54 0.87 0.00 0.00 -0.53 0.00 0.00 39.78 40.66 1ael n ASN 35 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ael n LEU 36 N 2.54 0.00 -3.03 1.20 7.94 -1.26 -4.54 117.00 119.85 1ael n LEU 36 Ca 0.12 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.04 1ael n LEU 36 Cb 0.64 0.26 -0.00 0.00 0.53 0.00 0.00 43.42 44.85 1ael n LEU 36 CO -0.10 -0.26 0.28 -0.75 -1.11 0.00 0.00 177.39 175.45 1ael s LYS 37 N -0.85 0.48 0.24 1.96 2.20 -1.20 -4.63 119.74 117.94 1ael s LYS 37 Ca 0.00 -0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 1ael s LYS 37 Cb 0.00 0.08 0.41 0.00 -1.51 0.00 0.00 37.83 36.81 1ael s LYS 37 CO 0.00 -0.73 1.77 1.25 -0.36 0.00 0.00 175.35 177.28 1ael h LEU 38 N 6.54 0.49 -0.85 5.43 7.12 -1.39 -1.90 115.31 130.75 1ael h LEU 38 Ca -0.00 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1ael h LEU 38 Cb 1.20 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1ael h LEU 38 CO 0.02 0.25 -0.98 0.41 -0.13 0.00 0.00 178.44 178.01 1ael n THR 39 N -4.86 -3.13 -3.68 1.05 -1.04 -0.75 0.18 114.28 102.05 1ael n THR 39 Ca 0.13 1.55 -0.09 0.00 -2.04 0.00 0.00 64.05 63.60 1ael n THR 39 Cb 0.33 -2.53 -0.10 0.00 -1.82 0.00 0.00 70.33 66.21 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 -5.32 -0.16 -0.15 12.58 1.01 0.07 -2.91 121.20 126.30 1ael s ILE 40 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1ael s ILE 40 Cb 0.00 -0.70 0.05 0.00 0.01 0.00 0.00 42.46 41.83 1ael s ILE 40 CO 0.00 0.04 0.07 -0.89 0.00 0.00 0.00 174.94 174.15 1ael s THR 41 N 1.71 0.11 0.74 2.92 2.01 -1.05 0.18 115.64 122.25 1ael s THR 41 Ca -0.08 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1ael s THR 41 Cb -0.09 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 71.82 1ael s THR 41 CO -0.14 -0.17 1.24 0.00 -0.69 0.00 0.00 174.62 174.86 1ael s GLN 42 N 2.06 2.04 0.38 4.92 1.03 -1.26 0.93 119.66 129.75 1ael s GLN 42 Ca 0.02 1.87 -0.07 0.00 0.04 0.00 0.00 55.36 57.21 1ael s GLN 42 Cb -0.16 -1.81 0.03 0.00 0.03 0.00 0.00 33.01 31.10 1ael s GLN 42 CO -0.08 -1.94 0.63 -1.21 -2.54 0.00 0.00 175.29 170.15 1ael s GLU 43 N -3.83 2.12 -0.71 9.60 2.02 0.22 -4.63 118.70 123.49 1ael s GLU 43 Ca 0.77 -1.68 -0.25 0.00 0.02 0.00 0.00 54.97 53.83 1ael s GLU 43 Cb -0.32 0.53 -0.14 0.00 0.10 0.00 0.00 34.13 34.30 1ael s GLU 43 CO 0.46 -0.94 2.42 0.41 0.02 0.00 0.00 175.26 177.63 1ael n GLY 44 N -0.57 -0.09 5.00 -1.39 0.00 -1.26 -3.49 105.19 103.38 1ael n GLY 44 Ca -0.03 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 15.34 0.00 -3.73 1.61 3.02 -1.26 -4.83 115.26 125.41 1ael n ASN 45 Ca 0.47 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.72 1ael n ASN 45 Cb 0.40 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.84 1ael n ASN 45 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1ael s LYS 46 N 0.00 -2.06 -0.18 3.52 -2.85 -1.23 -3.84 119.74 113.10 1ael s LYS 46 Ca 0.00 0.16 -0.09 0.00 -1.00 0.00 0.00 55.97 55.03 1ael s LYS 46 Cb 0.00 -1.48 0.06 0.00 -2.06 0.00 0.00 37.83 34.36 1ael s LYS 46 CO 0.00 -4.31 0.43 -0.06 0.10 0.00 0.00 175.35 171.51 1ael s PHE 47 N -2.56 -0.66 -1.14 1.78 0.40 -0.77 0.71 117.98 115.73 1ael s PHE 47 Ca 0.69 1.38 -0.21 0.00 -0.60 0.00 0.00 56.93 58.19 1ael s PHE 47 Cb -0.14 0.30 -0.07 0.00 0.51 0.00 0.00 43.02 43.62 1ael s PHE 47 CO 0.58 -0.38 1.91 2.41 0.70 0.00 0.00 175.22 180.44 1ael n THR 48 N 4.43 2.30 -3.67 0.64 -1.04 0.26 -3.64 114.28 113.56 1ael n THR 48 Ca -0.21 -2.32 -0.28 0.00 -2.04 0.00 0.00 64.05 59.20 1ael n THR 48 Cb 0.55 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 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 8.53 5.19 0.00 12.58 -7.23 0.12 -2.53 120.40 137.05 1ael s VAL 49 Ca 0.63 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1ael s VAL 49 Cb 0.03 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.27 1ael s VAL 49 CO 0.12 -0.13 0.00 0.29 -0.31 0.00 0.00 175.10 175.07 1ael n LYS 50 N -0.50 0.00 0.00 4.82 5.02 -1.04 0.22 118.16 126.68 1ael n LYS 50 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1ael n LYS 50 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -3.89 1.97 2.13 0.48 -1.85 120.64 119.48 1ael n GLU 51 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1ael n GLU 51 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 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 -1.33 6.37 -0.25 4.31 0.01 -0.73 -3.42 113.70 118.66 1ael s SER 52 Ca 0.00 0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.64 1ael s SER 52 Cb 0.00 -1.97 0.27 0.00 0.21 0.00 0.00 66.02 64.52 1ael s SER 52 CO 0.00 0.16 1.20 -1.54 0.41 0.00 0.00 173.24 173.47 1ael n SER 53 N 0.28 -1.11 -0.69 2.44 3.41 -1.26 -3.27 113.62 113.43 1ael n SER 53 Ca -0.05 -1.88 -0.09 0.00 -0.26 0.00 0.00 58.87 56.60 1ael n SER 53 Cb 0.51 0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.93 -5.74 0.00 4.04 2.85 -1.26 -3.83 115.26 110.39 1ael n ASN 54 Ca -0.12 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1ael n ASN 54 Cb 0.75 -4.05 0.00 0.00 1.24 0.00 0.00 39.78 37.72 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 -2.15 -0.21 -3.14 1.20 7.35 -1.26 -4.97 117.46 114.28 1ael n PHE 55 Ca -0.09 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.40 1ael n PHE 55 Cb 0.58 0.08 -0.03 0.00 0.35 0.00 0.00 39.48 40.45 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 -1.67 1.45 -1.65 -4.13 1.74 -1.26 -5.08 116.66 106.06 1ael n ARG 56 Ca 0.00 -3.70 -0.47 0.00 -0.77 0.00 0.00 57.85 52.91 1ael n ARG 56 Cb 0.00 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.59 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 0.24 3.42 -3.61 0.55 2.85 -1.26 -4.58 115.26 112.87 1ael n ASN 57 Ca 0.26 0.85 -0.01 0.00 -0.11 0.00 0.00 54.58 55.57 1ael n ASN 57 Cb 0.59 -1.40 -0.01 0.00 1.24 0.00 0.00 39.78 40.20 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 4.78 0.00 -0.13 -1.44 2.07 -1.22 -5.00 121.20 120.25 1ael s ILE 58 Ca 0.94 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 60.14 1ael s ILE 58 Cb -0.64 -1.42 -0.00 0.00 0.13 0.00 0.00 42.46 40.52 1ael s ILE 58 CO 0.49 0.00 -0.19 1.51 -1.91 0.00 0.00 174.94 174.84 1ael s ASP 59 N -2.48 3.44 -0.18 4.50 -4.77 -1.25 -2.95 116.67 112.98 1ael s ASP 59 Ca 0.12 -0.50 -0.05 0.00 -3.30 0.00 0.00 52.55 48.82 1ael s ASP 59 Cb 0.02 -1.50 -0.03 0.00 -1.09 0.00 0.00 42.92 40.32 1ael s ASP 59 CO -0.04 0.12 0.00 -0.69 0.70 0.00 0.00 175.17 175.26 1ael s VAL 60 N 0.61 4.15 -0.49 2.11 1.01 0.13 -4.96 120.40 122.96 1ael s VAL 60 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ael s VAL 60 Cb -0.16 -2.85 0.42 0.00 0.00 0.00 0.00 36.38 33.78 1ael s VAL 60 CO 0.03 0.46 1.30 0.52 0.00 0.00 0.00 175.10 177.41 1ael n VAL 61 N 3.78 2.64 -2.28 2.92 0.31 -1.25 0.13 118.33 124.58 1ael n VAL 61 Ca -0.17 -4.66 -0.42 0.00 -0.01 0.00 0.00 64.34 59.08 1ael n VAL 61 Cb 0.52 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.18 1ael n VAL 61 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ael s PHE 62 N -3.65 3.32 -0.59 3.52 -0.12 -1.24 -4.49 117.98 114.74 1ael s PHE 62 Ca 0.50 1.21 -0.12 0.00 -0.05 0.00 0.00 56.93 58.47 1ael s PHE 62 Cb 0.41 -3.55 -0.11 0.00 -0.63 0.00 0.00 43.02 39.14 1ael s PHE 62 CO -0.19 -1.75 1.78 -1.91 -0.05 0.00 0.00 175.22 173.10 1ael n GLU 63 N 3.17 1.27 0.00 1.99 2.13 -1.26 -1.86 120.64 126.08 1ael n GLU 63 Ca 0.08 -1.33 0.00 0.00 0.66 0.00 0.00 57.16 56.57 1ael n GLU 63 Cb 0.44 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1ael n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ael n LEU 64 N 5.87 0.00 0.00 4.31 4.77 -1.25 -4.42 117.00 126.27 1ael n LEU 64 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ael n LEU 64 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ael n LEU 64 CO 0.82 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ael n GLY 65 N 0.00 0.30 0.63 -0.72 0.00 -1.26 -4.12 105.19 100.02 1ael n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ael n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ael n VAL 66 N 0.00 -2.63 -0.69 1.61 3.14 -1.26 -4.61 118.33 113.89 1ael n VAL 66 Ca 0.00 0.89 -0.32 0.00 -2.96 0.00 0.00 64.34 61.95 1ael n VAL 66 Cb 0.00 -1.84 0.16 0.00 -1.06 0.00 0.00 33.84 31.11 1ael n VAL 66 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1ael n ASP 67 N -0.15 -2.32 -2.46 6.55 5.68 -1.26 -4.23 116.55 118.36 1ael n ASP 67 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 54.79 54.22 1ael n ASP 67 Cb 0.00 -1.00 0.10 0.00 -1.14 0.00 0.00 41.12 39.07 1ael n ASP 67 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1ael n PHE 68 N -4.28 -1.48 -1.66 2.11 3.72 -1.24 -4.88 117.46 109.75 1ael n PHE 68 Ca 0.02 -1.59 -0.16 0.00 -0.05 0.00 0.00 57.45 55.67 1ael n PHE 68 Cb 0.61 1.25 -0.10 0.00 -0.94 0.00 0.00 39.48 40.29 1ael n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ael s ALA 69 N -0.25 0.66 0.00 4.37 0.00 -0.80 -3.94 121.76 121.80 1ael s ALA 69 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1ael s ALA 69 Cb 0.38 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1ael s ALA 69 CO -0.11 -6.56 0.00 2.48 0.00 0.00 0.00 175.76 171.58 1ael n TYR 70 N 18.90 0.00 0.00 0.00 0.18 -1.26 -4.81 117.16 130.17 1ael n TYR 70 Ca 0.43 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.21 1ael n TYR 70 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 1ael n TYR 70 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1ael n SER 71 N -0.89 0.00 -4.56 9.48 3.41 -1.25 -4.57 113.62 115.24 1ael n SER 71 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1ael n SER 71 Cb 0.09 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1ael n SER 71 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ael s LEU 72 N 0.00 4.08 -0.10 1.04 1.98 -1.22 -4.50 118.68 119.96 1ael s LEU 72 Ca 0.00 0.09 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 1ael s LEU 72 Cb 0.00 -3.13 0.00 0.00 0.66 0.00 0.00 46.19 43.73 1ael s LEU 72 CO 0.00 -0.99 0.04 0.00 -1.89 0.00 0.00 176.35 173.51 1ael n ALA 73 N 6.99 -1.11 -1.34 5.97 0.00 -1.26 -3.40 120.51 126.35 1ael n ALA 73 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ael n ALA 73 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.79 0.00 0.00 9.92 -1.26 -5.11 116.55 118.84 1ael n ASP 74 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1ael n ASP 74 Cb 0.05 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1ael n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ael n GLY 75 N 0.02 -0.65 1.61 0.44 0.00 -1.22 -4.80 105.19 100.59 1ael n GLY 75 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1ael n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ael n THR 76 N 0.00 0.32 -3.00 2.61 -1.04 -1.26 -4.88 114.28 107.03 1ael n THR 76 Ca 0.00 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ael n THR 76 Cb 0.00 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1ael n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ael n GLU 77 N -3.21 0.00 0.00 -2.82 1.02 -1.26 -4.22 120.64 110.14 1ael n GLU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ael n GLU 77 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.00 -2.76 -4.62 4.77 -1.24 -3.37 117.00 109.77 1ael n LEU 78 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1ael n LEU 78 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ael n LEU 78 CO 0.00 0.00 1.43 0.35 -1.33 0.00 0.00 177.39 177.84 1ael n THR 79 N 0.00 3.52 0.00 -5.08 -2.24 -1.03 -1.90 114.28 107.55 1ael n THR 79 Ca 0.00 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.73 1ael n THR 79 Cb 0.00 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1ael n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ael n GLY 80 N -0.62 0.42 0.00 3.38 0.00 -0.25 -4.67 105.19 103.44 1ael n GLY 80 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.00 -2.02 2.61 -2.24 -1.26 -4.00 114.28 107.37 1ael n THR 81 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 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 -0.62 -1.22 -2.79 4.78 7.02 -1.26 -4.07 117.44 119.27 1ael n TRP 82 Ca 0.00 0.49 -0.22 0.00 -1.02 0.00 0.00 57.50 56.75 1ael n TRP 82 Cb 0.00 -2.46 0.09 0.00 -2.42 0.00 0.00 31.31 26.52 1ael n TRP 82 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1ael s THR 83 N -2.04 2.11 0.00 -0.99 -4.23 -0.96 -4.14 115.64 105.39 1ael s THR 83 Ca 0.06 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1ael s THR 83 Cb -0.02 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1ael s THR 83 CO 0.28 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.51 1ael n MET 84 N -2.58 3.04 -2.66 3.99 0.00 -1.26 0.19 117.12 117.84 1ael n MET 84 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.82 1ael n MET 84 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.84 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 0.11 0.00 3.17 2.13 0.25 -4.73 120.64 121.56 1ael n GLU 85 Ca 0.00 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.20 1ael n GLU 85 Cb 0.00 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 31.69 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 -0.29 1.96 0.28 8.31 0.00 -1.26 -4.01 105.19 110.17 1ael n GLY 86 Ca -0.24 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 7.40 0.24 0.00 1.61 4.13 -1.26 -4.74 115.26 122.64 1ael n ASN 87 Ca 0.00 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.41 1ael n ASN 87 Cb 0.00 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1ael n LYS 88 N -0.06 0.00 -0.05 3.52 2.85 -1.13 -4.32 118.16 118.97 1ael n LYS 88 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 1ael n LYS 88 Cb 0.06 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.49 1ael n LYS 88 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ael n LEU 89 N 0.00 0.00 -3.27 -5.58 4.32 -1.26 0.86 117.00 112.07 1ael n LEU 89 Ca 0.00 -0.16 0.03 0.00 -0.02 0.00 0.00 56.01 55.86 1ael n LEU 89 Cb 0.00 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1ael n LEU 89 CO 0.00 -1.74 0.39 -0.69 -1.22 0.00 0.00 177.39 174.14 1ael s VAL 90 N -1.17 -0.70 -0.98 4.08 1.01 0.51 -4.50 120.40 118.65 1ael s VAL 90 Ca 0.12 0.00 0.21 0.00 0.00 0.00 0.00 61.98 62.32 1ael s VAL 90 Cb -0.02 -1.00 0.18 0.00 0.00 0.00 0.00 36.38 35.54 1ael s VAL 90 CO 0.10 0.00 1.68 0.61 0.00 0.00 0.00 175.10 177.49 1ael n GLY 91 N 5.35 -1.24 7.00 4.51 0.00 0.37 -2.26 105.19 118.93 1ael n GLY 91 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.54 0.00 -3.67 1.61 4.76 -1.24 -4.23 118.16 113.85 1ael n LYS 92 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1ael n LYS 92 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 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 0.00 0.00 0.00 2.13 1.16 -1.26 -0.48 117.46 119.01 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 -1.22 -1.09 118.16 124.83 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 2.89 -0.52 0.00 0.00 177.40 179.77 1ael n ARG 95 N 0.00 0.00 0.00 1.97 0.00 -1.26 -2.46 116.66 114.91 1ael n ARG 95 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1ael n ARG 95 Cb 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 1ael n ARG 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ael n VAL 96 N -0.99 0.00 -0.58 8.89 0.31 -1.26 -3.71 118.33 120.99 1ael n VAL 96 Ca 0.00 0.00 0.46 0.00 -0.01 0.00 0.00 64.34 64.79 1ael n VAL 96 Cb 0.00 0.00 0.75 0.00 -0.91 0.00 0.00 33.84 33.68 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 0.11 0.00 4.52 1.82 -1.91 -3.26 116.42 117.70 1ael h ASP 97 Ca 0.00 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1ael h ASP 97 Cb 0.00 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1ael h ASP 97 CO 0.00 -0.14 -0.06 -3.20 -1.61 0.00 0.00 179.24 174.23 1ael n ASN 98 N -4.36 -0.21 -4.26 2.28 2.85 -1.26 -5.03 115.26 105.27 1ael n ASN 98 Ca 0.42 -0.56 -0.33 0.00 -0.11 0.00 0.00 54.58 54.01 1ael n ASN 98 Cb 1.77 0.06 -0.06 0.00 1.24 0.00 0.00 39.78 42.79 1ael n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ael n GLY 99 N 0.00 -0.27 0.69 8.20 0.00 -1.23 -4.92 105.19 107.66 1ael n GLY 99 Ca -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.40 0.35 -3.04 1.61 4.01 -1.26 -4.43 118.16 111.00 1ael n LYS 100 Ca -0.15 -0.12 -0.15 0.00 -0.51 0.00 0.00 58.31 57.37 1ael n LYS 100 Cb 0.60 -0.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.81 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 -0.57 1.00 -0.19 1.97 1.02 -1.26 -3.46 120.64 119.15 1ael n GLU 101 Ca 0.01 -3.04 -0.13 0.00 -0.02 0.00 0.00 57.16 53.98 1ael n GLU 101 Cb 0.05 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 1ael n GLU 101 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ael h LEU 102 N 2.98 -1.84 0.00 -4.62 4.07 -1.77 0.89 115.31 115.01 1ael h LEU 102 Ca 0.03 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1ael h LEU 102 Cb 1.02 0.77 0.00 0.00 1.08 0.00 0.00 40.66 43.53 1ael h LEU 102 CO 0.41 -0.35 0.00 -0.38 -1.08 0.00 0.00 178.44 177.05 1ael n ILE 103 N -5.22 0.00 -0.17 1.22 2.08 0.37 0.34 119.36 117.98 1ael n ILE 103 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1ael n ILE 103 Cb 0.31 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 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 1.00 0.07 -2.48 -1.39 0.00 -1.26 0.14 120.51 116.58 1ael n ALA 104 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1ael n ALA 104 Cb 0.20 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 1ael n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ael s VAL 105 N 0.09 5.25 -0.13 0.00 0.11 0.57 0.13 120.40 126.42 1ael s VAL 105 Ca 0.00 -0.49 0.29 0.00 -2.93 0.00 0.00 61.98 58.85 1ael s VAL 105 Cb 0.00 -3.88 0.33 0.00 -1.53 0.00 0.00 36.38 31.30 1ael s VAL 105 CO 0.00 -0.23 1.87 -0.09 -3.33 0.00 0.00 175.10 173.32 1ael h ARG 106 N 8.59 0.00 0.00 1.54 9.65 -1.80 -1.78 114.38 130.59 1ael h ARG 106 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1ael h ARG 106 Cb 1.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1ael h ARG 106 CO 0.71 0.00 0.00 0.39 2.80 0.00 0.00 179.97 183.87 1ael n GLU 107 N -2.69 0.00 -0.67 0.20 1.02 -1.26 0.28 120.64 117.52 1ael n GLU 107 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1ael n GLU 107 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 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 -2.80 -3.15 -3.67 3.06 -1.26 -2.82 119.36 108.72 1ael n ILE 108 Ca 0.00 1.00 0.05 0.00 -2.50 0.00 0.00 62.75 61.30 1ael n ILE 108 Cb 0.00 -1.44 -0.03 0.00 0.54 0.00 0.00 39.64 38.71 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 -2.45 -0.01 -0.70 9.51 0.15 -1.26 -4.75 113.70 114.19 1ael s SER 109 Ca 0.00 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1ael s SER 109 Cb 0.00 1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 1ael s SER 109 CO 0.00 -0.00 0.59 0.61 1.20 0.00 0.00 173.24 175.64 1ael n GLY 110 N 5.17 -0.21 3.09 9.45 0.00 -1.26 -3.85 105.19 117.59 1ael n GLY 110 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.44 -7.64 0.00 1.61 5.03 -1.26 -5.02 115.26 105.54 1ael n ASN 111 Ca -0.11 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.18 1ael n ASN 111 Cb 0.59 -5.26 0.00 0.00 -1.02 0.00 0.00 39.78 34.09 1ael n ASN 111 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1ael n GLU 112 N -1.95 0.10 0.00 3.52 4.07 -1.25 -5.10 120.64 120.03 1ael n GLU 112 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1ael n GLU 112 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 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 -1.59 4.31 4.77 -1.25 -4.60 117.00 118.65 1ael n LEU 113 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1ael n LEU 113 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ael n LEU 113 CO 0.00 0.00 0.93 -0.38 -1.33 0.00 0.00 177.39 176.61 1ael n ILE 114 N 0.00 2.11 0.00 -0.08 2.08 0.81 -3.71 119.36 120.57 1ael n ILE 114 Ca 0.00 -0.97 0.00 0.00 0.56 0.00 0.00 62.75 62.34 1ael n ILE 114 Cb 0.00 -1.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 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 0.13 0.00 -3.40 0.38 1.13 -0.71 -4.53 117.38 110.38 1ael n GLN 115 Ca 0.23 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.18 1ael n GLN 115 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.16 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 0.00 -0.83 -3.28 5.09 -1.04 -0.95 0.21 114.28 113.47 1ael n THR 116 Ca 0.00 -0.09 -0.45 0.00 -2.04 0.00 0.00 64.05 61.47 1ael n THR 116 Cb 0.00 -0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 67.72 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 -3.53 3.17 -1.07 -1.42 1.51 -0.92 -3.17 117.35 111.92 1ael s TYR 117 Ca 0.08 -0.89 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 1ael s TYR 117 Cb -0.04 -3.47 0.25 0.00 -0.11 0.00 0.00 41.96 38.59 1ael s TYR 117 CO 0.27 -0.95 2.06 2.41 -1.11 0.00 0.00 175.55 178.23 1ael n THR 118 N 5.36 5.48 -1.49 -0.71 -1.04 1.03 -0.71 114.28 122.20 1ael n THR 118 Ca -0.11 -5.19 -0.14 0.00 -2.04 0.00 0.00 64.05 56.57 1ael n THR 118 Cb 0.43 -1.67 -0.11 0.00 -1.82 0.00 0.00 70.33 67.16 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 0.45 0.68 -3.58 -1.42 4.11 0.30 -2.99 117.16 114.72 1ael n TYR 119 Ca 0.52 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.90 58.19 1ael n TYR 119 Cb 0.27 -1.82 0.06 0.00 -0.00 0.00 0.00 39.34 37.85 1ael n TYR 119 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1ael n GLU 120 N 7.33 -5.50 0.00 -3.48 1.02 -1.23 -4.10 120.64 114.68 1ael n GLU 120 Ca 0.47 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 1ael n GLU 120 Cb 0.37 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 1ael n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ael n GLY 121 N -1.38 1.63 0.00 0.62 0.00 -1.16 -5.03 105.19 99.87 1ael n GLY 121 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.32 0.00 0.00 1.61 0.31 -1.26 -5.10 118.33 112.58 1ael n VAL 122 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ael n VAL 122 Cb 0.00 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.17 0.00 -3.72 5.55 2.13 -0.92 -4.81 120.64 118.69 1ael n GLU 123 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 1ael n GLU 123 Cb 0.00 0.00 -0.18 0.00 0.27 0.00 0.00 31.44 31.53 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 -0.16 0.47 0.00 4.31 0.00 0.12 -4.34 121.76 122.15 1ael s ALA 124 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ael s ALA 124 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1ael s ALA 124 CO 0.00 -0.47 0.00 1.63 0.00 0.00 0.00 175.76 176.92 1ael n LYS 125 N 5.21 0.00 0.00 0.00 4.01 -1.26 -2.17 118.16 123.95 1ael n LYS 125 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 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 0.80 116.66 123.29 1ael n ARG 126 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ael n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ael n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ael n ILE 127 N 0.00 0.00 -0.99 0.55 -0.00 -1.24 -4.84 119.36 112.83 1ael n ILE 127 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.37 1ael n ILE 127 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 39.67 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 0.45 -2.07 -0.69 1.39 1.16 -1.16 -0.81 117.46 115.74 1ael n PHE 128 Ca 0.00 0.53 0.06 0.00 -1.87 0.00 0.00 57.45 56.17 1ael n PHE 128 Cb 0.00 -1.38 0.09 0.00 -1.61 0.00 0.00 39.48 36.58 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 2.48 1.89 0.00 3.97 5.02 1.96 -3.90 118.16 129.58 1ael n LYS 129 Ca -0.02 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1ael n LYS 129 Cb 0.71 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.09 0.00 0.00 1.97 0.00 -1.26 -4.60 118.16 113.19 1ael n LYS 130 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1ael n LYS 130 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49