#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ael n PHE 2 N 0.00 0.00 0.00 0.00 3.01 -1.26 -4.77 117.46 114.44 1ael n PHE 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ael n PHE 2 Cb 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.07 0.00 0.00 4.37 5.68 -1.25 -4.23 116.55 119.04 1ael n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ael n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ael n ASP 3 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ael n GLY 4 N 0.00 -1.61 3.47 6.12 0.00 0.78 -4.91 105.19 109.04 1ael n GLY 4 Ca 0.00 0.73 -0.17 0.00 0.00 0.00 0.00 46.02 46.58 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 0.62 0.01 -0.23 2.61 -4.23 -1.26 -3.51 115.64 109.64 1ael s THR 5 Ca 0.00 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.17 1ael s THR 5 Cb 0.00 -0.97 0.15 0.00 1.34 0.00 0.00 72.50 73.02 1ael s THR 5 CO 0.00 -0.03 1.13 0.26 -0.54 0.00 0.00 174.62 175.44 1ael s TRP 6 N -1.63 -0.29 -0.28 3.99 0.23 -1.26 -3.30 118.94 116.40 1ael s TRP 6 Ca -0.09 0.58 -0.01 0.00 -2.03 0.00 0.00 56.10 54.54 1ael s TRP 6 Cb -0.01 0.44 0.13 0.00 0.03 0.00 0.00 33.47 34.07 1ael s TRP 6 CO 0.06 -0.22 0.28 0.15 0.96 0.00 0.00 176.95 178.18 1ael s LYS 7 N -0.66 0.31 -0.30 4.98 1.02 -1.25 0.15 119.74 123.99 1ael s LYS 7 Ca 0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 1ael s LYS 7 Cb -0.02 -0.72 -0.10 0.00 -0.52 0.00 0.00 37.83 36.46 1ael s LYS 7 CO -0.04 -0.99 1.00 0.28 -0.92 0.00 0.00 175.35 174.68 1ael n VAL 8 N 5.31 0.00 -0.04 3.17 0.31 0.04 0.20 118.33 127.32 1ael n VAL 8 Ca -0.03 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.85 1ael n VAL 8 Cb 0.46 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.31 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 6.47 0.25 -3.39 4.52 1.82 0.29 -3.23 116.42 123.16 1ael h ASP 9 Ca 0.01 -0.47 -0.50 0.00 -0.39 0.00 0.00 57.03 55.68 1ael h ASP 9 Cb 0.69 -0.07 -0.14 0.00 0.68 0.00 0.00 39.33 40.50 1ael h ASP 9 CO 0.84 0.67 -0.56 0.00 -1.61 0.00 0.00 179.24 178.58 1ael s ARG 10 N -4.32 1.76 -0.28 0.28 3.03 -0.93 -5.00 118.95 113.49 1ael s ARG 10 Ca -0.15 -2.03 0.01 0.00 2.03 0.00 0.00 55.73 55.59 1ael s ARG 10 Cb 0.04 -0.64 0.16 0.00 -1.03 0.00 0.00 34.95 33.48 1ael s ARG 10 CO 0.73 -0.36 0.41 0.54 -1.13 0.00 0.00 175.30 175.49 1ael s ASN 11 N -3.52 0.26 0.00 -2.89 2.20 -1.26 -4.09 114.94 105.63 1ael s ASN 11 Ca 0.30 -0.21 0.00 0.00 -0.94 0.00 0.00 52.86 52.01 1ael s ASN 11 Cb 0.05 1.16 0.00 0.00 -2.00 0.00 0.00 41.25 40.46 1ael s ASN 11 CO 0.15 -0.34 0.00 -0.62 -2.94 0.00 0.00 177.10 173.35 1ael n GLU 12 N 5.36 0.00 -0.00 3.55 -0.58 0.22 -4.43 120.64 124.75 1ael n GLU 12 Ca -0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1ael n GLU 12 Cb 0.50 -0.08 0.16 0.00 -0.57 0.00 0.00 31.44 31.45 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 0.00 0.03 0.24 1.62 3.02 -1.26 -4.40 115.26 114.51 1ael n ASN 13 Ca 0.00 -1.83 0.07 0.00 -0.03 0.00 0.00 54.58 52.79 1ael n ASN 13 Cb 0.00 -0.00 0.57 0.00 -0.61 0.00 0.00 39.78 39.74 1ael n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ael h TYR 14 N 0.03 0.00 -0.03 3.10 3.20 -1.85 -1.37 116.97 120.06 1ael h TYR 14 Ca 0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1ael h TYR 14 Cb 0.01 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.29 1ael h TYR 14 CO 0.00 0.14 -0.96 1.49 -1.64 0.00 0.00 178.16 177.19 1ael h GLU 15 N 0.00 0.63 0.00 1.82 4.81 -1.86 -3.21 114.58 116.77 1ael h GLU 15 Ca -0.00 -0.64 -0.17 0.00 -0.13 0.00 0.00 59.36 58.42 1ael h GLU 15 Cb 0.26 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1ael h GLU 15 CO 0.02 1.24 -0.81 -0.22 -0.73 0.00 0.00 179.01 178.51 1ael h LYS 16 N 0.38 0.00 0.00 1.92 3.11 -1.89 -2.92 116.57 117.17 1ael h LYS 16 Ca -0.10 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.71 1ael h LYS 16 Cb 1.60 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.82 1ael h LYS 16 CO 0.18 0.81 -0.13 0.35 -2.81 0.00 0.00 179.45 177.85 1ael h PHE 17 N 0.00 0.00 0.00 1.91 3.04 -1.32 -2.27 116.94 118.31 1ael h PHE 17 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ael h PHE 17 Cb 1.59 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.10 1ael h PHE 17 CO 0.00 0.13 -0.00 0.52 -2.02 0.00 0.00 178.31 176.94 1ael h MET 18 N 0.00 0.00 -0.99 1.11 2.86 -1.58 -3.35 114.93 112.98 1ael h MET 18 Ca -0.00 0.00 0.35 0.00 -2.06 0.00 0.00 59.70 57.98 1ael h MET 18 Cb 0.36 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.86 1ael h MET 18 CO 0.02 0.09 0.50 1.49 1.06 0.00 0.00 176.91 180.07 1ael h GLU 19 N -1.00 0.18 0.00 1.72 4.57 -1.29 -1.16 114.58 117.60 1ael h GLU 19 Ca -0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1ael h GLU 19 Cb 0.09 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ael h GLU 19 CO -0.00 0.12 -0.46 0.87 -1.18 0.00 0.00 179.01 178.36 1ael h LYS 20 N 0.18 0.00 0.00 1.92 1.79 -1.57 -2.55 116.57 116.34 1ael h LYS 20 Ca 0.75 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 1ael h LYS 20 Cb 1.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1ael h LYS 20 CO -0.69 0.46 0.00 -1.33 -1.08 0.00 0.00 179.45 176.81 1ael n MET 21 N -3.35 0.69 0.00 3.15 2.81 -0.45 -4.74 117.12 115.24 1ael n MET 21 Ca 0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1ael n MET 21 Cb 0.64 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1ael n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ael n GLY 22 N 0.58 1.87 3.60 3.03 0.00 -1.17 -4.84 105.19 108.26 1ael n GLY 22 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ael n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ael s ILE 23 N -2.00 4.84 0.00 -0.61 1.09 -0.97 -4.87 121.20 118.68 1ael s ILE 23 Ca 0.00 0.95 0.00 0.00 -1.10 0.00 0.00 60.65 60.50 1ael s ILE 23 Cb 0.00 -4.10 0.00 0.00 -1.06 0.00 0.00 42.46 37.30 1ael s ILE 23 CO 0.00 -0.26 0.00 0.59 -0.10 0.00 0.00 174.94 175.17 1ael n ASN 24 N 6.12 0.00 0.27 3.58 3.02 -1.26 -4.30 115.26 122.69 1ael n ASN 24 Ca 0.01 -0.61 0.16 0.00 -0.03 0.00 0.00 54.58 54.12 1ael n ASN 24 Cb 0.48 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.24 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 -0.55 0.02 -0.00 2.41 -1.51 -1.99 -3.21 116.25 111.41 1ael h VAL 25 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1ael h VAL 25 Cb 0.00 1.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1ael h VAL 25 CO 0.00 0.01 0.00 1.62 -1.23 0.00 0.00 177.57 177.97 1ael h VAL 26 N 0.00 0.22 0.00 7.19 3.04 -1.98 0.63 116.25 125.35 1ael h VAL 26 Ca -0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1ael h VAL 26 Cb 0.61 1.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1ael h VAL 26 CO 0.00 0.00 -0.09 0.50 -1.01 0.00 0.00 177.57 176.97 1ael h LYS 27 N 0.00 0.00 -0.02 4.17 3.11 -1.94 -3.20 116.57 118.69 1ael h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1ael h LYS 27 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ael h LYS 27 CO -0.00 0.09 0.11 -0.09 -2.81 0.00 0.00 179.45 176.75 1ael h ARG 28 N 0.00 0.00 -6.73 1.90 2.43 0.11 -3.33 114.38 108.76 1ael h ARG 28 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 1ael h ARG 28 Cb 1.07 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1ael h ARG 28 CO 0.01 0.00 0.55 0.15 -1.51 0.00 0.00 179.97 179.18 1ael s LYS 29 N -4.21 4.51 0.00 0.20 3.01 -1.21 -3.78 119.74 118.25 1ael s LYS 29 Ca -0.05 1.92 0.00 0.00 -1.01 0.00 0.00 55.97 56.83 1ael s LYS 29 Cb 0.12 -3.20 0.00 0.00 -1.01 0.00 0.00 37.83 33.74 1ael s LYS 29 CO 0.39 -0.03 0.00 1.28 0.51 0.00 0.00 175.35 177.50 1ael n LEU 30 N 1.94 0.00 0.00 3.17 4.77 -1.26 -4.64 117.00 120.98 1ael n LEU 30 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ael n LEU 30 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ael n LEU 30 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1ael n GLY 31 N 0.00 3.28 7.00 -0.72 0.00 -1.25 -5.03 105.19 108.47 1ael n GLY 31 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 0.87 0.00 -1.36 4.61 0.00 -1.26 -4.90 120.51 118.48 1ael n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ael n ALA 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 14.00 0.00 -2.34 0.00 -0.00 -1.26 -4.93 115.22 120.70 1ael n HIS 33 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1ael n HIS 33 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 2.00 6.97 -0.10 0.41 -4.77 -1.26 -4.64 116.67 115.28 1ael s ASP 34 Ca 0.00 2.05 0.16 0.00 -3.30 0.00 0.00 52.55 51.46 1ael s ASP 34 Cb 0.00 -2.57 0.35 0.00 -1.09 0.00 0.00 42.92 39.61 1ael s ASP 34 CO 0.00 -0.59 1.16 -3.20 0.70 0.00 0.00 175.17 173.24 1ael n ASN 35 N 4.61 1.32 0.00 2.11 2.85 -1.26 -4.86 115.26 120.04 1ael n ASN 35 Ca 0.11 -2.87 0.00 0.00 -0.11 0.00 0.00 54.58 51.71 1ael n ASN 35 Cb 0.45 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1ael n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ael n LEU 36 N -0.45 0.00 -4.27 1.20 -0.00 -1.22 -4.36 117.00 107.90 1ael n LEU 36 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.05 1ael n LEU 36 Cb 0.85 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.20 1ael n LEU 36 CO -0.03 0.00 1.11 1.17 -0.00 0.00 0.00 177.39 179.64 1ael n LYS 37 N 0.00 0.06 -0.19 1.47 4.81 -1.24 -0.78 118.16 122.29 1ael n LYS 37 Ca 0.00 -0.67 -0.03 0.00 -0.87 0.00 0.00 58.31 56.75 1ael n LYS 37 Cb 0.00 -2.21 0.07 0.00 0.02 0.00 0.00 35.03 32.91 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 14.79 0.37 -0.67 3.14 7.12 -0.63 1.09 115.31 140.52 1ael h LEU 38 Ca 0.00 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.14 1ael h LEU 38 Cb 1.01 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.07 1ael h LEU 38 CO 1.04 0.24 -0.92 0.41 -0.13 0.00 0.00 178.44 179.08 1ael n THR 39 N -4.89 -2.06 -3.80 1.05 -1.04 0.72 0.15 114.28 104.40 1ael n THR 39 Ca 0.06 1.15 -0.14 0.00 -2.04 0.00 0.00 64.05 63.09 1ael n THR 39 Cb 0.17 -1.88 -0.15 0.00 -1.82 0.00 0.00 70.33 66.66 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 -5.03 -0.03 -0.33 12.58 1.01 -1.23 -2.79 121.20 125.38 1ael s ILE 40 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1ael s ILE 40 Cb 0.00 -0.10 0.13 0.00 0.01 0.00 0.00 42.46 42.50 1ael s ILE 40 CO 0.00 0.05 0.21 -0.89 0.00 0.00 0.00 174.94 174.31 1ael s THR 41 N 0.67 -0.04 0.46 2.92 2.01 -1.10 0.27 115.64 120.84 1ael s THR 41 Ca -0.05 -1.20 -0.21 0.00 0.31 0.00 0.00 61.69 60.54 1ael s THR 41 Cb -0.08 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.31 1ael s THR 41 CO -0.02 -0.81 0.40 0.00 -0.69 0.00 0.00 174.62 173.50 1ael n GLN 42 N 4.58 0.41 -2.73 4.92 1.13 -1.26 -0.56 117.38 123.87 1ael n GLN 42 Ca 0.05 0.15 -0.04 0.00 -1.94 0.00 0.00 57.00 55.22 1ael n GLN 42 Cb 0.40 -1.42 0.07 0.00 0.11 0.00 0.00 30.24 29.40 1ael n GLN 42 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ael n GLU 43 N 0.65 1.39 -2.72 -1.09 1.02 0.49 -4.72 120.64 115.66 1ael n GLU 43 Ca 0.11 -2.69 -0.01 0.00 -0.02 0.00 0.00 57.16 54.54 1ael n GLU 43 Cb 0.42 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1ael n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ael n GLY 44 N -0.62 -1.08 4.28 0.62 0.00 -1.26 -4.02 105.19 103.11 1ael n GLY 44 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.37 0.00 -4.26 1.61 4.13 -1.26 -4.95 115.26 109.16 1ael n ASN 45 Ca 0.02 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.94 1ael n ASN 45 Cb 0.47 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.81 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 -0.24 -3.66 3.52 4.81 -1.26 -4.26 118.16 117.07 1ael n LYS 46 Ca 0.00 -0.04 -0.09 0.00 -0.87 0.00 0.00 58.31 57.31 1ael n LYS 46 Cb 0.00 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.42 1ael n LYS 46 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1ael s PHE 47 N -2.25 -0.86 -1.17 5.64 -0.71 -1.23 0.19 117.98 117.58 1ael s PHE 47 Ca 0.51 1.76 -0.22 0.00 -1.04 0.00 0.00 56.93 57.94 1ael s PHE 47 Cb -0.19 0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 42.02 1ael s PHE 47 CO 0.73 -0.44 1.90 2.41 -1.34 0.00 0.00 175.22 178.48 1ael n THR 48 N 4.24 2.31 -3.04 -4.49 -1.04 0.28 -3.89 114.28 108.65 1ael n THR 48 Ca -0.21 -2.36 -0.32 0.00 -2.04 0.00 0.00 64.05 59.11 1ael n THR 48 Cb 0.57 -2.23 -0.06 0.00 -1.82 0.00 0.00 70.33 66.80 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 9.02 4.63 0.00 12.58 -7.23 0.30 -2.71 120.40 137.00 1ael s VAL 49 Ca 0.64 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.83 1ael s VAL 49 Cb 0.02 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1ael s VAL 49 CO 0.12 -0.25 0.00 0.29 -0.31 0.00 0.00 175.10 174.95 1ael n LYS 50 N -0.53 0.00 0.00 4.82 5.02 0.12 0.43 118.16 128.02 1ael n LYS 50 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 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 -2.78 1.97 2.13 0.37 -2.30 120.64 120.03 1ael n GLU 51 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1ael n GLU 51 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1ael n GLU 51 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ael n SER 52 N 0.00 6.06 -2.92 4.31 7.64 -1.04 -3.33 113.62 124.34 1ael n SER 52 Ca 0.00 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1ael n SER 52 Cb 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 61.87 1ael n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ael n SER 53 N 2.06 -1.68 -0.08 6.43 3.41 -1.24 -4.49 113.62 118.03 1ael n SER 53 Ca 0.31 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ael n SER 53 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.87 0.02 0.00 4.04 5.15 -1.26 -4.06 115.26 116.28 1ael n ASN 54 Ca 0.00 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1ael n ASN 54 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.36 0.00 -1.65 1.20 1.16 -1.26 -4.97 117.46 111.57 1ael n PHE 55 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 1ael n PHE 55 Cb 0.01 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.86 1ael n PHE 55 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ael n ARG 56 N -0.48 4.11 -1.75 3.97 5.12 -1.26 -4.89 116.66 121.47 1ael n ARG 56 Ca 0.00 -2.82 -0.42 0.00 -1.93 0.00 0.00 57.85 52.68 1ael n ARG 56 Cb 0.00 -2.73 -0.03 0.00 -1.16 0.00 0.00 32.46 28.54 1ael n ARG 56 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ael s ASN 57 N 1.33 5.51 -0.22 0.55 4.22 -1.26 -3.71 114.94 121.36 1ael s ASN 57 Ca 0.62 1.57 -0.35 0.00 -2.14 0.00 0.00 52.86 52.55 1ael s ASN 57 Cb 0.18 -2.52 0.15 0.00 1.28 0.00 0.00 41.25 40.34 1ael s ASN 57 CO -0.08 -1.97 1.25 -0.51 -2.04 0.00 0.00 177.10 173.75 1ael s ILE 58 N 8.18 0.00 0.04 0.54 1.10 -1.21 -4.98 121.20 124.87 1ael s ILE 58 Ca 0.92 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 61.12 1ael s ILE 58 Cb -0.27 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.31 1ael s ILE 58 CO 0.33 0.00 -0.19 -0.62 -2.11 0.00 0.00 174.94 172.36 1ael s ASP 59 N -1.94 2.23 0.03 4.50 -1.08 -1.26 -2.58 116.67 116.57 1ael s ASP 59 Ca 0.09 -0.49 0.08 0.00 -0.52 0.00 0.00 52.55 51.71 1ael s ASP 59 Cb -0.01 -0.18 -0.03 0.00 -1.46 0.00 0.00 42.92 41.24 1ael s ASP 59 CO -0.04 0.13 -0.21 -0.69 0.52 0.00 0.00 175.17 174.88 1ael s VAL 60 N -0.78 2.55 -0.18 1.11 1.01 0.17 -4.93 120.40 119.35 1ael s VAL 60 Ca 0.06 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 1ael s VAL 60 Cb -0.08 -2.04 0.07 0.00 0.00 0.00 0.00 36.38 34.33 1ael s VAL 60 CO 0.01 0.38 0.14 -0.69 0.00 0.00 0.00 175.10 174.94 1ael s VAL 61 N -0.86 -0.18 -0.18 2.92 1.01 -1.25 0.11 120.40 121.97 1ael s VAL 61 Ca 0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1ael s VAL 61 Cb -0.10 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1ael s VAL 61 CO 0.04 -0.26 0.46 0.72 0.00 0.00 0.00 175.10 176.06 1ael s PHE 62 N 2.21 -0.56 -0.86 5.22 -0.12 -1.26 -4.90 117.98 117.72 1ael s PHE 62 Ca 0.04 1.31 -0.20 0.00 -0.05 0.00 0.00 56.93 58.02 1ael s PHE 62 Cb -0.16 0.22 -0.22 0.00 -0.63 0.00 0.00 43.02 42.24 1ael s PHE 62 CO -0.10 -0.29 2.34 0.39 -0.05 0.00 0.00 175.22 177.51 1ael n GLU 63 N 3.28 0.35 0.00 1.99 1.02 -1.26 -3.58 120.64 122.44 1ael n GLU 63 Ca -0.16 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1ael n GLU 63 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 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 12.69 0.00 0.00 -4.62 7.99 -1.26 -4.02 117.00 127.78 1ael n LEU 64 Ca 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.56 1ael n LEU 64 Cb 0.29 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1ael n LEU 64 CO 0.81 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.30 1ael n GLY 65 N 0.00 -0.38 1.18 -0.72 0.00 -0.17 -4.53 105.19 100.57 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 3.33 0.00 0.00 0.00 173.32 176.65 1ael n VAL 66 N -1.14 -4.03 -0.91 1.61 0.24 -1.26 -4.37 118.33 108.49 1ael n VAL 66 Ca 0.00 1.69 -0.34 0.00 -2.04 0.00 0.00 64.34 63.65 1ael n VAL 66 Cb 0.00 -2.54 0.10 0.00 -1.47 0.00 0.00 33.84 29.93 1ael n VAL 66 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ael n ASP 67 N 0.06 -2.35 0.00 -1.34 5.68 -1.26 -4.36 116.55 112.98 1ael n ASP 67 Ca 0.00 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.65 1ael n ASP 67 Cb 0.00 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 38.82 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 -3.25 0.00 -0.11 2.11 3.72 -1.20 -4.97 117.46 113.76 1ael n PHE 68 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1ael n PHE 68 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 -3.00 0.00 -4.09 4.37 0.00 -0.42 -4.91 120.51 112.47 1ael n ALA 69 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ael n ALA 69 Cb 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.56 2.78 1.02 0.00 5.04 -1.03 -4.63 117.35 118.97 1ael s TYR 70 Ca 0.00 -1.74 -0.18 0.00 -2.44 0.00 0.00 57.07 52.71 1ael s TYR 70 Cb 0.00 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 1ael s TYR 70 CO 0.00 -0.80 -0.40 -1.13 -1.34 0.00 0.00 175.55 171.87 1ael n SER 71 N 4.60 -3.33 -4.45 4.32 3.41 -1.25 -2.28 113.62 114.64 1ael n SER 71 Ca -0.19 0.11 -0.44 0.00 -0.26 0.00 0.00 58.87 58.09 1ael n SER 71 Cb 0.48 -0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 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 2.95 5.18 -0.85 1.04 1.98 -1.26 -4.60 118.68 123.11 1ael s LEU 72 Ca 0.48 -2.73 -0.16 0.00 -2.89 0.00 0.00 54.13 48.82 1ael s LEU 72 Cb -0.11 -2.38 0.02 0.00 0.66 0.00 0.00 46.19 44.38 1ael s LEU 72 CO 0.71 -0.81 0.31 0.00 -1.89 0.00 0.00 176.35 174.67 1ael n ALA 73 N 5.70 -1.93 -0.30 5.97 0.00 -1.26 -2.14 120.51 126.55 1ael n ALA 73 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ael n ALA 73 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.26 -0.21 -1.42 0.00 9.92 -1.26 -5.00 116.55 117.32 1ael n ASP 74 Ca -0.11 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.03 1ael n ASP 74 Cb 0.39 -0.06 0.11 0.00 -0.64 0.00 0.00 41.12 40.92 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 -0.41 5.76 5.00 0.44 0.00 -0.91 -4.71 105.19 110.37 1ael n GLY 75 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.91 0.00 0.00 2.61 5.66 -1.26 -4.35 114.28 116.03 1ael n THR 76 Ca 0.34 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1ael n THR 76 Cb 0.86 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 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 0.00 0.00 -3.70 1.09 4.71 -1.26 -3.90 120.64 117.58 1ael n GLU 77 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 1ael n GLU 77 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.28 1ael n GLU 77 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ael s LEU 78 N 0.00 1.67 -0.32 -4.62 1.02 -0.97 -3.48 118.68 111.98 1ael s LEU 78 Ca 0.00 -1.37 0.05 0.00 0.02 0.00 0.00 54.13 52.82 1ael s LEU 78 Cb 0.00 -0.71 0.54 0.00 0.02 0.00 0.00 46.19 46.05 1ael s LEU 78 CO 0.00 -0.39 1.67 0.35 0.02 0.00 0.00 176.35 178.00 1ael n THR 79 N 4.97 2.61 -2.22 5.49 -2.24 -0.61 -1.30 114.28 120.98 1ael n THR 79 Ca -0.05 -1.41 -0.12 0.00 -2.27 0.00 0.00 64.05 60.20 1ael n THR 79 Cb 0.43 -0.54 0.07 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.54 0.27 2.57 3.38 0.00 -1.04 -4.22 105.19 105.61 1ael n GLY 80 Ca 0.42 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1ael n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ael s THR 81 N -1.68 0.75 -0.65 2.61 -4.23 -1.26 -3.22 115.64 107.95 1ael s THR 81 Ca 0.35 -2.22 -0.27 0.00 -1.18 0.00 0.00 61.69 58.36 1ael s THR 81 Cb -0.02 -1.53 -0.12 0.00 1.34 0.00 0.00 72.50 72.18 1ael s THR 81 CO 0.23 -0.98 2.49 0.79 -0.54 0.00 0.00 174.62 176.62 1ael n TRP 82 N 3.65 1.16 -3.49 3.99 7.02 -1.26 -4.40 117.44 124.12 1ael n TRP 82 Ca 0.13 0.19 -0.03 0.00 -1.02 0.00 0.00 57.50 56.77 1ael n TRP 82 Cb 0.37 -2.54 0.00 0.00 -2.42 0.00 0.00 31.31 26.72 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 7.86 0.00 -0.10 -0.99 -2.24 0.72 -1.00 114.28 118.53 1ael n THR 83 Ca 0.46 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1ael n THR 83 Cb 0.40 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.69 0.00 -0.82 -0.78 0.00 -1.26 0.23 117.12 113.80 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.29 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 0.30 3.17 2.13 0.31 -4.71 120.64 121.84 1ael n GLU 85 Ca 0.00 0.00 0.20 0.00 0.66 0.00 0.00 57.16 58.02 1ael n GLU 85 Cb 0.00 0.00 0.99 0.00 0.27 0.00 0.00 31.44 32.70 1ael n GLU 85 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1ael h GLY 86 N 0.00 0.00 -2.84 8.31 0.00 -2.00 -3.22 103.07 103.31 1ael h GLY 86 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1ael h GLY 86 CO 0.00 0.00 -0.58 1.16 0.00 0.00 0.00 176.54 177.12 1ael n ASN 87 N -2.99 -0.25 0.00 0.19 6.94 -1.26 -5.05 115.26 112.85 1ael n ASN 87 Ca -0.02 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1ael n ASN 87 Cb 0.14 0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1ael n ASN 87 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ael n LYS 88 N -0.04 0.00 -0.51 -3.83 2.85 -1.22 -4.50 118.16 110.92 1ael n LYS 88 Ca -0.14 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.84 1ael n LYS 88 Cb 0.87 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 35.47 1ael n LYS 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ael n LEU 89 N 0.00 -1.71 -3.16 -5.58 7.94 -1.26 0.11 117.00 113.35 1ael n LEU 89 Ca 0.00 -0.34 0.03 0.00 -1.11 0.00 0.00 56.01 54.59 1ael n LEU 89 Cb 0.00 -1.00 -0.00 0.00 0.53 0.00 0.00 43.42 42.94 1ael n LEU 89 CO 0.00 -3.47 0.09 -0.69 -1.11 0.00 0.00 177.39 172.21 1ael s VAL 90 N -2.22 -0.97 0.62 1.96 1.01 0.62 -4.30 120.40 117.11 1ael s VAL 90 Ca 0.58 -0.02 0.38 0.00 0.00 0.00 0.00 61.98 62.92 1ael s VAL 90 Cb -0.14 -1.00 0.38 0.00 0.00 0.00 0.00 36.38 35.61 1ael s VAL 90 CO 0.58 -0.02 2.15 1.23 0.00 0.00 0.00 175.10 179.05 1ael h GLY 91 N 8.01 0.00 0.00 4.51 0.00 0.82 0.21 103.07 116.61 1ael h GLY 91 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ael h GLY 91 CO 0.16 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.98 1ael n LYS 92 N -2.95 0.00 -3.14 4.80 4.76 -1.13 -4.06 118.16 116.45 1ael n LYS 92 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1ael n LYS 92 Cb 0.19 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 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 -0.05 117.46 119.43 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 -0.08 3.97 5.02 -1.04 -2.48 118.16 123.55 1ael n LYS 94 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1ael n LYS 94 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 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 -2.31 -0.06 1.97 5.12 -1.25 -1.57 116.66 118.55 1ael n ARG 95 Ca 0.00 -0.36 -0.08 0.00 -1.93 0.00 0.00 57.85 55.47 1ael n ARG 95 Cb 0.00 -0.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.73 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 -3.64 0.75 -0.32 1.55 0.31 -1.23 -1.73 118.33 114.03 1ael n VAL 96 Ca 0.03 -0.33 0.17 0.00 -0.01 0.00 0.00 64.34 64.21 1ael n VAL 96 Cb 0.15 -0.91 0.37 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.45 0.00 4.52 3.58 -1.88 -3.38 116.42 119.70 1ael h ASP 97 Ca -0.29 0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 1ael h ASP 97 Cb 1.51 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 42.62 1ael h ASP 97 CO -0.03 -0.02 0.01 -3.20 -2.88 0.00 0.00 179.24 173.12 1ael n ASN 98 N -5.02 -0.65 -3.58 2.28 5.15 -1.26 -5.08 115.26 107.10 1ael n ASN 98 Ca 0.26 -1.43 -0.21 0.00 -0.60 0.00 0.00 54.58 52.59 1ael n ASN 98 Cb 0.77 0.46 0.01 0.00 -0.53 0.00 0.00 39.78 40.48 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 -0.42 -0.66 1.14 8.20 0.00 -0.70 -4.78 105.19 107.98 1ael n GLY 99 Ca -0.12 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.53 -1.36 -3.13 1.61 4.01 -1.26 -4.51 118.16 110.98 1ael n LYS 100 Ca -0.14 -0.58 -0.18 0.00 -0.51 0.00 0.00 58.31 56.90 1ael n LYS 100 Cb 0.38 -0.50 -0.02 0.00 -0.51 0.00 0.00 35.03 34.38 1ael n LYS 100 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ael n GLU 101 N -2.39 0.93 -0.35 1.97 4.71 -1.26 -2.50 120.64 121.74 1ael n GLU 101 Ca 0.05 -3.15 -0.10 0.00 -0.01 0.00 0.00 57.16 53.95 1ael n GLU 101 Cb 0.19 -1.55 -0.09 0.00 -1.01 0.00 0.00 31.44 28.98 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 3.18 -1.96 0.00 -4.62 3.38 -1.76 -1.83 115.31 111.71 1ael h LEU 102 Ca 0.07 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ael h LEU 102 Cb 0.97 0.86 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1ael h LEU 102 CO 0.45 -0.23 0.00 -0.38 0.09 0.00 0.00 178.44 178.37 1ael n ILE 103 N -5.07 0.00 0.00 1.22 2.08 0.92 0.33 119.36 118.84 1ael n ILE 103 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1ael n ILE 103 Cb 0.25 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 39.05 1ael n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ael n ALA 104 N 0.74 0.00 -1.00 -1.39 0.00 -1.26 0.30 120.51 117.90 1ael n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ael n ALA 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ael n ALA 104 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ael n VAL 105 N 0.00 0.00 0.00 0.00 0.24 0.76 -0.14 118.33 119.19 1ael n VAL 105 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ael n VAL 105 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1ael n VAL 105 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ael n ARG 106 N 0.00 0.00 0.00 7.34 0.63 0.21 -4.46 116.66 120.39 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 -1.66 -0.14 1.02 -1.20 -0.95 120.64 117.71 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 -9.01 -3.15 -3.67 3.06 -1.26 -3.45 119.36 101.88 1ael n ILE 108 Ca 0.00 2.54 0.05 0.00 -2.50 0.00 0.00 62.75 62.85 1ael n ILE 108 Cb 0.00 -4.18 -0.01 0.00 0.54 0.00 0.00 39.64 35.99 1ael n ILE 108 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1ael s SER 109 N -0.92 -0.60 -0.26 9.51 0.15 -1.26 -4.83 113.70 115.49 1ael s SER 109 Ca 0.00 0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 1ael s SER 109 Cb 0.00 1.45 0.02 0.00 -1.71 0.00 0.00 66.02 65.78 1ael s SER 109 CO 0.00 -0.11 0.10 0.61 1.20 0.00 0.00 173.24 175.04 1ael n GLY 110 N 5.35 -4.72 3.58 9.45 0.00 -1.26 -3.84 105.19 113.74 1ael n GLY 110 Ca -0.00 1.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.78 1ael n GLY 110 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ael n ASN 111 N 1.10 -2.78 -4.38 1.61 4.05 -1.26 -4.90 115.26 108.69 1ael n ASN 111 Ca -0.17 -0.50 -0.30 0.00 0.45 0.00 0.00 54.58 54.05 1ael n ASN 111 Cb 0.27 -2.35 -0.07 0.00 1.23 0.00 0.00 39.78 38.85 1ael n ASN 111 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1ael n GLU 112 N -3.66 0.64 0.00 1.20 4.71 -1.25 -5.03 120.64 117.25 1ael n GLU 112 Ca 0.03 -3.73 0.00 0.00 -0.01 0.00 0.00 57.16 53.44 1ael n GLU 112 Cb 0.51 1.50 0.00 0.00 -1.01 0.00 0.00 31.44 32.44 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 -4.37 -4.62 4.32 -1.25 -4.17 117.00 106.91 1ael n LEU 113 Ca -0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.72 1ael n LEU 113 Cb 0.66 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.33 1ael n LEU 113 CO 0.35 0.00 1.53 2.30 -1.22 0.00 0.00 177.39 180.35 1ael n ILE 114 N 0.00 0.00 -0.35 -0.08 -0.00 -0.12 -4.45 119.36 114.36 1ael n ILE 114 Ca 0.00 -0.45 0.33 0.00 -0.00 0.00 0.00 62.75 62.63 1ael n ILE 114 Cb 0.00 -0.53 0.59 0.00 -0.00 0.00 0.00 39.64 39.71 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 10.77 0.03 -6.23 6.28 4.20 -1.78 0.61 115.11 128.99 1ael h GLN 115 Ca 0.02 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1ael h GLN 115 Cb 1.06 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1ael h GLN 115 CO 1.28 0.02 -0.37 2.41 -0.67 0.00 0.00 178.83 181.50 1ael n THR 116 N -5.15 -1.02 -3.44 -0.54 -1.04 -1.18 0.27 114.28 102.18 1ael n THR 116 Ca 0.38 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.88 1ael n THR 116 Cb 1.31 -0.90 -0.09 0.00 -1.82 0.00 0.00 70.33 68.83 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 -3.13 3.24 -0.94 -1.42 1.51 -0.96 -2.83 117.35 112.82 1ael s TYR 117 Ca 0.06 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1ael s TYR 117 Cb -0.04 -2.83 0.28 0.00 -0.11 0.00 0.00 41.96 39.27 1ael s TYR 117 CO 0.32 -0.68 1.20 2.41 -1.11 0.00 0.00 175.55 177.69 1ael n THR 118 N 5.17 4.27 -2.09 -0.71 -1.04 1.01 0.03 114.28 120.91 1ael n THR 118 Ca -0.12 -5.65 -0.42 0.00 -2.04 0.00 0.00 64.05 55.82 1ael n THR 118 Cb 0.46 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 1ael n THR 118 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ael s TYR 119 N -2.54 2.57 0.00 -1.42 1.13 -0.69 -2.98 117.35 113.42 1ael s TYR 119 Ca 0.33 0.55 0.00 0.00 -1.41 0.00 0.00 57.07 56.55 1ael s TYR 119 Cb 0.06 -3.80 0.00 0.00 -1.10 0.00 0.00 41.96 37.12 1ael s TYR 119 CO 0.05 -3.14 0.00 -1.91 -2.51 0.00 0.00 175.55 168.04 1ael n GLU 120 N 5.75 -0.25 0.00 -3.49 4.07 -1.26 -1.44 120.64 124.02 1ael n GLU 120 Ca 0.15 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 1ael n GLU 120 Cb 0.42 -3.83 0.00 0.00 -0.06 0.00 0.00 31.44 27.97 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 -1.08 1.86 2.88 8.31 0.00 -1.16 -5.06 105.19 110.94 1ael n GLY 121 Ca 0.00 0.00 -0.29 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 -0.23 3.42 -1.63 1.61 0.31 -0.52 -5.02 118.33 116.26 1ael n VAL 122 Ca 0.00 -5.62 -0.49 0.00 -0.01 0.00 0.00 64.34 58.22 1ael n VAL 122 Cb 0.00 -1.46 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.15 1.61 -4.00 5.55 2.13 -1.13 -4.14 120.64 120.52 1ael n GLU 123 Ca 0.33 0.58 -0.29 0.00 0.66 0.00 0.00 57.16 58.44 1ael n GLU 123 Cb 0.38 -2.29 -0.17 0.00 0.27 0.00 0.00 31.44 29.63 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 0.88 1.70 0.00 4.31 0.00 0.10 -4.46 121.76 124.30 1ael s ALA 124 Ca 0.83 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ael s ALA 124 Cb -0.83 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1ael s ALA 124 CO 0.44 -0.38 0.00 1.63 0.00 0.00 0.00 175.76 177.44 1ael n LYS 125 N 4.81 0.00 0.00 0.00 4.01 -1.26 -2.25 118.16 123.47 1ael n LYS 125 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 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 0.68 116.66 123.17 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 -3.12 0.55 -0.00 -1.26 -4.75 119.36 110.78 1ael n ILE 127 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 1ael n ILE 127 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 1ael n ILE 127 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1ael s PHE 128 N -2.43 3.81 0.00 1.39 0.40 -1.25 0.24 117.98 120.14 1ael s PHE 128 Ca 0.00 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1ael s PHE 128 Cb 0.00 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.88 1ael s PHE 128 CO 0.00 0.48 1.84 1.63 0.70 0.00 0.00 175.22 179.87 1ael n LYS 129 N 2.00 0.98 0.00 0.44 5.02 0.55 -3.94 118.16 123.20 1ael n LYS 129 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1ael n LYS 129 Cb 0.50 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 1.39 0.00 0.00 1.97 0.00 -1.26 -4.00 118.16 116.26 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 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1ael n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49