#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure n PHE 2 N 0.00 0.21 -3.99 0.00 -1.74 -1.26 -4.90 117.46 105.78 1ure n PHE 2 Ca 0.00 -0.78 -0.32 0.00 -0.56 0.00 0.00 57.45 55.80 1ure n PHE 2 Cb 0.00 -0.15 -0.15 0.00 1.52 0.00 0.00 39.48 40.70 1ure n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ure s ASP 3 N -2.29 4.81 0.00 5.98 1.01 -1.26 -4.74 116.67 120.19 1ure s ASP 3 Ca 0.32 -2.18 0.00 0.00 0.71 0.00 0.00 52.55 51.40 1ure s ASP 3 Cb 0.37 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.65 1ure s ASP 3 CO -0.15 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.45 1ure n GLY 4 N 4.25 -0.37 3.92 0.21 0.00 -0.42 -5.02 105.19 107.77 1ure n GLY 4 Ca 0.03 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 1ure n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ure s THR 5 N -4.00 4.98 -0.19 2.61 -1.32 -1.26 0.16 115.64 116.62 1ure s THR 5 Ca 0.00 -1.09 -0.04 0.00 -1.21 0.00 0.00 61.69 59.35 1ure s THR 5 Cb 0.00 -3.68 0.09 0.00 -1.51 0.00 0.00 72.50 67.40 1ure s THR 5 CO 0.00 -0.30 0.25 0.26 -2.21 0.00 0.00 174.62 172.62 1ure s TRP 6 N -1.99 -0.40 -0.27 9.09 0.52 0.31 0.28 118.94 126.48 1ure s TRP 6 Ca 0.34 0.48 -0.06 0.00 0.02 0.00 0.00 56.10 56.88 1ure s TRP 6 Cb -0.09 -0.23 0.00 0.00 -1.15 0.00 0.00 33.47 32.00 1ure s TRP 6 CO 0.27 -0.57 0.05 0.21 0.02 0.00 0.00 176.95 176.94 1ure s LYS 7 N 2.38 3.20 0.15 4.98 2.20 -1.26 0.13 119.74 131.53 1ure s LYS 7 Ca 0.07 -0.77 -0.33 0.00 -0.36 0.00 0.00 55.97 54.58 1ure s LYS 7 Cb -0.15 -3.27 -0.13 0.00 -1.51 0.00 0.00 37.83 32.77 1ure s LYS 7 CO -0.12 -0.36 1.69 1.55 -0.36 0.00 0.00 175.35 177.76 1ure n VAL 8 N 4.85 0.11 -0.01 4.02 3.14 -0.58 -2.80 118.33 127.05 1ure n VAL 8 Ca -0.15 -0.02 0.05 0.00 -2.96 0.00 0.00 64.34 61.25 1ure n VAL 8 Cb 0.49 -1.82 -0.10 0.00 -1.06 0.00 0.00 33.84 31.35 1ure n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ure n ASP 9 N 4.22 1.98 -3.58 6.55 -0.08 0.61 -4.78 116.55 121.48 1ure n ASP 9 Ca 0.17 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.31 1ure n ASP 9 Cb 0.32 1.47 -0.06 0.00 2.34 0.00 0.00 41.12 45.20 1ure n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ure s ARG 10 N -2.82 0.80 0.33 -0.67 1.70 -1.13 -5.02 118.95 112.14 1ure s ARG 10 Ca -0.05 0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 1ure s ARG 10 Cb 0.08 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1ure s ARG 10 CO 0.54 -0.20 0.02 0.09 -1.08 0.00 0.00 175.30 174.67 1ure n ASN 11 N 1.39 2.84 0.00 -2.89 4.13 -1.26 0.15 115.26 119.62 1ure n ASN 11 Ca -0.15 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 53.71 1ure n ASN 11 Cb 0.57 0.21 0.00 0.00 -1.54 0.00 0.00 39.78 39.01 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ure n GLU 12 N -0.85 0.00 -1.01 3.52 4.07 -0.48 -4.89 120.64 121.00 1ure n GLU 12 Ca -0.13 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.76 1ure n GLU 12 Cb 0.41 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.85 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ure n ASN 13 N -2.36 6.60 -0.10 4.31 5.15 -1.26 -4.67 115.26 122.93 1ure n ASN 13 Ca 0.00 -3.28 -0.12 0.00 -0.60 0.00 0.00 54.58 50.58 1ure n ASN 13 Cb 0.00 -1.01 -0.04 0.00 -0.53 0.00 0.00 39.78 38.20 1ure n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ure n TYR 14 N -0.10 0.21 0.17 1.20 9.36 -1.26 -3.28 117.16 123.46 1ure n TYR 14 Ca 0.40 0.09 -0.14 0.00 3.32 0.00 0.00 57.90 61.57 1ure n TYR 14 Cb 0.66 -0.65 -0.07 0.00 -0.63 0.00 0.00 39.34 38.65 1ure n TYR 14 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1ure h GLU 15 N -1.00 -0.55 -0.85 2.98 9.09 -1.83 -2.64 114.58 119.79 1ure h GLU 15 Ca -0.13 0.04 0.10 0.00 0.05 0.00 0.00 59.36 59.42 1ure h GLU 15 Cb 1.02 0.12 -0.08 0.00 -1.65 0.00 0.00 28.75 28.17 1ure h GLU 15 CO -0.08 -0.36 0.49 -0.22 0.05 0.00 0.00 179.01 178.89 1ure h LYS 16 N -0.57 0.80 0.00 1.06 3.64 -1.92 -2.72 116.57 116.86 1ure h LYS 16 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ure h LYS 16 Cb 0.53 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ure h LYS 16 CO -0.08 0.53 0.00 0.74 -2.27 0.00 0.00 179.45 178.37 1ure h PHE 17 N 0.82 0.00 0.00 1.91 0.04 -1.73 -2.46 116.94 115.51 1ure h PHE 17 Ca 0.41 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.18 1ure h PHE 17 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1ure h PHE 17 CO -0.05 0.00 -0.00 0.52 -0.60 0.00 0.00 178.31 178.17 1ure h MET 18 N 0.00 0.00 -0.04 1.51 2.86 -1.13 -2.40 114.93 115.73 1ure h MET 18 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1ure h MET 18 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1ure h MET 18 CO 0.00 0.00 -0.72 1.49 1.06 0.00 0.00 176.91 178.74 1ure h GLU 19 N 0.00 0.21 -0.00 1.72 4.22 -1.48 0.70 114.58 119.94 1ure h GLU 19 Ca -0.00 -0.17 -0.13 0.00 0.08 0.00 0.00 59.36 59.13 1ure h GLU 19 Cb 0.52 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ure h GLU 19 CO 0.00 0.84 -0.63 -0.22 -2.18 0.00 0.00 179.01 176.82 1ure h LYS 20 N 0.14 0.01 0.00 1.92 1.63 -1.55 -2.94 116.57 115.78 1ure h LYS 20 Ca -0.02 -0.01 -0.15 0.00 -0.85 0.00 0.00 60.65 59.62 1ure h LYS 20 Cb 1.27 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1ure h LYS 20 CO 0.11 0.63 -0.73 0.52 -3.45 0.00 0.00 179.45 176.54 1ure h MET 21 N 0.01 0.00 0.00 1.90 2.86 -1.40 -3.47 114.93 114.83 1ure h MET 21 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ure h MET 21 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1ure h MET 21 CO 0.08 0.73 0.00 0.41 1.06 0.00 0.00 176.91 179.19 1ure n GLY 22 N 1.03 1.62 3.75 8.32 0.00 -0.87 -5.02 105.19 114.03 1ure n GLY 22 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ure n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ure s ILE 23 N -2.00 3.96 -0.05 -0.61 -1.09 0.24 -5.00 121.20 116.64 1ure s ILE 23 Ca 0.00 1.96 -0.03 0.00 -2.23 0.00 0.00 60.65 60.35 1ure s ILE 23 Cb 0.00 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1ure s ILE 23 CO 0.00 0.46 0.11 0.20 -1.23 0.00 0.00 174.94 174.49 1ure s ASN 24 N -1.06 6.01 0.00 3.58 -0.87 -1.26 -4.40 114.94 116.94 1ure s ASN 24 Ca 0.42 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 52.01 1ure s ASN 24 Cb -0.27 -1.84 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 1ure s ASN 24 CO 0.34 0.33 0.00 0.52 -2.57 0.00 0.00 177.10 175.72 1ure n VAL 25 N 1.51 0.00 0.19 1.60 0.31 -1.26 0.12 118.33 120.79 1ure n VAL 25 Ca -0.15 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.21 1ure n VAL 25 Cb 0.54 0.00 0.41 0.00 -0.91 0.00 0.00 33.84 33.87 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ure h VAL 26 N 0.00 1.21 -0.02 2.52 2.07 -1.99 -2.93 116.25 117.11 1ure h VAL 26 Ca 0.00 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 1ure h VAL 26 Cb 0.00 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ure h VAL 26 CO 0.00 0.29 -0.68 0.11 0.02 0.00 0.00 177.57 177.31 1ure h LYS 27 N 0.03 0.10 0.00 1.57 1.57 0.49 0.22 116.57 120.56 1ure h LYS 27 Ca 0.00 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1ure h LYS 27 Cb 0.52 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1ure h LYS 27 CO 0.04 0.74 -0.58 0.00 -0.57 0.00 0.00 179.45 179.07 1ure h ARG 28 N 0.07 0.00 0.11 3.15 3.08 -1.46 -1.90 114.38 117.43 1ure h ARG 28 Ca -0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 1ure h ARG 28 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.28 1ure h ARG 28 CO 0.10 0.58 -0.90 -0.22 -1.07 0.00 0.00 179.97 178.46 1ure h LYS 29 N 0.00 0.41 0.01 0.04 3.64 -1.38 -2.24 116.57 117.05 1ure h LYS 29 Ca -0.01 -0.59 -0.20 0.00 -1.27 0.00 0.00 60.65 58.58 1ure h LYS 29 Cb 1.45 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.45 1ure h LYS 29 CO 0.08 1.25 -0.92 -0.07 -2.27 0.00 0.00 179.45 177.52 1ure h LEU 30 N -0.14 0.08 -0.77 5.20 3.38 -0.63 -3.15 115.31 119.28 1ure h LEU 30 Ca -0.15 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1ure h LEU 30 Cb 1.66 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 1ure h LEU 30 CO 0.17 0.95 -0.59 1.23 0.09 0.00 0.00 178.44 180.29 1ure h GLY 31 N 2.46 0.09 2.00 0.83 0.00 -1.43 0.53 103.07 107.54 1ure h GLY 31 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1ure h GLY 31 CO 0.13 0.10 -0.45 0.00 0.00 0.00 0.00 176.54 176.31 1ure h ALA 32 N 1.34 0.83 0.00 3.60 0.00 -1.42 -3.29 119.26 120.32 1ure h ALA 32 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ure h ALA 32 Cb 1.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1ure h ALA 32 CO 0.08 0.57 -0.45 1.58 0.00 0.00 0.00 179.25 181.03 1ure n HIS 33 N -3.39 0.00 0.33 0.00 -0.00 -1.18 -4.81 115.22 106.18 1ure n HIS 33 Ca 0.01 -1.35 0.10 0.00 -0.00 0.00 0.00 57.72 56.48 1ure n HIS 33 Cb 0.62 -0.23 0.47 0.00 -0.00 0.00 0.00 29.99 30.85 1ure n HIS 33 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ure n ASP 34 N -1.07 0.53 -1.05 0.26 5.68 0.17 -4.89 116.55 116.18 1ure n ASP 34 Ca 0.18 0.66 -0.10 0.00 -0.50 0.00 0.00 54.79 55.03 1ure n ASP 34 Cb 0.71 -0.76 -0.02 0.00 -1.14 0.00 0.00 41.12 39.91 1ure n ASP 34 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1ure n ASN 35 N -2.12 -3.67 -4.50 -1.12 6.94 -1.26 -1.89 115.26 107.64 1ure n ASN 35 Ca 0.01 0.07 -0.58 0.00 -0.02 0.00 0.00 54.58 54.07 1ure n ASN 35 Cb 0.16 -2.66 -0.09 0.00 -2.36 0.00 0.00 39.78 34.83 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1ure n LEU 36 N -1.38 1.66 -4.15 -4.53 7.94 -1.26 -4.68 117.00 110.60 1ure n LEU 36 Ca -0.12 0.78 -0.38 0.00 -1.11 0.00 0.00 56.01 55.19 1ure n LEU 36 Cb 0.51 -1.07 -0.10 0.00 0.53 0.00 0.00 43.42 43.29 1ure n LEU 36 CO 0.15 -0.67 -0.09 -0.75 -1.11 0.00 0.00 177.39 174.91 1ure s LYS 37 N 4.99 2.23 0.24 1.96 2.20 -1.17 -1.53 119.74 128.66 1ure s LYS 37 Ca 1.09 -1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1ure s LYS 37 Cb -1.20 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 31.32 1ure s LYS 37 CO 0.63 -1.12 0.94 -1.17 -0.36 0.00 0.00 175.35 174.27 1ure s LEU 38 N 1.06 4.65 -0.51 5.43 2.96 0.35 -1.93 118.68 130.68 1ure s LEU 38 Ca 0.09 1.96 0.04 0.00 -0.22 0.00 0.00 54.13 55.99 1ure s LEU 38 Cb -0.23 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.01 1ure s LEU 38 CO -0.03 0.15 0.37 -0.89 -1.32 0.00 0.00 176.35 174.63 1ure s THR 39 N -1.16 1.41 0.19 3.68 2.01 0.14 0.11 115.64 122.02 1ure s THR 39 Ca 0.41 -3.15 -0.31 0.00 0.31 0.00 0.00 61.69 58.95 1ure s THR 39 Cb -0.26 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 1ure s THR 39 CO 0.32 -1.08 1.49 -0.63 -0.69 0.00 0.00 174.62 174.03 1ure s ILE 40 N -0.36 2.75 -0.34 1.82 -1.09 0.41 -2.25 121.20 122.14 1ure s ILE 40 Ca 0.27 0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1ure s ILE 40 Cb -0.06 -3.37 0.13 0.00 -1.58 0.00 0.00 42.46 37.59 1ure s ILE 40 CO -0.14 0.06 0.19 -0.89 -1.23 0.00 0.00 174.94 172.94 1ure s THR 41 N 0.67 0.11 -0.28 2.92 2.01 -0.77 -1.29 115.64 119.00 1ure s THR 41 Ca 0.65 -1.50 -0.24 0.00 0.31 0.00 0.00 61.69 60.90 1ure s THR 41 Cb -0.42 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.99 1ure s THR 41 CO 0.36 -0.93 0.81 -1.58 -0.69 0.00 0.00 174.62 172.59 1ure s GLN 42 N 1.30 4.05 0.00 4.92 0.74 -1.26 -2.41 119.66 126.99 1ure s GLN 42 Ca 0.16 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1ure s GLN 42 Cb -0.21 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.20 1ure s GLN 42 CO -0.08 -0.63 0.00 -1.91 -0.55 0.00 0.00 175.29 172.13 1ure n GLU 43 N 6.15 0.00 -3.53 1.67 2.13 -0.69 -4.93 120.64 121.45 1ure n GLU 43 Ca 0.05 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.52 1ure n GLU 43 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ure n GLY 44 N 4.94 4.43 2.01 8.31 0.00 -1.26 -4.67 105.19 118.95 1ure n GLY 44 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 1ure n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 45 N 1.78 0.00 -4.86 1.61 4.13 -1.26 -5.03 115.26 111.63 1ure n ASN 45 Ca 0.24 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.16 1ure n ASN 45 Cb 0.37 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.56 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ure s LYS 46 N -0.48 3.85 -0.39 3.52 2.20 -1.26 -2.85 119.74 124.32 1ure s LYS 46 Ca 0.00 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 1ure s LYS 46 Cb 0.00 -2.88 0.12 0.00 -1.51 0.00 0.00 37.83 33.56 1ure s LYS 46 CO 0.00 0.47 0.18 -0.06 -0.36 0.00 0.00 175.35 175.57 1ure s PHE 47 N -1.54 2.08 0.37 4.03 0.40 -1.24 -1.71 117.98 120.38 1ure s PHE 47 Ca 0.39 -2.28 -0.24 0.00 -0.60 0.00 0.00 56.93 54.19 1ure s PHE 47 Cb -0.14 -1.95 -0.10 0.00 0.51 0.00 0.00 43.02 41.35 1ure s PHE 47 CO 0.20 -0.83 0.98 -0.08 0.70 0.00 0.00 175.22 176.19 1ure s THR 48 N 0.77 4.08 -0.41 0.64 -1.32 -1.01 -2.72 115.64 115.67 1ure s THR 48 Ca 0.15 1.58 0.04 0.00 -1.21 0.00 0.00 61.69 62.25 1ure s THR 48 Cb -0.22 -3.81 0.11 0.00 -1.51 0.00 0.00 72.50 67.07 1ure s THR 48 CO -0.08 -0.00 0.14 0.54 -2.21 0.00 0.00 174.62 173.01 1ure s VAL 49 N -1.75 2.33 0.09 5.08 0.11 -1.26 -1.85 120.40 123.15 1ure s VAL 49 Ca 0.55 -2.71 -0.31 0.00 -2.93 0.00 0.00 61.98 56.58 1ure s VAL 49 Cb -0.18 -2.68 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 1ure s VAL 49 CO 0.23 -0.69 1.27 -0.75 -3.33 0.00 0.00 175.10 171.83 1ure s LYS 50 N 0.43 4.39 -0.58 1.54 2.36 -0.96 -2.40 119.74 124.53 1ure s LYS 50 Ca 0.14 1.89 0.06 0.00 -2.55 0.00 0.00 55.97 55.51 1ure s LYS 50 Cb -0.22 -3.30 0.28 0.00 -1.05 0.00 0.00 37.83 33.54 1ure s LYS 50 CO -0.05 -0.31 0.77 -1.91 1.55 0.00 0.00 175.35 175.40 1ure n GLU 51 N 3.84 2.41 -1.69 4.03 2.13 -1.25 0.27 120.64 130.38 1ure n GLU 51 Ca 0.10 -4.48 -0.37 0.00 0.66 0.00 0.00 57.16 53.06 1ure n GLU 51 Cb 0.45 -2.10 -0.05 0.00 0.27 0.00 0.00 31.44 30.01 1ure n GLU 51 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ure n SER 52 N 0.61 3.07 -1.15 4.31 7.64 -0.81 -4.25 113.62 123.04 1ure n SER 52 Ca 0.29 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.45 1ure n SER 52 Cb 0.43 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1ure n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ure n SER 53 N 10.18 0.36 0.27 6.43 7.64 -0.99 -3.02 113.62 134.48 1ure n SER 53 Ca 0.48 -0.57 0.16 0.00 1.01 0.00 0.00 58.87 59.94 1ure n SER 53 Cb 0.43 0.00 0.63 0.00 -1.01 0.00 0.00 64.21 64.26 1ure n SER 53 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1ure h ASN 54 N 0.00 0.00 0.00 6.43 -1.24 -1.69 -3.33 115.58 115.75 1ure h ASN 54 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 1ure h ASN 54 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1ure h ASN 54 CO 0.00 0.04 -0.60 -0.26 -1.29 0.00 0.00 177.43 175.31 1ure h PHE 55 N 0.00 0.00 -3.11 0.67 0.04 -1.91 -3.50 116.94 109.12 1ure h PHE 55 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1ure h PHE 55 Cb 0.57 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1ure h PHE 55 CO 0.00 0.58 0.21 -0.98 -0.60 0.00 0.00 178.31 177.52 1ure s ARG 56 N -2.16 2.09 -0.57 1.51 1.70 -1.25 -5.09 118.95 115.18 1ure s ARG 56 Ca -0.17 -1.36 0.03 0.00 -0.47 0.00 0.00 55.73 53.76 1ure s ARG 56 Cb 0.02 0.60 0.14 0.00 -0.57 0.00 0.00 34.95 35.15 1ure s ARG 56 CO 0.35 -0.97 0.33 -0.80 -1.08 0.00 0.00 175.30 173.14 1ure s ASN 57 N -3.05 4.52 -0.38 -2.89 0.02 -1.26 -2.36 114.94 109.54 1ure s ASN 57 Ca 0.16 -3.18 0.02 0.00 -1.02 0.00 0.00 52.86 48.84 1ure s ASN 57 Cb -0.05 -1.66 0.11 0.00 0.02 0.00 0.00 41.25 39.67 1ure s ASN 57 CO 0.11 -0.21 0.12 -0.51 0.02 0.00 0.00 177.10 176.63 1ure s ILE 58 N -0.52 2.65 0.01 0.60 2.07 -1.26 -4.99 121.20 119.77 1ure s ILE 58 Ca 0.19 -2.36 -0.30 0.00 -1.41 0.00 0.00 60.65 56.77 1ure s ILE 58 Cb -0.21 -2.89 -0.08 0.00 0.13 0.00 0.00 42.46 39.41 1ure s ILE 58 CO -0.04 -0.65 1.85 1.51 -1.91 0.00 0.00 174.94 175.70 1ure s ASP 59 N 1.07 6.52 -0.14 4.50 -4.77 -1.26 -3.87 116.67 118.73 1ure s ASP 59 Ca 0.11 2.53 -0.14 0.00 -3.30 0.00 0.00 52.55 51.75 1ure s ASP 59 Cb -0.21 -2.53 -0.12 0.00 -1.09 0.00 0.00 42.92 38.97 1ure s ASP 59 CO -0.06 -1.00 0.23 0.58 0.70 0.00 0.00 175.17 175.61 1ure h VAL 60 N 5.53 0.70 -2.72 2.11 2.07 -1.84 -3.47 116.25 118.64 1ure h VAL 60 Ca -0.46 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1ure h VAL 60 Cb 1.22 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1ure h VAL 60 CO 0.94 0.24 -0.64 1.33 0.02 0.00 0.00 177.57 179.46 1ure n VAL 61 N -4.63 -4.16 -3.15 2.57 0.24 -1.26 -4.88 118.33 103.07 1ure n VAL 61 Ca -0.11 1.76 0.05 0.00 -2.04 0.00 0.00 64.34 64.00 1ure n VAL 61 Cb 0.32 -2.55 -0.00 0.00 -1.47 0.00 0.00 33.84 30.14 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1ure s PHE 62 N -2.12 -1.23 0.40 6.34 -0.12 -1.10 -4.94 117.98 115.21 1ure s PHE 62 Ca 0.00 0.76 -0.26 0.00 -0.05 0.00 0.00 56.93 57.39 1ure s PHE 62 Cb 0.00 0.23 -0.11 0.00 -0.63 0.00 0.00 43.02 42.51 1ure s PHE 62 CO 0.00 -0.71 1.14 0.39 -0.05 0.00 0.00 175.22 175.99 1ure n GLU 63 N 5.29 1.66 -1.63 1.99 -0.58 -1.26 -3.59 120.64 122.52 1ure n GLU 63 Ca 0.06 0.59 -0.43 0.00 -0.42 0.00 0.00 57.16 56.96 1ure n GLU 63 Cb 0.55 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ure n LEU 64 N 0.49 3.73 -0.16 -4.62 4.32 -1.13 -1.70 117.00 117.93 1ure n LEU 64 Ca 0.08 0.61 0.00 0.00 -0.02 0.00 0.00 56.01 56.68 1ure n LEU 64 Cb 0.38 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.65 1ure n LEU 64 CO 0.59 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1ure n GLY 65 N 5.08 0.75 3.02 -0.72 0.00 -0.85 -5.01 105.19 107.46 1ure n GLY 65 Ca 0.25 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1ure n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 66 N -2.32 2.95 0.14 1.61 1.01 -0.69 -5.01 120.40 118.10 1ure s VAL 66 Ca 0.00 -2.97 -0.33 0.00 0.00 0.00 0.00 61.98 58.68 1ure s VAL 66 Cb 0.00 -3.02 -0.17 0.00 0.00 0.00 0.00 36.38 33.19 1ure s VAL 66 CO 0.00 -0.79 0.98 0.47 0.00 0.00 0.00 175.10 175.77 1ure n ASP 67 N 3.51 0.38 -4.35 3.32 8.00 -1.26 -4.65 116.55 121.50 1ure n ASP 67 Ca 0.05 1.14 -0.18 0.00 0.71 0.00 0.00 54.79 56.51 1ure n ASP 67 Cb 0.36 -1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 40.28 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ure s PHE 68 N -0.35 1.68 -0.24 1.24 -0.71 -0.72 -4.92 117.98 113.96 1ure s PHE 68 Ca 0.75 -1.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.53 1ure s PHE 68 Cb -0.98 -1.02 0.06 0.00 -1.21 0.00 0.00 43.02 39.88 1ure s PHE 68 CO 0.55 -0.23 -0.05 0.00 -1.34 0.00 0.00 175.22 174.14 1ure s ALA 69 N -3.61 1.96 -0.21 1.99 0.00 -1.26 -1.89 121.76 118.75 1ure s ALA 69 Ca 0.37 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1ure s ALA 69 Cb 0.08 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.81 1ure s ALA 69 CO 0.14 -1.21 -0.04 -0.47 0.00 0.00 0.00 175.76 174.18 1ure s TYR 70 N 1.39 2.01 0.55 0.00 5.04 -0.84 -4.97 117.35 120.54 1ure s TYR 70 Ca -0.05 -1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 52.99 1ure s TYR 70 Cb -0.19 -1.43 -0.07 0.00 0.35 0.00 0.00 41.96 40.63 1ure s TYR 70 CO -0.07 -0.71 1.00 0.45 -1.34 0.00 0.00 175.55 174.89 1ure s SER 71 N 1.53 6.48 0.59 4.32 0.15 -1.26 -3.16 113.70 122.35 1ure s SER 71 Ca -0.03 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1ure s SER 71 Cb -0.18 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1ure s SER 71 CO -0.07 -0.69 0.00 0.18 1.20 0.00 0.00 173.24 173.86 1ure n LEU 72 N -1.98 0.00 0.11 3.45 7.99 0.06 -4.93 117.00 121.70 1ure n LEU 72 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.18 1ure n LEU 72 Cb 0.54 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.92 1ure n LEU 72 CO 0.50 -0.31 0.24 0.00 -1.51 0.00 0.00 177.39 176.31 1ure h ALA 73 N -1.88 0.61 0.00 -1.18 0.00 -1.97 -3.24 119.26 111.59 1ure h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ure h ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ure h ALA 73 CO 0.00 0.00 -0.30 -0.25 0.00 0.00 0.00 179.25 178.70 1ure n ASP 74 N -2.62 0.57 0.00 0.00 9.92 -1.26 -4.91 116.55 118.25 1ure n ASP 74 Ca 0.01 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1ure n ASP 74 Cb 0.52 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ure n GLY 75 N 1.38 1.12 3.68 0.44 0.00 -1.22 -5.09 105.19 105.50 1ure n GLY 75 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1ure n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ure s THR 76 N -2.00 5.07 1.06 2.61 2.01 -1.26 -4.76 115.64 118.37 1ure s THR 76 Ca 0.00 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 1ure s THR 76 Cb 0.00 -3.91 0.23 0.00 0.01 0.00 0.00 72.50 68.82 1ure s THR 76 CO 0.00 0.18 1.07 -0.70 -0.69 0.00 0.00 174.62 174.48 1ure s GLU 77 N 1.49 -0.10 -0.14 4.92 2.56 -1.26 -0.76 118.70 125.40 1ure s GLU 77 Ca 0.28 0.63 -0.17 0.00 0.00 0.00 0.00 54.97 55.71 1ure s GLU 77 Cb -0.16 -1.67 0.04 0.00 2.00 0.00 0.00 34.13 34.35 1ure s GLU 77 CO 0.11 -3.12 0.46 -1.17 -0.56 0.00 0.00 175.26 170.98 1ure s LEU 78 N -6.75 0.24 -0.18 2.70 0.20 -1.19 -4.62 118.68 109.07 1ure s LEU 78 Ca 0.66 0.79 -0.04 0.00 0.69 0.00 0.00 54.13 56.23 1ure s LEU 78 Cb -0.21 1.63 0.09 0.00 -0.43 0.00 0.00 46.19 47.27 1ure s LEU 78 CO 0.60 -0.25 0.21 0.42 -0.29 0.00 0.00 176.35 177.05 1ure s THR 79 N -0.13 -0.32 0.00 3.68 -4.23 0.40 -1.98 115.64 113.06 1ure s THR 79 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1ure s THR 79 Cb -0.03 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1ure s THR 79 CO 0.02 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1ure n GLY 80 N 5.32 0.96 3.40 3.99 0.00 -0.79 0.77 105.19 118.83 1ure n GLY 80 Ca -0.05 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1ure n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 81 N -2.28 0.00 0.19 2.61 -4.23 -0.34 -1.76 115.64 109.83 1ure s THR 81 Ca 0.00 -1.76 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 1ure s THR 81 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1ure s THR 81 CO 0.00 0.00 -0.16 0.26 -0.54 0.00 0.00 174.62 174.18 1ure s TRP 82 N -3.45 2.49 -0.27 3.99 0.52 -1.26 -0.90 118.94 120.05 1ure s TRP 82 Ca 0.34 -0.28 -0.24 0.00 0.02 0.00 0.00 56.10 55.93 1ure s TRP 82 Cb 0.02 -1.22 0.09 0.00 -1.15 0.00 0.00 33.47 31.20 1ure s TRP 82 CO 0.20 0.51 0.81 -0.08 0.02 0.00 0.00 176.95 178.40 1ure s THR 83 N -1.69 0.00 -0.66 2.01 -1.32 -0.04 -2.01 115.64 111.93 1ure s THR 83 Ca 0.23 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.44 1ure s THR 83 Cb -0.08 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1ure s THR 83 CO 0.13 0.00 1.19 -0.32 -2.21 0.00 0.00 174.62 173.41 1ure s MET 84 N 0.41 3.31 0.00 7.08 1.75 -1.26 -0.20 119.30 130.39 1ure s MET 84 Ca 0.00 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.32 1ure s MET 84 Cb -0.05 -4.11 0.00 0.00 2.84 0.00 0.00 34.83 33.51 1ure s MET 84 CO -0.02 -1.89 0.00 0.39 -0.65 0.00 0.00 175.02 172.85 1ure n GLU 85 N 8.71 0.00 -3.52 4.11 1.02 0.51 -4.91 120.64 126.57 1ure n GLU 85 Ca 0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1ure n GLU 85 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 1ure n GLU 85 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ure s GLY 86 N 0.00 2.31 -0.58 0.62 0.00 -1.26 -4.60 107.32 103.82 1ure s GLY 86 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 44.72 41.81 1ure s GLY 86 CO 0.00 1.15 0.00 0.70 0.00 0.00 0.00 173.10 174.95 1ure n ASN 87 N 4.36 -5.61 -3.75 1.64 4.13 -1.26 -4.93 115.26 109.84 1ure n ASN 87 Ca 0.01 0.13 -0.13 0.00 1.68 0.00 0.00 54.58 56.27 1ure n ASN 87 Cb 0.42 -3.59 -0.11 0.00 -1.54 0.00 0.00 39.78 34.96 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ure s LYS 88 N -2.33 0.41 -0.04 3.52 1.02 -1.26 -4.86 119.74 116.20 1ure s LYS 88 Ca 0.00 0.50 -0.25 0.00 0.02 0.00 0.00 55.97 56.24 1ure s LYS 88 Cb 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1ure s LYS 88 CO 0.00 -0.05 0.78 -1.17 -0.92 0.00 0.00 175.35 173.98 1ure s LEU 89 N 0.24 4.34 0.33 3.17 0.20 -1.15 -0.36 118.68 125.44 1ure s LEU 89 Ca -0.00 1.32 0.09 0.00 0.69 0.00 0.00 54.13 56.23 1ure s LEU 89 Cb -0.03 -3.22 -0.06 0.00 -0.43 0.00 0.00 46.19 42.45 1ure s LEU 89 CO -0.00 -0.15 -0.09 0.68 -0.29 0.00 0.00 176.35 176.50 1ure s VAL 90 N 0.83 2.16 -0.28 1.68 -7.23 0.72 0.12 120.40 118.40 1ure s VAL 90 Ca 0.41 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1ure s VAL 90 Cb -0.19 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.25 1ure s VAL 90 CO 0.21 -0.22 0.16 -0.83 -0.31 0.00 0.00 175.10 174.10 1ure s GLY 91 N -3.58 0.35 -0.22 2.32 0.00 0.20 -0.86 107.32 105.53 1ure s GLY 91 Ca 0.32 -0.85 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 1ure s GLY 91 CO 0.16 2.15 0.42 0.54 0.00 0.00 0.00 173.10 176.37 1ure s LYS 92 N 2.16 4.14 -0.22 2.90 -0.14 -0.08 0.17 119.74 128.67 1ure s LYS 92 Ca 0.08 0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.93 1ure s LYS 92 Cb -0.16 -3.57 0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1ure s LYS 92 CO -0.33 -0.12 -0.11 -0.06 -0.76 0.00 0.00 175.35 173.96 1ure s PHE 93 N 1.57 2.80 0.63 3.18 0.08 -1.09 -1.20 117.98 123.95 1ure s PHE 93 Ca 0.19 -1.91 -0.00 0.00 0.12 0.00 0.00 56.93 55.33 1ure s PHE 93 Cb -0.15 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.59 1ure s PHE 93 CO 0.09 -0.81 0.88 0.15 -0.10 0.00 0.00 175.22 175.43 1ure s LYS 94 N 1.26 2.16 0.06 0.44 1.02 0.23 -0.02 119.74 124.90 1ure s LYS 94 Ca -0.04 -0.88 0.09 0.00 0.02 0.00 0.00 55.97 55.17 1ure s LYS 94 Cb -0.18 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1ure s LYS 94 CO -0.07 -1.05 -0.26 1.03 -0.92 0.00 0.00 175.35 174.07 1ure s ARG 95 N -4.95 1.74 0.01 1.68 0.52 -1.01 0.15 118.95 117.09 1ure s ARG 95 Ca 0.61 -1.15 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 1ure s ARG 95 Cb -0.08 -1.98 -0.17 0.00 0.52 0.00 0.00 34.95 33.24 1ure s ARG 95 CO 0.41 0.50 1.32 0.28 0.02 0.00 0.00 175.30 177.83 1ure h VAL 96 N 4.14 1.36 -0.92 3.52 2.07 -1.85 -2.20 116.25 122.37 1ure h VAL 96 Ca -0.47 -1.23 -0.56 0.00 0.82 0.00 0.00 66.70 65.25 1ure h VAL 96 Cb 1.15 1.99 -0.29 0.00 -1.52 0.00 0.00 31.29 32.62 1ure h VAL 96 CO 0.43 0.35 0.59 -0.90 0.02 0.00 0.00 177.57 178.06 1ure n ASP 97 N -4.68 5.48 0.00 0.57 5.75 -1.26 -4.40 116.55 118.01 1ure n ASP 97 Ca -0.07 -3.72 0.00 0.00 -0.01 0.00 0.00 54.79 50.99 1ure n ASP 97 Cb 0.31 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ure n ASN 98 N -1.02 0.00 0.00 -1.12 2.85 -1.24 -5.03 115.26 109.70 1ure n ASN 98 Ca 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 1ure n ASN 98 Cb 1.12 0.02 0.00 0.00 1.24 0.00 0.00 39.78 42.15 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ure n GLY 99 N 0.87 0.86 0.52 8.20 0.00 -0.83 -5.00 105.19 109.82 1ure n GLY 99 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1ure n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ure n LYS 100 N -2.22 0.12 -4.38 1.61 5.02 -1.26 -4.84 118.16 112.21 1ure n LYS 100 Ca 0.00 -0.32 -0.19 0.00 -2.02 0.00 0.00 58.31 55.79 1ure n LYS 100 Cb 0.00 -0.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.76 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ure s GLU 101 N -3.12 1.50 0.35 1.97 2.12 -1.26 -2.40 118.70 117.85 1ure s GLU 101 Ca 0.10 -1.81 -0.08 0.00 0.36 0.00 0.00 54.97 53.54 1ure s GLU 101 Cb -0.00 -0.62 0.03 0.00 0.26 0.00 0.00 34.13 33.80 1ure s GLU 101 CO 0.07 -0.19 0.60 -0.11 -0.54 0.00 0.00 175.26 175.08 1ure n LEU 102 N -0.55 0.00 -3.54 2.70 0.00 0.97 -4.56 117.00 112.02 1ure n LEU 102 Ca -0.02 -2.52 -0.14 0.00 0.00 0.00 0.00 56.01 53.33 1ure n LEU 102 Cb 0.66 2.98 -0.05 0.00 0.00 0.00 0.00 43.42 47.01 1ure n LEU 102 CO 0.39 -0.71 0.32 -0.51 0.00 0.00 0.00 177.39 176.88 1ure s ILE 103 N -2.47 0.02 -0.33 1.96 1.10 -0.39 -2.69 121.20 118.41 1ure s ILE 103 Ca 0.21 -0.18 -0.01 0.00 -0.51 0.00 0.00 60.65 60.16 1ure s ILE 103 Cb -0.03 -0.99 0.13 0.00 0.15 0.00 0.00 42.46 41.72 1ure s ILE 103 CO 0.15 -0.10 0.24 0.00 -2.11 0.00 0.00 174.94 173.12 1ure s ALA 104 N -2.58 0.27 -0.32 1.50 0.00 0.45 -0.14 121.76 120.94 1ure s ALA 104 Ca -0.04 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 1ure s ALA 104 Cb -0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 1ure s ALA 104 CO -0.03 -1.91 0.68 0.54 0.00 0.00 0.00 175.76 175.04 1ure s VAL 105 N 1.69 4.88 -0.92 0.00 0.11 -0.84 0.59 120.40 125.92 1ure s VAL 105 Ca 0.14 0.87 -0.19 0.00 -2.93 0.00 0.00 61.98 59.87 1ure s VAL 105 Cb -0.18 -4.06 0.12 0.00 -1.53 0.00 0.00 36.38 30.73 1ure s VAL 105 CO -0.17 -0.22 1.15 -0.13 -3.33 0.00 0.00 175.10 172.39 1ure s ARG 106 N 2.74 3.56 -1.21 1.54 0.52 0.33 -2.28 118.95 124.15 1ure s ARG 106 Ca 0.27 -1.62 -0.14 0.00 -0.52 0.00 0.00 55.73 53.72 1ure s ARG 106 Cb -0.14 -4.91 0.17 0.00 0.52 0.00 0.00 34.95 30.59 1ure s ARG 106 CO 0.13 -1.82 1.45 -1.83 0.02 0.00 0.00 175.30 173.25 1ure s GLU 107 N 3.03 4.10 -0.71 3.54 -1.05 0.12 -2.95 118.70 124.78 1ure s GLU 107 Ca 0.33 -2.58 -0.25 0.00 -0.15 0.00 0.00 54.97 52.32 1ure s GLU 107 Cb -0.05 -5.08 -0.14 0.00 -0.44 0.00 0.00 34.13 28.42 1ure s GLU 107 CO -0.08 -1.78 2.45 -0.89 0.95 0.00 0.00 175.26 175.91 1ure n ILE 108 N 4.65 -0.04 -2.70 1.83 2.08 -1.26 -3.54 119.36 120.38 1ure n ILE 108 Ca 0.37 -0.55 -0.43 0.00 0.56 0.00 0.00 62.75 62.70 1ure n ILE 108 Cb 0.43 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 1ure n ILE 108 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1ure n SER 109 N 14.60 5.38 -3.21 4.38 2.88 0.88 -4.79 113.62 133.75 1ure n SER 109 Ca 0.48 -3.12 -0.10 0.00 -1.33 0.00 0.00 58.87 54.81 1ure n SER 109 Cb 0.38 -1.46 0.01 0.00 -0.75 0.00 0.00 64.21 62.39 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ure n GLY 110 N 2.90 -0.41 2.50 0.46 0.00 -1.26 -2.92 105.19 106.46 1ure n GLY 110 Ca 0.35 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ure n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 111 N 0.84 0.00 -3.95 1.61 4.13 -1.26 -4.99 115.26 111.64 1ure n ASN 111 Ca -0.02 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.94 1ure n ASN 111 Cb 0.50 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.58 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 112 N -0.22 1.62 -0.30 3.52 2.02 -1.15 -3.99 118.70 120.21 1ure s GLU 112 Ca 0.00 -1.12 -0.24 0.00 0.02 0.00 0.00 54.97 53.63 1ure s GLU 112 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1ure s GLU 112 CO 0.00 -0.65 0.82 -1.17 0.02 0.00 0.00 175.26 174.28 1ure s LEU 113 N 1.33 4.07 -0.01 1.80 0.20 -1.09 -0.08 118.68 124.90 1ure s LEU 113 Ca -0.04 0.75 0.04 0.00 0.69 0.00 0.00 54.13 55.58 1ure s LEU 113 Cb -0.19 -3.14 -0.03 0.00 -0.43 0.00 0.00 46.19 42.40 1ure s LEU 113 CO -0.07 -0.63 -0.14 -0.63 -0.29 0.00 0.00 176.35 174.59 1ure s ILE 114 N 3.01 3.12 -0.17 6.68 1.01 -1.23 -1.35 121.20 132.27 1ure s ILE 114 Ca 0.34 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1ure s ILE 114 Cb -0.14 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1ure s ILE 114 CO 0.12 0.47 -0.19 -1.10 0.00 0.00 0.00 174.94 174.25 1ure s GLN 115 N -1.09 2.82 -0.39 2.79 -0.21 -1.24 0.12 119.66 122.45 1ure s GLN 115 Ca 0.14 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.58 1ure s GLN 115 Cb -0.11 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.45 1ure s GLN 115 CO 0.03 -0.22 0.41 0.95 -2.12 0.00 0.00 175.29 174.34 1ure s THR 116 N 1.34 5.12 -0.48 -0.19 -4.23 -0.97 -2.07 115.64 114.16 1ure s THR 116 Ca 0.05 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.17 1ure s THR 116 Cb -0.13 -3.96 0.06 0.00 1.34 0.00 0.00 72.50 69.81 1ure s THR 116 CO -0.12 -0.30 0.49 -0.31 -0.54 0.00 0.00 174.62 173.84 1ure s TYR 117 N 2.08 3.16 -0.55 3.99 2.02 -0.89 -1.98 117.35 125.18 1ure s TYR 117 Ca 0.12 -0.69 -0.06 0.00 -0.37 0.00 0.00 57.07 56.07 1ure s TYR 117 Cb -0.17 -3.27 0.14 0.00 -0.40 0.00 0.00 41.96 38.27 1ure s TYR 117 CO 0.13 -0.87 0.39 0.99 -1.57 0.00 0.00 175.55 174.61 1ure s THR 118 N 2.10 3.96 0.16 -0.71 2.01 0.81 -2.04 115.64 121.93 1ure s THR 118 Ca 0.10 -2.32 -0.19 0.00 0.31 0.00 0.00 61.69 59.58 1ure s THR 118 Cb -0.21 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1ure s THR 118 CO 0.10 -0.82 1.66 0.22 -0.69 0.00 0.00 174.62 175.09 1ure h TYR 119 N 7.80 -0.35 0.00 4.92 3.20 -1.81 -1.03 116.97 129.70 1ure h TYR 119 Ca -0.09 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ure h TYR 119 Cb 1.02 0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1ure h TYR 119 CO 0.68 -0.22 0.00 0.39 -1.64 0.00 0.00 178.16 177.37 1ure n GLU 120 N -5.33 0.00 -1.21 1.82 1.02 -1.26 -3.20 120.64 112.48 1ure n GLU 120 Ca 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.16 1ure n GLU 120 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ure n GLY 121 N 0.25 0.84 2.56 0.62 0.00 -1.26 -4.96 105.19 103.25 1ure n GLY 121 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 1ure n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ure s VAL 122 N 0.00 1.20 0.00 1.61 -7.23 -1.26 -5.12 120.40 109.60 1ure s VAL 122 Ca 0.22 -3.20 0.00 0.00 -1.81 0.00 0.00 61.98 57.18 1ure s VAL 122 Cb 0.25 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.38 1ure s VAL 122 CO -0.11 -1.16 0.00 1.21 -0.31 0.00 0.00 175.10 174.73 1ure n GLU 123 N 2.55 -1.43 0.00 4.82 2.13 -1.23 -3.58 120.64 123.90 1ure n GLU 123 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1ure n GLU 123 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ure n ALA 124 N -2.72 0.00 -1.77 4.31 0.00 -0.87 -4.50 120.51 114.96 1ure n ALA 124 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ure n ALA 124 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ure n ALA 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ure s LYS 125 N 0.00 4.22 -0.43 0.00 3.01 -1.23 -2.09 119.74 123.22 1ure s LYS 125 Ca 0.00 1.94 0.05 0.00 -1.01 0.00 0.00 55.97 56.95 1ure s LYS 125 Cb 0.00 -2.86 0.19 0.00 -1.01 0.00 0.00 37.83 34.14 1ure s LYS 125 CO 0.00 -0.20 0.45 0.54 0.51 0.00 0.00 175.35 176.65 1ure n ARG 126 N 0.44 0.33 -1.62 1.68 1.74 -0.88 -1.39 116.66 116.96 1ure n ARG 126 Ca 0.02 -2.92 -0.45 0.00 -0.77 0.00 0.00 57.85 53.73 1ure n ARG 126 Cb 0.45 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.28 1ure n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ure n ILE 127 N 2.65 0.52 -3.82 0.55 2.08 0.39 -3.72 119.36 118.02 1ure n ILE 127 Ca 0.26 -0.26 -0.35 0.00 0.56 0.00 0.00 62.75 62.96 1ure n ILE 127 Cb 0.51 -2.24 -0.08 0.00 -0.75 0.00 0.00 39.64 37.08 1ure n ILE 127 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1ure s PHE 128 N 6.06 3.43 -2.30 1.39 0.08 -0.45 -0.28 117.98 125.90 1ure s PHE 128 Ca 0.96 0.35 0.21 0.00 0.12 0.00 0.00 56.93 58.57 1ure s PHE 128 Cb -0.50 -2.09 0.53 0.00 -0.57 0.00 0.00 43.02 40.40 1ure s PHE 128 CO 0.43 0.39 1.45 1.63 -0.10 0.00 0.00 175.22 179.01 1ure n LYS 129 N 3.10 2.24 -0.59 0.44 5.02 -1.12 -2.69 118.16 124.56 1ure n LYS 129 Ca -0.17 -1.88 0.05 0.00 -2.02 0.00 0.00 58.31 54.29 1ure n LYS 129 Cb 0.53 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1ure n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ure n LYS 130 N 1.07 -1.43 -0.52 1.97 0.00 -1.26 -4.81 118.16 113.19 1ure n LYS 130 Ca 0.18 1.15 0.00 0.00 0.00 0.00 0.00 58.31 59.64 1ure n LYS 130 Cb 0.49 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49