#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 -2.36 -3.25 0.00 3.72 -1.26 -4.94 117.46 109.36 1ure n PHE 2 Ca 0.00 0.78 -0.04 0.00 -0.05 0.00 0.00 57.45 58.14 1ure n PHE 2 Cb 0.00 -4.42 -0.03 0.00 -0.94 0.00 0.00 39.48 34.09 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ure s ASP 3 N -3.06 -0.70 0.00 4.37 2.15 -1.26 -4.52 116.67 113.65 1ure s ASP 3 Ca 0.50 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 52.51 1ure s ASP 3 Cb -0.23 1.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.92 1ure s ASP 3 CO 0.62 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.02 1ure n GLY 4 N 4.43 -0.25 3.82 2.66 0.00 -1.00 -4.99 105.19 109.86 1ure n GLY 4 Ca 0.11 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1ure n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 5 N -4.00 4.80 -0.10 2.61 -4.23 -1.26 0.13 115.64 113.59 1ure s THR 5 Ca 0.00 -0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.74 1ure s THR 5 Cb 0.00 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.54 1ure s THR 5 CO 0.00 0.11 0.29 0.26 -0.54 0.00 0.00 174.62 174.74 1ure s TRP 6 N -1.45 -0.30 -0.33 3.99 0.52 0.55 -0.75 118.94 121.18 1ure s TRP 6 Ca 0.31 0.71 -0.01 0.00 0.02 0.00 0.00 56.10 57.13 1ure s TRP 6 Cb -0.12 0.10 0.13 0.00 -1.15 0.00 0.00 33.47 32.43 1ure s TRP 6 CO 0.24 -0.18 0.21 0.21 0.02 0.00 0.00 176.95 177.45 1ure s LYS 7 N -0.03 0.44 0.17 4.98 2.20 -1.26 0.12 119.74 126.36 1ure s LYS 7 Ca -0.02 -0.96 -0.31 0.00 -0.36 0.00 0.00 55.97 54.32 1ure s LYS 7 Cb -0.03 -1.14 -0.17 0.00 -1.51 0.00 0.00 37.83 34.99 1ure s LYS 7 CO 0.01 -1.14 0.86 1.55 -0.36 0.00 0.00 175.35 176.26 1ure n VAL 8 N 4.50 1.38 0.00 4.02 3.14 -0.89 -3.62 118.33 126.86 1ure n VAL 8 Ca 0.06 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1ure n VAL 8 Cb 0.40 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 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 1.79 2.92 -3.57 6.55 2.03 0.01 -4.70 116.55 121.58 1ure n ASP 9 Ca 0.16 -0.05 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 1ure n ASP 9 Cb 0.23 0.69 -0.06 0.00 -0.72 0.00 0.00 41.12 41.26 1ure n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ure s ARG 10 N -1.28 0.96 0.00 -0.67 1.70 -1.19 -5.06 118.95 113.42 1ure s ARG 10 Ca 0.00 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.84 1ure s ARG 10 Cb 0.00 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1ure s ARG 10 CO 0.00 -0.23 0.00 0.09 -1.08 0.00 0.00 175.30 174.08 1ure n ASN 11 N 1.68 0.91 -2.75 -2.89 4.13 -1.26 -0.92 115.26 114.16 1ure n ASN 11 Ca -0.17 -0.98 0.02 0.00 1.68 0.00 0.00 54.58 55.13 1ure n ASN 11 Cb 0.56 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.81 1ure n ASN 11 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 12 N -1.93 0.13 0.00 3.52 0.41 -0.06 -4.85 118.70 115.92 1ure s GLU 12 Ca 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 1ure s GLU 12 Cb 0.00 0.02 0.00 0.00 -1.78 0.00 0.00 34.13 32.37 1ure s GLU 12 CO 0.00 -0.19 0.00 -1.71 -0.49 0.00 0.00 175.26 172.87 1ure n ASN 13 N 3.69 0.00 -0.08 -0.19 5.15 -1.26 0.01 115.26 122.58 1ure n ASN 13 Ca 0.05 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.92 1ure n ASN 13 Cb 0.64 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.90 1ure n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ure h TYR 14 N 0.00 0.98 0.00 1.20 5.03 -1.78 -2.51 116.97 119.90 1ure h TYR 14 Ca 0.00 -0.30 -0.00 0.00 2.58 0.00 0.00 58.73 61.00 1ure h TYR 14 Cb 0.00 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.07 1ure h TYR 14 CO 0.00 1.09 -0.02 1.05 -1.32 0.00 0.00 178.16 178.96 1ure h GLU 15 N 0.66 0.00 0.19 1.82 -0.00 -1.93 -1.41 114.58 113.91 1ure h GLU 15 Ca 0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.10 1ure h GLU 15 Cb 0.99 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.76 1ure h GLU 15 CO 0.09 0.02 -1.35 -0.22 -0.00 0.00 0.00 179.01 177.55 1ure h LYS 16 N 0.00 0.41 0.00 1.06 3.64 -1.90 -3.25 116.57 116.53 1ure h LYS 16 Ca -0.00 -0.69 -0.10 0.00 -1.27 0.00 0.00 60.65 58.59 1ure h LYS 16 Cb 0.04 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ure h LYS 16 CO 0.00 1.33 -0.46 0.35 -2.27 0.00 0.00 179.45 178.40 1ure h PHE 17 N 0.12 0.00 0.00 1.91 3.57 -0.83 -2.40 116.94 119.31 1ure h PHE 17 Ca -0.19 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 1ure h PHE 17 Cb 2.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.79 1ure h PHE 17 CO 0.10 0.46 -0.37 0.52 -2.23 0.00 0.00 178.31 176.79 1ure h MET 18 N 0.00 0.00 0.00 1.11 2.86 -1.39 -1.77 114.93 115.74 1ure h MET 18 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1ure h MET 18 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1ure h MET 18 CO 0.06 0.37 -0.41 1.49 1.06 0.00 0.00 176.91 179.48 1ure h GLU 19 N 0.00 0.00 0.01 1.72 4.81 -1.48 -0.88 114.58 118.77 1ure h GLU 19 Ca -0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1ure h GLU 19 Cb 0.89 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1ure h GLU 19 CO 0.05 0.41 -0.98 -0.22 -0.73 0.00 0.00 179.01 177.53 1ure h LYS 20 N 0.00 0.03 0.00 1.92 1.63 -1.08 -3.10 116.57 115.97 1ure h LYS 20 Ca -0.00 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1ure h LYS 20 Cb 1.30 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1ure h LYS 20 CO 0.05 0.98 -0.32 1.98 -3.45 0.00 0.00 179.45 178.70 1ure h MET 21 N 0.01 0.00 -1.57 1.90 4.05 -1.31 -3.48 114.93 114.53 1ure h MET 21 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1ure h MET 21 Cb 1.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.52 1ure h MET 21 CO 0.13 0.32 0.00 0.41 0.23 0.00 0.00 176.91 178.00 1ure n GLY 22 N 0.99 0.77 0.10 1.39 0.00 -1.01 -4.97 105.19 102.47 1ure n GLY 22 Ca 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1ure n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ure h ILE 23 N 0.00 1.44 -1.56 -0.61 1.08 -1.41 -3.47 117.51 112.98 1ure h ILE 23 Ca 0.00 -3.05 0.00 0.00 -0.39 0.00 0.00 64.86 61.42 1ure h ILE 23 Cb 0.58 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 1ure h ILE 23 CO 0.00 0.88 0.00 -3.20 -0.69 0.00 0.00 178.15 175.14 1ure n ASN 24 N -3.47 -1.04 0.00 1.72 4.05 -1.26 -4.48 115.26 110.78 1ure n ASN 24 Ca -0.09 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1ure n ASN 24 Cb 1.02 -0.52 0.00 0.00 1.23 0.00 0.00 39.78 41.51 1ure n ASN 24 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1ure n VAL 25 N 0.42 0.00 -0.05 3.44 3.14 -1.26 -1.17 118.33 122.84 1ure n VAL 25 Ca 0.00 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 1ure n VAL 25 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1ure h VAL 26 N 0.00 1.32 0.00 1.55 -1.51 -2.01 -3.30 116.25 112.30 1ure h VAL 26 Ca 0.00 -1.73 -0.02 0.00 -1.23 0.00 0.00 66.70 63.72 1ure h VAL 26 Cb 0.00 1.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1ure h VAL 26 CO 0.00 0.54 -0.10 0.11 -1.23 0.00 0.00 177.57 176.89 1ure h LYS 27 N 0.38 0.00 0.00 5.19 1.57 -1.37 -1.96 116.57 120.37 1ure h LYS 27 Ca -0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1ure h LYS 27 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1ure h LYS 27 CO 0.11 0.10 -0.56 0.07 -0.57 0.00 0.00 179.45 178.60 1ure h ARG 28 N 0.00 0.00 -0.04 3.15 0.11 -1.71 0.11 114.38 116.00 1ure h ARG 28 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1ure h ARG 28 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1ure h ARG 28 CO 0.01 0.56 -0.30 -0.22 0.10 0.00 0.00 179.97 180.12 1ure h LYS 29 N 0.00 0.28 -0.04 0.08 3.64 -1.46 0.18 116.57 119.26 1ure h LYS 29 Ca -0.01 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 58.98 1ure h LYS 29 Cb 1.42 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1ure h LYS 29 CO 0.07 0.91 -0.65 -0.07 -2.27 0.00 0.00 179.45 177.44 1ure h LEU 30 N -0.26 0.19 -0.31 5.20 4.07 -1.46 -2.75 115.31 119.99 1ure h LEU 30 Ca -0.03 -0.12 -0.20 0.00 0.08 0.00 0.00 57.88 57.62 1ure h LEU 30 Cb 0.98 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 1ure h LEU 30 CO 0.06 0.79 -0.84 1.23 -1.08 0.00 0.00 178.44 178.61 1ure h GLY 31 N 1.66 0.37 2.00 0.83 0.00 -0.77 -2.85 103.07 104.32 1ure h GLY 31 Ca -0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1ure h GLY 31 CO 0.10 0.53 -0.45 0.00 0.00 0.00 0.00 176.54 176.72 1ure h ALA 32 N 0.90 0.93 -2.04 3.60 0.00 -0.54 -3.32 119.26 118.79 1ure h ALA 32 Ca -0.05 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 53.90 1ure h ALA 32 Cb 1.44 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 18.75 1ure h ALA 32 CO 0.14 0.56 -0.79 1.58 0.00 0.00 0.00 179.25 180.74 1ure n HIS 33 N -3.53 3.08 0.29 0.00 -0.00 -1.05 -4.90 115.22 109.12 1ure n HIS 33 Ca -0.00 -3.76 0.12 0.00 -0.00 0.00 0.00 57.72 54.08 1ure n HIS 33 Cb 0.57 -0.40 0.04 0.00 -0.00 0.00 0.00 29.99 30.19 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 -0.18 0.73 -0.51 0.26 5.68 -1.08 -4.84 116.55 116.62 1ure n ASP 34 Ca 0.30 0.17 -0.05 0.00 -0.50 0.00 0.00 54.79 54.71 1ure n ASP 34 Cb 0.51 0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 40.99 1ure n ASP 34 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1ure n ASN 35 N -2.40 -2.57 -4.49 -1.12 5.15 -1.26 -2.88 115.26 105.68 1ure n ASN 35 Ca 0.01 0.03 -0.45 0.00 -0.60 0.00 0.00 54.58 53.57 1ure n ASN 35 Cb 0.50 -1.54 -0.07 0.00 -0.53 0.00 0.00 39.78 38.15 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ure n LEU 36 N -0.66 2.09 -4.29 1.20 7.94 -1.26 -4.75 117.00 117.26 1ure n LEU 36 Ca -0.06 0.15 -0.42 0.00 -1.11 0.00 0.00 56.01 54.57 1ure n LEU 36 Cb 0.43 -1.33 -0.09 0.00 0.53 0.00 0.00 43.42 42.97 1ure n LEU 36 CO 0.07 -0.92 -0.04 -0.75 -1.11 0.00 0.00 177.39 174.64 1ure s LYS 37 N 7.05 2.71 -0.31 1.96 2.20 -1.24 -2.09 119.74 130.01 1ure s LYS 37 Ca 1.09 -1.49 -0.22 0.00 -0.36 0.00 0.00 55.97 54.99 1ure s LYS 37 Cb -0.69 -3.93 -0.00 0.00 -1.51 0.00 0.00 37.83 31.70 1ure s LYS 37 CO 0.42 -1.03 0.72 -1.17 -0.36 0.00 0.00 175.35 173.93 1ure s LEU 38 N 1.48 4.12 -0.49 5.43 2.96 0.32 -3.01 118.68 129.49 1ure s LEU 38 Ca 0.04 0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1ure s LEU 38 Cb -0.24 -2.96 0.13 0.00 0.50 0.00 0.00 46.19 43.61 1ure s LEU 38 CO 0.03 -0.56 0.34 -0.89 -1.32 0.00 0.00 176.35 173.94 1ure s THR 39 N 2.82 3.98 0.26 3.68 2.01 0.16 -0.33 115.64 128.22 1ure s THR 39 Ca 0.29 -2.03 -0.26 0.00 0.31 0.00 0.00 61.69 60.00 1ure s THR 39 Cb -0.14 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1ure s THR 39 CO 0.12 -0.78 0.89 -0.63 -0.69 0.00 0.00 174.62 173.53 1ure s ILE 40 N 1.09 4.24 -0.42 1.82 1.01 0.34 0.20 121.20 129.48 1ure s ILE 40 Ca 0.08 1.82 0.04 0.00 0.00 0.00 0.00 60.65 62.59 1ure s ILE 40 Cb -0.24 -4.11 0.17 0.00 0.01 0.00 0.00 42.46 38.29 1ure s ILE 40 CO -0.02 0.32 0.41 -0.89 0.00 0.00 0.00 174.94 174.76 1ure s THR 41 N -1.39 -0.07 0.02 2.92 2.01 -0.83 -2.37 115.64 115.93 1ure s THR 41 Ca 0.44 -1.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.26 1ure s THR 41 Cb -0.21 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1ure s THR 41 CO 0.26 -0.85 0.85 -1.58 -0.69 0.00 0.00 174.62 172.61 1ure s GLN 42 N 0.59 4.54 -0.68 4.92 0.74 -1.26 -3.03 119.66 125.48 1ure s GLN 42 Ca 0.28 1.20 0.05 0.00 0.05 0.00 0.00 55.36 56.93 1ure s GLN 42 Cb -0.04 -3.41 0.28 0.00 1.10 0.00 0.00 33.01 30.94 1ure s GLN 42 CO -0.11 0.12 0.89 -1.91 -0.55 0.00 0.00 175.29 173.73 1ure n GLU 43 N 3.35 2.95 0.00 1.67 0.00 -0.74 -4.94 120.64 122.93 1ure n GLU 43 Ca 0.01 -4.71 0.00 0.00 0.00 0.00 0.00 57.16 52.46 1ure n GLU 43 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.66 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 44 N 0.62 2.07 0.08 8.31 0.00 -1.26 -3.48 105.19 111.52 1ure n GLY 44 Ca 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 5.19 3.03 -4.74 1.61 4.13 -1.26 -5.01 115.26 118.21 1ure n ASN 45 Ca 0.00 -0.06 -0.37 0.00 1.68 0.00 0.00 54.58 55.83 1ure n ASN 45 Cb 0.00 -0.19 0.05 0.00 -1.54 0.00 0.00 39.78 38.10 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 -2.23 2.88 -0.23 3.52 2.20 -1.23 -4.11 119.74 120.54 1ure s LYS 46 Ca -0.16 2.03 -0.03 0.00 -0.36 0.00 0.00 55.97 57.45 1ure s LYS 46 Cb 0.04 -2.00 0.08 0.00 -1.51 0.00 0.00 37.83 34.44 1ure s LYS 46 CO 0.27 -1.33 0.09 -0.06 -0.36 0.00 0.00 175.35 173.95 1ure s PHE 47 N -1.43 0.72 -0.23 4.03 0.08 -1.23 -1.79 117.98 118.14 1ure s PHE 47 Ca 0.77 -0.87 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 1ure s PHE 47 Cb -0.36 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 1ure s PHE 47 CO 0.40 -0.69 0.18 -0.08 -0.10 0.00 0.00 175.22 174.93 1ure s THR 48 N 1.96 5.35 -0.29 0.64 -1.32 -1.17 -0.42 115.64 120.39 1ure s THR 48 Ca 0.04 0.24 -0.07 0.00 -1.21 0.00 0.00 61.69 60.69 1ure s THR 48 Cb -0.17 -3.52 -0.00 0.00 -1.51 0.00 0.00 72.50 67.31 1ure s THR 48 CO -0.19 0.35 0.09 0.54 -2.21 0.00 0.00 174.62 173.20 1ure s VAL 49 N 0.94 4.14 -0.71 5.08 0.11 0.66 -1.96 120.40 128.66 1ure s VAL 49 Ca 0.09 -0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 58.32 1ure s VAL 49 Cb -0.13 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.65 1ure s VAL 49 CO 0.04 0.12 1.35 -0.75 -3.33 0.00 0.00 175.10 172.53 1ure s LYS 50 N 1.54 3.14 -1.16 1.54 2.20 0.13 -0.45 119.74 126.68 1ure s LYS 50 Ca 0.04 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.51 1ure s LYS 50 Cb -0.17 -4.20 0.24 0.00 -1.51 0.00 0.00 37.83 32.19 1ure s LYS 50 CO 0.03 -2.20 1.92 -1.91 -0.36 0.00 0.00 175.35 172.83 1ure n GLU 51 N 9.30 4.73 -0.99 4.03 2.13 -1.23 -0.66 120.64 137.95 1ure n GLU 51 Ca 0.06 -4.13 -0.29 0.00 0.66 0.00 0.00 57.16 53.45 1ure n GLU 51 Cb 0.49 -2.59 -0.02 0.00 0.27 0.00 0.00 31.44 29.59 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 1.34 6.47 -4.11 4.31 7.64 -1.16 -3.98 113.62 124.11 1ure n SER 52 Ca 0.46 -2.43 -0.29 0.00 1.01 0.00 0.00 58.87 57.61 1ure n SER 52 Cb 0.29 -1.29 0.19 0.00 -1.01 0.00 0.00 64.21 62.38 1ure n SER 52 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ure s SER 53 N 2.92 3.11 0.44 6.43 0.01 0.27 -3.72 113.70 123.17 1ure s SER 53 Ca 0.52 0.07 0.14 0.00 1.31 0.00 0.00 55.95 57.98 1ure s SER 53 Cb 0.13 -0.09 0.98 0.00 0.21 0.00 0.00 66.02 67.26 1ure s SER 53 CO -0.04 -2.72 1.99 -1.13 0.41 0.00 0.00 173.24 171.75 1ure h ASN 54 N -1.54 0.05 0.29 2.44 -0.73 -1.82 -3.11 115.58 111.15 1ure h ASN 54 Ca -0.42 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.72 1ure h ASN 54 Cb 1.23 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.81 1ure h ASN 54 CO 0.34 0.20 -0.14 -0.26 -0.37 0.00 0.00 177.43 177.21 1ure h PHE 55 N 0.05 -0.36 -4.59 0.67 -1.00 -1.91 -3.47 116.94 106.32 1ure h PHE 55 Ca 0.01 -0.01 -0.27 0.00 2.81 0.00 0.00 57.97 60.52 1ure h PHE 55 Cb 0.30 0.12 -0.15 0.00 3.61 0.00 0.00 35.95 39.83 1ure h PHE 55 CO 0.00 -0.22 -0.61 1.03 -1.61 0.00 0.00 178.31 176.90 1ure s ARG 56 N -3.13 1.26 -0.71 1.51 0.52 -1.18 -5.05 118.95 112.17 1ure s ARG 56 Ca -0.06 -1.67 0.04 0.00 -0.52 0.00 0.00 55.73 53.53 1ure s ARG 56 Cb 0.01 0.26 0.25 0.00 0.52 0.00 0.00 34.95 35.99 1ure s ARG 56 CO 0.17 -0.41 0.85 -1.71 0.02 0.00 0.00 175.30 174.21 1ure n ASN 57 N -0.40 4.14 -4.20 0.23 5.15 -1.26 -0.56 115.26 118.37 1ure n ASN 57 Ca 0.02 -3.43 -0.41 0.00 -0.60 0.00 0.00 54.58 50.17 1ure n ASN 57 Cb 0.66 -0.77 -0.07 0.00 -0.53 0.00 0.00 39.78 39.07 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ure s ILE 58 N -2.46 4.50 -0.06 -1.44 1.10 -1.26 -4.97 121.20 116.60 1ure s ILE 58 Ca 0.38 -2.64 -0.29 0.00 -0.51 0.00 0.00 60.65 57.58 1ure s ILE 58 Cb 0.12 -3.86 -0.07 0.00 0.15 0.00 0.00 42.46 38.80 1ure s ILE 58 CO -0.00 -0.92 2.02 -1.81 -2.11 0.00 0.00 174.94 172.11 1ure s ASP 59 N 1.48 6.13 -0.43 4.50 1.11 -1.26 -3.50 116.67 124.70 1ure s ASP 59 Ca 0.16 2.35 -0.12 0.00 0.18 0.00 0.00 52.55 55.12 1ure s ASP 59 Cb -0.17 -2.52 0.07 0.00 1.07 0.00 0.00 42.92 41.36 1ure s ASP 59 CO -0.05 -1.36 0.30 0.54 1.18 0.00 0.00 175.17 175.78 1ure s VAL 60 N 5.73 4.63 0.43 -1.27 0.11 0.41 -4.83 120.40 125.61 1ure s VAL 60 Ca 0.91 -1.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1ure s VAL 60 Cb -0.38 -3.77 -0.09 0.00 -1.53 0.00 0.00 36.38 30.61 1ure s VAL 60 CO 0.38 -0.49 0.88 0.68 -3.33 0.00 0.00 175.10 173.22 1ure s VAL 61 N 1.52 4.57 -0.34 2.04 -7.23 -1.26 -0.25 120.40 119.46 1ure s VAL 61 Ca 0.03 1.12 0.04 0.00 -1.81 0.00 0.00 61.98 61.36 1ure s VAL 61 Cb -0.23 -3.66 0.19 0.00 0.56 0.00 0.00 36.38 33.24 1ure s VAL 61 CO 0.04 -0.44 0.68 0.72 -0.31 0.00 0.00 175.10 175.79 1ure s PHE 62 N -2.31 -1.59 0.13 2.82 -0.12 0.43 -4.94 117.98 112.40 1ure s PHE 62 Ca 0.57 0.62 -0.31 0.00 -0.05 0.00 0.00 56.93 57.76 1ure s PHE 62 Cb -0.10 0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 42.48 1ure s PHE 62 CO 0.23 -0.99 1.53 -1.21 -0.05 0.00 0.00 175.22 174.73 1ure s GLU 63 N 2.40 4.24 0.04 1.99 2.02 -1.26 -3.52 118.70 124.61 1ure s GLU 63 Ca 0.14 2.26 -0.30 0.00 0.02 0.00 0.00 54.97 57.09 1ure s GLU 63 Cb -0.06 -3.27 -0.08 0.00 0.10 0.00 0.00 34.13 30.81 1ure s GLU 63 CO -0.18 -0.58 1.88 -0.51 0.02 0.00 0.00 175.26 175.89 1ure s LEU 64 N 1.44 4.41 -0.89 1.80 1.02 -1.26 -2.02 118.68 123.19 1ure s LEU 64 Ca 0.69 2.60 0.00 0.00 0.02 0.00 0.00 54.13 57.44 1ure s LEU 64 Cb -0.41 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.27 1ure s LEU 64 CO 0.31 -1.02 0.00 0.61 0.02 0.00 0.00 176.35 176.27 1ure n GLY 65 N 4.40 0.48 0.02 -3.19 0.00 -1.04 -4.91 105.19 100.95 1ure n GLY 65 Ca 0.19 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1ure n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ure n VAL 66 N -3.44 0.12 -0.22 1.61 0.31 -0.85 -5.04 118.33 110.81 1ure n VAL 66 Ca -0.10 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1ure n VAL 66 Cb 0.46 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1ure n VAL 66 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ure n ASP 67 N -2.20 -1.61 -3.40 4.52 9.92 -1.26 -5.04 116.55 117.48 1ure n ASP 67 Ca -0.06 0.21 -0.04 0.00 -0.53 0.00 0.00 54.79 54.38 1ure n ASP 67 Cb 0.54 0.18 0.01 0.00 -0.64 0.00 0.00 41.12 41.21 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ure s PHE 68 N -3.20 0.04 -0.05 1.24 -0.71 -1.13 -4.92 117.98 109.24 1ure s PHE 68 Ca 0.00 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 1ure s PHE 68 Cb 0.00 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.52 1ure s PHE 68 CO 0.00 -0.96 -0.13 0.00 -1.34 0.00 0.00 175.22 172.79 1ure s ALA 69 N -2.41 1.24 -0.22 1.99 0.00 -1.26 -1.80 121.76 119.30 1ure s ALA 69 Ca 0.19 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1ure s ALA 69 Cb -0.03 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.64 1ure s ALA 69 CO 0.05 0.15 -0.06 -0.47 0.00 0.00 0.00 175.76 175.43 1ure s TYR 70 N 0.46 2.32 0.39 0.00 5.04 0.79 -4.95 117.35 121.41 1ure s TYR 70 Ca -0.10 -1.65 -0.25 0.00 -2.44 0.00 0.00 57.07 52.63 1ure s TYR 70 Cb -0.14 -1.56 -0.09 0.00 0.35 0.00 0.00 41.96 40.52 1ure s TYR 70 CO 0.03 -0.75 1.09 -1.12 -1.34 0.00 0.00 175.55 173.45 1ure s SER 71 N 1.42 6.70 0.08 4.32 0.01 -1.26 -2.60 113.70 122.37 1ure s SER 71 Ca -0.04 2.14 0.01 0.00 1.31 0.00 0.00 55.95 59.37 1ure s SER 71 Cb -0.18 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.46 1ure s SER 71 CO -0.07 -0.54 0.08 0.18 0.41 0.00 0.00 173.24 173.30 1ure n LEU 72 N 0.03 0.00 -0.80 2.44 4.77 -1.26 -4.87 117.00 117.31 1ure n LEU 72 Ca 0.05 -0.42 0.07 0.00 -0.03 0.00 0.00 56.01 55.67 1ure n LEU 72 Cb 0.48 -0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.75 1ure n LEU 72 CO 0.47 -0.36 0.67 0.00 -1.33 0.00 0.00 177.39 176.84 1ure n ALA 73 N -2.84 2.39 0.00 -1.18 0.00 -1.26 -4.02 120.51 113.59 1ure n ALA 73 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1ure n ALA 73 Cb 0.09 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1ure n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ure n ASP 74 N 0.47 1.63 0.00 0.00 5.68 -1.26 -4.95 116.55 118.12 1ure n ASP 74 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1ure n ASP 74 Cb 0.55 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ure n GLY 75 N 2.18 0.34 0.92 6.12 0.00 -1.26 -4.95 105.19 108.54 1ure n GLY 75 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ure n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ure n THR 76 N -0.23 0.00 0.00 2.61 -2.24 -1.26 -4.90 114.28 108.27 1ure n THR 76 Ca 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1ure n THR 76 Cb 0.07 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ure n GLU 77 N -3.59 0.00 -3.45 -0.78 1.02 -1.26 -4.43 120.64 108.15 1ure n GLU 77 Ca -0.02 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.93 1ure n GLU 77 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.73 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ure s LEU 78 N 0.00 -0.12 0.43 -4.62 0.20 -1.07 -3.57 118.68 109.93 1ure s LEU 78 Ca 0.00 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.36 1ure s LEU 78 Cb 0.00 0.39 -0.01 0.00 -0.43 0.00 0.00 46.19 46.14 1ure s LEU 78 CO 0.00 -0.36 0.41 -0.89 -0.29 0.00 0.00 176.35 175.21 1ure s THR 79 N 2.33 2.61 -5.00 3.68 2.01 0.13 -0.15 115.64 121.24 1ure s THR 79 Ca 0.08 -1.31 0.00 0.00 0.31 0.00 0.00 61.69 60.77 1ure s THR 79 Cb -0.15 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1ure s THR 79 CO -0.24 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 1ure n GLY 80 N -1.61 -0.87 3.17 4.40 0.00 -0.75 0.14 105.19 109.68 1ure n GLY 80 Ca 0.04 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.57 0.16 0.18 2.61 -4.23 0.55 -2.82 115.64 109.52 1ure s THR 81 Ca 0.00 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1ure s THR 81 Cb 0.00 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1ure s THR 81 CO 0.00 -0.72 0.26 0.26 -0.54 0.00 0.00 174.62 173.87 1ure s TRP 82 N -3.91 3.36 -0.17 3.99 0.52 -1.26 -0.82 118.94 120.65 1ure s TRP 82 Ca 0.08 0.03 -0.07 0.00 0.02 0.00 0.00 56.10 56.16 1ure s TRP 82 Cb 0.06 -1.58 0.07 0.00 -1.15 0.00 0.00 33.47 30.87 1ure s TRP 82 CO -0.09 0.50 0.37 -0.08 0.02 0.00 0.00 176.95 177.67 1ure s THR 83 N -1.83 -0.35 -0.43 2.01 -1.32 0.35 -2.49 115.64 111.59 1ure s THR 83 Ca 0.33 0.16 -0.26 0.00 -1.21 0.00 0.00 61.69 60.72 1ure s THR 83 Cb -0.10 -0.58 0.02 0.00 -1.51 0.00 0.00 72.50 70.33 1ure s THR 83 CO 0.27 0.07 0.94 -0.32 -2.21 0.00 0.00 174.62 173.37 1ure s MET 84 N 2.06 3.66 0.00 7.08 1.75 -1.26 -0.49 119.30 132.11 1ure s MET 84 Ca -0.04 0.35 -0.25 0.00 -1.25 0.00 0.00 55.69 54.50 1ure s MET 84 Cb -0.11 -3.88 -0.19 0.00 2.84 0.00 0.00 34.83 33.50 1ure s MET 84 CO -0.12 -1.13 1.36 0.93 -0.65 0.00 0.00 175.02 175.41 1ure h GLU 85 N 8.86 0.03 0.00 4.11 5.08 -1.45 -3.48 114.58 127.74 1ure h GLU 85 Ca -0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ure h GLU 85 Cb 1.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1ure h GLU 85 CO 1.02 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 179.86 1ure n GLY 86 N -0.02 -0.06 0.65 -3.84 0.00 -1.26 -4.90 105.19 95.76 1ure n GLY 86 Ca -0.08 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1ure n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ure n ASN 87 N 0.00 2.80 -3.66 1.61 0.23 -1.26 -4.94 115.26 110.04 1ure n ASN 87 Ca 0.00 -1.90 -0.07 0.00 -0.53 0.00 0.00 54.58 52.08 1ure n ASN 87 Cb 0.00 -0.20 -0.08 0.00 -2.08 0.00 0.00 39.78 37.42 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ure s LYS 88 N -1.00 0.55 0.32 -3.83 3.01 -1.26 -4.73 119.74 112.81 1ure s LYS 88 Ca 0.23 1.14 -0.19 0.00 -1.01 0.00 0.00 55.97 56.14 1ure s LYS 88 Cb 0.12 0.27 -0.09 0.00 -1.01 0.00 0.00 37.83 37.12 1ure s LYS 88 CO 0.17 -0.18 0.81 -0.51 0.51 0.00 0.00 175.35 176.15 1ure s LEU 89 N 1.96 4.15 -0.02 3.17 1.43 -1.18 -1.05 118.68 127.12 1ure s LEU 89 Ca -0.08 1.49 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1ure s LEU 89 Cb -0.08 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1ure s LEU 89 CO -0.17 -0.16 -0.02 -0.69 0.23 0.00 0.00 176.35 175.54 1ure s VAL 90 N -1.86 0.24 -0.39 -1.59 1.01 0.36 -0.58 120.40 117.59 1ure s VAL 90 Ca 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1ure s VAL 90 Cb -0.13 -0.28 0.09 0.00 0.00 0.00 0.00 36.38 36.06 1ure s VAL 90 CO 0.18 0.13 0.18 -0.83 0.00 0.00 0.00 175.10 174.75 1ure s GLY 91 N 0.61 1.93 -0.30 4.51 0.00 0.59 0.13 107.32 114.80 1ure s GLY 91 Ca -0.06 -2.26 -0.13 0.00 0.00 0.00 0.00 44.72 42.27 1ure s GLY 91 CO -0.01 0.94 0.26 0.54 0.00 0.00 0.00 173.10 174.83 1ure s LYS 92 N 1.25 3.83 -0.20 2.90 1.02 -0.00 -1.49 119.74 127.05 1ure s LYS 92 Ca 0.04 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.73 1ure s LYS 92 Cb -0.22 -3.70 0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1ure s LYS 92 CO -0.02 -0.29 -0.12 -0.06 -0.92 0.00 0.00 175.35 173.94 1ure s PHE 93 N 1.86 2.59 -0.08 3.18 0.08 0.89 -0.33 117.98 126.17 1ure s PHE 93 Ca 0.09 -1.69 -0.08 0.00 0.12 0.00 0.00 56.93 55.37 1ure s PHE 93 Cb -0.16 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1ure s PHE 93 CO 0.11 -0.77 0.20 0.15 -0.10 0.00 0.00 175.22 174.81 1ure s LYS 94 N 1.34 3.55 -0.17 0.44 1.02 0.37 -1.06 119.74 125.22 1ure s LYS 94 Ca -0.01 -0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.83 1ure s LYS 94 Cb -0.16 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1ure s LYS 94 CO -0.09 0.75 0.25 0.50 -0.92 0.00 0.00 175.35 175.85 1ure s ARG 95 N -1.11 4.24 0.24 1.68 3.52 -1.04 0.19 118.95 126.66 1ure s ARG 95 Ca 0.18 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1ure s ARG 95 Cb -0.13 -3.43 0.27 0.00 -1.56 0.00 0.00 34.95 30.10 1ure s ARG 95 CO 0.07 0.24 1.61 -0.39 -0.81 0.00 0.00 175.30 176.01 1ure h VAL 96 N 4.71 1.31 0.00 7.11 -1.51 -1.90 0.15 116.25 126.12 1ure h VAL 96 Ca -0.41 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 1ure h VAL 96 Cb 1.16 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1ure h VAL 96 CO 0.75 0.50 0.00 0.47 -1.23 0.00 0.00 177.57 178.06 1ure n ASP 97 N -4.01 0.00 0.00 4.19 9.92 -1.26 -3.61 116.55 121.79 1ure n ASP 97 Ca -0.02 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1ure n ASP 97 Cb 0.53 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1ure n ASN 98 N -1.42 0.00 -1.25 -2.24 6.94 -1.13 -5.02 115.26 111.14 1ure n ASN 98 Ca 0.02 -1.00 -0.15 0.00 -0.02 0.00 0.00 54.58 53.43 1ure n ASN 98 Cb 0.06 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ure n GLY 99 N 0.00 1.18 3.52 4.83 0.00 0.50 -5.01 105.19 110.22 1ure n GLY 99 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.54 -0.30 -3.66 1.61 4.76 -1.17 -4.88 118.16 111.98 1ure n LYS 100 Ca -0.15 -2.33 -0.17 0.00 -2.87 0.00 0.00 58.31 52.78 1ure n LYS 100 Cb 0.52 -0.74 -0.15 0.00 -1.84 0.00 0.00 35.03 32.81 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ure s GLU 101 N -5.03 0.04 -0.15 1.97 2.12 -1.26 -2.50 118.70 113.90 1ure s GLU 101 Ca 0.62 0.54 -0.11 0.00 0.36 0.00 0.00 54.97 56.38 1ure s GLU 101 Cb -0.03 -0.33 -0.05 0.00 0.26 0.00 0.00 34.13 33.98 1ure s GLU 101 CO 0.42 -0.33 0.20 -1.17 -0.54 0.00 0.00 175.26 173.84 1ure s LEU 102 N 2.30 4.29 0.24 2.70 0.20 -0.22 -4.18 118.68 124.00 1ure s LEU 102 Ca 0.03 0.44 0.10 0.00 0.69 0.00 0.00 54.13 55.39 1ure s LEU 102 Cb -0.12 -2.20 -0.05 0.00 -0.43 0.00 0.00 46.19 43.39 1ure s LEU 102 CO -0.06 0.24 -0.18 -0.51 -0.29 0.00 0.00 176.35 175.54 1ure s ILE 103 N -0.13 2.18 -0.12 6.68 2.07 0.77 -0.07 121.20 132.57 1ure s ILE 103 Ca 0.14 -2.28 -0.23 0.00 -1.41 0.00 0.00 60.65 56.86 1ure s ILE 103 Cb -0.12 -2.17 0.06 0.00 0.13 0.00 0.00 42.46 40.35 1ure s ILE 103 CO 0.03 -0.44 0.57 0.00 -1.91 0.00 0.00 174.94 173.18 1ure s ALA 104 N -2.58 -1.44 -0.15 1.50 0.00 -0.56 -0.56 121.76 117.98 1ure s ALA 104 Ca 0.26 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1ure s ALA 104 Cb -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1ure s ALA 104 CO 0.11 -0.31 -0.02 0.54 0.00 0.00 0.00 175.76 176.08 1ure s VAL 105 N -0.55 0.82 -0.97 0.00 0.11 0.57 -0.30 120.40 120.10 1ure s VAL 105 Ca -0.07 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 1ure s VAL 105 Cb -0.03 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1ure s VAL 105 CO 0.05 0.08 1.62 -0.13 -3.33 0.00 0.00 175.10 173.39 1ure s ARG 106 N 1.76 3.22 -1.26 1.54 0.52 0.25 -2.19 118.95 122.79 1ure s ARG 106 Ca 0.01 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 1ure s ARG 106 Cb -0.15 -5.21 0.14 0.00 0.52 0.00 0.00 34.95 30.25 1ure s ARG 106 CO -0.07 -2.60 1.64 0.39 0.02 0.00 0.00 175.30 174.67 1ure n GLU 107 N 8.90 3.34 -1.54 3.54 1.02 0.29 -3.12 120.64 133.06 1ure n GLU 107 Ca 0.34 -3.57 -0.17 0.00 -0.02 0.00 0.00 57.16 53.74 1ure n GLU 107 Cb 0.50 -3.15 -0.11 0.00 -0.02 0.00 0.00 31.44 28.66 1ure n GLU 107 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ure n ILE 108 N 4.84 -0.01 -1.67 -3.67 2.08 -1.26 -3.19 119.36 116.49 1ure n ILE 108 Ca 0.41 -0.51 -0.41 0.00 0.56 0.00 0.00 62.75 62.80 1ure n ILE 108 Cb 0.42 -1.55 -0.01 0.00 -0.75 0.00 0.00 39.64 37.75 1ure n ILE 108 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1ure n SER 109 N 15.39 5.42 0.00 4.38 7.64 0.37 -4.84 113.62 141.97 1ure n SER 109 Ca 0.52 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1ure n SER 109 Cb 0.36 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ure n GLY 110 N 3.80 0.30 0.12 0.23 0.00 -1.26 -0.26 105.19 108.11 1ure n GLY 110 Ca 0.59 0.48 0.01 0.00 0.00 0.00 0.00 46.02 47.10 1ure n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ure h ASN 111 N 0.00 0.00 -3.38 1.61 4.21 -1.96 -3.45 115.58 112.62 1ure h ASN 111 Ca 0.00 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.86 1ure h ASN 111 Cb 0.00 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 36.96 1ure h ASN 111 CO 0.00 0.59 -0.69 -1.61 -1.29 0.00 0.00 177.43 174.43 1ure s GLU 112 N -2.92 3.54 0.18 0.81 2.02 0.64 -3.86 118.70 119.11 1ure s GLU 112 Ca 0.02 -0.57 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 1ure s GLU 112 Cb 0.08 -2.96 -0.08 0.00 0.10 0.00 0.00 34.13 31.28 1ure s GLU 112 CO 0.77 0.05 0.67 -1.17 0.02 0.00 0.00 175.26 175.60 1ure s LEU 113 N 0.86 4.39 -0.04 1.80 0.20 -1.06 0.14 118.68 124.97 1ure s LEU 113 Ca -0.01 1.34 -0.02 0.00 0.69 0.00 0.00 54.13 56.13 1ure s LEU 113 Cb -0.15 -3.40 0.02 0.00 -0.43 0.00 0.00 46.19 42.23 1ure s LEU 113 CO 0.01 0.10 0.08 -0.63 -0.29 0.00 0.00 176.35 175.63 1ure s ILE 114 N -1.42 -0.02 -0.21 6.68 -1.09 -1.19 0.67 121.20 124.62 1ure s ILE 114 Ca 0.39 0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1ure s ILE 114 Cb -0.17 -0.14 -0.02 0.00 -1.58 0.00 0.00 42.46 40.55 1ure s ILE 114 CO 0.21 0.03 -0.01 -1.10 -1.23 0.00 0.00 174.94 172.83 1ure s GLN 115 N 0.42 3.54 0.03 2.79 -0.21 -0.86 0.11 119.66 125.48 1ure s GLN 115 Ca -0.03 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 54.82 1ure s GLN 115 Cb -0.05 -3.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 1ure s GLN 115 CO -0.02 -0.05 -0.08 0.95 -2.12 0.00 0.00 175.29 173.97 1ure s THR 116 N 1.15 0.57 -0.97 -0.19 -4.23 -0.93 0.96 115.64 112.01 1ure s THR 116 Ca 0.03 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1ure s THR 116 Cb -0.14 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1ure s THR 116 CO 0.01 -0.25 0.00 -1.22 -0.54 0.00 0.00 174.62 172.62 1ure n TYR 117 N 1.78 0.00 -2.48 3.99 4.01 -1.19 0.21 117.16 123.48 1ure n TYR 117 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1ure n TYR 117 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1ure n TYR 117 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1ure n THR 118 N 1.74 0.00 -0.06 -0.72 5.66 0.28 0.13 114.28 121.31 1ure n THR 118 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1ure n THR 118 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 1ure n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ure n TYR 119 N 0.00 0.00 0.00 1.09 9.36 -1.26 0.27 117.16 126.62 1ure n TYR 119 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ure n TYR 119 Cb 0.00 -0.57 0.00 0.00 -0.63 0.00 0.00 39.34 38.14 1ure n TYR 119 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ure n GLU 120 N -2.51 0.00 -0.43 2.98 1.02 -1.26 -2.40 120.64 118.05 1ure n GLU 120 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1ure n GLU 120 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.28 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 0.27 0.36 3.02 0.62 0.00 -1.26 -4.99 105.19 103.21 1ure n GLY 121 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ure n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 122 N 0.00 2.91 1.37 1.61 1.01 -1.26 -5.07 120.40 120.97 1ure s VAL 122 Ca 0.00 -2.91 -0.22 0.00 0.00 0.00 0.00 61.98 58.85 1ure s VAL 122 Cb 0.00 -3.00 0.34 0.00 0.00 0.00 0.00 36.38 33.72 1ure s VAL 122 CO 0.00 -0.77 0.79 -0.62 0.00 0.00 0.00 175.10 174.49 1ure n GLU 123 N 3.58 -4.24 -3.15 2.72 1.02 -1.25 -4.38 120.64 114.94 1ure n GLU 123 Ca 0.05 -1.26 0.05 0.00 -0.02 0.00 0.00 57.16 55.98 1ure n GLU 123 Cb 0.36 -1.86 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ure s ALA 124 N -2.13 -3.61 0.22 0.62 0.00 0.36 -3.97 121.76 113.25 1ure s ALA 124 Ca 0.62 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.69 1ure s ALA 124 Cb -0.12 -2.66 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 1ure s ALA 124 CO 0.53 -1.80 0.85 0.15 0.00 0.00 0.00 175.76 175.49 1ure s LYS 125 N 2.94 4.63 -0.57 0.00 3.01 0.10 -3.18 119.74 126.67 1ure s LYS 125 Ca 0.15 1.26 0.05 0.00 -1.01 0.00 0.00 55.97 56.41 1ure s LYS 125 Cb -0.06 -3.14 0.18 0.00 -1.01 0.00 0.00 37.83 33.80 1ure s LYS 125 CO -0.18 0.48 0.44 0.54 0.51 0.00 0.00 175.35 177.14 1ure n ARG 126 N 1.27 1.14 -1.91 1.68 1.74 0.27 -0.88 116.66 119.97 1ure n ARG 126 Ca -0.03 -3.90 -0.42 0.00 -0.77 0.00 0.00 57.85 52.73 1ure n ARG 126 Cb 0.49 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1ure n ARG 126 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ure s ILE 127 N -0.87 3.42 -0.12 0.55 -1.09 -0.09 -2.03 121.20 120.97 1ure s ILE 127 Ca 0.29 0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 59.17 1ure s ILE 127 Cb 0.01 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1ure s ILE 127 CO -0.17 -0.09 0.05 -0.36 -1.23 0.00 0.00 174.94 173.14 1ure s PHE 128 N 4.71 3.28 -0.54 3.97 0.40 0.21 -0.81 117.98 129.20 1ure s PHE 128 Ca 0.79 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 57.36 1ure s PHE 128 Cb -0.34 -1.89 0.44 0.00 0.51 0.00 0.00 43.02 41.73 1ure s PHE 128 CO 0.33 0.45 1.65 1.63 0.70 0.00 0.00 175.22 179.98 1ure n LYS 129 N 2.45 3.09 -0.24 0.44 5.02 -1.24 -2.57 118.16 125.12 1ure n LYS 129 Ca -0.18 -3.75 0.00 0.00 -2.02 0.00 0.00 58.31 52.35 1ure n LYS 129 Cb 0.54 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 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 -0.75 -0.09 0.00 1.97 0.00 -1.25 -4.72 118.16 113.32 1ure n LYS 130 Ca 0.53 0.09 0.00 0.00 0.00 0.00 0.00 58.31 58.93 1ure n LYS 130 Cb 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49