#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 0.00 -1.26 0.00 3.72 -1.26 -4.89 117.46 113.77 1ure n PHE 2 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1ure n PHE 2 Cb 0.00 0.00 -0.18 0.00 -0.94 0.00 0.00 39.48 38.36 1ure n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ure n ASP 3 N 2.11 -1.06 0.00 4.37 9.92 -1.26 -4.65 116.55 125.97 1ure n ASP 3 Ca 0.00 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.87 1ure n ASP 3 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1ure n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ure n GLY 4 N 4.70 -2.13 3.90 0.44 0.00 -0.96 -5.01 105.19 106.13 1ure n GLY 4 Ca 0.57 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.37 4.99 0.01 2.61 -4.23 -1.26 -0.22 115.64 115.18 1ure s THR 5 Ca 0.00 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1ure s THR 5 Cb 0.00 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 1ure s THR 5 CO 0.00 -0.39 0.03 0.26 -0.54 0.00 0.00 174.62 173.98 1ure s TRP 6 N -2.17 0.18 -0.36 3.99 0.52 0.34 -0.24 118.94 121.20 1ure s TRP 6 Ca 0.45 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.23 1ure s TRP 6 Cb -0.11 -0.14 0.16 0.00 -1.15 0.00 0.00 33.47 32.24 1ure s TRP 6 CO 0.31 -0.22 0.45 0.21 0.02 0.00 0.00 176.95 177.73 1ure s LYS 7 N -1.40 0.62 0.16 4.98 2.36 -1.26 0.13 119.74 125.32 1ure s LYS 7 Ca -0.15 -0.39 -0.31 0.00 -2.55 0.00 0.00 55.97 52.56 1ure s LYS 7 Cb -0.09 -0.38 -0.17 0.00 -1.05 0.00 0.00 37.83 36.14 1ure s LYS 7 CO -0.00 -1.14 0.80 1.55 1.55 0.00 0.00 175.35 178.10 1ure n VAL 8 N 4.64 1.40 0.04 4.02 3.14 -1.14 -3.91 118.33 126.52 1ure n VAL 8 Ca 0.08 -0.35 -0.01 0.00 -2.96 0.00 0.00 64.34 61.10 1ure n VAL 8 Cb 0.49 -0.26 -0.00 0.00 -1.06 0.00 0.00 33.84 33.02 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 1.80 1.11 -4.46 6.55 2.03 -0.54 -4.84 116.55 118.21 1ure n ASP 9 Ca 0.17 0.15 -0.26 0.00 0.52 0.00 0.00 54.79 55.36 1ure n ASP 9 Cb 0.22 -0.35 -0.11 0.00 -0.72 0.00 0.00 41.12 40.16 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 -2.01 1.64 0.00 -0.67 1.70 -1.24 -5.04 118.95 113.34 1ure s ARG 10 Ca -0.02 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 53.72 1ure s ARG 10 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 1ure s ARG 10 CO 0.03 0.40 0.00 0.09 -1.08 0.00 0.00 175.30 174.74 1ure n ASN 11 N 0.10 1.89 -2.75 -2.89 4.13 -1.26 -1.08 115.26 113.41 1ure n ASN 11 Ca -0.11 -0.58 0.01 0.00 1.68 0.00 0.00 54.58 55.59 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 -0.70 0.28 0.00 0.00 177.26 176.84 1ure s GLU 12 N -0.73 0.15 0.00 3.52 2.56 0.36 -4.79 118.70 119.78 1ure s GLU 12 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.91 1ure s GLU 12 Cb 0.00 0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.15 1ure s GLU 12 CO 0.00 -0.22 0.00 -1.71 -0.56 0.00 0.00 175.26 172.77 1ure n ASN 13 N 3.59 0.00 0.26 -1.70 5.15 -1.26 -0.14 115.26 121.15 1ure n ASN 13 Ca 0.06 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.13 1ure n ASN 13 Cb 0.64 0.00 0.67 0.00 -0.53 0.00 0.00 39.78 40.56 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 0.00 -0.47 1.20 3.20 -1.78 -2.87 116.97 116.25 1ure h TYR 14 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1ure h TYR 14 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1ure h TYR 14 CO 0.00 0.08 -0.21 1.49 -1.64 0.00 0.00 178.16 177.89 1ure h GLU 15 N 0.00 0.97 0.00 1.82 4.57 -1.93 -3.07 114.58 116.94 1ure h GLU 15 Ca -0.00 -0.42 -0.10 0.00 -1.18 0.00 0.00 59.36 57.66 1ure h GLU 15 Cb 0.17 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1ure h GLU 15 CO 0.01 1.09 -0.49 -0.22 -1.18 0.00 0.00 179.01 178.22 1ure h LYS 16 N 0.82 0.00 0.00 1.92 3.64 -1.87 -3.19 116.57 117.89 1ure h LYS 16 Ca 0.11 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1ure h LYS 16 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1ure h LYS 16 CO 0.06 0.49 -0.23 0.35 -2.27 0.00 0.00 179.45 177.86 1ure h PHE 17 N 0.00 0.00 0.00 1.91 3.57 -1.41 -1.59 116.94 119.42 1ure h PHE 17 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1ure h PHE 17 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ure h PHE 17 CO 0.00 0.23 -0.44 0.52 -2.23 0.00 0.00 178.31 176.39 1ure h MET 18 N 0.00 0.00 0.00 1.11 2.86 -1.57 -2.67 114.93 114.66 1ure h MET 18 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ure h MET 18 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1ure h MET 18 CO 0.03 0.44 -0.02 1.49 1.06 0.00 0.00 176.91 179.90 1ure h GLU 19 N 0.00 0.00 0.02 1.72 4.81 -1.36 0.64 114.58 120.41 1ure h GLU 19 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ure h GLU 19 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.61 1ure h GLU 19 CO 0.06 0.02 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.93 1ure h LYS 20 N 0.00 0.11 0.00 1.92 3.11 -1.25 -3.26 116.57 117.20 1ure h LYS 20 Ca -0.00 -0.14 -0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1ure h LYS 20 Cb 0.74 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1ure h LYS 20 CO 0.00 0.97 -0.01 0.52 -2.81 0.00 0.00 179.45 178.12 1ure h MET 21 N -0.68 0.00 0.00 1.90 2.86 -1.41 -3.45 114.93 114.15 1ure h MET 21 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ure h MET 21 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1ure h MET 21 CO 0.04 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1ure n GLY 22 N -0.49 1.87 3.75 8.32 0.00 -0.99 -5.00 105.19 112.65 1ure n GLY 22 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 5.11 0.00 -0.61 -1.09 0.22 -5.01 121.20 117.81 1ure s ILE 23 Ca 0.00 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1ure s ILE 23 Cb 0.00 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1ure s ILE 23 CO 0.00 0.39 0.00 0.59 -1.23 0.00 0.00 174.94 174.69 1ure n ASN 24 N 3.16 0.00 0.00 3.58 5.03 -1.26 -4.01 115.26 121.75 1ure n ASN 24 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1ure n ASN 24 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1ure n ASN 24 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1ure n VAL 25 N -0.45 0.00 0.24 2.41 3.14 -1.26 -4.73 118.33 117.68 1ure n VAL 25 Ca 0.00 0.05 0.08 0.00 -2.96 0.00 0.00 64.34 61.51 1ure n VAL 25 Cb 0.00 -0.94 0.59 0.00 -1.06 0.00 0.00 33.84 32.43 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 0.96 -0.07 1.55 -1.51 -1.98 -2.48 116.25 112.71 1ure h VAL 26 Ca 0.00 -0.53 -0.18 0.00 -1.23 0.00 0.00 66.70 64.77 1ure h VAL 26 Cb 0.00 1.30 0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1ure h VAL 26 CO 0.00 0.14 -0.64 0.11 -1.23 0.00 0.00 177.57 175.95 1ure h LYS 27 N 0.00 0.57 0.00 5.19 1.79 -1.96 -0.25 116.57 121.91 1ure h LYS 27 Ca -0.00 -0.51 -0.07 0.00 -2.18 0.00 0.00 60.65 57.89 1ure h LYS 27 Cb 0.28 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1ure h LYS 27 CO 0.02 1.14 -0.32 0.07 -1.08 0.00 0.00 179.45 179.28 1ure h ARG 28 N 0.18 0.00 -0.06 3.15 0.11 -1.84 -2.15 114.38 113.76 1ure h ARG 28 Ca -0.06 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.78 1ure h ARG 28 Cb 1.30 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.40 1ure h ARG 28 CO 0.13 0.32 -0.93 -0.22 0.10 0.00 0.00 179.97 179.37 1ure h LYS 29 N 0.00 0.72 0.00 0.08 3.64 -1.46 -2.54 116.57 117.01 1ure h LYS 29 Ca -0.00 -0.69 -0.03 0.00 -1.27 0.00 0.00 60.65 58.66 1ure h LYS 29 Cb 1.16 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1ure h LYS 29 CO 0.04 1.28 -0.13 -0.07 -2.27 0.00 0.00 179.45 178.30 1ure h LEU 30 N 0.44 0.00 -0.04 5.20 -0.00 -1.00 -2.23 115.31 117.70 1ure h LEU 30 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.57 1ure h LEU 30 Cb 1.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.20 1ure h LEU 30 CO 0.18 0.13 -1.00 1.23 -0.00 0.00 0.00 178.44 178.98 1ure h GLY 31 N 2.80 0.05 0.15 0.83 0.00 -1.31 -2.81 103.07 102.78 1ure h GLY 31 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ure h GLY 31 CO 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 176.54 176.60 1ure h ALA 32 N 0.97 -0.15 0.00 3.60 0.00 -1.30 -3.31 119.26 119.06 1ure h ALA 32 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ure h ALA 32 Cb 1.75 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ure h ALA 32 CO 0.14 -0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.95 1ure n HIS 33 N -4.85 0.00 -0.42 0.00 -0.00 -0.85 -4.32 115.22 104.77 1ure n HIS 33 Ca -0.04 0.00 0.37 0.00 -0.00 0.00 0.00 57.72 58.04 1ure n HIS 33 Cb 0.16 -0.10 0.62 0.00 -0.00 0.00 0.00 29.99 30.67 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 -1.10 0.22 -0.00 0.41 5.75 -1.06 -4.83 116.55 115.93 1ure n ASP 34 Ca 0.16 1.34 -0.00 0.00 -0.01 0.00 0.00 54.79 56.28 1ure n ASP 34 Cb 0.12 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1ure n ASP 34 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ure n ASN 35 N -4.67 -2.75 -3.84 -1.12 4.13 -1.26 -2.34 115.26 103.41 1ure n ASN 35 Ca 0.38 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.39 1ure n ASN 35 Cb 1.43 -0.51 -0.17 0.00 -1.54 0.00 0.00 39.78 38.99 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ure n LEU 36 N -0.00 -0.74 -4.46 3.41 7.94 -1.26 -4.70 117.00 117.19 1ure n LEU 36 Ca -0.00 -0.25 -0.44 0.00 -1.11 0.00 0.00 56.01 54.21 1ure n LEU 36 Cb 0.07 -0.57 -0.06 0.00 0.53 0.00 0.00 43.42 43.39 1ure n LEU 36 CO 0.00 -1.02 0.41 -0.75 -1.11 0.00 0.00 177.39 174.92 1ure s LYS 37 N 6.57 3.16 -0.19 1.96 2.20 -1.26 -2.88 119.74 129.30 1ure s LYS 37 Ca 1.14 -0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 55.82 1ure s LYS 37 Cb -0.85 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 31.34 1ure s LYS 37 CO 0.46 -1.27 0.35 -1.17 -0.36 0.00 0.00 175.35 173.36 1ure s LEU 38 N 2.87 4.19 -0.84 5.43 2.96 0.34 -2.23 118.68 131.40 1ure s LEU 38 Ca 0.18 0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1ure s LEU 38 Cb -0.18 -2.44 0.21 0.00 0.50 0.00 0.00 46.19 44.28 1ure s LEU 38 CO 0.13 -0.00 0.72 -0.89 -1.32 0.00 0.00 176.35 174.99 1ure s THR 39 N 0.97 4.36 0.22 3.68 2.01 -1.01 0.13 115.64 126.00 1ure s THR 39 Ca 0.18 -3.57 -0.31 0.00 0.31 0.00 0.00 61.69 58.30 1ure s THR 39 Cb -0.14 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1ure s THR 39 CO 0.06 -1.04 1.53 -0.63 -0.69 0.00 0.00 174.62 173.85 1ure s ILE 40 N -0.98 2.52 -0.31 1.82 -1.09 0.70 -3.02 121.20 120.83 1ure s ILE 40 Ca 0.25 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1ure s ILE 40 Cb -0.10 -3.26 0.13 0.00 -1.58 0.00 0.00 42.46 37.64 1ure s ILE 40 CO -0.10 0.05 0.24 -0.89 -1.23 0.00 0.00 174.94 173.01 1ure s THR 41 N 0.48 -0.19 -0.06 2.92 2.01 -0.77 -2.27 115.64 117.76 1ure s THR 41 Ca 0.65 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 1ure s THR 41 Cb -0.44 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1ure s THR 41 CO 0.39 -0.67 0.57 -1.58 -0.69 0.00 0.00 174.62 172.65 1ure s GLN 42 N 1.91 4.35 -0.23 4.92 0.74 -1.26 -1.07 119.66 129.01 1ure s GLN 42 Ca 0.12 0.66 -0.13 0.00 0.05 0.00 0.00 55.36 56.05 1ure s GLN 42 Cb -0.16 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.45 1ure s GLN 42 CO -0.24 0.22 -0.32 -1.91 -0.55 0.00 0.00 175.29 172.49 1ure n GLU 43 N 3.33 0.52 0.01 1.67 2.13 -1.06 -5.01 120.64 122.23 1ure n GLU 43 Ca -0.06 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1ure n GLU 43 Cb 0.51 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.84 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 1.48 -1.91 0.02 8.31 0.00 -1.26 -4.94 105.19 106.90 1ure n GLY 44 Ca -0.41 0.52 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.31 1.63 -4.94 1.61 3.02 -1.26 -5.00 115.26 108.02 1ure n ASN 45 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1ure n ASN 45 Cb 0.00 1.45 -0.03 0.00 -0.61 0.00 0.00 39.78 40.59 1ure n ASN 45 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ure s LYS 46 N -2.84 3.47 -0.40 3.52 3.01 -1.26 -2.77 119.74 122.47 1ure s LYS 46 Ca -0.06 -0.51 0.02 0.00 -1.01 0.00 0.00 55.97 54.41 1ure s LYS 46 Cb 0.08 -2.88 0.13 0.00 -1.01 0.00 0.00 37.83 34.15 1ure s LYS 46 CO 0.60 0.43 0.20 -0.06 0.51 0.00 0.00 175.35 177.02 1ure s PHE 47 N -1.89 2.00 0.37 3.18 0.08 -1.26 -2.58 117.98 117.88 1ure s PHE 47 Ca 0.36 -2.29 -0.27 0.00 0.12 0.00 0.00 56.93 54.85 1ure s PHE 47 Cb -0.10 -1.90 -0.09 0.00 -0.57 0.00 0.00 43.02 40.36 1ure s PHE 47 CO 0.29 -0.81 1.28 0.95 -0.10 0.00 0.00 175.22 176.83 1ure s THR 48 N 0.68 2.76 -0.63 0.64 -4.23 -0.24 -3.08 115.64 111.54 1ure s THR 48 Ca 0.15 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.43 1ure s THR 48 Cb -0.23 -3.44 0.15 0.00 1.34 0.00 0.00 72.50 70.33 1ure s THR 48 CO -0.06 0.14 0.40 0.54 -0.54 0.00 0.00 174.62 175.10 1ure s VAL 49 N -1.22 2.67 0.43 2.29 0.11 -1.26 -1.85 120.40 121.58 1ure s VAL 49 Ca 0.53 -3.86 -0.25 0.00 -2.93 0.00 0.00 61.98 55.46 1ure s VAL 49 Cb -0.38 -2.79 -0.08 0.00 -1.53 0.00 0.00 36.38 31.60 1ure s VAL 49 CO 0.49 -0.94 1.37 -0.75 -3.33 0.00 0.00 175.10 171.94 1ure s LYS 50 N -0.97 3.79 -0.34 1.54 2.20 -1.17 -0.33 119.74 124.47 1ure s LYS 50 Ca 0.22 2.30 -0.01 0.00 -0.36 0.00 0.00 55.97 58.12 1ure s LYS 50 Cb -0.12 -2.68 0.12 0.00 -1.51 0.00 0.00 37.83 33.64 1ure s LYS 50 CO -0.11 -0.69 0.18 -2.00 -0.36 0.00 0.00 175.35 172.37 1ure s GLU 51 N -2.38 0.50 -1.28 4.03 2.12 -1.19 -2.40 118.70 118.10 1ure s GLU 51 Ca 0.60 -1.11 -0.05 0.00 0.36 0.00 0.00 54.97 54.77 1ure s GLU 51 Cb -0.41 -1.39 0.15 0.00 0.26 0.00 0.00 34.13 32.74 1ure s GLU 51 CO 0.53 -1.13 2.27 0.45 -0.54 0.00 0.00 175.26 176.83 1ure n SER 52 N 4.45 7.76 -4.09 -1.70 2.88 -0.95 -3.23 113.62 118.74 1ure n SER 52 Ca 0.05 -3.22 -0.21 0.00 -1.33 0.00 0.00 58.87 54.16 1ure n SER 52 Cb 0.39 -1.34 0.12 0.00 -0.75 0.00 0.00 64.21 62.63 1ure n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ure n SER 53 N 1.61 0.93 0.26 -3.46 3.41 -1.24 -4.00 113.62 111.12 1ure n SER 53 Ca 0.59 -1.86 0.09 0.00 -0.26 0.00 0.00 58.87 57.43 1ure n SER 53 Cb 0.26 -0.64 0.67 0.00 -0.26 0.00 0.00 64.21 64.23 1ure n SER 53 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ure h ASN 54 N -0.75 0.00 0.05 4.04 -0.00 -1.76 -3.07 115.58 114.09 1ure h ASN 54 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 55.99 1ure h ASN 54 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 1ure h ASN 54 CO 0.30 0.06 -0.02 -0.26 -0.00 0.00 0.00 177.43 177.51 1ure h PHE 55 N 0.00 -0.06 0.00 0.67 -1.00 -1.90 -3.49 116.94 111.16 1ure h PHE 55 Ca -0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ure h PHE 55 Cb 0.12 0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1ure h PHE 55 CO 0.00 0.45 0.00 -2.13 -1.61 0.00 0.00 178.31 175.02 1ure n ARG 56 N -4.87 0.00 -2.91 1.51 0.63 -1.16 -5.06 116.66 104.80 1ure n ARG 56 Ca -0.09 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.41 1ure n ARG 56 Cb 0.27 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.17 1ure n ARG 56 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1ure s ASN 57 N 0.00 6.80 -0.30 6.15 2.47 -1.24 -3.73 114.94 125.09 1ure s ASN 57 Ca 0.00 -2.39 0.01 0.00 0.42 0.00 0.00 52.86 50.90 1ure s ASN 57 Cb 0.00 -2.41 0.07 0.00 -1.45 0.00 0.00 41.25 37.46 1ure s ASN 57 CO 0.00 -0.96 -0.02 -0.51 -3.72 0.00 0.00 177.10 171.89 1ure s ILE 58 N 2.41 2.57 0.22 -5.21 1.10 -1.20 -4.94 121.20 116.15 1ure s ILE 58 Ca 0.38 -1.72 -0.30 0.00 -0.51 0.00 0.00 60.65 58.50 1ure s ILE 58 Cb -0.04 -2.59 -0.10 0.00 0.15 0.00 0.00 42.46 39.89 1ure s ILE 58 CO -0.05 -0.22 1.43 1.51 -2.11 0.00 0.00 174.94 175.50 1ure s ASP 59 N 1.19 6.70 -0.01 4.50 1.47 -1.26 -3.19 116.67 126.06 1ure s ASP 59 Ca -0.03 2.59 -0.01 0.00 1.18 0.00 0.00 52.55 56.29 1ure s ASP 59 Cb -0.20 -2.62 -0.00 0.00 -0.34 0.00 0.00 42.92 39.76 1ure s ASP 59 CO -0.04 -0.68 -0.01 0.58 0.68 0.00 0.00 175.17 175.69 1ure h VAL 60 N 3.67 0.00 -1.32 2.11 2.07 -1.01 -3.46 116.25 118.30 1ure h VAL 60 Ca -0.45 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ure h VAL 60 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ure h VAL 60 CO 0.80 0.00 -0.27 0.52 0.02 0.00 0.00 177.57 178.63 1ure n VAL 61 N -2.46 -2.94 -3.15 2.57 0.31 -1.25 -4.80 118.33 106.62 1ure n VAL 61 Ca -0.01 0.80 0.04 0.00 -0.01 0.00 0.00 64.34 65.16 1ure n VAL 61 Cb 0.02 -1.96 -0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ure s PHE 62 N -1.06 -1.86 0.24 3.52 -0.12 -1.18 -4.93 117.98 112.60 1ure s PHE 62 Ca 0.00 1.08 -0.30 0.00 -0.05 0.00 0.00 56.93 57.66 1ure s PHE 62 Cb 0.00 0.32 -0.15 0.00 -0.63 0.00 0.00 43.02 42.56 1ure s PHE 62 CO 0.00 -1.08 1.08 -1.91 -0.05 0.00 0.00 175.22 173.26 1ure n GLU 63 N 5.41 1.31 -1.73 1.99 2.13 -1.26 -4.04 120.64 124.45 1ure n GLU 63 Ca 0.05 0.46 -0.42 0.00 0.66 0.00 0.00 57.16 57.91 1ure n GLU 63 Cb 0.54 -1.89 -0.03 0.00 0.27 0.00 0.00 31.44 30.33 1ure n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ure s LEU 64 N 0.55 4.37 -1.60 4.31 1.02 -1.11 -1.90 118.68 124.31 1ure s LEU 64 Ca 0.65 2.85 0.00 0.00 0.02 0.00 0.00 54.13 57.65 1ure s LEU 64 Cb -0.76 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 41.86 1ure s LEU 64 CO 0.56 -0.97 0.00 0.61 0.02 0.00 0.00 176.35 176.57 1ure n GLY 65 N 3.99 0.28 3.29 -3.19 0.00 0.23 -4.98 105.19 104.81 1ure n GLY 65 Ca 0.16 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.80 4.83 0.12 1.61 1.01 -0.80 -4.95 120.40 119.41 1ure s VAL 66 Ca 0.00 -1.48 -0.32 0.00 0.00 0.00 0.00 61.98 60.18 1ure s VAL 66 Cb 0.00 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 1ure s VAL 66 CO 0.00 -0.74 1.76 -0.67 0.00 0.00 0.00 175.10 175.45 1ure n ASP 67 N 5.11 3.73 -2.46 3.32 2.03 -1.26 -4.65 116.55 122.37 1ure n ASP 67 Ca -0.12 1.02 -0.11 0.00 0.52 0.00 0.00 54.79 56.11 1ure n ASP 67 Cb 0.41 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.28 1ure n ASP 67 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1ure n PHE 68 N 4.97 0.00 -3.98 -0.67 3.01 -0.91 -4.90 117.46 114.99 1ure n PHE 68 Ca 0.18 -1.17 -0.29 0.00 1.01 0.00 0.00 57.45 57.17 1ure n PHE 68 Cb 0.34 0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 1ure n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ure s ALA 69 N -2.51 1.76 -0.18 4.37 0.00 -1.26 -2.08 121.76 121.86 1ure s ALA 69 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ure s ALA 69 Cb 0.01 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 22.08 1ure s ALA 69 CO 0.07 -0.52 -0.08 -0.47 0.00 0.00 0.00 175.76 174.76 1ure s TYR 70 N 1.52 2.05 0.27 0.00 5.04 -0.39 -4.97 117.35 120.88 1ure s TYR 70 Ca 0.03 -1.31 -0.27 0.00 -2.44 0.00 0.00 57.07 53.08 1ure s TYR 70 Cb -0.14 -1.48 -0.09 0.00 0.35 0.00 0.00 41.96 40.60 1ure s TYR 70 CO -0.09 -0.68 0.91 0.45 -1.34 0.00 0.00 175.55 174.80 1ure s SER 71 N 1.52 7.41 0.33 4.32 0.15 -1.26 -2.52 113.70 123.65 1ure s SER 71 Ca 0.00 1.81 0.03 0.00 0.70 0.00 0.00 55.95 58.50 1ure s SER 71 Cb -0.15 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1ure s SER 71 CO -0.08 0.04 0.37 0.18 1.20 0.00 0.00 173.24 174.95 1ure n LEU 72 N 0.96 0.00 -0.07 3.45 7.99 -0.72 -4.91 117.00 123.70 1ure n LEU 72 Ca -0.00 -1.04 -0.18 0.00 -0.01 0.00 0.00 56.01 54.78 1ure n LEU 72 Cb 0.49 -0.21 -0.13 0.00 -0.11 0.00 0.00 43.42 43.46 1ure n LEU 72 CO 0.46 -0.63 -0.04 0.00 -1.51 0.00 0.00 177.39 175.67 1ure h ALA 73 N 0.09 0.11 0.00 -1.18 0.00 -1.96 -3.36 119.26 112.96 1ure h ALA 73 Ca -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1ure h ALA 73 Cb 0.54 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ure h ALA 73 CO 0.16 0.36 -0.01 -3.47 0.00 0.00 0.00 179.25 176.29 1ure n ASP 74 N -4.47 0.03 0.09 0.00 2.03 -1.26 -4.69 116.55 108.28 1ure n ASP 74 Ca -0.20 -0.45 0.12 0.00 0.52 0.00 0.00 54.79 54.77 1ure n ASP 74 Cb 0.61 0.92 0.08 0.00 -0.72 0.00 0.00 41.12 42.00 1ure n ASP 74 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1ure h GLY 75 N 0.00 0.00 0.00 0.27 0.00 -1.95 -3.49 103.07 97.90 1ure h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ure h GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1ure n THR 76 N -2.42 0.00 -1.51 4.70 -2.24 -1.26 -4.77 114.28 106.78 1ure n THR 76 Ca 0.02 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 1ure n THR 76 Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.73 0.81 -3.21 -0.78 4.71 -1.26 -1.75 120.64 118.43 1ure n GLU 77 Ca 0.00 0.28 -0.01 0.00 -0.01 0.00 0.00 57.16 57.42 1ure n GLU 77 Cb 0.00 -1.52 -0.02 0.00 -1.01 0.00 0.00 31.44 28.88 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ure s LEU 78 N 1.46 -1.28 -0.11 -4.62 2.96 -1.05 -4.55 118.68 111.48 1ure s LEU 78 Ca 0.61 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1ure s LEU 78 Cb -0.76 1.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.57 1ure s LEU 78 CO 0.58 -0.32 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.36 1ure s THR 79 N 2.72 3.91 -1.60 3.68 2.01 0.99 -1.26 115.64 126.09 1ure s THR 79 Ca 0.10 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1ure s THR 79 Cb -0.11 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1ure s THR 79 CO -0.27 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1ure n GLY 80 N 2.81 -1.14 3.32 4.40 0.00 -0.88 0.13 105.19 113.83 1ure n GLY 80 Ca -0.18 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.00 0.15 0.00 2.61 -4.23 0.36 -2.13 115.64 109.40 1ure s THR 81 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1ure s THR 81 Cb 0.00 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 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 -3.52 1.40 -0.04 3.99 0.52 -1.26 0.05 118.94 120.08 1ure s TRP 82 Ca 0.37 -0.29 -0.03 0.00 0.02 0.00 0.00 56.10 56.17 1ure s TRP 82 Cb 0.03 -0.88 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 1ure s TRP 82 CO 0.22 -0.00 0.11 -0.08 0.02 0.00 0.00 176.95 177.21 1ure s THR 83 N -0.49 -0.01 -0.58 2.01 -1.32 -0.99 0.74 115.64 115.00 1ure s THR 83 Ca 0.05 0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.30 1ure s THR 83 Cb -0.07 -0.16 0.04 0.00 -1.51 0.00 0.00 72.50 70.80 1ure s THR 83 CO -0.00 0.01 1.07 -0.32 -2.21 0.00 0.00 174.62 173.17 1ure s MET 84 N 0.20 3.38 0.54 7.08 1.75 -1.26 -1.44 119.30 129.56 1ure s MET 84 Ca -0.01 -0.08 0.24 0.00 -1.25 0.00 0.00 55.69 54.58 1ure s MET 84 Cb -0.02 -4.05 1.44 0.00 2.84 0.00 0.00 34.83 35.03 1ure s MET 84 CO -0.01 -1.63 2.07 0.93 -0.65 0.00 0.00 175.02 175.74 1ure h GLU 85 N 9.47 0.00 0.00 4.11 5.08 -0.38 -3.45 114.58 129.41 1ure h GLU 85 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ure h GLU 85 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ure h GLU 85 CO 1.15 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 1ure n GLY 86 N -1.55 4.15 0.00 -3.84 0.00 -1.26 -4.86 105.19 97.84 1ure n GLY 86 Ca 0.04 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1ure n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ure n ASN 87 N 0.00 3.09 -4.06 1.61 5.15 -1.26 -5.03 115.26 114.76 1ure n ASN 87 Ca 0.00 -0.05 -0.12 0.00 -0.60 0.00 0.00 54.58 53.81 1ure n ASN 87 Cb 0.00 1.31 -0.11 0.00 -0.53 0.00 0.00 39.78 40.45 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ure s LYS 88 N -2.45 0.52 -0.19 1.20 1.02 -1.26 -4.69 119.74 113.89 1ure s LYS 88 Ca -0.02 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.05 1ure s LYS 88 Cb 0.05 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.13 1ure s LYS 88 CO 0.30 0.02 0.19 -1.17 -0.92 0.00 0.00 175.35 173.77 1ure s LEU 89 N -1.76 4.21 -0.22 3.17 2.96 -1.18 0.44 118.68 126.30 1ure s LEU 89 Ca -0.08 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1ure s LEU 89 Cb -0.08 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.47 1ure s LEU 89 CO -0.01 0.14 -0.15 0.68 -1.32 0.00 0.00 176.35 175.69 1ure s VAL 90 N 0.46 2.09 -0.94 1.68 -7.23 -0.52 -0.88 120.40 115.07 1ure s VAL 90 Ca 0.11 -1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 58.77 1ure s VAL 90 Cb -0.12 -2.06 0.08 0.00 0.56 0.00 0.00 36.38 34.84 1ure s VAL 90 CO 0.00 0.24 1.28 -0.83 -0.31 0.00 0.00 175.10 175.48 1ure s GLY 91 N 1.20 1.49 -0.20 2.32 0.00 0.90 -2.35 107.32 110.68 1ure s GLY 91 Ca -0.02 -2.35 -0.18 0.00 0.00 0.00 0.00 44.72 42.17 1ure s GLY 91 CO -0.09 2.39 0.49 0.54 0.00 0.00 0.00 173.10 176.43 1ure s LYS 92 N 4.11 4.18 -0.20 2.90 -0.14 0.11 0.53 119.74 131.23 1ure s LYS 92 Ca 0.38 0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 55.32 1ure s LYS 92 Cb -0.04 -3.56 0.06 0.00 -1.68 0.00 0.00 37.83 32.62 1ure s LYS 92 CO -0.06 -0.13 0.06 -0.06 -0.76 0.00 0.00 175.35 174.40 1ure s PHE 93 N 1.57 0.79 0.26 3.18 0.08 0.15 -0.48 117.98 123.53 1ure s PHE 93 Ca 0.23 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 1ure s PHE 93 Cb -0.15 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.39 1ure s PHE 93 CO 0.09 -0.61 0.36 1.63 -0.10 0.00 0.00 175.22 176.60 1ure n LYS 94 N 5.11 0.16 -4.17 0.44 4.01 0.36 -1.26 118.16 122.81 1ure n LYS 94 Ca -0.08 -0.84 -0.17 0.00 -0.51 0.00 0.00 58.31 56.71 1ure n LYS 94 Cb 0.47 -0.28 -0.12 0.00 -0.51 0.00 0.00 35.03 34.59 1ure n LYS 94 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1ure s ARG 95 N -3.47 0.82 0.06 1.97 3.52 -1.26 -0.00 118.95 120.59 1ure s ARG 95 Ca 0.23 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1ure s ARG 95 Cb -0.01 -0.72 -0.26 0.00 -1.56 0.00 0.00 34.95 32.40 1ure s ARG 95 CO 0.15 0.15 1.06 -0.39 -0.81 0.00 0.00 175.30 175.45 1ure h VAL 96 N 4.04 1.40 0.00 7.11 -1.51 -1.94 -0.65 116.25 124.70 1ure h VAL 96 Ca -0.39 -3.05 0.00 0.00 -1.23 0.00 0.00 66.70 62.03 1ure h VAL 96 Cb 1.19 2.83 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 1ure h VAL 96 CO 0.44 0.86 0.00 -0.67 -1.23 0.00 0.00 177.57 176.98 1ure n ASP 97 N -3.43 0.02 0.00 4.19 -0.08 -1.26 -4.32 116.55 111.68 1ure n ASP 97 Ca -0.09 -1.41 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1ure n ASP 97 Cb 1.01 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.46 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1ure n ASN 98 N -0.48 0.00 -1.08 1.67 6.94 -1.25 -5.06 115.26 116.00 1ure n ASN 98 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1ure n ASN 98 Cb 0.01 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.60 0.64 0.00 4.83 0.00 -0.25 -5.03 105.19 104.79 1ure n GLY 99 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.29 0.00 0.00 1.61 5.02 -1.26 -4.85 118.16 117.39 1ure n LYS 100 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ure n LYS 100 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1ure n LYS 100 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ure n GLU 101 N 0.00 0.00 -4.18 1.97 2.13 -1.26 -4.71 120.64 114.59 1ure n GLU 101 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1ure n GLU 101 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ure s LEU 102 N 0.00 2.32 0.34 4.31 0.20 -0.39 -4.33 118.68 121.14 1ure s LEU 102 Ca 0.00 -0.68 0.03 0.00 0.69 0.00 0.00 54.13 54.18 1ure s LEU 102 Cb 0.00 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.26 1ure s LEU 102 CO 0.00 -0.13 0.13 -0.51 -0.29 0.00 0.00 176.35 175.55 1ure s ILE 103 N -1.62 0.59 -0.27 6.68 2.07 0.31 0.33 121.20 129.29 1ure s ILE 103 Ca 0.00 -2.00 -0.03 0.00 -1.41 0.00 0.00 60.65 57.22 1ure s ILE 103 Cb -0.08 -2.51 0.16 0.00 0.13 0.00 0.00 42.46 40.16 1ure s ILE 103 CO 0.02 0.00 0.50 0.00 -1.91 0.00 0.00 174.94 173.55 1ure s ALA 104 N -3.41 -1.71 -0.40 1.50 0.00 0.19 -2.24 121.76 115.69 1ure s ALA 104 Ca 0.32 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1ure s ALA 104 Cb 0.05 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.29 1ure s ALA 104 CO 0.16 -1.24 0.45 0.08 0.00 0.00 0.00 175.76 175.21 1ure s VAL 105 N 2.72 5.07 -0.80 0.00 1.01 -1.20 -0.07 120.40 127.13 1ure s VAL 105 Ca 0.15 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 1ure s VAL 105 Cb -0.15 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1ure s VAL 105 CO -0.18 -0.35 0.97 -0.13 0.00 0.00 0.00 175.10 175.41 1ure s ARG 106 N 2.21 3.39 -1.18 2.72 0.52 -0.06 -0.44 118.95 126.11 1ure s ARG 106 Ca 0.14 -1.55 -0.09 0.00 -0.52 0.00 0.00 55.73 53.71 1ure s ARG 106 Cb -0.16 -4.60 0.22 0.00 0.52 0.00 0.00 34.95 30.93 1ure s ARG 106 CO 0.14 -1.69 1.51 -1.91 0.02 0.00 0.00 175.30 173.36 1ure n GLU 107 N 6.50 3.73 -1.77 3.54 2.13 0.16 -3.11 120.64 131.83 1ure n GLU 107 Ca 0.10 -4.04 -0.42 0.00 0.66 0.00 0.00 57.16 53.46 1ure n GLU 107 Cb 0.47 -2.79 -0.03 0.00 0.27 0.00 0.00 31.44 29.36 1ure n GLU 107 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ure s ILE 108 N -0.34 2.27 -0.06 6.31 -1.09 -1.26 -3.66 121.20 123.37 1ure s ILE 108 Ca 0.37 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1ure s ILE 108 Cb 0.01 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 1ure s ILE 108 CO 0.01 0.01 -0.06 -1.28 -1.23 0.00 0.00 174.94 172.39 1ure h SER 109 N 7.26 0.00 0.00 3.58 0.87 -1.48 -3.49 113.55 120.30 1ure h SER 109 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1ure h SER 109 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ure h SER 109 CO 0.95 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 1ure n GLY 110 N 1.75 -1.74 0.06 5.77 0.00 -1.26 -4.95 105.19 104.82 1ure n GLY 110 Ca -0.02 0.48 0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.04 1.03 -4.08 1.61 4.13 -1.26 -4.94 115.26 108.71 1ure n ASN 111 Ca 0.00 -1.01 -0.26 0.00 1.68 0.00 0.00 54.58 54.99 1ure n ASN 111 Cb 0.00 0.93 -0.16 0.00 -1.54 0.00 0.00 39.78 39.01 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 -2.74 1.87 -0.29 3.52 2.02 -1.26 -2.94 118.70 118.89 1ure s GLU 112 Ca 0.08 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 1ure s GLU 112 Cb 0.15 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 1ure s GLU 112 CO 0.75 0.11 0.12 -1.17 0.02 0.00 0.00 175.26 175.09 1ure s LEU 113 N 0.42 3.86 -0.17 1.80 0.20 -1.03 -1.02 118.68 122.74 1ure s LEU 113 Ca -0.12 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.22 1ure s LEU 113 Cb -0.15 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1ure s LEU 113 CO 0.04 -0.14 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.31 1ure s ILE 114 N 1.60 4.01 -0.34 6.68 1.09 -1.24 -1.50 121.20 131.50 1ure s ILE 114 Ca 0.05 -0.31 -0.02 0.00 -1.10 0.00 0.00 60.65 59.27 1ure s ILE 114 Cb -0.16 -2.78 0.07 0.00 -1.06 0.00 0.00 42.46 38.53 1ure s ILE 114 CO 0.05 0.47 0.08 -1.10 -0.10 0.00 0.00 174.94 174.34 1ure s GLN 115 N 0.55 2.23 1.00 2.79 -0.21 -1.13 0.38 119.66 125.27 1ure s GLN 115 Ca -0.02 -1.49 -0.17 0.00 0.02 0.00 0.00 55.36 53.70 1ure s GLN 115 Cb -0.14 -3.33 0.24 0.00 1.00 0.00 0.00 33.01 30.78 1ure s GLN 115 CO 0.02 -0.80 1.13 0.25 -2.12 0.00 0.00 175.29 173.77 1ure n THR 116 N 4.59 0.00 -3.22 -0.19 -2.24 0.42 -2.37 114.28 111.27 1ure n THR 116 Ca -0.08 -0.70 0.04 0.00 -2.27 0.00 0.00 64.05 61.03 1ure n THR 116 Cb 0.43 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.23 1ure n THR 116 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ure s TYR 117 N -3.31 -1.09 -0.09 4.78 2.02 -1.03 -3.25 117.35 115.38 1ure s TYR 117 Ca 0.68 1.30 0.03 0.00 -0.37 0.00 0.00 57.07 58.71 1ure s TYR 117 Cb -0.04 0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.96 1ure s TYR 117 CO 0.49 -0.59 -0.20 0.99 -1.57 0.00 0.00 175.55 174.67 1ure s THR 118 N 2.84 1.77 -0.83 -0.71 2.01 -0.95 -2.03 115.64 117.75 1ure s THR 118 Ca 0.08 -0.84 0.14 0.00 0.31 0.00 0.00 61.69 61.37 1ure s THR 118 Cb -0.12 -1.55 0.42 0.00 0.01 0.00 0.00 72.50 71.26 1ure s THR 118 CO -0.17 0.50 1.35 0.00 -0.69 0.00 0.00 174.62 175.61 1ure n TYR 119 N 3.69 0.72 0.00 4.92 9.36 -1.26 0.12 117.16 134.70 1ure n TYR 119 Ca -0.20 -0.60 0.00 0.00 3.32 0.00 0.00 57.90 60.42 1ure n TYR 119 Cb 0.52 -0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.40 0.00 -0.57 2.98 1.02 -1.26 -4.67 120.64 118.54 1ure n GLU 120 Ca 0.16 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.36 1ure n GLU 120 Cb 0.60 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.12 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 0.00 3.16 2.73 0.62 0.00 -1.26 -4.99 105.19 105.45 1ure n GLY 121 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.73 0.73 0.82 1.61 1.01 -1.26 -5.13 120.40 116.45 1ure s VAL 122 Ca 0.26 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1ure s VAL 122 Cb 0.25 -1.41 0.10 0.00 0.00 0.00 0.00 36.38 35.32 1ure s VAL 122 CO -0.04 -0.48 1.17 -1.61 0.00 0.00 0.00 175.10 174.14 1ure s GLU 123 N 1.72 1.76 -0.32 2.72 2.02 -1.25 -4.02 118.70 121.34 1ure s GLU 123 Ca 0.05 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.01 1ure s GLU 123 Cb -0.17 -1.98 0.19 0.00 0.10 0.00 0.00 34.13 32.27 1ure s GLU 123 CO -0.19 -1.68 0.68 0.00 0.02 0.00 0.00 175.26 174.09 1ure s ALA 124 N -3.57 -2.71 0.02 5.21 0.00 -0.86 -4.20 121.76 115.65 1ure s ALA 124 Ca 0.64 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 53.25 1ure s ALA 124 Cb -0.10 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1ure s ALA 124 CO 0.49 -1.99 0.81 0.15 0.00 0.00 0.00 175.76 175.21 1ure s LYS 125 N 2.57 4.52 -0.68 0.00 3.01 0.80 -2.46 119.74 127.49 1ure s LYS 125 Ca 0.14 1.12 0.05 0.00 -1.01 0.00 0.00 55.97 56.27 1ure s LYS 125 Cb -0.07 -3.40 0.16 0.00 -1.01 0.00 0.00 37.83 33.52 1ure s LYS 125 CO -0.20 0.18 0.47 1.03 0.51 0.00 0.00 175.35 177.33 1ure s ARG 126 N 0.29 2.41 0.10 1.68 0.52 -1.00 0.14 118.95 123.09 1ure s ARG 126 Ca 0.41 -3.26 -0.31 0.00 -0.52 0.00 0.00 55.73 52.05 1ure s ARG 126 Cb -0.20 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 1ure s ARG 126 CO 0.23 -1.26 1.66 0.42 0.02 0.00 0.00 175.30 176.37 1ure s ILE 127 N -1.31 2.85 -0.06 1.52 -1.09 -0.24 -2.82 121.20 120.04 1ure s ILE 127 Ca 0.24 0.41 0.02 0.00 -2.23 0.00 0.00 60.65 59.09 1ure s ILE 127 Cb -0.07 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1ure s ILE 127 CO -0.14 0.01 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.10 1ure s PHE 128 N 2.28 2.80 -1.08 3.97 0.08 -0.56 -1.47 117.98 124.00 1ure s PHE 128 Ca 0.74 -0.11 0.17 0.00 0.12 0.00 0.00 56.93 57.85 1ure s PHE 128 Cb -0.42 -1.67 0.60 0.00 -0.57 0.00 0.00 43.02 40.96 1ure s PHE 128 CO 0.33 0.22 1.51 1.63 -0.10 0.00 0.00 175.22 178.81 1ure n LYS 129 N 2.34 3.31 -2.73 0.44 4.76 -1.25 -2.47 118.16 122.56 1ure n LYS 129 Ca -0.17 -2.67 -0.04 0.00 -2.87 0.00 0.00 58.31 52.56 1ure n LYS 129 Cb 0.52 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 1ure n LYS 129 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ure n LYS 130 N 0.85 -3.70 0.00 1.97 4.81 -1.15 -4.72 118.16 116.22 1ure n LYS 130 Ca 0.22 2.88 0.00 0.00 -0.87 0.00 0.00 58.31 60.54 1ure n LYS 130 Cb 0.75 -4.30 0.00 0.00 0.02 0.00 0.00 35.03 31.51 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66