#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 -3.10 0.00 -1.74 -1.26 -4.69 117.46 106.67 1ure n PHE 2 Ca 0.00 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.93 1ure n PHE 2 Cb 0.00 -0.38 -0.00 0.00 1.52 0.00 0.00 39.48 40.62 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ure s ASP 3 N 0.09 -1.01 0.00 5.98 2.15 -1.26 -4.74 116.67 117.88 1ure s ASP 3 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.91 1ure s ASP 3 Cb 0.00 1.52 0.00 0.00 -0.30 0.00 0.00 42.92 44.14 1ure s ASP 3 CO 0.00 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1ure n GLY 4 N 4.90 0.61 3.89 2.66 0.00 0.20 -4.99 105.19 112.45 1ure n GLY 4 Ca 0.08 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.75 4.93 -0.27 2.61 -4.23 -1.26 0.14 115.64 113.81 1ure s THR 5 Ca 0.00 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1ure s THR 5 Cb 0.00 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.25 1ure s THR 5 CO 0.00 -0.43 0.42 0.26 -0.54 0.00 0.00 174.62 174.33 1ure s TRP 6 N -2.23 -1.01 -0.46 3.99 0.52 0.31 -1.19 118.94 118.87 1ure s TRP 6 Ca 0.47 0.68 -0.10 0.00 0.02 0.00 0.00 56.10 57.17 1ure s TRP 6 Cb -0.10 -0.00 0.10 0.00 -1.15 0.00 0.00 33.47 32.32 1ure s TRP 6 CO 0.31 -0.87 0.33 0.21 0.02 0.00 0.00 176.95 176.96 1ure s LYS 7 N 2.58 2.57 0.38 4.98 2.20 -1.26 0.14 119.74 131.34 1ure s LYS 7 Ca 0.12 -1.64 -0.24 0.00 -0.36 0.00 0.00 55.97 53.85 1ure s LYS 7 Cb -0.14 -3.91 -0.13 0.00 -1.51 0.00 0.00 37.83 32.14 1ure s LYS 7 CO -0.23 -1.12 0.59 1.55 -0.36 0.00 0.00 175.35 175.78 1ure n VAL 8 N 4.95 1.77 0.00 4.02 3.14 -0.78 -3.65 118.33 127.78 1ure n VAL 8 Ca -0.09 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1ure n VAL 8 Cb 0.42 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 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 1.39 0.00 0.00 6.55 2.03 -1.04 -4.77 116.55 120.71 1ure n ASP 9 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1ure n ASP 9 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1ure n ASP 9 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ure n ARG 10 N -0.52 0.00 -0.24 -0.67 5.12 -1.03 -5.03 116.66 114.29 1ure n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ure n ARG 10 Cb 0.00 -0.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1ure n ASN 11 N -0.59 -1.52 0.00 0.55 4.13 -1.25 -4.93 115.26 111.64 1ure n ASN 11 Ca 0.00 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1ure n ASN 11 Cb 0.00 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 -1.47 0.00 -0.82 3.52 4.07 0.41 -4.88 120.64 121.47 1ure n GLU 12 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1ure n GLU 12 Cb 0.05 -0.02 0.20 0.00 -0.06 0.00 0.00 31.44 31.62 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 -2.55 2.58 0.16 4.31 5.15 -1.26 -4.73 115.26 118.93 1ure n ASN 13 Ca 0.00 -3.74 0.02 0.00 -0.60 0.00 0.00 54.58 50.26 1ure n ASN 13 Cb 0.00 -0.64 0.23 0.00 -0.53 0.00 0.00 39.78 38.84 1ure n ASN 13 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1ure h TYR 14 N 1.04 0.00 -0.06 1.20 -1.99 -1.80 -2.84 116.97 112.51 1ure h TYR 14 Ca 0.23 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.76 1ure h TYR 14 Cb 1.71 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.45 1ure h TYR 14 CO 1.05 0.51 -0.82 1.49 -0.00 0.00 0.00 178.16 180.38 1ure h GLU 15 N 0.00 0.50 -0.06 4.88 4.81 -1.84 -3.22 114.58 119.65 1ure h GLU 15 Ca -0.01 -0.45 -0.14 0.00 -0.13 0.00 0.00 59.36 58.63 1ure h GLU 15 Cb 1.05 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1ure h GLU 15 CO 0.07 1.09 -0.59 -0.22 -0.73 0.00 0.00 179.01 178.62 1ure h LYS 16 N 0.32 0.19 0.00 1.92 1.63 -1.92 -2.99 116.57 115.71 1ure h LYS 16 Ca -0.06 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 1ure h LYS 16 Cb 1.43 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.07 1ure h LYS 16 CO 0.15 0.72 -0.23 0.35 -3.45 0.00 0.00 179.45 176.99 1ure h PHE 17 N 0.14 0.00 0.04 1.91 3.57 -1.52 -2.41 116.94 118.67 1ure h PHE 17 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 1ure h PHE 17 Cb 1.08 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1ure h PHE 17 CO 0.02 0.23 -1.01 0.52 -2.23 0.00 0.00 178.31 175.83 1ure h MET 18 N 0.00 0.31 -0.08 1.11 2.86 -1.54 -2.50 114.93 115.08 1ure h MET 18 Ca -0.00 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.20 1ure h MET 18 Cb 0.72 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1ure h MET 18 CO 0.03 1.10 -0.24 1.49 1.06 0.00 0.00 176.91 180.35 1ure h GLU 19 N 0.15 0.13 0.01 1.72 4.81 -1.30 0.50 114.58 120.60 1ure h GLU 19 Ca -0.08 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 1ure h GLU 19 Cb 1.68 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1ure h GLU 19 CO 0.17 0.36 -0.88 -0.22 -0.73 0.00 0.00 179.01 177.71 1ure h LYS 20 N 0.12 0.06 0.00 1.92 1.63 -1.47 -3.06 116.57 115.77 1ure h LYS 20 Ca 0.02 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1ure h LYS 20 Cb 0.49 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1ure h LYS 20 CO 0.03 0.90 -0.09 0.52 -3.45 0.00 0.00 179.45 177.36 1ure h MET 21 N 0.03 0.00 0.00 1.90 2.86 -0.94 -3.47 114.93 115.32 1ure h MET 21 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ure h MET 21 Cb 1.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1ure h MET 21 CO 0.12 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1ure n GLY 22 N 0.77 0.77 3.59 8.32 0.00 -0.71 -5.01 105.19 112.92 1ure n GLY 22 Ca 0.03 0.00 -0.42 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 -1.70 3.95 -0.19 -0.61 1.01 0.17 -4.83 121.20 119.00 1ure s ILE 23 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.56 1ure s ILE 23 Cb 0.00 -4.50 0.02 0.00 0.01 0.00 0.00 42.46 37.99 1ure s ILE 23 CO 0.00 -1.10 0.62 -3.20 0.00 0.00 0.00 174.94 171.26 1ure n ASN 24 N 8.79 1.28 0.00 3.58 2.85 -1.26 -3.59 115.26 126.90 1ure n ASN 24 Ca 0.12 -1.21 0.00 0.00 -0.11 0.00 0.00 54.58 53.39 1ure n ASN 24 Cb 0.49 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1ure n VAL 25 N 0.02 0.00 0.25 3.44 0.31 -1.26 -5.00 118.33 116.09 1ure n VAL 25 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.48 1ure n VAL 25 Cb 0.08 0.00 0.51 0.00 -0.91 0.00 0.00 33.84 33.52 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1ure h VAL 26 N 0.00 0.16 -0.07 2.52 -1.51 -2.00 -3.25 116.25 112.10 1ure h VAL 26 Ca 0.00 -0.81 -0.02 0.00 -1.23 0.00 0.00 66.70 64.64 1ure h VAL 26 Cb 0.00 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1ure h VAL 26 CO 0.00 0.07 -0.06 0.11 -1.23 0.00 0.00 177.57 176.45 1ure h LYS 27 N 0.00 0.10 0.00 5.19 1.57 -1.95 0.30 116.57 121.78 1ure h LYS 27 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ure h LYS 27 Cb 0.69 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ure h LYS 27 CO 0.01 0.17 -0.09 0.07 -0.57 0.00 0.00 179.45 179.04 1ure h ARG 28 N 0.10 0.00 0.06 3.15 0.11 -1.83 0.33 114.38 116.31 1ure h ARG 28 Ca 0.02 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.00 1ure h ARG 28 Cb 0.18 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.27 1ure h ARG 28 CO 0.01 0.09 -0.46 -0.22 0.10 0.00 0.00 179.97 179.49 1ure h LYS 29 N 0.00 0.20 0.00 0.08 3.64 -1.38 -3.19 116.57 115.92 1ure h LYS 29 Ca -0.00 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1ure h LYS 29 Cb 1.02 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1ure h LYS 29 CO 0.01 1.10 -0.18 -0.07 -2.27 0.00 0.00 179.45 178.04 1ure h LEU 30 N -0.56 0.00 -0.85 5.20 4.07 -0.45 -2.69 115.31 120.03 1ure h LEU 30 Ca -0.08 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.77 1ure h LEU 30 Cb 1.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 1ure h LEU 30 CO 0.09 0.18 -0.38 1.23 -1.08 0.00 0.00 178.44 178.48 1ure h GLY 31 N 2.51 0.43 1.64 0.83 0.00 -0.97 0.75 103.07 108.26 1ure h GLY 31 Ca -0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 47.33 46.66 1ure h GLY 31 CO 0.02 0.36 -1.23 0.00 0.00 0.00 0.00 176.54 175.70 1ure h ALA 32 N 1.27 0.11 -0.91 3.60 0.00 -1.52 -3.35 119.26 118.45 1ure h ALA 32 Ca 0.03 -0.88 -0.57 0.00 0.00 0.00 0.00 54.91 53.50 1ure h ALA 32 Cb 0.81 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.19 1ure h ALA 32 CO 0.07 0.97 -0.66 0.72 0.00 0.00 0.00 179.25 180.34 1ure n HIS 33 N -3.54 2.91 0.23 0.00 -0.00 -1.02 -4.87 115.22 108.93 1ure n HIS 33 Ca -0.08 -2.44 0.11 0.00 -0.00 0.00 0.00 57.72 55.30 1ure n HIS 33 Cb 1.02 -0.38 0.48 0.00 -0.00 0.00 0.00 29.99 31.11 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ure h ASP 34 N 2.26 0.00 0.00 0.41 3.04 0.37 -3.45 116.42 119.05 1ure h ASP 34 Ca 0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.17 1ure h ASP 34 Cb 1.35 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.64 1ure h ASP 34 CO 0.84 0.20 0.00 0.59 -2.04 0.00 0.00 179.24 178.83 1ure n ASN 35 N -3.37 -2.99 -4.57 4.15 5.03 -1.26 -2.18 115.26 110.07 1ure n ASN 35 Ca 0.00 0.00 -0.63 0.00 0.87 0.00 0.00 54.58 54.82 1ure n ASN 35 Cb 0.42 -0.73 -0.10 0.00 -1.02 0.00 0.00 39.78 38.34 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ure n LEU 36 N 0.00 1.29 -4.08 3.41 0.00 -1.26 -4.77 117.00 111.60 1ure n LEU 36 Ca 0.00 0.97 -0.35 0.00 0.00 0.00 0.00 56.01 56.63 1ure n LEU 36 Cb 0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 43.42 42.41 1ure n LEU 36 CO 0.00 -0.75 -0.03 -0.75 0.00 0.00 0.00 177.39 175.85 1ure s LYS 37 N 4.20 2.37 -0.31 1.96 2.20 -1.25 -1.87 119.74 127.03 1ure s LYS 37 Ca 1.09 -2.42 -0.29 0.00 -0.36 0.00 0.00 55.97 53.99 1ure s LYS 37 Cb -1.40 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 31.28 1ure s LYS 37 CO 0.73 -1.14 1.35 -1.17 -0.36 0.00 0.00 175.35 174.75 1ure s LEU 38 N 0.11 3.83 -1.04 5.43 2.96 0.38 -3.42 118.68 126.93 1ure s LEU 38 Ca 0.15 1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 55.10 1ure s LEU 38 Cb -0.21 -3.54 0.20 0.00 0.50 0.00 0.00 46.19 43.14 1ure s LEU 38 CO -0.03 -1.16 1.13 -0.89 -1.32 0.00 0.00 176.35 174.08 1ure s THR 39 N 4.64 5.38 -0.22 3.68 2.01 0.10 -0.53 115.64 130.70 1ure s THR 39 Ca 0.58 -2.60 -0.29 0.00 0.31 0.00 0.00 61.69 59.69 1ure s THR 39 Cb -0.17 -4.70 -0.02 0.00 0.01 0.00 0.00 72.50 67.62 1ure s THR 39 CO 0.25 -1.34 1.49 -0.63 -0.69 0.00 0.00 174.62 173.70 1ure s ILE 40 N 0.69 3.88 -0.25 1.82 1.01 0.38 -1.99 121.20 126.74 1ure s ILE 40 Ca 0.32 1.01 -0.05 0.00 0.00 0.00 0.00 60.65 61.92 1ure s ILE 40 Cb -0.07 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ure s ILE 40 CO -0.06 -0.30 0.01 -0.89 0.00 0.00 0.00 174.94 173.70 1ure s THR 41 N 4.64 3.63 -0.20 2.92 2.01 -1.26 0.59 115.64 127.98 1ure s THR 41 Ca 0.65 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 1ure s THR 41 Cb -0.23 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1ure s THR 41 CO 0.26 0.29 0.39 -1.58 -0.69 0.00 0.00 174.62 173.29 1ure s GLN 42 N 1.49 4.18 -0.45 4.92 2.00 -1.26 -2.71 119.66 127.83 1ure s GLN 42 Ca 0.04 0.20 0.08 0.00 -2.00 0.00 0.00 55.36 53.68 1ure s GLN 42 Cb -0.15 -3.53 0.27 0.00 0.80 0.00 0.00 33.01 30.39 1ure s GLN 42 CO -0.01 -0.02 0.61 0.39 -0.50 0.00 0.00 175.29 175.77 1ure n GLU 43 N 4.41 1.22 0.00 1.67 -0.58 -1.06 -4.94 120.64 121.36 1ure n GLU 43 Ca -0.09 -3.61 0.00 0.00 -0.42 0.00 0.00 57.16 53.05 1ure n GLU 43 Cb 0.51 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 44 N 1.08 2.30 0.00 0.62 0.00 -1.26 -2.85 105.19 105.08 1ure n GLY 44 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ure n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ure n ASN 45 N 4.55 2.06 -4.55 1.61 6.94 -1.26 -5.04 115.26 119.57 1ure n ASN 45 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 54.58 54.11 1ure n ASN 45 Cb 0.00 0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.46 1ure n ASN 45 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ure n LYS 46 N -1.71 1.64 -3.29 -3.83 4.81 -1.13 -3.79 118.16 110.85 1ure n LYS 46 Ca 0.00 0.43 -0.44 0.00 -0.87 0.00 0.00 58.31 57.42 1ure n LYS 46 Cb 0.24 -3.03 -0.00 0.00 0.02 0.00 0.00 35.03 32.25 1ure n LYS 46 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ure n PHE 47 N 11.52 4.73 -2.40 5.64 3.01 -1.23 -2.55 117.46 136.18 1ure n PHE 47 Ca 0.34 -3.69 -0.38 0.00 1.01 0.00 0.00 57.45 54.73 1ure n PHE 47 Cb 0.39 -1.61 -0.02 0.00 -0.01 0.00 0.00 39.48 38.23 1ure n PHE 47 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ure s THR 48 N -1.57 3.92 -0.65 4.37 -1.32 -1.10 -3.35 115.64 115.94 1ure s THR 48 Ca 0.31 -1.57 -0.26 0.00 -1.21 0.00 0.00 61.69 58.96 1ure s THR 48 Cb -0.07 -4.99 -0.12 0.00 -1.51 0.00 0.00 72.50 65.81 1ure s THR 48 CO -0.05 -1.67 2.44 1.33 -2.21 0.00 0.00 174.62 174.46 1ure n VAL 49 N 6.89 -0.05 -2.01 5.08 0.24 -1.26 -4.01 118.33 123.20 1ure n VAL 49 Ca 0.47 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 1ure n VAL 49 Cb 0.46 -2.21 -0.03 0.00 -1.47 0.00 0.00 33.84 30.59 1ure n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ure s LYS 50 N 8.48 3.87 -0.39 7.34 2.20 -0.84 -0.18 119.74 140.21 1ure s LYS 50 Ca 1.03 1.90 -0.08 0.00 -0.36 0.00 0.00 55.97 58.45 1ure s LYS 50 Cb -0.32 -4.06 0.06 0.00 -1.51 0.00 0.00 37.83 32.01 1ure s LYS 50 CO 0.26 -1.22 0.20 -2.00 -0.36 0.00 0.00 175.35 172.23 1ure s GLU 51 N 4.62 2.62 -0.69 4.03 2.12 -0.64 0.03 118.70 130.78 1ure s GLU 51 Ca 0.75 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1ure s GLU 51 Cb -0.29 -3.67 0.38 0.00 0.26 0.00 0.00 34.13 30.81 1ure s GLU 51 CO 0.31 -0.83 1.73 0.43 -0.54 0.00 0.00 175.26 176.35 1ure n SER 52 N 4.89 6.64 -4.83 -1.70 7.64 -1.22 -0.16 113.62 124.87 1ure n SER 52 Ca -0.11 -3.80 -0.30 0.00 1.01 0.00 0.00 58.87 55.67 1ure n SER 52 Cb 0.44 -0.86 0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 -1.95 5.15 0.38 6.43 0.01 -1.24 -4.28 113.70 118.21 1ure s SER 53 Ca 0.52 1.40 0.17 0.00 1.31 0.00 0.00 55.95 59.35 1ure s SER 53 Cb 0.43 -2.23 1.07 0.00 0.21 0.00 0.00 66.02 65.51 1ure s SER 53 CO -0.30 -1.56 1.76 -1.13 0.41 0.00 0.00 173.24 172.41 1ure h ASN 54 N -0.80 0.48 0.14 2.44 -0.73 -1.76 -1.29 115.58 114.07 1ure h ASN 54 Ca -0.45 0.10 -0.00 0.00 1.87 0.00 0.00 56.30 57.81 1ure h ASN 54 Cb 1.24 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 1ure h ASN 54 CO 0.59 0.08 -0.24 -0.26 -0.37 0.00 0.00 177.43 177.23 1ure h PHE 55 N 0.42 -0.70 -1.35 0.67 0.04 -1.90 -3.46 116.94 110.66 1ure h PHE 55 Ca 0.61 0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.54 1ure h PHE 55 Cb 1.50 0.28 -0.26 0.00 2.20 0.00 0.00 35.95 39.67 1ure h PHE 55 CO -0.00 -0.30 0.71 0.50 -0.60 0.00 0.00 178.31 178.62 1ure s ARG 56 N -4.31 0.35 -1.10 1.51 3.52 -0.48 -5.06 118.95 113.38 1ure s ARG 56 Ca -0.08 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 55.44 1ure s ARG 56 Cb 0.02 0.17 0.04 0.00 -1.56 0.00 0.00 34.95 33.62 1ure s ARG 56 CO 0.28 -0.10 1.61 -0.80 -0.81 0.00 0.00 175.30 175.48 1ure s ASN 57 N -0.83 6.38 -0.20 -2.12 0.01 -1.23 -3.58 114.94 113.36 1ure s ASN 57 Ca 0.03 -1.67 0.01 0.00 -0.71 0.00 0.00 52.86 50.53 1ure s ASN 57 Cb -0.02 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1ure s ASN 57 CO -0.04 -1.62 -0.12 -0.51 -1.51 0.00 0.00 177.10 173.29 1ure s ILE 58 N 5.62 1.78 0.54 0.60 -1.16 0.77 -4.94 121.20 124.41 1ure s ILE 58 Ca 0.52 -1.05 -0.21 0.00 -0.51 0.00 0.00 60.65 59.40 1ure s ILE 58 Cb 0.00 -1.80 -0.05 0.00 0.61 0.00 0.00 42.46 41.22 1ure s ILE 58 CO -0.03 0.23 1.25 1.51 -2.81 0.00 0.00 174.94 175.10 1ure s ASP 59 N 1.34 5.48 -0.37 4.50 1.47 -1.26 -1.62 116.67 126.22 1ure s ASP 59 Ca -0.01 2.51 0.09 0.00 1.18 0.00 0.00 52.55 56.33 1ure s ASP 59 Cb -0.16 -2.61 0.44 0.00 -0.34 0.00 0.00 42.92 40.25 1ure s ASP 59 CO -0.09 -1.40 1.11 0.52 0.68 0.00 0.00 175.17 175.99 1ure n VAL 60 N -1.07 2.11 -1.41 2.11 0.31 0.74 -4.84 118.33 116.29 1ure n VAL 60 Ca 0.11 -4.29 -0.43 0.00 -0.01 0.00 0.00 64.34 59.72 1ure n VAL 60 Cb 0.47 -0.72 -0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1ure n VAL 60 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1ure n VAL 61 N -0.49 1.50 -3.27 2.52 3.14 -1.26 -4.30 118.33 116.17 1ure n VAL 61 Ca 0.33 -0.50 -0.07 0.00 -2.96 0.00 0.00 64.34 61.15 1ure n VAL 61 Cb 0.78 -0.34 -0.04 0.00 -1.06 0.00 0.00 33.84 33.18 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1ure s PHE 62 N -1.44 -1.13 -0.72 1.45 -0.12 -1.21 -4.95 117.98 109.85 1ure s PHE 62 Ca 0.62 -0.03 -0.26 0.00 -0.05 0.00 0.00 56.93 57.21 1ure s PHE 62 Cb -0.66 -0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 1ure s PHE 62 CO 0.59 -1.07 2.08 -1.21 -0.05 0.00 0.00 175.22 175.57 1ure s GLU 63 N 1.92 2.32 0.00 1.99 2.02 -1.26 -3.51 118.70 122.17 1ure s GLU 63 Ca 0.15 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.55 1ure s GLU 63 Cb -0.10 -4.72 0.00 0.00 0.10 0.00 0.00 34.13 29.41 1ure s GLU 63 CO -0.12 -3.36 0.00 1.47 0.02 0.00 0.00 175.26 173.27 1ure n LEU 64 N 14.79 0.00 -0.06 1.80 -0.00 -1.25 -1.62 117.00 130.66 1ure n LEU 64 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 1ure n LEU 64 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1ure n LEU 64 CO 0.64 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.64 1ure n GLY 65 N 0.00 1.22 2.77 1.47 0.00 -1.26 -5.03 105.19 104.36 1ure n GLY 65 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.85 1.59 0.00 1.61 0.31 -0.64 -5.06 118.33 115.29 1ure n VAL 66 Ca 0.00 -4.85 0.00 0.00 -0.01 0.00 0.00 64.34 59.48 1ure n VAL 66 Cb 0.10 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.89 1ure n VAL 66 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ure n ASP 67 N 1.78 0.00 -3.92 4.52 5.75 -1.26 -4.70 116.55 118.72 1ure n ASP 67 Ca 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.91 1ure n ASP 67 Cb 0.37 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1ure s PHE 68 N 0.00 0.31 0.09 2.11 -0.71 -1.12 -4.99 117.98 113.67 1ure s PHE 68 Ca 0.00 -0.69 0.08 0.00 -1.04 0.00 0.00 56.93 55.29 1ure s PHE 68 Cb 0.00 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1ure s PHE 68 CO 0.00 -0.69 -0.18 0.00 -1.34 0.00 0.00 175.22 173.01 1ure s ALA 69 N -3.94 2.66 -0.05 1.99 0.00 -1.26 -1.25 121.76 119.92 1ure s ALA 69 Ca 0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1ure s ALA 69 Cb 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1ure s ALA 69 CO -0.03 0.59 -0.06 0.98 0.00 0.00 0.00 175.76 177.25 1ure n TYR 70 N 1.04 0.00 -1.89 0.00 9.36 -0.52 -4.97 117.16 120.19 1ure n TYR 70 Ca -0.16 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.05 1ure n TYR 70 Cb 0.52 -0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 39.05 1ure n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1ure n SER 71 N -3.07 -3.20 -3.13 2.98 2.88 -1.12 -4.91 113.62 104.06 1ure n SER 71 Ca -0.09 0.80 -0.18 0.00 -1.33 0.00 0.00 58.87 58.07 1ure n SER 71 Cb 0.57 -3.15 0.15 0.00 -0.75 0.00 0.00 64.21 61.03 1ure n SER 71 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ure n LEU 72 N 0.89 0.00 -0.48 2.46 4.77 -1.10 -4.73 117.00 118.81 1ure n LEU 72 Ca -0.12 -0.68 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 1ure n LEU 72 Cb 0.19 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1ure n LEU 72 CO 0.11 -1.71 0.36 0.00 -1.33 0.00 0.00 177.39 174.82 1ure n ALA 73 N -4.13 2.90 0.00 -1.18 0.00 -1.26 -3.75 120.51 113.09 1ure n ALA 73 Ca -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1ure n ALA 73 Cb 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1ure n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ure n ASP 74 N 0.28 1.04 -0.00 0.00 -0.08 -1.26 -4.87 116.55 111.66 1ure n ASP 74 Ca 0.08 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.41 1ure n ASP 74 Cb 0.37 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.77 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ure n GLY 75 N 3.00 0.01 0.57 0.27 0.00 -1.26 -5.04 105.19 102.74 1ure n GLY 75 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1ure n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ure n THR 76 N -1.25 0.00 -1.59 2.61 -1.04 -1.25 -4.87 114.28 106.89 1ure n THR 76 Ca 0.02 0.15 0.01 0.00 -2.04 0.00 0.00 64.05 62.18 1ure n THR 76 Cb 0.16 -0.34 -0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1ure n THR 76 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ure n GLU 77 N -2.98 -0.13 0.00 -2.82 0.28 -1.26 -3.99 120.64 109.73 1ure n GLU 77 Ca -0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ure n GLU 77 Cb 0.26 -0.16 0.00 0.00 1.43 0.00 0.00 31.44 32.97 1ure n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1ure n LEU 78 N 0.00 0.00 -3.63 -1.84 0.00 -1.26 -2.72 117.00 107.55 1ure n LEU 78 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 1ure n LEU 78 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.39 1ure n LEU 78 CO 0.00 0.00 0.46 -0.89 0.00 0.00 0.00 177.39 176.96 1ure s THR 79 N -1.16 -0.10 0.00 1.96 2.01 0.11 -1.44 115.64 117.02 1ure s THR 79 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ure s THR 79 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1ure s THR 79 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1ure n GLY 80 N 4.24 -0.83 3.61 4.40 0.00 -0.38 0.14 105.19 116.37 1ure n GLY 80 Ca -0.18 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.10 0.00 0.18 2.61 -4.23 0.59 -2.78 115.64 109.91 1ure s THR 81 Ca 0.00 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1ure s THR 81 Cb 0.00 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.46 1ure s THR 81 CO 0.00 0.00 0.20 -2.67 -0.54 0.00 0.00 174.62 171.61 1ure n TRP 82 N -0.37 -3.54 0.00 3.99 4.27 -1.26 0.17 117.44 120.69 1ure n TRP 82 Ca -0.09 -0.18 0.00 0.00 -3.89 0.00 0.00 57.50 53.34 1ure n TRP 82 Cb 0.62 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.39 1ure n TRP 82 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 1ure n THR 83 N -2.61 0.00 -2.74 -1.67 5.66 0.30 -4.60 114.28 108.61 1ure n THR 83 Ca 0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.60 1ure n THR 83 Cb 0.09 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.84 1ure n THR 83 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1ure s MET 84 N 0.00 3.19 0.00 1.09 1.75 -1.26 0.17 119.30 124.24 1ure s MET 84 Ca 0.00 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1ure s MET 84 Cb 0.00 -4.17 0.00 0.00 2.84 0.00 0.00 34.83 33.50 1ure s MET 84 CO 0.00 -1.86 0.14 0.39 -0.65 0.00 0.00 175.02 173.04 1ure n GLU 85 N 8.23 0.00 0.00 4.11 -0.58 0.16 -4.96 120.64 127.60 1ure n GLU 85 Ca -0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1ure n GLU 85 Cb 0.47 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 86 N -0.18 -0.06 0.89 0.62 0.00 -1.26 -4.92 105.19 100.28 1ure n GLY 86 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 2.67 -3.90 1.61 4.05 -1.26 -4.96 115.26 112.47 1ure n ASN 87 Ca 0.00 -1.89 -0.09 0.00 0.45 0.00 0.00 54.58 53.05 1ure n ASN 87 Cb 0.00 -0.20 -0.07 0.00 1.23 0.00 0.00 39.78 40.74 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1ure s LYS 88 N -1.60 1.02 0.09 1.20 3.01 -1.26 -4.99 119.74 117.22 1ure s LYS 88 Ca 0.35 -1.07 0.03 0.00 -1.01 0.00 0.00 55.97 54.28 1ure s LYS 88 Cb 0.20 0.37 -0.04 0.00 -1.01 0.00 0.00 37.83 37.35 1ure s LYS 88 CO 0.28 -0.36 0.10 -1.17 0.51 0.00 0.00 175.35 174.72 1ure s LEU 89 N -2.92 3.88 0.17 3.17 0.20 -1.18 -0.67 118.68 121.33 1ure s LEU 89 Ca 0.12 0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.96 1ure s LEU 89 Cb 0.04 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1ure s LEU 89 CO -0.05 0.16 0.03 0.68 -0.29 0.00 0.00 176.35 176.88 1ure s VAL 90 N -1.45 0.46 -0.35 1.68 -7.23 0.46 -0.10 120.40 113.87 1ure s VAL 90 Ca 0.30 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1ure s VAL 90 Cb -0.12 -2.16 0.11 0.00 0.56 0.00 0.00 36.38 34.77 1ure s VAL 90 CO 0.23 -0.41 0.13 -0.83 -0.31 0.00 0.00 175.10 173.90 1ure s GLY 91 N -3.15 1.41 -0.04 2.32 0.00 0.27 0.11 107.32 108.25 1ure s GLY 91 Ca 0.26 -2.09 -0.12 0.00 0.00 0.00 0.00 44.72 42.76 1ure s GLY 91 CO 0.04 1.45 0.33 0.54 0.00 0.00 0.00 173.10 175.46 1ure s LYS 92 N 1.14 3.79 -0.17 2.90 1.02 0.13 -0.39 119.74 128.16 1ure s LYS 92 Ca 0.12 0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.30 1ure s LYS 92 Cb -0.19 -3.22 0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1ure s LYS 92 CO -0.15 0.71 0.35 -0.06 -0.92 0.00 0.00 175.35 175.27 1ure s PHE 93 N -1.02 -0.62 0.44 3.18 0.08 0.33 -0.30 117.98 120.06 1ure s PHE 93 Ca 0.21 1.26 -0.01 0.00 0.12 0.00 0.00 56.93 58.51 1ure s PHE 93 Cb -0.15 0.16 0.09 0.00 -0.57 0.00 0.00 43.02 42.55 1ure s PHE 93 CO 0.10 -0.41 0.60 1.63 -0.10 0.00 0.00 175.22 177.04 1ure n LYS 94 N 5.22 0.10 -4.48 0.44 5.02 0.38 0.53 118.16 125.37 1ure n LYS 94 Ca -0.10 -1.53 -0.25 0.00 -2.02 0.00 0.00 58.31 54.41 1ure n LYS 94 Cb 0.50 -0.43 -0.17 0.00 -0.02 0.00 0.00 35.03 34.92 1ure n LYS 94 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ure s ARG 95 N -4.03 1.71 0.07 1.97 1.81 -1.26 0.08 118.95 119.30 1ure s ARG 95 Ca 0.39 -0.40 -0.14 0.00 -1.72 0.00 0.00 55.73 53.86 1ure s ARG 95 Cb -0.02 -1.46 -0.03 0.00 -0.45 0.00 0.00 34.95 32.99 1ure s ARG 95 CO 0.26 -0.02 0.89 1.33 -0.68 0.00 0.00 175.30 177.08 1ure n VAL 96 N 3.99 -0.30 -0.03 3.52 0.24 -1.26 0.59 118.33 125.08 1ure n VAL 96 Ca -0.21 1.39 0.06 0.00 -2.04 0.00 0.00 64.34 63.54 1ure n VAL 96 Cb 0.51 -1.75 -0.16 0.00 -1.47 0.00 0.00 33.84 30.98 1ure n VAL 96 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ure n ASP 97 N -4.11 0.36 0.14 -1.34 5.75 -1.26 -4.37 116.55 111.72 1ure n ASP 97 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1ure n ASP 97 Cb 0.11 1.71 0.10 0.00 -1.03 0.00 0.00 41.12 42.01 1ure n ASP 97 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1ure h ASN 98 N 0.00 0.00 -2.36 -1.12 -1.24 -1.94 -3.47 115.58 105.46 1ure h ASN 98 Ca -0.11 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.72 1ure h ASN 98 Cb 1.20 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.20 1ure h ASN 98 CO 0.01 0.56 -0.18 0.61 -1.29 0.00 0.00 177.43 177.14 1ure n GLY 99 N 0.92 0.43 0.00 1.57 0.00 0.20 -4.91 105.19 103.40 1ure n GLY 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.91 0.00 0.00 1.61 4.76 -1.26 -4.81 118.16 116.55 1ure n LYS 100 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1ure n LYS 100 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1ure n LYS 100 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ure n GLU 101 N 0.00 -3.07 -3.64 1.97 0.00 -1.26 -4.73 120.64 109.92 1ure n GLU 101 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1ure n GLU 101 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ure s LEU 102 N 0.00 -0.52 0.15 -1.84 0.20 0.19 -4.37 118.68 112.49 1ure s LEU 102 Ca 0.00 1.00 0.07 0.00 0.69 0.00 0.00 54.13 55.89 1ure s LEU 102 Cb 0.00 2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 47.74 1ure s LEU 102 CO 0.00 -0.17 -0.15 -0.51 -0.29 0.00 0.00 176.35 175.23 1ure s ILE 103 N 0.27 1.49 -0.10 6.68 1.10 0.69 0.12 121.20 131.45 1ure s ILE 103 Ca 0.02 -1.87 -0.19 0.00 -0.51 0.00 0.00 60.65 58.11 1ure s ILE 103 Cb -0.05 -1.71 0.04 0.00 0.15 0.00 0.00 42.46 40.89 1ure s ILE 103 CO -0.05 -0.45 0.46 0.00 -2.11 0.00 0.00 174.94 172.79 1ure s ALA 104 N -2.35 -1.16 -0.21 1.50 0.00 0.48 0.22 121.76 120.24 1ure s ALA 104 Ca 0.13 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1ure s ALA 104 Cb -0.04 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1ure s ALA 104 CO 0.04 -0.26 -0.09 0.54 0.00 0.00 0.00 175.76 175.99 1ure s VAL 105 N -0.55 1.60 -1.17 0.00 0.11 0.62 0.96 120.40 121.97 1ure s VAL 105 Ca -0.07 -1.08 -0.19 0.00 -2.93 0.00 0.00 61.98 57.72 1ure s VAL 105 Cb -0.03 -1.74 0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1ure s VAL 105 CO 0.04 0.08 1.56 -0.13 -3.33 0.00 0.00 175.10 173.32 1ure s ARG 106 N 1.40 3.85 -1.22 1.54 0.52 0.85 -2.04 118.95 123.85 1ure s ARG 106 Ca -0.03 -1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 53.28 1ure s ARG 106 Cb -0.17 -5.37 0.18 0.00 0.52 0.00 0.00 34.95 30.11 1ure s ARG 106 CO -0.07 -2.14 1.52 -1.91 0.02 0.00 0.00 175.30 172.71 1ure n GLU 107 N 8.05 3.47 -1.66 3.54 2.13 0.44 -3.12 120.64 133.49 1ure n GLU 107 Ca 0.41 -3.84 -0.46 0.00 0.66 0.00 0.00 57.16 53.93 1ure n GLU 107 Cb 0.47 -2.96 -0.04 0.00 0.27 0.00 0.00 31.44 29.18 1ure n GLU 107 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1ure n ILE 108 N 4.08 0.61 -2.81 6.31 3.06 -1.26 -3.57 119.36 125.77 1ure n ILE 108 Ca 0.36 -0.16 -0.34 0.00 -2.50 0.00 0.00 62.75 60.11 1ure n ILE 108 Cb 0.41 -2.10 -0.01 0.00 0.54 0.00 0.00 39.64 38.48 1ure n ILE 108 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1ure n SER 109 N 7.65 5.93 0.00 9.51 7.64 0.16 -4.96 113.62 139.55 1ure n SER 109 Ca 0.23 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1ure n SER 109 Cb 0.35 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.06 1.60 0.80 0.23 0.00 -1.26 -3.60 105.19 102.90 1ure n GLY 110 Ca 0.38 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 7.82 2.27 -3.72 1.61 5.03 -1.26 -3.43 115.26 123.57 1ure n ASN 111 Ca 0.00 -2.14 -0.24 0.00 0.87 0.00 0.00 54.58 53.06 1ure n ASN 111 Cb 0.00 -0.35 -0.17 0.00 -1.02 0.00 0.00 39.78 38.24 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ure s GLU 112 N -1.63 0.45 0.14 3.52 2.02 -1.24 -3.43 118.70 118.53 1ure s GLU 112 Ca 0.23 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 55.03 1ure s GLU 112 Cb 0.14 -1.34 -0.07 0.00 0.10 0.00 0.00 34.13 32.97 1ure s GLU 112 CO 0.13 -0.45 0.60 -1.17 0.02 0.00 0.00 175.26 174.39 1ure s LEU 113 N 1.99 4.40 -0.06 1.80 1.98 -1.01 0.36 118.68 128.14 1ure s LEU 113 Ca 0.03 1.22 -0.02 0.00 -2.89 0.00 0.00 54.13 52.47 1ure s LEU 113 Cb -0.14 -3.23 0.03 0.00 0.66 0.00 0.00 46.19 43.51 1ure s LEU 113 CO -0.06 0.14 0.05 -0.63 -1.89 0.00 0.00 176.35 173.95 1ure s ILE 114 N -1.37 0.03 -0.26 6.68 1.01 -1.23 0.95 121.20 127.00 1ure s ILE 114 Ca 0.36 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 1ure s ILE 114 Cb -0.17 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1ure s ILE 114 CO 0.20 0.15 0.16 -1.10 0.00 0.00 0.00 174.94 174.34 1ure s GLN 115 N 2.11 3.96 0.03 2.79 -0.21 -1.15 -0.42 119.66 126.76 1ure s GLN 115 Ca 0.05 -0.32 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 1ure s GLN 115 Cb -0.13 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.31 1ure s GLN 115 CO -0.04 -0.07 -0.01 -0.08 -2.12 0.00 0.00 175.29 172.96 1ure s THR 116 N 1.42 0.13 -0.38 -0.19 -1.32 -0.87 -0.12 115.64 114.31 1ure s THR 116 Ca 0.07 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1ure s THR 116 Cb -0.15 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1ure s THR 116 CO 0.07 -0.59 0.00 -1.22 -2.21 0.00 0.00 174.62 170.67 1ure n TYR 117 N 1.26 0.00 -1.99 9.09 4.01 0.87 0.23 117.16 130.63 1ure n TYR 117 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1ure n TYR 117 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.69 0.00 -0.04 -0.72 5.66 0.13 0.44 114.28 120.44 1ure n THR 118 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1ure n THR 118 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.25 117.16 126.60 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 -0.33 0.00 0.00 -0.63 0.00 0.00 39.34 38.38 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 -3.91 0.00 -2.19 2.98 1.02 -1.26 -2.51 120.64 114.77 1ure n GLU 120 Ca -0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1ure n GLU 120 Cb 0.38 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.85 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 3.54 2.13 2.54 0.62 0.00 -1.26 -4.99 105.19 107.78 1ure n GLY 121 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.57 0.47 1.39 1.61 1.01 -1.26 -5.12 120.40 115.92 1ure s VAL 122 Ca 0.32 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 1ure s VAL 122 Cb 0.35 -1.35 0.35 0.00 0.00 0.00 0.00 36.38 35.74 1ure s VAL 122 CO -0.08 -0.93 0.96 -1.61 0.00 0.00 0.00 175.10 173.45 1ure s GLU 123 N 1.01 -2.66 0.28 2.72 8.01 -1.25 -4.47 118.70 122.33 1ure s GLU 123 Ca 0.17 0.09 -0.19 0.00 0.01 0.00 0.00 54.97 55.04 1ure s GLU 123 Cb -0.23 -1.41 0.06 0.00 -4.31 0.00 0.00 34.13 28.24 1ure s GLU 123 CO -0.03 -4.69 0.89 0.00 0.01 0.00 0.00 175.26 171.44 1ure s ALA 124 N -2.41 -1.18 -0.28 5.21 0.00 0.17 -4.50 121.76 118.76 1ure s ALA 124 Ca 0.69 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1ure s ALA 124 Cb -0.12 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.81 1ure s ALA 124 CO 0.58 -1.03 0.76 0.15 0.00 0.00 0.00 175.76 176.21 1ure s LYS 125 N -2.49 0.66 -0.47 0.00 3.01 -1.24 -0.09 119.74 119.12 1ure s LYS 125 Ca 0.17 1.08 0.03 0.00 -1.01 0.00 0.00 55.97 56.24 1ure s LYS 125 Cb -0.04 0.16 0.15 0.00 -1.01 0.00 0.00 37.83 37.09 1ure s LYS 125 CO 0.08 -0.13 0.30 -0.98 0.51 0.00 0.00 175.35 175.13 1ure s ARG 126 N 1.40 1.29 -0.41 1.68 1.70 0.82 0.15 118.95 125.59 1ure s ARG 126 Ca -0.08 -2.17 -0.27 0.00 -0.47 0.00 0.00 55.73 52.74 1ure s ARG 126 Cb -0.05 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 32.15 1ure s ARG 126 CO -0.16 -1.25 2.05 0.42 -1.08 0.00 0.00 175.30 175.28 1ure s ILE 127 N 0.07 3.23 -0.04 4.99 -1.09 -1.26 -2.96 121.20 124.14 1ure s ILE 127 Ca 0.23 0.20 -0.22 0.00 -2.23 0.00 0.00 60.65 58.63 1ure s ILE 127 Cb -0.14 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1ure s ILE 127 CO -0.08 -0.34 0.65 -0.36 -1.23 0.00 0.00 174.94 173.58 1ure s PHE 128 N 9.01 3.62 -0.81 3.97 0.40 0.27 -2.47 117.98 131.97 1ure s PHE 128 Ca 0.86 1.21 -0.02 0.00 -0.60 0.00 0.00 56.93 58.38 1ure s PHE 128 Cb -0.21 -2.71 0.37 0.00 0.51 0.00 0.00 43.02 40.98 1ure s PHE 128 CO 0.29 0.20 2.03 1.63 0.70 0.00 0.00 175.22 180.07 1ure n LYS 129 N 3.35 2.74 -1.00 0.44 4.76 -1.24 -2.40 118.16 124.81 1ure n LYS 129 Ca -0.04 -3.47 0.00 0.00 -2.87 0.00 0.00 58.31 51.93 1ure n LYS 129 Cb 0.51 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 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 -0.63 -0.35 0.00 1.97 4.81 -1.22 -4.73 118.16 118.02 1ure n LYS 130 Ca 0.56 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1ure n LYS 130 Cb 0.33 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66