#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure h PHE 2 N 0.00 -0.48 0.00 0.00 0.04 -1.98 -3.41 116.94 111.11 1ure h PHE 2 Ca 0.00 -0.01 -0.38 0.00 2.80 0.00 0.00 57.97 60.38 1ure h PHE 2 Cb 0.00 0.16 -0.11 0.00 2.20 0.00 0.00 35.95 38.19 1ure h PHE 2 CO 0.00 -0.24 1.98 -0.40 -0.60 0.00 0.00 178.31 179.05 1ure n ASP 3 N -5.27 -1.22 0.00 2.17 5.75 -1.26 -4.55 116.55 112.17 1ure n ASP 3 Ca -0.11 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 1ure n ASP 3 Cb 0.25 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1ure n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ure n GLY 4 N 5.58 -1.92 3.86 6.12 0.00 0.12 -4.99 105.19 113.96 1ure n GLY 4 Ca 0.67 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1ure n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ure s THR 5 N -2.46 4.68 0.07 2.61 -1.32 -1.26 0.15 115.64 118.10 1ure s THR 5 Ca 0.00 0.89 -0.13 0.00 -1.21 0.00 0.00 61.69 61.24 1ure s THR 5 Cb 0.00 -3.79 0.02 0.00 -1.51 0.00 0.00 72.50 67.22 1ure s THR 5 CO 0.00 -0.82 0.29 0.26 -2.21 0.00 0.00 174.62 172.14 1ure s TRP 6 N -2.77 -0.05 -0.29 9.09 0.52 0.12 -1.63 118.94 123.92 1ure s TRP 6 Ca 0.55 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.51 1ure s TRP 6 Cb -0.10 0.08 0.20 0.00 -1.15 0.00 0.00 33.47 32.50 1ure s TRP 6 CO 0.40 -0.55 0.60 -1.59 0.02 0.00 0.00 176.95 175.83 1ure s LYS 7 N -3.16 0.55 0.25 4.98 -2.85 -1.26 0.15 119.74 118.41 1ure s LYS 7 Ca -0.01 0.66 -0.29 0.00 -1.00 0.00 0.00 55.97 55.34 1ure s LYS 7 Cb 0.01 0.32 -0.15 0.00 -2.06 0.00 0.00 37.83 35.96 1ure s LYS 7 CO -0.07 -0.93 0.90 1.55 0.10 0.00 0.00 175.35 176.90 1ure n VAL 8 N 5.42 1.87 -0.58 1.79 3.14 -1.11 -3.11 118.33 125.75 1ure n VAL 8 Ca 0.04 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1ure n VAL 8 Cb 0.53 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 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 1.50 0.46 0.00 6.55 -0.08 -0.26 -4.80 116.55 119.92 1ure n ASP 9 Ca 0.12 -1.04 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1ure n ASP 9 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1ure n ASP 9 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ure n ARG 10 N -0.02 0.00 -1.32 -0.67 1.85 -1.24 -5.08 116.66 110.19 1ure n ARG 10 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 57.85 57.03 1ure n ARG 10 Cb 0.17 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.53 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ure n ASN 11 N -1.37 -7.83 0.00 2.89 4.13 -1.26 -4.94 115.26 106.88 1ure n ASN 11 Ca 0.00 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.83 1ure n ASN 11 Cb 0.00 -4.01 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 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 -3.98 0.00 -0.54 3.52 4.07 -0.99 -4.74 120.64 117.98 1ure n GLU 12 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.18 1ure n GLU 12 Cb 0.60 0.00 0.30 0.00 -0.06 0.00 0.00 31.44 32.28 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 -0.98 4.10 0.22 4.31 5.15 -1.26 -4.54 115.26 122.25 1ure n ASN 13 Ca 0.00 -2.41 0.15 0.00 -0.60 0.00 0.00 54.58 51.72 1ure n ASN 13 Cb 0.00 -0.54 0.80 0.00 -0.53 0.00 0.00 39.78 39.51 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 3.36 0.00 -0.21 1.20 5.03 -1.75 -2.66 116.97 121.94 1ure h TYR 14 Ca 0.00 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 1ure h TYR 14 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.58 1ure h TYR 14 CO 0.67 0.00 -0.55 1.05 -1.32 0.00 0.00 178.16 178.00 1ure h GLU 15 N 0.00 0.74 0.00 1.82 -0.00 -1.92 -3.23 114.58 112.00 1ure h GLU 15 Ca 0.07 -0.52 -0.13 0.00 -0.00 0.00 0.00 59.36 58.77 1ure h GLU 15 Cb 0.33 0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.14 1ure h GLU 15 CO -0.00 1.14 -0.63 -0.22 -0.00 0.00 0.00 179.01 179.30 1ure h LYS 16 N 0.47 0.00 -0.32 1.06 3.64 -1.85 -3.29 116.57 116.28 1ure h LYS 16 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1ure h LYS 16 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1ure h LYS 16 CO 0.12 0.63 -0.20 0.35 -2.27 0.00 0.00 179.45 178.07 1ure h PHE 17 N 0.00 0.67 0.00 1.91 3.57 -1.51 -1.93 116.94 119.64 1ure h PHE 17 Ca -0.01 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1ure h PHE 17 Cb 1.47 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1ure h PHE 17 CO 0.00 0.76 -0.23 0.52 -2.23 0.00 0.00 178.31 177.13 1ure h MET 18 N 0.53 0.00 0.00 1.11 2.86 -1.65 -2.80 114.93 114.98 1ure h MET 18 Ca 0.08 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1ure h MET 18 Cb 0.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ure h MET 18 CO 0.05 0.23 -0.25 1.49 1.06 0.00 0.00 176.91 179.49 1ure h GLU 19 N 0.00 0.00 -0.49 1.72 4.81 -1.42 -0.06 114.58 119.14 1ure h GLU 19 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1ure h GLU 19 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1ure h GLU 19 CO 0.03 0.25 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.14 1ure h LYS 20 N 0.00 0.99 0.01 1.92 1.63 -1.19 -3.20 116.57 116.71 1ure h LYS 20 Ca -0.00 -0.41 -0.25 0.00 -0.85 0.00 0.00 60.65 59.14 1ure h LYS 20 Cb 1.03 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.64 1ure h LYS 20 CO 0.03 1.09 -1.00 0.52 -3.45 0.00 0.00 179.45 176.64 1ure h MET 21 N 0.85 0.53 0.00 1.90 2.86 -1.68 -3.48 114.93 115.91 1ure h MET 21 Ca 0.11 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1ure h MET 21 Cb 0.77 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1ure h MET 21 CO 0.06 1.21 0.00 0.41 1.06 0.00 0.00 176.91 179.65 1ure n GLY 22 N 1.02 0.97 3.58 8.32 0.00 -1.17 -5.07 105.19 112.85 1ure n GLY 22 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.47 3.68 -0.42 -0.61 -1.09 -0.05 -4.91 121.20 117.33 1ure s ILE 23 Ca 0.00 0.62 -0.40 0.00 -2.23 0.00 0.00 60.65 58.63 1ure s ILE 23 Cb 0.00 -4.13 -0.16 0.00 -1.58 0.00 0.00 42.46 36.59 1ure s ILE 23 CO 0.00 -0.86 2.10 -3.20 -1.23 0.00 0.00 174.94 171.75 1ure n ASN 24 N 10.04 1.42 0.00 3.58 5.15 -1.26 -4.40 115.26 129.79 1ure n ASN 24 Ca 0.17 0.63 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 1ure n ASN 24 Cb 0.49 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ure n VAL 25 N 6.51 0.00 0.24 3.44 0.31 -1.26 0.48 118.33 128.05 1ure n VAL 25 Ca 0.46 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.92 1ure n VAL 25 Cb 0.08 0.00 0.47 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.33 0.00 2.52 -1.51 -2.00 -3.13 116.25 112.46 1ure h VAL 26 Ca 0.00 -0.97 -0.11 0.00 -1.23 0.00 0.00 66.70 64.39 1ure h VAL 26 Cb 0.00 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1ure h VAL 26 CO 0.00 0.14 -0.51 0.11 -1.23 0.00 0.00 177.57 176.08 1ure h LYS 27 N 0.00 0.00 0.00 5.19 1.57 -0.25 -0.07 116.57 123.02 1ure h LYS 27 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1ure h LYS 27 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1ure h LYS 27 CO 0.02 0.51 -0.44 0.00 -0.57 0.00 0.00 179.45 178.96 1ure h ARG 28 N 0.00 0.00 -0.00 3.15 3.08 -1.67 0.29 114.38 119.23 1ure h ARG 28 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ure h ARG 28 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1ure h ARG 28 CO 0.07 0.44 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.17 1ure h LYS 29 N 0.00 0.02 0.00 0.04 3.64 -1.51 -2.60 116.57 116.16 1ure h LYS 29 Ca -0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1ure h LYS 29 Cb 1.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1ure h LYS 29 CO 0.06 0.76 -0.59 1.25 -2.27 0.00 0.00 179.45 178.66 1ure h LEU 30 N -0.71 0.00 -1.06 5.20 5.85 -1.05 -3.08 115.31 120.46 1ure h LEU 30 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1ure h LEU 30 Cb 0.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1ure h LEU 30 CO 0.00 0.59 -0.32 1.23 -0.34 0.00 0.00 178.44 179.60 1ure h GLY 31 N 2.06 0.30 2.00 3.75 0.00 -0.44 0.61 103.07 111.35 1ure h GLY 31 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1ure h GLY 31 CO 0.08 0.23 -0.39 0.00 0.00 0.00 0.00 176.54 176.45 1ure h ALA 32 N 1.43 0.79 -0.07 3.60 0.00 -1.37 -3.26 119.26 120.38 1ure h ALA 32 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ure h ALA 32 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ure h ALA 32 CO 0.05 0.49 0.00 0.72 0.00 0.00 0.00 179.25 180.51 1ure n HIS 33 N -3.26 0.09 -0.42 0.00 -0.00 -1.13 -4.84 115.22 105.66 1ure n HIS 33 Ca 0.02 -0.12 0.33 0.00 -0.00 0.00 0.00 57.72 57.94 1ure n HIS 33 Cb 0.65 -0.01 0.52 0.00 -0.00 0.00 0.00 29.99 31.15 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 0.44 0.06 -0.62 0.41 5.75 0.21 -4.75 116.55 118.05 1ure n ASP 34 Ca 0.06 0.78 -0.05 0.00 -0.01 0.00 0.00 54.79 55.58 1ure n ASP 34 Cb 0.26 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1ure n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ure n ASN 35 N -3.61 -2.23 -4.56 -1.12 2.85 -1.26 0.71 115.26 106.04 1ure n ASN 35 Ca 0.29 -0.02 -0.15 0.00 -0.11 0.00 0.00 54.58 54.60 1ure n ASN 35 Cb 1.25 -1.52 -0.08 0.00 1.24 0.00 0.00 39.78 40.66 1ure n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ure s LEU 36 N -1.50 2.77 -0.55 1.20 2.96 -1.26 -3.87 118.68 118.44 1ure s LEU 36 Ca 0.01 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1ure s LEU 36 Cb -0.01 -2.56 0.06 0.00 0.50 0.00 0.00 46.19 44.18 1ure s LEU 36 CO 0.02 -4.01 0.75 -0.75 -1.32 0.00 0.00 176.35 171.04 1ure s LYS 37 N 8.67 3.16 -0.56 1.98 2.36 -1.17 -2.74 119.74 131.44 1ure s LYS 37 Ca 0.89 -0.80 -0.21 0.00 -2.55 0.00 0.00 55.97 53.29 1ure s LYS 37 Cb -0.11 -4.13 0.06 0.00 -1.05 0.00 0.00 37.83 32.61 1ure s LYS 37 CO 0.10 -1.39 0.80 -0.51 1.55 0.00 0.00 175.35 175.89 1ure s LEU 38 N 3.10 4.60 -1.08 5.43 1.02 0.38 -1.85 118.68 130.29 1ure s LEU 38 Ca 0.19 -0.78 -0.18 0.00 0.02 0.00 0.00 54.13 53.38 1ure s LEU 38 Cb -0.18 -2.56 0.13 0.00 0.02 0.00 0.00 46.19 43.59 1ure s LEU 38 CO 0.13 -1.12 1.34 -0.89 0.02 0.00 0.00 176.35 175.82 1ure s THR 39 N 3.34 4.65 0.23 5.49 2.01 0.55 0.11 115.64 132.02 1ure s THR 39 Ca 0.21 -1.86 -0.31 0.00 0.31 0.00 0.00 61.69 60.04 1ure s THR 39 Cb -0.17 -4.91 -0.12 0.00 0.01 0.00 0.00 72.50 67.31 1ure s THR 39 CO 0.14 -1.66 1.70 -0.38 -0.69 0.00 0.00 174.62 173.72 1ure n ILE 40 N 5.50 0.29 -3.35 1.82 2.08 0.39 -2.60 119.36 123.49 1ure n ILE 40 Ca 0.32 -0.07 -0.11 0.00 0.56 0.00 0.00 62.75 63.45 1ure n ILE 40 Cb 0.47 -2.00 -0.08 0.00 -0.75 0.00 0.00 39.64 37.28 1ure n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1ure s THR 41 N 0.85 -0.55 -0.28 1.39 2.01 -1.02 0.16 115.64 118.19 1ure s THR 41 Ca 0.72 -0.27 -0.39 0.00 0.31 0.00 0.00 61.69 62.06 1ure s THR 41 Cb -0.50 -0.92 -0.14 0.00 0.01 0.00 0.00 72.50 70.95 1ure s THR 41 CO 0.37 -0.28 1.87 0.00 -0.69 0.00 0.00 174.62 175.88 1ure n GLN 42 N 5.34 1.23 -1.26 4.92 1.13 -1.26 0.12 117.38 127.61 1ure n GLN 42 Ca -0.02 0.43 -0.24 0.00 -1.94 0.00 0.00 57.00 55.24 1ure n GLN 42 Cb 0.49 -2.22 -0.01 0.00 0.11 0.00 0.00 30.24 28.60 1ure n GLN 42 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ure n GLU 43 N 6.20 2.19 0.00 -1.09 4.07 -1.26 -4.77 120.64 125.98 1ure n GLU 43 Ca 0.30 -2.11 0.00 0.00 -0.06 0.00 0.00 57.16 55.28 1ure n GLU 43 Cb 0.16 -1.95 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ure n GLY 44 N 0.56 1.71 0.13 8.31 0.00 -1.26 -4.49 105.19 110.14 1ure n GLY 44 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 3.43 0.00 0.00 1.61 3.02 -1.26 -5.01 115.26 117.05 1ure n ASN 45 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ure n ASN 45 Cb 0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1ure n ASN 45 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ure n LYS 46 N -1.67 0.00 0.00 3.52 3.00 -1.26 -4.57 118.16 117.18 1ure n LYS 46 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 1ure n LYS 46 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 35.03 34.46 1ure n LYS 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ure n PHE 47 N -1.13 0.00 -2.69 5.64 3.72 -1.26 -4.44 117.46 117.31 1ure n PHE 47 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1ure n PHE 47 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1ure n PHE 47 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1ure s THR 48 N 0.00 4.39 -0.54 4.37 -1.32 0.12 -2.93 115.64 119.73 1ure s THR 48 Ca 0.00 1.26 -0.21 0.00 -1.21 0.00 0.00 61.69 61.52 1ure s THR 48 Cb 0.00 -4.48 0.05 0.00 -1.51 0.00 0.00 72.50 66.56 1ure s THR 48 CO 0.00 -0.77 0.79 0.68 -2.21 0.00 0.00 174.62 173.10 1ure s VAL 49 N 3.97 4.63 -0.28 5.08 -7.23 -0.73 -2.44 120.40 123.40 1ure s VAL 49 Ca 0.44 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 1ure s VAL 49 Cb -0.10 -4.43 -0.02 0.00 0.56 0.00 0.00 36.38 32.39 1ure s VAL 49 CO 0.25 -0.99 1.80 -0.75 -0.31 0.00 0.00 175.10 175.10 1ure s LYS 50 N 3.29 3.45 -1.14 4.82 2.20 -1.07 -0.76 119.74 130.52 1ure s LYS 50 Ca 0.22 1.57 -0.05 0.00 -0.36 0.00 0.00 55.97 57.35 1ure s LYS 50 Cb -0.16 -4.18 0.26 0.00 -1.51 0.00 0.00 37.83 32.24 1ure s LYS 50 CO 0.15 -1.72 1.69 -1.91 -0.36 0.00 0.00 175.35 173.19 1ure n GLU 51 N 8.27 4.44 -1.58 4.03 2.13 -1.26 -0.33 120.64 136.33 1ure n GLU 51 Ca 0.23 -4.25 -0.41 0.00 0.66 0.00 0.00 57.16 53.38 1ure n GLU 51 Cb 0.46 -2.61 -0.01 0.00 0.27 0.00 0.00 31.44 29.55 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 1.74 4.40 -1.50 4.31 7.64 -0.77 -3.78 113.62 125.65 1ure n SER 52 Ca 0.35 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1ure n SER 52 Cb 0.32 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1ure n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ure n SER 53 N 5.87 0.97 0.19 6.43 3.41 -1.25 -3.02 113.62 126.22 1ure n SER 53 Ca 0.55 -0.75 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 1ure n SER 53 Cb 0.36 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.57 1ure n SER 53 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1ure h ASN 54 N 0.00 0.00 0.03 4.04 2.35 0.03 -3.30 115.58 118.73 1ure h ASN 54 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ure h ASN 54 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ure h ASN 54 CO 0.00 0.33 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.83 1ure h PHE 55 N 0.00 -0.04 0.00 1.19 -1.00 -1.89 -3.49 116.94 111.72 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 1.03 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.60 1ure h PHE 55 CO 0.00 0.42 0.00 2.89 -1.61 0.00 0.00 178.31 180.01 1ure n ARG 56 N -4.89 0.00 -2.83 1.51 1.85 -1.24 -5.10 116.66 105.95 1ure n ARG 56 Ca -0.08 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.34 1ure n ARG 56 Cb 0.24 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.61 1ure n ARG 56 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1ure s ASN 57 N 0.00 6.74 0.00 2.89 3.84 -1.25 -4.31 114.94 122.85 1ure s ASN 57 Ca 0.00 0.75 0.00 0.00 0.21 0.00 0.00 52.86 53.82 1ure s ASN 57 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1ure s ASN 57 CO 0.00 -0.74 0.00 0.00 -2.79 0.00 0.00 177.10 173.57 1ure n ILE 58 N 5.71 0.00 -2.36 -5.21 0.13 -1.26 -5.00 119.36 111.37 1ure n ILE 58 Ca 0.07 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.67 1ure n ILE 58 Cb 0.48 -0.12 0.01 0.00 -0.84 0.00 0.00 39.64 39.16 1ure n ILE 58 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1ure n ASP 59 N -0.66 -5.73 -4.34 9.51 2.03 -1.21 -4.86 116.55 111.28 1ure n ASP 59 Ca 0.00 0.30 -0.43 0.00 0.52 0.00 0.00 54.79 55.18 1ure n ASP 59 Cb 0.07 -3.76 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 1ure n ASP 59 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ure n VAL 60 N -0.48 4.14 -2.25 5.18 0.31 0.06 -4.64 118.33 120.65 1ure n VAL 60 Ca 0.07 -4.41 -0.39 0.00 -0.01 0.00 0.00 64.34 59.60 1ure n VAL 60 Cb 0.31 -2.43 -0.02 0.00 -0.91 0.00 0.00 33.84 30.79 1ure n VAL 60 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ure s VAL 61 N 2.09 3.04 -0.38 2.52 0.11 -1.25 -1.77 120.40 124.76 1ure s VAL 61 Ca 0.45 0.92 0.12 0.00 -2.93 0.00 0.00 61.98 60.54 1ure s VAL 61 Cb 0.02 -3.53 0.36 0.00 -1.53 0.00 0.00 36.38 31.70 1ure s VAL 61 CO 0.01 0.12 0.86 0.49 -3.33 0.00 0.00 175.10 173.26 1ure n PHE 62 N 0.26 -0.30 0.00 1.54 3.72 -1.15 -4.87 117.46 116.66 1ure n PHE 62 Ca 0.03 -3.28 0.00 0.00 -0.05 0.00 0.00 57.45 54.16 1ure n PHE 62 Cb 0.45 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1ure n PHE 62 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ure n GLU 63 N 0.20 0.00 -1.50 -1.08 1.02 -1.26 -4.32 120.64 113.70 1ure n GLU 63 Ca 0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1ure n GLU 63 Cb 0.70 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 32.02 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ure n LEU 64 N 0.00 1.23 0.00 -4.62 4.32 -1.26 0.17 117.00 116.84 1ure n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ure n LEU 64 Cb 0.00 -1.19 0.00 0.00 -1.62 0.00 0.00 43.42 40.61 1ure n LEU 64 CO 0.00 -1.01 0.00 0.61 -1.22 0.00 0.00 177.39 175.77 1ure n GLY 65 N 6.39 0.94 3.20 -0.72 0.00 -1.03 -4.95 105.19 109.04 1ure n GLY 65 Ca 0.53 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.25 4.36 -1.28 1.61 0.31 0.44 -4.97 118.33 116.53 1ure n VAL 66 Ca 0.00 -5.44 -0.59 0.00 -0.01 0.00 0.00 64.34 58.30 1ure n VAL 66 Cb 0.04 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.42 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 2.28 0.79 -4.86 4.52 5.75 -1.26 -4.67 116.55 119.10 1ure n ASP 67 Ca 0.24 0.74 -0.24 0.00 -0.01 0.00 0.00 54.79 55.52 1ure n ASP 67 Cb 0.37 -0.86 0.02 0.00 -1.03 0.00 0.00 41.12 39.63 1ure n ASP 67 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1ure n PHE 68 N 6.61 -1.13 -3.86 2.11 -1.74 -0.99 -4.91 117.46 113.55 1ure n PHE 68 Ca 0.49 -2.26 -0.11 0.00 -0.56 0.00 0.00 57.45 55.01 1ure n PHE 68 Cb -0.04 -0.48 -0.10 0.00 1.52 0.00 0.00 39.48 40.38 1ure n PHE 68 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ure s ALA 69 N -2.76 -0.34 -0.13 1.98 0.00 -1.26 -2.43 121.76 116.82 1ure s ALA 69 Ca 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1ure s ALA 69 Cb -0.03 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1ure s ALA 69 CO 0.26 -0.19 0.25 -0.47 0.00 0.00 0.00 175.76 175.61 1ure s TYR 70 N -1.14 -0.38 -0.61 0.00 5.04 0.25 -4.98 117.35 115.52 1ure s TYR 70 Ca -0.12 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1ure s TYR 70 Cb -0.07 -0.10 0.50 0.00 0.35 0.00 0.00 41.96 42.65 1ure s TYR 70 CO 0.01 -0.37 2.01 0.43 -1.34 0.00 0.00 175.55 176.29 1ure n SER 71 N 5.35 6.78 0.00 4.32 7.64 -1.26 0.38 113.62 136.83 1ure n SER 71 Ca -0.06 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1ure n SER 71 Cb 0.50 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1ure n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ure n LEU 72 N -0.96 0.00 -1.02 -3.43 -0.00 -1.26 -4.00 117.00 106.34 1ure n LEU 72 Ca 0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.52 1ure n LEU 72 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.29 1ure n LEU 72 CO 0.75 0.00 -0.12 0.00 -0.00 0.00 0.00 177.39 178.02 1ure n ALA 73 N 0.00 -0.24 0.00 1.47 0.00 -1.26 -3.71 120.51 116.77 1ure n ALA 73 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ure n ALA 73 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.10 0.00 0.00 0.00 2.03 -1.26 -5.05 116.55 112.38 1ure n ASP 74 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1ure n ASP 74 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ure n GLY 75 N 0.00 0.23 2.45 0.27 0.00 -1.24 -4.98 105.19 101.91 1ure n GLY 75 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.53 -0.51 0.00 2.61 -2.24 -1.26 -4.45 114.28 106.90 1ure n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ure n THR 76 Cb 0.00 -2.36 0.00 0.00 -2.10 0.00 0.00 70.33 65.87 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 -2.66 0.00 -3.68 -0.78 -0.58 -1.22 -4.55 120.64 107.17 1ure n GLU 77 Ca -0.21 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.32 1ure n GLU 77 Cb 0.65 0.00 -0.18 0.00 -0.57 0.00 0.00 31.44 31.34 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ure s LEU 78 N 0.00 0.19 -0.06 -4.62 0.20 0.16 -3.84 118.68 110.72 1ure s LEU 78 Ca 0.00 0.04 -0.03 0.00 0.69 0.00 0.00 54.13 54.84 1ure s LEU 78 Cb 0.00 -0.17 0.04 0.00 -0.43 0.00 0.00 46.19 45.62 1ure s LEU 78 CO 0.00 -0.25 0.11 -0.89 -0.29 0.00 0.00 176.35 175.03 1ure s THR 79 N 2.15 -0.17 0.00 3.68 2.01 0.22 0.86 115.64 124.38 1ure s THR 79 Ca 0.05 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1ure s THR 79 Cb -0.12 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.17 1ure s THR 79 CO -0.03 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1ure n GLY 80 N 5.24 2.59 3.20 4.40 0.00 -1.02 0.98 105.19 120.59 1ure n GLY 80 Ca -0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.96 0.09 0.04 2.61 -4.23 -1.09 -2.35 115.64 107.75 1ure s THR 81 Ca 0.00 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1ure s THR 81 Cb 0.00 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1ure s THR 81 CO 0.00 -0.39 0.02 0.26 -0.54 0.00 0.00 174.62 173.98 1ure s TRP 82 N -4.04 3.09 -0.12 3.99 0.52 -1.26 -1.82 118.94 119.31 1ure s TRP 82 Ca 0.23 0.06 -0.06 0.00 0.02 0.00 0.00 56.10 56.36 1ure s TRP 82 Cb 0.06 -1.62 0.05 0.00 -1.15 0.00 0.00 33.47 30.81 1ure s TRP 82 CO 0.02 0.49 0.27 -0.08 0.02 0.00 0.00 176.95 177.67 1ure s THR 83 N -1.23 -0.13 -0.28 2.01 -1.32 -0.49 -2.46 115.64 111.74 1ure s THR 83 Ca 0.24 0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 60.60 1ure s THR 83 Cb -0.12 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.47 1ure s THR 83 CO 0.15 0.07 1.09 -0.32 -2.21 0.00 0.00 174.62 173.41 1ure s MET 84 N 1.56 4.12 0.46 7.08 1.75 -1.26 -2.44 119.30 130.58 1ure s MET 84 Ca -0.07 1.20 0.25 0.00 -1.25 0.00 0.00 55.69 55.82 1ure s MET 84 Cb -0.11 -3.72 0.54 0.00 2.84 0.00 0.00 34.83 34.39 1ure s MET 84 CO -0.09 -0.83 1.68 0.93 -0.65 0.00 0.00 175.02 176.07 1ure h GLU 85 N 7.99 0.00 0.00 4.11 4.39 -1.79 -3.47 114.58 125.81 1ure h GLU 85 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1ure h GLU 85 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1ure h GLU 85 CO 1.01 0.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.28 1ure n GLY 86 N 0.89 3.42 0.24 -3.84 0.00 -1.26 -4.77 105.19 99.86 1ure n GLY 86 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1ure n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 87 N 0.00 1.28 -3.66 1.61 4.13 -1.26 -4.97 115.26 112.39 1ure n ASN 87 Ca 0.00 -1.14 -0.06 0.00 1.68 0.00 0.00 54.58 55.06 1ure n ASN 87 Cb 0.00 0.34 -0.08 0.00 -1.54 0.00 0.00 39.78 38.50 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ure s LYS 88 N -1.09 0.41 0.36 3.52 1.02 -1.26 -4.95 119.74 117.75 1ure s LYS 88 Ca 0.08 1.16 -0.25 0.00 0.02 0.00 0.00 55.97 56.98 1ure s LYS 88 Cb 0.07 0.48 -0.09 0.00 -0.52 0.00 0.00 37.83 37.77 1ure s LYS 88 CO 0.18 -0.23 1.02 -1.17 -0.92 0.00 0.00 175.35 174.24 1ure s LEU 89 N 2.63 4.27 0.03 3.17 2.96 -1.23 -2.09 118.68 128.41 1ure s LEU 89 Ca -0.04 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 55.86 1ure s LEU 89 Cb -0.12 -4.04 -0.02 0.00 0.50 0.00 0.00 46.19 42.51 1ure s LEU 89 CO -0.15 -0.31 0.02 0.68 -1.32 0.00 0.00 176.35 175.28 1ure s VAL 90 N -1.57 0.14 -0.29 1.68 -7.23 -1.02 -0.34 120.40 111.76 1ure s VAL 90 Ca 0.53 -1.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1ure s VAL 90 Cb -0.23 -0.71 0.08 0.00 0.56 0.00 0.00 36.38 36.09 1ure s VAL 90 CO 0.28 -0.62 0.00 -0.83 -0.31 0.00 0.00 175.10 173.63 1ure s GLY 91 N -1.93 1.58 -0.59 2.32 0.00 -0.51 -1.40 107.32 106.79 1ure s GLY 91 Ca -0.08 -1.95 -0.09 0.00 0.00 0.00 0.00 44.72 42.60 1ure s GLY 91 CO -0.04 0.98 0.48 0.54 0.00 0.00 0.00 173.10 175.06 1ure s LYS 92 N 1.18 2.80 -0.22 2.90 1.02 -0.75 -1.01 119.74 125.66 1ure s LYS 92 Ca 0.03 -2.10 -0.17 0.00 0.02 0.00 0.00 55.97 53.75 1ure s LYS 92 Cb -0.19 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.06 1ure s LYS 92 CO -0.10 -1.22 0.47 -0.06 -0.92 0.00 0.00 175.35 173.52 1ure s PHE 93 N 0.78 3.34 0.16 3.18 0.08 0.17 -2.69 117.98 123.00 1ure s PHE 93 Ca 0.11 0.67 -0.11 0.00 0.12 0.00 0.00 56.93 57.71 1ure s PHE 93 Cb -0.21 -2.63 -0.07 0.00 -0.57 0.00 0.00 43.02 39.54 1ure s PHE 93 CO -0.03 -0.12 0.51 0.15 -0.10 0.00 0.00 175.22 175.63 1ure s LYS 94 N 1.71 3.86 -0.06 0.44 1.02 0.28 0.82 119.74 127.80 1ure s LYS 94 Ca 0.21 0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.50 1ure s LYS 94 Cb -0.15 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1ure s LYS 94 CO 0.09 0.45 0.08 0.50 -0.92 0.00 0.00 175.35 175.54 1ure s ARG 95 N -2.24 3.16 0.04 1.68 3.52 0.45 0.69 118.95 126.25 1ure s ARG 95 Ca 0.40 -0.35 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1ure s ARG 95 Cb -0.13 -2.94 -0.29 0.00 -1.56 0.00 0.00 34.95 30.02 1ure s ARG 95 CO 0.20 0.70 1.01 0.28 -0.81 0.00 0.00 175.30 176.68 1ure h VAL 96 N 3.70 1.33 0.00 7.11 2.07 -1.87 -1.76 116.25 126.83 1ure h VAL 96 Ca -0.51 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.10 1ure h VAL 96 Cb 1.20 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1ure h VAL 96 CO 0.59 0.85 0.00 -0.67 0.02 0.00 0.00 177.57 178.36 1ure n ASP 97 N -3.53 0.45 0.00 0.57 -0.08 -1.26 -4.35 116.55 108.35 1ure n ASP 97 Ca -0.13 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1ure n ASP 97 Cb 1.04 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1ure n ASN 98 N -1.97 0.00 0.00 1.67 5.15 -1.25 -5.06 115.26 113.79 1ure n ASN 98 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1ure n ASN 98 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ure n GLY 99 N 0.32 0.87 3.91 8.20 0.00 -0.66 -5.06 105.19 112.77 1ure n GLY 99 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1ure n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ure s LYS 100 N -0.74 2.49 -0.13 1.61 -0.14 -1.25 -4.84 119.74 116.73 1ure s LYS 100 Ca 0.00 -1.60 0.03 0.00 -1.36 0.00 0.00 55.97 53.04 1ure s LYS 100 Cb 0.00 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1ure s LYS 100 CO 0.00 -0.34 -0.22 -2.00 -0.76 0.00 0.00 175.35 172.03 1ure s GLU 101 N -4.23 3.03 -0.31 1.68 -6.30 -1.26 -0.41 118.70 110.90 1ure s GLU 101 Ca 0.48 -0.86 -0.29 0.00 -2.50 0.00 0.00 54.97 51.80 1ure s GLU 101 Cb -0.04 -2.41 0.01 0.00 0.00 0.00 0.00 34.13 31.70 1ure s GLU 101 CO 0.28 0.03 1.11 -0.51 0.02 0.00 0.00 175.26 176.19 1ure s LEU 102 N 0.71 3.94 0.10 2.70 1.43 0.24 -4.47 118.68 123.33 1ure s LEU 102 Ca -0.10 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 1ure s LEU 102 Cb -0.16 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1ure s LEU 102 CO 0.01 -0.90 0.29 -0.51 0.23 0.00 0.00 176.35 175.47 1ure s ILE 103 N 3.72 5.28 -0.02 -0.59 2.07 0.44 -0.66 121.20 131.45 1ure s ILE 103 Ca 0.47 -0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.47 1ure s ILE 103 Cb -0.13 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1ure s ILE 103 CO 0.16 0.08 0.10 0.00 -1.91 0.00 0.00 174.94 173.37 1ure s ALA 104 N -1.59 -0.24 -0.15 1.50 0.00 -0.18 -0.30 121.76 120.80 1ure s ALA 104 Ca 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 1ure s ALA 104 Cb -0.13 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1ure s ALA 104 CO 0.26 -0.13 0.02 0.54 0.00 0.00 0.00 175.76 176.46 1ure s VAL 105 N -0.68 0.51 -0.85 0.00 0.11 0.66 -1.42 120.40 118.73 1ure s VAL 105 Ca -0.08 -0.33 -0.25 0.00 -2.93 0.00 0.00 61.98 58.40 1ure s VAL 105 Cb -0.05 -0.88 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1ure s VAL 105 CO 0.00 -0.02 1.30 -0.13 -3.33 0.00 0.00 175.10 172.92 1ure s ARG 106 N 1.88 3.36 -1.02 1.54 0.52 0.54 -2.51 118.95 123.25 1ure s ARG 106 Ca 0.01 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1ure s ARG 106 Cb -0.15 -4.67 0.26 0.00 0.52 0.00 0.00 34.95 30.91 1ure s ARG 106 CO -0.07 -2.12 0.98 -2.00 0.02 0.00 0.00 175.30 172.11 1ure s GLU 107 N 5.11 3.90 -0.22 3.54 2.12 -0.50 -3.52 118.70 129.13 1ure s GLU 107 Ca 0.38 -3.10 -0.29 0.00 0.36 0.00 0.00 54.97 52.31 1ure s GLU 107 Cb -0.06 -4.40 -0.06 0.00 0.26 0.00 0.00 34.13 29.86 1ure s GLU 107 CO 0.04 -1.25 2.20 1.51 -0.54 0.00 0.00 175.26 177.21 1ure n ILE 108 N 2.84 0.35 0.36 -3.70 3.06 -1.26 -3.24 119.36 117.76 1ure n ILE 108 Ca 0.21 -0.41 0.14 0.00 -2.50 0.00 0.00 62.75 60.20 1ure n ILE 108 Cb 0.40 -2.40 0.43 0.00 0.54 0.00 0.00 39.64 38.60 1ure n ILE 108 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1ure h SER 109 N 14.27 0.00 0.00 9.51 0.02 -1.09 -3.48 113.55 132.77 1ure h SER 109 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1ure h SER 109 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ure h SER 109 CO 0.97 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1ure n GLY 110 N 0.64 -0.10 0.25 -3.77 0.00 -1.26 -4.87 105.19 96.07 1ure n GLY 110 Ca 0.03 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.51 1.61 2.35 -1.97 -3.42 115.58 110.65 1ure h ASN 111 Ca 0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.08 1ure h ASN 111 Cb 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.16 1ure h ASN 111 CO 0.00 0.00 -0.70 -1.61 -1.65 0.00 0.00 177.43 173.47 1ure s GLU 112 N -3.85 3.14 -0.36 0.81 0.41 -1.26 -4.13 118.70 113.46 1ure s GLU 112 Ca -0.04 -0.56 -0.12 0.00 -0.41 0.00 0.00 54.97 53.84 1ure s GLU 112 Cb 0.10 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1ure s GLU 112 CO 0.30 0.46 0.23 -1.17 -0.49 0.00 0.00 175.26 174.59 1ure s LEU 113 N -0.26 4.61 -0.34 1.80 0.20 -1.21 -0.39 118.68 123.10 1ure s LEU 113 Ca 0.03 -0.68 -0.02 0.00 0.69 0.00 0.00 54.13 54.15 1ure s LEU 113 Cb -0.13 -2.09 0.07 0.00 -0.43 0.00 0.00 46.19 43.62 1ure s LEU 113 CO 0.03 -0.31 0.08 -0.63 -0.29 0.00 0.00 176.35 175.22 1ure s ILE 114 N 1.65 3.13 0.92 6.68 1.01 -1.20 -1.24 121.20 132.16 1ure s ILE 114 Ca 0.05 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 58.96 1ure s ILE 114 Cb -0.18 -2.93 0.15 0.00 0.01 0.00 0.00 42.46 39.51 1ure s ILE 114 CO 0.09 -0.32 1.13 -1.10 0.00 0.00 0.00 174.94 174.74 1ure s GLN 115 N 1.22 1.03 0.00 2.79 -0.21 -0.67 -1.41 119.66 122.40 1ure s GLN 115 Ca -0.00 0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1ure s GLN 115 Cb -0.21 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1ure s GLN 115 CO -0.02 -2.28 0.00 -2.37 -2.12 0.00 0.00 175.29 168.50 1ure n THR 116 N -3.83 0.00 0.00 -0.19 5.66 -1.05 0.15 114.28 115.02 1ure n THR 116 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1ure n THR 116 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1ure n THR 116 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ure n TYR 117 N -0.31 0.00 -3.52 1.09 4.01 -1.23 0.24 117.16 117.44 1ure n TYR 117 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ure n TYR 117 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ure n TYR 117 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ure n THR 118 N 0.46 0.00 -0.05 -0.72 -2.24 0.59 -0.34 114.28 111.99 1ure n THR 118 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1ure n THR 118 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1ure n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ure n TYR 119 N 0.00 0.00 0.04 4.78 9.36 -1.26 0.17 117.16 130.24 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 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 1ure n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ure n GLU 120 N -3.86 0.00 -0.27 2.98 0.00 -1.26 -1.73 120.64 116.50 1ure n GLU 120 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 1ure n GLU 120 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 31.44 31.65 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 121 N 2.42 0.90 3.07 8.31 0.00 -1.26 -5.02 105.19 113.61 1ure n GLY 121 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.06 1.16 1.61 1.01 -1.26 -5.07 120.40 119.91 1ure s VAL 122 Ca 0.00 -1.41 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 1ure s VAL 122 Cb 0.00 -2.11 0.27 0.00 0.00 0.00 0.00 36.38 34.54 1ure s VAL 122 CO 0.00 0.11 1.14 -1.61 0.00 0.00 0.00 175.10 174.74 1ure s GLU 123 N 1.18 -0.87 0.00 2.72 2.02 -1.25 -4.28 118.70 118.22 1ure s GLU 123 Ca -0.05 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1ure s GLU 123 Cb -0.18 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1ure s GLU 123 CO -0.07 -3.47 0.00 0.00 0.02 0.00 0.00 175.26 171.74 1ure n ALA 124 N -4.58 0.00 -1.29 5.21 0.00 0.54 -4.24 120.51 116.15 1ure n ALA 124 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1ure n ALA 124 Cb 0.59 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.17 1ure n ALA 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ure s LYS 125 N 0.00 1.44 -0.41 0.00 3.01 -1.26 -3.49 119.74 119.03 1ure s LYS 125 Ca 0.00 0.77 0.05 0.00 -1.01 0.00 0.00 55.97 55.78 1ure s LYS 125 Cb 0.00 -1.83 0.19 0.00 -1.01 0.00 0.00 37.83 35.18 1ure s LYS 125 CO 0.00 -2.10 0.40 0.54 0.51 0.00 0.00 175.35 174.70 1ure n ARG 126 N -3.78 0.34 -2.12 1.68 1.74 0.12 -2.33 116.66 112.31 1ure n ARG 126 Ca 0.07 -3.15 -0.43 0.00 -0.77 0.00 0.00 57.85 53.57 1ure n ARG 126 Cb 0.56 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.27 3.67 -0.10 0.55 1.09 -1.26 -1.67 121.20 123.21 1ure s ILE 127 Ca 0.33 0.73 -0.09 0.00 -1.10 0.00 0.00 60.65 60.52 1ure s ILE 127 Cb 0.08 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1ure s ILE 127 CO -0.17 -0.39 0.21 -0.36 -0.10 0.00 0.00 174.94 174.13 1ure s PHE 128 N 5.70 3.61 -0.50 3.97 0.08 -0.37 -1.10 117.98 129.37 1ure s PHE 128 Ca 0.72 0.63 0.03 0.00 0.12 0.00 0.00 56.93 58.43 1ure s PHE 128 Cb -0.22 -2.06 0.54 0.00 -0.57 0.00 0.00 43.02 40.71 1ure s PHE 128 CO 0.31 0.66 1.83 1.63 -0.10 0.00 0.00 175.22 179.55 1ure n LYS 129 N 2.14 2.47 -1.47 0.44 4.76 -1.18 -3.31 118.16 122.01 1ure n LYS 129 Ca -0.18 -3.25 0.00 0.00 -2.87 0.00 0.00 58.31 52.01 1ure n LYS 129 Cb 0.54 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 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 -1.02 -0.59 0.00 1.97 4.81 -1.26 -4.83 118.16 117.24 1ure n LYS 130 Ca 0.56 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.56 1ure n LYS 130 Cb 1.13 -0.39 0.00 0.00 0.02 0.00 0.00 35.03 35.79 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66