#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 3.52 -3.44 0.00 3.01 -1.26 -4.83 117.46 114.47 1ure n PHE 2 Ca 0.00 -2.94 -0.20 0.00 1.01 0.00 0.00 57.45 55.33 1ure n PHE 2 Cb 0.00 -2.09 -0.11 0.00 -0.01 0.00 0.00 39.48 37.27 1ure n PHE 2 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ure s ASP 3 N 1.66 2.04 0.00 4.37 1.11 -1.26 -3.91 116.67 120.68 1ure s ASP 3 Ca 0.42 -0.82 0.00 0.00 0.18 0.00 0.00 52.55 52.33 1ure s ASP 3 Cb 0.07 0.32 0.00 0.00 1.07 0.00 0.00 42.92 44.38 1ure s ASP 3 CO -0.00 -0.39 0.00 0.61 1.18 0.00 0.00 175.17 176.56 1ure n GLY 4 N 5.30 0.52 3.89 0.21 0.00 -0.93 -5.02 105.19 109.15 1ure n GLY 4 Ca -0.03 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.00 3.61 -0.27 2.61 -1.32 -1.26 -0.68 115.64 116.33 1ure s THR 5 Ca 0.00 0.40 -0.07 0.00 -1.21 0.00 0.00 61.69 60.81 1ure s THR 5 Cb 0.00 -3.50 0.13 0.00 -1.51 0.00 0.00 72.50 67.62 1ure s THR 5 CO 0.00 -0.63 0.55 0.26 -2.21 0.00 0.00 174.62 172.60 1ure s TRP 6 N -3.26 -1.20 -0.40 9.09 0.52 -1.06 -1.97 118.94 120.66 1ure s TRP 6 Ca 0.57 1.85 0.03 0.00 0.02 0.00 0.00 56.10 58.57 1ure s TRP 6 Cb -0.11 0.55 0.11 0.00 -1.15 0.00 0.00 33.47 32.87 1ure s TRP 6 CO 0.50 -0.67 0.14 0.21 0.02 0.00 0.00 176.95 177.16 1ure s LYS 7 N 2.78 1.53 -0.37 4.98 2.20 -1.26 0.18 119.74 129.78 1ure s LYS 7 Ca 0.02 -2.04 -0.35 0.00 -0.36 0.00 0.00 55.97 53.25 1ure s LYS 7 Cb -0.13 -3.01 -0.15 0.00 -1.51 0.00 0.00 37.83 33.04 1ure s LYS 7 CO -0.17 -1.02 1.21 1.55 -0.36 0.00 0.00 175.35 176.56 1ure n VAL 8 N 3.88 0.00 -0.04 4.02 3.14 -1.21 -4.09 118.33 124.02 1ure n VAL 8 Ca 0.04 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.35 1ure n VAL 8 Cb 0.38 -0.37 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 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 3.16 1.42 -4.88 6.55 2.03 0.37 -4.90 116.55 120.30 1ure n ASP 9 Ca 0.24 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.40 1ure n ASP 9 Cb -0.04 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 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 -2.14 2.51 0.16 -0.67 1.70 0.52 -4.94 118.95 116.08 1ure s ARG 10 Ca -0.11 -1.57 -0.23 0.00 -0.47 0.00 0.00 55.73 53.36 1ure s ARG 10 Cb 0.04 -2.37 0.08 0.00 -0.57 0.00 0.00 34.95 32.13 1ure s ARG 10 CO 0.15 -0.24 1.08 -0.80 -1.08 0.00 0.00 175.30 174.41 1ure s ASN 11 N -4.16 0.01 0.00 -2.89 -0.87 -1.26 0.15 114.94 105.92 1ure s ASN 11 Ca 0.48 -0.61 0.00 0.00 -1.57 0.00 0.00 52.86 51.15 1ure s ASN 11 Cb -0.03 0.45 0.00 0.00 -0.02 0.00 0.00 41.25 41.64 1ure s ASN 11 CO 0.28 -0.89 0.00 1.21 -2.57 0.00 0.00 177.10 175.13 1ure n GLU 12 N -0.74 0.00 -0.05 -0.60 0.00 -0.88 -4.85 120.64 113.52 1ure n GLU 12 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.23 1ure n GLU 12 Cb 0.59 0.00 0.42 0.00 0.00 0.00 0.00 31.44 32.45 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ure n ASN 13 N 0.00 0.88 0.32 4.31 5.15 -1.26 -4.20 115.26 120.46 1ure n ASN 13 Ca 0.00 -1.62 0.20 0.00 -0.60 0.00 0.00 54.58 52.56 1ure n ASN 13 Cb 0.00 -0.06 1.10 0.00 -0.53 0.00 0.00 39.78 40.29 1ure n ASN 13 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1ure h TYR 14 N 1.14 0.00 0.00 1.20 -0.00 -1.75 -2.50 116.97 115.07 1ure h TYR 14 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 1ure h TYR 14 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.97 1ure h TYR 14 CO 0.06 0.00 -0.46 1.49 -0.00 0.00 0.00 178.16 179.25 1ure h GLU 15 N 0.00 0.00 0.05 0.10 4.81 -1.87 -3.04 114.58 114.63 1ure h GLU 15 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1ure h GLU 15 Cb 0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ure h GLU 15 CO -0.00 0.46 -1.09 -0.22 -0.73 0.00 0.00 179.01 177.43 1ure h LYS 16 N 0.00 0.11 -0.37 1.92 3.64 -1.75 -3.30 116.57 116.81 1ure h LYS 16 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1ure h LYS 16 Cb 1.05 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1ure h LYS 16 CO 0.06 1.09 0.20 0.35 -2.27 0.00 0.00 179.45 178.88 1ure h PHE 17 N 0.03 0.49 0.00 1.91 3.57 -1.50 0.12 116.94 121.56 1ure h PHE 17 Ca -0.06 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1ure h PHE 17 Cb 1.85 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1ure h PHE 17 CO 0.02 0.35 -0.24 0.52 -2.23 0.00 0.00 178.31 176.73 1ure h MET 18 N 0.51 0.00 0.00 1.11 2.86 -1.63 -2.86 114.93 114.93 1ure h MET 18 Ca 0.13 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1ure h MET 18 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1ure h MET 18 CO -0.02 0.24 -0.87 1.49 1.06 0.00 0.00 176.91 178.81 1ure h GLU 19 N 0.00 0.16 -0.63 1.72 4.57 -0.87 0.25 114.58 119.78 1ure h GLU 19 Ca -0.00 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1ure h GLU 19 Cb 0.83 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1ure h GLU 19 CO 0.03 0.93 0.14 -0.22 -1.18 0.00 0.00 179.01 178.71 1ure h LYS 20 N 0.09 1.01 0.00 1.92 3.11 -1.17 -2.19 116.57 119.33 1ure h LYS 20 Ca -0.04 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.53 1ure h LYS 20 Cb 1.50 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1ure h LYS 20 CO 0.13 0.92 -0.13 0.52 -2.81 0.00 0.00 179.45 178.08 1ure h MET 21 N 0.92 0.00 -1.99 1.90 2.86 -1.58 -3.48 114.93 113.57 1ure h MET 21 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1ure h MET 21 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1ure h MET 21 CO 0.00 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.51 1ure n GLY 22 N 0.41 0.78 0.14 8.32 0.00 -0.82 -4.91 105.19 109.11 1ure n GLY 22 Ca 0.01 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1ure n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ure n ILE 23 N -0.94 0.00 0.00 -0.61 2.08 0.05 -4.92 119.36 115.02 1ure n ILE 23 Ca 0.00 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1ure n ILE 23 Cb 0.33 0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.60 1ure n ILE 23 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1ure n ASN 24 N -1.01 0.00 0.06 4.38 5.03 -1.26 -4.13 115.26 118.34 1ure n ASN 24 Ca 0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.54 1ure n ASN 24 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1ure n VAL 25 N 0.00 0.20 0.01 2.41 0.31 -1.26 -4.83 118.33 115.18 1ure n VAL 25 Ca 0.00 0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.34 1ure n VAL 25 Cb 0.00 -0.83 0.13 0.00 -0.91 0.00 0.00 33.84 32.23 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 1.30 0.00 2.52 -1.51 -2.01 -3.23 116.25 113.32 1ure h VAL 26 Ca 0.00 -1.54 -0.10 0.00 -1.23 0.00 0.00 66.70 63.83 1ure h VAL 26 Cb 0.15 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1ure h VAL 26 CO 0.00 0.48 -0.48 0.11 -1.23 0.00 0.00 177.57 176.45 1ure h LYS 27 N 0.42 0.00 0.00 5.19 1.57 -1.93 -1.95 116.57 119.87 1ure h LYS 27 Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1ure h LYS 27 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ure h LYS 27 CO 0.07 0.48 -0.36 0.07 -0.57 0.00 0.00 179.45 179.14 1ure h ARG 28 N 0.00 0.00 0.09 3.15 0.11 -1.74 -1.36 114.38 114.63 1ure h ARG 28 Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.89 1ure h ARG 28 Cb 1.11 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.21 1ure h ARG 28 CO 0.06 0.36 -0.78 -0.22 0.10 0.00 0.00 179.97 179.50 1ure h LYS 29 N 0.00 0.37 0.00 0.08 3.64 -1.58 -3.09 116.57 116.00 1ure h LYS 29 Ca -0.00 -0.52 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1ure h LYS 29 Cb 1.25 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 1ure h LYS 29 CO 0.05 1.20 -0.24 -0.07 -2.27 0.00 0.00 179.45 178.12 1ure h LEU 30 N -0.21 0.00 0.09 5.20 3.38 -1.39 -3.22 115.31 119.16 1ure h LEU 30 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ure h LEU 30 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1ure h LEU 30 CO 0.15 0.24 -0.04 1.23 0.09 0.00 0.00 178.44 180.10 1ure h GLY 31 N 2.53 -0.12 0.77 0.83 0.00 -1.28 -2.10 103.07 103.70 1ure h GLY 31 Ca -0.00 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.49 1ure h GLY 31 CO 0.03 -0.04 0.50 0.00 0.00 0.00 0.00 176.54 177.03 1ure h ALA 32 N 0.41 1.95 -2.13 3.60 0.00 -1.57 -3.19 119.26 118.32 1ure h ALA 32 Ca -0.01 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1ure h ALA 32 Cb 0.39 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 17.67 1ure h ALA 32 CO 0.02 -0.13 -0.93 1.58 0.00 0.00 0.00 179.25 179.78 1ure n HIS 33 N -4.50 1.98 0.47 0.00 -0.00 -1.22 -4.93 115.22 107.03 1ure n HIS 33 Ca 0.14 -3.90 0.11 0.00 -0.00 0.00 0.00 57.72 54.07 1ure n HIS 33 Cb 0.43 -0.45 -0.05 0.00 -0.00 0.00 0.00 29.99 29.92 1ure n HIS 33 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1ure n ASP 34 N 0.09 0.54 0.00 0.26 8.00 -0.79 -4.82 116.55 119.84 1ure n ASP 34 Ca 0.28 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ure n ASP 34 Cb 0.53 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.74 1ure n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ure n ASN 35 N -2.00 -0.17 -4.58 -2.24 5.15 -1.26 0.54 115.26 110.70 1ure n ASN 35 Ca 0.01 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1ure n ASN 35 Cb 0.46 -0.07 -0.08 0.00 -0.53 0.00 0.00 39.78 39.55 1ure n ASN 35 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ure s LEU 36 N 0.00 2.80 -0.95 1.20 2.96 -1.26 -4.07 118.68 119.37 1ure s LEU 36 Ca 0.00 -1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 52.51 1ure s LEU 36 Cb 0.00 -2.59 0.14 0.00 0.50 0.00 0.00 46.19 44.24 1ure s LEU 36 CO 0.00 -3.70 1.13 -0.75 -1.32 0.00 0.00 176.35 171.71 1ure s LYS 37 N 7.37 3.65 -0.72 1.98 2.20 -1.25 -3.36 119.74 129.61 1ure s LYS 37 Ca 0.75 -1.90 -0.26 0.00 -0.36 0.00 0.00 55.97 54.20 1ure s LYS 37 Cb -0.04 -4.90 -0.05 0.00 -1.51 0.00 0.00 37.83 31.34 1ure s LYS 37 CO 0.13 -1.74 2.01 -0.51 -0.36 0.00 0.00 175.35 174.88 1ure s LEU 38 N 2.39 3.22 -0.60 5.43 1.02 0.47 -3.85 118.68 126.75 1ure s LEU 38 Ca 0.33 0.02 -0.27 0.00 0.02 0.00 0.00 54.13 54.22 1ure s LEU 38 Cb -0.05 -2.54 0.03 0.00 0.02 0.00 0.00 46.19 43.65 1ure s LEU 38 CO -0.09 -2.72 1.16 -0.89 0.02 0.00 0.00 176.35 173.83 1ure s THR 39 N 10.36 4.04 0.17 5.49 2.01 -1.04 -2.55 115.64 134.12 1ure s THR 39 Ca 0.74 0.67 -0.11 0.00 0.31 0.00 0.00 61.69 63.30 1ure s THR 39 Cb -0.11 -4.73 -0.07 0.00 0.01 0.00 0.00 72.50 67.61 1ure s THR 39 CO 0.12 -1.39 0.51 -0.63 -0.69 0.00 0.00 174.62 172.54 1ure s ILE 40 N 4.88 4.94 -0.27 1.82 1.01 0.14 -1.78 121.20 131.95 1ure s ILE 40 Ca 0.39 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 1ure s ILE 40 Cb -0.09 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.84 1ure s ILE 40 CO 0.22 0.11 0.25 -0.89 0.00 0.00 0.00 174.94 174.63 1ure s THR 41 N -1.61 -0.33 -0.75 2.92 2.01 -1.26 -2.19 115.64 114.44 1ure s THR 41 Ca 0.41 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 1ure s THR 41 Cb -0.13 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.50 1ure s THR 41 CO 0.20 -0.47 1.19 -1.58 -0.69 0.00 0.00 174.62 173.27 1ure s GLN 42 N 2.31 3.22 -0.86 4.92 2.00 -1.25 -1.79 119.66 128.20 1ure s GLN 42 Ca 0.09 -0.58 -0.05 0.00 -2.00 0.00 0.00 55.36 52.82 1ure s GLN 42 Cb -0.15 -4.34 0.22 0.00 0.80 0.00 0.00 33.01 29.54 1ure s GLN 42 CO -0.30 -2.03 0.76 -2.00 -0.50 0.00 0.00 175.29 171.21 1ure s GLU 43 N 5.01 3.33 1.52 1.67 2.12 0.60 -4.88 118.70 128.07 1ure s GLU 43 Ca 0.32 -2.96 0.00 0.00 0.36 0.00 0.00 54.97 52.69 1ure s GLU 43 Cb -0.10 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.20 1ure s GLU 43 CO 0.10 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1ure n GLY 44 N 2.94 1.30 0.00 -1.50 0.00 -1.26 -2.09 105.19 104.58 1ure n GLY 44 Ca 0.17 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 4.21 0.78 -4.81 1.61 0.23 -1.26 -5.02 115.26 111.00 1ure n ASN 45 Ca 0.00 -0.31 -0.38 0.00 -0.53 0.00 0.00 54.58 53.35 1ure n ASN 45 Cb 0.00 0.78 -0.06 0.00 -2.08 0.00 0.00 39.78 38.42 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1ure s LYS 46 N -0.94 4.14 -0.48 -3.83 2.20 -0.89 -2.49 119.74 117.46 1ure s LYS 46 Ca 0.00 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.22 1ure s LYS 46 Cb 0.00 -3.26 0.13 0.00 -1.51 0.00 0.00 37.83 33.19 1ure s LYS 46 CO 0.00 0.59 0.26 -0.06 -0.36 0.00 0.00 175.35 175.77 1ure s PHE 47 N -0.86 3.50 -1.14 4.03 0.08 -1.20 -0.29 117.98 122.11 1ure s PHE 47 Ca 0.27 -2.72 -0.24 0.00 0.12 0.00 0.00 56.93 54.36 1ure s PHE 47 Cb -0.18 -3.11 -0.13 0.00 -0.57 0.00 0.00 43.02 39.03 1ure s PHE 47 CO 0.16 -0.89 1.97 0.25 -0.10 0.00 0.00 175.22 176.61 1ure n THR 48 N 3.98 1.45 -1.13 0.64 -2.24 -0.74 -2.57 114.28 113.68 1ure n THR 48 Ca 0.03 -1.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.05 1ure n THR 48 Cb 0.39 -2.13 -0.12 0.00 -2.10 0.00 0.00 70.33 66.37 1ure n THR 48 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1ure n VAL 49 N 8.04 0.00 -1.82 2.28 3.14 -1.26 -4.00 118.33 124.71 1ure n VAL 49 Ca 0.44 -0.01 -0.41 0.00 -2.96 0.00 0.00 64.34 61.40 1ure n VAL 49 Cb 0.46 -1.96 -0.01 0.00 -1.06 0.00 0.00 33.84 31.28 1ure n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ure s LYS 50 N 7.84 4.13 -0.25 1.45 2.20 -0.73 -0.04 119.74 134.34 1ure s LYS 50 Ca 0.75 2.54 -0.02 0.00 -0.36 0.00 0.00 55.97 58.88 1ure s LYS 50 Cb 0.03 -2.99 0.08 0.00 -1.51 0.00 0.00 37.83 33.44 1ure s LYS 50 CO 0.25 -0.53 0.06 -2.00 -0.36 0.00 0.00 175.35 172.77 1ure s GLU 51 N -1.60 0.67 -0.68 4.03 2.12 -1.16 -2.50 118.70 119.58 1ure s GLU 51 Ca 0.55 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 1ure s GLU 51 Cb -0.46 -1.99 0.41 0.00 0.26 0.00 0.00 34.13 32.35 1ure s GLU 51 CO 0.58 -0.81 1.85 -1.13 -0.54 0.00 0.00 175.26 175.21 1ure n SER 52 N 4.98 7.06 -4.77 -1.70 3.41 -1.25 -2.37 113.62 118.97 1ure n SER 52 Ca -0.06 -3.80 -0.36 0.00 -0.26 0.00 0.00 58.87 54.39 1ure n SER 52 Cb 0.44 -0.90 0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1ure n SER 52 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ure s SER 53 N -1.90 5.63 0.64 4.04 0.15 -1.16 -3.98 113.70 117.13 1ure s SER 53 Ca 0.57 2.30 0.25 0.00 0.70 0.00 0.00 55.95 59.77 1ure s SER 53 Cb 0.46 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 63.49 1ure s SER 53 CO -0.18 -1.28 1.74 -1.13 1.20 0.00 0.00 173.24 173.59 1ure h ASN 54 N 1.30 0.00 -0.00 5.45 -0.00 -0.18 -0.45 115.58 121.71 1ure h ASN 54 Ca -0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1ure h ASN 54 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 1ure h ASN 54 CO 0.57 0.00 -0.00 -0.26 -0.00 0.00 0.00 177.43 177.74 1ure h PHE 55 N 0.00 0.00 -2.06 0.67 0.04 -1.88 -3.47 116.94 110.25 1ure h PHE 55 Ca 0.08 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1ure h PHE 55 Cb 1.12 -0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.06 1ure h PHE 55 CO 0.00 0.61 0.11 -0.98 -0.60 0.00 0.00 178.31 177.46 1ure s ARG 56 N -3.76 0.84 -1.14 1.51 1.70 -0.18 -5.06 118.95 112.86 1ure s ARG 56 Ca -0.17 0.87 -0.09 0.00 -0.47 0.00 0.00 55.73 55.87 1ure s ARG 56 Cb 0.01 0.41 0.26 0.00 -0.57 0.00 0.00 34.95 35.05 1ure s ARG 56 CO 0.68 -0.13 1.26 0.09 -1.08 0.00 0.00 175.30 176.12 1ure n ASN 57 N 2.47 5.57 -4.12 -2.89 3.02 -1.24 -3.00 115.26 115.07 1ure n ASN 57 Ca -0.15 -3.08 -0.33 0.00 -0.03 0.00 0.00 54.58 51.00 1ure n ASN 57 Cb 0.55 -1.41 -0.15 0.00 -0.61 0.00 0.00 39.78 38.17 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1ure s ILE 58 N -0.86 2.36 0.63 2.41 1.10 -1.00 -4.97 121.20 120.87 1ure s ILE 58 Ca 0.34 -1.33 -0.19 0.00 -0.51 0.00 0.00 60.65 58.96 1ure s ILE 58 Cb -0.06 -2.26 -0.02 0.00 0.15 0.00 0.00 42.46 40.27 1ure s ILE 58 CO -0.04 0.14 1.26 -0.90 -2.11 0.00 0.00 174.94 173.29 1ure n ASP 59 N 4.54 1.97 -0.07 4.50 5.68 -1.26 -2.97 116.55 128.95 1ure n ASP 59 Ca -0.16 0.85 -0.07 0.00 -0.50 0.00 0.00 54.79 54.90 1ure n ASP 59 Cb 0.45 -1.54 -0.02 0.00 -1.14 0.00 0.00 41.12 38.87 1ure n ASP 59 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ure n VAL 60 N -1.76 1.33 -1.98 2.12 0.31 0.94 -4.89 118.33 114.41 1ure n VAL 60 Ca 0.15 0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1ure n VAL 60 Cb 0.47 -2.20 -0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1ure n VAL 60 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ure n VAL 61 N -4.19-10.08 -3.57 2.52 0.24 -1.21 -4.81 118.33 97.23 1ure n VAL 61 Ca -0.11 2.22 -0.16 0.00 -2.04 0.00 0.00 64.34 64.24 1ure n VAL 61 Cb 0.42 -5.24 -0.13 0.00 -1.47 0.00 0.00 33.84 27.42 1ure n VAL 61 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1ure s PHE 62 N -0.43 -0.32 0.37 6.34 2.19 -1.06 -4.90 117.98 120.17 1ure s PHE 62 Ca -0.02 0.53 -0.27 0.00 0.33 0.00 0.00 56.93 57.50 1ure s PHE 62 Cb 0.00 -0.24 -0.09 0.00 -1.31 0.00 0.00 43.02 41.38 1ure s PHE 62 CO 0.05 -0.47 1.25 -1.21 1.83 0.00 0.00 175.22 176.66 1ure s GLU 63 N 2.35 4.19 0.30 10.12 2.02 -1.26 -3.21 118.70 133.22 1ure s GLU 63 Ca 0.05 2.06 -0.29 0.00 0.02 0.00 0.00 54.97 56.80 1ure s GLU 63 Cb -0.14 -2.89 -0.12 0.00 0.10 0.00 0.00 34.13 31.08 1ure s GLU 63 CO -0.10 -0.27 1.42 1.28 0.02 0.00 0.00 175.26 177.61 1ure n LEU 64 N 0.45 3.75 -1.98 1.80 4.77 -1.04 -2.22 117.00 122.54 1ure n LEU 64 Ca 0.02 1.18 -0.19 0.00 -0.03 0.00 0.00 56.01 56.99 1ure n LEU 64 Cb 0.44 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 1ure n LEU 64 CO 0.55 -0.26 -0.21 0.61 -1.33 0.00 0.00 177.39 176.75 1ure n GLY 65 N 1.49 0.65 3.10 -0.72 0.00 -1.14 -4.95 105.19 103.62 1ure n GLY 65 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.77 4.09 -0.48 1.61 1.01 -0.94 -5.02 120.40 117.89 1ure s VAL 66 Ca 0.00 -3.49 -0.44 0.00 0.00 0.00 0.00 61.98 58.05 1ure s VAL 66 Cb 0.00 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.61 1ure s VAL 66 CO 0.00 -1.00 1.89 -0.90 0.00 0.00 0.00 175.10 175.09 1ure n ASP 67 N 2.81 0.88 -1.25 3.32 5.75 -1.26 -4.68 116.55 122.12 1ure n ASP 67 Ca 0.16 0.83 0.00 0.00 -0.01 0.00 0.00 54.79 55.77 1ure n ASP 67 Cb 0.38 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 6.10 -1.24 -4.45 2.11 -1.74 -1.22 -4.93 117.46 112.09 1ure n PHE 68 Ca 0.45 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 57.14 1ure n PHE 68 Cb -0.05 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.80 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 -2.00 0.93 -0.19 1.98 0.00 -1.26 -3.76 121.76 117.46 1ure s ALA 69 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1ure s ALA 69 Cb 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.91 1ure s ALA 69 CO 0.00 0.18 0.27 -0.47 0.00 0.00 0.00 175.76 175.73 1ure s TYR 70 N 0.04 -0.43 0.25 0.00 6.14 -0.06 -4.96 117.35 118.33 1ure s TYR 70 Ca -0.01 0.57 -0.08 0.00 0.64 0.00 0.00 57.07 58.19 1ure s TYR 70 Cb -0.07 -0.19 -0.07 0.00 0.42 0.00 0.00 41.96 42.05 1ure s TYR 70 CO 0.00 -0.55 0.55 0.45 0.64 0.00 0.00 175.55 176.64 1ure s SER 71 N 2.40 6.57 0.17 4.32 0.15 -1.26 -1.54 113.70 124.51 1ure s SER 71 Ca 0.06 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1ure s SER 71 Cb -0.15 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1ure s SER 71 CO -0.12 -0.11 0.00 0.18 1.20 0.00 0.00 173.24 174.39 1ure n LEU 72 N -0.37 0.00 -0.17 3.45 4.32 -1.19 -4.88 117.00 118.15 1ure n LEU 72 Ca -0.00 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.12 1ure n LEU 72 Cb 0.53 0.00 0.38 0.00 -1.62 0.00 0.00 43.42 42.70 1ure n LEU 72 CO 0.46 -0.50 0.64 0.00 -1.22 0.00 0.00 177.39 176.77 1ure n ALA 73 N -3.00 3.14 0.00 -1.18 0.00 -1.26 -4.41 120.51 113.80 1ure n ALA 73 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ure n ALA 73 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.89 0.00 0.00 0.00 2.03 -1.26 -4.92 116.55 111.51 1ure n ASP 74 Ca 0.11 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.45 1ure n ASP 74 Cb 0.34 0.16 0.17 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.57 -0.64 0.63 0.27 0.00 -1.26 -4.98 105.19 98.63 1ure n GLY 75 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.40 0.00 -0.95 2.61 -2.24 -1.26 -4.79 114.28 106.25 1ure n THR 76 Ca 0.03 0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.67 1ure n THR 76 Cb 0.07 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ure n GLU 77 N -3.09 0.00 -3.81 -0.78 -0.58 -1.26 -3.17 120.64 107.94 1ure n GLU 77 Ca -0.01 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 1ure n GLU 77 Cb 0.29 -0.79 -0.05 0.00 -0.57 0.00 0.00 31.44 30.33 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 4.41 0.29 -0.30 -4.62 2.96 -0.59 -4.24 118.68 116.60 1ure s LEU 78 Ca 0.42 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.60 1ure s LEU 78 Cb -0.34 1.91 0.15 0.00 0.50 0.00 0.00 46.19 48.41 1ure s LEU 78 CO 0.55 -1.03 0.89 -0.89 -1.32 0.00 0.00 176.35 174.55 1ure s THR 79 N -3.91 -0.64 0.00 3.68 2.01 -0.80 -0.88 115.64 115.10 1ure s THR 79 Ca 0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.12 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 -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1ure n GLY 80 N 5.11 2.11 3.17 4.40 0.00 -1.25 0.45 105.19 119.18 1ure n GLY 80 Ca -0.10 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.12 0.16 -0.24 2.61 -4.23 -0.51 -3.40 115.64 107.92 1ure s THR 81 Ca 0.00 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1ure s THR 81 Cb 0.00 -1.38 0.04 0.00 1.34 0.00 0.00 72.50 72.50 1ure s THR 81 CO 0.00 -0.75 -0.10 0.26 -0.54 0.00 0.00 174.62 173.49 1ure s TRP 82 N -3.86 3.09 -0.02 3.99 0.52 -1.24 -1.10 118.94 120.32 1ure s TRP 82 Ca 0.05 -1.89 0.07 0.00 0.02 0.00 0.00 56.10 54.35 1ure s TRP 82 Cb 0.06 -1.99 -0.02 0.00 -1.15 0.00 0.00 33.47 30.38 1ure s TRP 82 CO -0.11 -0.81 -0.22 -0.08 0.02 0.00 0.00 176.95 175.75 1ure s THR 83 N 1.23 1.76 -0.52 2.01 -1.32 0.27 -2.88 115.64 116.19 1ure s THR 83 Ca -0.03 -0.94 -0.20 0.00 -1.21 0.00 0.00 61.69 59.31 1ure s THR 83 Cb -0.17 -1.47 0.06 0.00 -1.51 0.00 0.00 72.50 69.41 1ure s THR 83 CO -0.06 0.50 0.68 -0.32 -2.21 0.00 0.00 174.62 173.21 1ure s MET 84 N -0.43 3.15 0.00 7.08 1.75 -1.26 0.44 119.30 130.03 1ure s MET 84 Ca 0.06 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 1ure s MET 84 Cb -0.09 -4.10 0.00 0.00 2.84 0.00 0.00 34.83 33.47 1ure s MET 84 CO -0.00 -1.29 0.00 0.39 -0.65 0.00 0.00 175.02 173.47 1ure n GLU 85 N 6.41 3.23 -1.77 4.11 1.02 0.31 -4.76 120.64 129.19 1ure n GLU 85 Ca -0.05 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1ure n GLU 85 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.87 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ure n GLY 86 N 3.16 4.51 0.55 0.62 0.00 -1.26 -4.29 105.19 108.49 1ure n GLY 86 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 4.75 0.00 -4.56 1.61 5.03 -1.26 -5.07 115.26 115.77 1ure n ASN 87 Ca 0.57 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.69 1ure n ASN 87 Cb 0.34 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.98 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ure s LYS 88 N -0.84 2.59 0.04 3.52 3.01 -1.26 -4.60 119.74 122.20 1ure s LYS 88 Ca 0.00 -0.67 -0.07 0.00 -1.01 0.00 0.00 55.97 54.22 1ure s LYS 88 Cb 0.00 -2.49 -0.05 0.00 -1.01 0.00 0.00 37.83 34.28 1ure s LYS 88 CO 0.00 0.63 0.31 -0.51 0.51 0.00 0.00 175.35 176.29 1ure s LEU 89 N -1.06 4.35 -0.09 3.17 1.43 -1.08 0.11 118.68 125.51 1ure s LEU 89 Ca 0.14 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1ure s LEU 89 Cb -0.11 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.30 1ure s LEU 89 CO 0.04 0.21 -0.04 0.68 0.23 0.00 0.00 176.35 177.47 1ure s VAL 90 N -1.37 0.69 -0.91 -1.59 -7.23 0.17 -1.20 120.40 108.96 1ure s VAL 90 Ca 0.31 -0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.27 1ure s VAL 90 Cb -0.13 -0.78 0.24 0.00 0.56 0.00 0.00 36.38 36.26 1ure s VAL 90 CO 0.18 0.31 0.86 -0.83 -0.31 0.00 0.00 175.10 175.32 1ure s GLY 91 N 1.82 2.84 0.20 2.32 0.00 0.19 -0.56 107.32 114.12 1ure s GLY 91 Ca 0.05 -3.48 -0.11 0.00 0.00 0.00 0.00 44.72 41.17 1ure s GLY 91 CO -0.06 1.28 0.55 0.54 0.00 0.00 0.00 173.10 175.40 1ure s LYS 92 N -0.28 3.86 -0.21 2.90 -0.14 -0.26 -1.26 119.74 124.35 1ure s LYS 92 Ca 0.22 0.35 -0.06 0.00 -1.36 0.00 0.00 55.97 55.12 1ure s LYS 92 Cb -0.10 -2.75 0.10 0.00 -1.68 0.00 0.00 37.83 33.40 1ure s LYS 92 CO -0.09 0.38 0.43 -0.06 -0.76 0.00 0.00 175.35 175.25 1ure s PHE 93 N -1.69 -0.86 0.00 3.18 0.08 0.37 -1.42 117.98 117.65 1ure s PHE 93 Ca 0.44 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.94 1ure s PHE 93 Cb -0.13 0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.61 1ure s PHE 93 CO 0.20 -0.54 0.00 1.63 -0.10 0.00 0.00 175.22 176.41 1ure n LYS 94 N 5.39 1.35 -4.18 0.44 5.02 0.17 0.97 118.16 127.32 1ure n LYS 94 Ca -0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 1ure n LYS 94 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 1ure n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ure s ARG 95 N -0.07 0.97 -0.18 1.97 3.52 -1.26 -1.91 118.95 121.99 1ure s ARG 95 Ca 0.00 -1.46 -0.03 0.00 -0.13 0.00 0.00 55.73 54.11 1ure s ARG 95 Cb 0.00 0.07 -0.22 0.00 -1.56 0.00 0.00 34.95 33.23 1ure s ARG 95 CO 0.00 -0.21 0.12 0.28 -0.81 0.00 0.00 175.30 174.68 1ure n VAL 96 N -0.13 1.66 -0.00 7.11 0.31 -1.26 -1.60 118.33 124.42 1ure n VAL 96 Ca -0.06 -0.62 0.18 0.00 -0.01 0.00 0.00 64.34 63.83 1ure n VAL 96 Cb 0.63 -1.61 0.66 0.00 -0.91 0.00 0.00 33.84 32.61 1ure n VAL 96 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ure h ASP 97 N 0.04 0.06 0.00 4.52 3.32 -1.97 -3.37 116.42 119.02 1ure h ASP 97 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1ure h ASP 97 Cb 1.98 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1ure h ASP 97 CO 0.02 0.04 0.00 -0.46 -1.72 0.00 0.00 179.24 177.11 1ure n ASN 98 N -4.41 0.00 -2.96 6.45 6.94 -1.26 -5.12 115.26 114.91 1ure n ASN 98 Ca 0.09 -1.00 -0.09 0.00 -0.02 0.00 0.00 54.58 53.57 1ure n ASN 98 Cb 0.54 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ure n GLY 99 N 0.00 -1.96 0.00 4.83 0.00 -0.62 -4.95 105.19 102.49 1ure n GLY 99 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 0.31 0.00 -3.62 1.61 4.76 -1.26 -4.79 118.16 115.18 1ure n LYS 100 Ca 0.03 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 1ure n LYS 100 Cb 0.34 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.51 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ure s GLU 101 N 2.14 0.16 -0.29 1.97 2.12 -1.20 -4.53 118.70 119.06 1ure s GLU 101 Ca 0.00 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.26 1ure s GLU 101 Cb 0.00 0.07 0.18 0.00 0.26 0.00 0.00 34.13 34.64 1ure s GLU 101 CO 0.00 -0.07 0.56 -1.17 -0.54 0.00 0.00 175.26 174.04 1ure s LEU 102 N -2.29 -1.26 0.13 2.70 2.96 0.27 -4.07 118.68 117.12 1ure s LEU 102 Ca 0.12 0.69 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1ure s LEU 102 Cb 0.01 1.95 -0.04 0.00 0.50 0.00 0.00 46.19 48.61 1ure s LEU 102 CO -0.04 -0.27 0.29 -0.51 -1.32 0.00 0.00 176.35 174.50 1ure s ILE 103 N 2.80 5.31 -0.12 6.68 2.07 0.46 0.14 121.20 138.53 1ure s ILE 103 Ca 0.19 -0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 58.70 1ure s ILE 103 Cb -0.15 -3.69 0.08 0.00 0.13 0.00 0.00 42.46 38.83 1ure s ILE 103 CO -0.21 -0.01 0.73 0.00 -1.91 0.00 0.00 174.94 173.54 1ure s ALA 104 N -1.68 -1.79 -0.27 1.50 0.00 -0.39 -0.59 121.76 118.55 1ure s ALA 104 Ca 0.36 1.53 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1ure s ALA 104 Cb -0.12 -0.39 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1ure s ALA 104 CO 0.28 -0.35 0.10 0.08 0.00 0.00 0.00 175.76 175.87 1ure s VAL 105 N -0.76 0.26 -1.03 0.00 1.01 -1.16 0.54 120.40 119.28 1ure s VAL 105 Ca -0.07 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1ure s VAL 105 Cb -0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1ure s VAL 105 CO 0.07 -0.60 1.99 -0.13 0.00 0.00 0.00 175.10 176.44 1ure s ARG 106 N 1.94 2.33 -1.34 2.72 0.52 -0.34 -4.14 118.95 120.64 1ure s ARG 106 Ca 0.07 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.51 1ure s ARG 106 Cb -0.16 -5.11 0.05 0.00 0.52 0.00 0.00 34.95 30.25 1ure s ARG 106 CO -0.27 -3.90 1.92 -1.91 0.02 0.00 0.00 175.30 171.15 1ure n GLU 107 N 8.56 3.00 -1.77 3.54 2.13 -0.40 -2.65 120.64 133.04 1ure n GLU 107 Ca 0.43 -3.00 -0.42 0.00 0.66 0.00 0.00 57.16 54.83 1ure n GLU 107 Cb 0.46 -3.42 -0.03 0.00 0.27 0.00 0.00 31.44 28.72 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 4.09 2.89 -1.64 6.31 1.01 -1.25 -3.81 121.20 128.80 1ure s ILE 108 Ca 0.52 0.19 0.20 0.00 0.00 0.00 0.00 60.65 61.56 1ure s ILE 108 Cb 0.07 -3.13 0.59 0.00 0.01 0.00 0.00 42.46 40.01 1ure s ILE 108 CO 0.02 -0.01 1.49 -1.20 0.00 0.00 0.00 174.94 175.25 1ure n SER 109 N 6.38 3.84 0.00 3.58 7.64 -1.08 -4.94 113.62 129.05 1ure n SER 109 Ca 0.18 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1ure n SER 109 Cb 0.40 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.33 2.90 0.60 0.23 0.00 -1.26 -4.77 105.19 104.22 1ure n GLY 110 Ca 0.22 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.47 1ure n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 111 N 0.03 2.96 -3.36 1.61 3.02 -1.26 -4.60 115.26 113.67 1ure n ASN 111 Ca 0.00 -3.22 -0.14 0.00 -0.03 0.00 0.00 54.58 51.20 1ure n ASN 111 Cb 0.00 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.58 1ure n ASN 111 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ure s GLU 112 N -2.94 0.38 -0.66 3.52 -1.05 -1.26 -2.56 118.70 114.13 1ure s GLU 112 Ca 0.38 -0.05 -0.25 0.00 -0.15 0.00 0.00 54.97 54.90 1ure s GLU 112 Cb 0.33 -0.50 0.05 0.00 -0.44 0.00 0.00 34.13 33.57 1ure s GLU 112 CO 0.04 -1.04 1.10 -1.17 0.95 0.00 0.00 175.26 175.14 1ure s LEU 113 N 2.41 3.79 -0.26 1.83 0.20 -1.20 -2.62 118.68 122.83 1ure s LEU 113 Ca 0.10 -0.57 -0.07 0.00 0.69 0.00 0.00 54.13 54.27 1ure s LEU 113 Cb -0.13 -2.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 1ure s LEU 113 CO -0.31 -1.56 0.06 -0.63 -0.29 0.00 0.00 176.35 173.63 1ure s ILE 114 N 4.75 4.14 0.24 6.68 1.01 -1.25 -2.99 121.20 133.78 1ure s ILE 114 Ca 0.30 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1ure s ILE 114 Cb -0.12 -2.98 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 1ure s ILE 114 CO 0.15 0.28 0.58 -1.10 0.00 0.00 0.00 174.94 174.85 1ure s GLN 115 N 1.57 3.85 0.37 2.79 -0.21 0.83 -1.28 119.66 127.59 1ure s GLN 115 Ca 0.05 0.36 -0.16 0.00 0.02 0.00 0.00 55.36 55.64 1ure s GLN 115 Cb -0.16 -2.62 0.06 0.00 1.00 0.00 0.00 33.01 31.29 1ure s GLN 115 CO 0.03 0.30 0.81 0.95 -2.12 0.00 0.00 175.29 175.26 1ure s THR 116 N -1.83 0.00 0.00 -0.19 -4.23 -1.26 0.25 115.64 108.38 1ure s THR 116 Ca 0.48 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ure s THR 116 Cb -0.11 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1ure s THR 116 CO 0.20 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 173.06 1ure n TYR 117 N -0.55 0.00 -4.18 3.99 4.01 -1.13 -2.97 117.16 116.33 1ure n TYR 117 Ca -0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 1ure n TYR 117 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.00 0.00 0.09 -0.72 5.66 0.24 0.31 114.28 119.86 1ure n THR 118 Ca 0.00 -1.03 0.01 0.00 -3.05 0.00 0.00 64.05 59.98 1ure n THR 118 Cb 0.00 0.42 0.01 0.00 -1.55 0.00 0.00 70.33 69.21 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 -0.35 0.01 0.00 1.09 9.36 -1.26 0.17 117.16 126.18 1ure n TYR 119 Ca -0.00 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1ure n TYR 119 Cb 0.26 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 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 0.11 0.00 -1.85 2.98 2.13 -1.26 -4.22 120.64 118.52 1ure n GLU 120 Ca 0.02 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.86 1ure n GLU 120 Cb 0.08 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.82 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ure n GLY 121 N -0.38 1.48 2.59 8.31 0.00 -1.26 -4.95 105.19 110.98 1ure n GLY 121 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.28 -0.14 1.41 1.61 1.01 -1.26 -5.11 120.40 116.64 1ure s VAL 122 Ca 0.32 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 1ure s VAL 122 Cb 0.37 -0.94 0.36 0.00 0.00 0.00 0.00 36.38 36.17 1ure s VAL 122 CO -0.13 -0.63 0.81 -0.62 0.00 0.00 0.00 175.10 174.54 1ure n GLU 123 N 5.27 -4.59 -2.71 2.72 4.71 -1.25 -4.04 120.64 120.75 1ure n GLU 123 Ca -0.05 -1.37 -0.05 0.00 -0.01 0.00 0.00 57.16 55.68 1ure n GLU 123 Cb 0.44 -1.83 0.04 0.00 -1.01 0.00 0.00 31.44 29.08 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ure n ALA 124 N -5.68 -2.69 -1.70 0.62 0.00 0.90 -3.49 120.51 108.46 1ure n ALA 124 Ca -0.19 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.23 1ure n ALA 124 Cb 0.56 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.71 1ure n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ure n LYS 125 N 2.32 1.73 -3.19 0.00 4.01 -1.26 -2.83 118.16 118.93 1ure n LYS 125 Ca 0.11 0.62 -0.21 0.00 -0.51 0.00 0.00 58.31 58.33 1ure n LYS 125 Cb 0.63 -2.42 -0.06 0.00 -0.51 0.00 0.00 35.03 32.66 1ure n LYS 125 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ure n ARG 126 N -0.44 0.40 -2.63 1.97 1.74 0.68 -2.07 116.66 116.31 1ure n ARG 126 Ca 0.09 -2.89 -0.42 0.00 -0.77 0.00 0.00 57.85 53.86 1ure n ARG 126 Cb 0.42 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.04 4.66 0.02 0.55 -1.09 0.39 -0.12 121.20 125.57 1ure s ILE 127 Ca 0.33 1.91 0.03 0.00 -2.23 0.00 0.00 60.65 60.69 1ure s ILE 127 Cb 0.08 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1ure s ILE 127 CO -0.16 0.10 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.26 1ure s PHE 128 N 1.34 2.95 -0.29 3.97 0.40 -1.16 0.14 117.98 125.33 1ure s PHE 128 Ca 0.53 -0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.94 1ure s PHE 128 Cb -0.22 -1.61 0.51 0.00 0.51 0.00 0.00 43.02 42.21 1ure s PHE 128 CO 0.25 0.42 1.47 1.63 0.70 0.00 0.00 175.22 179.69 1ure n LYS 129 N 1.34 1.90 -2.96 0.44 5.02 -1.26 -3.28 118.16 119.36 1ure n LYS 129 Ca -0.14 -3.17 -0.02 0.00 -2.02 0.00 0.00 58.31 52.96 1ure n LYS 129 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1ure n LYS 129 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ure n LYS 130 N -1.09 -1.97 0.00 1.97 4.81 -1.06 -4.76 118.16 116.06 1ure n LYS 130 Ca 0.33 1.82 0.00 0.00 -0.87 0.00 0.00 58.31 59.59 1ure n LYS 130 Cb 1.04 -3.32 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96