#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 -1.20 -3.47 0.00 -1.74 -1.26 -4.95 117.46 104.85 1ure n PHE 2 Ca 0.00 0.23 -0.23 0.00 -0.56 0.00 0.00 57.45 56.88 1ure n PHE 2 Cb 0.00 -2.50 -0.12 0.00 1.52 0.00 0.00 39.48 38.37 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 -3.89 2.61 0.00 5.98 -1.08 -1.26 -4.81 116.67 114.22 1ure s ASP 3 Ca 0.29 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1ure s ASP 3 Cb -0.16 0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.37 1ure s ASP 3 CO 0.89 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 176.78 1ure n GLY 4 N 5.26 -0.18 3.30 2.66 0.00 0.12 -4.97 105.19 111.39 1ure n GLY 4 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.25 -0.07 2.61 -1.32 -1.26 0.25 115.64 116.10 1ure s THR 5 Ca 0.00 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.17 1ure s THR 5 Cb 0.00 -2.52 0.08 0.00 -1.51 0.00 0.00 72.50 68.55 1ure s THR 5 CO 0.00 0.00 0.73 0.26 -2.21 0.00 0.00 174.62 173.40 1ure s TRP 6 N -3.72 -0.61 -0.28 9.09 0.52 0.25 -2.85 118.94 121.35 1ure s TRP 6 Ca 0.37 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.53 1ure s TRP 6 Cb 0.05 0.42 0.15 0.00 -1.15 0.00 0.00 33.47 32.95 1ure s TRP 6 CO 0.17 -0.57 0.40 0.21 0.02 0.00 0.00 176.95 177.18 1ure s LYS 7 N -1.22 0.40 0.24 4.98 2.20 -1.26 0.14 119.74 125.22 1ure s LYS 7 Ca -0.09 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1ure s LYS 7 Cb -0.00 -0.34 -0.15 0.00 -1.51 0.00 0.00 37.83 35.82 1ure s LYS 7 CO 0.08 -0.93 0.90 1.55 -0.36 0.00 0.00 175.35 176.59 1ure n VAL 8 N 5.36 1.79 -2.02 4.02 3.14 -1.05 -3.35 118.33 126.22 1ure n VAL 8 Ca -0.01 -0.45 -0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1ure n VAL 8 Cb 0.49 -0.68 -0.00 0.00 -1.06 0.00 0.00 33.84 32.59 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 1.56 -0.04 0.00 6.55 2.03 -0.57 -4.80 116.55 121.28 1ure n ASP 9 Ca 0.13 -1.40 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1ure n ASP 9 Cb 0.28 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1ure n ASP 9 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ure n ARG 10 N 0.02 0.00 -0.50 -0.67 1.85 -1.20 -5.06 116.66 111.09 1ure n ARG 10 Ca -0.02 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.90 1ure n ARG 10 Cb 0.60 -0.01 -0.02 0.00 -1.05 0.00 0.00 32.46 31.98 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 -2.45 -4.25 0.00 2.89 4.13 -1.26 -4.94 115.26 109.38 1ure n ASN 11 Ca 0.00 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.79 1ure n ASN 11 Cb 0.00 -1.64 0.00 0.00 -1.54 0.00 0.00 39.78 36.60 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 -2.02 0.00 -0.39 3.52 4.07 0.33 -4.78 120.64 121.37 1ure n GLU 12 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 1ure n GLU 12 Cb 0.23 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.80 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 -0.46 3.06 0.08 4.31 5.15 -1.26 -4.53 115.26 121.61 1ure n ASN 13 Ca 0.00 -2.37 0.07 0.00 -0.60 0.00 0.00 54.58 51.68 1ure n ASN 13 Cb 0.00 -0.52 0.51 0.00 -0.53 0.00 0.00 39.78 39.24 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 2.00 0.32 0.00 1.20 3.20 -1.78 -2.57 116.97 119.34 1ure h TYR 14 Ca 0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 1ure h TYR 14 Cb 1.09 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1ure h TYR 14 CO 0.48 0.19 -0.75 0.93 -1.64 0.00 0.00 178.16 177.38 1ure h GLU 15 N 0.34 0.00 0.00 1.82 4.39 -1.92 -3.13 114.58 116.08 1ure h GLU 15 Ca 0.12 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1ure h GLU 15 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1ure h GLU 15 CO -0.03 0.75 -0.36 0.87 -1.16 0.00 0.00 179.01 179.08 1ure h LYS 16 N 0.00 0.00 0.00 2.33 1.57 -1.86 -3.14 116.57 115.47 1ure h LYS 16 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ure h LYS 16 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1ure h LYS 16 CO 0.10 0.36 -0.04 0.35 -0.57 0.00 0.00 179.45 179.65 1ure h PHE 17 N 0.00 0.00 -0.05 -1.35 3.57 -1.41 -3.12 116.94 114.59 1ure h PHE 17 Ca -0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1ure h PHE 17 Cb 1.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1ure h PHE 17 CO 0.00 0.04 -0.81 0.52 -2.23 0.00 0.00 178.31 175.83 1ure h MET 18 N 0.00 0.39 0.00 1.11 0.00 -1.56 -2.17 114.93 112.70 1ure h MET 18 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 59.70 59.27 1ure h MET 18 Cb 0.99 0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.66 1ure h MET 18 CO 0.00 1.01 -0.36 1.49 0.00 0.00 0.00 176.91 179.05 1ure h GLU 19 N 0.25 0.00 0.00 1.72 4.81 -1.60 0.57 114.58 120.33 1ure h GLU 19 Ca -0.05 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1ure h GLU 19 Cb 1.41 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1ure h GLU 19 CO 0.14 0.36 -0.97 -0.22 -0.73 0.00 0.00 179.01 177.59 1ure h LYS 20 N 0.00 0.00 0.00 1.92 1.63 -1.50 -3.23 116.57 115.39 1ure h LYS 20 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1ure h LYS 20 Cb 0.92 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 1ure h LYS 20 CO 0.05 0.97 -0.70 0.52 -3.45 0.00 0.00 179.45 176.83 1ure h MET 21 N 0.00 0.00 0.00 1.90 2.86 -1.24 -3.47 114.93 114.98 1ure h MET 21 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ure h MET 21 Cb 1.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.40 1ure h MET 21 CO 0.13 0.70 0.00 0.41 1.06 0.00 0.00 176.91 179.21 1ure n GLY 22 N 0.72 0.91 3.77 8.32 0.00 -0.89 -4.96 105.19 113.05 1ure n GLY 22 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ure n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ure s ILE 23 N -1.50 5.02 0.08 -0.61 -1.09 0.19 -4.92 121.20 118.37 1ure s ILE 23 Ca 0.00 1.06 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 1ure s ILE 23 Cb 0.00 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1ure s ILE 23 CO 0.00 0.42 1.02 0.20 -1.23 0.00 0.00 174.94 175.36 1ure s ASN 24 N -0.13 7.36 0.00 3.58 0.02 -1.26 -4.54 114.94 119.97 1ure s ASN 24 Ca 0.28 1.83 0.00 0.00 -1.02 0.00 0.00 52.86 53.95 1ure s ASN 24 Cb -0.17 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.52 1ure s ASN 24 CO 0.14 -0.21 0.00 0.52 0.02 0.00 0.00 177.10 177.57 1ure n VAL 25 N 3.25 0.00 0.14 1.60 0.31 -1.26 0.12 118.33 122.49 1ure n VAL 25 Ca 0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.13 1ure n VAL 25 Cb 0.49 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.26 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ure h VAL 26 N 0.00 1.29 0.00 2.52 2.07 -2.01 -3.33 116.25 116.80 1ure h VAL 26 Ca 0.00 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.85 1ure h VAL 26 Cb 0.00 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1ure h VAL 26 CO 0.00 0.80 -0.01 0.50 0.02 0.00 0.00 177.57 178.88 1ure h LYS 27 N 0.15 0.00 0.01 1.57 3.64 0.60 -1.15 116.57 121.38 1ure h LYS 27 Ca -0.25 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.94 1ure h LYS 27 Cb 2.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.93 1ure h LYS 27 CO 0.27 0.01 -0.88 0.07 -2.27 0.00 0.00 179.45 176.66 1ure h ARG 28 N 0.00 0.06 0.00 1.90 0.11 -1.63 -2.70 114.38 112.12 1ure h ARG 28 Ca -0.00 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 59.86 1ure h ARG 28 Cb 0.04 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1ure h ARG 28 CO 0.00 0.89 -0.71 -0.22 0.10 0.00 0.00 179.97 180.04 1ure h LYS 29 N 0.03 0.00 0.01 0.08 3.64 -1.40 -3.06 116.57 115.87 1ure h LYS 29 Ca -0.02 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1ure h LYS 29 Cb 1.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1ure h LYS 29 CO 0.12 0.71 -0.92 -0.07 -2.27 0.00 0.00 179.45 177.01 1ure h LEU 30 N 0.00 0.41 -1.12 5.20 -0.00 -1.22 -2.73 115.31 115.85 1ure h LEU 30 Ca -0.01 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.48 1ure h LEU 30 Cb 1.33 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1ure h LEU 30 CO 0.09 1.14 -0.28 1.23 -0.00 0.00 0.00 178.44 180.62 1ure h GLY 31 N 1.51 0.00 1.65 0.83 0.00 -1.45 -2.51 103.07 103.10 1ure h GLY 31 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 1ure h GLY 31 CO 0.15 0.00 -1.03 0.00 0.00 0.00 0.00 176.54 175.66 1ure h ALA 32 N 1.72 0.31 -0.53 3.60 0.00 -1.50 -3.29 119.26 119.57 1ure h ALA 32 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 1ure h ALA 32 Cb 0.76 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ure h ALA 32 CO 0.04 0.91 0.07 1.58 0.00 0.00 0.00 179.25 181.85 1ure n HIS 33 N -3.63 1.86 0.16 0.00 -0.00 -1.04 -4.66 115.22 107.91 1ure n HIS 33 Ca -0.06 -0.94 0.01 0.00 -0.00 0.00 0.00 57.72 56.72 1ure n HIS 33 Cb 0.90 -0.51 0.28 0.00 -0.00 0.00 0.00 29.99 30.65 1ure n HIS 33 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1ure h ASP 34 N 2.92 0.00 -0.44 0.26 3.32 -1.53 -3.45 116.42 117.50 1ure h ASP 34 Ca 0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1ure h ASP 34 Cb 1.94 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.48 1ure h ASP 34 CO 0.49 0.48 -0.09 0.59 -1.72 0.00 0.00 179.24 178.99 1ure n ASN 35 N -3.94 -2.19 -4.51 6.45 5.03 -1.26 0.15 115.26 114.98 1ure n ASN 35 Ca -0.01 0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.22 1ure n ASN 35 Cb 0.50 -1.27 -0.18 0.00 -1.02 0.00 0.00 39.78 37.81 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 -0.50 -0.46 -4.39 3.41 0.00 -1.26 -4.49 117.00 109.31 1ure n LEU 36 Ca -0.04 -0.65 -0.45 0.00 0.00 0.00 0.00 56.01 54.87 1ure n LEU 36 Cb 0.44 -0.84 -0.06 0.00 0.00 0.00 0.00 43.42 42.96 1ure n LEU 36 CO 0.05 -1.60 0.21 -0.75 0.00 0.00 0.00 177.39 175.31 1ure s LYS 37 N 7.68 3.03 0.17 1.96 2.20 -1.24 -2.52 119.74 131.02 1ure s LYS 37 Ca 1.23 -1.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 1ure s LYS 37 Cb -0.73 -4.18 -0.07 0.00 -1.51 0.00 0.00 37.83 31.34 1ure s LYS 37 CO 0.45 -1.24 0.52 -0.51 -0.36 0.00 0.00 175.35 174.21 1ure s LEU 38 N 2.12 4.26 -0.29 5.43 1.02 0.38 -1.07 118.68 130.54 1ure s LEU 38 Ca 0.08 0.95 0.00 0.00 0.02 0.00 0.00 54.13 55.18 1ure s LEU 38 Cb -0.24 -3.40 0.09 0.00 0.02 0.00 0.00 46.19 42.65 1ure s LEU 38 CO 0.07 0.04 0.05 -0.89 0.02 0.00 0.00 176.35 175.64 1ure s THR 39 N -1.61 1.18 -0.28 5.49 2.01 0.44 0.88 115.64 123.75 1ure s THR 39 Ca 0.41 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 1ure s THR 39 Cb -0.13 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1ure s THR 39 CO 0.20 -0.50 0.52 -0.63 -0.69 0.00 0.00 174.62 173.52 1ure s ILE 40 N 1.49 5.06 -0.42 1.82 1.01 0.14 -1.89 121.20 128.41 1ure s ILE 40 Ca 0.06 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.55 1ure s ILE 40 Cb -0.18 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.55 1ure s ILE 40 CO -0.17 0.03 0.15 -0.89 0.00 0.00 0.00 174.94 174.07 1ure s THR 41 N 2.34 2.44 -0.08 2.92 2.01 -0.76 0.15 115.64 124.65 1ure s THR 41 Ca 0.21 -2.80 -0.30 0.00 0.31 0.00 0.00 61.69 59.11 1ure s THR 41 Cb -0.16 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 1ure s THR 41 CO 0.10 -0.69 1.06 -1.58 -0.69 0.00 0.00 174.62 172.82 1ure s GLN 42 N 0.35 4.41 -0.28 4.92 2.00 -1.26 -1.09 119.66 128.71 1ure s GLN 42 Ca 0.14 1.48 -0.03 0.00 -2.00 0.00 0.00 55.36 54.94 1ure s GLN 42 Cb -0.22 -3.54 0.16 0.00 0.80 0.00 0.00 33.01 30.21 1ure s GLN 42 CO -0.04 -0.34 0.56 -2.00 -0.50 0.00 0.00 175.29 172.97 1ure s GLU 43 N 1.99 0.52 -1.47 1.67 2.12 0.14 -4.89 118.70 118.78 1ure s GLU 43 Ca 0.51 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.76 1ure s GLU 43 Cb -0.20 0.45 0.06 0.00 0.26 0.00 0.00 34.13 34.69 1ure s GLU 43 CO 0.20 -0.51 0.95 0.41 -0.54 0.00 0.00 175.26 175.76 1ure n GLY 44 N 5.42 -0.46 3.35 -1.50 0.00 -1.26 -0.45 105.19 110.29 1ure n GLY 44 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ure n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 45 N -2.90 0.00 -4.78 1.61 3.02 -1.26 -4.99 115.26 105.96 1ure n ASN 45 Ca -0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.15 1ure n ASN 45 Cb 0.56 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ure s LYS 46 N -0.08 4.39 -0.57 3.52 2.20 0.41 -2.81 119.74 126.80 1ure s LYS 46 Ca 0.00 1.53 0.04 0.00 -0.36 0.00 0.00 55.97 57.17 1ure s LYS 46 Cb 0.00 -2.76 0.14 0.00 -1.51 0.00 0.00 37.83 33.70 1ure s LYS 46 CO 0.00 0.06 0.32 -0.06 -0.36 0.00 0.00 175.35 175.31 1ure s PHE 47 N -1.53 3.28 -0.01 4.03 0.40 -1.19 0.25 117.98 123.21 1ure s PHE 47 Ca 0.53 -3.19 -0.30 0.00 -0.60 0.00 0.00 56.93 53.36 1ure s PHE 47 Cb -0.23 -2.82 -0.08 0.00 0.51 0.00 0.00 43.02 40.40 1ure s PHE 47 CO 0.30 -0.70 1.97 0.95 0.70 0.00 0.00 175.22 178.43 1ure s THR 48 N -0.55 3.08 -0.93 0.64 -4.23 -0.25 -3.25 115.64 110.17 1ure s THR 48 Ca 0.19 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1ure s THR 48 Cb -0.21 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.80 1ure s THR 48 CO -0.04 -0.02 0.88 0.54 -0.54 0.00 0.00 174.62 175.44 1ure s VAL 49 N 4.96 5.59 -0.61 2.29 0.11 -1.26 -1.84 120.40 129.64 1ure s VAL 49 Ca 0.88 -2.93 -0.28 0.00 -2.93 0.00 0.00 61.98 56.73 1ure s VAL 49 Cb -0.40 -4.42 0.02 0.00 -1.53 0.00 0.00 36.38 30.05 1ure s VAL 49 CO 0.39 -1.08 1.37 -0.75 -3.33 0.00 0.00 175.10 171.71 1ure s LYS 50 N -0.46 3.27 -0.89 1.54 2.20 -0.79 -2.02 119.74 122.58 1ure s LYS 50 Ca 0.23 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.94 1ure s LYS 50 Cb -0.10 -4.14 0.18 0.00 -1.51 0.00 0.00 37.83 32.26 1ure s LYS 50 CO -0.08 -2.00 0.95 -2.00 -0.36 0.00 0.00 175.35 171.85 1ure s GLU 51 N 5.57 3.63 -1.13 4.03 2.12 -1.24 -0.42 118.70 131.27 1ure s GLU 51 Ca 0.47 -2.20 -0.06 0.00 0.36 0.00 0.00 54.97 53.55 1ure s GLU 51 Cb -0.10 -4.65 0.06 0.00 0.26 0.00 0.00 34.13 29.70 1ure s GLU 51 CO 0.22 -1.50 2.62 0.43 -0.54 0.00 0.00 175.26 176.49 1ure n SER 52 N 5.05 7.70 -4.89 -1.70 7.64 -0.23 -3.20 113.62 123.99 1ure n SER 52 Ca 0.19 -3.04 -0.29 0.00 1.01 0.00 0.00 58.87 56.74 1ure n SER 52 Cb 0.48 -1.37 0.01 0.00 -1.01 0.00 0.00 64.21 62.31 1ure n SER 52 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ure s SER 53 N 0.72 6.22 0.48 6.43 1.04 -1.21 -3.70 113.70 123.68 1ure s SER 53 Ca 0.58 1.20 0.26 0.00 0.48 0.00 0.00 55.95 58.47 1ure s SER 53 Cb 0.23 -2.36 1.31 0.00 0.10 0.00 0.00 66.02 65.30 1ure s SER 53 CO -0.11 -0.76 1.85 -1.13 0.98 0.00 0.00 173.24 174.06 1ure h ASN 54 N -0.10 0.20 0.07 7.02 -1.24 0.11 -0.92 115.58 120.72 1ure h ASN 54 Ca -0.45 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.58 1ure h ASN 54 Cb 1.20 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1ure h ASN 54 CO 0.62 0.06 -0.03 -0.26 -1.29 0.00 0.00 177.43 176.53 1ure h PHE 55 N 0.19 -0.08 -1.19 0.67 0.04 -1.92 -3.47 116.94 111.18 1ure h PHE 55 Ca 0.49 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.45 1ure h PHE 55 Cb 1.59 0.03 -0.27 0.00 2.20 0.00 0.00 35.95 39.50 1ure h PHE 55 CO -0.00 0.07 0.84 0.50 -0.60 0.00 0.00 178.31 179.12 1ure s ARG 56 N -5.64 0.20 -1.07 1.51 3.52 -0.35 -5.05 118.95 112.07 1ure s ARG 56 Ca -0.14 0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.40 1ure s ARG 56 Cb 0.05 0.10 0.21 0.00 -1.56 0.00 0.00 34.95 33.74 1ure s ARG 56 CO 0.65 -0.06 1.15 0.54 -0.81 0.00 0.00 175.30 176.78 1ure s ASN 57 N -0.90 7.05 -0.47 -2.12 4.22 -1.25 -3.31 114.94 118.16 1ure s ASN 57 Ca 0.06 -3.03 -0.10 0.00 -2.14 0.00 0.00 52.86 47.65 1ure s ASN 57 Cb -0.01 -2.30 0.11 0.00 1.28 0.00 0.00 41.25 40.33 1ure s ASN 57 CO -0.06 -0.59 0.35 -0.51 -2.04 0.00 0.00 177.10 174.24 1ure s ILE 58 N 0.43 4.39 0.32 0.54 1.10 -1.20 -4.96 121.20 121.83 1ure s ILE 58 Ca 0.32 -1.62 -0.29 0.00 -0.51 0.00 0.00 60.65 58.55 1ure s ILE 58 Cb -0.07 -3.82 -0.12 0.00 0.15 0.00 0.00 42.46 38.60 1ure s ILE 58 CO -0.06 -0.71 1.48 -0.67 -2.11 0.00 0.00 174.94 172.87 1ure n ASP 59 N 4.97 3.48 -0.02 4.50 -0.08 -1.26 -3.65 116.55 124.48 1ure n ASP 59 Ca -0.09 1.18 -0.02 0.00 -1.51 0.00 0.00 54.79 54.35 1ure n ASP 59 Cb 0.41 -1.56 -0.01 0.00 2.34 0.00 0.00 41.12 42.31 1ure n ASP 59 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ure n VAL 60 N 1.33 0.33 -0.43 5.18 0.31 -0.86 -4.91 118.33 119.29 1ure n VAL 60 Ca 0.06 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1ure n VAL 60 Cb 0.36 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.93 -2.12 -3.17 2.52 0.24 -1.24 -4.83 118.33 106.80 1ure n VAL 61 Ca -0.03 0.62 0.05 0.00 -2.04 0.00 0.00 64.34 62.94 1ure n VAL 61 Cb 0.11 -1.28 -0.02 0.00 -1.47 0.00 0.00 33.84 31.18 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1ure s PHE 62 N -1.69 -0.88 0.11 6.34 -0.71 -1.20 -4.92 117.98 115.04 1ure s PHE 62 Ca 0.00 0.97 -0.31 0.00 -1.04 0.00 0.00 56.93 56.55 1ure s PHE 62 Cb 0.00 0.32 -0.10 0.00 -1.21 0.00 0.00 43.02 42.04 1ure s PHE 62 CO 0.00 -0.48 1.75 -1.21 -1.34 0.00 0.00 175.22 173.95 1ure s GLU 63 N 2.89 4.16 -0.07 1.99 2.02 -1.26 -3.14 118.70 125.29 1ure s GLU 63 Ca 0.06 2.50 -0.38 0.00 0.02 0.00 0.00 54.97 57.16 1ure s GLU 63 Cb -0.11 -3.55 -0.16 0.00 0.10 0.00 0.00 34.13 30.41 1ure s GLU 63 CO -0.15 -0.79 1.52 1.28 0.02 0.00 0.00 175.26 177.15 1ure n LEU 64 N 5.49 1.99 -0.12 1.80 4.32 -1.12 -0.91 117.00 128.44 1ure n LEU 64 Ca 0.17 1.10 -0.02 0.00 -0.02 0.00 0.00 56.01 57.24 1ure n LEU 64 Cb 0.39 -1.17 -0.01 0.00 -1.62 0.00 0.00 43.42 41.01 1ure n LEU 64 CO 0.64 -0.76 -0.02 0.61 -1.22 0.00 0.00 177.39 176.64 1ure n GLY 65 N 3.28 0.47 0.00 -0.72 0.00 0.41 -4.97 105.19 103.65 1ure n GLY 65 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.71 0.00 0.00 1.61 0.31 -0.09 -4.92 118.33 112.53 1ure n VAL 66 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ure n VAL 66 Cb 0.17 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1ure n VAL 66 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ure n ASP 67 N 0.00 0.00 -3.98 4.52 2.03 -1.26 -4.86 116.55 113.00 1ure n ASP 67 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1ure n ASP 67 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1ure s PHE 68 N -0.01 1.62 -0.06 -0.67 -0.71 -1.16 -4.98 117.98 112.01 1ure s PHE 68 Ca 0.00 -1.37 0.01 0.00 -1.04 0.00 0.00 56.93 54.53 1ure s PHE 68 Cb 0.00 -0.88 0.02 0.00 -1.21 0.00 0.00 43.02 40.95 1ure s PHE 68 CO 0.00 -0.51 -0.06 0.00 -1.34 0.00 0.00 175.22 173.31 1ure s ALA 69 N -3.57 0.89 -0.25 1.99 0.00 -1.26 -2.97 121.76 116.58 1ure s ALA 69 Ca 0.35 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 1ure s ALA 69 Cb 0.05 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.71 1ure s ALA 69 CO 0.18 -0.08 0.58 -0.47 0.00 0.00 0.00 175.76 175.97 1ure s TYR 70 N 1.07 -1.03 0.84 0.00 5.04 0.26 -4.98 117.35 118.54 1ure s TYR 70 Ca -0.08 1.95 -0.13 0.00 -2.44 0.00 0.00 57.07 56.37 1ure s TYR 70 Cb -0.14 0.57 0.07 0.00 0.35 0.00 0.00 41.96 42.81 1ure s TYR 70 CO -0.01 -0.53 0.99 0.45 -1.34 0.00 0.00 175.55 175.11 1ure n SER 71 N 4.84 0.16 -1.25 4.32 2.88 -1.26 -1.96 113.62 121.35 1ure n SER 71 Ca -0.16 0.52 0.11 0.00 -1.33 0.00 0.00 58.87 58.01 1ure n SER 71 Cb 0.54 -1.42 0.29 0.00 -0.75 0.00 0.00 64.21 62.87 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 -2.76 3.79 0.00 2.46 4.77 -1.20 -4.79 117.00 119.28 1ure n LEU 72 Ca 0.12 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 1ure n LEU 72 Cb 0.51 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ure n LEU 72 CO 0.49 0.94 0.00 0.00 -1.33 0.00 0.00 177.39 177.49 1ure n ALA 73 N 1.49 0.00 0.02 -1.18 0.00 -1.26 -4.22 120.51 115.35 1ure n ALA 73 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ure n ALA 73 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 -0.33 0.00 0.00 2.03 -1.26 -4.93 116.55 112.06 1ure n ASP 74 Ca 0.00 0.09 0.06 0.00 0.52 0.00 0.00 54.79 55.45 1ure n ASP 74 Cb 0.00 0.64 0.28 0.00 -0.72 0.00 0.00 41.12 41.32 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 -1.35 -0.72 0.10 0.27 0.00 -1.26 -4.98 105.19 97.25 1ure n GLY 75 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.33 -0.05 -1.25 2.61 -1.04 -1.26 -4.79 114.28 107.17 1ure n THR 76 Ca 0.05 0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 1ure n THR 76 Cb 0.10 -0.09 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ure n GLU 77 N -2.32 0.00 -3.68 -2.82 1.02 -1.26 -3.24 120.64 108.34 1ure n GLU 77 Ca -0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 1ure n GLU 77 Cb 0.05 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ure s LEU 78 N 6.30 4.18 -0.26 -4.62 0.20 -0.83 0.54 118.68 124.20 1ure s LEU 78 Ca 1.12 0.31 -0.11 0.00 0.69 0.00 0.00 54.13 56.14 1ure s LEU 78 Cb -0.99 -3.12 0.10 0.00 -0.43 0.00 0.00 46.19 41.75 1ure s LEU 78 CO 0.42 -0.14 0.60 -0.89 -0.29 0.00 0.00 176.35 176.05 1ure s THR 79 N -2.06 -0.53 0.19 3.68 2.01 0.39 -0.58 115.64 118.75 1ure s THR 79 Ca 0.37 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 1ure s THR 79 Cb -0.10 -0.90 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1ure s THR 79 CO 0.31 0.02 0.52 0.61 -0.69 0.00 0.00 174.62 175.39 1ure n GLY 80 N 4.97 1.22 3.13 4.40 0.00 -1.16 0.80 105.19 118.55 1ure n GLY 80 Ca -0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.40 0.46 -0.04 2.61 -4.23 -0.51 -3.01 115.64 108.51 1ure s THR 81 Ca 0.11 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1ure s THR 81 Cb -0.02 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 1ure s THR 81 CO 0.06 -0.93 -0.23 0.26 -0.54 0.00 0.00 174.62 173.24 1ure s TRP 82 N -3.73 2.46 -0.07 3.99 0.52 -1.26 -0.99 118.94 119.85 1ure s TRP 82 Ca 0.09 -0.51 -0.10 0.00 0.02 0.00 0.00 56.10 55.60 1ure s TRP 82 Cb 0.06 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 1ure s TRP 82 CO -0.07 -0.08 0.27 -0.08 0.02 0.00 0.00 176.95 177.01 1ure s THR 83 N -0.42 0.02 0.25 2.01 -1.32 0.13 0.15 115.64 116.47 1ure s THR 83 Ca 0.04 -0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.05 1ure s THR 83 Cb -0.12 -0.44 -0.09 0.00 -1.51 0.00 0.00 72.50 70.34 1ure s THR 83 CO 0.01 -0.10 1.06 -0.32 -2.21 0.00 0.00 174.62 173.07 1ure s MET 84 N -0.33 4.68 -0.14 7.08 1.75 -1.26 -0.51 119.30 130.57 1ure s MET 84 Ca -0.04 1.71 0.17 0.00 -1.25 0.00 0.00 55.69 56.27 1ure s MET 84 Cb -0.03 -3.23 0.43 0.00 2.84 0.00 0.00 34.83 34.83 1ure s MET 84 CO 0.01 0.25 1.20 0.39 -0.65 0.00 0.00 175.02 176.23 1ure n GLU 85 N 1.54 1.08 -1.98 4.11 1.02 0.16 -4.90 120.64 121.67 1ure n GLU 85 Ca -0.00 -2.86 -0.02 0.00 -0.02 0.00 0.00 57.16 54.25 1ure n GLU 85 Cb 0.46 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.50 -3.85 3.08 0.62 0.00 -1.26 -4.50 105.19 98.78 1ure n GLY 86 Ca 0.15 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.63 0.00 -3.77 1.61 3.02 -1.26 -4.97 115.26 110.52 1ure n ASN 87 Ca -0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.27 1ure n ASN 87 Cb 0.22 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 1ure n ASN 87 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ure s LYS 88 N -0.01 0.12 -0.46 3.52 2.47 -1.26 -4.74 119.74 119.37 1ure s LYS 88 Ca 0.00 0.32 -0.17 0.00 -1.56 0.00 0.00 55.97 54.56 1ure s LYS 88 Cb 0.00 -0.10 0.05 0.00 -1.46 0.00 0.00 37.83 36.32 1ure s LYS 88 CO 0.00 -0.12 0.47 -0.51 0.16 0.00 0.00 175.35 175.35 1ure s LEU 89 N 0.84 5.14 0.20 5.43 1.43 -1.20 0.40 118.68 130.91 1ure s LEU 89 Ca -0.06 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1ure s LEU 89 Cb -0.08 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1ure s LEU 89 CO -0.04 -0.68 0.36 0.68 0.23 0.00 0.00 176.35 176.89 1ure s VAL 90 N 2.10 5.25 -0.25 -1.59 -7.23 0.33 -0.31 120.40 118.71 1ure s VAL 90 Ca 0.10 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1ure s VAL 90 Cb -0.20 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 33.04 1ure s VAL 90 CO 0.11 -0.21 0.07 -0.83 -0.31 0.00 0.00 175.10 173.93 1ure s GLY 91 N -3.45 0.80 -0.30 2.32 0.00 -0.04 0.22 107.32 106.86 1ure s GLY 91 Ca 0.36 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.88 1ure s GLY 91 CO 0.29 1.60 0.16 0.54 0.00 0.00 0.00 173.10 175.69 1ure s LYS 92 N 1.81 3.53 -0.26 2.90 1.02 -0.16 0.12 119.74 128.71 1ure s LYS 92 Ca 0.04 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 1ure s LYS 92 Cb -0.17 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1ure s LYS 92 CO -0.19 -0.34 0.06 -0.06 -0.92 0.00 0.00 175.35 173.90 1ure s PHE 93 N 1.66 3.09 0.27 3.18 0.08 -0.79 -1.43 117.98 124.05 1ure s PHE 93 Ca 0.06 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.49 1ure s PHE 93 Cb -0.17 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1ure s PHE 93 CO 0.08 -0.46 0.34 0.15 -0.10 0.00 0.00 175.22 175.22 1ure s LYS 94 N 1.56 3.18 0.00 0.44 1.02 0.24 0.12 119.74 126.30 1ure s LYS 94 Ca 0.05 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.12 1ure s LYS 94 Cb -0.16 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1ure s LYS 94 CO 0.02 0.32 0.01 0.50 -0.92 0.00 0.00 175.35 175.28 1ure s ARG 95 N -3.99 2.81 0.08 1.68 6.06 -1.26 0.15 118.95 124.48 1ure s ARG 95 Ca 0.37 -0.60 0.07 0.00 -2.50 0.00 0.00 55.73 53.06 1ure s ARG 95 Cb -0.08 -2.69 -0.22 0.00 0.06 0.00 0.00 34.95 32.02 1ure s ARG 95 CO 0.28 0.62 1.13 0.28 -2.50 0.00 0.00 175.30 175.12 1ure h VAL 96 N 3.47 1.51 -0.01 7.11 2.07 -0.22 -3.16 116.25 127.02 1ure h VAL 96 Ca -0.49 -3.23 0.00 0.00 0.82 0.00 0.00 66.70 63.80 1ure h VAL 96 Cb 1.18 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 1ure h VAL 96 CO 0.58 0.87 -0.20 0.47 0.02 0.00 0.00 177.57 179.31 1ure n ASP 97 N -3.30 1.41 -0.01 0.57 9.92 -1.26 -4.63 116.55 119.24 1ure n ASP 97 Ca -0.05 -1.20 0.02 0.00 -0.53 0.00 0.00 54.79 53.03 1ure n ASP 97 Cb 0.97 0.40 -0.06 0.00 -0.64 0.00 0.00 41.12 41.78 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1ure n ASN 98 N -0.09 3.11 -2.14 -2.24 5.15 -1.26 -5.04 115.26 112.76 1ure n ASN 98 Ca 0.05 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.82 1ure n ASN 98 Cb 0.25 1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 40.67 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 2.16 0.26 0.00 8.20 0.00 -1.19 -4.99 105.19 109.63 1ure n GLY 99 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ure n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ure n LYS 100 N -2.82 0.00 0.00 1.61 4.76 -1.26 -4.97 118.16 115.49 1ure n LYS 100 Ca -0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1ure n LYS 100 Cb 0.69 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.88 1ure n LYS 100 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ure n GLU 101 N 0.00 0.00 -4.54 1.97 2.13 -1.26 -4.75 120.64 114.19 1ure n GLU 101 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1ure n GLU 101 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ure s LEU 102 N 0.00 2.09 0.28 4.31 0.20 0.32 -4.47 118.68 121.41 1ure s LEU 102 Ca 0.00 -1.61 -0.08 0.00 0.69 0.00 0.00 54.13 53.13 1ure s LEU 102 Cb 0.00 -0.27 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 1ure s LEU 102 CO 0.00 -0.85 0.44 0.27 -0.29 0.00 0.00 176.35 175.92 1ure s ILE 103 N -3.17 0.00 -0.20 6.68 -4.36 0.39 -1.88 121.20 118.67 1ure s ILE 103 Ca 0.24 -1.54 -0.14 0.00 -0.26 0.00 0.00 60.65 58.95 1ure s ILE 103 Cb 0.04 -2.42 0.06 0.00 1.25 0.00 0.00 42.46 41.39 1ure s ILE 103 CO 0.13 0.00 0.51 0.00 0.24 0.00 0.00 174.94 175.82 1ure s ALA 104 N -3.65 -1.32 -0.35 2.27 0.00 0.33 -2.24 121.76 116.80 1ure s ALA 104 Ca 0.27 1.72 0.04 0.00 0.00 0.00 0.00 51.96 53.99 1ure s ALA 104 Cb 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 23.12 22.21 1ure s ALA 104 CO 0.13 -0.29 0.07 0.08 0.00 0.00 0.00 175.76 175.76 1ure s VAL 105 N 1.08 2.18 -0.87 0.00 1.01 0.13 -0.87 120.40 123.06 1ure s VAL 105 Ca -0.06 -2.34 -0.25 0.00 0.00 0.00 0.00 61.98 59.33 1ure s VAL 105 Cb -0.06 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1ure s VAL 105 CO -0.10 -0.62 1.84 -0.13 0.00 0.00 0.00 175.10 176.09 1ure s ARG 106 N 0.87 2.74 -1.11 2.72 0.52 0.58 -2.94 118.95 122.33 1ure s ARG 106 Ca 0.11 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.89 1ure s ARG 106 Cb -0.19 -4.98 0.16 0.00 0.52 0.00 0.00 34.95 30.46 1ure s ARG 106 CO -0.09 -3.07 1.32 -2.00 0.02 0.00 0.00 175.30 171.49 1ure s GLU 107 N 6.67 3.93 -0.70 3.54 -6.30 0.44 -3.23 118.70 123.05 1ure s GLU 107 Ca 0.65 -2.32 -0.26 0.00 -2.50 0.00 0.00 54.97 50.54 1ure s GLU 107 Cb -0.07 -5.00 -0.10 0.00 0.00 0.00 0.00 34.13 28.96 1ure s GLU 107 CO 0.02 -1.76 2.31 0.42 0.02 0.00 0.00 175.26 176.27 1ure s ILE 108 N 1.89 3.09 0.35 -3.70 -1.09 -1.26 -3.53 121.20 116.96 1ure s ILE 108 Ca 0.39 -0.03 0.36 0.00 -2.23 0.00 0.00 60.65 59.14 1ure s ILE 108 Cb -0.04 -3.22 0.39 0.00 -1.58 0.00 0.00 42.46 38.02 1ure s ILE 108 CO -0.03 -0.21 2.13 0.28 -1.23 0.00 0.00 174.94 175.88 1ure h SER 109 N 14.77 0.00 0.00 3.58 0.02 -1.79 -3.45 113.55 126.68 1ure h SER 109 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ure h SER 109 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ure h SER 109 CO 1.09 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 1ure n GLY 110 N -0.47 2.29 1.90 -3.77 0.00 -1.26 -4.89 105.19 99.00 1ure n GLY 110 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.00 -4.27 1.61 4.13 -1.26 -5.00 115.26 110.47 1ure n ASN 111 Ca 0.00 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.92 1ure n ASN 111 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 112 N -0.14 3.25 -0.32 3.52 2.02 -1.26 -4.08 118.70 121.68 1ure s GLU 112 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.12 1ure s GLU 112 Cb 0.00 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 1ure s GLU 112 CO 0.00 -0.03 0.36 -1.17 0.02 0.00 0.00 175.26 174.44 1ure s LEU 113 N 0.96 4.30 -0.20 1.80 2.96 -1.26 -2.13 118.68 125.11 1ure s LEU 113 Ca -0.02 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1ure s LEU 113 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1ure s LEU 113 CO -0.02 -0.28 0.09 -0.63 -1.32 0.00 0.00 176.35 174.19 1ure s ILE 114 N 2.03 4.96 -0.89 6.68 -1.09 -1.23 -1.86 121.20 129.81 1ure s ILE 114 Ca 0.13 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 1ure s ILE 114 Cb -0.16 -3.26 0.22 0.00 -1.58 0.00 0.00 42.46 37.67 1ure s ILE 114 CO 0.11 0.43 0.78 0.00 -1.23 0.00 0.00 174.94 175.03 1ure n GLN 115 N 3.75 2.61 -2.29 2.79 6.02 -0.34 -0.42 117.38 129.50 1ure n GLN 115 Ca -0.16 -4.49 -0.43 0.00 -0.01 0.00 0.00 57.00 51.91 1ure n GLN 115 Cb 0.52 -2.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.35 1ure n GLN 115 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1ure s THR 116 N -1.44 3.95 0.01 5.09 -1.32 -1.15 -3.20 115.64 117.58 1ure s THR 116 Ca 0.28 1.07 0.01 0.00 -1.21 0.00 0.00 61.69 61.84 1ure s THR 116 Cb -0.06 -3.96 -0.04 0.00 -1.51 0.00 0.00 72.50 66.93 1ure s THR 116 CO -0.13 -0.39 0.03 -0.31 -2.21 0.00 0.00 174.62 171.61 1ure s TYR 117 N 4.73 3.15 -0.04 9.09 2.02 -0.98 0.21 117.35 135.53 1ure s TYR 117 Ca 0.63 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 57.43 1ure s TYR 117 Cb -0.20 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1ure s TYR 117 CO 0.26 0.50 0.08 0.99 -1.57 0.00 0.00 175.55 175.80 1ure s THR 118 N -1.16 -0.09 -2.81 -0.71 2.01 -0.95 -1.09 115.64 110.83 1ure s THR 118 Ca 0.22 0.28 0.23 0.00 0.31 0.00 0.00 61.69 62.72 1ure s THR 118 Cb -0.12 -0.16 0.17 0.00 0.01 0.00 0.00 72.50 72.41 1ure s THR 118 CO 0.13 0.11 1.21 0.00 -0.69 0.00 0.00 174.62 175.39 1ure n TYR 119 N 4.59 0.00 0.00 4.92 9.36 -1.26 0.15 117.16 134.92 1ure n TYR 119 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1ure n TYR 119 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 1.24 0.00 -1.14 2.98 0.00 -1.26 -4.47 120.64 117.99 1ure n GLU 120 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.33 1ure n GLU 120 Cb 0.56 0.00 0.11 0.00 0.00 0.00 0.00 31.44 32.11 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 0.00 3.03 2.83 8.31 0.00 -1.26 -5.02 105.19 113.08 1ure n GLY 121 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.67 -0.35 0.83 1.61 1.01 -1.26 -5.15 120.40 115.41 1ure s VAL 122 Ca 0.36 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1ure s VAL 122 Cb 0.38 -0.57 0.18 0.00 0.00 0.00 0.00 36.38 36.37 1ure s VAL 122 CO -0.12 -0.07 1.13 -0.62 0.00 0.00 0.00 175.10 175.42 1ure n GLU 123 N 5.33 -0.86 -2.88 2.72 4.71 -1.26 -4.15 120.64 124.26 1ure n GLU 123 Ca -0.05 -2.04 -0.01 0.00 -0.01 0.00 0.00 57.16 55.04 1ure n GLU 123 Cb 0.50 -1.07 0.01 0.00 -1.01 0.00 0.00 31.44 29.87 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ure s ALA 124 N -3.74 -3.28 0.08 0.62 0.00 -0.25 -4.31 121.76 110.89 1ure s ALA 124 Ca 0.66 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.72 1ure s ALA 124 Cb -0.02 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 1ure s ALA 124 CO 0.46 -2.36 1.42 0.15 0.00 0.00 0.00 175.76 175.43 1ure s LYS 125 N 1.46 4.30 -0.68 0.00 3.01 -1.26 -2.32 119.74 124.24 1ure s LYS 125 Ca 0.21 2.08 0.04 0.00 -1.01 0.00 0.00 55.97 57.28 1ure s LYS 125 Cb 0.02 -3.36 0.17 0.00 -1.01 0.00 0.00 37.83 33.64 1ure s LYS 125 CO -0.09 -0.50 0.47 1.03 0.51 0.00 0.00 175.35 176.76 1ure s ARG 126 N 1.59 2.44 -0.27 1.68 0.52 -1.19 0.12 118.95 123.83 1ure s ARG 126 Ca 0.65 -3.20 -0.29 0.00 -0.52 0.00 0.00 55.73 52.37 1ure s ARG 126 Cb -0.36 -3.45 0.01 0.00 0.52 0.00 0.00 34.95 31.67 1ure s ARG 126 CO 0.29 -1.25 1.12 0.42 0.02 0.00 0.00 175.30 175.90 1ure s ILE 127 N -1.22 4.48 0.46 1.52 1.01 -1.26 -1.20 121.20 124.99 1ure s ILE 127 Ca 0.23 1.74 0.02 0.00 0.00 0.00 0.00 60.65 62.64 1ure s ILE 127 Cb -0.09 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1ure s ILE 127 CO -0.13 -0.35 0.67 -0.36 0.00 0.00 0.00 174.94 174.76 1ure s PHE 128 N 3.60 3.08 -0.06 3.97 0.08 -0.78 -1.51 117.98 126.36 1ure s PHE 128 Ca 0.48 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.60 1ure s PHE 128 Cb -0.15 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1ure s PHE 128 CO 0.14 -0.46 0.31 1.63 -0.10 0.00 0.00 175.22 176.74 1ure n LYS 129 N -2.08 2.31 -1.21 0.44 4.76 -1.21 -4.10 118.16 117.06 1ure n LYS 129 Ca 0.03 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1ure n LYS 129 Cb 0.58 -0.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 -0.40 -1.90 0.00 1.97 4.81 -1.26 -4.79 118.16 116.59 1ure n LYS 130 Ca 0.00 1.68 0.00 0.00 -0.87 0.00 0.00 58.31 59.13 1ure n LYS 130 Cb 0.01 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96