#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure n PHE 2 N 0.00 0.01 -1.51 0.00 3.72 -1.26 -4.79 117.46 113.63 1ure n PHE 2 Ca 0.00 -0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1ure n PHE 2 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1ure n PHE 2 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ure n ASP 3 N -0.61 0.95 0.00 4.37 5.75 -1.26 -4.62 116.55 121.14 1ure n ASP 3 Ca 0.21 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1ure n ASP 3 Cb 0.18 -1.47 0.00 0.00 -1.03 0.00 0.00 41.12 38.80 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 6.25 0.98 3.30 6.12 0.00 -1.17 -5.00 105.19 115.67 1ure n GLY 4 Ca 0.44 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1ure n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 5 N -1.15 1.77 0.00 2.61 -4.23 -1.26 0.10 115.64 113.47 1ure s THR 5 Ca 0.00 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1ure s THR 5 Cb 0.00 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1ure s THR 5 CO 0.00 -0.09 0.00 0.79 -0.54 0.00 0.00 174.62 174.78 1ure n TRP 6 N 0.95 0.00 0.00 3.99 7.02 -0.25 0.15 117.44 129.29 1ure n TRP 6 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1ure n TRP 6 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1ure n TRP 6 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1ure n LYS 7 N 0.00 0.00 0.00 -0.99 4.81 -1.17 -1.85 118.16 118.96 1ure n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ure n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1ure n LYS 7 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1ure n VAL 8 N 0.00 0.00 0.01 3.15 0.24 -1.22 -3.85 118.33 116.65 1ure n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ure n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1ure n VAL 8 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ure n ASP 9 N 1.10 0.04 -4.50 -1.34 -0.08 -1.26 -4.50 116.55 106.00 1ure n ASP 9 Ca 0.00 0.02 -0.42 0.00 -1.51 0.00 0.00 54.79 52.88 1ure n ASP 9 Cb 0.00 -0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1ure n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ure s ARG 10 N -1.06 3.37 0.21 -0.67 1.70 -1.23 -4.91 118.95 116.34 1ure s ARG 10 Ca 0.00 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1ure s ARG 10 Cb 0.00 -4.67 0.04 0.00 -0.57 0.00 0.00 34.95 29.75 1ure s ARG 10 CO 0.00 -1.99 0.28 0.09 -1.08 0.00 0.00 175.30 172.60 1ure n ASN 11 N 8.16 0.42 0.05 -2.89 4.13 -1.26 -1.13 115.26 122.75 1ure n ASN 11 Ca 0.14 -1.35 0.00 0.00 1.68 0.00 0.00 54.58 55.05 1ure n ASN 11 Cb 0.49 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1ure n GLU 12 N -1.52 0.00 -0.52 3.52 0.00 0.10 -4.82 120.64 117.41 1ure n GLU 12 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.28 1ure n GLU 12 Cb 0.17 0.00 0.29 0.00 0.00 0.00 0.00 31.44 31.90 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 -2.79 3.99 0.15 4.31 5.15 -1.26 -4.38 115.26 120.43 1ure n ASN 13 Ca 0.00 -2.40 0.03 0.00 -0.60 0.00 0.00 54.58 51.61 1ure n ASN 13 Cb 0.00 -0.53 0.15 0.00 -0.53 0.00 0.00 39.78 38.87 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 3.26 0.00 -0.05 1.20 5.03 -1.75 -2.95 116.97 121.71 1ure h TYR 14 Ca 0.00 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1ure h TYR 14 Cb 1.26 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.55 1ure h TYR 14 CO 0.65 0.51 -0.88 1.05 -1.32 0.00 0.00 178.16 178.16 1ure h GLU 15 N 0.00 0.55 0.00 1.82 4.11 -1.92 -3.21 114.58 115.93 1ure h GLU 15 Ca -0.01 -0.53 -0.09 0.00 0.07 0.00 0.00 59.36 58.81 1ure h GLU 15 Cb 1.21 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1ure h GLU 15 CO 0.07 1.15 -0.41 -0.22 0.07 0.00 0.00 179.01 179.67 1ure h LYS 16 N 0.34 0.00 -0.06 1.06 3.64 -1.88 -3.26 116.57 116.41 1ure h LYS 16 Ca -0.07 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1ure h LYS 16 Cb 1.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1ure h LYS 16 CO 0.16 0.41 -0.30 0.35 -2.27 0.00 0.00 179.45 177.80 1ure h PHE 17 N 0.00 0.12 0.00 1.91 3.57 -1.52 -1.30 116.94 119.72 1ure h PHE 17 Ca -0.00 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1ure h PHE 17 Cb 1.22 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ure h PHE 17 CO 0.00 0.40 -0.32 0.52 -2.23 0.00 0.00 178.31 176.68 1ure h MET 18 N 0.10 0.00 0.00 1.11 2.86 -1.60 -2.27 114.93 115.13 1ure h MET 18 Ca 0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1ure h MET 18 Cb 0.59 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1ure h MET 18 CO 0.04 0.32 -0.15 1.49 1.06 0.00 0.00 176.91 179.67 1ure h GLU 19 N 0.00 0.00 -0.04 1.72 4.81 -1.17 1.11 114.58 121.01 1ure h GLU 19 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1ure h GLU 19 Cb 0.93 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1ure h GLU 19 CO 0.04 0.15 -0.95 -0.22 -0.73 0.00 0.00 179.01 177.30 1ure h LYS 20 N 0.00 0.64 0.02 1.92 1.63 -1.18 -3.25 116.57 116.36 1ure h LYS 20 Ca -0.00 -0.64 -0.26 0.00 -0.85 0.00 0.00 60.65 58.90 1ure h LYS 20 Cb 0.78 0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1ure h LYS 20 CO 0.02 1.24 -1.05 0.52 -3.45 0.00 0.00 179.45 176.74 1ure h MET 21 N 0.38 0.56 0.00 1.90 2.86 -1.43 -3.48 114.93 115.73 1ure h MET 21 Ca -0.10 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1ure h MET 21 Cb 1.59 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1ure h MET 21 CO 0.18 1.25 0.00 0.41 1.06 0.00 0.00 176.91 179.81 1ure n GLY 22 N 1.10 0.70 3.06 8.32 0.00 -0.71 -5.10 105.19 112.56 1ure n GLY 22 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.92 2.26 -0.02 -0.61 1.01 0.37 -4.97 121.20 118.33 1ure s ILE 23 Ca 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 60.65 58.85 1ure s ILE 23 Cb 0.00 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1ure s ILE 23 CO 0.00 -0.20 0.85 -0.46 0.00 0.00 0.00 174.94 175.13 1ure n ASN 24 N 4.39 0.82 0.00 3.58 0.23 -1.26 -3.10 115.26 119.92 1ure n ASN 24 Ca -0.09 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1ure n ASN 24 Cb 0.42 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1ure n ASN 24 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1ure n VAL 25 N -0.35 0.00 0.22 3.53 0.24 -1.26 -4.98 118.33 115.74 1ure n VAL 25 Ca 0.03 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.43 1ure n VAL 25 Cb 0.53 0.00 0.47 0.00 -1.47 0.00 0.00 33.84 33.37 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1ure h VAL 26 N 0.00 0.57 -0.29 3.34 -1.51 -1.99 -3.21 116.25 113.16 1ure h VAL 26 Ca 0.00 -1.10 -0.08 0.00 -1.23 0.00 0.00 66.70 64.29 1ure h VAL 26 Cb 0.00 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1ure h VAL 26 CO 0.00 0.22 -0.17 0.11 -1.23 0.00 0.00 177.57 176.50 1ure h LYS 27 N 0.00 0.51 0.00 5.19 1.57 -1.95 0.13 116.57 122.01 1ure h LYS 27 Ca -0.00 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1ure h LYS 27 Cb 0.72 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1ure h LYS 27 CO 0.03 0.66 -0.40 0.07 -0.57 0.00 0.00 179.45 179.24 1ure h ARG 28 N 0.46 0.00 0.04 3.15 0.11 -1.81 -1.34 114.38 114.99 1ure h ARG 28 Ca 0.08 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.93 1ure h ARG 28 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 1ure h ARG 28 CO 0.04 0.40 -1.04 -0.22 0.10 0.00 0.00 179.97 179.25 1ure h LYS 29 N 0.00 0.12 0.07 0.08 3.64 -1.53 -2.95 116.57 115.99 1ure h LYS 29 Ca -0.00 -0.18 -0.25 0.00 -1.27 0.00 0.00 60.65 58.94 1ure h LYS 29 Cb 1.25 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1ure h LYS 29 CO 0.05 1.05 -1.09 1.25 -2.27 0.00 0.00 179.45 178.43 1ure h LEU 30 N 0.04 0.53 -0.89 5.20 5.85 -0.68 -3.18 115.31 122.19 1ure h LEU 30 Ca -0.05 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 1ure h LEU 30 Cb 1.76 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1ure h LEU 30 CO 0.15 1.32 -0.35 1.23 -0.34 0.00 0.00 178.44 180.45 1ure h GLY 31 N 1.24 0.00 1.81 3.75 0.00 -1.31 0.51 103.07 109.07 1ure h GLY 31 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.01 1ure h GLY 31 CO 0.19 0.00 -0.92 0.00 0.00 0.00 0.00 176.54 175.81 1ure h ALA 32 N 1.65 0.47 0.00 3.60 0.00 -1.59 -3.33 119.26 120.06 1ure h ALA 32 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1ure h ALA 32 Cb 0.91 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1ure h ALA 32 CO 0.05 0.97 -0.52 0.72 0.00 0.00 0.00 179.25 180.47 1ure n HIS 33 N -3.60 0.00 0.30 0.00 8.25 -1.15 -4.83 115.22 114.19 1ure n HIS 33 Ca -0.03 -1.26 0.18 0.00 -0.26 0.00 0.00 57.72 56.35 1ure n HIS 33 Cb 0.84 -0.22 0.80 0.00 1.12 0.00 0.00 29.99 32.54 1ure n HIS 33 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1ure h ASP 34 N 0.86 0.00 -3.40 0.41 3.58 -0.09 -3.47 116.42 114.30 1ure h ASP 34 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1ure h ASP 34 Cb 1.14 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.21 1ure h ASP 34 CO 0.01 0.00 -0.11 0.59 -2.88 0.00 0.00 179.24 176.85 1ure n ASN 35 N -2.99 -2.80 -3.99 2.28 3.02 -1.26 -0.09 115.26 109.42 1ure n ASN 35 Ca -0.00 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 1ure n ASN 35 Cb 0.23 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.04 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ure n LEU 36 N -1.65 6.28 -4.61 3.41 7.94 -1.25 -3.91 117.00 123.21 1ure n LEU 36 Ca -0.01 -4.07 -0.43 0.00 -1.11 0.00 0.00 56.01 50.39 1ure n LEU 36 Cb 0.52 -1.69 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 1ure n LEU 36 CO 0.09 0.82 1.45 -0.75 -1.11 0.00 0.00 177.39 177.90 1ure s LYS 37 N 3.51 3.55 -0.46 1.96 2.20 -1.26 -3.03 119.74 126.21 1ure s LYS 37 Ca 0.49 1.52 -0.11 0.00 -0.36 0.00 0.00 55.97 57.51 1ure s LYS 37 Cb 0.11 -4.12 0.09 0.00 -1.51 0.00 0.00 37.83 32.40 1ure s LYS 37 CO -0.04 -1.60 0.33 -0.51 -0.36 0.00 0.00 175.35 173.18 1ure s LEU 38 N 6.08 5.49 -0.98 5.43 1.02 -0.77 -1.87 118.68 133.07 1ure s LEU 38 Ca 0.76 -1.61 -0.15 0.00 0.02 0.00 0.00 54.13 53.15 1ure s LEU 38 Cb -0.23 -2.05 0.19 0.00 0.02 0.00 0.00 46.19 44.12 1ure s LEU 38 CO 0.32 -0.63 1.07 -0.89 0.02 0.00 0.00 176.35 176.23 1ure s THR 39 N 1.47 5.31 0.54 5.49 2.01 -0.84 -1.09 115.64 128.52 1ure s THR 39 Ca 0.04 -2.40 -0.22 0.00 0.31 0.00 0.00 61.69 59.42 1ure s THR 39 Cb -0.25 -4.67 -0.05 0.00 0.01 0.00 0.00 72.50 67.54 1ure s THR 39 CO 0.02 -1.32 1.34 -0.63 -0.69 0.00 0.00 174.62 173.35 1ure s ILE 40 N 0.94 2.17 -0.15 1.82 -1.09 0.28 -2.53 121.20 122.64 1ure s ILE 40 Ca 0.29 0.12 0.15 0.00 -2.23 0.00 0.00 60.65 58.99 1ure s ILE 40 Cb -0.07 -3.06 0.33 0.00 -1.58 0.00 0.00 42.46 38.08 1ure s ILE 40 CO -0.07 -0.00 1.21 1.07 -1.23 0.00 0.00 174.94 175.91 1ure n THR 41 N -1.02 0.31 -0.89 2.92 5.66 -1.26 -3.07 114.28 116.93 1ure n THR 41 Ca 0.10 -1.20 -0.41 0.00 -3.05 0.00 0.00 64.05 59.49 1ure n THR 41 Cb 0.45 0.95 -0.08 0.00 -1.55 0.00 0.00 70.33 70.10 1ure n THR 41 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1ure n GLN 42 N -0.43 0.00 0.00 1.09 7.27 -1.26 -4.67 117.38 119.38 1ure n GLN 42 Ca -0.09 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.14 1ure n GLN 42 Cb 0.88 -1.01 0.88 0.00 2.41 0.00 0.00 30.24 33.40 1ure n GLN 42 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1ure n GLU 43 N 4.65 0.99 0.00 3.69 0.00 -0.46 -4.82 120.64 124.69 1ure n GLU 43 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1ure n GLU 43 Cb -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 44 N 1.05 3.36 0.00 8.31 0.00 -1.26 -4.79 105.19 111.87 1ure n GLY 44 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 2.68 -4.81 1.61 3.02 -1.26 -5.05 115.26 111.45 1ure n ASN 45 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1ure n ASN 45 Cb 0.00 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.63 4.09 -0.27 3.52 2.20 -1.26 -3.50 119.74 122.89 1ure s LYS 46 Ca 0.00 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.21 1ure s LYS 46 Cb 0.00 -3.25 0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1ure s LYS 46 CO 0.00 0.62 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.47 1ure s PHE 47 N -0.96 3.26 -1.13 4.03 0.40 -1.25 -1.36 117.98 120.98 1ure s PHE 47 Ca 0.27 -2.20 -0.09 0.00 -0.60 0.00 0.00 56.93 54.31 1ure s PHE 47 Cb -0.18 -1.98 0.27 0.00 0.51 0.00 0.00 43.02 41.64 1ure s PHE 47 CO 0.16 -0.86 1.24 -2.37 0.70 0.00 0.00 175.22 174.09 1ure n THR 48 N 4.48 4.66 -1.53 0.64 5.66 -1.26 -0.73 114.28 126.21 1ure n THR 48 Ca -0.14 -5.37 -0.33 0.00 -3.05 0.00 0.00 64.05 55.17 1ure n THR 48 Cb 0.42 -2.49 -0.09 0.00 -1.55 0.00 0.00 70.33 66.63 1ure n THR 48 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ure n VAL 49 N 2.72 -0.04 -1.88 1.08 3.14 0.16 -4.38 118.33 119.11 1ure n VAL 49 Ca 0.26 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.74 1ure n VAL 49 Cb 0.38 -1.76 -0.01 0.00 -1.06 0.00 0.00 33.84 31.40 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 8.48 4.18 -0.35 1.45 2.36 -1.05 0.93 119.74 135.74 1ure s LYS 50 Ca 1.12 2.48 -0.00 0.00 -2.55 0.00 0.00 55.97 57.01 1ure s LYS 50 Cb -0.55 -3.00 0.13 0.00 -1.05 0.00 0.00 37.83 33.36 1ure s LYS 50 CO 0.33 -0.46 0.20 -2.00 1.55 0.00 0.00 175.35 174.98 1ure s GLU 51 N -1.78 0.60 -0.91 4.03 2.12 -0.87 -1.98 118.70 119.90 1ure s GLU 51 Ca 0.53 -1.32 -0.04 0.00 0.36 0.00 0.00 54.97 54.51 1ure s GLU 51 Cb -0.45 -1.41 0.16 0.00 0.26 0.00 0.00 34.13 32.69 1ure s GLU 51 CO 0.58 -1.18 2.38 0.43 -0.54 0.00 0.00 175.26 176.93 1ure n SER 52 N 4.12 7.32 -4.76 -1.70 7.64 -0.78 -1.26 113.62 124.19 1ure n SER 52 Ca 0.10 -3.35 -0.31 0.00 1.01 0.00 0.00 58.87 56.31 1ure n SER 52 Cb 0.37 -1.25 0.08 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.11 4.57 0.54 6.43 1.04 0.36 -4.00 113.70 122.54 1ure s SER 53 Ca 0.53 1.88 0.29 0.00 0.48 0.00 0.00 55.95 59.13 1ure s SER 53 Cb 0.29 -2.53 1.45 0.00 0.10 0.00 0.00 66.02 65.33 1ure s SER 53 CO -0.19 -1.99 1.94 -1.13 0.98 0.00 0.00 173.24 172.84 1ure h ASN 54 N -0.91 0.00 0.20 7.02 -1.24 -0.64 -1.65 115.58 118.36 1ure h ASN 54 Ca -0.44 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 1ure h ASN 54 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1ure h ASN 54 CO 0.52 0.00 -0.10 -0.26 -1.29 0.00 0.00 177.43 176.30 1ure h PHE 55 N 0.00 -0.25 -4.50 0.67 -1.00 -1.88 -3.48 116.94 106.49 1ure h PHE 55 Ca 0.32 -0.01 -0.31 0.00 2.81 0.00 0.00 57.97 60.79 1ure h PHE 55 Cb 1.34 0.08 -0.12 0.00 3.61 0.00 0.00 35.95 40.86 1ure h PHE 55 CO 0.00 0.13 -0.44 1.03 -1.61 0.00 0.00 178.31 177.42 1ure s ARG 56 N -3.26 1.56 -0.63 1.51 3.00 -0.62 -5.06 118.95 115.46 1ure s ARG 56 Ca -0.11 -1.75 0.06 0.00 0.00 0.00 0.00 55.73 53.93 1ure s ARG 56 Cb 0.00 0.34 0.24 0.00 0.00 0.00 0.00 34.95 35.53 1ure s ARG 56 CO 0.40 -0.58 0.69 0.09 0.00 0.00 0.00 175.30 175.90 1ure n ASN 57 N -0.94 3.30 -4.27 0.23 4.13 -1.21 0.14 115.26 116.64 1ure n ASN 57 Ca 0.03 -3.33 -0.41 0.00 1.68 0.00 0.00 54.58 52.55 1ure n ASN 57 Cb 0.63 -0.68 -0.09 0.00 -1.54 0.00 0.00 39.78 38.11 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1ure s ILE 58 N -2.18 4.38 0.05 2.41 2.07 -0.39 -4.94 121.20 122.60 1ure s ILE 58 Ca 0.37 -1.49 -0.31 0.00 -1.41 0.00 0.00 60.65 57.82 1ure s ILE 58 Cb 0.12 -3.74 -0.08 0.00 0.13 0.00 0.00 42.46 38.89 1ure s ILE 58 CO -0.05 -0.61 1.61 -1.81 -1.91 0.00 0.00 174.94 172.16 1ure s ASP 59 N 2.42 6.65 -0.61 4.50 1.01 -1.26 -2.05 116.67 127.32 1ure s ASP 59 Ca 0.04 2.41 -0.15 0.00 0.71 0.00 0.00 52.55 55.56 1ure s ASP 59 Cb -0.24 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.28 1ure s ASP 59 CO 0.02 -0.86 0.56 -0.69 0.21 0.00 0.00 175.17 174.41 1ure s VAL 60 N 2.62 5.22 0.13 -1.27 1.01 0.27 -4.85 120.40 123.51 1ure s VAL 60 Ca 0.72 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1ure s VAL 60 Cb -0.38 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1ure s VAL 60 CO 0.31 -0.91 0.97 0.68 0.00 0.00 0.00 175.10 176.15 1ure s VAL 61 N 1.16 4.41 -0.40 2.92 -7.23 -1.26 0.35 120.40 120.35 1ure s VAL 61 Ca 0.08 2.04 0.07 0.00 -1.81 0.00 0.00 61.98 62.36 1ure s VAL 61 Cb -0.24 -4.30 0.18 0.00 0.56 0.00 0.00 36.38 32.58 1ure s VAL 61 CO -0.01 0.33 0.64 0.72 -0.31 0.00 0.00 175.10 176.48 1ure s PHE 62 N -0.14 -1.71 0.63 2.82 -0.71 0.09 -4.95 117.98 114.02 1ure s PHE 62 Ca 0.47 0.30 -0.19 0.00 -1.04 0.00 0.00 56.93 56.47 1ure s PHE 62 Cb -0.24 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.86 1ure s PHE 62 CO 0.30 -1.15 1.27 0.39 -1.34 0.00 0.00 175.22 174.69 1ure n GLU 63 N 4.46 1.18 -1.91 1.99 1.02 -1.26 -3.82 120.64 122.29 1ure n GLU 63 Ca 0.11 0.46 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 1ure n GLU 63 Cb 0.57 -2.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 1ure n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ure s LEU 64 N -3.93 3.57 -0.45 -4.62 1.43 -1.23 -2.86 118.68 110.58 1ure s LEU 64 Ca 0.80 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1ure s LEU 64 Cb -0.39 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1ure s LEU 64 CO 0.42 -1.68 0.39 0.61 0.23 0.00 0.00 176.35 176.31 1ure n GLY 65 N 5.38 0.24 0.52 -3.19 0.00 -0.84 -4.99 105.19 102.31 1ure n GLY 65 Ca 0.24 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.58 0.79 -2.78 1.61 0.31 -1.14 -5.05 118.33 109.49 1ure n VAL 66 Ca -0.07 -0.90 -0.02 0.00 -0.01 0.00 0.00 64.34 63.35 1ure n VAL 66 Cb 0.55 0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 34.11 1ure n VAL 66 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ure n ASP 67 N 0.42 -4.83 -4.51 4.52 8.00 -1.26 -5.01 116.55 113.88 1ure n ASP 67 Ca 0.09 1.13 -0.25 0.00 0.71 0.00 0.00 54.79 56.47 1ure n ASP 67 Cb 0.37 -2.80 -0.10 0.00 -0.02 0.00 0.00 41.12 38.57 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ure s PHE 68 N -0.22 2.43 -0.04 1.24 -0.71 -1.08 -4.97 117.98 114.64 1ure s PHE 68 Ca -0.08 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 1ure s PHE 68 Cb 0.01 -1.12 -0.03 0.00 -1.21 0.00 0.00 43.02 40.66 1ure s PHE 68 CO 0.23 0.61 0.00 0.00 -1.34 0.00 0.00 175.22 174.72 1ure s ALA 69 N -2.13 3.29 -0.23 1.99 0.00 -1.26 -2.33 121.76 121.08 1ure s ALA 69 Ca 0.27 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1ure s ALA 69 Cb -0.07 -1.40 0.12 0.00 0.00 0.00 0.00 23.12 21.77 1ure s ALA 69 CO 0.15 0.62 0.29 -0.47 0.00 0.00 0.00 175.76 176.35 1ure s TYR 70 N -1.01 -0.51 0.24 0.00 5.04 0.37 -4.96 117.35 116.52 1ure s TYR 70 Ca 0.17 0.36 -0.30 0.00 -2.44 0.00 0.00 57.07 54.86 1ure s TYR 70 Cb -0.11 -0.25 -0.09 0.00 0.35 0.00 0.00 41.96 41.86 1ure s TYR 70 CO 0.07 -0.71 1.09 -1.54 -1.34 0.00 0.00 175.55 173.12 1ure s SER 71 N 2.41 7.29 0.87 4.32 1.04 -1.26 -3.19 113.70 125.19 1ure s SER 71 Ca 0.09 2.18 -0.00 0.00 0.48 0.00 0.00 55.95 58.70 1ure s SER 71 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1ure s SER 71 CO -0.17 -0.15 0.01 0.18 0.98 0.00 0.00 173.24 174.08 1ure n LEU 72 N 1.67 0.00 0.01 2.42 4.32 -1.08 -4.95 117.00 119.39 1ure n LEU 72 Ca 0.00 -0.01 -0.19 0.00 -0.02 0.00 0.00 56.01 55.79 1ure n LEU 72 Cb 0.45 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.11 1ure n LEU 72 CO 0.54 -0.51 -0.05 0.00 -1.22 0.00 0.00 177.39 176.15 1ure h ALA 73 N -1.68 0.02 0.00 -1.18 0.00 -1.95 -3.41 119.26 111.06 1ure h ALA 73 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 1ure h ALA 73 Cb 0.01 0.22 -0.26 0.00 0.00 0.00 0.00 17.79 17.76 1ure h ALA 73 CO 0.00 0.45 -0.86 -3.47 0.00 0.00 0.00 179.25 175.38 1ure n ASP 74 N -4.18 0.67 0.00 0.00 2.03 -1.26 -4.81 116.55 109.00 1ure n ASP 74 Ca -0.17 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.13 1ure n ASP 74 Cb 0.78 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.32 0.83 1.44 0.27 0.00 -1.26 -4.95 105.19 101.85 1ure n GLY 75 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.91 0.00 -1.40 2.61 -2.24 -1.26 -4.82 114.28 106.26 1ure n THR 76 Ca 0.00 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.31 1ure n THR 76 Cb 0.00 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.59 0.08 -3.50 -0.78 1.02 -1.26 -2.62 120.64 111.98 1ure n GLU 77 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1ure n GLU 77 Cb 0.14 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 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 3.04 -0.79 -0.08 -4.62 2.96 -1.19 -4.16 118.68 113.83 1ure s LEU 78 Ca 0.63 1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1ure s LEU 78 Cb -0.87 1.91 0.05 0.00 0.50 0.00 0.00 46.19 47.78 1ure s LEU 78 CO 0.57 -0.15 0.16 0.28 -1.32 0.00 0.00 176.35 175.88 1ure s THR 79 N 2.58 -0.23 0.00 3.68 -1.32 0.01 0.14 115.64 120.50 1ure s THR 79 Ca -0.04 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1ure s THR 79 Cb -0.08 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1ure s THR 79 CO -0.18 0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1ure n GLY 80 N 5.16 3.92 3.26 6.08 0.00 -0.99 -1.20 105.19 121.43 1ure n GLY 80 Ca -0.08 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.12 0.11 0.14 2.61 -4.23 -0.94 -2.65 115.64 110.57 1ure s THR 81 Ca 0.00 -1.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.54 1ure s THR 81 Cb 0.00 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 1ure s THR 81 CO 0.00 -0.50 -0.19 0.26 -0.54 0.00 0.00 174.62 173.65 1ure s TRP 82 N -3.87 2.48 -0.11 3.99 0.52 -1.26 0.17 118.94 120.87 1ure s TRP 82 Ca 0.07 -0.29 -0.19 0.00 0.02 0.00 0.00 56.10 55.71 1ure s TRP 82 Cb 0.04 -1.29 0.04 0.00 -1.15 0.00 0.00 33.47 31.11 1ure s TRP 82 CO -0.09 0.41 0.47 -0.08 0.02 0.00 0.00 176.95 177.69 1ure s THR 83 N -1.29 0.02 -0.59 2.01 -1.32 0.92 -1.99 115.64 113.40 1ure s THR 83 Ca 0.19 -0.14 -0.28 0.00 -1.21 0.00 0.00 61.69 60.24 1ure s THR 83 Cb -0.10 -0.73 0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1ure s THR 83 CO 0.10 -0.08 1.19 -0.32 -2.21 0.00 0.00 174.62 173.30 1ure s MET 84 N -0.50 3.49 1.05 7.08 1.75 -1.26 0.54 119.30 131.45 1ure s MET 84 Ca -0.06 0.21 -0.17 0.00 -1.25 0.00 0.00 55.69 54.41 1ure s MET 84 Cb -0.03 -4.02 0.24 0.00 2.84 0.00 0.00 34.83 33.85 1ure s MET 84 CO 0.04 -1.70 1.25 -1.21 -0.65 0.00 0.00 175.02 172.75 1ure s GLU 85 N 4.96 -0.07 -0.71 4.11 0.41 0.29 -4.87 118.70 122.81 1ure s GLU 85 Ca 0.42 -0.32 -0.26 0.00 -0.41 0.00 0.00 54.97 54.41 1ure s GLU 85 Cb -0.08 -1.75 -0.05 0.00 -1.78 0.00 0.00 34.13 30.47 1ure s GLU 85 CO 0.25 -2.91 2.04 0.20 -0.49 0.00 0.00 175.26 174.35 1ure s GLY 86 N -4.57 -0.03 -0.06 -1.39 0.00 -1.26 -2.20 107.32 97.82 1ure s GLY 86 Ca 0.73 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ure s GLY 86 CO 0.54 3.65 0.00 -2.01 0.00 0.00 0.00 173.10 175.28 1ure n ASN 87 N 14.35 -3.11 -3.10 1.64 5.15 -1.26 -5.01 115.26 123.91 1ure n ASN 87 Ca 0.32 0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 54.21 1ure n ASN 87 Cb 0.50 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ure s LYS 88 N -1.39 2.10 0.09 1.20 3.01 -0.93 -4.80 119.74 119.02 1ure s LYS 88 Ca 0.00 -1.50 0.10 0.00 -1.01 0.00 0.00 55.97 53.56 1ure s LYS 88 Cb 0.00 0.57 -0.04 0.00 -1.01 0.00 0.00 37.83 37.35 1ure s LYS 88 CO 0.00 -0.95 -0.26 -1.17 0.51 0.00 0.00 175.35 173.48 1ure s LEU 89 N -3.11 2.26 0.12 3.17 1.98 -1.20 0.10 118.68 122.01 1ure s LEU 89 Ca 0.20 -0.68 -0.02 0.00 -2.89 0.00 0.00 54.13 50.74 1ure s LEU 89 Cb -0.04 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.57 1ure s LEU 89 CO 0.14 0.20 0.07 0.68 -1.89 0.00 0.00 176.35 175.54 1ure s VAL 90 N -0.97 0.12 -0.20 1.68 -7.23 0.19 -1.39 120.40 112.60 1ure s VAL 90 Ca 0.12 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1ure s VAL 90 Cb -0.10 -1.92 0.09 0.00 0.56 0.00 0.00 36.38 35.01 1ure s VAL 90 CO 0.04 -0.54 0.19 -0.83 -0.31 0.00 0.00 175.10 173.65 1ure s GLY 91 N -3.01 0.09 0.33 2.32 0.00 0.31 -0.05 107.32 107.30 1ure s GLY 91 Ca 0.20 0.06 0.07 0.00 0.00 0.00 0.00 44.72 45.06 1ure s GLY 91 CO -0.01 2.07 0.36 0.54 0.00 0.00 0.00 173.10 176.07 1ure s LYS 92 N 2.28 2.94 -0.30 2.90 1.02 0.13 0.38 119.74 129.08 1ure s LYS 92 Ca 0.06 -1.14 -0.08 0.00 0.02 0.00 0.00 55.97 54.84 1ure s LYS 92 Cb -0.16 -2.65 0.16 0.00 -0.52 0.00 0.00 37.83 34.66 1ure s LYS 92 CO -0.13 0.12 0.69 -0.06 -0.92 0.00 0.00 175.35 175.05 1ure s PHE 93 N -2.22 -1.32 0.08 3.18 0.40 0.31 -2.21 117.98 116.20 1ure s PHE 93 Ca 0.42 1.90 -0.14 0.00 -0.60 0.00 0.00 56.93 58.51 1ure s PHE 93 Cb -0.08 0.65 -0.06 0.00 0.51 0.00 0.00 43.02 44.04 1ure s PHE 93 CO 0.28 -0.68 0.47 0.15 0.70 0.00 0.00 175.22 176.14 1ure s LYS 94 N 2.84 3.94 -0.07 0.44 1.02 -0.34 0.04 119.74 127.59 1ure s LYS 94 Ca 0.04 0.42 -0.21 0.00 0.02 0.00 0.00 55.97 56.24 1ure s LYS 94 Cb -0.12 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1ure s LYS 94 CO -0.19 0.59 0.61 0.50 -0.92 0.00 0.00 175.35 175.94 1ure s ARG 95 N -1.57 4.39 0.24 1.68 3.52 -0.04 -0.81 118.95 126.37 1ure s ARG 95 Ca 0.31 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.67 1ure s ARG 95 Cb -0.16 -3.43 0.27 0.00 -1.56 0.00 0.00 34.95 30.08 1ure s ARG 95 CO 0.17 0.14 1.59 0.28 -0.81 0.00 0.00 175.30 176.67 1ure h VAL 96 N 4.66 1.35 -0.00 7.11 2.07 -1.91 0.21 116.25 129.73 1ure h VAL 96 Ca -0.42 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1ure h VAL 96 Cb 1.19 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1ure h VAL 96 CO 0.75 0.54 -0.68 -0.67 0.02 0.00 0.00 177.57 177.53 1ure n ASP 97 N -3.94 1.04 -0.00 0.57 2.03 -1.26 -4.47 116.55 110.51 1ure n ASP 97 Ca -0.02 -0.86 -0.00 0.00 0.52 0.00 0.00 54.79 54.42 1ure n ASP 97 Cb 0.57 0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 41.56 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ure n ASN 98 N -1.14 4.72 -0.05 1.67 5.15 -1.21 -5.04 115.26 119.36 1ure n ASN 98 Ca 0.06 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.04 1ure n ASN 98 Cb 0.36 0.60 -0.00 0.00 -0.53 0.00 0.00 39.78 40.21 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 2.86 0.45 3.78 8.20 0.00 0.73 -4.98 105.19 116.23 1ure n GLY 99 Ca -0.02 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.68 2.88 -0.29 1.61 1.02 -1.26 -4.79 119.74 118.24 1ure s LYS 100 Ca 0.00 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1ure s LYS 100 Cb 0.00 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1ure s LYS 100 CO 0.00 0.53 0.42 -2.00 -0.92 0.00 0.00 175.35 173.38 1ure s GLU 101 N -2.68 3.92 -0.29 1.68 2.12 -1.26 -0.86 118.70 121.33 1ure s GLU 101 Ca 0.30 0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.50 1ure s GLU 101 Cb -0.11 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 1ure s GLU 101 CO 0.22 -0.37 0.32 -1.17 -0.54 0.00 0.00 175.26 173.72 1ure s LEU 102 N 2.16 4.16 0.28 2.70 0.20 0.11 -4.42 118.68 123.86 1ure s LEU 102 Ca 0.16 0.05 0.09 0.00 0.69 0.00 0.00 54.13 55.12 1ure s LEU 102 Cb -0.16 -2.32 -0.04 0.00 -0.43 0.00 0.00 46.19 43.24 1ure s LEU 102 CO 0.10 -0.20 0.09 -0.51 -0.29 0.00 0.00 176.35 175.55 1ure s ILE 103 N 1.97 3.65 -0.00 6.68 2.07 0.54 0.11 121.20 136.22 1ure s ILE 103 Ca 0.12 -1.71 -0.16 0.00 -1.41 0.00 0.00 60.65 57.48 1ure s ILE 103 Cb -0.16 -3.04 0.03 0.00 0.13 0.00 0.00 42.46 39.42 1ure s ILE 103 CO 0.11 -0.33 0.35 0.00 -1.91 0.00 0.00 174.94 173.16 1ure s ALA 104 N -2.29 -0.88 -0.18 1.50 0.00 0.16 -0.75 121.76 119.33 1ure s ALA 104 Ca 0.33 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 1ure s ALA 104 Cb -0.06 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.28 1ure s ALA 104 CO 0.22 -0.31 0.33 0.08 0.00 0.00 0.00 175.76 176.08 1ure s VAL 105 N -1.60 -0.52 -0.93 0.00 1.01 0.60 -0.53 120.40 118.43 1ure s VAL 105 Ca -0.11 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 1ure s VAL 105 Cb -0.04 -0.60 0.08 0.00 0.00 0.00 0.00 36.38 35.83 1ure s VAL 105 CO 0.03 0.04 1.27 -0.13 0.00 0.00 0.00 175.10 176.31 1ure s ARG 106 N 2.50 3.53 -1.26 2.72 0.52 -0.49 -1.69 118.95 124.77 1ure s ARG 106 Ca 0.02 -1.29 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 1ure s ARG 106 Cb -0.13 -5.01 0.09 0.00 0.52 0.00 0.00 34.95 30.42 1ure s ARG 106 CO -0.11 -2.00 1.67 -2.00 0.02 0.00 0.00 175.30 172.88 1ure s GLU 107 N 4.04 3.98 -0.53 3.54 2.12 0.24 -3.22 118.70 128.86 1ure s GLU 107 Ca 0.38 -2.03 -0.26 0.00 0.36 0.00 0.00 54.97 53.42 1ure s GLU 107 Cb -0.04 -5.45 -0.07 0.00 0.26 0.00 0.00 34.13 28.84 1ure s GLU 107 CO -0.06 -2.17 2.33 0.42 -0.54 0.00 0.00 175.26 175.23 1ure s ILE 108 N 3.85 3.06 -0.84 -3.70 1.01 -1.26 -2.78 121.20 120.53 1ure s ILE 108 Ca 0.51 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 1ure s ILE 108 Cb 0.03 -3.15 0.21 0.00 0.01 0.00 0.00 42.46 39.55 1ure s ILE 108 CO 0.05 -0.15 0.82 -0.55 0.00 0.00 0.00 174.94 175.11 1ure s SER 109 N 11.55 6.75 1.69 3.58 0.15 0.38 -4.94 113.70 132.87 1ure s SER 109 Ca 0.93 -2.61 0.00 0.00 0.70 0.00 0.00 55.95 54.96 1ure s SER 109 Cb -0.16 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1ure s SER 109 CO 0.24 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1ure n GLY 110 N 4.16 3.71 0.30 9.45 0.00 -1.26 -1.57 105.19 119.97 1ure n GLY 110 Ca 0.15 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.96 1.61 2.35 -1.97 -3.43 115.58 111.18 1ure h ASN 111 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1ure h ASN 111 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1ure h ASN 111 CO 0.00 0.03 -0.29 -1.61 -1.65 0.00 0.00 177.43 173.92 1ure s GLU 112 N -3.98 3.75 0.06 0.81 8.01 -0.61 -4.24 118.70 122.49 1ure s GLU 112 Ca -0.02 0.19 0.02 0.00 0.01 0.00 0.00 54.97 55.17 1ure s GLU 112 Cb 0.12 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.76 1ure s GLU 112 CO 0.51 0.67 0.13 -1.17 0.01 0.00 0.00 175.26 175.40 1ure s LEU 113 N -1.37 4.01 -0.29 1.80 0.20 -0.77 0.14 118.68 122.41 1ure s LEU 113 Ca 0.25 0.11 -0.01 0.00 0.69 0.00 0.00 54.13 55.17 1ure s LEU 113 Cb -0.15 -2.63 0.13 0.00 -0.43 0.00 0.00 46.19 43.12 1ure s LEU 113 CO 0.13 0.18 0.29 -0.63 -0.29 0.00 0.00 176.35 176.04 1ure s ILE 114 N -1.41 -0.40 0.57 6.68 1.01 -1.12 0.72 121.20 127.26 1ure s ILE 114 Ca 0.31 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 1ure s ILE 114 Cb -0.12 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1ure s ILE 114 CO 0.23 -0.46 1.05 -1.10 0.00 0.00 0.00 174.94 174.66 1ure s GLN 115 N 2.36 3.44 0.00 2.79 -0.21 -0.35 0.79 119.66 128.48 1ure s GLN 115 Ca 0.09 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.67 1ure s GLN 115 Cb -0.14 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1ure s GLN 115 CO -0.32 -0.71 0.00 -2.37 -2.12 0.00 0.00 175.29 169.77 1ure n THR 116 N -1.86 0.00 0.00 -0.19 5.66 -0.68 0.73 114.28 117.93 1ure n THR 116 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ure n THR 116 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -0.07 0.00 -3.28 1.09 4.01 -1.24 0.22 117.16 117.89 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 -2.37 -0.46 0.00 0.00 176.86 174.03 1ure n THR 118 N 3.21 0.00 -0.03 -0.72 5.66 0.07 0.58 114.28 123.05 1ure n THR 118 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1ure n THR 118 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1ure n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ure n TYR 119 N 0.00 0.00 0.07 1.09 9.36 -1.26 0.20 117.16 126.62 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 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.45 1ure n TYR 119 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ure n GLU 120 N -3.52 0.00 -0.26 2.98 1.02 -1.26 -2.54 120.64 117.05 1ure n GLU 120 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1ure n GLU 120 Cb 0.48 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ure n GLY 121 N 3.02 0.91 2.83 0.62 0.00 -1.26 -5.05 105.19 106.26 1ure n GLY 121 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.25 0.49 1.61 1.01 -1.26 -5.08 120.40 118.42 1ure s VAL 122 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.42 1ure s VAL 122 Cb 0.00 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.67 1ure s VAL 122 CO 0.00 -0.51 0.42 -1.84 0.00 0.00 0.00 175.10 173.18 1ure n GLU 123 N 4.71 -1.97 -3.09 2.72 0.28 -1.26 -4.45 120.64 117.59 1ure n GLU 123 Ca -0.03 -0.68 0.03 0.00 -0.16 0.00 0.00 57.16 56.32 1ure n GLU 123 Cb 0.43 -0.65 -0.00 0.00 1.43 0.00 0.00 31.44 32.65 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ure s ALA 124 N -2.91 -3.16 0.32 -1.84 0.00 0.20 -4.32 121.76 110.04 1ure s ALA 124 Ca 0.28 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 1ure s ALA 124 Cb -0.03 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 1ure s ALA 124 CO 0.21 -2.13 1.01 0.15 0.00 0.00 0.00 175.76 175.00 1ure s LYS 125 N 2.42 4.53 -0.51 0.00 3.01 -1.26 -3.72 119.74 124.21 1ure s LYS 125 Ca 0.17 1.52 0.03 0.00 -1.01 0.00 0.00 55.97 56.68 1ure s LYS 125 Cb -0.04 -2.90 0.16 0.00 -1.01 0.00 0.00 37.83 34.04 1ure s LYS 125 CO -0.18 0.19 0.34 1.03 0.51 0.00 0.00 175.35 177.24 1ure s ARG 126 N -1.89 1.52 -0.82 1.68 3.00 0.22 -0.72 118.95 121.94 1ure s ARG 126 Ca 0.49 -2.43 -0.25 0.00 0.00 0.00 0.00 55.73 53.55 1ure s ARG 126 Cb -0.24 -2.38 -0.03 0.00 0.00 0.00 0.00 34.95 32.30 1ure s ARG 126 CO 0.30 -1.26 1.87 0.42 0.00 0.00 0.00 175.30 176.63 1ure s ILE 127 N -0.26 3.46 0.23 1.52 -1.09 -0.28 -1.22 121.20 123.57 1ure s ILE 127 Ca 0.24 -0.21 -0.13 0.00 -2.23 0.00 0.00 60.65 58.32 1ure s ILE 127 Cb -0.10 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 1ure s ILE 127 CO -0.11 -1.03 0.61 0.12 -1.23 0.00 0.00 174.94 173.31 1ure s PHE 128 N 9.32 3.47 -0.35 3.97 5.36 0.22 -3.54 117.98 136.44 1ure s PHE 128 Ca 0.67 1.05 0.09 0.00 -0.96 0.00 0.00 56.93 57.77 1ure s PHE 128 Cb -0.08 -2.39 0.74 0.00 -0.34 0.00 0.00 43.02 40.95 1ure s PHE 128 CO 0.05 0.27 1.82 1.63 -1.46 0.00 0.00 175.22 177.53 1ure n LYS 129 N 0.09 3.52 -3.02 10.12 4.76 -1.26 -1.85 118.16 130.52 1ure n LYS 129 Ca -0.00 -3.04 -0.01 0.00 -2.87 0.00 0.00 58.31 52.39 1ure n LYS 129 Cb 0.52 -2.21 -0.01 0.00 -1.84 0.00 0.00 35.03 31.49 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 -0.27 -1.62 0.00 1.97 4.81 -1.26 -4.91 118.16 116.88 1ure n LYS 130 Ca 0.44 1.52 0.00 0.00 -0.87 0.00 0.00 58.31 59.40 1ure n LYS 130 Cb 1.43 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 34.76 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66