#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure s PHE 2 N 0.00 4.04 -0.33 0.00 0.40 -1.26 -4.91 117.98 115.92 1ure s PHE 2 Ca 0.00 -2.83 0.05 0.00 -0.60 0.00 0.00 56.93 53.55 1ure s PHE 2 Cb 0.00 -3.52 0.18 0.00 0.51 0.00 0.00 43.02 40.19 1ure s PHE 2 CO 0.00 -0.84 0.53 0.34 0.70 0.00 0.00 175.22 175.95 1ure s ASP 3 N 0.61 -0.80 0.00 1.36 2.15 -1.26 -4.23 116.67 114.50 1ure s ASP 3 Ca 0.28 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1ure s ASP 3 Cb -0.09 1.62 0.00 0.00 -0.30 0.00 0.00 42.92 44.16 1ure s ASP 3 CO -0.10 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1ure n GLY 4 N 5.01 0.26 3.67 2.66 0.00 0.65 -5.02 105.19 112.43 1ure n GLY 4 Ca 0.06 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.76 3.65 -0.21 2.61 -1.32 -1.26 0.98 115.64 116.34 1ure s THR 5 Ca 0.00 -1.69 -0.04 0.00 -1.21 0.00 0.00 61.69 58.75 1ure s THR 5 Cb 0.00 -2.91 0.11 0.00 -1.51 0.00 0.00 72.50 68.18 1ure s THR 5 CO 0.00 -0.28 0.33 0.26 -2.21 0.00 0.00 174.62 172.72 1ure s TRP 6 N -2.09 -0.64 -0.47 9.09 0.52 0.17 -1.10 118.94 124.43 1ure s TRP 6 Ca 0.30 0.82 -0.11 0.00 0.02 0.00 0.00 56.10 57.13 1ure s TRP 6 Cb -0.08 -0.03 0.11 0.00 -1.15 0.00 0.00 33.47 32.32 1ure s TRP 6 CO 0.20 -0.60 0.35 0.21 0.02 0.00 0.00 176.95 177.13 1ure s LYS 7 N 2.49 2.65 0.19 4.98 2.36 -1.26 0.14 119.74 131.28 1ure s LYS 7 Ca 0.08 -1.63 -0.32 0.00 -2.55 0.00 0.00 55.97 51.55 1ure s LYS 7 Cb -0.14 -3.97 -0.16 0.00 -1.05 0.00 0.00 37.83 32.50 1ure s LYS 7 CO -0.13 -1.14 1.07 1.55 1.55 0.00 0.00 175.35 178.24 1ure n VAL 8 N 5.00 1.16 -0.22 4.02 3.14 -0.74 -3.78 118.33 126.92 1ure n VAL 8 Ca -0.10 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1ure n VAL 8 Cb 0.41 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 1.84 0.00 -0.03 6.55 2.03 -0.86 -4.77 116.55 121.31 1ure n ASP 9 Ca 0.15 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.38 1ure n ASP 9 Cb 0.25 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 1ure n ASP 9 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ure n ARG 10 N 0.00 0.25 -1.28 -0.67 3.00 -1.13 -5.09 116.66 111.73 1ure n ARG 10 Ca 0.00 0.10 0.16 0.00 -0.00 0.00 0.00 57.85 58.11 1ure n ARG 10 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 32.46 31.46 1ure n ARG 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ure n ASN 11 N -3.78 -7.40 -3.15 6.15 3.02 -1.25 -4.92 115.26 103.92 1ure n ASN 11 Ca -0.13 1.08 0.05 0.00 -0.03 0.00 0.00 54.58 55.55 1ure n ASN 11 Cb 0.41 -4.27 -0.00 0.00 -0.61 0.00 0.00 39.78 35.30 1ure n ASN 11 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ure s GLU 12 N -3.57 0.25 0.00 3.52 0.41 0.42 -4.77 118.70 114.96 1ure s GLU 12 Ca 0.00 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 1ure s GLU 12 Cb 0.00 0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.50 1ure s GLU 12 CO 0.00 -0.40 0.00 -1.71 -0.49 0.00 0.00 175.26 172.66 1ure n ASN 13 N 5.27 0.00 -0.23 -0.19 5.15 -1.26 0.75 115.26 124.74 1ure n ASN 13 Ca 0.04 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.22 1ure n ASN 13 Cb 0.56 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 40.14 1ure n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ure n TYR 14 N -0.54 0.37 0.08 1.20 4.11 -1.26 0.09 117.16 121.20 1ure n TYR 14 Ca 0.00 0.38 -0.11 0.00 -0.00 0.00 0.00 57.90 58.17 1ure n TYR 14 Cb 0.00 -0.75 -0.02 0.00 -0.00 0.00 0.00 39.34 38.57 1ure n TYR 14 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1ure h GLU 15 N 0.00 0.30 0.00 -3.48 4.39 -1.92 -3.13 114.58 110.74 1ure h GLU 15 Ca 0.44 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1ure h GLU 15 Cb 1.40 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1ure h GLU 15 CO -0.25 1.02 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.83 1ure h LYS 16 N 0.17 0.00 0.00 2.33 1.63 -0.76 -3.02 116.57 116.92 1ure h LYS 16 Ca -0.06 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 1ure h LYS 16 Cb 1.52 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.13 1ure h LYS 16 CO 0.15 0.57 -0.53 0.35 -3.45 0.00 0.00 179.45 176.53 1ure h PHE 17 N 0.00 0.00 0.00 1.91 3.57 -1.52 -2.01 116.94 118.89 1ure h PHE 17 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ure h PHE 17 Cb 1.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 1ure h PHE 17 CO 0.00 0.53 -0.04 0.52 -2.23 0.00 0.00 178.31 177.09 1ure h MET 18 N 0.00 0.00 0.03 1.11 2.86 -1.48 -3.21 114.93 114.24 1ure h MET 18 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1ure h MET 18 Cb 0.98 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1ure h MET 18 CO 0.07 0.04 -1.06 1.49 1.06 0.00 0.00 176.91 178.51 1ure h GLU 19 N 0.00 0.06 0.00 1.72 4.22 -1.27 -0.51 114.58 118.80 1ure h GLU 19 Ca -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 1ure h GLU 19 Cb 1.02 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ure h GLU 19 CO 0.00 1.05 -0.08 -0.22 -2.18 0.00 0.00 179.01 177.58 1ure h LYS 20 N 0.02 0.00 0.05 1.92 3.64 -1.40 -3.04 116.57 117.76 1ure h LYS 20 Ca -0.04 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1ure h LYS 20 Cb 1.82 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.65 1ure h LYS 20 CO 0.15 0.08 -0.33 0.52 -2.27 0.00 0.00 179.45 177.59 1ure h MET 21 N 0.00 0.14 0.00 1.90 2.86 -1.64 -3.48 114.93 114.71 1ure h MET 21 Ca -0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1ure h MET 21 Cb 0.74 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1ure h MET 21 CO 0.01 1.06 0.00 0.41 1.06 0.00 0.00 176.91 179.45 1ure n GLY 22 N 1.50 0.80 3.69 8.32 0.00 -1.15 -5.08 105.19 113.27 1ure n GLY 22 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.01 4.20 0.45 -0.61 -1.09 -0.20 -4.96 121.20 117.98 1ure s ILE 23 Ca 0.00 1.55 -0.23 0.00 -2.23 0.00 0.00 60.65 59.74 1ure s ILE 23 Cb 0.00 -3.99 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 1ure s ILE 23 CO 0.00 0.02 0.95 -3.20 -1.23 0.00 0.00 174.94 171.49 1ure n ASN 24 N 4.94 0.96 -0.29 3.58 2.85 -1.26 -4.59 115.26 121.45 1ure n ASN 24 Ca 0.11 0.98 0.09 0.00 -0.11 0.00 0.00 54.58 55.65 1ure n ASN 24 Cb 0.46 -1.34 0.19 0.00 1.24 0.00 0.00 39.78 40.33 1ure n ASN 24 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1ure n VAL 25 N -0.75 -0.34 0.09 3.44 0.24 -1.26 -1.02 118.33 118.72 1ure n VAL 25 Ca 0.10 1.83 -0.04 0.00 -2.04 0.00 0.00 64.34 64.20 1ure n VAL 25 Cb 0.41 -2.62 -0.07 0.00 -1.47 0.00 0.00 33.84 30.09 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 1.44 -0.05 3.34 -1.51 -2.01 -3.33 116.25 114.13 1ure h VAL 26 Ca 0.45 -3.01 -0.13 0.00 -1.23 0.00 0.00 66.70 62.78 1ure h VAL 26 Cb 0.85 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.69 1ure h VAL 26 CO -0.80 0.82 -0.57 0.50 -1.23 0.00 0.00 177.57 176.28 1ure h LYS 27 N 0.00 0.14 0.00 5.19 3.64 -1.41 -2.66 116.57 121.46 1ure h LYS 27 Ca -0.01 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ure h LYS 27 Cb 1.63 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1ure h LYS 27 CO 0.11 0.67 -0.12 0.07 -2.27 0.00 0.00 179.45 177.90 1ure h ARG 28 N 0.11 0.00 -0.09 1.90 0.11 -1.51 -0.95 114.38 113.95 1ure h ARG 28 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1ure h ARG 28 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1ure h ARG 28 CO 0.08 0.12 -0.24 -0.22 0.10 0.00 0.00 179.97 179.81 1ure h LYS 29 N 0.00 0.32 0.00 0.08 3.64 -1.63 -2.04 116.57 116.94 1ure h LYS 29 Ca -0.00 -0.23 -0.15 0.00 -1.27 0.00 0.00 60.65 59.00 1ure h LYS 29 Cb 1.06 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1ure h LYS 29 CO 0.02 0.84 -0.71 1.25 -2.27 0.00 0.00 179.45 178.58 1ure h LEU 30 N -0.14 0.00 -0.81 5.20 5.85 -1.53 -3.03 115.31 120.86 1ure h LEU 30 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ure h LEU 30 Cb 0.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1ure h LEU 30 CO 0.05 0.71 -0.07 1.23 -0.34 0.00 0.00 178.44 180.02 1ure h GLY 31 N 2.57 0.00 0.34 3.75 0.00 -1.14 0.24 103.07 108.83 1ure h GLY 31 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ure h GLY 31 CO 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.53 1ure h ALA 32 N 1.93 0.02 -0.48 3.60 0.00 -1.25 -3.28 119.26 119.80 1ure h ALA 32 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ure h ALA 32 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ure h ALA 32 CO 0.01 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1ure n HIS 33 N -4.64 0.63 -0.29 0.00 -0.00 -1.17 -4.74 115.22 105.01 1ure n HIS 33 Ca -0.09 -0.31 0.27 0.00 -0.00 0.00 0.00 57.72 57.58 1ure n HIS 33 Cb 0.42 0.00 0.41 0.00 -0.00 0.00 0.00 29.99 30.82 1ure n HIS 33 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1ure n ASP 34 N 1.20 0.00 -0.31 0.41 5.68 0.84 -4.73 116.55 119.64 1ure n ASP 34 Ca 0.19 0.59 -0.03 0.00 -0.50 0.00 0.00 54.79 55.04 1ure n ASP 34 Cb 0.51 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 40.24 1ure n ASP 34 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1ure n ASN 35 N -2.91 -2.26 -4.61 -1.12 5.15 -1.26 -1.24 115.26 107.00 1ure n ASN 35 Ca 0.22 0.02 -0.51 0.00 -0.60 0.00 0.00 54.58 53.71 1ure n ASN 35 Cb 1.19 -1.14 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ure n LEU 36 N -0.41 2.77 -4.13 1.20 7.94 -1.26 -4.66 117.00 118.45 1ure n LEU 36 Ca -0.03 0.79 -0.37 0.00 -1.11 0.00 0.00 56.01 55.28 1ure n LEU 36 Cb 0.39 -1.29 -0.10 0.00 0.53 0.00 0.00 43.42 42.95 1ure n LEU 36 CO 0.04 -0.38 -0.04 -0.75 -1.11 0.00 0.00 177.39 175.15 1ure s LYS 37 N 4.72 2.37 0.28 1.96 2.20 -1.21 -1.79 119.74 128.27 1ure s LYS 37 Ca 1.00 -2.14 -0.28 0.00 -0.36 0.00 0.00 55.97 54.18 1ure s LYS 37 Cb -0.83 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 31.67 1ure s LYS 37 CO 0.54 -1.14 0.98 -0.51 -0.36 0.00 0.00 175.35 174.86 1ure s LEU 38 N 0.63 4.52 -0.57 5.43 1.43 0.37 -2.75 118.68 127.74 1ure s LEU 38 Ca 0.12 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.26 1ure s LEU 38 Cb -0.22 -3.76 0.20 0.00 0.03 0.00 0.00 46.19 42.44 1ure s LEU 38 CO -0.04 -0.00 0.50 0.41 0.23 0.00 0.00 176.35 177.46 1ure n THR 39 N 1.09 0.63 -2.03 5.49 -1.04 -0.48 0.46 114.28 118.40 1ure n THR 39 Ca -0.00 -4.40 -0.41 0.00 -2.04 0.00 0.00 64.05 57.19 1ure n THR 39 Cb 0.48 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.98 1ure n THR 39 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ure s ILE 40 N -1.18 2.72 -0.17 12.58 1.01 0.28 -2.33 121.20 134.10 1ure s ILE 40 Ca 0.31 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.53 1ure s ILE 40 Cb 0.05 -3.38 0.08 0.00 0.01 0.00 0.00 42.46 39.22 1ure s ILE 40 CO -0.14 0.10 0.24 -0.89 0.00 0.00 0.00 174.94 174.24 1ure s THR 41 N 0.01 -0.36 -0.03 2.92 2.01 -1.23 -0.25 115.64 118.70 1ure s THR 41 Ca 0.59 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.44 1ure s THR 41 Cb -0.41 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1ure s THR 41 CO 0.43 -0.07 0.54 -1.58 -0.69 0.00 0.00 174.62 173.25 1ure s GLN 42 N 2.37 4.27 -0.38 4.92 0.74 -1.26 -2.04 119.66 128.28 1ure s GLN 42 Ca 0.05 0.63 0.01 0.00 0.05 0.00 0.00 55.36 56.10 1ure s GLN 42 Cb -0.14 -3.35 0.13 0.00 1.10 0.00 0.00 33.01 30.75 1ure s GLN 42 CO -0.11 0.35 0.21 -2.00 -0.55 0.00 0.00 175.29 173.20 1ure s GLU 43 N -0.09 0.82 3.53 1.67 2.56 0.69 -4.99 118.70 122.89 1ure s GLU 43 Ca 0.29 -1.53 0.00 0.00 0.00 0.00 0.00 54.97 53.73 1ure s GLU 43 Cb -0.17 -1.73 0.00 0.00 2.00 0.00 0.00 34.13 34.23 1ure s GLU 43 CO 0.15 -1.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.09 1ure n GLY 44 N 3.96 0.93 0.09 -1.50 0.00 -1.26 -1.12 105.19 106.28 1ure n GLY 44 Ca 0.09 0.40 0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 6.81 1.01 -4.83 1.61 4.13 -1.26 -5.00 115.26 117.73 1ure n ASN 45 Ca 0.00 -1.00 -0.36 0.00 1.68 0.00 0.00 54.58 54.89 1ure n ASN 45 Cb 0.00 0.19 -0.07 0.00 -1.54 0.00 0.00 39.78 38.37 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ure s LYS 46 N -0.41 3.71 -0.27 3.52 2.20 -0.28 -2.55 119.74 125.67 1ure s LYS 46 Ca 0.03 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.53 1ure s LYS 46 Cb 0.02 -3.27 0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1ure s LYS 46 CO 0.05 0.61 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.52 1ure s PHE 47 N -0.56 3.12 -0.83 4.03 0.08 -1.25 -0.22 117.98 122.34 1ure s PHE 47 Ca 0.13 -2.30 -0.14 0.00 0.12 0.00 0.00 56.93 54.75 1ure s PHE 47 Cb -0.12 -2.00 0.22 0.00 -0.57 0.00 0.00 43.02 40.55 1ure s PHE 47 CO 0.03 -0.87 0.77 0.95 -0.10 0.00 0.00 175.22 176.00 1ure s THR 48 N 1.14 5.62 -0.72 0.64 -4.23 -0.87 -1.23 115.64 115.99 1ure s THR 48 Ca -0.05 -2.48 -0.26 0.00 -1.18 0.00 0.00 61.69 57.72 1ure s THR 48 Cb -0.20 -4.47 -0.07 0.00 1.34 0.00 0.00 72.50 69.11 1ure s THR 48 CO -0.06 -1.03 2.12 0.68 -0.54 0.00 0.00 174.62 175.79 1ure s VAL 49 N 0.15 3.24 0.37 2.29 -7.23 -0.52 -3.53 120.40 115.16 1ure s VAL 49 Ca 0.18 -0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 60.01 1ure s VAL 49 Cb -0.10 -3.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.17 1ure s VAL 49 CO -0.09 -0.54 1.40 -0.75 -0.31 0.00 0.00 175.10 174.81 1ure s LYS 50 N 7.70 4.15 -0.53 4.82 2.36 -0.98 0.13 119.74 137.40 1ure s LYS 50 Ca 0.80 2.39 0.06 0.00 -2.55 0.00 0.00 55.97 56.67 1ure s LYS 50 Cb -0.12 -2.96 0.23 0.00 -1.05 0.00 0.00 37.83 33.93 1ure s LYS 50 CO 0.12 -0.42 0.57 -1.91 1.55 0.00 0.00 175.35 175.26 1ure n GLU 51 N 0.50 1.44 -1.64 4.03 2.13 -1.26 -1.38 120.64 124.46 1ure n GLU 51 Ca 0.01 -3.91 -0.42 0.00 0.66 0.00 0.00 57.16 53.50 1ure n GLU 51 Cb 0.41 -1.81 -0.01 0.00 0.27 0.00 0.00 31.44 30.30 1ure n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ure n SER 52 N 1.51 4.02 -4.70 4.31 2.88 -1.11 -4.23 113.62 116.30 1ure n SER 52 Ca 0.25 -2.80 -0.24 0.00 -1.33 0.00 0.00 58.87 54.75 1ure n SER 52 Cb 0.45 -1.60 0.10 0.00 -0.75 0.00 0.00 64.21 62.42 1ure n SER 52 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ure s SER 53 N 3.32 4.42 0.53 -3.46 0.15 -1.21 -3.34 113.70 114.12 1ure s SER 53 Ca 0.49 -0.17 0.24 0.00 0.70 0.00 0.00 55.95 57.22 1ure s SER 53 Cb 0.14 -0.29 1.49 0.00 -1.71 0.00 0.00 66.02 65.65 1ure s SER 53 CO -0.07 -1.81 2.14 -1.13 1.20 0.00 0.00 173.24 173.57 1ure h ASN 54 N -0.55 0.00 0.31 5.45 -0.00 -1.44 -2.97 115.58 116.38 1ure h ASN 54 Ca -0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 55.90 1ure h ASN 54 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.60 1ure h ASN 54 CO 0.44 0.07 -0.15 -0.26 -0.00 0.00 0.00 177.43 177.53 1ure h PHE 55 N 0.00 -0.39 -1.86 0.67 0.04 -1.92 -3.49 116.94 109.99 1ure h PHE 55 Ca -0.00 -0.01 0.28 0.00 2.80 0.00 0.00 57.97 61.04 1ure h PHE 55 Cb 0.17 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.35 1ure h PHE 55 CO 0.00 -0.24 0.74 -0.98 -0.60 0.00 0.00 178.31 177.23 1ure s ARG 56 N -3.15 0.67 -1.28 1.51 1.70 -1.12 -5.04 118.95 112.24 1ure s ARG 56 Ca -0.06 -0.39 -0.07 0.00 -0.47 0.00 0.00 55.73 54.74 1ure s ARG 56 Cb 0.01 0.21 0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1ure s ARG 56 CO 0.18 -0.31 2.04 0.09 -1.08 0.00 0.00 175.30 176.23 1ure n ASN 57 N -0.66 6.38 0.03 -2.89 4.13 -1.26 -3.30 115.26 117.69 1ure n ASN 57 Ca -0.06 -3.16 -0.22 0.00 1.68 0.00 0.00 54.58 52.82 1ure n ASN 57 Cb 0.61 -1.41 -0.14 0.00 -1.54 0.00 0.00 39.78 37.30 1ure n ASN 57 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1ure h ILE 58 N 3.24 0.84 -0.09 2.41 6.09 -1.97 -3.50 117.51 124.53 1ure h ILE 58 Ca 0.50 -2.41 0.00 0.00 -1.37 0.00 0.00 64.86 61.58 1ure h ILE 58 Cb 0.49 2.64 0.00 0.00 0.47 0.00 0.00 36.82 40.42 1ure h ILE 58 CO 1.54 0.83 -0.02 -0.67 -3.07 0.00 0.00 178.15 176.76 1ure n ASP 59 N -3.65 -1.01 -3.69 2.19 2.03 -1.26 -4.92 116.55 106.24 1ure n ASP 59 Ca -0.28 0.03 -0.28 0.00 0.52 0.00 0.00 54.79 54.78 1ure n ASP 59 Cb 1.02 0.86 -0.12 0.00 -0.72 0.00 0.00 41.12 42.16 1ure n ASP 59 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ure s VAL 60 N -2.36 1.57 0.00 5.18 1.01 0.36 -4.79 120.40 121.36 1ure s VAL 60 Ca 0.00 -3.07 -0.19 0.00 0.00 0.00 0.00 61.98 58.72 1ure s VAL 60 Cb 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 1ure s VAL 60 CO 0.00 -1.01 0.54 0.68 0.00 0.00 0.00 175.10 175.31 1ure s VAL 61 N -0.23 4.92 -0.34 2.92 -7.23 -1.26 -1.44 120.40 117.74 1ure s VAL 61 Ca 0.23 1.12 -0.01 0.00 -1.81 0.00 0.00 61.98 61.52 1ure s VAL 61 Cb -0.12 -3.87 0.12 0.00 0.56 0.00 0.00 36.38 33.07 1ure s VAL 61 CO -0.09 0.47 0.17 0.72 -0.31 0.00 0.00 175.10 176.06 1ure s PHE 62 N -0.49 0.92 -0.15 2.82 -0.12 -0.37 -4.97 117.98 115.62 1ure s PHE 62 Ca 0.28 -1.50 -0.34 0.00 -0.05 0.00 0.00 56.93 55.32 1ure s PHE 62 Cb -0.18 -1.17 -0.11 0.00 -0.63 0.00 0.00 43.02 40.93 1ure s PHE 62 CO 0.16 -0.83 1.95 -1.91 -0.05 0.00 0.00 175.22 174.54 1ure n GLU 63 N 4.52 1.95 -1.52 1.99 2.13 -1.26 -3.87 120.64 124.58 1ure n GLU 63 Ca 0.03 0.69 -0.26 0.00 0.66 0.00 0.00 57.16 58.28 1ure n GLU 63 Cb 0.39 -2.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.31 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ure n LEU 64 N 7.51 0.24 -0.27 4.31 4.32 -1.06 -1.00 117.00 131.06 1ure n LEU 64 Ca 0.26 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1ure n LEU 64 Cb 0.29 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 1ure n LEU 64 CO 0.74 -1.61 0.00 0.61 -1.22 0.00 0.00 177.39 175.90 1ure n GLY 65 N 6.12 0.50 0.01 -0.72 0.00 -1.26 -5.03 105.19 104.80 1ure n GLY 65 Ca 0.58 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.54 1ure n GLY 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ure n VAL 66 N -0.27 0.00 -2.16 1.61 3.14 -0.17 -5.08 118.33 115.40 1ure n VAL 66 Ca 0.00 -0.40 -0.02 0.00 -2.96 0.00 0.00 64.34 60.96 1ure n VAL 66 Cb 0.13 0.11 -0.02 0.00 -1.06 0.00 0.00 33.84 33.00 1ure n VAL 66 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ure n ASP 67 N -2.10 -4.21 -4.26 6.55 -0.08 -1.26 -5.06 116.55 106.12 1ure n ASP 67 Ca -0.03 1.21 -0.15 0.00 -1.51 0.00 0.00 54.79 54.31 1ure n ASP 67 Cb 0.46 -4.19 -0.10 0.00 2.34 0.00 0.00 41.12 39.63 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1ure s PHE 68 N -0.47 1.32 -0.15 -0.67 -0.71 -1.13 -4.97 117.98 111.20 1ure s PHE 68 Ca -0.11 -0.80 -0.02 0.00 -1.04 0.00 0.00 56.93 54.95 1ure s PHE 68 Cb 0.01 -0.69 -0.02 0.00 -1.21 0.00 0.00 43.02 41.10 1ure s PHE 68 CO 0.30 0.05 -0.07 0.00 -1.34 0.00 0.00 175.22 174.16 1ure s ALA 69 N -3.36 2.87 -0.35 1.99 0.00 -1.26 -2.33 121.76 119.33 1ure s ALA 69 Ca 0.19 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1ure s ALA 69 Cb 0.03 -1.44 0.11 0.00 0.00 0.00 0.00 23.12 21.83 1ure s ALA 69 CO 0.02 0.23 0.15 -0.47 0.00 0.00 0.00 175.76 175.69 1ure s TYR 70 N 0.34 1.60 0.35 0.00 5.04 0.29 -4.95 117.35 120.03 1ure s TYR 70 Ca -0.06 -1.85 -0.28 0.00 -2.44 0.00 0.00 57.07 52.44 1ure s TYR 70 Cb -0.15 -1.64 -0.10 0.00 0.35 0.00 0.00 41.96 40.43 1ure s TYR 70 CO 0.04 -0.85 1.29 0.45 -1.34 0.00 0.00 175.55 175.15 1ure s SER 71 N 1.28 6.66 1.03 4.32 0.15 -1.26 -2.86 113.70 123.01 1ure s SER 71 Ca 0.13 2.65 -0.08 0.00 0.70 0.00 0.00 55.95 59.35 1ure s SER 71 Cb -0.20 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.59 1ure s SER 71 CO -0.17 -0.61 0.61 0.18 1.20 0.00 0.00 173.24 174.45 1ure n LEU 72 N 0.61 0.00 0.21 3.45 7.99 -1.21 -4.88 117.00 123.17 1ure n LEU 72 Ca 0.01 -0.66 0.12 0.00 -0.01 0.00 0.00 56.01 55.47 1ure n LEU 72 Cb 0.42 -0.48 0.17 0.00 -0.11 0.00 0.00 43.42 43.42 1ure n LEU 72 CO 0.58 -1.11 0.78 0.00 -1.51 0.00 0.00 177.39 176.13 1ure h ALA 73 N -2.02 0.98 0.00 -1.18 0.00 -1.93 -3.41 119.26 111.70 1ure h ALA 73 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ure h ALA 73 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ure h ALA 73 CO 0.14 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.92 1ure n ASP 74 N -3.03 0.00 0.00 0.00 2.03 -1.26 -4.95 116.55 109.34 1ure n ASP 74 Ca 0.04 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.43 1ure n ASP 74 Cb 0.53 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 41.37 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 -0.49 -0.53 0.20 0.27 0.00 -1.26 -5.00 105.19 98.38 1ure n GLY 75 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1ure n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ure n THR 76 N -1.05 -0.08 -0.68 2.61 5.66 -1.26 -4.84 114.28 114.65 1ure n THR 76 Ca 0.11 0.11 -0.22 0.00 -3.05 0.00 0.00 64.05 60.99 1ure n THR 76 Cb 0.06 -0.17 -0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ure n GLU 77 N -2.52 0.00 -3.15 1.09 4.71 -1.26 -3.30 120.64 116.21 1ure n GLU 77 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.18 1ure n GLU 77 Cb 0.10 -0.52 -0.00 0.00 -1.01 0.00 0.00 31.44 30.01 1ure n GLU 77 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ure s LEU 78 N 2.08 -1.55 0.00 -4.62 2.96 -1.14 -4.33 118.68 112.09 1ure s LEU 78 Ca 0.31 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1ure s LEU 78 Cb -0.36 2.03 0.02 0.00 0.50 0.00 0.00 46.19 48.38 1ure s LEU 78 CO 0.32 -0.28 0.16 0.41 -1.32 0.00 0.00 176.35 175.64 1ure n THR 79 N 5.41 0.00 0.00 3.68 -1.04 0.30 -0.54 114.28 122.08 1ure n THR 79 Ca 0.04 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1ure n THR 79 Cb 0.54 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1ure n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ure n GLY 80 N 3.05 0.22 3.68 3.41 0.00 -0.98 -0.73 105.19 113.83 1ure n GLY 80 Ca 0.02 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 0.00 0.00 2.61 -4.23 0.23 -2.86 115.64 111.39 1ure s THR 81 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ure s THR 81 Cb 0.00 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1ure s THR 81 CO 0.00 0.00 0.00 -2.67 -0.54 0.00 0.00 174.62 171.41 1ure n TRP 82 N -0.41 -1.06 0.00 3.99 4.27 -1.26 0.59 117.44 123.57 1ure n TRP 82 Ca -0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 1ure n TRP 82 Cb 0.61 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.56 1ure n TRP 82 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 1ure n THR 83 N -0.83 0.00 -3.07 -1.67 5.66 -0.47 -4.42 114.28 109.48 1ure n THR 83 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1ure n THR 83 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ure n THR 83 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1ure s MET 84 N -0.11 4.18 -0.52 1.09 1.75 -1.26 0.16 119.30 124.59 1ure s MET 84 Ca 0.00 0.66 0.03 0.00 -1.25 0.00 0.00 55.69 55.13 1ure s MET 84 Cb 0.00 -3.61 0.43 0.00 2.84 0.00 0.00 34.83 34.49 1ure s MET 84 CO 0.00 -0.33 1.52 -0.85 -0.65 0.00 0.00 175.02 174.71 1ure n GLU 85 N 5.39 3.19 -1.54 4.11 -0.00 0.68 -4.95 120.64 127.52 1ure n GLU 85 Ca 0.00 -3.93 0.00 0.00 -0.00 0.00 0.00 57.16 53.23 1ure n GLU 85 Cb 0.49 -2.27 0.00 0.00 -0.00 0.00 0.00 31.44 29.66 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ure n GLY 86 N -0.67 -4.14 4.67 -1.84 0.00 -1.26 -4.42 105.19 97.53 1ure n GLY 86 Ca 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ure n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ure n ASN 87 N 0.79 0.00 -4.14 1.61 5.15 -1.26 -4.89 115.26 112.52 1ure n ASN 87 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1ure n ASN 87 Cb 0.00 -0.26 -0.14 0.00 -0.53 0.00 0.00 39.78 38.84 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 0.00 1.08 0.20 1.20 3.01 -1.26 -4.96 119.74 119.01 1ure s LYS 88 Ca 0.00 -0.65 -0.04 0.00 -1.01 0.00 0.00 55.97 54.28 1ure s LYS 88 Cb 0.00 -1.08 -0.05 0.00 -1.01 0.00 0.00 37.83 35.69 1ure s LYS 88 CO 0.00 0.28 0.43 -0.51 0.51 0.00 0.00 175.35 176.07 1ure s LEU 89 N -0.73 4.20 0.16 3.17 1.43 0.26 -0.23 118.68 126.93 1ure s LEU 89 Ca 0.04 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1ure s LEU 89 Cb -0.07 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1ure s LEU 89 CO 0.00 -0.05 0.02 -0.69 0.23 0.00 0.00 176.35 175.87 1ure s VAL 90 N -1.84 0.47 -0.31 -1.59 1.01 0.43 0.15 120.40 118.72 1ure s VAL 90 Ca 0.41 -1.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 1ure s VAL 90 Cb -0.11 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.29 1ure s VAL 90 CO 0.27 -0.48 0.12 -0.83 0.00 0.00 0.00 175.10 174.17 1ure s GLY 91 N -3.12 0.98 -0.20 4.51 0.00 -1.26 -1.36 107.32 106.86 1ure s GLY 91 Ca 0.24 -1.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 1ure s GLY 91 CO 0.03 1.72 0.21 0.54 0.00 0.00 0.00 173.10 175.60 1ure s LYS 92 N 1.63 4.17 -0.03 2.90 1.02 0.20 0.11 119.74 129.74 1ure s LYS 92 Ca 0.10 -0.11 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 1ure s LYS 92 Cb -0.18 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1ure s LYS 92 CO -0.25 0.17 0.05 -0.06 -0.92 0.00 0.00 175.35 174.33 1ure s PHE 93 N 0.71 0.00 -0.17 3.18 0.08 -0.20 0.78 117.98 122.37 1ure s PHE 93 Ca 0.11 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 1ure s PHE 93 Cb -0.13 -0.21 -0.00 0.00 -0.57 0.00 0.00 43.02 42.11 1ure s PHE 93 CO 0.02 -0.10 -0.13 0.15 -0.10 0.00 0.00 175.22 175.07 1ure s LYS 94 N 1.04 3.26 0.00 0.44 1.02 0.09 0.20 119.74 125.79 1ure s LYS 94 Ca -0.09 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1ure s LYS 94 Cb -0.12 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1ure s LYS 94 CO -0.03 -0.03 0.00 2.89 -0.92 0.00 0.00 175.35 177.26 1ure n ARG 95 N 4.22 -0.46 0.00 1.68 -4.01 -1.26 0.11 116.66 116.94 1ure n ARG 95 Ca -0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 1ure n ARG 95 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 1ure n ARG 95 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1ure n VAL 96 N -2.34 0.01 -0.17 8.89 0.31 -1.26 -4.23 118.33 119.54 1ure n VAL 96 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1ure n VAL 96 Cb 0.00 -1.27 0.16 0.00 -0.91 0.00 0.00 33.84 31.82 1ure n VAL 96 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ure n ASP 97 N -2.89 2.97 -0.04 4.52 2.03 -1.26 -4.52 116.55 117.35 1ure n ASP 97 Ca 0.00 -1.98 0.03 0.00 0.52 0.00 0.00 54.79 53.35 1ure n ASP 97 Cb 0.38 -0.24 -0.15 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.60 0.37 -0.07 1.67 5.15 -1.26 -5.00 115.26 116.71 1ure n ASN 98 Ca 0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.09 1ure n ASN 98 Cb 0.44 1.55 -0.00 0.00 -0.53 0.00 0.00 39.78 41.23 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 1.54 0.38 0.00 8.20 0.00 -1.26 -4.98 105.19 109.07 1ure n GLY 99 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ure n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ure n LYS 100 N -1.53 3.80 -3.51 1.61 5.02 -1.26 -5.05 118.16 117.25 1ure n LYS 100 Ca -0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1ure n LYS 100 Cb 0.21 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.20 1ure n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ure s GLU 101 N 3.33 1.33 0.05 1.97 2.12 -1.26 -4.26 118.70 121.99 1ure s GLU 101 Ca 0.00 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 1ure s GLU 101 Cb 0.00 0.57 -0.02 0.00 0.26 0.00 0.00 34.13 34.94 1ure s GLU 101 CO 0.00 -0.59 0.05 -1.17 -0.54 0.00 0.00 175.26 173.01 1ure s LEU 102 N -2.76 2.08 0.04 2.70 2.96 0.53 -3.78 118.68 120.45 1ure s LEU 102 Ca 0.03 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 1ure s LEU 102 Cb -0.02 0.46 0.02 0.00 0.50 0.00 0.00 46.19 47.15 1ure s LEU 102 CO -0.09 -0.57 0.31 -0.51 -1.32 0.00 0.00 176.35 174.17 1ure s ILE 103 N -3.34 0.08 0.08 6.68 2.07 -1.21 -1.03 121.20 124.53 1ure s ILE 103 Ca 0.01 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 1ure s ILE 103 Cb 0.03 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.70 1ure s ILE 103 CO -0.08 -0.36 0.03 0.00 -1.91 0.00 0.00 174.94 172.63 1ure n ALA 104 N 0.60 0.12 -2.71 1.50 0.00 0.31 -0.44 120.51 119.90 1ure n ALA 104 Ca -0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 1ure n ALA 104 Cb 0.59 0.30 0.04 0.00 0.00 0.00 0.00 19.45 20.38 1ure n ALA 104 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ure n VAL 105 N -0.19 0.00 -1.85 0.00 3.14 -1.23 -4.02 118.33 114.19 1ure n VAL 105 Ca -0.01 -0.66 -0.24 0.00 -2.96 0.00 0.00 64.34 60.47 1ure n VAL 105 Cb 0.13 0.91 -0.05 0.00 -1.06 0.00 0.00 33.84 33.76 1ure n VAL 105 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1ure s ARG 106 N 0.76 2.20 0.18 1.45 3.52 0.40 -3.58 118.95 123.88 1ure s ARG 106 Ca 0.27 0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1ure s ARG 106 Cb 0.12 -4.87 0.08 0.00 -1.56 0.00 0.00 34.95 28.72 1ure s ARG 106 CO -0.10 -3.68 1.46 1.49 -0.81 0.00 0.00 175.30 173.65 1ure h GLU 107 N 12.71 0.45 -6.30 5.12 4.81 -1.17 0.75 114.58 130.95 1ure h GLU 107 Ca 0.01 -0.34 -0.47 0.00 -0.13 0.00 0.00 59.36 58.42 1ure h GLU 107 Cb 1.04 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1ure h GLU 107 CO 1.14 0.97 -0.79 1.51 -0.73 0.00 0.00 179.01 181.10 1ure n ILE 108 N -3.88 -2.65 -1.90 2.32 0.13 -1.15 -4.76 119.36 107.47 1ure n ILE 108 Ca -0.04 -0.17 -0.39 0.00 -1.10 0.00 0.00 62.75 61.05 1ure n ILE 108 Cb 0.68 -2.97 -0.03 0.00 -0.84 0.00 0.00 39.64 36.47 1ure n ILE 108 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1ure s SER 109 N -3.66 5.26 0.00 9.51 0.15 0.20 -4.42 113.70 120.74 1ure s SER 109 Ca 0.45 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.94 1ure s SER 109 Cb -0.23 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1ure s SER 109 CO 0.84 -2.29 0.00 0.61 1.20 0.00 0.00 173.24 173.60 1ure n GLY 110 N 5.69 -0.19 2.28 9.45 0.00 -1.26 -0.55 105.19 120.61 1ure n GLY 110 Ca 0.25 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.48 1ure n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ure n ASN 111 N 0.28 1.77 -3.41 1.61 0.23 -1.26 -4.96 115.26 109.52 1ure n ASN 111 Ca 0.00 -2.28 -0.19 0.00 -0.53 0.00 0.00 54.58 51.58 1ure n ASN 111 Cb 0.00 -0.42 -0.10 0.00 -2.08 0.00 0.00 39.78 37.18 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ure s GLU 112 N -2.73 0.39 -1.14 -3.83 8.01 0.29 -3.69 118.70 115.99 1ure s GLU 112 Ca 0.32 -0.37 -0.16 0.00 0.01 0.00 0.00 54.97 54.76 1ure s GLU 112 Cb 0.35 -0.74 -0.06 0.00 -4.31 0.00 0.00 34.13 29.37 1ure s GLU 112 CO -0.07 -1.07 2.15 -0.11 0.01 0.00 0.00 175.26 176.17 1ure n LEU 113 N 5.03 5.69 -4.70 1.80 0.00 -1.26 -0.63 117.00 122.93 1ure n LEU 113 Ca 0.01 -3.53 -0.42 0.00 0.00 0.00 0.00 56.01 52.07 1ure n LEU 113 Cb 0.45 -1.37 -0.03 0.00 0.00 0.00 0.00 43.42 42.47 1ure n LEU 113 CO 0.03 0.53 1.00 -0.63 0.00 0.00 0.00 177.39 178.32 1ure s ILE 114 N 3.89 3.78 -0.33 1.96 1.01 -1.26 -4.21 121.20 126.05 1ure s ILE 114 Ca 0.52 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 62.38 1ure s ILE 114 Cb 0.14 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1ure s ILE 114 CO 0.00 0.06 0.06 -1.10 0.00 0.00 0.00 174.94 173.97 1ure s GLN 115 N 1.53 2.40 0.86 2.79 -0.21 -0.50 -0.84 119.66 125.70 1ure s GLN 115 Ca 0.61 -1.35 -0.12 0.00 0.02 0.00 0.00 55.36 54.53 1ure s GLN 115 Cb -0.31 -3.32 0.11 0.00 1.00 0.00 0.00 33.01 30.49 1ure s GLN 115 CO 0.28 -0.71 1.14 0.95 -2.12 0.00 0.00 175.29 174.83 1ure s THR 116 N 1.27 2.21 -0.34 -0.19 -4.23 -1.23 -1.97 115.64 111.15 1ure s THR 116 Ca -0.02 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1ure s THR 116 Cb -0.20 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1ure s THR 116 CO -0.01 -0.09 0.37 -0.31 -0.54 0.00 0.00 174.62 174.05 1ure s TYR 117 N -3.33 -0.48 -1.10 3.99 1.51 0.20 -3.47 117.35 114.66 1ure s TYR 117 Ca 0.63 -0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1ure s TYR 117 Cb -0.14 -0.36 0.24 0.00 -0.11 0.00 0.00 41.96 41.59 1ure s TYR 117 CO 0.52 -0.97 1.16 0.99 -1.11 0.00 0.00 175.55 176.15 1ure s THR 118 N 1.80 5.66 -0.65 -0.71 2.01 0.42 0.54 115.64 124.71 1ure s THR 118 Ca 0.14 -3.04 -0.24 0.00 0.31 0.00 0.00 61.69 58.86 1ure s THR 118 Cb -0.14 -4.68 0.05 0.00 0.01 0.00 0.00 72.50 67.74 1ure s THR 118 CO -0.14 -1.30 1.03 -0.47 -0.69 0.00 0.00 174.62 173.05 1ure s TYR 119 N -0.20 2.62 0.00 4.92 6.14 -1.22 -3.29 117.35 126.31 1ure s TYR 119 Ca 0.33 -0.29 0.00 0.00 0.64 0.00 0.00 57.07 57.74 1ure s TYR 119 Cb -0.08 -4.31 0.00 0.00 0.42 0.00 0.00 41.96 37.99 1ure s TYR 119 CO -0.06 -1.66 0.00 0.39 0.64 0.00 0.00 175.55 174.86 1ure n GLU 120 N 8.01 0.00 -0.68 4.97 -0.58 -1.25 -2.80 120.64 128.30 1ure n GLU 120 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 1ure n GLU 120 Cb 0.47 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.40 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 121 N 0.00 2.25 2.61 0.62 0.00 -1.26 -4.97 105.19 104.44 1ure n GLY 121 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.09 1.04 0.12 1.61 1.01 -1.12 -5.09 120.40 116.87 1ure s VAL 122 Ca 0.21 -2.51 -0.31 0.00 0.00 0.00 0.00 61.98 59.37 1ure s VAL 122 Cb 0.22 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 1ure s VAL 122 CO -0.05 -0.99 1.41 -0.70 0.00 0.00 0.00 175.10 174.77 1ure s GLU 123 N 0.32 4.31 -0.24 2.72 2.12 -1.24 -3.45 118.70 123.23 1ure s GLU 123 Ca 0.21 2.10 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 1ure s GLU 123 Cb -0.17 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.00 1ure s GLU 123 CO -0.05 -0.46 -0.07 0.00 -0.54 0.00 0.00 175.26 174.15 1ure s ALA 124 N 1.11 2.67 -0.13 6.30 0.00 0.19 -4.64 121.76 127.27 1ure s ALA 124 Ca 0.65 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1ure s ALA 124 Cb -0.37 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1ure s ALA 124 CO 0.30 -0.77 0.44 0.15 0.00 0.00 0.00 175.76 175.88 1ure s LYS 125 N 1.32 4.32 -0.58 0.00 3.01 0.23 -0.63 119.74 127.41 1ure s LYS 125 Ca 0.00 0.38 0.04 0.00 -1.01 0.00 0.00 55.97 55.38 1ure s LYS 125 Cb -0.16 -3.44 0.14 0.00 -1.01 0.00 0.00 37.83 33.36 1ure s LYS 125 CO -0.05 0.17 0.34 1.03 0.51 0.00 0.00 175.35 177.35 1ure s ARG 126 N 0.61 2.15 -0.12 1.68 0.52 -0.83 0.16 118.95 123.11 1ure s ARG 126 Ca 0.24 -2.87 -0.25 0.00 -0.52 0.00 0.00 55.73 52.33 1ure s ARG 126 Cb -0.15 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 1ure s ARG 126 CO 0.09 -1.17 0.82 0.42 0.02 0.00 0.00 175.30 175.48 1ure s ILE 127 N -0.68 4.92 0.18 1.52 -1.09 -1.26 -1.41 121.20 123.38 1ure s ILE 127 Ca 0.20 1.65 0.06 0.00 -2.23 0.00 0.00 60.65 60.32 1ure s ILE 127 Cb -0.19 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1ure s ILE 127 CO -0.06 0.09 0.13 -0.36 -1.23 0.00 0.00 174.94 173.52 1ure s PHE 128 N 1.70 3.10 -0.18 3.97 0.40 -1.26 -2.03 117.98 123.68 1ure s PHE 128 Ca 0.40 -0.05 0.14 0.00 -0.60 0.00 0.00 56.93 56.82 1ure s PHE 128 Cb -0.17 -1.48 0.28 0.00 0.51 0.00 0.00 43.02 42.16 1ure s PHE 128 CO 0.16 0.52 1.18 1.63 0.70 0.00 0.00 175.22 179.41 1ure n LYS 129 N -0.45 2.13 -2.23 0.44 5.02 -1.25 -4.10 118.16 117.72 1ure n LYS 129 Ca -0.08 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1ure n LYS 129 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.87 -4.73 0.00 1.97 4.81 -1.24 -4.89 118.16 113.20 1ure n LYS 130 Ca 0.13 3.39 0.00 0.00 -0.87 0.00 0.00 58.31 60.96 1ure n LYS 130 Cb 0.59 -4.12 0.00 0.00 0.02 0.00 0.00 35.03 31.52 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66