#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 -2.00 -3.56 0.00 3.72 -1.26 -5.00 117.46 109.36 1ure n PHE 2 Ca 0.00 0.85 -0.29 0.00 -0.05 0.00 0.00 57.45 57.96 1ure n PHE 2 Cb 0.00 -4.77 -0.14 0.00 -0.94 0.00 0.00 39.48 33.63 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ure s ASP 3 N -4.17 3.46 0.00 4.37 -1.08 -1.26 -4.48 116.67 113.50 1ure s ASP 3 Ca 0.03 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1ure s ASP 3 Cb -0.01 -0.48 0.00 0.00 -1.46 0.00 0.00 42.92 40.97 1ure s ASP 3 CO 0.66 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 176.57 1ure n GLY 4 N 4.75 0.06 3.53 2.66 0.00 0.16 -5.02 105.19 111.33 1ure n GLY 4 Ca 0.01 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.00 2.63 -0.06 2.61 -1.32 -1.26 -0.17 115.64 114.06 1ure s THR 5 Ca 0.00 -2.25 -0.11 0.00 -1.21 0.00 0.00 61.69 58.12 1ure s THR 5 Cb 0.00 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.52 1ure s THR 5 CO 0.00 -0.35 0.27 0.26 -2.21 0.00 0.00 174.62 172.60 1ure s TRP 6 N -2.49 -0.21 -0.28 9.09 0.52 0.30 -1.59 118.94 124.28 1ure s TRP 6 Ca 0.31 0.46 -0.01 0.00 0.02 0.00 0.00 56.10 56.87 1ure s TRP 6 Cb -0.04 0.08 0.09 0.00 -1.15 0.00 0.00 33.47 32.45 1ure s TRP 6 CO 0.17 -0.26 0.08 0.15 0.02 0.00 0.00 176.95 177.10 1ure s LYS 7 N -0.60 0.71 -0.13 4.98 1.02 -1.26 0.15 119.74 124.60 1ure s LYS 7 Ca -0.07 -0.87 -0.31 0.00 0.02 0.00 0.00 55.97 54.73 1ure s LYS 7 Cb -0.04 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 1ure s LYS 7 CO 0.02 -0.89 2.05 1.55 -0.92 0.00 0.00 175.35 177.16 1ure n VAL 8 N 4.92 0.51 -0.09 3.17 3.14 -0.26 -2.70 118.33 127.02 1ure n VAL 8 Ca -0.05 -0.24 -0.08 0.00 -2.96 0.00 0.00 64.34 61.01 1ure n VAL 8 Cb 0.43 -2.16 -0.16 0.00 -1.06 0.00 0.00 33.84 30.89 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 8.82 0.03 -3.15 6.55 -0.08 0.15 -4.60 116.55 124.27 1ure n ASP 9 Ca 0.27 0.01 0.03 0.00 -1.51 0.00 0.00 54.79 53.59 1ure n ASP 9 Cb 0.36 1.06 -0.00 0.00 2.34 0.00 0.00 41.12 44.87 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 -2.58 0.59 1.31 -0.67 1.70 -0.97 -5.03 118.95 113.30 1ure s ARG 10 Ca -0.10 0.18 -0.20 0.00 -0.47 0.00 0.00 55.73 55.14 1ure s ARG 10 Cb 0.07 0.16 0.33 0.00 -0.57 0.00 0.00 34.95 34.94 1ure s ARG 10 CO 0.84 -0.98 1.01 0.54 -1.08 0.00 0.00 175.30 175.63 1ure s ASN 11 N 2.44 -0.10 0.00 -2.89 2.20 -1.26 -3.59 114.94 111.74 1ure s ASN 11 Ca 0.14 0.83 0.00 0.00 -0.94 0.00 0.00 52.86 52.89 1ure s ASN 11 Cb -0.06 -1.19 0.00 0.00 -2.00 0.00 0.00 41.25 37.99 1ure s ASN 11 CO -0.18 -4.77 0.00 1.21 -2.94 0.00 0.00 177.10 170.42 1ure n GLU 12 N -5.23 0.00 -0.58 3.55 2.13 -1.04 -4.86 120.64 114.61 1ure n GLU 12 Ca 0.12 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.96 1ure n GLU 12 Cb 0.59 0.00 0.24 0.00 0.27 0.00 0.00 31.44 32.54 1ure n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ure n ASN 13 N -1.11 3.88 0.06 4.31 5.15 -1.26 -4.45 115.26 121.84 1ure n ASN 13 Ca 0.00 -2.62 -0.00 0.00 -0.60 0.00 0.00 54.58 51.36 1ure n ASN 13 Cb 0.00 -0.63 0.31 0.00 -0.53 0.00 0.00 39.78 38.93 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 2.27 0.39 0.00 1.20 5.03 -1.76 -2.89 116.97 121.22 1ure h TYR 14 Ca 0.04 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 1ure h TYR 14 Cb 1.50 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 39.66 1ure h TYR 14 CO 0.71 0.51 -0.15 1.05 -1.32 0.00 0.00 178.16 178.97 1ure h GLU 15 N 0.34 0.00 0.13 1.82 9.09 -1.92 -3.03 114.58 121.01 1ure h GLU 15 Ca 0.06 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.30 1ure h GLU 15 Cb 0.47 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.59 1ure h GLU 15 CO 0.03 0.15 -0.75 -0.22 0.05 0.00 0.00 179.01 178.26 1ure h LYS 16 N 0.00 0.28 0.00 1.06 3.64 -1.83 -3.28 116.57 116.44 1ure h LYS 16 Ca -0.00 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1ure h LYS 16 Cb 0.50 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ure h LYS 16 CO 0.02 1.23 -0.02 0.35 -2.27 0.00 0.00 179.45 178.76 1ure h PHE 17 N -0.41 0.00 0.00 1.91 3.57 -1.40 0.14 116.94 120.75 1ure h PHE 17 Ca -0.13 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.23 1ure h PHE 17 Cb 1.59 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 1ure h PHE 17 CO 0.20 0.02 -0.66 0.52 -2.23 0.00 0.00 178.31 176.16 1ure h MET 18 N 0.00 0.00 -0.22 1.11 2.86 -1.65 -2.92 114.93 114.12 1ure h MET 18 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1ure h MET 18 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1ure h MET 18 CO 0.00 0.66 -0.24 1.49 1.06 0.00 0.00 176.91 179.88 1ure h GLU 19 N 0.00 0.55 -0.06 1.72 4.22 -0.66 1.18 114.58 121.53 1ure h GLU 19 Ca -0.01 -0.30 -0.01 0.00 0.08 0.00 0.00 59.36 59.13 1ure h GLU 19 Cb 1.19 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ure h GLU 19 CO 0.09 0.89 -0.01 -0.22 -2.18 0.00 0.00 179.01 177.57 1ure h LYS 20 N 0.23 0.08 0.00 1.92 1.63 -1.44 -1.06 116.57 117.94 1ure h LYS 20 Ca 0.03 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1ure h LYS 20 Cb 0.80 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ure h LYS 20 CO 0.06 0.11 -0.08 0.52 -3.45 0.00 0.00 179.45 176.60 1ure h MET 21 N 0.08 0.00 0.00 1.90 2.86 -1.49 -3.47 114.93 114.82 1ure h MET 21 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ure h MET 21 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ure h MET 21 CO 0.00 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.46 1ure n GLY 22 N 1.06 1.79 3.26 8.32 0.00 -0.40 -5.00 105.19 114.22 1ure n GLY 22 Ca 0.03 0.00 -0.42 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 -2.00 4.51 -0.08 -0.61 1.01 0.40 -4.88 121.20 119.55 1ure s ILE 23 Ca 0.00 -1.55 0.14 0.00 0.00 0.00 0.00 60.65 59.23 1ure s ILE 23 Cb 0.00 -3.87 0.27 0.00 0.01 0.00 0.00 42.46 38.87 1ure s ILE 23 CO 0.00 -0.70 1.13 -0.46 0.00 0.00 0.00 174.94 174.91 1ure n ASN 24 N 5.01 1.19 0.00 3.58 6.94 -1.26 -3.06 115.26 127.65 1ure n ASN 24 Ca -0.10 -2.67 0.00 0.00 -0.02 0.00 0.00 54.58 51.79 1ure n ASN 24 Cb 0.41 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1ure n ASN 24 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1ure n VAL 25 N -0.45 0.00 0.20 3.53 0.24 -1.26 -5.03 118.33 115.56 1ure n VAL 25 Ca 0.09 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 1ure n VAL 25 Cb 0.80 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 33.42 1ure n VAL 25 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ure h VAL 26 N 0.00 0.43 0.00 3.34 2.07 -2.01 -3.30 116.25 116.78 1ure h VAL 26 Ca 0.00 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1ure h VAL 26 Cb 0.00 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1ure h VAL 26 CO 0.00 0.22 -0.40 0.11 0.02 0.00 0.00 177.57 177.52 1ure h LYS 27 N 0.00 0.00 0.00 1.57 1.57 -1.96 -2.42 116.57 115.33 1ure h LYS 27 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1ure h LYS 27 Cb 1.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1ure h LYS 27 CO 0.03 0.40 -0.79 0.07 -0.57 0.00 0.00 179.45 178.60 1ure h ARG 28 N 0.00 0.00 -0.44 3.15 0.11 -1.85 -1.68 114.38 113.67 1ure h ARG 28 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 1ure h ARG 28 Cb 0.99 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.06 1ure h ARG 28 CO 0.05 0.79 -0.16 -0.22 0.10 0.00 0.00 179.97 180.53 1ure h LYS 29 N 0.00 0.89 -0.06 0.08 3.64 -1.67 0.53 116.57 119.98 1ure h LYS 29 Ca -0.01 -0.37 -0.18 0.00 -1.27 0.00 0.00 60.65 58.82 1ure h LYS 29 Cb 1.59 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1ure h LYS 29 CO 0.10 1.01 -0.74 -0.07 -2.27 0.00 0.00 179.45 177.49 1ure h LEU 30 N 0.72 0.43 -0.36 5.20 3.38 -1.48 -3.10 115.31 120.12 1ure h LEU 30 Ca 0.10 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1ure h LEU 30 Cb 0.72 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1ure h LEU 30 CO 0.05 1.03 -0.80 1.23 0.09 0.00 0.00 178.44 180.04 1ure h GLY 31 N 1.37 0.00 1.67 0.83 0.00 -1.05 -3.08 103.07 102.81 1ure h GLY 31 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 1ure h GLY 31 CO 0.12 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 176.06 1ure h ALA 32 N 1.20 0.78 -0.01 3.60 0.00 0.07 -2.84 119.26 122.06 1ure h ALA 32 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ure h ALA 32 Cb 1.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ure h ALA 32 CO 0.10 0.72 0.00 1.58 0.00 0.00 0.00 179.25 181.65 1ure n HIS 33 N -3.89 0.01 -2.12 0.00 -0.00 -1.17 -4.85 115.22 103.20 1ure n HIS 33 Ca -0.03 -0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.29 1ure n HIS 33 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.58 1ure n HIS 33 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ure s ASP 34 N -1.97 5.47 -1.14 0.26 1.11 -1.07 -4.85 116.67 114.49 1ure s ASP 34 Ca 0.42 0.31 -0.08 0.00 0.18 0.00 0.00 52.55 53.38 1ure s ASP 34 Cb 0.21 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.60 1ure s ASP 34 CO 0.34 -2.22 2.37 -3.20 1.18 0.00 0.00 175.17 173.64 1ure n ASN 35 N 11.98 6.00 -4.70 0.27 4.05 -1.26 -4.69 115.26 126.91 1ure n ASN 35 Ca 0.18 -2.42 -0.65 0.00 0.45 0.00 0.00 54.58 52.14 1ure n ASN 35 Cb 0.51 -1.25 -0.10 0.00 1.23 0.00 0.00 39.78 40.18 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1ure n LEU 36 N 4.18 1.44 -4.32 1.20 7.94 -1.26 -4.69 117.00 121.49 1ure n LEU 36 Ca 0.55 1.11 -0.38 0.00 -1.11 0.00 0.00 56.01 56.18 1ure n LEU 36 Cb 0.18 -0.94 -0.12 0.00 0.53 0.00 0.00 43.42 43.06 1ure n LEU 36 CO 0.77 -0.74 -0.23 -0.75 -1.11 0.00 0.00 177.39 175.32 1ure s LYS 37 N 3.41 2.80 0.11 1.96 2.20 -0.83 -1.10 119.74 128.29 1ure s LYS 37 Ca 1.05 -1.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 1ure s LYS 37 Cb -1.40 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 31.34 1ure s LYS 37 CO 0.77 -0.62 0.45 -1.17 -0.36 0.00 0.00 175.35 174.41 1ure s LEU 38 N 1.47 4.33 -0.45 5.43 0.20 0.40 -1.56 118.68 128.51 1ure s LEU 38 Ca 0.00 0.86 0.03 0.00 0.69 0.00 0.00 54.13 55.71 1ure s LEU 38 Cb -0.19 -3.11 0.15 0.00 -0.43 0.00 0.00 46.19 42.61 1ure s LEU 38 CO 0.04 0.13 0.30 -0.89 -0.29 0.00 0.00 176.35 175.64 1ure s THR 39 N -1.45 0.97 -0.28 3.68 2.01 0.29 0.11 115.64 120.96 1ure s THR 39 Ca 0.35 -2.63 -0.29 0.00 0.31 0.00 0.00 61.69 59.43 1ure s THR 39 Cb -0.14 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1ure s THR 39 CO 0.19 -1.05 1.07 -0.63 -0.69 0.00 0.00 174.62 173.51 1ure s ILE 40 N 0.17 4.56 -0.32 1.82 1.01 0.75 -2.32 121.20 126.87 1ure s ILE 40 Ca 0.24 1.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 1ure s ILE 40 Cb -0.12 -4.37 0.04 0.00 0.01 0.00 0.00 42.46 38.03 1ure s ILE 40 CO -0.09 -0.37 0.05 -0.89 0.00 0.00 0.00 174.94 173.65 1ure s THR 41 N 3.50 3.37 -0.80 2.92 2.01 -1.24 0.39 115.64 125.79 1ure s THR 41 Ca 0.45 -1.25 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 1ure s THR 41 Cb -0.13 -2.91 0.08 0.00 0.01 0.00 0.00 72.50 69.54 1ure s THR 41 CO 0.12 -0.13 1.14 -1.58 -0.69 0.00 0.00 174.62 173.48 1ure s GLN 42 N 1.33 3.33 -0.76 4.92 0.74 -1.26 -2.27 119.66 125.68 1ure s GLN 42 Ca -0.03 -1.01 -0.04 0.00 0.05 0.00 0.00 55.36 54.33 1ure s GLN 42 Cb -0.20 -4.58 0.19 0.00 1.10 0.00 0.00 33.01 29.52 1ure s GLN 42 CO 0.01 -1.93 0.62 -1.21 -0.55 0.00 0.00 175.29 172.23 1ure s GLU 43 N 4.16 2.99 1.98 1.67 2.02 -1.00 -4.89 118.70 125.63 1ure s GLU 43 Ca 0.31 -2.84 0.00 0.00 0.02 0.00 0.00 54.97 52.46 1ure s GLU 43 Cb -0.09 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.23 1ure s GLU 43 CO 0.03 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.49 1ure n GLY 44 N 3.05 1.76 0.34 -1.39 0.00 -1.26 -2.82 105.19 104.88 1ure n GLY 44 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 5.26 1.68 -4.70 1.61 3.02 -1.26 -5.05 115.26 115.83 1ure n ASN 45 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1ure n ASN 45 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1ure n ASN 45 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ure n LYS 46 N -2.22 2.58 -3.61 3.52 5.02 -1.13 -4.18 118.16 118.15 1ure n LYS 46 Ca 0.00 0.93 -0.40 0.00 -2.02 0.00 0.00 58.31 56.83 1ure n LYS 46 Cb 0.27 -2.76 -0.09 0.00 -0.02 0.00 0.00 35.03 32.43 1ure n LYS 46 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ure s PHE 47 N 1.34 3.47 -1.05 2.13 0.40 -1.23 -2.38 117.98 120.66 1ure s PHE 47 Ca 0.77 -2.05 -0.23 0.00 -0.60 0.00 0.00 56.93 54.82 1ure s PHE 47 Cb -0.56 -3.43 -0.05 0.00 0.51 0.00 0.00 43.02 39.49 1ure s PHE 47 CO 0.35 -0.98 1.91 0.95 0.70 0.00 0.00 175.22 178.14 1ure s THR 48 N 1.22 3.54 -0.95 0.64 -4.23 -0.96 -3.12 115.64 111.79 1ure s THR 48 Ca 0.07 -0.69 -0.25 0.00 -1.18 0.00 0.00 61.69 59.64 1ure s THR 48 Cb -0.25 -4.35 -0.09 0.00 1.34 0.00 0.00 72.50 69.15 1ure s THR 48 CO -0.02 -1.07 2.05 0.54 -0.54 0.00 0.00 174.62 175.58 1ure s VAL 49 N 9.95 3.35 -0.14 2.29 0.11 -1.26 -3.60 120.40 131.10 1ure s VAL 49 Ca 0.67 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 1ure s VAL 49 Cb -0.03 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 30.86 1ure s VAL 49 CO 0.05 -0.71 1.36 -0.75 -3.33 0.00 0.00 175.10 171.72 1ure s LYS 50 N 7.38 4.21 -0.88 1.54 2.20 -0.98 0.20 119.74 133.41 1ure s LYS 50 Ca 0.75 1.78 0.01 0.00 -0.36 0.00 0.00 55.97 58.15 1ure s LYS 50 Cb -0.07 -3.82 0.30 0.00 -1.51 0.00 0.00 37.83 32.74 1ure s LYS 50 CO 0.05 -0.75 1.30 -1.91 -0.36 0.00 0.00 175.35 173.69 1ure n GLU 51 N 6.75 4.05 -1.26 4.03 2.13 -1.14 -0.55 120.64 134.64 1ure n GLU 51 Ca 0.15 -4.67 -0.40 0.00 0.66 0.00 0.00 57.16 52.90 1ure n GLU 51 Cb 0.44 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 29.69 1ure n GLU 51 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ure n SER 52 N 0.61 2.39 -4.23 4.31 7.64 -0.60 -4.25 113.62 119.49 1ure n SER 52 Ca 0.33 -2.65 -0.16 0.00 1.01 0.00 0.00 58.87 57.39 1ure n SER 52 Cb 0.34 -1.18 0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1ure n SER 52 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ure n SER 53 N 9.49 1.83 0.23 6.43 3.41 0.16 -1.97 113.62 133.19 1ure n SER 53 Ca 0.48 -2.26 0.06 0.00 -0.26 0.00 0.00 58.87 56.89 1ure n SER 53 Cb 0.42 -0.24 0.55 0.00 -0.26 0.00 0.00 64.21 64.68 1ure n SER 53 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ure h ASN 54 N 0.20 0.01 0.12 4.04 -0.73 -1.85 -3.12 115.58 114.24 1ure h ASN 54 Ca -0.22 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1ure h ASN 54 Cb 0.96 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.55 1ure h ASN 54 CO 0.33 0.12 -0.06 -0.26 -0.37 0.00 0.00 177.43 177.20 1ure h PHE 55 N 0.02 -0.15 -3.78 0.67 0.04 -1.91 -3.48 116.94 108.35 1ure h PHE 55 Ca 0.00 -0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1ure h PHE 55 Cb 0.20 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.33 1ure h PHE 55 CO 0.00 -0.09 -0.26 0.54 -0.60 0.00 0.00 178.31 177.90 1ure n ARG 56 N -2.61 0.42 -2.88 1.51 5.12 -1.18 -5.03 116.66 112.02 1ure n ARG 56 Ca -0.02 -1.91 -0.18 0.00 -1.93 0.00 0.00 57.85 53.81 1ure n ARG 56 Cb 0.06 1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 32.71 1ure n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ure n ASN 57 N -2.07 2.14 -4.41 0.55 2.85 -1.26 0.37 115.26 113.44 1ure n ASN 57 Ca 0.01 -3.12 -0.44 0.00 -0.11 0.00 0.00 54.58 50.93 1ure n ASN 57 Cb 0.34 -0.56 -0.08 0.00 1.24 0.00 0.00 39.78 40.73 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1ure s ILE 58 N -3.41 5.20 0.30 -1.44 2.07 -1.26 -4.95 121.20 117.71 1ure s ILE 58 Ca 0.38 -0.92 -0.30 0.00 -1.41 0.00 0.00 60.65 58.41 1ure s ILE 58 Cb 0.38 -4.11 -0.11 0.00 0.13 0.00 0.00 42.46 38.75 1ure s ILE 58 CO -0.06 -0.56 1.49 -1.81 -1.91 0.00 0.00 174.94 172.09 1ure s ASP 59 N 2.45 6.50 -0.37 4.50 1.01 -1.26 -2.90 116.67 126.60 1ure s ASP 59 Ca 0.06 2.84 0.05 0.00 0.71 0.00 0.00 52.55 56.21 1ure s ASP 59 Cb -0.23 -2.64 0.45 0.00 1.01 0.00 0.00 42.92 41.52 1ure s ASP 59 CO 0.08 -0.80 1.31 0.52 0.21 0.00 0.00 175.17 176.49 1ure n VAL 60 N 1.80 2.67 -1.09 -1.27 0.31 0.13 -4.92 118.33 115.96 1ure n VAL 60 Ca 0.06 -4.16 -0.36 0.00 -0.01 0.00 0.00 64.34 59.87 1ure n VAL 60 Cb 0.39 -1.16 -0.01 0.00 -0.91 0.00 0.00 33.84 32.15 1ure n VAL 60 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ure n VAL 61 N -0.70 0.84 -3.23 2.52 0.31 -1.26 -4.35 118.33 112.46 1ure n VAL 61 Ca 0.46 -0.41 -0.03 0.00 -0.01 0.00 0.00 64.34 64.35 1ure n VAL 61 Cb 0.87 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.77 1ure n VAL 61 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ure s PHE 62 N -1.23 -1.42 -0.79 3.52 -0.12 -1.18 -4.90 117.98 111.86 1ure s PHE 62 Ca 0.50 0.75 -0.25 0.00 -0.05 0.00 0.00 56.93 57.88 1ure s PHE 62 Cb -0.59 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 1ure s PHE 62 CO 0.50 -1.02 1.98 -2.00 -0.05 0.00 0.00 175.22 174.64 1ure s GLU 63 N 2.69 2.47 0.00 1.99 -6.30 -1.26 -3.53 118.70 114.75 1ure s GLU 63 Ca 0.10 0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.68 1ure s GLU 63 Cb -0.12 -4.83 0.00 0.00 0.00 0.00 0.00 34.13 29.19 1ure s GLU 63 CO -0.27 -3.28 0.00 1.47 0.02 0.00 0.00 175.26 173.19 1ure n LEU 64 N 14.12 0.00 -0.33 2.70 -0.00 -1.26 -0.53 117.00 131.70 1ure n LEU 64 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 1ure n LEU 64 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1ure n LEU 64 CO 0.63 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.63 1ure n GLY 65 N 0.00 0.77 0.08 1.47 0.00 -1.26 -5.02 105.19 101.23 1ure n GLY 65 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.88 0.00 -0.88 1.61 3.14 0.31 -5.09 118.33 116.54 1ure n VAL 66 Ca 0.00 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1ure n VAL 66 Cb 0.23 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 1ure n VAL 66 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1ure n ASP 67 N -1.08 -5.03 -3.53 6.55 9.92 -1.26 -4.99 116.55 117.13 1ure n ASP 67 Ca 0.04 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 1ure n ASP 67 Cb 0.27 -2.29 -0.04 0.00 -0.64 0.00 0.00 41.12 38.42 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ure s PHE 68 N -3.56 -1.11 -0.64 1.24 -0.71 -1.10 -4.98 117.98 107.13 1ure s PHE 68 Ca 0.00 1.86 -0.27 0.00 -1.04 0.00 0.00 56.93 57.47 1ure s PHE 68 Cb 0.00 0.64 0.02 0.00 -1.21 0.00 0.00 43.02 42.47 1ure s PHE 68 CO 0.00 -0.55 1.39 0.00 -1.34 0.00 0.00 175.22 174.71 1ure s ALA 69 N 2.74 2.74 -0.77 1.99 0.00 -1.26 -3.54 121.76 123.65 1ure s ALA 69 Ca -0.03 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.90 1ure s ALA 69 Cb -0.10 -4.18 0.20 0.00 0.00 0.00 0.00 23.12 19.04 1ure s ALA 69 CO -0.18 -3.15 0.65 -0.47 0.00 0.00 0.00 175.76 172.61 1ure s TYR 70 N 6.15 3.66 0.12 0.00 5.04 0.96 -4.89 117.35 128.39 1ure s TYR 70 Ca 0.46 -2.54 -0.34 0.00 -2.44 0.00 0.00 57.07 52.21 1ure s TYR 70 Cb -0.09 -3.45 -0.13 0.00 0.35 0.00 0.00 41.96 38.63 1ure s TYR 70 CO 0.21 -0.88 1.63 -1.13 -1.34 0.00 0.00 175.55 174.04 1ure n SER 71 N 3.38 3.19 -3.38 4.32 3.41 -1.26 -3.79 113.62 119.48 1ure n SER 71 Ca 0.13 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1ure n SER 71 Cb 0.41 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1ure n SER 71 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ure n LEU 72 N 3.99 0.00 -0.00 1.04 4.77 -1.26 -4.77 117.00 120.76 1ure n LEU 72 Ca 0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1ure n LEU 72 Cb 0.29 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1ure n LEU 72 CO 0.65 -0.24 -0.40 0.00 -1.33 0.00 0.00 177.39 176.07 1ure h ALA 73 N -2.00 0.68 0.00 -1.18 0.00 -1.94 -3.38 119.26 111.44 1ure h ALA 73 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ure h ALA 73 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ure h ALA 73 CO 0.00 1.51 -0.36 -0.25 0.00 0.00 0.00 179.25 180.15 1ure n ASP 74 N -3.12 0.43 0.08 0.00 9.92 -1.26 -4.84 116.55 117.75 1ure n ASP 74 Ca -0.14 0.12 0.04 0.00 -0.53 0.00 0.00 54.79 54.28 1ure n ASP 74 Cb 1.03 -0.08 0.46 0.00 -0.64 0.00 0.00 41.12 41.88 1ure n ASP 74 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1ure h GLY 75 N 0.00 0.40 -1.68 0.44 0.00 -1.95 -3.49 103.07 96.79 1ure h GLY 75 Ca 0.00 -0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.35 1ure h GLY 75 CO 0.00 0.16 -0.46 -1.30 0.00 0.00 0.00 176.54 174.95 1ure n THR 76 N -4.44 -0.01 0.00 4.70 -2.24 -1.26 -4.78 114.28 106.26 1ure n THR 76 Ca 0.01 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1ure n THR 76 Cb 0.11 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ure n GLU 77 N -3.40 0.00 -3.54 -0.78 1.02 -1.26 -4.06 120.64 108.61 1ure n GLU 77 Ca -0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 1ure n GLU 77 Cb 0.34 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.61 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 0.00 0.49 -0.12 -4.62 0.20 -1.25 -3.68 118.68 109.70 1ure s LEU 78 Ca 0.00 -1.19 -0.03 0.00 0.69 0.00 0.00 54.13 53.61 1ure s LEU 78 Cb 0.00 -0.30 -0.03 0.00 -0.43 0.00 0.00 46.19 45.43 1ure s LEU 78 CO 0.00 -0.43 -0.02 -0.89 -0.29 0.00 0.00 176.35 174.72 1ure s THR 79 N 2.12 4.09 -0.69 3.68 2.01 0.30 -0.03 115.64 127.12 1ure s THR 79 Ca 0.08 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1ure s THR 79 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1ure s THR 79 CO -0.34 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1ure n GLY 80 N 2.83 -0.82 3.73 4.40 0.00 -1.23 0.80 105.19 114.90 1ure n GLY 80 Ca -0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.00 0.00 0.00 2.61 -4.23 0.72 -2.70 115.64 108.04 1ure s THR 81 Ca 0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1ure s THR 81 Cb 0.00 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.96 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 -0.45 -3.51 0.00 3.99 4.27 -1.26 0.44 117.44 120.93 1ure n TRP 82 Ca -0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.55 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 -2.11 0.00 -3.23 -1.67 5.66 -0.30 -4.53 114.28 108.10 1ure n THR 83 Ca 0.00 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.55 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 0.00 3.03 -1.56 1.09 0.00 -1.26 0.16 119.30 120.76 1ure s MET 84 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 55.69 54.25 1ure s MET 84 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 34.83 30.56 1ure s MET 84 CO 0.00 -1.32 2.75 -0.85 0.00 0.00 0.00 175.02 175.60 1ure n GLU 85 N 5.81 3.42 0.00 4.11 0.28 -0.84 -4.67 120.64 128.75 1ure n GLU 85 Ca -0.11 -2.28 0.00 0.00 -0.16 0.00 0.00 57.16 54.62 1ure n GLU 85 Cb 0.43 -2.92 0.00 0.00 1.43 0.00 0.00 31.44 30.38 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ure n GLY 86 N 3.73 1.52 0.00 -1.84 0.00 -1.26 -3.54 105.19 103.80 1ure n GLY 86 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1ure n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ure n ASN 87 N 3.39 1.61 -4.20 1.61 6.94 -1.26 -5.01 115.26 118.34 1ure n ASN 87 Ca 0.00 -0.09 -0.35 0.00 -0.02 0.00 0.00 54.58 54.11 1ure n ASN 87 Cb 0.00 0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 37.80 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ure s LYS 88 N -0.83 2.57 0.67 -3.83 1.02 -1.23 -5.02 119.74 113.09 1ure s LYS 88 Ca 0.00 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 54.66 1ure s LYS 88 Cb 0.00 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1ure s LYS 88 CO 0.00 -0.57 1.16 -1.17 -0.92 0.00 0.00 175.35 173.85 1ure s LEU 89 N 1.30 3.41 0.35 3.17 0.20 -0.94 -1.99 118.68 124.18 1ure s LEU 89 Ca -0.03 2.20 0.03 0.00 0.69 0.00 0.00 54.13 57.02 1ure s LEU 89 Cb -0.19 -4.57 -0.01 0.00 -0.43 0.00 0.00 46.19 40.99 1ure s LEU 89 CO -0.01 -1.87 0.40 0.68 -0.29 0.00 0.00 176.35 175.26 1ure s VAL 90 N -2.08 0.00 -0.30 1.68 -7.23 0.41 0.70 120.40 113.59 1ure s VAL 90 Ca 0.71 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1ure s VAL 90 Cb -0.25 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.19 1ure s VAL 90 CO 0.41 0.00 0.15 -0.83 -0.31 0.00 0.00 175.10 174.52 1ure s GLY 91 N -3.33 0.47 -0.11 2.32 0.00 0.25 -1.15 107.32 105.78 1ure s GLY 91 Ca 0.36 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.89 1ure s GLY 91 CO 0.25 2.12 0.21 0.54 0.00 0.00 0.00 173.10 176.22 1ure s LYS 92 N 2.03 3.69 -0.16 2.90 1.02 0.17 -1.14 119.74 128.25 1ure s LYS 92 Ca 0.10 -0.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.01 1ure s LYS 92 Cb -0.16 -3.24 0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1ure s LYS 92 CO -0.34 0.67 0.36 -0.06 -0.92 0.00 0.00 175.35 175.06 1ure s PHE 93 N -0.77 -0.55 0.08 3.18 0.08 0.27 -0.20 117.98 120.08 1ure s PHE 93 Ca 0.16 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.42 1ure s PHE 93 Cb -0.13 0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 1ure s PHE 93 CO 0.05 -0.34 0.08 0.15 -0.10 0.00 0.00 175.22 175.06 1ure s LYS 94 N 1.62 2.86 0.01 0.44 1.02 0.24 0.11 119.74 126.04 1ure s LYS 94 Ca -0.07 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.12 1ure s LYS 94 Cb -0.10 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1ure s LYS 94 CO -0.11 0.56 0.32 0.50 -0.92 0.00 0.00 175.35 175.69 1ure s ARG 95 N -2.40 3.68 0.09 1.68 6.06 -1.20 0.11 118.95 126.98 1ure s ARG 95 Ca 0.29 0.09 0.10 0.00 -2.50 0.00 0.00 55.73 53.71 1ure s ARG 95 Cb -0.12 -3.10 -0.18 0.00 0.06 0.00 0.00 34.95 31.61 1ure s ARG 95 CO 0.22 0.65 1.10 -0.39 -2.50 0.00 0.00 175.30 174.38 1ure h VAL 96 N 3.26 1.28 -0.37 7.11 -1.51 -1.93 0.53 116.25 124.63 1ure h VAL 96 Ca -0.51 -2.97 0.00 0.00 -1.23 0.00 0.00 66.70 61.99 1ure h VAL 96 Cb 1.21 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.98 1ure h VAL 96 CO 0.64 0.73 0.00 -0.90 -1.23 0.00 0.00 177.57 176.81 1ure n ASP 97 N -3.22 2.26 0.00 4.19 5.75 -1.26 -4.27 116.55 120.00 1ure n ASP 97 Ca -0.05 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1ure n ASP 97 Cb 0.94 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1ure n ASP 97 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ure n ASN 98 N 0.57 0.20 0.00 -1.12 5.15 -1.23 -5.04 115.26 113.79 1ure n ASN 98 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1ure n ASN 98 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 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 1.63 2.08 0.00 8.20 0.00 0.19 -4.99 105.19 112.30 1ure n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -0.37 -4.12 1.61 5.02 -1.26 -4.75 118.16 112.29 1ure n LYS 100 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1ure n LYS 100 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 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 -2.14 0.69 -0.02 1.97 2.12 -1.26 -3.21 118.70 116.86 1ure s GLU 101 Ca 0.00 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.34 1ure s GLU 101 Cb 0.00 -0.33 -0.00 0.00 0.26 0.00 0.00 34.13 34.06 1ure s GLU 101 CO 0.00 0.04 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.50 1ure s LEU 102 N -2.20 1.86 0.14 2.70 0.20 0.30 -3.89 118.68 117.79 1ure s LEU 102 Ca -0.00 -0.17 0.04 0.00 0.69 0.00 0.00 54.13 54.69 1ure s LEU 102 Cb -0.04 -0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 1ure s LEU 102 CO -0.01 0.08 -0.09 -0.51 -0.29 0.00 0.00 176.35 175.52 1ure s ILE 103 N 0.06 1.12 -0.18 6.68 2.07 0.53 0.96 121.20 132.44 1ure s ILE 103 Ca -0.01 -2.05 -0.13 0.00 -1.41 0.00 0.00 60.65 57.05 1ure s ILE 103 Cb -0.07 -1.85 0.05 0.00 0.13 0.00 0.00 42.46 40.73 1ure s ILE 103 CO 0.00 -0.75 0.45 0.00 -1.91 0.00 0.00 174.94 172.74 1ure s ALA 104 N -3.36 -1.14 -0.22 1.50 0.00 -0.30 0.59 121.76 118.83 1ure s ALA 104 Ca 0.17 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1ure s ALA 104 Cb 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1ure s ALA 104 CO 0.00 -0.25 -0.15 0.54 0.00 0.00 0.00 175.76 175.90 1ure s VAL 105 N 0.82 2.12 -0.87 0.00 0.11 0.43 0.85 120.40 123.86 1ure s VAL 105 Ca -0.05 -1.31 -0.23 0.00 -2.93 0.00 0.00 61.98 57.46 1ure s VAL 105 Cb -0.05 -2.08 0.06 0.00 -1.53 0.00 0.00 36.38 32.77 1ure s VAL 105 CO -0.06 0.24 1.27 -0.13 -3.33 0.00 0.00 175.10 173.09 1ure s ARG 106 N 1.19 3.40 0.15 1.54 0.52 0.22 -2.60 118.95 123.37 1ure s ARG 106 Ca -0.02 -0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.18 1ure s ARG 106 Cb -0.17 -4.77 -0.01 0.00 0.52 0.00 0.00 34.95 30.52 1ure s ARG 106 CO -0.09 -2.06 1.42 1.49 0.02 0.00 0.00 175.30 176.08 1ure h GLU 107 N 9.67 0.69 -5.31 3.54 4.81 -1.46 -2.51 114.58 124.02 1ure h GLU 107 Ca -0.02 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1ure h GLU 107 Cb 1.03 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ure h GLU 107 CO 1.30 1.10 -0.30 -0.89 -0.73 0.00 0.00 179.01 179.49 1ure n ILE 108 N -3.95-10.73 0.00 2.32 2.08 -1.26 -4.85 119.36 102.97 1ure n ILE 108 Ca -0.05 0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.70 1ure n ILE 108 Cb 0.66 -7.16 0.00 0.00 -0.75 0.00 0.00 39.64 32.39 1ure n ILE 108 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1ure n SER 109 N -0.89 0.00 -3.61 4.38 2.88 0.76 -4.89 113.62 112.25 1ure n SER 109 Ca 0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.32 1ure n SER 109 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.81 1ure n SER 109 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ure s GLY 110 N 0.00 1.36 0.00 0.46 0.00 -1.26 -4.80 107.32 103.08 1ure s GLY 110 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 42.39 1ure s GLY 110 CO 0.00 1.77 0.00 0.70 0.00 0.00 0.00 173.10 175.57 1ure n ASN 111 N 3.68 0.00 -4.48 1.64 3.02 -1.26 -5.00 115.26 112.86 1ure n ASN 111 Ca 0.11 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 1ure n ASN 111 Cb 0.36 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.40 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ure s GLU 112 N -0.24 2.79 0.02 3.52 2.02 -1.26 -4.34 118.70 121.20 1ure s GLU 112 Ca 0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.33 1ure s GLU 112 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1ure s GLU 112 CO 0.00 0.53 0.12 -1.17 0.02 0.00 0.00 175.26 174.76 1ure s LEU 113 N -0.48 4.05 -0.16 1.80 0.20 -1.26 -0.17 118.68 122.66 1ure s LEU 113 Ca 0.06 0.18 -0.07 0.00 0.69 0.00 0.00 54.13 54.99 1ure s LEU 113 Cb -0.12 -2.48 0.07 0.00 -0.43 0.00 0.00 46.19 43.23 1ure s LEU 113 CO 0.02 0.24 0.37 -0.63 -0.29 0.00 0.00 176.35 176.06 1ure s ILE 114 N -1.30 -0.27 -0.12 6.68 1.01 -1.26 -1.11 121.20 124.83 1ure s ILE 114 Ca 0.27 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 1ure s ILE 114 Cb -0.12 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ure s ILE 114 CO 0.18 0.06 0.12 -1.10 0.00 0.00 0.00 174.94 174.20 1ure s GLN 115 N 1.90 3.39 -0.14 2.79 -0.21 -0.95 -1.54 119.66 124.90 1ure s GLN 115 Ca -0.06 -0.18 -0.23 0.00 0.02 0.00 0.00 55.36 54.91 1ure s GLN 115 Cb -0.10 -3.13 0.06 0.00 1.00 0.00 0.00 33.01 30.83 1ure s GLN 115 CO -0.12 0.75 0.58 -0.08 -2.12 0.00 0.00 175.29 174.31 1ure s THR 116 N -0.96 0.01 0.00 -0.19 -1.32 -1.07 0.14 115.64 112.25 1ure s THR 116 Ca 0.14 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1ure s THR 116 Cb -0.12 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1ure s THR 116 CO 0.04 -0.04 0.00 -1.22 -2.21 0.00 0.00 174.62 171.19 1ure n TYR 117 N 1.96 0.00 -1.83 9.09 4.01 -1.24 0.16 117.16 129.31 1ure n TYR 117 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1ure n TYR 117 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1ure n TYR 117 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1ure n THR 118 N 0.00 0.00 -0.02 -0.72 5.66 0.20 0.77 114.28 120.18 1ure n THR 118 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ure n THR 118 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 1.09 9.36 -1.26 0.20 117.16 126.55 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 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -0.47 0.00 -0.37 2.98 -0.58 -1.25 -4.13 120.64 116.81 1ure n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ure n GLU 120 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -1.45 0.43 2.93 0.62 0.00 -1.26 -5.03 105.19 101.42 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 2.19 1.40 1.61 1.01 -1.26 -5.12 120.40 120.24 1ure s VAL 122 Ca 0.00 -2.73 -0.22 0.00 0.00 0.00 0.00 61.98 59.03 1ure s VAL 122 Cb 0.00 -2.56 0.36 0.00 0.00 0.00 0.00 36.38 34.17 1ure s VAL 122 CO 0.00 -0.73 0.85 -0.62 0.00 0.00 0.00 175.10 174.60 1ure n GLU 123 N 3.70 -4.32 -2.91 2.72 4.71 -1.25 -4.26 120.64 119.03 1ure n GLU 123 Ca 0.05 -1.28 0.02 0.00 -0.01 0.00 0.00 57.16 55.94 1ure n GLU 123 Cb 0.37 -1.93 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 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 -2.16 -3.99 0.88 0.62 0.00 0.23 -4.21 121.76 113.13 1ure s ALA 124 Ca 0.66 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1ure s ALA 124 Cb -0.14 -2.93 0.12 0.00 0.00 0.00 0.00 23.12 20.17 1ure s ALA 124 CO 0.57 -2.37 1.09 0.15 0.00 0.00 0.00 175.76 175.20 1ure s LYS 125 N 2.12 1.37 -0.43 0.00 3.01 -1.26 -3.70 119.74 120.86 1ure s LYS 125 Ca 0.17 0.87 0.07 0.00 -1.01 0.00 0.00 55.97 56.07 1ure s LYS 125 Cb 0.01 -1.82 0.23 0.00 -1.01 0.00 0.00 37.83 35.24 1ure s LYS 125 CO -0.15 -2.18 0.58 0.54 0.51 0.00 0.00 175.35 174.65 1ure n ARG 126 N -3.85 0.61 -1.96 1.68 1.74 0.37 -2.49 116.66 112.77 1ure n ARG 126 Ca 0.07 -2.80 -0.42 0.00 -0.77 0.00 0.00 57.85 53.93 1ure n ARG 126 Cb 0.55 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 1ure n ARG 126 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ure s ILE 127 N -0.38 3.50 0.38 0.55 -1.09 -1.24 -2.24 121.20 120.68 1ure s ILE 127 Ca 0.34 0.58 0.07 0.00 -2.23 0.00 0.00 60.65 59.41 1ure s ILE 127 Cb 0.14 -3.43 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1ure s ILE 127 CO -0.15 -0.11 0.41 -0.36 -1.23 0.00 0.00 174.94 173.50 1ure s PHE 128 N 4.75 2.86 0.00 3.97 0.40 -0.27 0.29 117.98 129.99 1ure s PHE 128 Ca 0.77 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1ure s PHE 128 Cb -0.32 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1ure s PHE 128 CO 0.31 -0.08 0.52 1.63 0.70 0.00 0.00 175.22 178.30 1ure n LYS 129 N -1.58 -0.33 -2.13 0.44 4.76 -1.10 -4.24 118.16 113.97 1ure n LYS 129 Ca 0.02 -0.59 -0.02 0.00 -2.87 0.00 0.00 58.31 54.85 1ure n LYS 129 Cb 0.60 -0.94 -0.02 0.00 -1.84 0.00 0.00 35.03 32.82 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 -0.07 -2.44 -0.01 1.97 3.00 -1.26 -4.80 118.16 114.54 1ure n LYS 130 Ca 0.00 2.08 0.00 0.00 -0.00 0.00 0.00 58.31 60.39 1ure n LYS 130 Cb 0.07 -3.36 0.00 0.00 0.00 0.00 0.00 35.03 31.74 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49