#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 0.00 -1.55 0.00 3.72 -1.26 -4.98 117.46 113.39 1ure n PHE 2 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1ure n PHE 2 Cb 0.00 0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.41 2.25 0.00 4.37 5.75 -1.26 -4.60 116.55 120.65 1ure n ASP 3 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 1ure n ASP 3 Cb 0.39 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 38.95 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 6.04 -0.55 3.78 6.12 0.00 0.36 -4.93 105.19 116.01 1ure n GLY 4 Ca 0.39 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.47 4.53 0.02 2.61 -4.23 -1.26 0.14 115.64 113.97 1ure s THR 5 Ca 0.00 -0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 1ure s THR 5 Cb 0.00 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.66 1ure s THR 5 CO 0.00 0.08 0.33 0.26 -0.54 0.00 0.00 174.62 174.76 1ure s TRP 6 N -1.45 -0.17 -0.28 3.99 0.52 0.60 -0.30 118.94 121.84 1ure s TRP 6 Ca 0.30 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.59 1ure s TRP 6 Cb -0.12 0.12 0.16 0.00 -1.15 0.00 0.00 33.47 32.48 1ure s TRP 6 CO 0.22 -0.47 0.43 0.21 0.02 0.00 0.00 176.95 177.36 1ure s LYS 7 N -1.99 0.42 -0.10 4.98 2.20 -1.26 0.13 119.74 124.12 1ure s LYS 7 Ca -0.09 0.32 -0.38 0.00 -0.36 0.00 0.00 55.97 55.46 1ure s LYS 7 Cb -0.03 -0.24 -0.16 0.00 -1.51 0.00 0.00 37.83 35.89 1ure s LYS 7 CO 0.00 -0.92 1.59 1.55 -0.36 0.00 0.00 175.35 177.22 1ure n VAL 8 N 5.37 0.20 -0.19 4.02 3.14 -0.92 -3.60 118.33 126.34 1ure n VAL 8 Ca -0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1ure n VAL 8 Cb 0.50 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 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 4.29 0.91 -3.64 6.55 2.03 -0.37 -4.74 116.55 121.58 1ure n ASP 9 Ca 0.23 -1.10 -0.04 0.00 0.52 0.00 0.00 54.79 54.39 1ure n ASP 9 Cb 0.17 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 1ure n ASP 9 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1ure s ARG 10 N -0.10 0.40 0.10 -0.67 3.52 -0.77 -5.03 118.95 116.41 1ure s ARG 10 Ca 0.00 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 1ure s ARG 10 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1ure s ARG 10 CO 0.00 -0.07 0.03 0.09 -0.81 0.00 0.00 175.30 174.54 1ure n ASN 11 N 3.16 1.92 -3.07 -2.12 4.13 -1.26 0.11 115.26 118.12 1ure n ASN 11 Ca -0.16 -1.41 0.03 0.00 1.68 0.00 0.00 54.58 54.71 1ure n ASN 11 Cb 0.57 0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.85 1ure n ASN 11 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ure s GLU 12 N -2.39 0.43 0.00 3.52 -6.30 -0.83 -4.82 118.70 108.31 1ure s GLU 12 Ca 0.02 0.08 0.00 0.00 -2.50 0.00 0.00 54.97 52.57 1ure s GLU 12 Cb -0.00 0.11 0.00 0.00 0.00 0.00 0.00 34.13 34.24 1ure s GLU 12 CO 0.01 -0.70 0.00 -1.71 0.02 0.00 0.00 175.26 172.88 1ure n ASN 13 N 4.65 0.00 0.17 -1.70 4.05 -1.26 0.29 115.26 121.45 1ure n ASN 13 Ca 0.08 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.24 1ure n ASN 13 Cb 0.58 0.00 0.52 0.00 1.23 0.00 0.00 39.78 42.11 1ure n ASN 13 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1ure h TYR 14 N 0.00 0.00 0.05 1.20 5.03 -1.77 -2.84 116.97 118.64 1ure h TYR 14 Ca 0.00 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.05 1ure h TYR 14 Cb 0.00 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.29 1ure h TYR 14 CO 0.00 0.00 -1.09 0.93 -1.32 0.00 0.00 178.16 176.68 1ure h GLU 15 N 0.00 0.51 -0.04 1.82 3.07 -1.92 -3.26 114.58 114.76 1ure h GLU 15 Ca 0.00 -0.62 -0.19 0.00 -0.50 0.00 0.00 59.36 58.05 1ure h GLU 15 Cb 0.49 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1ure h GLU 15 CO 0.00 1.24 -0.80 0.87 -1.40 0.00 0.00 179.01 178.93 1ure h LYS 16 N 0.26 0.35 0.00 2.33 6.56 -1.90 -3.21 116.57 120.96 1ure h LYS 16 Ca -0.13 -0.32 -0.03 0.00 -1.06 0.00 0.00 60.65 59.11 1ure h LYS 16 Cb 1.75 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 33.48 1ure h LYS 16 CO 0.20 0.98 -0.14 0.35 -2.06 0.00 0.00 179.45 178.78 1ure h PHE 17 N 0.22 0.00 0.00 -1.35 3.57 -1.56 -1.40 116.94 116.43 1ure h PHE 17 Ca -0.04 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 1ure h PHE 17 Cb 1.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1ure h PHE 17 CO 0.04 0.14 -0.61 0.52 -2.23 0.00 0.00 178.31 176.17 1ure h MET 18 N 0.00 0.00 -0.10 1.11 2.86 -1.60 -2.22 114.93 114.99 1ure h MET 18 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1ure h MET 18 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1ure h MET 18 CO 0.02 0.61 -0.48 1.49 1.06 0.00 0.00 176.91 179.61 1ure h GLU 19 N 0.00 0.24 0.07 1.72 4.81 -1.33 0.21 114.58 120.31 1ure h GLU 19 Ca -0.01 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 58.90 1ure h GLU 19 Cb 1.19 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1ure h GLU 19 CO 0.08 0.68 -0.77 -0.22 -0.73 0.00 0.00 179.01 178.05 1ure h LYS 20 N 0.20 0.39 0.00 1.92 3.64 -1.40 -3.27 116.57 118.04 1ure h LYS 20 Ca 0.01 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1ure h LYS 20 Cb 0.93 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ure h LYS 20 CO 0.08 1.19 -0.08 0.52 -2.27 0.00 0.00 179.45 178.89 1ure h MET 21 N -0.18 0.00 0.00 1.90 2.86 -1.42 -3.46 114.93 114.63 1ure h MET 21 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ure h MET 21 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1ure h MET 21 CO 0.15 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1ure n GLY 22 N -1.08 0.76 3.31 8.32 0.00 -1.02 -5.00 105.19 110.48 1ure n GLY 22 Ca -0.03 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.47 2.34 0.58 -0.61 -1.09 0.72 -4.88 121.20 116.80 1ure s ILE 23 Ca 0.00 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 1ure s ILE 23 Cb 0.00 -1.88 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1ure s ILE 23 CO 0.00 0.57 1.01 0.20 -1.23 0.00 0.00 174.94 175.49 1ure s ASN 24 N -0.14 6.32 0.27 3.58 0.01 -1.26 -4.48 114.94 119.23 1ure s ASN 24 Ca -0.03 1.52 0.16 0.00 -0.71 0.00 0.00 52.86 53.80 1ure s ASN 24 Cb -0.14 -2.49 0.95 0.00 0.41 0.00 0.00 41.25 39.98 1ure s ASN 24 CO 0.04 -0.80 1.08 1.33 -1.51 0.00 0.00 177.10 177.24 1ure n VAL 25 N -2.24 -0.26 -0.06 1.60 0.24 -1.26 -0.53 118.33 115.83 1ure n VAL 25 Ca 0.06 1.36 -0.13 0.00 -2.04 0.00 0.00 64.34 63.59 1ure n VAL 25 Cb 0.54 -2.22 -0.12 0.00 -1.47 0.00 0.00 33.84 30.57 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 1.64 0.00 3.34 -1.51 -2.00 -3.30 116.25 114.43 1ure h VAL 26 Ca 0.59 -2.08 -0.02 0.00 -1.23 0.00 0.00 66.70 63.97 1ure h VAL 26 Cb 1.64 3.03 -0.00 0.00 -2.13 0.00 0.00 31.29 33.83 1ure h VAL 26 CO -0.48 0.53 -0.08 0.11 -1.23 0.00 0.00 177.57 176.42 1ure h LYS 27 N -0.92 0.00 0.00 5.19 1.57 -1.16 -1.28 116.57 119.98 1ure h LYS 27 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1ure h LYS 27 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1ure h LYS 27 CO 0.00 0.08 -0.60 0.07 -0.57 0.00 0.00 179.45 178.42 1ure h ARG 28 N 0.00 0.00 -0.05 3.15 0.11 -1.29 -2.24 114.38 114.05 1ure h ARG 28 Ca -0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 1ure h ARG 28 Cb 0.27 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.36 1ure h ARG 28 CO 0.01 0.60 -0.91 -0.22 0.10 0.00 0.00 179.97 179.55 1ure h LYS 29 N 0.00 0.63 0.00 0.08 3.64 -1.34 -2.12 116.57 117.46 1ure h LYS 29 Ca -0.01 -0.61 -0.09 0.00 -1.27 0.00 0.00 60.65 58.67 1ure h LYS 29 Cb 1.44 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1ure h LYS 29 CO 0.08 1.22 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.96 1ure h LEU 30 N 0.39 0.00 -0.07 5.20 4.07 -1.34 -2.85 115.31 120.71 1ure h LEU 30 Ca -0.09 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.72 1ure h LEU 30 Cb 1.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.26 1ure h LEU 30 CO 0.17 0.45 -0.72 1.23 -1.08 0.00 0.00 178.44 178.49 1ure h GLY 31 N 3.17 0.00 1.03 0.83 0.00 -1.40 -2.17 103.07 104.52 1ure h GLY 31 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 1ure h GLY 31 CO 0.06 0.00 -0.81 0.00 0.00 0.00 0.00 176.54 175.79 1ure h ALA 32 N 1.28 0.14 -0.64 3.60 0.00 -1.32 -3.30 119.26 119.01 1ure h ALA 32 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ure h ALA 32 Cb 1.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ure h ALA 32 CO 0.09 0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.61 1ure n HIS 33 N -4.03 1.40 -0.32 0.00 8.25 -1.08 -4.72 115.22 114.73 1ure n HIS 33 Ca -0.10 -0.61 0.33 0.00 -0.26 0.00 0.00 57.72 57.09 1ure n HIS 33 Cb 0.77 -0.22 0.52 0.00 1.12 0.00 0.00 29.99 32.19 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1ure h ASP 34 N 4.01 0.00 -0.07 0.41 3.04 -1.48 -3.44 116.42 118.89 1ure h ASP 34 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1ure h ASP 34 Cb 1.40 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.67 1ure h ASP 34 CO 0.20 0.00 -0.03 -0.46 -2.04 0.00 0.00 179.24 176.92 1ure n ASN 35 N -3.40 -4.02 -2.30 4.15 0.23 -1.26 -3.04 115.26 105.61 1ure n ASN 35 Ca 0.28 0.04 -0.14 0.00 -0.53 0.00 0.00 54.58 54.22 1ure n ASN 35 Cb 1.62 -1.66 -0.11 0.00 -2.08 0.00 0.00 39.78 37.56 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1ure n LEU 36 N -0.18 -0.50 -4.56 -4.53 7.94 -1.25 -4.67 117.00 109.25 1ure n LEU 36 Ca -0.02 -0.18 -0.41 0.00 -1.11 0.00 0.00 56.01 54.30 1ure n LEU 36 Cb 0.19 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.73 1ure n LEU 36 CO 0.02 -0.63 0.19 -0.75 -1.11 0.00 0.00 177.39 175.12 1ure s LYS 37 N 3.87 3.67 -0.30 1.96 2.20 -0.18 -2.17 119.74 128.79 1ure s LYS 37 Ca 0.68 -0.15 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 1ure s LYS 37 Cb -0.49 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.02 1ure s LYS 37 CO 0.28 -0.59 0.15 -0.51 -0.36 0.00 0.00 175.35 174.32 1ure s LEU 38 N 2.32 4.01 -0.50 5.43 1.43 0.36 -2.16 118.68 129.56 1ure s LEU 38 Ca 0.18 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1ure s LEU 38 Cb -0.16 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 44.18 1ure s LEU 38 CO 0.13 -0.16 0.38 -0.89 0.23 0.00 0.00 176.35 176.04 1ure s THR 39 N 1.63 4.32 -0.11 5.49 2.01 -0.81 -0.29 115.64 127.88 1ure s THR 39 Ca 0.05 -1.86 -0.22 0.00 0.31 0.00 0.00 61.69 59.98 1ure s THR 39 Cb -0.17 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1ure s THR 39 CO 0.06 -0.80 0.64 -0.63 -0.69 0.00 0.00 174.62 173.21 1ure s ILE 40 N 1.26 5.07 -0.75 1.82 1.01 0.36 0.12 121.20 130.09 1ure s ILE 40 Ca 0.07 1.29 0.04 0.00 0.00 0.00 0.00 60.65 62.04 1ure s ILE 40 Cb -0.26 -3.98 0.26 0.00 0.01 0.00 0.00 42.46 38.50 1ure s ILE 40 CO -0.01 0.23 0.90 0.41 0.00 0.00 0.00 174.94 176.47 1ure n THR 41 N 3.98 3.00 -1.90 2.92 -1.04 -0.58 0.14 114.28 120.79 1ure n THR 41 Ca -0.02 -5.36 -0.43 0.00 -2.04 0.00 0.00 64.05 56.20 1ure n THR 41 Cb 0.51 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 1ure n THR 41 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1ure s GLN 42 N -2.48 3.55 0.00 -2.82 -0.44 -1.26 -4.20 119.66 112.01 1ure s GLN 42 Ca 0.37 1.81 0.00 0.00 -2.50 0.00 0.00 55.36 55.04 1ure s GLN 42 Cb 0.11 -4.18 0.00 0.00 -1.64 0.00 0.00 33.01 27.30 1ure s GLN 42 CO 0.00 -1.61 0.00 -1.91 0.50 0.00 0.00 175.29 172.28 1ure n GLU 43 N 8.13 0.00 -0.05 1.67 2.13 -1.21 -4.83 120.64 126.49 1ure n GLU 43 Ca 0.23 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.96 1ure n GLU 43 Cb 0.45 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.13 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ure n GLY 44 N 4.32 -0.14 0.00 8.31 0.00 -1.26 -4.89 105.19 111.52 1ure n GLY 44 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.30 3.10 -4.93 1.61 5.03 -1.26 -5.08 115.26 110.44 1ure n ASN 45 Ca -0.17 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.02 1ure n ASN 45 Cb 0.63 0.61 0.00 0.00 -1.02 0.00 0.00 39.78 40.00 1ure n ASN 45 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ure s LYS 46 N -1.26 3.38 -0.45 3.52 1.02 -1.26 -2.32 119.74 122.38 1ure s LYS 46 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 55.97 55.98 1ure s LYS 46 Cb 0.00 -2.47 0.26 0.00 -0.52 0.00 0.00 37.83 35.09 1ure s LYS 46 CO 0.00 -0.17 0.59 1.19 -0.92 0.00 0.00 175.35 176.04 1ure n PHE 47 N -2.13 0.62 -2.41 3.18 3.01 -1.19 -3.30 117.46 115.24 1ure n PHE 47 Ca -0.00 -3.71 -0.43 0.00 1.01 0.00 0.00 57.45 54.32 1ure n PHE 47 Cb 0.56 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1ure n PHE 47 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1ure s THR 48 N -1.57 4.20 -0.19 4.37 -1.32 -1.26 -3.44 115.64 116.43 1ure s THR 48 Ca 0.37 1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 62.34 1ure s THR 48 Cb 0.17 -3.97 0.01 0.00 -1.51 0.00 0.00 72.50 67.20 1ure s THR 48 CO -0.09 -0.06 -0.13 0.68 -2.21 0.00 0.00 174.62 172.81 1ure s VAL 49 N 2.82 2.64 0.47 5.08 -7.23 -0.20 -1.52 120.40 122.46 1ure s VAL 49 Ca 0.56 -0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 59.75 1ure s VAL 49 Cb -0.24 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 1ure s VAL 49 CO 0.19 0.49 1.29 -0.75 -0.31 0.00 0.00 175.10 176.01 1ure s LYS 50 N 1.28 3.59 -0.37 4.82 2.20 0.12 0.87 119.74 132.25 1ure s LYS 50 Ca 0.04 2.08 0.13 0.00 -0.36 0.00 0.00 55.97 57.86 1ure s LYS 50 Cb -0.14 -2.46 0.43 0.00 -1.51 0.00 0.00 37.83 34.15 1ure s LYS 50 CO -0.07 -0.78 0.97 -1.91 -0.36 0.00 0.00 175.35 173.19 1ure n GLU 51 N -0.49 1.81 -1.66 4.03 2.13 -1.17 -1.93 120.64 123.35 1ure n GLU 51 Ca 0.07 -3.67 -0.16 0.00 0.66 0.00 0.00 57.16 54.06 1ure n GLU 51 Cb 0.45 -1.60 -0.08 0.00 0.27 0.00 0.00 31.44 30.48 1ure n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ure s SER 52 N -3.17 3.95 -0.35 4.31 0.01 -0.92 -4.43 113.70 113.11 1ure s SER 52 Ca 0.35 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.25 1ure s SER 52 Cb 0.42 -2.57 0.45 0.00 0.21 0.00 0.00 66.02 64.53 1ure s SER 52 CO -0.04 -3.98 1.14 -1.20 0.41 0.00 0.00 173.24 169.56 1ure n SER 53 N 18.24 4.42 0.00 2.44 7.64 -1.21 -1.01 113.62 144.14 1ure n SER 53 Ca 0.44 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.76 1ure n SER 53 Cb 0.45 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1ure n SER 53 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ure n ASN 54 N -0.58 0.00 0.33 6.43 2.85 -1.17 -4.43 115.26 118.69 1ure n ASN 54 Ca 0.38 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.68 1ure n ASN 54 Cb 0.83 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.77 1ure n ASN 54 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ure h PHE 55 N 0.00 -0.76 -3.01 1.20 0.04 -1.90 -3.45 116.94 109.05 1ure h PHE 55 Ca 0.00 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 1ure h PHE 55 Cb 0.00 0.25 -0.23 0.00 2.20 0.00 0.00 35.95 38.18 1ure h PHE 55 CO 0.00 -0.43 -0.32 0.50 -0.60 0.00 0.00 178.31 177.46 1ure s ARG 56 N -5.45 0.50 -1.09 1.51 3.52 -1.26 -5.07 118.95 111.62 1ure s ARG 56 Ca -0.16 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 1ure s ARG 56 Cb 0.03 0.23 0.25 0.00 -1.56 0.00 0.00 34.95 33.89 1ure s ARG 56 CO 0.56 -0.10 1.13 1.21 -0.81 0.00 0.00 175.30 177.29 1ure s ASN 57 N -0.51 7.18 -0.33 -2.12 3.04 -1.26 -3.33 114.94 117.61 1ure s ASN 57 Ca -0.06 -3.31 0.04 0.00 0.04 0.00 0.00 52.86 49.56 1ure s ASN 57 Cb -0.04 -2.25 0.10 0.00 -1.54 0.00 0.00 41.25 37.52 1ure s ASN 57 CO 0.02 -0.44 0.04 -0.51 -3.04 0.00 0.00 177.10 173.18 1ure s ILE 58 N -0.40 2.20 -0.05 -5.21 2.07 -1.26 -4.98 121.20 113.56 1ure s ILE 58 Ca 0.31 -2.26 -0.30 0.00 -1.41 0.00 0.00 60.65 57.00 1ure s ILE 58 Cb -0.08 -2.61 -0.07 0.00 0.13 0.00 0.00 42.46 39.83 1ure s ILE 58 CO -0.07 -0.57 1.88 -1.81 -1.91 0.00 0.00 174.94 172.47 1ure s ASP 59 N 0.95 6.35 -0.50 4.50 1.01 -1.26 -3.07 116.67 124.66 1ure s ASP 59 Ca 0.10 2.33 -0.14 0.00 0.71 0.00 0.00 52.55 55.54 1ure s ASP 59 Cb -0.19 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.32 1ure s ASP 59 CO -0.09 -1.18 0.42 0.54 0.21 0.00 0.00 175.17 175.08 1ure s VAL 60 N 4.99 5.01 0.08 -1.27 0.11 0.25 -4.76 120.40 124.82 1ure s VAL 60 Ca 0.84 -1.37 -0.22 0.00 -2.93 0.00 0.00 61.98 58.31 1ure s VAL 60 Cb -0.37 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.29 1ure s VAL 60 CO 0.36 -0.72 0.66 0.68 -3.33 0.00 0.00 175.10 172.75 1ure s VAL 61 N 1.57 4.68 -0.29 2.04 -7.23 -1.26 -1.03 120.40 118.87 1ure s VAL 61 Ca 0.04 1.42 0.02 0.00 -1.81 0.00 0.00 61.98 61.65 1ure s VAL 61 Cb -0.27 -4.00 0.17 0.00 0.56 0.00 0.00 36.38 32.84 1ure s VAL 61 CO 0.04 0.49 0.44 0.72 -0.31 0.00 0.00 175.10 176.48 1ure s PHE 62 N -0.76 -1.15 0.21 2.82 -0.12 -1.22 -4.94 117.98 112.83 1ure s PHE 62 Ca 0.33 0.49 -0.32 0.00 -0.05 0.00 0.00 56.93 57.37 1ure s PHE 62 Cb -0.20 -0.06 -0.12 0.00 -0.63 0.00 0.00 43.02 42.00 1ure s PHE 62 CO 0.21 -0.99 1.70 -1.91 -0.05 0.00 0.00 175.22 174.18 1ure n GLU 63 N 5.37 2.73 -1.65 1.99 2.13 -1.26 -3.19 120.64 126.75 1ure n GLU 63 Ca 0.01 0.98 -0.52 0.00 0.66 0.00 0.00 57.16 58.30 1ure n GLU 63 Cb 0.50 -2.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.34 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 3.78 2.90 0.00 4.31 4.77 -0.98 -0.44 117.00 131.33 1ure n LEU 64 Ca 0.15 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1ure n LEU 64 Cb 0.35 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ure n LEU 64 CO 0.64 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1ure n GLY 65 N 4.75 0.63 3.70 -0.72 0.00 -0.86 -5.02 105.19 107.67 1ure n GLY 65 Ca 0.27 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1ure n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ure s VAL 66 N -2.00 5.22 -0.35 1.61 0.11 0.41 -5.00 120.40 120.41 1ure s VAL 66 Ca 0.00 0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 58.94 1ure s VAL 66 Cb 0.00 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.48 1ure s VAL 66 CO 0.00 0.44 0.81 -0.62 -3.33 0.00 0.00 175.10 172.40 1ure s ASP 67 N 0.43 6.61 0.18 3.54 -1.08 -1.26 -4.54 116.67 120.55 1ure s ASP 67 Ca 0.07 0.49 0.08 0.00 -0.52 0.00 0.00 52.55 52.67 1ure s ASP 67 Cb -0.12 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 1ure s ASP 67 CO -0.01 -0.71 -0.02 0.72 0.52 0.00 0.00 175.17 175.67 1ure s PHE 68 N 3.11 2.79 -0.15 -5.34 -0.71 -1.06 -4.92 117.98 111.70 1ure s PHE 68 Ca 0.33 -0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 1ure s PHE 68 Cb -0.13 -1.35 -0.03 0.00 -1.21 0.00 0.00 43.02 40.31 1ure s PHE 68 CO 0.16 0.52 -0.05 0.00 -1.34 0.00 0.00 175.22 174.52 1ure s ALA 69 N -1.77 2.97 -0.30 1.99 0.00 -1.26 -1.62 121.76 121.76 1ure s ALA 69 Ca 0.27 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1ure s ALA 69 Cb -0.09 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.60 1ure s ALA 69 CO 0.18 0.22 0.08 -0.47 0.00 0.00 0.00 175.76 175.78 1ure s TYR 70 N 0.34 1.86 -0.07 0.00 5.04 -0.81 -4.94 117.35 118.76 1ure s TYR 70 Ca -0.05 -1.78 -0.30 0.00 -2.44 0.00 0.00 57.07 52.51 1ure s TYR 70 Cb -0.14 -1.76 -0.05 0.00 0.35 0.00 0.00 41.96 40.35 1ure s TYR 70 CO 0.03 -0.86 1.65 -1.12 -1.34 0.00 0.00 175.55 173.92 1ure s SER 71 N 1.57 6.63 1.21 4.32 0.01 -1.26 -3.26 113.70 122.91 1ure s SER 71 Ca 0.08 2.17 -0.13 0.00 1.31 0.00 0.00 55.95 59.38 1ure s SER 71 Cb -0.17 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.72 1ure s SER 71 CO -0.22 -0.97 0.59 0.18 0.41 0.00 0.00 173.24 173.23 1ure n LEU 72 N 7.31 0.00 0.06 2.44 4.77 -0.92 -4.86 117.00 125.80 1ure n LEU 72 Ca 0.18 -0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 55.41 1ure n LEU 72 Cb 0.43 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1ure n LEU 72 CO 0.63 -1.95 0.21 0.00 -1.33 0.00 0.00 177.39 174.95 1ure h ALA 73 N -2.67 0.40 0.00 -1.18 0.00 -1.92 -3.39 119.26 110.49 1ure h ALA 73 Ca -0.24 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1ure h ALA 73 Cb 0.76 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1ure h ALA 73 CO 0.15 0.80 -0.32 -3.47 0.00 0.00 0.00 179.25 176.42 1ure n ASP 74 N -3.77 -0.12 0.00 0.00 2.03 -1.26 -4.90 116.55 108.53 1ure n ASP 74 Ca -0.06 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1ure n ASP 74 Cb 0.81 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 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 0.07 1.00 3.32 0.27 0.00 -1.26 -4.88 105.19 103.71 1ure n GLY 75 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.99 0.00 -1.66 2.61 -2.24 -1.26 -4.78 114.28 105.96 1ure n THR 76 Ca 0.00 0.00 -0.59 0.00 -2.27 0.00 0.00 64.05 61.19 1ure n THR 76 Cb 0.00 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.30 0.70 -3.41 -0.78 1.02 -1.26 -2.17 120.64 113.43 1ure n GLU 77 Ca 0.00 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.17 1ure n GLU 77 Cb 0.10 -1.86 -0.10 0.00 -0.02 0.00 0.00 31.44 29.57 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 2.17 0.41 -0.14 -4.62 0.20 -1.20 -3.79 118.68 111.70 1ure s LEU 78 Ca 0.96 -1.86 -0.06 0.00 0.69 0.00 0.00 54.13 53.86 1ure s LEU 78 Cb -1.18 0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.67 1ure s LEU 78 CO 0.64 -0.28 0.07 -0.89 -0.29 0.00 0.00 176.35 175.60 1ure s THR 79 N 1.26 4.86 0.00 3.68 2.01 0.12 -1.93 115.64 125.65 1ure s THR 79 Ca 0.17 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1ure s THR 79 Cb -0.19 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1ure s THR 79 CO -0.01 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1ure n GLY 80 N 2.67 1.78 3.47 4.40 0.00 -0.64 0.13 105.19 116.99 1ure n GLY 80 Ca -0.18 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1ure n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ure s THR 81 N -2.41 0.00 -0.03 2.61 -4.23 -0.94 -2.57 115.64 108.07 1ure s THR 81 Ca 0.00 -1.62 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1ure s THR 81 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1ure s THR 81 CO 0.00 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 174.22 1ure s TRP 82 N -3.43 1.22 -0.02 3.99 0.52 -1.26 -0.91 118.94 119.05 1ure s TRP 82 Ca 0.30 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1ure s TRP 82 Cb 0.01 -0.85 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 1ure s TRP 82 CO 0.17 -0.13 -0.04 -0.08 0.02 0.00 0.00 176.95 176.89 1ure s THR 83 N 0.16 0.40 -0.21 2.01 -1.32 -0.70 -2.02 115.64 113.96 1ure s THR 83 Ca -0.04 -0.13 -0.26 0.00 -1.21 0.00 0.00 61.69 60.06 1ure s THR 83 Cb -0.10 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.49 1ure s THR 83 CO 0.01 0.15 0.86 -0.32 -2.21 0.00 0.00 174.62 173.12 1ure s MET 84 N 0.43 4.24 0.31 7.08 1.75 -1.26 -0.88 119.30 130.96 1ure s MET 84 Ca -0.05 1.04 0.16 0.00 -1.25 0.00 0.00 55.69 55.59 1ure s MET 84 Cb -0.08 -3.62 0.12 0.00 2.84 0.00 0.00 34.83 34.09 1ure s MET 84 CO -0.00 -0.46 1.48 0.93 -0.65 0.00 0.00 175.02 176.31 1ure h GLU 85 N 7.51 0.00 0.00 4.11 5.08 -0.63 -3.48 114.58 127.16 1ure h GLU 85 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ure h GLU 85 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ure h GLU 85 CO 0.87 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 179.71 1ure n GLY 86 N 1.19 -0.62 0.50 -3.84 0.00 -1.26 -4.89 105.19 96.27 1ure n GLY 86 Ca 0.02 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1ure n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 87 N 0.00 1.62 -3.92 1.61 3.02 -1.26 -4.88 115.26 111.45 1ure n ASN 87 Ca 0.00 -1.48 -0.10 0.00 -0.03 0.00 0.00 54.58 52.97 1ure n ASN 87 Cb 0.00 0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.08 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ure s LYS 88 N -2.07 0.27 -0.04 3.52 1.02 -1.26 -4.52 119.74 116.66 1ure s LYS 88 Ca 0.35 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.00 1ure s LYS 88 Cb 0.21 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1ure s LYS 88 CO 0.36 -0.05 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.51 1ure s LEU 89 N -0.99 3.26 -0.12 3.17 2.96 -0.81 0.19 118.68 126.34 1ure s LEU 89 Ca -0.11 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1ure s LEU 89 Cb -0.06 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.86 1ure s LEU 89 CO -0.00 0.33 -0.18 0.68 -1.32 0.00 0.00 176.35 175.86 1ure s VAL 90 N -0.91 1.72 -0.40 1.68 -7.23 -0.06 0.14 120.40 115.34 1ure s VAL 90 Ca 0.15 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 1ure s VAL 90 Cb -0.11 -1.55 0.04 0.00 0.56 0.00 0.00 36.38 35.32 1ure s VAL 90 CO 0.04 0.48 0.25 -0.83 -0.31 0.00 0.00 175.10 174.74 1ure s GLY 91 N 0.97 1.96 0.12 2.32 0.00 0.13 -1.72 107.32 111.11 1ure s GLY 91 Ca -0.06 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.89 1ure s GLY 91 CO -0.03 0.89 0.18 0.54 0.00 0.00 0.00 173.10 174.69 1ure s LYS 92 N 1.57 3.17 -0.21 2.90 1.02 -0.09 0.04 119.74 128.14 1ure s LYS 92 Ca 0.03 -0.66 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1ure s LYS 92 Cb -0.20 -2.84 0.11 0.00 -0.52 0.00 0.00 37.83 34.37 1ure s LYS 92 CO 0.07 0.54 0.31 -0.06 -0.92 0.00 0.00 175.35 175.29 1ure s PHE 93 N -1.62 -0.59 -0.12 3.18 0.40 0.15 -2.21 117.98 117.18 1ure s PHE 93 Ca 0.33 0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 57.16 1ure s PHE 93 Cb -0.11 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.27 1ure s PHE 93 CO 0.26 -0.63 0.43 0.15 0.70 0.00 0.00 175.22 176.13 1ure s LYS 94 N 2.46 4.30 0.02 0.44 1.02 0.35 -0.67 119.74 127.66 1ure s LYS 94 Ca 0.09 0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.35 1ure s LYS 94 Cb -0.15 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.68 1ure s LYS 94 CO -0.14 0.20 0.33 0.50 -0.92 0.00 0.00 175.35 175.33 1ure s ARG 95 N 0.50 3.70 0.18 1.68 3.52 -1.26 0.16 118.95 127.43 1ure s ARG 95 Ca 0.24 0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.89 1ure s ARG 95 Cb -0.15 -3.09 0.07 0.00 -1.56 0.00 0.00 34.95 30.23 1ure s ARG 95 CO 0.09 0.64 1.51 -0.39 -0.81 0.00 0.00 175.30 176.34 1ure h VAL 96 N 3.20 1.29 0.00 7.11 -1.51 -1.94 0.39 116.25 124.79 1ure h VAL 96 Ca -0.50 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 1ure h VAL 96 Cb 1.20 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1ure h VAL 96 CO 0.64 0.53 0.10 -0.90 -1.23 0.00 0.00 177.57 176.71 1ure n ASP 97 N -4.02 0.23 0.00 4.19 5.75 -1.26 -3.65 116.55 117.79 1ure n ASP 97 Ca -0.03 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1ure n ASP 97 Cb 0.56 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1ure n ASN 98 N -1.78 0.00 -1.86 -1.12 2.04 -1.15 -5.00 115.26 106.38 1ure n ASN 98 Ca -0.01 -1.00 -0.05 0.00 -0.44 0.00 0.00 54.58 53.09 1ure n ASN 98 Cb 0.11 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.35 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ure n GLY 99 N 0.00 -0.06 0.00 4.83 0.00 0.14 -4.87 105.19 105.23 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 -2.02 0.00 0.00 1.61 4.76 -1.26 -4.89 118.16 116.36 1ure n LYS 100 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1ure n LYS 100 Cb 0.37 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1ure n LYS 100 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ure n GLU 101 N 0.00 0.00 -3.72 1.97 2.13 -1.26 -4.85 120.64 114.91 1ure n GLU 101 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1ure n GLU 101 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ure s LEU 102 N 0.00 0.20 0.27 4.31 0.20 0.15 -4.42 118.68 119.40 1ure s LEU 102 Ca 0.00 0.83 0.11 0.00 0.69 0.00 0.00 54.13 55.77 1ure s LEU 102 Cb 0.00 1.33 -0.05 0.00 -0.43 0.00 0.00 46.19 47.04 1ure s LEU 102 CO 0.00 -0.17 -0.15 -0.51 -0.29 0.00 0.00 176.35 175.23 1ure s ILE 103 N 0.84 2.73 -0.02 6.68 1.10 0.88 0.32 121.20 133.73 1ure s ILE 103 Ca -0.05 -2.27 -0.22 0.00 -0.51 0.00 0.00 60.65 57.60 1ure s ILE 103 Cb -0.06 -2.44 0.04 0.00 0.15 0.00 0.00 42.46 40.16 1ure s ILE 103 CO -0.06 -0.39 0.47 0.00 -2.11 0.00 0.00 174.94 172.85 1ure s ALA 104 N -2.45 -1.22 -0.19 1.50 0.00 0.11 0.03 121.76 119.54 1ure s ALA 104 Ca 0.30 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 1ure s ALA 104 Cb -0.05 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.21 1ure s ALA 104 CO 0.16 -0.33 0.06 0.54 0.00 0.00 0.00 175.76 176.19 1ure s VAL 105 N -1.42 0.25 -0.72 0.00 0.11 0.48 0.22 120.40 119.32 1ure s VAL 105 Ca -0.12 -0.40 -0.26 0.00 -2.93 0.00 0.00 61.98 58.27 1ure s VAL 105 Cb -0.03 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1ure s VAL 105 CO 0.06 -0.26 1.82 -0.13 -3.33 0.00 0.00 175.10 173.26 1ure s ARG 106 N 1.98 2.69 -1.17 1.54 0.52 0.38 -2.96 118.95 121.93 1ure s ARG 106 Ca 0.01 0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.35 1ure s ARG 106 Cb -0.17 -4.60 0.23 0.00 0.52 0.00 0.00 34.95 30.94 1ure s ARG 106 CO -0.09 -2.84 1.53 -1.91 0.02 0.00 0.00 175.30 172.01 1ure n GLU 107 N 9.10 3.83 -1.55 3.54 2.13 0.21 -1.92 120.64 135.98 1ure n GLU 107 Ca 0.25 -4.09 -0.31 0.00 0.66 0.00 0.00 57.16 53.67 1ure n GLU 107 Cb 0.50 -2.75 -0.04 0.00 0.27 0.00 0.00 31.44 29.42 1ure n GLU 107 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1ure n ILE 108 N 2.82 -0.07 -2.15 6.31 3.06 -1.26 -3.68 119.36 124.40 1ure n ILE 108 Ca 0.32 -0.72 -0.42 0.00 -2.50 0.00 0.00 62.75 59.42 1ure n ILE 108 Cb 0.37 -2.58 0.00 0.00 0.54 0.00 0.00 39.64 37.98 1ure n ILE 108 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1ure n SER 109 N 16.50 4.54 0.00 9.51 2.88 0.29 -4.78 113.62 142.56 1ure n SER 109 Ca 0.40 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.98 1ure n SER 109 Cb 0.51 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ure n GLY 110 N 3.77 1.50 0.03 0.46 0.00 -1.26 -3.19 105.19 106.49 1ure n GLY 110 Ca 0.46 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.83 1ure n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 111 N 4.84 0.60 -4.56 1.61 4.13 -1.26 -3.95 115.26 116.66 1ure n ASN 111 Ca 0.00 -0.25 -0.34 0.00 1.68 0.00 0.00 54.58 55.67 1ure n ASN 111 Cb 0.00 0.91 -0.11 0.00 -1.54 0.00 0.00 39.78 39.04 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 112 N -3.21 3.30 -0.07 3.52 2.02 -1.19 -4.43 118.70 118.62 1ure s GLU 112 Ca 0.03 -0.50 -0.07 0.00 0.02 0.00 0.00 54.97 54.45 1ure s GLU 112 Cb 0.14 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 1ure s GLU 112 CO 0.82 0.45 0.18 -1.17 0.02 0.00 0.00 175.26 175.56 1ure s LEU 113 N -0.20 4.39 -0.04 1.80 0.20 -1.26 0.10 118.68 123.67 1ure s LEU 113 Ca 0.04 0.49 -0.02 0.00 0.69 0.00 0.00 54.13 55.32 1ure s LEU 113 Cb -0.13 -2.29 0.02 0.00 -0.43 0.00 0.00 46.19 43.37 1ure s LEU 113 CO 0.02 0.36 0.09 -0.63 -0.29 0.00 0.00 176.35 175.90 1ure s ILE 114 N -1.13 -0.03 -0.21 6.68 1.01 -1.24 0.87 121.20 127.16 1ure s ILE 114 Ca 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 1ure s ILE 114 Cb -0.13 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.21 1ure s ILE 114 CO 0.09 0.04 -0.13 -1.10 0.00 0.00 0.00 174.94 173.84 1ure s GLN 115 N 0.61 3.00 0.06 2.79 -0.21 0.15 0.65 119.66 126.72 1ure s GLN 115 Ca -0.05 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.50 1ure s GLN 115 Cb -0.07 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.14 1ure s GLN 115 CO -0.02 -0.26 -0.05 -0.08 -2.12 0.00 0.00 175.29 172.75 1ure s THR 116 N 1.33 0.46 -0.55 -0.19 -1.32 -1.15 0.17 115.64 114.38 1ure s THR 116 Ca 0.03 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1ure s THR 116 Cb -0.14 -1.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1ure s THR 116 CO -0.09 -0.77 0.00 -1.22 -2.21 0.00 0.00 174.62 170.33 1ure n TYR 117 N 0.49 0.00 -1.80 9.09 4.01 -1.20 0.18 117.16 127.92 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 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.99 0.00 -0.04 -0.72 5.66 0.10 0.48 114.28 120.76 1ure n THR 118 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 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 0.00 1.09 4.19 -1.26 0.30 117.16 121.48 1ure n TYR 119 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ure n TYR 119 Cb 0.00 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 39.57 1ure n TYR 119 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1ure n GLU 120 N -3.72 0.00 -0.04 2.98 2.13 -1.26 -3.32 120.64 117.41 1ure n GLU 120 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1ure n GLU 120 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.99 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ure n GLY 121 N 3.52 -2.60 3.08 8.31 0.00 -1.26 -5.00 105.19 111.24 1ure n GLY 121 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.32 1.35 1.61 1.01 -1.26 -5.09 120.40 121.34 1ure s VAL 122 Ca 0.00 -2.62 -0.20 0.00 0.00 0.00 0.00 61.98 59.16 1ure s VAL 122 Cb 0.00 -3.24 0.33 0.00 0.00 0.00 0.00 36.38 33.47 1ure s VAL 122 CO 0.00 -0.78 0.78 -0.62 0.00 0.00 0.00 175.10 174.48 1ure n GLU 123 N 3.91 -3.95 -3.15 2.72 1.02 -1.26 -4.51 120.64 115.42 1ure n GLU 123 Ca 0.03 -1.16 0.05 0.00 -0.02 0.00 0.00 57.16 56.06 1ure n GLU 123 Cb 0.39 -1.89 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1ure n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ure s ALA 124 N -2.16 -3.78 0.67 0.62 0.00 0.18 -3.99 121.76 113.29 1ure s ALA 124 Ca 0.62 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 1ure s ALA 124 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1ure s ALA 124 CO 0.55 -1.87 1.06 0.15 0.00 0.00 0.00 175.76 175.66 1ure s LYS 125 N 2.95 3.18 -0.44 0.00 3.01 0.14 -3.24 119.74 125.35 1ure s LYS 125 Ca 0.17 0.63 0.05 0.00 -1.01 0.00 0.00 55.97 55.81 1ure s LYS 125 Cb -0.05 -2.04 0.18 0.00 -1.01 0.00 0.00 37.83 34.91 1ure s LYS 125 CO -0.19 -0.85 0.46 0.54 0.51 0.00 0.00 175.35 175.82 1ure n ARG 126 N -2.91 0.32 -2.47 1.68 1.74 0.45 -1.97 116.66 113.49 1ure n ARG 126 Ca 0.07 -2.88 -0.43 0.00 -0.77 0.00 0.00 57.85 53.84 1ure n ARG 126 Cb 0.55 -1.58 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.17 4.08 0.55 0.55 -1.09 0.30 0.31 121.20 126.06 1ure s ILE 127 Ca 0.32 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 1ure s ILE 127 Cb 0.05 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1ure s ILE 127 CO -0.16 -0.81 0.78 -0.36 -1.23 0.00 0.00 174.94 173.17 1ure s PHE 128 N 4.83 2.91 0.00 3.97 0.40 0.25 -1.24 117.98 129.10 1ure s PHE 128 Ca 0.55 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 1ure s PHE 128 Cb -0.11 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.68 1ure s PHE 128 CO 0.30 -0.85 0.15 1.63 0.70 0.00 0.00 175.22 177.15 1ure n LYS 129 N -2.36 3.16 -1.87 0.44 4.76 -1.24 -4.11 118.16 116.94 1ure n LYS 129 Ca 0.07 -0.15 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 1ure n LYS 129 Cb 0.59 -0.59 -0.02 0.00 -1.84 0.00 0.00 35.03 33.18 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 -0.49 -1.97 0.00 1.97 0.00 -1.26 -4.79 118.16 111.61 1ure n LYS 130 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 58.31 60.07 1ure n LYS 130 Cb 0.02 -2.60 0.00 0.00 0.00 0.00 0.00 35.03 32.45 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79