#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ure h PHE 2 N 0.00 0.00 -1.58 0.00 -5.15 -1.96 -3.41 116.94 104.84 1ure h PHE 2 Ca 0.00 0.00 -0.43 0.00 -0.20 0.00 0.00 57.97 57.34 1ure h PHE 2 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1ure h PHE 2 CO 0.00 0.00 1.40 -0.51 -2.00 0.00 0.00 178.31 177.20 1ure s ASP 3 N -5.64 4.64 0.00 -0.68 1.01 -1.26 -4.53 116.67 110.21 1ure s ASP 3 Ca -0.05 0.73 0.00 0.00 0.71 0.00 0.00 52.55 53.95 1ure s ASP 3 Cb 0.16 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1ure s ASP 3 CO 0.56 -2.82 0.00 0.61 0.21 0.00 0.00 175.17 173.72 1ure n GLY 4 N 6.02 -0.28 3.92 0.21 0.00 0.24 -4.98 105.19 110.32 1ure n GLY 4 Ca 0.33 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.02 5.02 -0.05 2.61 -1.32 -1.26 0.15 115.64 117.77 1ure s THR 5 Ca 0.00 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 1ure s THR 5 Cb 0.00 -3.85 0.02 0.00 -1.51 0.00 0.00 72.50 67.16 1ure s THR 5 CO 0.00 -0.64 0.28 0.26 -2.21 0.00 0.00 174.62 172.31 1ure s TRP 6 N -2.44 -0.21 -0.33 9.09 0.52 0.39 -1.26 118.94 124.70 1ure s TRP 6 Ca 0.43 0.42 -0.00 0.00 0.02 0.00 0.00 56.10 56.98 1ure s TRP 6 Cb -0.10 0.08 0.14 0.00 -1.15 0.00 0.00 33.47 32.44 1ure s TRP 6 CO 0.38 -0.28 0.25 0.21 0.02 0.00 0.00 176.95 177.54 1ure s LYS 7 N -0.71 0.46 -0.10 4.98 2.20 -1.25 0.14 119.74 125.45 1ure s LYS 7 Ca -0.08 -0.85 -0.39 0.00 -0.36 0.00 0.00 55.97 54.29 1ure s LYS 7 Cb -0.04 -1.01 -0.17 0.00 -1.51 0.00 0.00 37.83 35.10 1ure s LYS 7 CO 0.02 -1.14 1.48 1.55 -0.36 0.00 0.00 175.35 176.90 1ure n VAL 8 N 4.55 0.11 -0.00 4.02 3.14 -0.54 -3.76 118.33 125.85 1ure n VAL 8 Ca 0.06 -0.02 -0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1ure n VAL 8 Cb 0.42 -0.85 -0.00 0.00 -1.06 0.00 0.00 33.84 32.34 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 3.55 4.63 -3.82 6.55 2.03 -0.74 -4.61 116.55 124.14 1ure n ASP 9 Ca 0.22 -0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.37 1ure n ASP 9 Cb 0.14 0.40 -0.16 0.00 -0.72 0.00 0.00 41.12 40.78 1ure n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ure s ARG 10 N -2.02 0.23 0.51 -0.67 1.70 -1.13 -5.06 118.95 112.51 1ure s ARG 10 Ca -0.01 0.07 0.08 0.00 -0.47 0.00 0.00 55.73 55.40 1ure s ARG 10 Cb 0.00 -0.40 0.08 0.00 -0.57 0.00 0.00 34.95 34.06 1ure s ARG 10 CO 0.03 -0.11 0.66 0.09 -1.08 0.00 0.00 175.30 174.88 1ure n ASN 11 N 3.98 1.95 -2.72 -2.89 3.02 -1.26 -1.06 115.26 116.28 1ure n ASN 11 Ca -0.25 -2.40 -0.08 0.00 -0.03 0.00 0.00 54.58 51.82 1ure n ASN 11 Cb 0.51 -0.33 0.09 0.00 -0.61 0.00 0.00 39.78 39.44 1ure n ASN 11 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ure n GLU 12 N -2.05 0.77 0.00 3.52 2.13 0.78 -4.86 120.64 120.94 1ure n GLU 12 Ca 0.12 -1.61 0.00 0.00 0.66 0.00 0.00 57.16 56.33 1ure n GLU 12 Cb 0.53 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.32 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 0.70 0.00 0.15 4.31 5.15 -1.26 -2.90 115.26 121.41 1ure n ASN 13 Ca 0.04 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.07 1ure n ASN 13 Cb 0.70 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.99 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 0.00 0.00 -0.05 1.20 5.03 -1.79 -2.65 116.97 118.71 1ure h TYR 14 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1ure h TYR 14 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1ure h TYR 14 CO 0.00 0.40 -0.22 1.05 -1.32 0.00 0.00 178.16 178.07 1ure h GLU 15 N 0.00 0.24 0.00 1.82 4.11 -1.95 -3.25 114.58 115.55 1ure h GLU 15 Ca -0.01 -0.19 -0.02 0.00 0.07 0.00 0.00 59.36 59.21 1ure h GLU 15 Cb 1.31 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ure h GLU 15 CO 0.05 0.84 -0.10 -0.22 0.07 0.00 0.00 179.01 179.65 1ure h LYS 16 N -0.30 0.00 0.00 1.06 3.64 -1.94 -3.25 116.57 115.79 1ure h LYS 16 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1ure h LYS 16 Cb 0.88 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1ure h LYS 16 CO 0.05 0.10 -0.26 0.35 -2.27 0.00 0.00 179.45 177.41 1ure h PHE 17 N 0.00 0.00 0.00 1.91 3.57 -1.51 -2.39 116.94 118.52 1ure h PHE 17 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ure h PHE 17 Cb 0.99 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1ure h PHE 17 CO 0.00 0.26 -0.07 0.52 -2.23 0.00 0.00 178.31 176.79 1ure h MET 18 N 0.00 0.00 -0.10 1.11 0.00 -1.59 -2.75 114.93 111.59 1ure h MET 18 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 59.70 59.65 1ure h MET 18 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.47 1ure h MET 18 CO 0.03 0.07 -0.15 1.49 0.00 0.00 0.00 176.91 178.35 1ure h GLU 19 N 0.00 0.16 -0.00 1.72 4.81 -1.56 0.63 114.58 120.34 1ure h GLU 19 Ca -0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1ure h GLU 19 Cb 0.72 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1ure h GLU 19 CO 0.01 0.32 -0.72 -0.22 -0.73 0.00 0.00 179.01 177.67 1ure h LYS 20 N 0.15 0.02 0.11 1.92 1.63 -1.54 -3.08 116.57 115.77 1ure h LYS 20 Ca 0.03 -0.02 -0.29 0.00 -0.85 0.00 0.00 60.65 59.52 1ure h LYS 20 Cb 0.36 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1ure h LYS 20 CO 0.02 0.73 -1.21 0.52 -3.45 0.00 0.00 179.45 176.06 1ure h MET 21 N 0.01 0.63 0.00 1.90 2.86 -1.37 -3.47 114.93 115.49 1ure h MET 21 Ca -0.01 -0.82 0.00 0.00 -2.06 0.00 0.00 59.70 56.81 1ure h MET 21 Cb 1.27 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1ure h MET 21 CO 0.09 1.37 0.00 0.41 1.06 0.00 0.00 176.91 179.85 1ure n GLY 22 N 1.35 -0.38 3.73 8.32 0.00 -0.07 -5.04 105.19 113.09 1ure n GLY 22 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1ure n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ure s ILE 23 N 0.00 3.97 -0.20 -0.61 1.09 0.20 -4.94 121.20 120.70 1ure s ILE 23 Ca 0.00 1.60 -0.13 0.00 -1.10 0.00 0.00 60.65 61.03 1ure s ILE 23 Cb 0.00 -4.03 -0.20 0.00 -1.06 0.00 0.00 42.46 37.18 1ure s ILE 23 CO 0.00 0.23 0.09 0.59 -0.10 0.00 0.00 174.94 175.75 1ure n ASN 24 N 2.83 1.97 0.24 3.58 3.02 -1.26 -4.01 115.26 121.63 1ure n ASN 24 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1ure n ASN 24 Cb 0.46 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1ure n ASN 24 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ure n VAL 25 N -3.96 0.00 0.14 2.41 0.31 -1.26 -4.97 118.33 110.99 1ure n VAL 25 Ca -0.38 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 63.96 1ure n VAL 25 Cb 0.87 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.87 1ure n VAL 25 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1ure h VAL 26 N 0.00 1.03 0.00 2.52 -1.51 -2.00 -3.25 116.25 113.04 1ure h VAL 26 Ca 0.00 -2.28 -0.13 0.00 -1.23 0.00 0.00 66.70 63.06 1ure h VAL 26 Cb 0.00 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 1ure h VAL 26 CO 0.00 0.55 -0.62 0.11 -1.23 0.00 0.00 177.57 176.38 1ure h LYS 27 N 0.00 0.00 0.00 5.19 1.57 -1.96 -1.44 116.57 119.93 1ure h LYS 27 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1ure h LYS 27 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 1ure h LYS 27 CO 0.07 0.62 -0.38 0.07 -0.57 0.00 0.00 179.45 179.27 1ure h ARG 28 N 0.00 0.00 -0.15 3.15 0.11 -1.86 0.21 114.38 115.83 1ure h ARG 28 Ca -0.01 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.95 1ure h ARG 28 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1ure h ARG 28 CO 0.08 0.38 -0.38 -0.22 0.10 0.00 0.00 179.97 179.93 1ure h LYS 29 N 0.00 0.53 -0.00 0.08 1.63 -1.56 0.91 116.57 118.15 1ure h LYS 29 Ca -0.00 -0.36 -0.18 0.00 -0.85 0.00 0.00 60.65 59.26 1ure h LYS 29 Cb 1.29 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 1ure h LYS 29 CO 0.05 0.98 -0.81 1.25 -3.45 0.00 0.00 179.45 177.47 1ure h LEU 30 N 0.16 0.16 -0.42 5.20 5.85 -1.29 -2.29 115.31 122.68 1ure h LEU 30 Ca -0.00 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.41 1ure h LEU 30 Cb 0.99 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ure h LEU 30 CO 0.08 0.90 -0.74 1.23 -0.34 0.00 0.00 178.44 179.57 1ure h GLY 31 N 2.00 0.36 1.14 3.75 0.00 -0.45 -2.79 103.07 107.07 1ure h GLY 31 Ca -0.03 -0.52 -0.24 0.00 0.00 0.00 0.00 47.33 46.55 1ure h GLY 31 CO 0.12 0.46 -0.89 0.00 0.00 0.00 0.00 176.54 176.23 1ure h ALA 32 N 0.99 0.18 -1.57 3.60 0.00 0.90 -3.33 119.26 120.04 1ure h ALA 32 Ca -0.03 -0.64 -0.72 0.00 0.00 0.00 0.00 54.91 53.52 1ure h ALA 32 Cb 1.31 0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.80 1ure h ALA 32 CO 0.12 0.63 0.37 0.72 0.00 0.00 0.00 179.25 181.09 1ure n HIS 33 N -3.94 3.26 0.07 0.00 -0.00 -0.87 -4.78 115.22 108.96 1ure n HIS 33 Ca -0.10 -3.03 -0.01 0.00 -0.00 0.00 0.00 57.72 54.59 1ure n HIS 33 Cb 0.80 -0.88 -0.05 0.00 -0.00 0.00 0.00 29.99 29.86 1ure n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ure h ASP 34 N 3.53 0.00 -0.12 0.41 2.03 -1.61 -3.45 116.42 117.21 1ure h ASP 34 Ca 0.40 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.67 1ure h ASP 34 Cb 0.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 1ure h ASP 34 CO 1.07 0.63 -0.03 0.59 -1.03 0.00 0.00 179.24 180.48 1ure n ASN 35 N -3.07 -2.31 -4.52 4.15 4.13 -1.26 0.10 115.26 112.48 1ure n ASN 35 Ca -0.05 0.02 -0.35 0.00 1.68 0.00 0.00 54.58 55.88 1ure n ASN 35 Cb 0.83 -0.78 -0.13 0.00 -1.54 0.00 0.00 39.78 38.16 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ure n LEU 36 N -0.17 0.61 -4.34 3.41 7.94 -1.26 -4.41 117.00 118.79 1ure n LEU 36 Ca -0.01 -0.22 -0.46 0.00 -1.11 0.00 0.00 56.01 54.21 1ure n LEU 36 Cb 0.26 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.10 1ure n LEU 36 CO 0.02 -1.17 0.35 -0.75 -1.11 0.00 0.00 177.39 174.73 1ure s LYS 37 N 8.52 3.24 0.26 1.96 2.20 -1.05 -1.46 119.74 133.41 1ure s LYS 37 Ca 1.23 -1.86 -0.17 0.00 -0.36 0.00 0.00 55.97 54.81 1ure s LYS 37 Cb -0.86 -4.38 -0.08 0.00 -1.51 0.00 0.00 37.83 31.00 1ure s LYS 37 CO 0.42 -1.40 0.71 -1.17 -0.36 0.00 0.00 175.35 173.55 1ure s LEU 38 N 1.47 4.21 -0.50 5.43 2.96 0.37 -1.89 118.68 130.74 1ure s LEU 38 Ca 0.12 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 1ure s LEU 38 Cb -0.21 -3.78 0.16 0.00 0.50 0.00 0.00 46.19 42.86 1ure s LEU 38 CO -0.01 -0.07 0.34 -0.89 -1.32 0.00 0.00 176.35 174.40 1ure s THR 39 N -1.73 1.35 -0.29 3.68 2.01 -0.61 0.15 115.64 120.19 1ure s THR 39 Ca 0.48 -3.02 -0.28 0.00 0.31 0.00 0.00 61.69 59.18 1ure s THR 39 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1ure s THR 39 CO 0.19 -1.06 2.08 -0.63 -0.69 0.00 0.00 174.62 174.52 1ure s ILE 40 N -0.21 3.18 -0.66 1.82 -1.09 0.39 -2.45 121.20 122.18 1ure s ILE 40 Ca 0.25 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1ure s ILE 40 Cb -0.08 -3.26 0.16 0.00 -1.58 0.00 0.00 42.46 37.70 1ure s ILE 40 CO -0.12 -0.18 0.45 -0.89 -1.23 0.00 0.00 174.94 172.98 1ure s THR 41 N 8.21 3.13 0.31 2.92 2.01 0.18 0.80 115.64 133.19 1ure s THR 41 Ca 0.92 -3.74 -0.27 0.00 0.31 0.00 0.00 61.69 58.91 1ure s THR 41 Cb -0.27 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1ure s THR 41 CO 0.33 -0.93 1.00 -1.58 -0.69 0.00 0.00 174.62 172.74 1ure s GLN 42 N -0.88 4.59 0.00 4.92 0.74 -1.26 0.41 119.66 128.17 1ure s GLN 42 Ca 0.22 1.51 0.00 0.00 0.05 0.00 0.00 55.36 57.13 1ure s GLN 42 Cb -0.14 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1ure s GLN 42 CO -0.09 0.25 0.00 -1.91 -0.55 0.00 0.00 175.29 172.99 1ure n GLU 43 N 0.82 0.00 -2.51 1.67 4.07 -1.11 -4.93 120.64 118.65 1ure n GLU 43 Ca 0.01 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.68 1ure n GLU 43 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1ure n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ure n GLY 44 N 0.04 3.01 2.99 8.31 0.00 -1.26 -4.11 105.19 114.18 1ure n GLY 44 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 7.56 0.00 -3.95 1.61 3.02 -1.26 -5.01 115.26 117.24 1ure n ASN 45 Ca 0.47 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.82 1ure n ASN 45 Cb 0.44 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.00 -0.32 -2.93 3.52 5.02 -1.26 -3.00 118.16 117.20 1ure n LYS 46 Ca 0.00 -2.09 -0.06 0.00 -2.02 0.00 0.00 58.31 54.14 1ure n LYS 46 Cb 0.00 -0.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.79 -1.29 0.26 2.13 0.40 -1.24 -2.75 117.98 112.70 1ure s PHE 47 Ca 0.57 -0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 55.98 1ure s PHE 47 Cb -0.03 0.16 -0.10 0.00 0.51 0.00 0.00 43.02 43.56 1ure s PHE 47 CO 0.39 -1.20 1.35 0.99 0.70 0.00 0.00 175.22 177.45 1ure s THR 48 N 0.97 2.84 -0.45 0.64 2.01 0.17 -3.06 115.64 118.75 1ure s THR 48 Ca 0.27 0.75 0.04 0.00 0.31 0.00 0.00 61.69 63.06 1ure s THR 48 Cb -0.01 -3.48 0.12 0.00 0.01 0.00 0.00 72.50 69.14 1ure s THR 48 CO -0.07 0.14 0.19 0.68 -0.69 0.00 0.00 174.62 174.87 1ure s VAL 49 N -0.38 2.35 0.58 3.82 -7.23 -1.26 0.49 120.40 118.77 1ure s VAL 49 Ca 0.55 -2.89 -0.19 0.00 -1.81 0.00 0.00 61.98 57.64 1ure s VAL 49 Cb -0.40 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1ure s VAL 49 CO 0.45 -0.74 1.16 -0.75 -0.31 0.00 0.00 175.10 174.91 1ure s LYS 50 N 0.20 3.14 -0.40 4.82 2.20 -1.03 -1.34 119.74 127.32 1ure s LYS 50 Ca 0.15 1.69 0.06 0.00 -0.36 0.00 0.00 55.97 57.51 1ure s LYS 50 Cb -0.23 -1.97 0.22 0.00 -1.51 0.00 0.00 37.83 34.34 1ure s LYS 50 CO -0.03 -1.04 0.47 0.39 -0.36 0.00 0.00 175.35 174.78 1ure n GLU 51 N -1.52 0.51 -2.19 4.03 1.02 -1.25 -1.58 120.64 119.67 1ure n GLU 51 Ca 0.12 -3.12 -0.38 0.00 -0.02 0.00 0.00 57.16 53.76 1ure n GLU 51 Cb 0.50 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 1ure n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ure n SER 52 N 1.99 4.02 -4.94 1.62 2.88 -0.79 -3.59 113.62 114.81 1ure n SER 52 Ca 0.24 -2.82 -0.22 0.00 -1.33 0.00 0.00 58.87 54.74 1ure n SER 52 Cb 0.52 -1.68 -0.03 0.00 -0.75 0.00 0.00 64.21 62.27 1ure n SER 52 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ure s SER 53 N 4.84 6.17 0.57 -3.46 1.04 -1.20 -2.53 113.70 119.13 1ure s SER 53 Ca 0.58 0.02 0.28 0.00 0.48 0.00 0.00 55.95 57.30 1ure s SER 53 Cb 0.05 -1.78 1.51 0.00 0.10 0.00 0.00 66.02 65.90 1ure s SER 53 CO 0.08 -0.05 1.97 -1.13 0.98 0.00 0.00 173.24 175.08 1ure h ASN 54 N 1.30 0.00 0.31 7.02 -0.73 0.37 -1.95 115.58 121.90 1ure h ASN 54 Ca -0.51 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.64 1ure h ASN 54 Cb 1.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.82 1ure h ASN 54 CO 0.61 0.00 -0.15 -0.26 -0.37 0.00 0.00 177.43 177.27 1ure h PHE 55 N 0.00 -0.38 -1.64 0.67 -1.00 -1.93 -3.48 116.94 109.17 1ure h PHE 55 Ca 0.20 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.08 1ure h PHE 55 Cb 0.99 0.13 -0.22 0.00 3.61 0.00 0.00 35.95 40.46 1ure h PHE 55 CO 0.00 -0.07 0.59 0.50 -1.61 0.00 0.00 178.31 177.72 1ure s ARG 56 N -3.59 0.57 -1.07 1.51 3.52 -0.73 -5.08 118.95 114.08 1ure s ARG 56 Ca -0.11 0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.34 1ure s ARG 56 Cb 0.01 0.27 0.10 0.00 -1.56 0.00 0.00 34.95 33.77 1ure s ARG 56 CO 0.38 -0.20 1.39 0.54 -0.81 0.00 0.00 175.30 176.60 1ure s ASN 57 N -1.43 6.70 -0.68 -2.12 4.22 -1.25 -3.24 114.94 117.13 1ure s ASN 57 Ca 0.01 -2.07 -0.00 0.00 -2.14 0.00 0.00 52.86 48.66 1ure s ASN 57 Cb -0.01 -2.49 0.17 0.00 1.28 0.00 0.00 41.25 40.21 1ure s ASN 57 CO -0.01 -1.18 0.50 -0.51 -2.04 0.00 0.00 177.10 173.86 1ure s ILE 58 N 3.52 3.55 -0.35 0.54 2.07 -1.24 -4.93 121.20 124.35 1ure s ILE 58 Ca 0.42 -3.44 -0.27 0.00 -1.41 0.00 0.00 60.65 55.95 1ure s ILE 58 Cb -0.01 -3.30 -0.06 0.00 0.13 0.00 0.00 42.46 39.22 1ure s ILE 58 CO -0.05 -0.93 2.27 -1.81 -1.91 0.00 0.00 174.94 172.50 1ure s ASP 59 N -0.01 5.04 -0.00 4.50 1.01 -1.26 -3.79 116.67 122.16 1ure s ASP 59 Ca 0.21 1.48 -0.24 0.00 0.71 0.00 0.00 52.55 54.70 1ure s ASP 59 Cb -0.16 -2.51 -0.16 0.00 1.01 0.00 0.00 42.92 41.10 1ure s ASP 59 CO -0.07 -2.35 1.13 0.58 0.21 0.00 0.00 175.17 174.67 1ure h VAL 60 N 7.35 0.63 -4.03 -1.27 2.07 -1.55 -3.45 116.25 116.00 1ure h VAL 60 Ca -0.33 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ure h VAL 60 Cb 1.25 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1ure h VAL 60 CO 1.05 0.12 -0.97 0.52 0.02 0.00 0.00 177.57 178.32 1ure n VAL 61 N -5.12 -5.69 -3.15 2.57 0.31 -1.26 -4.86 118.33 101.14 1ure n VAL 61 Ca -0.09 2.61 0.04 0.00 -0.01 0.00 0.00 64.34 66.89 1ure n VAL 61 Cb 0.27 -3.51 -0.01 0.00 -0.91 0.00 0.00 33.84 29.68 1ure n VAL 61 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1ure s PHE 62 N -2.86 -1.32 0.18 3.52 5.36 -1.17 -4.92 117.98 116.76 1ure s PHE 62 Ca 0.00 1.35 -0.33 0.00 -0.96 0.00 0.00 56.93 56.99 1ure s PHE 62 Cb 0.00 0.44 -0.13 0.00 -0.34 0.00 0.00 43.02 43.00 1ure s PHE 62 CO 0.00 -0.73 1.68 0.39 -1.46 0.00 0.00 175.22 175.11 1ure n GLU 63 N 5.43 2.53 -1.61 10.12 1.02 -1.26 -3.68 120.64 133.20 1ure n GLU 63 Ca -0.02 0.91 -0.50 0.00 -0.02 0.00 0.00 57.16 57.54 1ure n GLU 63 Cb 0.52 -2.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.15 1ure n GLU 63 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ure n LEU 64 N 3.97 2.00 -0.74 -4.62 4.77 -1.16 -1.18 117.00 120.04 1ure n LEU 64 Ca 0.17 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 57.17 1ure n LEU 64 Cb 0.33 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 1ure n LEU 64 CO 0.64 -0.90 -0.09 0.61 -1.33 0.00 0.00 177.39 176.32 1ure n GLY 65 N 2.60 0.93 0.00 -0.72 0.00 -0.68 -4.92 105.19 102.40 1ure n GLY 65 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ure n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ure n VAL 66 N -2.21 0.00 0.00 1.61 0.31 -0.33 -4.96 118.33 112.75 1ure n VAL 66 Ca -0.10 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1ure n VAL 66 Cb 0.57 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1ure n VAL 66 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ure n ASP 67 N -0.09 0.00 -4.10 4.52 5.75 -1.26 -4.98 116.55 116.40 1ure n ASP 67 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 1ure n ASP 67 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1ure s PHE 68 N 0.00 0.91 0.08 2.11 -0.71 -1.20 -4.99 117.98 114.18 1ure s PHE 68 Ca 0.00 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 1ure s PHE 68 Cb 0.00 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1ure s PHE 68 CO 0.00 -0.01 0.12 0.00 -1.34 0.00 0.00 175.22 173.98 1ure s ALA 69 N -1.09 3.67 -0.26 1.99 0.00 -1.26 -2.31 121.76 122.50 1ure s ALA 69 Ca -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1ure s ALA 69 Cb -0.09 -1.53 0.14 0.00 0.00 0.00 0.00 23.12 21.65 1ure s ALA 69 CO 0.01 0.75 0.39 -0.47 0.00 0.00 0.00 175.76 176.44 1ure s TYR 70 N -1.44 -0.89 -0.04 0.00 5.04 0.17 -4.94 117.35 115.24 1ure s TYR 70 Ca 0.31 0.72 -0.30 0.00 -2.44 0.00 0.00 57.07 55.35 1ure s TYR 70 Cb -0.12 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 1ure s TYR 70 CO 0.24 -0.80 1.04 -1.12 -1.34 0.00 0.00 175.55 173.57 1ure s SER 71 N 2.55 7.26 1.27 4.32 0.01 -1.26 -2.56 113.70 125.29 1ure s SER 71 Ca 0.12 1.66 -0.17 0.00 1.31 0.00 0.00 55.95 58.87 1ure s SER 71 Cb -0.15 -2.56 0.26 0.00 0.21 0.00 0.00 66.02 63.78 1ure s SER 71 CO -0.20 -0.39 0.79 0.18 0.41 0.00 0.00 173.24 174.02 1ure n LEU 72 N 4.50 0.00 -1.16 2.44 7.99 0.40 -4.93 117.00 126.24 1ure n LEU 72 Ca 0.08 -0.82 0.10 0.00 -0.01 0.00 0.00 56.01 55.36 1ure n LEU 72 Cb 0.49 -0.78 0.27 0.00 -0.11 0.00 0.00 43.42 43.29 1ure n LEU 72 CO 0.53 -2.17 0.73 0.00 -1.51 0.00 0.00 177.39 174.97 1ure n ALA 73 N -4.76 2.33 -0.06 -1.18 0.00 -1.26 -4.20 120.51 111.38 1ure n ALA 73 Ca -0.16 -1.25 -0.07 0.00 0.00 0.00 0.00 53.44 51.97 1ure n ALA 73 Cb 0.46 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.97 1ure n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ure n ASP 74 N 1.35 0.25 0.00 0.00 2.03 -1.26 -4.97 116.55 113.95 1ure n ASP 74 Ca 0.21 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1ure n ASP 74 Cb 0.57 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ure n GLY 75 N 1.63 -0.24 3.38 0.27 0.00 -1.26 -4.93 105.19 104.04 1ure n GLY 75 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 1ure n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ure s THR 76 N -0.62 0.87 0.57 2.61 -1.32 -1.26 -4.97 115.64 111.52 1ure s THR 76 Ca 0.00 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.46 1ure s THR 76 Cb 0.00 -2.68 0.03 0.00 -1.51 0.00 0.00 72.50 68.34 1ure s THR 76 CO 0.00 -0.03 0.83 -1.61 -2.21 0.00 0.00 174.62 171.61 1ure s GLU 77 N -3.96 2.62 -0.16 7.08 8.01 -1.26 0.15 118.70 131.17 1ure s GLU 77 Ca 0.37 -0.48 -0.29 0.00 0.01 0.00 0.00 54.97 54.57 1ure s GLU 77 Cb 0.08 -2.39 0.12 0.00 -4.31 0.00 0.00 34.13 27.63 1ure s GLU 77 CO 0.14 -0.75 0.95 -1.17 0.01 0.00 0.00 175.26 174.44 1ure s LEU 78 N -4.88 -0.43 -0.29 1.80 2.96 -1.06 -4.57 118.68 112.22 1ure s LEU 78 Ca 0.56 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.93 1ure s LEU 78 Cb -0.10 1.97 0.15 0.00 0.50 0.00 0.00 46.19 48.70 1ure s LEU 78 CO 0.41 -0.35 0.61 -0.89 -1.32 0.00 0.00 176.35 174.81 1ure s THR 79 N -0.90 -0.97 0.00 3.68 2.01 0.13 0.44 115.64 120.03 1ure s THR 79 Ca -0.02 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1ure s THR 79 Cb -0.01 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1ure s THR 79 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1ure n GLY 80 N 5.44 3.67 3.56 4.40 0.00 -0.98 0.93 105.19 122.21 1ure n GLY 80 Ca -0.08 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.01 0.01 0.06 2.61 -4.23 -0.75 -3.26 115.64 109.08 1ure s THR 81 Ca 0.00 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 1ure s THR 81 Cb 0.00 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1ure s THR 81 CO 0.00 -0.06 -0.23 0.26 -0.54 0.00 0.00 174.62 174.04 1ure s TRP 82 N -3.98 2.02 -0.07 3.99 0.52 -1.26 -1.00 118.94 119.15 1ure s TRP 82 Ca 0.19 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1ure s TRP 82 Cb -0.00 -1.19 0.04 0.00 -1.15 0.00 0.00 33.47 31.17 1ure s TRP 82 CO 0.05 0.13 0.15 -0.08 0.02 0.00 0.00 176.95 177.22 1ure s THR 83 N -0.85 -0.16 -0.37 2.01 -1.32 -1.06 -1.68 115.64 112.21 1ure s THR 83 Ca 0.09 0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1ure s THR 83 Cb -0.09 -0.26 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1ure s THR 83 CO 0.02 0.12 1.07 -0.32 -2.21 0.00 0.00 174.62 173.30 1ure s MET 84 N 1.77 3.95 0.00 7.08 1.75 -1.26 -2.05 119.30 130.54 1ure s MET 84 Ca -0.03 0.87 0.18 0.00 -1.25 0.00 0.00 55.69 55.47 1ure s MET 84 Cb -0.12 -3.79 0.56 0.00 2.84 0.00 0.00 34.83 34.32 1ure s MET 84 CO -0.06 -1.03 1.44 0.39 -0.65 0.00 0.00 175.02 175.11 1ure n GLU 85 N 7.10 1.95 0.00 4.11 -0.58 0.11 -4.96 120.64 128.37 1ure n GLU 85 Ca 0.11 -1.45 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 1ure n GLU 85 Cb 0.48 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1ure n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 86 N 1.21 2.09 0.00 0.62 0.00 -1.26 -4.47 105.19 103.37 1ure n GLY 86 Ca 0.16 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 4.21 0.00 -3.45 1.61 0.23 -1.26 -4.83 115.26 111.78 1ure n ASN 87 Ca 0.00 -0.93 -0.11 0.00 -0.53 0.00 0.00 54.58 53.01 1ure n ASN 87 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1ure n ASN 87 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ure s LYS 88 N -2.00 1.12 -0.17 -3.83 1.02 -1.26 -4.86 119.74 109.77 1ure s LYS 88 Ca 0.32 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.92 1ure s LYS 88 Cb 0.15 0.52 0.02 0.00 -0.52 0.00 0.00 37.83 37.99 1ure s LYS 88 CO 0.25 -0.49 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.82 1ure s LEU 89 N -2.64 2.09 0.28 3.17 0.20 -1.19 0.04 118.68 120.62 1ure s LEU 89 Ca 0.02 -0.62 0.06 0.00 0.69 0.00 0.00 54.13 54.28 1ure s LEU 89 Cb -0.01 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 1ure s LEU 89 CO -0.11 0.02 0.33 0.68 -0.29 0.00 0.00 176.35 176.97 1ure s VAL 90 N 1.18 4.51 -0.33 1.68 -7.23 -0.87 -0.51 120.40 118.83 1ure s VAL 90 Ca 0.02 -1.16 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1ure s VAL 90 Cb -0.14 -3.53 0.13 0.00 0.56 0.00 0.00 36.38 33.40 1ure s VAL 90 CO -0.10 -0.27 0.24 -0.83 -0.31 0.00 0.00 175.10 173.82 1ure s GLY 91 N -3.99 0.39 0.19 2.32 0.00 0.06 -2.55 107.32 103.74 1ure s GLY 91 Ca 0.37 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.96 1ure s GLY 91 CO 0.28 2.32 0.21 0.54 0.00 0.00 0.00 173.10 176.45 1ure s LYS 92 N 1.67 3.10 -0.17 2.90 1.02 -0.17 0.92 119.74 129.01 1ure s LYS 92 Ca 0.14 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 1ure s LYS 92 Cb -0.18 -2.74 0.06 0.00 -0.52 0.00 0.00 37.83 34.46 1ure s LYS 92 CO -0.17 0.47 0.42 -0.06 -0.92 0.00 0.00 175.35 175.09 1ure s PHE 93 N -1.85 -0.63 -0.17 3.18 0.08 0.37 -1.81 117.98 117.16 1ure s PHE 93 Ca 0.33 1.33 -0.05 0.00 0.12 0.00 0.00 56.93 58.66 1ure s PHE 93 Cb -0.10 0.28 -0.03 0.00 -0.57 0.00 0.00 43.02 42.60 1ure s PHE 93 CO 0.26 -0.36 -0.01 0.15 -0.10 0.00 0.00 175.22 175.15 1ure s LYS 94 N 1.53 3.72 0.99 0.44 1.02 0.26 0.00 119.74 127.72 1ure s LYS 94 Ca -0.09 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1ure s LYS 94 Cb -0.09 -3.00 0.19 0.00 -0.52 0.00 0.00 37.83 34.41 1ure s LYS 94 CO -0.13 0.22 1.09 0.50 -0.92 0.00 0.00 175.35 176.10 1ure s ARG 95 N 0.45 0.47 -0.22 1.68 3.52 -1.09 0.17 118.95 123.93 1ure s ARG 95 Ca -0.02 0.64 0.10 0.00 -0.13 0.00 0.00 55.73 56.32 1ure s ARG 95 Cb -0.14 -1.73 -0.21 0.00 -1.56 0.00 0.00 34.95 31.31 1ure s ARG 95 CO 0.02 -2.73 -0.07 0.28 -0.81 0.00 0.00 175.30 171.99 1ure n VAL 96 N -4.19 1.41 0.27 7.11 0.31 -1.26 -3.03 118.33 118.94 1ure n VAL 96 Ca 0.05 -0.70 0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1ure n VAL 96 Cb 0.56 -0.92 0.76 0.00 -0.91 0.00 0.00 33.84 33.33 1ure n VAL 96 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ure h ASP 97 N 0.00 0.00 0.00 4.52 3.32 -1.93 -3.38 116.42 118.95 1ure h ASP 97 Ca -0.55 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 1ure h ASP 97 Cb 2.06 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.57 1ure h ASP 97 CO -0.03 0.09 -0.09 -0.46 -1.72 0.00 0.00 179.24 177.04 1ure n ASN 98 N -3.44 -0.31 -1.36 6.45 2.04 -1.26 -5.03 115.26 112.36 1ure n ASN 98 Ca -0.01 -1.26 -0.15 0.00 -0.44 0.00 0.00 54.58 52.71 1ure n ASN 98 Cb 0.25 0.09 -0.07 0.00 -2.53 0.00 0.00 39.78 37.53 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 1.47 0.83 4.83 0.00 -1.17 -4.97 105.19 106.19 1ure n GLY 99 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 -0.94 -4.20 1.61 4.76 -1.26 -4.72 118.16 111.55 1ure n LYS 100 Ca -0.15 -0.43 -0.19 0.00 -2.87 0.00 0.00 58.31 54.66 1ure n LYS 100 Cb 0.54 -0.34 -0.12 0.00 -1.84 0.00 0.00 35.03 33.27 1ure n LYS 100 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1ure s GLU 101 N -3.60 0.89 0.00 1.97 1.03 -1.26 -2.68 118.70 115.04 1ure s GLU 101 Ca 0.16 -1.01 -0.00 0.00 0.03 0.00 0.00 54.97 54.16 1ure s GLU 101 Cb -0.01 -0.94 -0.00 0.00 -0.80 0.00 0.00 34.13 32.38 1ure s GLU 101 CO 0.12 0.21 0.00 -1.17 -1.33 0.00 0.00 175.26 173.09 1ure s LEU 102 N -1.81 2.01 0.41 1.83 1.98 0.10 -3.52 118.68 119.69 1ure s LEU 102 Ca 0.00 -0.04 0.05 0.00 -2.89 0.00 0.00 54.13 51.24 1ure s LEU 102 Cb -0.10 0.03 -0.02 0.00 0.66 0.00 0.00 46.19 46.76 1ure s LEU 102 CO 0.03 -0.03 0.17 -0.51 -1.89 0.00 0.00 176.35 174.12 1ure s ILE 103 N -0.15 0.40 -0.30 6.68 2.07 0.54 0.14 121.20 130.58 1ure s ILE 103 Ca -0.02 -2.00 -0.07 0.00 -1.41 0.00 0.00 60.65 57.15 1ure s ILE 103 Cb -0.01 -2.31 0.17 0.00 0.13 0.00 0.00 42.46 40.44 1ure s ILE 103 CO -0.00 0.00 0.74 0.00 -1.91 0.00 0.00 174.94 173.77 1ure s ALA 104 N -3.21 -2.48 -0.49 1.50 0.00 0.26 -3.00 121.76 114.34 1ure s ALA 104 Ca 0.25 1.91 -0.15 0.00 0.00 0.00 0.00 51.96 53.97 1ure s ALA 104 Cb 0.01 -2.13 0.10 0.00 0.00 0.00 0.00 23.12 21.10 1ure s ALA 104 CO 0.17 -1.22 0.42 0.08 0.00 0.00 0.00 175.76 175.22 1ure s VAL 105 N 2.83 5.12 -0.88 0.00 1.01 -0.16 -0.76 120.40 127.57 1ure s VAL 105 Ca 0.08 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1ure s VAL 105 Cb -0.12 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1ure s VAL 105 CO -0.18 -0.69 1.54 -0.13 0.00 0.00 0.00 175.10 175.63 1ure s ARG 106 N 1.60 3.19 -1.17 2.72 0.52 0.33 -2.26 118.95 123.88 1ure s ARG 106 Ca 0.04 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.59 1ure s ARG 106 Cb -0.26 -4.88 0.22 0.00 0.52 0.00 0.00 34.95 30.55 1ure s ARG 106 CO 0.05 -2.46 1.32 -1.91 0.02 0.00 0.00 175.30 172.33 1ure n GLU 107 N 9.05 3.51 -1.56 3.54 4.07 0.35 -3.16 120.64 136.44 1ure n GLU 107 Ca 0.25 -4.13 -0.43 0.00 -0.06 0.00 0.00 57.16 52.79 1ure n GLU 107 Cb 0.50 -2.80 -0.04 0.00 -0.06 0.00 0.00 31.44 29.04 1ure n GLU 107 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1ure n ILE 108 N 3.56 0.22 -3.06 6.31 3.06 -1.26 -3.53 119.36 124.66 1ure n ILE 108 Ca 0.31 -0.50 -0.44 0.00 -2.50 0.00 0.00 62.75 59.61 1ure n ILE 108 Cb 0.40 -2.45 0.00 0.00 0.54 0.00 0.00 39.64 38.13 1ure n ILE 108 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1ure n SER 109 N 12.40 5.32 0.00 9.51 7.64 0.24 -4.81 113.62 143.92 1ure n SER 109 Ca 0.34 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1ure n SER 109 Cb 0.43 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1ure n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ure n GLY 110 N 3.64 0.00 0.00 0.23 0.00 -1.26 -1.58 105.19 106.22 1ure n GLY 110 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1ure n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 111 N 0.00 0.56 -4.06 1.61 4.13 -1.26 -4.79 115.26 111.45 1ure n ASN 111 Ca 0.00 -0.93 -0.30 0.00 1.68 0.00 0.00 54.58 55.03 1ure n ASN 111 Cb 0.00 0.07 -0.16 0.00 -1.54 0.00 0.00 39.78 38.14 1ure n ASN 111 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ure s GLU 112 N -0.07 2.45 0.04 3.52 2.02 -0.61 -3.98 118.70 122.07 1ure s GLU 112 Ca 0.00 -0.63 -0.21 0.00 0.02 0.00 0.00 54.97 54.16 1ure s GLU 112 Cb 0.00 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 32.02 1ure s GLU 112 CO 0.00 -0.16 0.61 -1.17 0.02 0.00 0.00 175.26 174.55 1ure s LEU 113 N 1.26 4.48 -0.18 1.80 0.20 0.05 0.83 118.68 127.12 1ure s LEU 113 Ca 0.01 1.25 -0.04 0.00 0.69 0.00 0.00 54.13 56.04 1ure s LEU 113 Cb -0.14 -2.95 0.06 0.00 -0.43 0.00 0.00 46.19 42.73 1ure s LEU 113 CO -0.08 0.18 0.08 -0.63 -0.29 0.00 0.00 176.35 175.61 1ure s ILE 114 N -0.63 0.06 0.39 6.68 1.01 -1.23 0.10 121.20 127.58 1ure s ILE 114 Ca 0.31 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 1ure s ILE 114 Cb -0.19 -0.71 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 1ure s ILE 114 CO 0.19 -0.29 0.96 -1.10 0.00 0.00 0.00 174.94 174.70 1ure s GLN 115 N 2.07 4.35 -0.30 2.79 -0.21 -0.26 -0.50 119.66 127.60 1ure s GLN 115 Ca 0.02 1.25 -0.05 0.00 0.02 0.00 0.00 55.36 56.60 1ure s GLN 115 Cb -0.16 -2.47 0.18 0.00 1.00 0.00 0.00 33.01 31.56 1ure s GLN 115 CO -0.10 0.07 0.72 0.95 -2.12 0.00 0.00 175.29 174.80 1ure s THR 116 N -1.89 -0.84 -0.96 -0.19 -4.23 -0.96 0.77 115.64 107.35 1ure s THR 116 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1ure s THR 116 Cb -0.15 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.69 1ure s THR 116 CO 0.19 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 173.05 1ure n TYR 117 N 5.41 0.00 -3.49 3.99 4.01 -1.05 -0.99 117.16 125.05 1ure n TYR 117 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1ure n TYR 117 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.72 0.00 -0.45 -0.72 5.66 -1.16 -1.64 114.28 117.69 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 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1ure n TYR 119 Cb 0.00 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 1ure n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ure n GLU 120 N -0.16 0.00 -0.64 2.98 2.13 -1.23 -4.39 120.64 119.32 1ure n GLU 120 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1ure n GLU 120 Cb 0.26 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.96 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 0.00 0.84 2.77 8.31 0.00 -1.26 -5.08 105.19 110.76 1ure n GLY 121 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 0.39 0.81 1.61 1.01 -1.26 -5.10 120.40 117.85 1ure s VAL 122 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1ure s VAL 122 Cb 0.01 -0.60 0.14 0.00 0.00 0.00 0.00 36.38 35.93 1ure s VAL 122 CO -0.01 0.20 1.12 -1.61 0.00 0.00 0.00 175.10 174.81 1ure s GLU 123 N 1.96 1.43 -0.30 2.72 8.01 -1.26 -4.13 118.70 127.13 1ure s GLU 123 Ca 0.04 -0.62 -0.09 0.00 0.01 0.00 0.00 54.97 54.31 1ure s GLU 123 Cb -0.13 -2.11 0.17 0.00 -4.31 0.00 0.00 34.13 27.75 1ure s GLU 123 CO -0.06 -1.75 0.81 0.00 0.01 0.00 0.00 175.26 174.27 1ure s ALA 124 N -3.45 -2.58 0.05 5.21 0.00 -0.65 -4.53 121.76 115.82 1ure s ALA 124 Ca 0.67 1.93 -0.17 0.00 0.00 0.00 0.00 51.96 54.39 1ure s ALA 124 Cb -0.06 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1ure s ALA 124 CO 0.48 -1.16 0.51 0.15 0.00 0.00 0.00 175.76 175.74 1ure s LYS 125 N 2.77 4.09 -0.56 0.00 3.01 -1.14 -2.52 119.74 125.38 1ure s LYS 125 Ca 0.04 0.61 0.04 0.00 -1.01 0.00 0.00 55.97 55.65 1ure s LYS 125 Cb -0.11 -3.21 0.16 0.00 -1.01 0.00 0.00 37.83 33.66 1ure s LYS 125 CO -0.18 0.65 0.39 1.03 0.51 0.00 0.00 175.35 177.75 1ure s ARG 126 N -1.16 1.76 -0.61 1.68 3.00 0.23 -0.15 118.95 123.70 1ure s ARG 126 Ca 0.28 -2.70 -0.27 0.00 0.00 0.00 0.00 55.73 53.03 1ure s ARG 126 Cb -0.18 -2.63 0.00 0.00 0.00 0.00 0.00 34.95 32.14 1ure s ARG 126 CO 0.17 -1.28 1.56 0.42 0.00 0.00 0.00 175.30 176.17 1ure s ILE 127 N -0.62 3.60 -0.16 1.52 -1.09 -0.23 -1.10 121.20 123.12 1ure s ILE 127 Ca 0.25 0.43 -0.16 0.00 -2.23 0.00 0.00 60.65 58.94 1ure s ILE 127 Cb -0.07 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1ure s ILE 127 CO -0.14 -1.21 0.38 -0.36 -1.23 0.00 0.00 174.94 172.38 1ure s PHE 128 N 7.11 3.46 -2.45 3.97 0.40 0.29 -1.80 117.98 128.96 1ure s PHE 128 Ca 0.55 0.70 0.23 0.00 -0.60 0.00 0.00 56.93 57.81 1ure s PHE 128 Cb -0.11 -2.46 0.67 0.00 0.51 0.00 0.00 43.02 41.63 1ure s PHE 128 CO 0.21 0.16 1.52 1.63 0.70 0.00 0.00 175.22 179.44 1ure n LYS 129 N 3.82 1.96 -2.06 0.44 5.02 -1.25 -0.77 118.16 125.32 1ure n LYS 129 Ca -0.09 -1.43 -0.03 0.00 -2.02 0.00 0.00 58.31 54.74 1ure n LYS 129 Cb 0.52 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.67 -2.39 -0.15 1.97 4.81 -1.26 -4.71 118.16 117.12 1ure n LYS 130 Ca 0.17 2.04 0.00 0.00 -0.87 0.00 0.00 58.31 59.65 1ure n LYS 130 Cb 0.43 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.37 1ure n LYS 130 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66