#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 -1.76 -3.22 0.00 3.01 -1.26 -4.96 117.46 109.27 1ure n PHE 2 Ca 0.00 0.61 -0.00 0.00 1.01 0.00 0.00 57.45 59.07 1ure n PHE 2 Cb 0.00 -3.65 -0.02 0.00 -0.01 0.00 0.00 39.48 35.81 1ure n PHE 2 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1ure s ASP 3 N -3.99 -1.30 0.00 4.37 2.15 -1.26 -4.43 116.67 112.21 1ure s ASP 3 Ca 0.20 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1ure s ASP 3 Cb -0.08 1.84 0.00 0.00 -0.30 0.00 0.00 42.92 44.39 1ure s ASP 3 CO 0.87 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 176.30 1ure n GLY 4 N 4.45 2.03 3.68 2.66 0.00 -0.48 -5.03 105.19 112.50 1ure n GLY 4 Ca 0.11 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 1ure n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ure n THR 5 N -1.90 3.72 -3.38 2.61 5.66 -1.07 -3.44 114.28 116.48 1ure n THR 5 Ca 0.00 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.41 1ure n THR 5 Cb 0.00 -1.29 -0.08 0.00 -1.55 0.00 0.00 70.33 67.41 1ure n THR 5 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ure s TRP 6 N -1.65 -0.31 -0.54 1.09 0.52 0.32 -0.67 118.94 117.70 1ure s TRP 6 Ca 0.78 -0.65 -0.16 0.00 0.02 0.00 0.00 56.10 56.09 1ure s TRP 6 Cb -0.36 -0.44 0.13 0.00 -1.15 0.00 0.00 33.47 31.65 1ure s TRP 6 CO 0.46 -0.95 0.51 0.21 0.02 0.00 0.00 176.95 177.19 1ure s LYS 7 N 1.71 2.99 0.09 4.98 2.20 -1.26 -0.66 119.74 129.79 1ure s LYS 7 Ca 0.15 -1.68 -0.36 0.00 -0.36 0.00 0.00 55.97 53.71 1ure s LYS 7 Cb -0.15 -4.29 -0.17 0.00 -1.51 0.00 0.00 37.83 31.70 1ure s LYS 7 CO -0.12 -1.33 1.18 1.55 -0.36 0.00 0.00 175.35 176.26 1ure n VAL 8 N 5.26 0.36 0.00 4.02 3.14 -1.14 -3.70 118.33 126.28 1ure n VAL 8 Ca -0.14 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1ure n VAL 8 Cb 0.40 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.61 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 2.09 1.32 -0.00 6.55 -0.08 -0.47 -4.79 116.55 121.16 1ure n ASP 9 Ca 0.18 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1ure n ASP 9 Cb 0.18 0.02 -0.00 0.00 2.34 0.00 0.00 41.12 43.66 1ure n ASP 9 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1ure h ARG 10 N 0.00 0.00 -1.65 -0.67 2.47 -1.82 -3.50 114.38 109.21 1ure h ARG 10 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ure h ARG 10 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1ure h ARG 10 CO 0.00 0.00 -0.42 -1.71 0.56 0.00 0.00 179.97 178.40 1ure n ASN 11 N -2.12 -3.95 -3.62 7.04 2.85 -1.26 -4.90 115.26 109.30 1ure n ASN 11 Ca -0.00 0.74 -0.16 0.00 -0.11 0.00 0.00 54.58 55.06 1ure n ASN 11 Cb 0.00 -1.66 -0.07 0.00 1.24 0.00 0.00 39.78 39.29 1ure n ASN 11 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ure s GLU 12 N -4.73 0.87 -0.58 1.20 -6.30 0.21 -4.81 118.70 104.56 1ure s GLU 12 Ca 0.00 0.30 0.00 0.00 -2.50 0.00 0.00 54.97 52.77 1ure s GLU 12 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 34.13 34.54 1ure s GLU 12 CO 0.00 -0.23 0.00 -1.71 0.02 0.00 0.00 175.26 173.34 1ure n ASN 13 N 1.48 -2.26 0.08 -1.70 5.15 -1.26 0.16 115.26 116.91 1ure n ASN 13 Ca -0.18 0.29 -0.14 0.00 -0.60 0.00 0.00 54.58 53.94 1ure n ASN 13 Cb 0.56 -2.09 -0.14 0.00 -0.53 0.00 0.00 39.78 37.58 1ure n ASN 13 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1ure h TYR 14 N 0.00 0.38 -0.20 1.20 -0.00 -1.80 -3.25 116.97 113.30 1ure h TYR 14 Ca -0.15 -0.28 -0.21 0.00 0.00 0.00 0.00 58.73 58.10 1ure h TYR 14 Cb 0.91 -0.02 0.01 0.00 0.00 0.00 0.00 36.73 37.63 1ure h TYR 14 CO 0.62 1.25 -0.71 1.05 -0.00 0.00 0.00 178.16 180.37 1ure h GLU 15 N 0.06 0.83 -0.23 0.10 4.11 -1.92 -3.19 114.58 114.34 1ure h GLU 15 Ca -0.15 -0.62 -0.11 0.00 0.07 0.00 0.00 59.36 58.55 1ure h GLU 15 Cb 1.95 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 1ure h GLU 15 CO 0.18 1.24 -0.34 -0.22 0.07 0.00 0.00 179.01 179.93 1ure h LYS 16 N 0.59 0.48 0.00 1.06 3.64 -1.92 -2.67 116.57 117.75 1ure h LYS 16 Ca -0.03 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1ure h LYS 16 Cb 1.33 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1ure h LYS 16 CO 0.15 0.76 -0.35 0.35 -2.27 0.00 0.00 179.45 178.10 1ure h PHE 17 N 0.41 0.00 0.01 1.91 3.57 -1.58 0.27 116.94 121.53 1ure h PHE 17 Ca 0.05 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.35 1ure h PHE 17 Cb 0.80 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1ure h PHE 17 CO 0.03 0.35 -0.91 0.52 -2.23 0.00 0.00 178.31 176.07 1ure h MET 18 N 0.00 0.08 0.00 1.11 2.86 -1.50 -0.98 114.93 116.50 1ure h MET 18 Ca -0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ure h MET 18 Cb 0.69 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1ure h MET 18 CO 0.04 0.93 -0.06 1.49 1.06 0.00 0.00 176.91 180.37 1ure h GLU 19 N 0.04 0.00 0.15 1.72 4.81 -1.01 0.26 114.58 120.55 1ure h GLU 19 Ca -0.03 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 1ure h GLU 19 Cb 1.57 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.98 1ure h GLU 19 CO 0.13 0.06 -1.30 -0.22 -0.73 0.00 0.00 179.01 176.95 1ure h LYS 20 N 0.00 0.61 0.00 1.92 1.63 -0.74 -3.20 116.57 116.80 1ure h LYS 20 Ca -0.00 -0.86 -0.01 0.00 -0.85 0.00 0.00 60.65 58.93 1ure h LYS 20 Cb 0.94 0.29 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1ure h LYS 20 CO 0.01 1.40 -0.06 0.52 -3.45 0.00 0.00 179.45 177.87 1ure h MET 21 N 0.25 0.00 -0.17 1.90 2.86 -1.12 -3.47 114.93 115.19 1ure h MET 21 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1ure h MET 21 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.64 1ure h MET 21 CO 0.25 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.69 1ure n GLY 22 N 0.36 0.66 4.00 8.32 0.00 -0.97 -4.96 105.19 112.59 1ure n GLY 22 Ca 0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.50 2.22 0.48 -0.61 -1.09 0.86 -4.95 121.20 116.61 1ure s ILE 23 Ca 0.00 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1ure s ILE 23 Cb 0.00 -2.54 0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1ure s ILE 23 CO 0.00 0.00 0.23 0.59 -1.23 0.00 0.00 174.94 174.53 1ure n ASN 24 N -2.66 2.81 -0.07 3.58 3.02 -1.26 -4.77 115.26 115.92 1ure n ASN 24 Ca 0.14 -2.79 -0.07 0.00 -0.03 0.00 0.00 54.58 51.83 1ure n ASN 24 Cb 0.61 0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.86 1ure n ASN 24 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ure h VAL 25 N 0.86 0.81 -0.09 2.41 -1.51 -2.00 -1.80 116.25 114.93 1ure h VAL 25 Ca -0.33 -0.03 -0.19 0.00 -1.23 0.00 0.00 66.70 64.92 1ure h VAL 25 Cb 1.13 0.72 0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1ure h VAL 25 CO 0.54 0.02 -0.69 -0.37 -1.23 0.00 0.00 177.57 175.83 1ure h VAL 26 N 0.08 1.33 -0.27 7.19 -1.51 -1.98 -2.90 116.25 118.19 1ure h VAL 26 Ca 0.13 -1.97 -0.08 0.00 -1.23 0.00 0.00 66.70 63.55 1ure h VAL 26 Cb 0.16 2.20 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1ure h VAL 26 CO -0.21 0.60 -0.17 0.11 -1.23 0.00 0.00 177.57 176.67 1ure h LYS 27 N 0.28 0.49 0.00 5.19 1.57 -1.95 0.37 116.57 122.51 1ure h LYS 27 Ca -0.06 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.41 1ure h LYS 27 Cb 1.34 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1ure h LYS 27 CO 0.14 0.64 -0.75 0.07 -0.57 0.00 0.00 179.45 178.98 1ure h ARG 28 N 0.44 0.00 0.13 3.15 0.11 -1.43 0.14 114.38 116.92 1ure h ARG 28 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 1ure h ARG 28 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1ure h ARG 28 CO 0.04 0.75 -0.06 -0.22 0.10 0.00 0.00 179.97 180.58 1ure h LYS 29 N 0.00 -0.17 0.00 0.08 3.11 -1.23 0.99 116.57 119.34 1ure h LYS 29 Ca -0.01 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.73 1ure h LYS 29 Cb 1.58 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.83 1ure h LYS 29 CO 0.10 0.28 -0.56 -0.07 -2.81 0.00 0.00 179.45 176.38 1ure h LEU 30 N -0.73 0.00 -0.90 5.20 3.38 -0.38 -2.86 115.31 119.03 1ure h LEU 30 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1ure h LEU 30 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ure h LEU 30 CO 0.03 0.56 -0.50 1.23 0.09 0.00 0.00 178.44 179.85 1ure h GLY 31 N 1.96 0.13 1.03 0.83 0.00 -0.69 0.06 103.07 106.40 1ure h GLY 31 Ca -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1ure h GLY 31 CO 0.07 0.13 -0.58 0.00 0.00 0.00 0.00 176.54 176.16 1ure h ALA 32 N 1.39 0.30 -0.63 3.60 0.00 -0.57 -3.19 119.26 120.17 1ure h ALA 32 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ure h ALA 32 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ure h ALA 32 CO 0.07 0.54 0.00 1.58 0.00 0.00 0.00 179.25 181.44 1ure n HIS 33 N -4.10 1.42 -0.41 0.00 -0.00 -1.14 -4.72 115.22 106.26 1ure n HIS 33 Ca -0.07 -0.62 0.39 0.00 -0.00 0.00 0.00 57.72 57.42 1ure n HIS 33 Cb 0.64 -0.23 0.63 0.00 -0.00 0.00 0.00 29.99 31.03 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 3.93 0.00 -1.66 0.26 3.04 -0.96 -3.44 116.42 117.59 1ure h ASP 34 Ca 0.00 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.67 1ure h ASP 34 Cb 1.42 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.73 1ure h ASP 34 CO 0.22 0.00 -0.17 0.59 -2.04 0.00 0.00 179.24 177.83 1ure n ASN 35 N -3.60 -2.85 -4.76 4.15 3.02 -1.26 -0.93 115.26 109.03 1ure n ASN 35 Ca 0.31 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1ure n ASN 35 Cb 1.68 -1.77 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1ure n ASN 35 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ure n LEU 36 N -1.34 4.53 -3.58 3.41 0.00 -1.26 -4.36 117.00 114.39 1ure n LEU 36 Ca -0.03 1.19 -0.29 0.00 0.00 0.00 0.00 56.01 56.88 1ure n LEU 36 Cb 0.53 -1.60 -0.12 0.00 0.00 0.00 0.00 43.42 42.23 1ure n LEU 36 CO 0.14 0.12 -0.27 -0.75 0.00 0.00 0.00 177.39 176.62 1ure s LYS 37 N -1.42 1.03 0.21 1.96 2.20 -1.09 -2.87 119.74 119.77 1ure s LYS 37 Ca 0.58 -1.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.03 1ure s LYS 37 Cb -0.49 -1.88 -0.08 0.00 -1.51 0.00 0.00 37.83 33.86 1ure s LYS 37 CO 0.57 -1.22 1.21 -0.51 -0.36 0.00 0.00 175.35 175.04 1ure s LEU 38 N 0.46 4.46 -0.02 5.43 1.02 0.17 -3.13 118.68 127.06 1ure s LEU 38 Ca 0.21 2.29 0.19 0.00 0.02 0.00 0.00 54.13 56.84 1ure s LEU 38 Cb -0.18 -3.61 -0.29 0.00 0.02 0.00 0.00 46.19 42.13 1ure s LEU 38 CO -0.04 -0.37 0.47 0.41 0.02 0.00 0.00 176.35 176.84 1ure n THR 39 N 2.25 0.00 -1.71 5.49 -1.04 -1.22 0.12 114.28 118.17 1ure n THR 39 Ca 0.04 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1ure n THR 39 Cb 0.44 0.19 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1ure n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ure n ILE 40 N -2.07 -0.68 -4.03 12.58 2.08 -1.22 -2.23 119.36 123.79 1ure n ILE 40 Ca -0.03 0.17 -0.33 0.00 0.56 0.00 0.00 62.75 63.13 1ure n ILE 40 Cb 0.47 -1.12 -0.15 0.00 -0.75 0.00 0.00 39.64 38.10 1ure n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1ure s THR 41 N -0.03 2.37 -1.04 1.39 2.01 -0.90 -1.39 115.64 118.05 1ure s THR 41 Ca 0.00 -1.58 -0.06 0.00 0.31 0.00 0.00 61.69 60.36 1ure s THR 41 Cb 0.00 -2.39 0.27 0.00 0.01 0.00 0.00 72.50 70.39 1ure s THR 41 CO 0.00 -0.05 1.09 1.67 -0.69 0.00 0.00 174.62 176.64 1ure n GLN 42 N 4.48 3.47 -0.11 4.92 -0.06 -1.26 -1.79 117.38 127.02 1ure n GLN 42 Ca -0.14 -4.49 -0.10 0.00 -2.00 0.00 0.00 57.00 50.27 1ure n GLN 42 Cb 0.42 -2.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.08 1ure n GLN 42 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1ure h GLU 43 N 6.15 0.55 0.00 3.69 4.81 -1.94 -3.45 114.58 124.39 1ure h GLU 43 Ca 0.18 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ure h GLU 43 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ure h GLU 43 CO 1.03 0.65 0.00 0.41 -0.73 0.00 0.00 179.01 180.37 1ure n GLY 44 N -0.44 -1.58 1.85 1.92 0.00 -1.26 -4.92 105.19 100.74 1ure n GLY 44 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1ure n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ure n ASN 45 N 0.00 0.00 -4.71 1.61 3.02 -1.26 -4.99 115.26 108.93 1ure n ASN 45 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1ure n ASN 45 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1ure n ASN 45 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ure s LYS 46 N 0.00 4.28 -0.45 3.52 2.20 -1.26 -1.68 119.74 126.34 1ure s LYS 46 Ca 0.00 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.90 1ure s LYS 46 Cb 0.00 -3.46 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 1ure s LYS 46 CO 0.00 0.11 0.25 -0.06 -0.36 0.00 0.00 175.35 175.29 1ure s PHE 47 N 0.81 3.55 -0.56 4.03 0.08 -1.23 -2.88 117.98 121.79 1ure s PHE 47 Ca 0.22 -2.52 -0.19 0.00 0.12 0.00 0.00 56.93 54.56 1ure s PHE 47 Cb -0.15 -3.20 0.08 0.00 -0.57 0.00 0.00 43.02 39.19 1ure s PHE 47 CO 0.08 -0.94 0.70 -0.08 -0.10 0.00 0.00 175.22 174.89 1ure s THR 48 N 0.85 4.78 -0.58 0.64 -1.32 -0.74 -0.81 115.64 118.47 1ure s THR 48 Ca 0.10 -0.70 -0.25 0.00 -1.21 0.00 0.00 61.69 59.63 1ure s THR 48 Cb -0.22 -4.43 0.04 0.00 -1.51 0.00 0.00 72.50 66.38 1ure s THR 48 CO -0.04 -1.03 1.01 0.54 -2.21 0.00 0.00 174.62 172.89 1ure s VAL 49 N 2.83 4.27 0.82 5.08 0.11 -0.39 -2.13 120.40 130.99 1ure s VAL 49 Ca 0.14 0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 59.43 1ure s VAL 49 Cb -0.21 -4.61 0.09 0.00 -1.53 0.00 0.00 36.38 30.11 1ure s VAL 49 CO 0.09 -1.23 1.14 -0.75 -3.33 0.00 0.00 175.10 171.02 1ure s LYS 50 N 4.26 1.73 -0.36 1.54 2.20 -1.26 -0.06 119.74 127.78 1ure s LYS 50 Ca 0.32 1.47 0.14 0.00 -0.36 0.00 0.00 55.97 57.55 1ure s LYS 50 Cb -0.12 -1.81 0.41 0.00 -1.51 0.00 0.00 37.83 34.79 1ure s LYS 50 CO 0.19 -2.09 0.95 -1.91 -0.36 0.00 0.00 175.35 172.13 1ure n GLU 51 N -3.59 1.08 -2.12 4.03 2.13 -1.25 -3.40 120.64 117.53 1ure n GLU 51 Ca 0.11 -3.00 -0.30 0.00 0.66 0.00 0.00 57.16 54.63 1ure n GLU 51 Cb 0.52 -1.22 -0.05 0.00 0.27 0.00 0.00 31.44 30.96 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 -2.51 5.23 0.00 4.31 0.01 -1.18 -4.06 113.70 115.49 1ure s SER 52 Ca 0.30 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1ure s SER 52 Cb 0.40 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1ure s SER 52 CO -0.02 -2.84 0.00 -1.20 0.41 0.00 0.00 173.24 169.59 1ure n SER 53 N 13.70 0.00 -0.17 2.44 7.64 -1.26 -2.65 113.62 133.31 1ure n SER 53 Ca 0.45 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.44 1ure n SER 53 Cb 0.47 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 1.07 0.00 6.43 5.15 -0.10 -4.63 115.26 123.18 1ure n ASN 54 Ca 0.00 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.12 1ure n ASN 54 Cb 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1ure n ASN 54 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ure n PHE 55 N -0.95 0.00 -3.70 1.20 3.72 -1.26 -5.08 117.46 111.39 1ure n PHE 55 Ca 0.08 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 1ure n PHE 55 Cb 0.36 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.77 1ure n PHE 55 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ure s ARG 56 N -0.83 0.66 -1.19 -1.08 0.52 -1.26 -5.06 118.95 110.71 1ure s ARG 56 Ca 0.00 0.34 -0.09 0.00 -0.52 0.00 0.00 55.73 55.46 1ure s ARG 56 Cb 0.00 0.31 0.22 0.00 0.52 0.00 0.00 34.95 36.00 1ure s ARG 56 CO 0.00 -0.14 1.52 0.27 0.02 0.00 0.00 175.30 176.97 1ure n ASN 57 N 2.08 5.49 -4.52 0.23 0.23 -1.26 -4.25 115.26 113.27 1ure n ASN 57 Ca -0.17 -3.12 -0.41 0.00 -0.53 0.00 0.00 54.58 50.35 1ure n ASN 57 Cb 0.57 -1.44 -0.10 0.00 -2.08 0.00 0.00 39.78 36.72 1ure n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1ure s ILE 58 N -0.24 5.26 -0.05 1.53 2.07 -1.26 -4.89 121.20 123.62 1ure s ILE 58 Ca 0.37 -0.27 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 1ure s ILE 58 Cb 0.01 -3.77 -0.07 0.00 0.13 0.00 0.00 42.46 38.76 1ure s ILE 58 CO 0.01 -0.08 1.93 -1.81 -1.91 0.00 0.00 174.94 173.08 1ure s ASP 59 N 1.72 6.29 -1.12 4.50 1.01 -1.26 -3.80 116.67 124.02 1ure s ASP 59 Ca 0.07 2.36 -0.08 0.00 0.71 0.00 0.00 52.55 55.61 1ure s ASP 59 Cb -0.18 -2.53 0.28 0.00 1.01 0.00 0.00 42.92 41.51 1ure s ASP 59 CO 0.11 -1.22 1.25 0.52 0.21 0.00 0.00 175.17 176.04 1ure n VAL 60 N 6.02 4.78 -2.31 -1.27 0.31 0.91 -4.83 118.33 121.93 1ure n VAL 60 Ca 0.21 -5.50 -0.41 0.00 -0.01 0.00 0.00 64.34 58.64 1ure n VAL 60 Cb 0.42 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 30.89 1ure n VAL 60 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ure s VAL 61 N -1.57 3.23 -0.38 2.52 -7.23 -1.26 -1.26 120.40 114.46 1ure s VAL 61 Ca 0.32 1.17 0.06 0.00 -1.81 0.00 0.00 61.98 61.71 1ure s VAL 61 Cb -0.05 -3.74 0.17 0.00 0.56 0.00 0.00 36.38 33.32 1ure s VAL 61 CO -0.02 0.25 0.54 0.72 -0.31 0.00 0.00 175.10 176.28 1ure s PHE 62 N -0.81 -1.33 0.43 2.82 -0.12 0.01 -4.94 117.98 114.04 1ure s PHE 62 Ca 0.49 0.10 -0.26 0.00 -0.05 0.00 0.00 56.93 57.21 1ure s PHE 62 Cb -0.35 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.04 1ure s PHE 62 CO 0.44 -1.10 1.33 -1.91 -0.05 0.00 0.00 175.22 173.93 1ure n GLU 63 N 4.58 2.08 -1.93 1.99 2.13 -1.26 -3.50 120.64 124.72 1ure n GLU 63 Ca 0.09 0.74 -0.42 0.00 0.66 0.00 0.00 57.16 58.23 1ure n GLU 63 Cb 0.53 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 1ure n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ure s LEU 64 N -1.99 4.36 0.00 4.31 1.43 -0.68 -2.71 118.68 123.40 1ure s LEU 64 Ca 0.60 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1ure s LEU 64 Cb -0.49 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1ure s LEU 64 CO 0.58 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1ure n GLY 65 N 4.10 0.38 0.00 -3.19 0.00 -0.03 -4.99 105.19 101.46 1ure n GLY 65 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.74 0.00 0.00 1.61 0.31 -1.10 -5.01 118.33 111.40 1ure n VAL 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ure n VAL 66 Cb 0.12 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1ure n VAL 66 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ure n ASP 67 N 0.00 0.00 -3.63 4.52 2.03 -1.26 -4.94 116.55 113.27 1ure n ASP 67 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1ure n ASP 67 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1ure n ASP 67 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1ure s PHE 68 N -1.59 -0.28 -0.19 -0.67 -0.71 -1.22 -4.96 117.98 108.37 1ure s PHE 68 Ca 0.00 0.03 -0.02 0.00 -1.04 0.00 0.00 56.93 55.89 1ure s PHE 68 Cb 0.00 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1ure s PHE 68 CO 0.00 -0.79 -0.09 0.00 -1.34 0.00 0.00 175.22 173.00 1ure s ALA 69 N -3.39 2.69 -0.17 1.99 0.00 -1.26 -2.92 121.76 118.70 1ure s ALA 69 Ca 0.08 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1ure s ALA 69 Cb -0.02 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1ure s ALA 69 CO -0.03 -0.23 -0.14 -0.47 0.00 0.00 0.00 175.76 174.89 1ure s TYR 70 N 1.14 2.35 -0.10 0.00 5.04 0.16 -4.96 117.35 120.97 1ure s TYR 70 Ca 0.01 -1.41 -0.28 0.00 -2.44 0.00 0.00 57.07 52.95 1ure s TYR 70 Cb -0.14 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.49 1ure s TYR 70 CO -0.02 -0.71 0.94 -1.54 -1.34 0.00 0.00 175.55 172.87 1ure s SER 71 N 1.43 7.19 1.00 4.32 1.04 -1.26 -2.41 113.70 125.01 1ure s SER 71 Ca 0.03 1.46 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 1ure s SER 71 Cb -0.14 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.49 1ure s SER 71 CO -0.10 -0.38 0.18 0.18 0.98 0.00 0.00 173.24 174.10 1ure n LEU 72 N 4.75 0.00 -0.86 2.42 7.99 -1.26 -4.90 117.00 125.13 1ure n LEU 72 Ca 0.07 -0.20 0.03 0.00 -0.01 0.00 0.00 56.01 55.89 1ure n LEU 72 Cb 0.49 -0.14 0.21 0.00 -0.11 0.00 0.00 43.42 43.87 1ure n LEU 72 CO 0.51 -0.70 0.65 0.00 -1.51 0.00 0.00 177.39 176.33 1ure n ALA 73 N -3.14 3.55 0.00 -1.18 0.00 -1.26 -4.31 120.51 114.17 1ure n ALA 73 Ca -0.03 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1ure n ALA 73 Cb 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1ure n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ure n ASP 74 N -0.99 0.00 0.00 0.00 5.75 -1.26 -4.97 116.55 115.08 1ure n ASP 74 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1ure n ASP 74 Cb 0.90 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 1ure n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ure n GLY 75 N -0.34 0.71 0.80 6.12 0.00 -1.26 -5.06 105.19 106.17 1ure n GLY 75 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ure n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ure n THR 76 N -0.76 0.00 -0.63 2.61 -1.04 -1.26 -4.93 114.28 108.26 1ure n THR 76 Ca 0.00 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1ure n THR 76 Cb 0.00 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1ure n THR 76 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ure n GLU 77 N -3.43 -0.02 -3.67 -2.82 1.02 -1.26 -4.55 120.64 105.91 1ure n GLU 77 Ca -0.02 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1ure n GLU 77 Cb 0.37 -0.16 -0.13 0.00 -0.02 0.00 0.00 31.44 31.50 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 -0.20 0.12 -4.62 2.96 -1.01 -4.09 118.68 111.84 1ure s LEU 78 Ca 0.00 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1ure s LEU 78 Cb 0.00 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 1ure s LEU 78 CO 0.00 -0.23 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.77 1ure s THR 79 N 2.28 1.33 -2.51 3.68 2.01 -1.06 0.38 115.64 121.75 1ure s THR 79 Ca 0.00 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.28 1ure s THR 79 Cb -0.12 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1ure s THR 79 CO -0.08 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1ure n GLY 80 N 0.53 -0.54 3.41 4.40 0.00 -1.15 0.14 105.19 111.98 1ure n GLY 80 Ca -0.15 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.09 0.03 -0.03 2.61 -4.23 -0.33 -3.38 115.64 107.22 1ure s THR 81 Ca 0.00 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1ure s THR 81 Cb 0.00 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1ure s THR 81 CO 0.00 -0.14 -0.23 0.26 -0.54 0.00 0.00 174.62 173.97 1ure s TRP 82 N -4.01 2.18 -0.01 3.99 0.52 -1.26 -0.38 118.94 119.97 1ure s TRP 82 Ca 0.22 -0.51 -0.01 0.00 0.02 0.00 0.00 56.10 55.83 1ure s TRP 82 Cb 0.02 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.93 1ure s TRP 82 CO 0.05 -0.10 0.03 -0.08 0.02 0.00 0.00 176.95 176.87 1ure s THR 83 N -0.38 0.01 0.03 2.01 -1.32 0.17 -0.85 115.64 115.30 1ure s THR 83 Ca 0.04 -0.07 -0.24 0.00 -1.21 0.00 0.00 61.69 60.20 1ure s THR 83 Cb -0.11 -0.08 -0.05 0.00 -1.51 0.00 0.00 72.50 70.75 1ure s THR 83 CO 0.01 -0.04 0.75 -0.32 -2.21 0.00 0.00 174.62 172.81 1ure s MET 84 N -0.11 4.47 -0.18 7.08 1.75 -1.26 -0.32 119.30 130.73 1ure s MET 84 Ca -0.01 1.02 0.16 0.00 -1.25 0.00 0.00 55.69 55.60 1ure s MET 84 Cb -0.01 -3.37 0.65 0.00 2.84 0.00 0.00 34.83 34.94 1ure s MET 84 CO 0.00 0.25 1.56 0.39 -0.65 0.00 0.00 175.02 176.58 1ure n GLU 85 N 2.95 3.77 0.00 4.11 -0.58 -0.47 -4.94 120.64 125.48 1ure n GLU 85 Ca -0.02 -2.92 0.00 0.00 -0.42 0.00 0.00 57.16 53.80 1ure n GLU 85 Cb 0.50 -1.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.21 2.17 0.21 0.62 0.00 -1.26 -4.43 105.19 102.70 1ure n GLY 86 Ca 0.24 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 3.59 1.37 -3.64 1.61 3.02 -1.26 -4.97 115.26 114.98 1ure n ASN 87 Ca 0.00 -1.18 -0.07 0.00 -0.03 0.00 0.00 54.58 53.29 1ure n ASN 87 Cb 0.00 0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.61 0.65 -0.13 3.52 1.02 -1.26 -4.87 119.74 116.06 1ure s LYS 88 Ca 0.12 1.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.86 1ure s LYS 88 Cb 0.16 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1ure s LYS 88 CO 0.68 -0.12 1.22 -1.17 -0.92 0.00 0.00 175.35 175.04 1ure s LEU 89 N 1.31 4.21 -0.07 3.17 0.20 -1.15 -1.37 118.68 124.98 1ure s LEU 89 Ca -0.08 1.71 0.04 0.00 0.69 0.00 0.00 54.13 56.49 1ure s LEU 89 Cb -0.05 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.15 1ure s LEU 89 CO -0.15 -0.69 -0.18 0.68 -0.29 0.00 0.00 176.35 175.72 1ure s VAL 90 N 3.01 2.64 -0.22 1.68 -7.23 0.56 -0.67 120.40 120.18 1ure s VAL 90 Ca 0.54 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 1ure s VAL 90 Cb -0.22 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1ure s VAL 90 CO 0.17 0.57 -0.10 -0.83 -0.31 0.00 0.00 175.10 174.60 1ure s GLY 91 N -0.27 1.55 0.06 2.32 0.00 0.94 0.45 107.32 112.37 1ure s GLY 91 Ca 0.01 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.50 1ure s GLY 91 CO 0.03 0.41 -0.09 0.54 0.00 0.00 0.00 173.10 173.99 1ure s LYS 92 N 1.37 2.30 -0.15 2.90 1.02 0.49 0.10 119.74 127.78 1ure s LYS 92 Ca 0.04 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 1ure s LYS 92 Cb -0.15 -2.38 0.07 0.00 -0.52 0.00 0.00 37.83 34.86 1ure s LYS 92 CO -0.07 0.55 0.24 -0.06 -0.92 0.00 0.00 175.35 175.10 1ure s PHE 93 N -1.11 -0.37 0.09 3.18 0.08 0.15 -1.18 117.98 118.82 1ure s PHE 93 Ca 0.19 0.70 -0.01 0.00 0.12 0.00 0.00 56.93 57.94 1ure s PHE 93 Cb -0.11 -0.16 0.02 0.00 -0.57 0.00 0.00 43.02 42.20 1ure s PHE 93 CO 0.11 -0.44 0.13 1.63 -0.10 0.00 0.00 175.22 176.55 1ure n LYS 94 N 5.34 0.32 -3.73 0.44 5.02 0.36 0.13 118.16 126.04 1ure n LYS 94 Ca -0.06 -0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 55.83 1ure n LYS 94 Cb 0.50 -0.10 -0.11 0.00 -0.02 0.00 0.00 35.03 35.29 1ure n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ure s ARG 95 N -2.89 0.34 0.31 1.97 3.52 -1.26 -2.56 118.95 118.38 1ure s ARG 95 Ca 0.08 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1ure s ARG 95 Cb -0.00 0.05 0.54 0.00 -1.56 0.00 0.00 34.95 33.98 1ure s ARG 95 CO 0.05 -0.11 1.92 -0.39 -0.81 0.00 0.00 175.30 175.97 1ure h VAL 96 N 5.20 1.08 0.00 7.11 -1.51 -1.94 0.64 116.25 126.82 1ure h VAL 96 Ca -0.33 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1ure h VAL 96 Cb 1.18 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1ure h VAL 96 CO 0.32 0.18 0.00 0.47 -1.23 0.00 0.00 177.57 177.31 1ure n ASP 97 N -4.48 0.00 0.00 4.19 8.00 -1.26 -4.27 116.55 118.73 1ure n ASP 97 Ca 0.13 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1ure n ASP 97 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1ure n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ure n ASN 98 N -0.65 0.00 -1.43 -2.24 0.23 -0.79 -5.01 115.26 105.37 1ure n ASN 98 Ca 0.06 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.93 1ure n ASN 98 Cb 0.03 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.65 1ure n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ure n GLY 99 N 0.00 1.68 0.00 4.83 0.00 0.22 -4.94 105.19 106.98 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 -4.86 118.16 116.40 1ure n LYS 100 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1ure n LYS 100 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1ure n LYS 100 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ure n GLU 101 N 0.00 0.00 -3.64 1.97 0.00 -1.26 -4.76 120.64 112.95 1ure n GLU 101 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1ure n GLU 101 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1ure n GLU 101 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ure s LEU 102 N 0.00 0.28 0.06 -1.84 0.20 0.35 -4.44 118.68 113.29 1ure s LEU 102 Ca 0.00 0.07 -0.03 0.00 0.69 0.00 0.00 54.13 54.86 1ure s LEU 102 Cb 0.00 1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 47.56 1ure s LEU 102 CO 0.00 -0.66 0.03 -0.51 -0.29 0.00 0.00 176.35 174.92 1ure s ILE 103 N -2.35 0.20 -0.22 6.68 2.07 0.14 0.31 121.20 128.03 1ure s ILE 103 Ca -0.06 -1.65 -0.04 0.00 -1.41 0.00 0.00 60.65 57.50 1ure s ILE 103 Cb -0.01 -1.49 0.11 0.00 0.13 0.00 0.00 42.46 41.20 1ure s ILE 103 CO -0.01 -0.89 0.33 0.00 -1.91 0.00 0.00 174.94 172.46 1ure s ALA 104 N -3.91 -0.86 -0.44 1.50 0.00 0.28 0.17 121.76 118.50 1ure s ALA 104 Ca 0.07 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 1ure s ALA 104 Cb 0.07 -1.50 0.07 0.00 0.00 0.00 0.00 23.12 21.76 1ure s ALA 104 CO -0.10 -1.15 0.33 0.54 0.00 0.00 0.00 175.76 175.38 1ure s VAL 105 N 2.49 4.84 -0.92 0.00 0.11 -1.26 -0.04 120.40 125.62 1ure s VAL 105 Ca 0.09 -1.13 -0.24 0.00 -2.93 0.00 0.00 61.98 57.77 1ure s VAL 105 Cb -0.15 -3.88 0.04 0.00 -1.53 0.00 0.00 36.38 30.86 1ure s VAL 105 CO -0.14 -0.50 1.44 -0.13 -3.33 0.00 0.00 175.10 172.43 1ure s ARG 106 N 1.56 3.40 -1.01 1.54 0.52 0.16 -3.20 118.95 121.92 1ure s ARG 106 Ca 0.04 -0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 54.37 1ure s ARG 106 Cb -0.23 -4.99 0.26 0.00 0.52 0.00 0.00 34.95 30.51 1ure s ARG 106 CO 0.05 -2.27 0.98 -1.83 0.02 0.00 0.00 175.30 172.26 1ure s GLU 107 N 5.35 3.93 0.19 3.54 -1.05 0.40 -2.92 118.70 128.13 1ure s GLU 107 Ca 0.45 -3.04 -0.32 0.00 -0.15 0.00 0.00 54.97 51.91 1ure s GLU 107 Cb -0.03 -4.44 -0.11 0.00 -0.44 0.00 0.00 34.13 29.11 1ure s GLU 107 CO -0.02 -1.25 1.72 -1.50 0.95 0.00 0.00 175.26 175.16 1ure s ILE 108 N -0.92 2.20 -0.60 1.83 2.07 -1.26 -3.74 121.20 120.78 1ure s ILE 108 Ca 0.27 0.09 0.05 0.00 -1.41 0.00 0.00 60.65 59.66 1ure s ILE 108 Cb -0.10 -3.06 0.20 0.00 0.13 0.00 0.00 42.46 39.63 1ure s ILE 108 CO -0.09 0.01 0.54 -0.24 -1.91 0.00 0.00 174.94 173.25 1ure n SER 109 N 4.27 2.31 0.00 4.50 2.88 0.10 -4.97 113.62 122.71 1ure n SER 109 Ca 0.16 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 1ure n SER 109 Cb 0.36 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 1.73 2.22 0.55 0.46 0.00 -1.26 -3.51 105.19 105.37 1ure n GLY 110 Ca 0.25 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 5.91 2.73 -3.84 1.61 4.13 -1.26 -4.95 115.26 119.60 1ure n ASN 111 Ca 0.00 -3.28 -0.25 0.00 1.68 0.00 0.00 54.58 52.73 1ure n ASN 111 Cb 0.00 -0.51 -0.17 0.00 -1.54 0.00 0.00 39.78 37.56 1ure n ASN 111 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ure s GLU 112 N -2.97 1.06 -1.15 3.52 -1.05 -1.23 -1.52 118.70 115.36 1ure s GLU 112 Ca 0.38 -0.08 -0.03 0.00 -0.15 0.00 0.00 54.97 55.09 1ure s GLU 112 Cb 0.33 -1.29 0.23 0.00 -0.44 0.00 0.00 34.13 32.96 1ure s GLU 112 CO 0.03 -0.29 2.09 -0.11 0.95 0.00 0.00 175.26 177.93 1ure n LEU 113 N 5.05 7.67 -4.65 1.83 7.94 -1.22 0.01 117.00 133.62 1ure n LEU 113 Ca -0.10 -5.14 -0.50 0.00 -1.11 0.00 0.00 56.01 49.16 1ure n LEU 113 Cb 0.50 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 43.14 1ure n LEU 113 CO 0.13 2.05 1.16 -0.38 -1.11 0.00 0.00 177.39 179.24 1ure n ILE 114 N 0.73 0.14 -4.92 1.96 -0.00 -1.25 -4.52 119.36 111.51 1ure n ILE 114 Ca 0.54 -0.02 -0.27 0.00 -0.00 0.00 0.00 62.75 62.99 1ure n ILE 114 Cb 0.26 -1.30 -0.16 0.00 -0.00 0.00 0.00 39.64 38.43 1ure n ILE 114 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1ure s GLN 115 N 1.65 2.02 0.63 0.38 -0.21 -1.17 -0.45 119.66 122.50 1ure s GLN 115 Ca 0.86 -0.66 0.06 0.00 0.02 0.00 0.00 55.36 55.64 1ure s GLN 115 Cb -0.83 -1.71 0.10 0.00 1.00 0.00 0.00 33.01 31.58 1ure s GLN 115 CO 0.47 0.24 0.87 0.95 -2.12 0.00 0.00 175.29 175.70 1ure s THR 116 N 0.09 2.11 -0.31 -0.19 -4.23 -1.19 0.34 115.64 112.26 1ure s THR 116 Ca -0.06 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1ure s THR 116 Cb -0.13 -2.24 0.14 0.00 1.34 0.00 0.00 72.50 71.61 1ure s THR 116 CO 0.03 0.00 0.30 -0.31 -0.54 0.00 0.00 174.62 174.10 1ure s TYR 117 N -2.83 -0.36 -0.48 3.99 2.02 0.24 -3.98 117.35 115.94 1ure s TYR 117 Ca 0.64 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1ure s TYR 117 Cb -0.05 -0.49 0.13 0.00 -0.40 0.00 0.00 41.96 41.15 1ure s TYR 117 CO 0.41 -0.92 0.25 0.99 -1.57 0.00 0.00 175.55 174.71 1ure s THR 118 N 2.14 3.01 -0.60 -0.71 2.01 0.13 -2.38 115.64 119.24 1ure s THR 118 Ca 0.11 -2.70 0.23 0.00 0.31 0.00 0.00 61.69 59.64 1ure s THR 118 Cb -0.15 -3.06 0.24 0.00 0.01 0.00 0.00 72.50 69.55 1ure s THR 118 CO -0.27 -0.75 1.71 0.00 -0.69 0.00 0.00 174.62 174.62 1ure n TYR 119 N 3.82 0.74 0.00 4.92 9.36 -1.26 0.26 117.16 135.00 1ure n TYR 119 Ca 0.04 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1ure n TYR 119 Cb 0.38 -0.93 0.00 0.00 -0.63 0.00 0.00 39.34 38.16 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 -2.15 0.00 -0.83 2.98 -0.58 -1.26 -4.23 120.64 114.56 1ure n GLU 120 Ca 0.03 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.82 1ure n GLU 120 Cb 0.27 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.26 1ure n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ure n GLY 121 N -0.44 3.41 2.51 0.62 0.00 -1.26 -4.95 105.19 105.08 1ure n GLY 121 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 1ure n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ure s VAL 122 N -1.89 0.03 1.35 1.61 1.01 -1.26 -5.13 120.40 116.11 1ure s VAL 122 Ca 0.33 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.72 1ure s VAL 122 Cb 0.34 -1.04 0.34 0.00 0.00 0.00 0.00 36.38 36.02 1ure s VAL 122 CO -0.09 -0.88 1.00 -1.61 0.00 0.00 0.00 175.10 173.53 1ure s GLU 123 N 1.40 -2.37 -0.30 2.72 2.02 -1.24 -4.28 118.70 116.64 1ure s GLU 123 Ca 0.15 0.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.08 1ure s GLU 123 Cb -0.20 -1.45 0.19 0.00 0.10 0.00 0.00 34.13 32.76 1ure s GLU 123 CO -0.10 -4.48 0.95 0.00 0.02 0.00 0.00 175.26 171.65 1ure s ALA 124 N -2.57 -3.61 0.38 5.21 0.00 -1.00 -4.33 121.76 115.84 1ure s ALA 124 Ca 0.70 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 1ure s ALA 124 Cb -0.11 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.18 1ure s ALA 124 CO 0.57 -1.94 0.95 0.15 0.00 0.00 0.00 175.76 175.48 1ure s LYS 125 N 2.93 4.39 -0.44 0.00 3.01 0.42 -0.59 119.74 129.45 1ure s LYS 125 Ca 0.20 1.21 0.05 0.00 -1.01 0.00 0.00 55.97 56.42 1ure s LYS 125 Cb -0.05 -2.45 0.18 0.00 -1.01 0.00 0.00 37.83 34.50 1ure s LYS 125 CO -0.22 0.11 0.38 0.54 0.51 0.00 0.00 175.35 176.67 1ure n ARG 126 N -0.11 0.45 -1.96 1.68 5.12 0.15 0.67 116.66 122.66 1ure n ARG 126 Ca 0.05 -3.33 -0.42 0.00 -1.93 0.00 0.00 57.85 52.22 1ure n ARG 126 Cb 0.52 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 30.11 1ure n ARG 126 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ure s ILE 127 N -0.28 3.40 0.08 0.55 -1.09 -1.26 -3.05 121.20 119.55 1ure s ILE 127 Ca 0.33 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1ure s ILE 127 Cb 0.05 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1ure s ILE 127 CO -0.18 -0.46 0.23 -0.36 -1.23 0.00 0.00 174.94 172.94 1ure s PHE 128 N 7.69 3.51 -0.44 3.97 0.40 -1.26 -1.37 117.98 130.48 1ure s PHE 128 Ca 0.80 0.24 0.04 0.00 -0.60 0.00 0.00 56.93 57.41 1ure s PHE 128 Cb -0.21 -1.75 0.44 0.00 0.51 0.00 0.00 43.02 42.00 1ure s PHE 128 CO 0.31 0.56 1.34 1.63 0.70 0.00 0.00 175.22 179.76 1ure n LYS 129 N 0.10 3.37 -2.28 0.44 4.76 -1.24 -3.44 118.16 119.87 1ure n LYS 129 Ca -0.05 -4.12 -0.08 0.00 -2.87 0.00 0.00 58.31 51.19 1ure n LYS 129 Cb 0.52 -2.27 0.01 0.00 -1.84 0.00 0.00 35.03 31.44 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 -0.64 -0.48 0.00 1.97 4.81 -0.58 -4.80 118.16 118.44 1ure n LYS 130 Ca 0.45 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 1ure n LYS 130 Cb 0.76 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 35.02 1ure n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96