#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dca s GLY 3 N 0.00 0.02 -0.36 1.09 0.00 -1.26 -5.04 107.32 101.77 3dca s GLY 3 Ca 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 3dca s GLY 3 CO 0.00 0.84 0.17 0.30 0.00 0.00 0.00 173.10 174.40 3dca s HIS 4 N 1.06 3.24 -0.17 1.90 0.09 -1.26 -4.93 115.29 115.22 3dca s HIS 4 Ca -0.08 -1.07 -0.01 0.00 -0.00 0.00 0.00 55.06 53.90 3dca s HIS 4 Cb -0.11 -2.38 -0.10 0.00 -0.00 0.00 0.00 32.58 29.98 3dca s HIS 4 CO -0.04 -0.65 -0.16 -0.89 -0.00 0.00 0.00 174.74 172.99 3dca n ILE 5 N 4.94 0.97 -4.12 0.60 5.41 -1.26 -1.59 119.36 124.30 3dca n ILE 5 Ca -0.12 -0.35 -0.12 0.00 1.00 0.00 0.00 62.75 63.16 3dca n ILE 5 Cb 0.46 -1.22 -0.11 0.00 -0.71 0.00 0.00 39.64 38.06 3dca n ILE 5 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3dca s ASP 6 N -5.81 1.08 0.79 4.38 1.01 -1.26 -4.91 116.67 111.95 3dca s ASP 6 Ca -0.23 -0.76 -0.12 0.00 0.71 0.00 0.00 52.55 52.15 3dca s ASP 6 Cb 0.07 0.05 0.07 0.00 1.01 0.00 0.00 42.92 44.11 3dca s ASP 6 CO 0.37 -0.31 1.11 -2.16 0.21 0.00 0.00 175.17 174.39 3dca s PRO 7 N -2.62 2.14 0.30 8.23 0.04 -1.26 -5.05 135.00 136.78 3dca s PRO 7 Ca 0.01 0.50 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 3dca s PRO 7 Cb -0.03 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3dca s PRO 7 CO -0.02 -1.55 0.82 0.99 0.04 0.00 0.00 177.00 177.28 3dca s THR 8 N -3.26 4.47 0.26 1.26 2.01 -1.26 -4.96 115.64 114.15 3dca s THR 8 Ca 0.61 1.39 -0.08 0.00 0.31 0.00 0.00 61.69 63.92 3dca s THR 8 Cb -0.13 -3.82 0.36 0.00 0.01 0.00 0.00 72.50 68.92 3dca s THR 8 CO 0.53 0.04 1.59 0.07 -0.69 0.00 0.00 174.62 176.17 3dca h LYS 9 N 2.92 0.02 -0.22 4.92 -0.00 -1.99 -0.36 116.57 121.86 3dca h LYS 9 Ca -0.48 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.12 3dca h LYS 9 Cb 1.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.41 3dca h LYS 9 CO 0.65 0.01 -0.05 0.93 -0.00 0.00 0.00 179.45 180.99 3dca h GLU 10 N 0.02 0.43 0.00 0.07 3.07 -2.01 -3.05 114.58 113.12 3dca h GLU 10 Ca 0.44 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3dca h GLU 10 Cb 0.73 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3dca h GLU 10 CO -0.84 0.67 -0.44 0.28 -1.40 0.00 0.00 179.01 177.28 3dca h VAL 11 N 0.17 0.93 0.00 3.13 2.07 -1.86 -2.88 116.25 117.80 3dca h VAL 11 Ca 0.06 -1.80 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 3dca h VAL 11 Cb 0.51 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3dca h VAL 11 CO 0.02 0.43 -0.40 0.15 0.02 0.00 0.00 177.57 177.79 3dca h PHE 12 N 0.00 0.00 -0.13 1.57 3.57 -1.01 -2.47 116.94 118.47 3dca h PHE 12 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3dca h PHE 12 Cb 1.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 3dca h PHE 12 CO 0.00 0.40 -0.05 0.00 -2.23 0.00 0.00 178.31 176.43 3dca h ALA 13 N 1.60 0.18 -0.78 2.41 0.00 -1.40 -2.15 119.26 119.12 3dca h ALA 13 Ca -0.00 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.86 3dca h ALA 13 Cb 1.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3dca h ALA 13 CO 0.05 -0.04 0.54 1.96 0.00 0.00 0.00 179.25 181.77 3dca h GLN 14 N -0.06 0.15 0.28 0.00 4.20 -1.42 0.74 115.11 118.99 3dca h GLN 14 Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3dca h GLN 14 Cb 0.50 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3dca h GLN 14 CO 0.02 0.10 -0.13 0.35 -0.67 0.00 0.00 178.83 178.49 3dca h PHE 15 N 0.15 -0.35 -0.27 2.96 3.57 -1.13 -3.13 116.94 118.74 3dca h PHE 15 Ca 0.38 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 3dca h PHE 15 Cb 1.28 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3dca h PHE 15 CO -0.00 0.01 -0.05 0.00 -2.23 0.00 0.00 178.31 176.04 3dca h ARG 16 N -0.81 0.43 -0.83 1.11 3.08 -0.55 -2.39 114.38 114.42 3dca h ARG 16 Ca -0.04 -0.10 0.20 0.00 0.07 0.00 0.00 59.98 60.12 3dca h ARG 16 Cb 0.51 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 3dca h ARG 16 CO 0.06 0.50 0.56 0.00 -1.07 0.00 0.00 179.97 180.03 3dca h ALA 17 N 1.54 2.39 0.00 0.04 0.00 0.41 -3.30 119.26 120.35 3dca h ALA 17 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dca h ALA 17 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dca h ALA 17 CO 0.02 -0.64 -0.40 -0.97 0.00 0.00 0.00 179.25 177.26 3dca h ASN 18 N 0.25 0.00 -4.67 0.00 -0.73 -1.37 -3.47 115.58 105.58 3dca h ASN 18 Ca 0.41 -0.51 -0.12 0.00 1.87 0.00 0.00 56.30 57.95 3dca h ASN 18 Cb 1.23 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.75 3dca h ASN 18 CO -0.10 0.98 -0.18 -0.90 -0.37 0.00 0.00 177.43 176.86 3dca n ASP 19 N -4.60 -0.95 -4.45 1.15 5.75 -1.25 -4.93 116.55 107.29 3dca n ASP 19 Ca -0.13 0.04 -0.38 0.00 -0.01 0.00 0.00 54.79 54.32 3dca n ASP 19 Cb 0.40 -0.90 0.04 0.00 -1.03 0.00 0.00 41.12 39.63 3dca n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3dca n ARG 20 N -2.29 0.43 -2.70 0.11 -4.01 -1.26 -4.88 116.66 102.06 3dca n ARG 20 Ca 0.02 0.17 -0.43 0.00 -1.04 0.00 0.00 57.85 56.58 3dca n ARG 20 Cb 0.38 -1.67 -0.02 0.00 -3.04 0.00 0.00 32.46 28.11 3dca n ARG 20 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 3dca s GLU 21 N -2.14 4.17 -0.02 2.89 2.12 -1.26 -4.72 118.70 119.74 3dca s GLU 21 Ca 0.67 1.17 -0.12 0.00 0.36 0.00 0.00 54.97 57.05 3dca s GLU 21 Cb -0.43 -3.68 0.04 0.00 0.26 0.00 0.00 34.13 30.33 3dca s GLU 21 CO 0.56 -0.71 0.54 0.41 -0.54 0.00 0.00 175.26 175.53 3dca n GLY 22 N 3.60 0.40 4.00 -1.50 0.00 -1.26 -5.14 105.19 105.30 3dca n GLY 22 Ca 0.11 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3dca n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dca s PRO 23 N -2.00 2.44 0.07 1.61 0.04 -1.26 -4.04 135.00 131.85 3dca s PRO 23 Ca 0.13 -1.21 0.04 0.00 0.04 0.00 0.00 61.00 59.99 3dca s PRO 23 Cb -0.00 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 3dca s PRO 23 CO -0.01 -0.72 -0.11 0.96 0.04 0.00 0.00 177.00 177.16 3dca s ILE 24 N -2.66 0.90 0.10 0.56 -4.36 0.20 -4.63 121.20 111.31 3dca s ILE 24 Ca 0.59 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 3dca s ILE 24 Cb -0.08 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 3dca s ILE 24 CO 0.38 -0.35 0.00 1.41 0.24 0.00 0.00 174.94 176.62 3dca n HIS 25 N 1.17 0.22 -3.56 1.37 8.25 -0.34 -1.54 115.22 120.78 3dca n HIS 25 Ca -0.20 -0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 56.74 3dca n HIS 25 Cb 0.55 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.56 3dca n HIS 25 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dca s LEU 27 N 0.00 -0.91 -0.22 2.41 2.96 -0.44 -0.14 118.68 122.33 3dca s LEU 27 Ca 0.00 1.27 -0.01 0.00 -0.22 0.00 0.00 54.13 55.18 3dca s LEU 27 Cb 0.00 2.07 0.02 0.00 0.50 0.00 0.00 46.19 48.78 3dca s LEU 27 CO 0.00 -0.18 -0.10 0.20 -1.32 0.00 0.00 176.35 174.96 3dca s ASN 28 N 2.60 4.01 -0.35 3.68 0.01 0.08 -0.51 114.94 124.46 3dca s ASN 28 Ca -0.05 -0.73 0.02 0.00 -0.71 0.00 0.00 52.86 51.39 3dca s ASN 28 Cb -0.09 -1.63 0.10 0.00 0.41 0.00 0.00 41.25 40.04 3dca s ASN 28 CO -0.18 -0.07 0.07 -0.76 -1.51 0.00 0.00 177.10 174.64 3dca s LEU 29 N 1.34 4.74 -0.12 0.60 1.43 0.15 -2.15 118.68 124.65 3dca s LEU 29 Ca 0.02 -2.05 -0.02 0.00 -1.03 0.00 0.00 54.13 51.05 3dca s LEU 29 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3dca s LEU 29 CO -0.06 -0.39 -0.03 -0.69 0.23 0.00 0.00 176.35 175.40 3dca s VAL 30 N 0.97 3.95 -0.31 -1.59 1.01 -0.41 0.06 120.40 124.09 3dca s VAL 30 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3dca s VAL 30 Cb -0.20 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.57 3dca s VAL 30 CO -0.07 0.54 -0.01 -0.60 0.00 0.00 0.00 175.10 174.96 3dca s ARG 31 N -0.14 1.86 0.49 2.72 3.52 0.57 -0.30 118.95 127.67 3dca s ARG 31 Ca 0.03 -1.64 -0.20 0.00 -0.13 0.00 0.00 55.73 53.79 3dca s ARG 31 Cb -0.13 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 3dca s ARG 31 CO 0.02 -0.78 1.06 -0.51 -0.81 0.00 0.00 175.30 174.28 3dca s LEU 32 N 1.01 3.84 0.44 -0.88 1.43 -1.26 -1.20 118.68 122.05 3dca s LEU 32 Ca 0.02 1.99 -0.04 0.00 -1.03 0.00 0.00 54.13 55.07 3dca s LEU 32 Cb -0.20 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 3dca s LEU 32 CO -0.06 -0.86 0.72 0.00 0.23 0.00 0.00 176.35 176.38 3dca s ARG 33 N -3.22 3.55 -0.03 1.70 1.70 -0.01 -4.51 118.95 118.13 3dca s ARG 33 Ca 0.68 0.09 -0.21 0.00 -0.47 0.00 0.00 55.73 55.83 3dca s ARG 33 Cb -0.18 -2.45 -0.29 0.00 -0.57 0.00 0.00 34.95 31.46 3dca s ARG 33 CO 0.22 -0.10 0.97 -1.35 -1.08 0.00 0.00 175.30 173.96 3dca h PRO 34 N 0.47 0.35 -4.67 3.89 0.11 -1.96 -3.21 132.00 126.98 3dca h PRO 34 Ca -0.48 -0.51 -0.69 0.00 0.11 0.00 0.00 66.00 64.44 3dca h PRO 34 Cb 1.21 0.17 -0.21 0.00 0.11 0.00 0.00 31.00 32.28 3dca h PRO 34 CO 0.62 1.20 -0.50 1.03 -0.21 0.00 0.00 178.00 180.15 3dca s ARG 35 N -2.71 3.22 0.78 1.05 3.00 -1.26 -1.73 118.95 121.29 3dca s ARG 35 Ca -0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 55.73 54.63 3dca s ARG 35 Cb 0.02 -3.76 0.04 0.00 0.00 0.00 0.00 34.95 31.25 3dca s ARG 35 CO 0.83 -0.55 0.99 0.00 0.00 0.00 0.00 175.30 176.58 3dca n ALA 36 N 5.06 -0.46 -2.23 2.13 0.00 -1.05 -4.78 120.51 119.18 3dca n ALA 36 Ca -0.12 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 3dca n ALA 36 Cb 0.48 -2.13 0.01 0.00 0.00 0.00 0.00 19.45 17.82 3dca n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dca n ALA 37 N -2.97 5.25 -1.75 0.00 0.00 -0.13 -4.81 120.51 116.11 3dca n ALA 37 Ca 0.12 -4.10 -0.39 0.00 0.00 0.00 0.00 53.44 49.08 3dca n ALA 37 Cb 0.50 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.32 3dca n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dca s TYR 38 N -3.62 2.32 1.27 0.00 1.51 -1.26 -4.79 117.35 112.78 3dca s TYR 38 Ca 0.50 1.32 -0.21 0.00 -1.01 0.00 0.00 57.07 57.68 3dca s TYR 38 Cb 0.41 -3.86 0.31 0.00 -0.11 0.00 0.00 41.96 38.71 3dca s TYR 38 CO -0.13 -2.98 1.08 -2.14 -1.11 0.00 0.00 175.55 170.27 3dca s PRO 39 N -2.75 -1.74 5.40 -1.71 0.01 -1.26 -4.95 135.00 128.00 3dca s PRO 39 Ca 0.68 -0.10 0.00 0.00 0.01 0.00 0.00 61.00 61.59 3dca s PRO 39 Cb -0.42 -1.54 0.00 0.00 0.01 0.00 0.00 34.50 32.55 3dca s PRO 39 CO 0.51 -4.05 0.00 -0.25 0.01 0.00 0.00 177.00 173.23 3dca n ASP 40 N -4.99 0.00 0.00 2.53 8.00 -1.26 -5.16 116.55 115.66 3dca n ASP 40 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3dca n ASP 40 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3dca n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3dca n GLU 43 N 0.00 0.00 -1.92 -1.24 0.28 -1.26 -5.16 120.64 111.33 3dca n GLU 43 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3dca n GLU 43 Cb 0.00 0.00 0.10 0.00 1.43 0.00 0.00 31.44 32.97 3dca n GLU 43 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3dca s THR 44 N 0.00 2.02 0.56 3.84 -4.23 -1.26 -4.98 115.64 111.59 3dca s THR 44 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3dca s THR 44 Cb 0.00 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.87 3dca s THR 44 CO 0.00 0.00 0.81 0.42 -0.54 0.00 0.00 174.62 175.31 3dca s THR 45 N -3.59 3.00 0.08 3.99 -4.23 -1.26 -2.52 115.64 111.10 3dca s THR 45 Ca 0.63 -0.48 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 3dca s THR 45 Cb -0.10 -3.16 -0.11 0.00 1.34 0.00 0.00 72.50 70.48 3dca s THR 45 CO 0.49 -0.12 1.56 1.23 -0.54 0.00 0.00 174.62 177.24 3dca h GLY 46 N -0.00 0.30 2.00 3.99 0.00 -1.34 -2.14 103.07 105.88 3dca h GLY 46 Ca -0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 3dca h GLY 46 CO 0.56 0.17 -0.36 0.00 0.00 0.00 0.00 176.54 176.91 3dca h ALA 47 N 0.84 1.34 -0.19 3.60 0.00 -1.86 0.46 119.26 123.46 3dca h ALA 47 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3dca h ALA 47 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dca h ALA 47 CO 0.00 0.44 -0.13 0.93 0.00 0.00 0.00 179.25 180.50 3dca h GLU 48 N 0.00 0.42 -0.99 0.00 5.08 -1.95 -2.35 114.58 114.78 3dca h GLU 48 Ca -0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3dca h GLU 48 Cb 0.66 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 3dca h GLU 48 CO 0.05 0.74 0.66 0.00 -1.00 0.00 0.00 179.01 179.46 3dca h ALA 49 N 0.66 1.27 -0.11 3.43 0.00 -0.59 -1.65 119.26 122.29 3dca h ALA 49 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dca h ALA 49 Cb 0.64 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dca h ALA 49 CO 0.03 0.63 -0.01 -0.92 0.00 0.00 0.00 179.25 178.99 3dca h TYR 50 N 1.33 0.21 -0.57 0.00 5.03 -0.98 -2.96 116.97 119.04 3dca h TYR 50 Ca 0.37 -0.04 0.13 0.00 2.58 0.00 0.00 58.73 61.77 3dca h TYR 50 Cb -0.13 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 3dca h TYR 50 CO -0.00 0.46 0.40 0.00 -1.32 0.00 0.00 178.16 177.70 3dca h ALA 51 N 0.72 2.27 0.13 1.82 0.00 -0.93 -1.09 119.26 122.18 3dca h ALA 51 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dca h ALA 51 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dca h ALA 51 CO 0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 179.25 178.66 3dca h ALA 52 N 1.72 -0.83 -0.96 0.00 0.00 -1.15 -0.66 119.26 117.37 3dca h ALA 52 Ca 0.27 -0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.31 3dca h ALA 52 Cb 0.81 0.47 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 3dca h ALA 52 CO -0.05 -0.85 -0.26 0.98 0.00 0.00 0.00 179.25 179.07 3dca n TYR 53 N -3.37 0.30 0.05 0.00 9.36 -0.54 -0.88 117.16 122.07 3dca n TYR 53 Ca -0.04 1.18 -0.11 0.00 3.32 0.00 0.00 57.90 62.25 3dca n TYR 53 Cb 0.15 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 37.79 3dca n TYR 53 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3dca h GLY 54 N 0.00 -0.18 1.21 2.98 0.00 -1.06 1.13 103.07 107.15 3dca h GLY 54 Ca 0.44 0.18 0.05 0.00 0.00 0.00 0.00 47.33 48.00 3dca h GLY 54 CO -0.99 -0.15 0.42 3.21 0.00 0.00 0.00 176.54 179.03 3dca h ARG 55 N -0.24 0.66 0.17 4.80 3.08 0.59 -2.48 114.38 120.97 3dca h ARG 55 Ca 0.06 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.71 3dca h ARG 55 Cb 0.32 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3dca h ARG 55 CO -0.16 0.44 -1.81 -0.44 -1.07 0.00 0.00 179.97 176.93 3dca h ASP 56 N 0.68 0.56 0.40 7.04 5.19 -0.62 -3.40 116.42 126.27 3dca h ASP 56 Ca 0.26 -0.92 -0.02 0.00 -0.62 0.00 0.00 57.03 55.73 3dca h ASP 56 Cb 0.17 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3dca h ASP 56 CO -0.08 1.79 -0.19 -1.28 -3.12 0.00 0.00 179.24 176.37 3dca h SER 57 N 0.10 -0.45 -0.59 6.45 0.87 0.14 -3.36 113.55 116.71 3dca h SER 57 Ca -0.36 -0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.22 3dca h SER 57 Cb 2.08 0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 64.05 3dca h SER 57 CO 0.15 -0.16 -0.16 0.61 -0.53 0.00 0.00 176.83 176.74 3dca n GLY 58 N -0.74 -1.01 0.17 5.77 0.00 -0.94 -1.22 105.19 107.22 3dca n GLY 58 Ca -0.10 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 3dca n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dca h PRO 59 N 0.00 0.48 0.88 1.61 0.11 -1.81 0.55 132.00 133.83 3dca h PRO 59 Ca 0.27 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.31 3dca h PRO 59 Cb 0.42 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.43 3dca h PRO 59 CO -0.60 0.32 -0.42 0.28 -0.21 0.00 0.00 178.00 177.36 3dca h VAL 60 N 0.50 0.08 -0.89 3.15 2.07 -1.37 -2.59 116.25 117.20 3dca h VAL 60 Ca 0.15 -0.07 0.15 0.00 0.82 0.00 0.00 66.70 67.76 3dca h VAL 60 Cb -0.02 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 29.75 3dca h VAL 60 CO -0.06 0.00 0.49 0.15 0.02 0.00 0.00 177.57 178.17 3dca h PHE 61 N -1.25 0.86 -0.37 1.57 3.04 -1.17 -0.72 116.94 118.90 3dca h PHE 61 Ca -0.12 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.90 3dca h PHE 61 Cb 0.91 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 3dca h PHE 61 CO -0.00 0.23 0.16 0.93 -2.02 0.00 0.00 178.31 177.60 3dca h GLU 62 N 0.69 0.32 -0.55 1.11 5.08 0.09 0.25 114.58 121.58 3dca h GLU 62 Ca 0.48 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3dca h GLU 62 Cb 0.67 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3dca h GLU 62 CO -0.35 0.21 0.24 -0.09 -1.00 0.00 0.00 179.01 178.03 3dca h ARG 63 N 0.33 0.81 -0.01 2.33 2.43 -0.74 -2.30 114.38 117.24 3dca h ARG 63 Ca 0.16 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3dca h ARG 63 Cb 0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3dca h ARG 63 CO -0.14 0.69 -0.01 1.28 -1.51 0.00 0.00 179.97 180.28 3dca n LEU 64 N -4.53 0.74 0.00 3.80 4.77 -0.83 -4.93 117.00 116.02 3dca n LEU 64 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3dca n LEU 64 Cb 0.14 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3dca n LEU 64 CO 0.38 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3dca n GLY 65 N 1.10 0.79 3.78 -0.72 0.00 -0.73 -4.79 105.19 104.61 3dca n GLY 65 Ca 0.21 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3dca n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dca s GLY 66 N -2.31 2.65 -0.10 -0.02 0.00 0.81 -4.34 107.32 104.02 3dca s GLY 66 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 44.72 45.42 3dca s GLY 66 CO 0.00 1.18 0.28 -1.59 0.00 0.00 0.00 173.10 172.96 3dca s LYS 67 N -3.06 0.34 -0.45 2.90 -2.85 -0.34 -4.31 119.74 111.97 3dca s LYS 67 Ca 0.68 0.35 -0.26 0.00 -1.00 0.00 0.00 55.97 55.74 3dca s LYS 67 Cb -0.23 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.73 3dca s LYS 67 CO 0.27 -0.05 0.93 0.08 0.10 0.00 0.00 175.35 176.69 3dca s VAL 68 N 0.06 4.48 -0.11 1.79 1.01 -1.26 0.45 120.40 126.82 3dca s VAL 68 Ca -0.01 0.79 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 3dca s VAL 68 Cb -0.02 -4.43 -0.26 0.00 0.00 0.00 0.00 36.38 31.67 3dca s VAL 68 CO 0.01 -0.82 0.87 0.58 0.00 0.00 0.00 175.10 175.74 3dca h VAL 69 N 6.06 1.69 -4.08 2.92 2.07 -1.45 -3.48 116.25 120.00 3dca h VAL 69 Ca -0.24 -2.19 -0.13 0.00 0.82 0.00 0.00 66.70 64.96 3dca h VAL 69 Cb 1.08 3.16 -0.17 0.00 -1.52 0.00 0.00 31.29 33.84 3dca h VAL 69 CO 1.03 0.58 -0.64 0.86 0.02 0.00 0.00 177.57 179.42 3dca s TRP 70 N -2.58 0.38 -0.29 1.57 -0.00 -1.19 -5.01 118.94 111.82 3dca s TRP 70 Ca -0.18 -0.82 -0.16 0.00 -0.00 0.00 0.00 56.10 54.95 3dca s TRP 70 Cb -0.02 -0.28 0.15 0.00 -0.00 0.00 0.00 33.47 33.32 3dca s TRP 70 CO 0.71 -0.35 0.98 -1.14 -0.00 0.00 0.00 176.95 177.15 3dca s GLN 71 N -3.13 0.37 0.37 5.86 0.74 -1.26 -1.31 119.66 121.30 3dca s GLN 71 Ca -0.00 0.67 0.04 0.00 0.05 0.00 0.00 55.36 56.11 3dca s GLN 71 Cb 0.02 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3dca s GLN 71 CO -0.07 -0.08 0.07 0.20 -0.55 0.00 0.00 175.29 174.86 3dca s GLY 72 N 1.47 2.35 -0.19 2.59 0.00 -1.00 -5.02 107.32 107.52 3dca s GLY 72 Ca -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 3dca s GLY 72 CO -0.15 -1.88 -0.03 1.62 0.00 0.00 0.00 173.10 172.67 3dca s GLN 73 N -3.83 3.57 0.12 2.90 0.74 -1.26 -3.96 119.66 117.95 3dca s GLN 73 Ca 0.30 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.85 3dca s GLN 73 Cb 0.06 -2.99 -0.10 0.00 1.10 0.00 0.00 33.01 31.08 3dca s GLN 73 CO 0.14 0.05 1.83 0.12 -0.55 0.00 0.00 175.29 176.88 3dca s PHE 74 N 0.88 2.14 -0.07 1.67 5.36 -1.26 -4.86 117.98 121.84 3dca s PHE 74 Ca -0.00 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.91 3dca s PHE 74 Cb -0.14 -4.18 -0.03 0.00 -0.34 0.00 0.00 43.02 38.33 3dca s PHE 74 CO 0.02 -4.86 -0.09 0.39 -1.46 0.00 0.00 175.22 169.21 3dca n GLU 75 N 5.69 0.15 0.00 10.12 1.02 -1.26 -5.07 120.64 131.30 3dca n GLU 75 Ca 0.18 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3dca n GLU 75 Cb 0.38 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 3dca n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3dca n LEU 76 N -3.29 0.00 0.00 -4.62 7.94 -1.26 -5.19 117.00 110.58 3dca n LEU 76 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 3dca n LEU 76 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3dca n LEU 76 CO 0.01 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.18 3dca n LEU 78 N 0.00 0.00 -4.09 -1.96 7.94 -1.26 -5.12 117.00 112.51 3dca n LEU 78 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 3dca n LEU 78 Cb 0.00 0.01 -0.17 0.00 0.53 0.00 0.00 43.42 43.79 3dca n LEU 78 CO 0.00 -0.01 -0.50 -0.63 -1.11 0.00 0.00 177.39 175.14 3dca s ILE 79 N -1.03 1.48 0.00 1.96 1.01 -1.26 -5.08 121.20 118.29 3dca s ILE 79 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3dca s ILE 79 Cb 0.00 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.14 3dca s ILE 79 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3dca n GLY 80 N 3.83 2.54 3.71 6.18 0.00 -1.26 -5.10 105.19 115.10 3dca n GLY 80 Ca -0.21 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3dca n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dca s PRO 81 N -1.74 4.46 0.45 1.61 0.04 -1.26 -4.93 135.00 133.62 3dca s PRO 81 Ca 0.00 1.74 0.12 0.00 0.04 0.00 0.00 61.00 62.89 3dca s PRO 81 Cb 0.00 -3.35 1.03 0.00 0.04 0.00 0.00 34.50 32.22 3dca s PRO 81 CO 0.00 -0.21 2.07 -0.56 0.04 0.00 0.00 177.00 178.33 3dca h GLN 82 N 6.65 0.34 -0.64 4.56 -0.00 -2.01 -2.22 115.11 121.79 3dca h GLN 82 Ca -0.42 -0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.31 3dca h GLN 82 Cb 1.21 -0.08 -0.11 0.00 -0.00 0.00 0.00 27.48 28.50 3dca h GLN 82 CO 0.80 0.23 -0.42 0.38 -0.00 0.00 0.00 178.83 179.81 3dca h ASP 83 N 0.35 -1.47 -2.57 0.06 3.04 -2.06 -3.41 116.42 110.37 3dca h ASP 83 Ca 0.14 0.25 -0.57 0.00 -3.24 0.00 0.00 57.03 53.61 3dca h ASP 83 Cb 0.12 0.68 0.07 0.00 -1.04 0.00 0.00 39.33 39.17 3dca h ASP 83 CO -0.03 -0.32 0.76 -0.62 -2.04 0.00 0.00 179.24 176.98 3dca n GLU 84 N -5.41 2.22 -3.57 4.15 1.02 -0.84 -4.99 120.64 113.22 3dca n GLU 84 Ca 0.03 0.80 -0.01 0.00 -0.02 0.00 0.00 57.16 57.95 3dca n GLU 84 Cb 0.35 -2.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.19 3dca n GLU 84 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3dca s HIS 85 N 0.46 -1.03 -0.12 -0.32 -3.43 -1.26 -4.94 115.29 104.65 3dca s HIS 85 Ca 0.73 1.84 -0.05 0.00 -0.80 0.00 0.00 55.06 56.78 3dca s HIS 85 Cb -0.63 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 3dca s HIS 85 CO 0.43 -0.51 0.07 -1.58 -2.00 0.00 0.00 174.74 171.15 3dca s TRP 86 N 2.43 3.35 -0.25 0.38 0.52 -1.26 -4.78 118.94 119.33 3dca s TRP 86 Ca -0.06 0.31 0.23 0.00 0.02 0.00 0.00 56.10 56.60 3dca s TRP 86 Cb -0.08 -1.90 0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3dca s TRP 86 CO -0.18 0.52 1.09 -0.44 0.02 0.00 0.00 176.95 177.96 3dca h ASP 87 N 5.34 0.00 -3.50 2.95 3.32 -1.03 -3.42 116.42 120.09 3dca h ASP 87 Ca -0.50 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.31 3dca h ASP 87 Cb 1.20 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 3dca h ASP 87 CO 0.59 0.00 -0.59 -1.00 -1.72 0.00 0.00 179.24 176.51 3dca s HIS 88 N -3.35 -0.16 -0.09 4.55 3.76 -0.44 -4.85 115.29 114.71 3dca s HIS 88 Ca 0.00 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3dca s HIS 88 Cb 0.09 -0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.74 3dca s HIS 88 CO 0.78 -0.15 -0.08 0.08 -0.85 0.00 0.00 174.74 174.53 3dca s VAL 89 N 0.97 0.95 0.12 -0.90 1.01 -1.25 -1.28 120.40 120.00 3dca s VAL 89 Ca -0.07 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 3dca s VAL 89 Cb -0.10 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.41 3dca s VAL 89 CO -0.05 0.34 0.65 0.72 0.00 0.00 0.00 175.10 176.76 3dca s PHE 90 N 1.38 -0.52 -0.20 5.22 -0.71 -0.92 -2.37 117.98 119.86 3dca s PHE 90 Ca -0.02 0.38 0.01 0.00 -1.04 0.00 0.00 56.93 56.26 3dca s PHE 90 Cb -0.14 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3dca s PHE 90 CO -0.04 -0.78 -0.16 0.42 -1.34 0.00 0.00 175.22 173.31 3dca s ILE 91 N -3.44 2.21 -0.06 -4.49 1.01 -0.43 -0.74 121.20 115.26 3dca s ILE 91 Ca 0.01 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 3dca s ILE 91 Cb -0.01 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3dca s ILE 91 CO -0.11 0.40 0.21 0.00 0.00 0.00 0.00 174.94 175.44 3dca s ALA 92 N 1.27 3.86 -0.09 9.38 0.00 -1.26 -1.07 121.76 133.84 3dca s ALA 92 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3dca s ALA 92 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3dca s ALA 92 CO -0.10 0.63 -0.08 -2.00 0.00 0.00 0.00 175.76 174.20 3dca s GLU 93 N -1.31 3.00 0.06 0.00 2.56 0.17 -4.30 118.70 118.88 3dca s GLU 93 Ca 0.20 -0.59 0.07 0.00 0.00 0.00 0.00 54.97 54.66 3dca s GLU 93 Cb -0.13 -2.63 -0.03 0.00 2.00 0.00 0.00 34.13 33.34 3dca s GLU 93 CO 0.10 0.50 -0.19 0.71 -0.56 0.00 0.00 175.26 175.82 3dca s TYR 94 N -0.37 1.66 -0.75 5.30 1.51 -0.59 -1.20 117.35 122.91 3dca s TYR 94 Ca 0.05 -0.38 0.25 0.00 -1.01 0.00 0.00 57.07 55.97 3dca s TYR 94 Cb -0.12 -0.97 0.92 0.00 -0.11 0.00 0.00 41.96 41.68 3dca s TYR 94 CO 0.02 0.10 1.75 -0.35 -1.11 0.00 0.00 175.55 175.97 3dca n PRO 95 N 1.66 0.16 -3.52 -1.71 -0.04 -1.26 -0.63 135.00 129.65 3dca n PRO 95 Ca -0.18 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 3dca n PRO 95 Cb 0.54 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 3dca n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dca s SER 96 N -3.94 -0.52 0.52 3.54 1.04 -1.26 -4.08 113.70 109.00 3dca s SER 96 Ca 0.09 0.41 0.16 0.00 0.48 0.00 0.00 55.95 57.09 3dca s SER 96 Cb 0.12 0.46 1.26 0.00 0.10 0.00 0.00 66.02 67.96 3dca s SER 96 CO 0.48 -0.59 2.14 1.62 0.98 0.00 0.00 173.24 177.88 3dca h VAL 97 N 2.57 1.00 -0.25 5.02 3.04 -1.84 -1.83 116.25 123.95 3dca h VAL 97 Ca -0.25 -0.05 -0.17 0.00 -1.01 0.00 0.00 66.70 65.22 3dca h VAL 97 Cb 1.19 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3dca h VAL 97 CO 0.35 0.02 -0.52 0.00 -1.01 0.00 0.00 177.57 176.41 3dca h ALA 98 N 1.98 0.60 -0.41 3.17 0.00 -1.95 -1.81 119.26 120.84 3dca h ALA 98 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dca h ALA 98 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dca h ALA 98 CO 0.00 0.68 0.26 0.00 0.00 0.00 0.00 179.25 180.19 3dca h ALA 99 N 0.84 0.52 -0.34 0.00 0.00 -1.70 -1.70 119.26 116.89 3dca h ALA 99 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dca h ALA 99 Cb 1.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3dca h ALA 99 CO 0.11 -0.01 0.22 0.35 0.00 0.00 0.00 179.25 179.92 3dca h PHE 100 N 0.55 0.42 -0.32 0.00 3.57 -1.31 -3.01 116.94 116.84 3dca h PHE 100 Ca 0.15 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3dca h PHE 100 Cb -0.04 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3dca h PHE 100 CO -0.04 0.26 0.19 0.28 -2.23 0.00 0.00 178.31 176.78 3dca h VAL 101 N 0.45 1.11 0.00 1.41 2.07 -1.16 -2.80 116.25 117.34 3dca h VAL 101 Ca 0.12 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dca h VAL 101 Cb -0.05 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3dca h VAL 101 CO -0.03 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 3dca n GLU 102 N -4.83 0.00 0.00 1.57 -0.58 -0.66 -2.55 120.64 113.59 3dca n GLU 102 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3dca n GLU 102 Cb 0.05 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 3dca n GLU 102 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dca n ILE 104 N 1.08 0.00 0.79 -3.67 2.08 -1.06 -2.99 119.36 115.59 3dca n ILE 104 Ca 0.00 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.42 3dca n ILE 104 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 3dca n ILE 104 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dca n ARG 105 N 0.00 0.14 -1.94 0.38 1.74 -1.06 -4.57 116.66 111.36 3dca n ARG 105 Ca 0.00 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3dca n ARG 105 Cb 0.00 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 3dca n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dca s ASP 106 N -3.36 6.61 0.14 0.55 -1.08 -1.16 -4.83 116.67 113.54 3dca s ASP 106 Ca 0.05 2.49 -0.15 0.00 -0.52 0.00 0.00 52.55 54.42 3dca s ASP 106 Cb 0.16 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 39.15 3dca s ASP 106 CO 0.85 -0.88 1.06 -2.65 0.52 0.00 0.00 175.17 174.07 3dca n PRO 107 N 5.46 -0.20 -0.12 4.34 -0.02 -1.26 0.27 135.00 143.47 3dca n PRO 107 Ca 0.16 1.05 -0.09 0.00 -2.02 0.00 0.00 63.50 62.59 3dca n PRO 107 Cb 0.40 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3dca n PRO 107 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dca h VAL 108 N 0.00 1.15 0.87 -1.45 -1.51 -1.98 -1.46 116.25 111.86 3dca h VAL 108 Ca 0.20 -0.40 -0.04 0.00 -1.23 0.00 0.00 66.70 65.23 3dca h VAL 108 Cb 0.37 0.74 0.01 0.00 -2.13 0.00 0.00 31.29 30.28 3dca h VAL 108 CO -0.67 0.16 -0.42 0.22 -1.23 0.00 0.00 177.57 175.63 3dca h TYR 109 N 0.47 -1.08 -0.96 5.19 3.20 -1.49 -1.94 116.97 120.35 3dca h TYR 109 Ca 0.13 -0.03 0.31 0.00 3.14 0.00 0.00 58.73 62.28 3dca h TYR 109 Cb 0.07 0.36 -0.16 0.00 1.54 0.00 0.00 36.73 38.54 3dca h TYR 109 CO -0.02 -0.67 0.33 0.00 -1.64 0.00 0.00 178.16 176.16 3dca h ARG 110 N -1.20 0.12 -0.28 1.82 3.08 0.07 0.37 114.38 118.36 3dca h ARG 110 Ca -0.12 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 3dca h ARG 110 Cb 0.90 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 3dca h ARG 110 CO 0.20 0.08 -0.34 0.93 -1.07 0.00 0.00 179.97 179.77 3dca h GLU 111 N 0.13 0.72 0.00 0.04 4.39 -1.10 -3.29 114.58 115.47 3dca h GLU 111 Ca 0.68 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3dca h GLU 111 Cb 1.55 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 3dca h GLU 111 CO -0.74 1.03 0.00 0.00 -1.16 0.00 0.00 179.01 178.14 3dca h ALA 112 N 0.69 1.00 0.00 3.43 0.00 0.48 -2.63 119.26 122.22 3dca h ALA 112 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dca h ALA 112 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3dca h ALA 112 CO 0.08 0.00 -0.17 -0.24 0.00 0.00 0.00 179.25 178.92 3dca h VAL 113 N 0.00 0.31 -0.99 0.00 3.04 -1.27 -2.93 116.25 114.41 3dca h VAL 113 Ca 0.00 -1.31 0.21 0.00 -1.01 0.00 0.00 66.70 64.59 3dca h VAL 113 Cb 0.47 2.04 -0.10 0.00 -2.01 0.00 0.00 31.29 31.69 3dca h VAL 113 CO 0.00 0.16 0.62 0.11 -1.01 0.00 0.00 177.57 177.45 3dca h LYS 114 N 0.00 0.62 0.01 4.17 1.57 -1.60 0.46 116.57 121.79 3dca h LYS 114 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dca h LYS 114 Cb 1.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3dca h LYS 114 CO 0.02 0.41 -0.00 0.45 -0.57 0.00 0.00 179.45 179.76 3dca h HIS 115 N 0.64 -0.01 -0.43 -1.35 3.86 -1.69 -2.55 115.15 113.61 3dca h HIS 115 Ca 0.56 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.79 3dca h HIS 115 Cb 1.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 3dca h HIS 115 CO -0.00 0.20 0.25 -0.09 0.86 0.00 0.00 177.93 179.14 3dca h ARG 116 N -0.22 0.48 -0.81 2.45 2.43 -1.26 -1.69 114.38 115.76 3dca h ARG 116 Ca -0.00 -0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.34 3dca h ARG 116 Cb 0.22 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3dca h ARG 116 CO 0.00 0.32 0.55 1.96 -1.51 0.00 0.00 179.97 181.29 3dca h GLN 117 N 0.50 0.25 0.00 0.20 4.20 -0.03 -0.25 115.11 119.98 3dca h GLN 117 Ca 0.17 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3dca h GLN 117 Cb 0.03 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3dca h GLN 117 CO -0.09 0.17 -0.69 0.00 -0.67 0.00 0.00 178.83 177.54 3dca h ALA 118 N 1.62 0.60 0.00 3.87 0.00 -0.91 -3.38 119.26 121.07 3dca h ALA 118 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.99 3dca h ALA 118 Cb 1.19 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3dca h ALA 118 CO -0.10 0.00 -2.08 0.00 0.00 0.00 0.00 179.25 177.06 3dca n ALA 119 N -2.00 1.53 -2.67 0.00 0.00 -0.15 -0.95 120.51 116.28 3dca n ALA 119 Ca 0.02 -1.08 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 3dca n ALA 119 Cb 0.49 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3dca n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dca s VAL 120 N -2.56 4.89 0.05 0.00 1.01 -0.92 -0.83 120.40 122.03 3dca s VAL 120 Ca -0.08 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 3dca s VAL 120 Cb 0.07 -4.12 -0.31 0.00 0.00 0.00 0.00 36.38 32.02 3dca s VAL 120 CO 0.83 0.02 1.08 1.05 0.00 0.00 0.00 175.10 178.08 3dca h GLU 121 N 7.38 0.49 -1.73 2.72 9.09 -1.39 -3.43 114.58 127.71 3dca h GLU 121 Ca -0.29 -0.76 0.03 0.00 0.05 0.00 0.00 59.36 58.39 3dca h GLU 121 Cb 1.13 0.27 -0.22 0.00 -1.65 0.00 0.00 28.75 28.28 3dca h GLU 121 CO 0.84 1.35 0.40 0.34 0.05 0.00 0.00 179.01 181.99 3dca s ASP 122 N -7.41 -0.49 0.21 3.06 2.15 -0.91 -4.40 116.67 108.87 3dca s ASP 122 Ca -0.08 0.60 -0.12 0.00 0.43 0.00 0.00 52.55 53.38 3dca s ASP 122 Cb 0.05 0.49 -0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3dca s ASP 122 CO 0.92 -0.41 0.40 -0.94 -0.17 0.00 0.00 175.17 174.98 3dca s SER 123 N -0.94 -0.07 0.02 -0.34 1.04 -0.62 -0.31 113.70 112.48 3dca s SER 123 Ca -0.04 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.58 3dca s SER 123 Cb -0.01 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3dca s SER 123 CO 0.04 -1.03 -0.12 -0.13 0.98 0.00 0.00 173.24 172.98 3dca s ARG 124 N -3.98 0.86 -0.23 4.02 1.81 0.11 -4.65 118.95 116.88 3dca s ARG 124 Ca 0.19 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.53 3dca s ARG 124 Cb 0.01 -0.83 0.09 0.00 -0.45 0.00 0.00 34.95 33.77 3dca s ARG 124 CO 0.04 0.21 0.16 -1.17 -0.68 0.00 0.00 175.30 173.86 3dca s LEU 125 N -0.89 0.23 -0.10 2.53 2.96 -1.25 0.29 118.68 122.45 3dca s LEU 125 Ca 0.01 -0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 53.15 3dca s LEU 125 Cb -0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.55 3dca s LEU 125 CO 0.01 -0.38 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.98 3dca s ILE 126 N 2.20 3.89 -0.20 6.68 1.01 0.33 -4.93 121.20 130.17 3dca s ILE 126 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3dca s ILE 126 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3dca s ILE 126 CO -0.22 0.56 0.40 -0.60 0.00 0.00 0.00 174.94 175.08 3dca s ARG 127 N -0.37 4.17 -0.02 2.79 3.52 -1.26 -1.33 118.95 126.45 3dca s ARG 127 Ca 0.06 0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.91 3dca s ARG 127 Cb -0.12 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3dca s ARG 127 CO 0.02 -0.04 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.78 3dca s LEU 128 N 1.31 2.03 -0.51 -0.88 1.02 0.80 -4.98 118.68 117.48 3dca s LEU 128 Ca 0.19 -0.34 -0.20 0.00 0.02 0.00 0.00 54.13 53.81 3dca s LEU 128 Cb -0.15 -0.96 0.06 0.00 0.02 0.00 0.00 46.19 45.16 3dca s LEU 128 CO 0.08 0.22 0.65 -1.59 0.02 0.00 0.00 176.35 175.74 3dca s LYS 129 N -0.40 3.15 0.59 1.70 0.00 -1.26 -1.20 119.74 122.32 3dca s LYS 129 Ca 0.06 -0.81 -0.19 0.00 0.00 0.00 0.00 55.97 55.03 3dca s LYS 129 Cb -0.07 -4.09 -0.04 0.00 0.00 0.00 0.00 37.83 33.63 3dca s LYS 129 CO -0.01 -1.24 1.12 -0.35 0.00 0.00 0.00 175.35 174.88 3dca n PRO 130 N 6.29 1.12 -4.54 1.78 -0.04 -1.26 -5.03 135.00 133.32 3dca n PRO 130 Ca -0.06 0.43 -0.25 0.00 -0.04 0.00 0.00 63.50 63.58 3dca n PRO 130 Cb 0.46 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 3dca n PRO 130 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dca s LEU 131 N -2.80 2.39 -0.07 1.53 1.43 -1.26 -5.08 118.68 114.81 3dca s LEU 131 Ca 0.76 -1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 3dca s LEU 131 Cb -0.41 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3dca s LEU 131 CO 0.46 -0.62 1.30 -1.59 0.23 0.00 0.00 176.35 176.13 3dca s LYS 132 N -3.81 4.29 0.00 1.70 0.00 -1.26 -5.29 119.74 115.36 3dca s LYS 132 Ca 0.32 1.78 0.00 0.00 0.00 0.00 0.00 55.97 58.07 3dca s LYS 132 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 37.83 34.26 3dca s LYS 132 CO 0.15 -0.58 0.10 -2.30 0.00 0.00 0.00 175.35 172.72