#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uso s TRP 3 N 0.00 3.32 0.57 2.11 0.52 -1.26 -5.02 118.94 119.18 1uso s TRP 3 Ca 0.00 1.65 -0.19 0.00 0.02 0.00 0.00 56.10 57.59 1uso s TRP 3 Cb 0.00 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.25 1uso s TRP 3 CO 0.00 -0.40 1.13 -1.21 0.02 0.00 0.00 176.95 176.50 1uso s GLU 4 N -2.65 3.20 -0.25 4.98 2.02 -0.65 -4.79 118.70 120.57 1uso s GLU 4 Ca 0.58 1.59 0.01 0.00 0.02 0.00 0.00 54.97 57.18 1uso s GLU 4 Cb -0.18 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.11 1uso s GLU 4 CO 0.23 -0.97 -0.09 -2.00 0.02 0.00 0.00 175.26 172.45 1uso s GLU 5 N -3.44 2.53 0.43 1.61 2.12 -1.26 -0.58 118.70 120.10 1uso s GLU 5 Ca 0.72 -1.17 0.08 0.00 0.36 0.00 0.00 54.97 54.97 1uso s GLU 5 Cb -0.24 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.23 1uso s GLU 5 CO 0.30 -0.49 0.55 1.03 -0.54 0.00 0.00 175.26 176.11 1uso s ARG 6 N 1.21 2.76 0.35 4.30 0.52 -0.09 -4.92 118.95 123.09 1uso s ARG 6 Ca -0.04 -1.30 0.07 0.00 -0.52 0.00 0.00 55.73 53.93 1uso s ARG 6 Cb -0.18 -2.69 -0.07 0.00 0.52 0.00 0.00 34.95 32.53 1uso s ARG 6 CO -0.05 -0.28 -0.01 -1.21 0.02 0.00 0.00 175.30 173.76 1uso s GLU 7 N -4.33 1.77 -0.86 3.54 0.41 -1.26 -1.38 118.70 116.59 1uso s GLU 7 Ca 0.54 -1.96 -0.05 0.00 -0.41 0.00 0.00 54.97 53.09 1uso s GLU 7 Cb -0.09 -1.37 -0.00 0.00 -1.78 0.00 0.00 34.13 30.89 1uso s GLU 7 CO 0.32 -0.03 0.69 -1.71 -0.49 0.00 0.00 175.26 174.04 1uso n ASN 8 N -0.79 -6.14 -4.93 -0.19 5.15 -1.26 -4.59 115.26 102.52 1uso n ASN 8 Ca -0.04 -0.63 -0.25 0.00 -0.60 0.00 0.00 54.58 53.06 1uso n ASN 8 Cb 0.65 -3.51 0.01 0.00 -0.53 0.00 0.00 39.78 36.41 1uso n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1uso s PRO 9 N -4.40 3.23 0.22 1.20 0.04 -1.26 -5.09 135.00 128.93 1uso s PRO 9 Ca 0.11 -0.19 -0.31 0.00 0.04 0.00 0.00 61.00 60.65 1uso s PRO 9 Cb -0.04 -2.47 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1uso s PRO 9 CO 0.83 -0.27 1.60 0.21 0.04 0.00 0.00 177.00 179.41 1uso s LYS 10 N -4.65 4.18 0.08 4.56 2.20 -1.26 -4.83 119.74 120.02 1uso s LYS 10 Ca 0.48 2.47 -0.26 0.00 -0.36 0.00 0.00 55.97 58.30 1uso s LYS 10 Cb -0.10 -3.10 0.07 0.00 -1.51 0.00 0.00 37.83 33.20 1uso s LYS 10 CO 0.41 -0.63 0.66 -0.98 -0.36 0.00 0.00 175.35 174.45 1uso s ARG 11 N 0.58 1.16 -0.10 4.03 1.70 -0.48 -3.67 118.95 122.17 1uso s ARG 11 Ca 0.68 -0.24 -0.16 0.00 -0.47 0.00 0.00 55.73 55.55 1uso s ARG 11 Cb -0.46 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 1uso s ARG 11 CO 0.37 -0.47 0.40 -0.51 -1.08 0.00 0.00 175.30 174.01 1uso s LEU 12 N -2.25 4.32 0.00 -1.89 1.43 -0.25 -0.91 118.68 119.13 1uso s LEU 12 Ca -0.02 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1uso s LEU 12 Cb -0.01 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 1uso s LEU 12 CO -0.06 0.12 -0.07 -0.69 0.23 0.00 0.00 176.35 175.88 1uso s VAL 13 N 0.12 0.53 -0.16 -1.59 1.01 0.25 -0.53 120.40 120.03 1uso s VAL 13 Ca 0.22 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1uso s VAL 13 Cb -0.15 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 35.81 1uso s VAL 13 CO 0.09 0.06 0.52 -0.75 0.00 0.00 0.00 175.10 175.03 1uso s LYS 14 N -0.39 0.68 -0.10 2.72 2.20 -0.79 -1.63 119.74 122.43 1uso s LYS 14 Ca 0.01 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1uso s LYS 14 Cb -0.04 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1uso s LYS 14 CO -0.00 -0.12 -0.09 0.95 -0.36 0.00 0.00 175.35 175.73 1uso s THR 15 N -0.09 3.48 -0.10 3.43 -4.23 -1.26 -0.91 115.64 115.96 1uso s THR 15 Ca -0.03 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1uso s THR 15 Cb -0.03 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1uso s THR 15 CO 0.02 0.55 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.15 1uso s PHE 16 N -0.24 2.74 0.11 3.99 0.40 0.40 -4.96 117.98 120.41 1uso s PHE 16 Ca 0.03 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.84 1uso s PHE 16 Cb -0.13 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1uso s PHE 16 CO 0.03 -0.12 0.11 0.00 0.70 0.00 0.00 175.22 175.93 1uso s ALA 17 N 0.02 3.59 0.11 5.36 0.00 -1.26 -0.69 121.76 128.89 1uso s ALA 17 Ca -0.05 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 1uso s ALA 17 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1uso s ALA 17 CO 0.04 0.67 0.12 -0.06 0.00 0.00 0.00 175.76 176.54 1uso s PHE 18 N -1.51 0.50 -0.85 0.00 0.40 -0.48 -4.93 117.98 111.11 1uso s PHE 18 Ca 0.30 -0.93 0.24 0.00 -0.60 0.00 0.00 56.93 55.94 1uso s PHE 18 Cb -0.12 -0.26 0.96 0.00 0.51 0.00 0.00 43.02 44.11 1uso s PHE 18 CO 0.23 -0.54 1.76 -0.35 0.70 0.00 0.00 175.22 177.01 1uso n PRO 19 N -0.07 0.10 -0.70 0.24 -0.04 -1.26 -4.10 135.00 129.17 1uso n PRO 19 Ca -0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1uso n PRO 19 Cb 0.63 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1uso n PRO 19 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1uso n ASN 20 N -1.80 0.00 -0.03 3.54 0.23 -1.26 -4.81 115.26 111.12 1uso n ASN 20 Ca 0.05 -0.55 -0.22 0.00 -0.53 0.00 0.00 54.58 53.33 1uso n ASN 20 Cb 0.31 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.88 1uso n ASN 20 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1uso h PHE 21 N 0.55 0.31 -0.89 -2.53 3.57 -1.91 -1.38 116.94 114.66 1uso h PHE 21 Ca 0.00 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.36 1uso h PHE 21 Cb 0.00 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 1uso h PHE 21 CO 0.00 1.65 0.54 0.07 -2.23 0.00 0.00 178.31 178.34 1uso h ARG 22 N -0.37 0.90 -0.03 1.11 0.11 -1.98 -0.97 114.38 113.15 1uso h ARG 22 Ca -0.38 -0.05 -0.11 0.00 0.10 0.00 0.00 59.98 59.53 1uso h ARG 22 Cb 1.73 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.59 1uso h ARG 22 CO -0.02 0.60 -0.50 0.93 0.10 0.00 0.00 179.97 181.07 1uso h GLU 23 N 0.93 0.08 -0.20 0.08 5.08 -2.00 -1.16 114.58 117.40 1uso h GLU 23 Ca 0.41 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1uso h GLU 23 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1uso h GLU 23 CO -0.22 0.57 -0.04 0.00 -1.00 0.00 0.00 179.01 178.32 1uso h ALA 24 N 1.42 0.27 -0.59 3.43 0.00 -1.36 -2.06 119.26 120.38 1uso h ALA 24 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1uso h ALA 24 Cb 0.92 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1uso h ALA 24 CO 0.07 0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.76 1uso h LEU 25 N 0.10 0.86 -0.54 0.00 5.85 -1.06 -0.92 115.31 119.61 1uso h LEU 25 Ca 0.05 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1uso h LEU 25 Cb 0.49 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1uso h LEU 25 CO 0.02 0.84 0.30 0.44 -0.34 0.00 0.00 178.44 179.70 1uso h ASP 26 N 0.89 0.46 -0.48 1.25 3.32 -1.05 -1.25 116.42 119.56 1uso h ASP 26 Ca 0.19 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1uso h ASP 26 Cb 0.32 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1uso h ASP 26 CO -0.00 0.32 0.12 0.15 -1.72 0.00 0.00 179.24 178.11 1uso h PHE 27 N 0.59 0.81 -0.64 4.55 3.57 -0.85 -2.55 116.94 122.41 1uso h PHE 27 Ca 0.23 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1uso h PHE 27 Cb 0.08 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1uso h PHE 27 CO -0.08 0.73 0.43 0.00 -2.23 0.00 0.00 178.31 177.16 1uso h ALA 28 N 0.98 1.85 -0.20 2.41 0.00 -0.65 -0.72 119.26 122.94 1uso h ALA 28 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1uso h ALA 28 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1uso h ALA 28 CO 0.00 0.03 -0.32 -0.91 0.00 0.00 0.00 179.25 178.05 1uso h ASN 29 N 0.57 0.41 -0.39 0.00 2.35 -0.84 0.11 115.58 117.79 1uso h ASN 29 Ca 0.29 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1uso h ASN 29 Cb 0.38 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1uso h ASN 29 CO -0.09 0.71 -0.23 0.03 -1.65 0.00 0.00 177.43 176.20 1uso h ARG 30 N 0.35 0.90 -0.51 0.81 3.08 -0.92 -0.24 114.38 117.85 1uso h ARG 30 Ca 0.04 -0.38 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 1uso h ARG 30 Cb 0.73 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1uso h ARG 30 CO 0.06 1.04 -0.14 0.28 -1.07 0.00 0.00 179.97 180.14 1uso h VAL 31 N 0.78 1.27 -0.82 2.04 2.07 -0.95 -2.32 116.25 118.32 1uso h VAL 31 Ca 0.10 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1uso h VAL 31 Cb 0.79 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1uso h VAL 31 CO 0.07 0.45 0.36 1.23 0.02 0.00 0.00 177.57 179.69 1uso h GLY 32 N 0.94 1.29 1.02 2.17 0.00 -0.50 -0.97 103.07 107.01 1uso h GLY 32 Ca 0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1uso h GLY 32 CO 0.05 0.64 0.25 0.00 0.00 0.00 0.00 176.54 177.48 1uso h ALA 33 N 1.19 0.89 -0.58 3.60 0.00 -0.84 -0.61 119.26 122.91 1uso h ALA 33 Ca 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uso h ALA 33 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1uso h ALA 33 CO -0.03 0.53 0.36 1.25 0.00 0.00 0.00 179.25 181.36 1uso h LEU 34 N 0.98 0.70 -0.69 0.00 5.85 -1.01 -1.53 115.31 119.60 1uso h LEU 34 Ca 0.22 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1uso h LEU 34 Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1uso h LEU 34 CO -0.01 0.55 0.36 0.00 -0.34 0.00 0.00 178.44 179.00 1uso h ALA 35 N 1.18 0.89 -0.54 1.25 0.00 -0.67 -1.55 119.26 119.82 1uso h ALA 35 Ca 0.21 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1uso h ALA 35 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1uso h ALA 35 CO -0.04 0.42 -0.13 0.93 0.00 0.00 0.00 179.25 180.43 1uso h GLU 36 N 0.95 1.04 -0.48 0.00 5.08 -0.83 0.11 114.58 120.44 1uso h GLU 36 Ca 0.24 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1uso h GLU 36 Cb 0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1uso h GLU 36 CO -0.04 1.09 -0.13 0.00 -1.00 0.00 0.00 179.01 178.93 1uso h ARG 37 N 0.91 0.91 0.00 2.33 2.47 -1.07 -3.01 114.38 116.91 1uso h ARG 37 Ca 0.14 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1uso h ARG 37 Cb 0.70 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1uso h ARG 37 CO 0.05 0.98 -0.27 0.93 0.56 0.00 0.00 179.97 182.22 1uso h GLU 38 N 0.81 0.00 -5.64 0.04 4.39 -1.16 -3.48 114.58 109.54 1uso h GLU 38 Ca 0.13 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.46 1uso h GLU 38 Cb 0.66 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.45 1uso h GLU 38 CO 0.05 0.00 -0.69 -1.71 -1.16 0.00 0.00 179.01 175.50 1uso n ASN 39 N -2.25 -4.85 -3.71 1.42 5.15 0.33 -5.01 115.26 106.36 1uso n ASN 39 Ca 0.04 -0.55 -0.14 0.00 -0.60 0.00 0.00 54.58 53.33 1uso n ASN 39 Cb 0.44 -4.92 -0.14 0.00 -0.53 0.00 0.00 39.78 34.63 1uso n ASN 39 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1uso s HIS 40 N -3.32 -0.23 -0.07 1.20 2.46 -0.94 -5.06 115.29 109.34 1uso s HIS 40 Ca 0.38 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.57 1uso s HIS 40 Cb -0.17 -0.11 -0.03 0.00 -0.13 0.00 0.00 32.58 32.14 1uso s HIS 40 CO 0.71 -0.24 -0.10 -1.01 -2.47 0.00 0.00 174.74 171.63 1uso s HIS 41 N 1.72 2.85 0.64 3.88 3.76 -1.26 -4.47 115.29 122.41 1uso s HIS 41 Ca -0.04 -0.08 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1uso s HIS 41 Cb -0.12 -1.70 0.10 0.00 1.11 0.00 0.00 32.58 31.98 1uso s HIS 41 CO -0.07 0.25 0.89 -1.25 -0.85 0.00 0.00 174.74 173.70 1uso s PRO 42 N -0.69 2.02 -0.20 8.40 0.04 -1.26 -4.69 135.00 138.61 1uso s PRO 42 Ca 0.10 -1.24 -0.04 0.00 0.04 0.00 0.00 61.00 59.86 1uso s PRO 42 Cb -0.11 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1uso s PRO 42 CO 0.01 -1.13 -0.02 0.50 0.04 0.00 0.00 177.00 176.41 1uso s ARG 43 N -4.92 3.53 -0.11 4.56 3.52 -0.43 -4.95 118.95 120.16 1uso s ARG 43 Ca 0.63 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1uso s ARG 43 Cb -0.06 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1uso s ARG 43 CO 0.41 -0.05 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.24 1uso s LEU 44 N 1.14 2.92 -0.21 -0.88 1.43 -1.26 -1.43 118.68 120.40 1uso s LEU 44 Ca 0.02 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1uso s LEU 44 Cb -0.14 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1uso s LEU 44 CO 0.01 0.24 -0.16 -0.89 0.23 0.00 0.00 176.35 175.78 1uso s THR 45 N -0.06 2.27 -0.11 5.49 2.01 -0.31 -4.96 115.64 119.95 1uso s THR 45 Ca -0.01 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1uso s THR 45 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1uso s THR 45 CO 0.03 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 1uso s VAL 46 N 1.27 2.74 0.30 3.82 1.01 -1.26 -0.77 120.40 127.51 1uso s VAL 46 Ca 0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1uso s VAL 46 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1uso s VAL 46 CO -0.10 0.54 0.60 -1.83 0.00 0.00 0.00 175.10 174.31 1uso s GLU 47 N 0.24 1.82 0.02 2.72 -1.05 -0.68 -5.04 118.70 116.73 1uso s GLU 47 Ca -0.11 -1.33 -0.35 0.00 -0.15 0.00 0.00 54.97 53.03 1uso s GLU 47 Cb -0.16 0.53 -0.14 0.00 -0.44 0.00 0.00 34.13 33.92 1uso s GLU 47 CO 0.06 -0.80 1.63 1.87 0.95 0.00 0.00 175.26 178.97 1uso n TRP 48 N -0.47 2.09 -0.93 4.83 -0.00 -1.26 -1.75 117.44 119.95 1uso n TRP 48 Ca -0.03 0.32 0.00 0.00 -0.00 0.00 0.00 57.50 57.78 1uso n TRP 48 Cb 0.61 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 1uso n TRP 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1uso n GLY 49 N 3.59 0.34 3.57 5.87 0.00 -0.52 -4.92 105.19 113.13 1uso n GLY 49 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1uso n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uso s ARG 50 N -0.80 0.84 -0.10 1.61 3.52 -0.72 -1.38 118.95 121.92 1uso s ARG 50 Ca 0.00 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1uso s ARG 50 Cb 0.00 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 1uso s ARG 50 CO 0.00 -0.21 -0.09 0.08 -0.81 0.00 0.00 175.30 174.27 1uso s VAL 51 N -0.62 1.06 -0.18 7.11 1.01 0.14 -1.68 120.40 127.24 1uso s VAL 51 Ca -0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1uso s VAL 51 Cb -0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1uso s VAL 51 CO 0.04 0.37 0.04 -0.89 0.00 0.00 0.00 175.10 174.66 1uso s THR 52 N 1.41 4.61 -0.14 3.92 2.01 0.05 -0.45 115.64 127.05 1uso s THR 52 Ca -0.00 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1uso s THR 52 Cb -0.13 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1uso s THR 52 CO -0.05 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.51 1uso s VAL 53 N 0.35 2.80 -0.10 3.82 1.01 -0.08 -1.17 120.40 127.02 1uso s VAL 53 Ca 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1uso s VAL 53 Cb -0.13 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1uso s VAL 53 CO 0.01 0.52 -0.15 -1.61 0.00 0.00 0.00 175.10 173.87 1uso s GLU 54 N 0.53 2.19 -0.13 2.72 2.02 -0.51 -1.89 118.70 123.63 1uso s GLU 54 Ca -0.10 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.35 1uso s GLU 54 Cb -0.16 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1uso s GLU 54 CO 0.04 -0.04 -0.17 -1.58 0.02 0.00 0.00 175.26 173.53 1uso s TRP 55 N 0.91 2.73 -0.05 1.61 0.52 0.31 -1.31 118.94 123.65 1uso s TRP 55 Ca -0.08 -0.84 -0.29 0.00 0.02 0.00 0.00 56.10 54.90 1uso s TRP 55 Cb -0.15 -1.81 0.11 0.00 -1.15 0.00 0.00 33.47 30.46 1uso s TRP 55 CO -0.00 -0.32 0.91 1.67 0.02 0.00 0.00 176.95 179.23 1uso s TRP 56 N 0.43 -0.36 -0.38 -1.98 -2.14 -1.26 -1.09 118.94 112.16 1uso s TRP 56 Ca -0.12 0.37 -0.17 0.00 2.66 0.00 0.00 56.10 58.84 1uso s TRP 56 Cb -0.16 0.51 0.00 0.00 -3.10 0.00 0.00 33.47 30.72 1uso s TRP 56 CO 0.06 -0.48 0.42 0.99 -2.66 0.00 0.00 176.95 175.28 1uso s THR 57 N -2.45 5.10 0.16 0.66 2.01 0.15 -4.90 115.64 116.36 1uso s THR 57 Ca 0.02 -0.06 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 1uso s THR 57 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1uso s THR 57 CO -0.05 -0.26 1.81 0.45 -0.69 0.00 0.00 174.62 175.88 1uso h HIS 58 N 8.58 0.49 -0.15 4.92 -0.00 -1.95 0.29 115.15 127.33 1uso h HIS 58 Ca -0.28 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.15 1uso h HIS 58 Cb 1.13 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 1uso h HIS 58 CO 0.67 0.30 0.20 0.66 -0.00 0.00 0.00 177.93 179.75 1uso h SER 59 N 0.52 0.00 0.00 2.45 4.64 -1.94 -0.98 113.55 118.24 1uso h SER 59 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1uso h SER 59 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1uso h SER 59 CO -0.05 0.00 -1.01 0.00 -0.87 0.00 0.00 176.83 174.90 1uso n ALA 60 N -2.26 3.30 -1.70 5.18 0.00 -0.88 -4.98 120.51 119.16 1uso n ALA 60 Ca 0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1uso n ALA 60 Cb 0.31 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 1uso n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uso n GLY 61 N 1.47 0.91 0.00 0.00 0.00 0.98 -4.92 105.19 103.63 1uso n GLY 61 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1uso n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uso n GLY 62 N -1.17 2.06 3.79 -0.02 0.00 -0.96 -4.39 105.19 104.51 1uso n GLY 62 Ca -0.15 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1uso n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uso s VAL 63 N -2.80 4.84 0.26 1.61 1.01 -1.24 0.30 120.40 124.37 1uso s VAL 63 Ca 0.00 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.17 1uso s VAL 63 Cb 0.00 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1uso s VAL 63 CO 0.00 0.51 0.06 0.42 0.00 0.00 0.00 175.10 176.09 1uso s THR 64 N -0.75 0.80 0.41 3.92 -4.23 -1.26 -4.93 115.64 109.60 1uso s THR 64 Ca 0.29 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.99 1uso s THR 64 Cb -0.19 -2.57 0.40 0.00 1.34 0.00 0.00 72.50 71.49 1uso s THR 64 CO 0.17 -0.10 1.78 -0.08 -0.54 0.00 0.00 174.62 175.86 1uso h GLU 65 N 2.37 0.35 0.00 3.99 4.57 -2.02 -0.48 114.58 123.35 1uso h GLU 65 Ca -0.39 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1uso h GLU 65 Cb 1.24 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1uso h GLU 65 CO 0.64 0.23 -0.09 -0.22 -1.18 0.00 0.00 179.01 178.38 1uso h LYS 66 N 0.36 0.00 -0.47 1.92 3.64 -2.00 -2.62 116.57 117.39 1uso h LYS 66 Ca 0.58 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1uso h LYS 66 Cb 1.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.34 1uso h LYS 66 CO -0.26 0.09 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.46 1uso h ASP 67 N 0.00 0.92 -0.52 4.20 3.32 -1.46 -1.65 116.42 121.23 1uso h ASP 67 Ca -0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 1uso h ASP 67 Cb 0.17 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1uso h ASP 67 CO 0.01 1.08 0.12 0.03 -1.72 0.00 0.00 179.24 178.76 1uso h ARG 68 N 0.76 0.89 -0.33 3.56 3.08 -1.56 -1.66 114.38 119.12 1uso h ARG 68 Ca 0.12 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1uso h ARG 68 Cb 0.67 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1uso h ARG 68 CO 0.05 0.81 -0.14 1.49 -1.07 0.00 0.00 179.97 181.10 1uso h GLU 69 N 0.85 0.69 -0.35 0.04 4.81 -1.39 -2.61 114.58 116.62 1uso h GLU 69 Ca 0.18 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1uso h GLU 69 Cb 0.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1uso h GLU 69 CO 0.00 0.89 0.09 0.52 -0.73 0.00 0.00 179.01 179.78 1uso h MET 70 N 0.46 0.52 -0.39 1.92 2.86 -1.05 -0.63 114.93 118.61 1uso h MET 70 Ca 0.08 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1uso h MET 70 Cb 0.67 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1uso h MET 70 CO 0.05 0.48 0.14 0.00 1.06 0.00 0.00 176.91 178.63 1uso h ALA 71 N 1.59 0.51 -0.46 6.32 0.00 -1.13 0.18 119.26 126.28 1uso h ALA 71 Ca 0.12 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1uso h ALA 71 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uso h ALA 71 CO -0.00 0.14 -0.12 0.00 0.00 0.00 0.00 179.25 179.26 1uso h ARG 72 N 0.49 0.85 -0.17 0.00 3.08 -1.04 -1.97 114.38 115.61 1uso h ARG 72 Ca 0.13 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 1uso h ARG 72 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1uso h ARG 72 CO -0.01 0.92 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.48 1uso h LEU 73 N 0.76 0.31 -0.24 3.04 3.38 -0.89 -1.60 115.31 120.07 1uso h LEU 73 Ca 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1uso h LEU 73 Cb 0.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1uso h LEU 73 CO 0.04 0.57 0.02 0.74 0.09 0.00 0.00 178.44 179.91 1uso h THR 74 N 0.27 1.24 -0.52 0.22 2.02 -0.54 -2.84 112.91 112.77 1uso h THR 74 Ca 0.04 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1uso h THR 74 Cb 0.62 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1uso h THR 74 CO 0.04 0.25 0.25 0.44 0.37 0.00 0.00 175.52 176.88 1uso h ASP 75 N 0.19 0.65 -0.01 4.18 3.32 -1.05 -2.25 116.42 121.45 1uso h ASP 75 Ca 0.07 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1uso h ASP 75 Cb 0.36 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1uso h ASP 75 CO 0.01 0.56 0.01 0.00 -1.72 0.00 0.00 179.24 178.10 1uso h ALA 76 N 1.55 1.83 -0.55 3.45 0.00 -1.06 -1.63 119.26 122.85 1uso h ALA 76 Ca 0.18 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1uso h ALA 76 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1uso h ALA 76 CO -0.02 -0.02 0.38 -0.07 0.00 0.00 0.00 179.25 179.51 1uso h LEU 77 N 0.00 0.22 0.40 0.00 3.38 -1.30 -2.80 115.31 115.21 1uso h LEU 77 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1uso h LEU 77 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uso h LEU 77 CO -0.00 0.13 -0.19 -0.07 0.09 0.00 0.00 178.44 178.40 1uso h LEU 78 N 0.24 -0.45 0.00 1.67 3.38 -1.45 -3.53 115.31 115.17 1uso h LEU 78 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1uso h LEU 78 Cb 0.70 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uso h LEU 78 CO -0.05 -0.02 0.00 1.67 0.09 0.00 0.00 178.44 180.13