#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uso s ASP 2 N 0.00 3.72 0.33 7.83 1.01 -1.26 -4.96 116.67 123.33 1uso s ASP 2 Ca 0.00 2.10 -0.28 0.00 0.71 0.00 0.00 52.55 55.08 1uso s ASP 2 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 1uso s ASP 2 CO 0.00 -2.57 1.13 0.26 0.21 0.00 0.00 175.17 174.20 1uso s TRP 3 N -2.61 3.38 0.57 4.23 0.52 -1.26 -5.00 118.94 118.77 1uso s TRP 3 Ca 0.66 1.63 -0.17 0.00 0.02 0.00 0.00 56.10 58.24 1uso s TRP 3 Cb -0.22 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.73 1uso s TRP 3 CO 0.54 -0.85 1.08 -1.21 0.02 0.00 0.00 176.95 176.54 1uso s GLU 4 N -1.81 3.31 -0.39 4.98 2.02 0.38 -4.78 118.70 122.41 1uso s GLU 4 Ca 0.49 1.38 0.01 0.00 0.02 0.00 0.00 54.97 56.87 1uso s GLU 4 Cb -0.31 -2.02 0.11 0.00 0.10 0.00 0.00 34.13 32.01 1uso s GLU 4 CO 0.40 -0.84 0.14 -1.21 0.02 0.00 0.00 175.26 173.77 1uso s GLU 5 N -3.71 1.77 0.53 1.61 2.02 -1.26 -0.75 118.70 118.91 1uso s GLU 5 Ca 0.67 -1.93 0.01 0.00 0.02 0.00 0.00 54.97 53.74 1uso s GLU 5 Cb -0.19 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.67 1uso s GLU 5 CO 0.32 -1.02 0.76 1.03 0.02 0.00 0.00 175.26 176.37 1uso s ARG 6 N 0.89 2.66 0.42 1.61 0.52 -0.41 -4.91 118.95 119.72 1uso s ARG 6 Ca 0.10 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1uso s ARG 6 Cb -0.21 -2.49 -0.07 0.00 0.52 0.00 0.00 34.95 32.69 1uso s ARG 6 CO -0.06 -0.63 0.02 -1.21 0.02 0.00 0.00 175.30 173.44 1uso s GLU 7 N -4.73 1.99 -0.85 3.54 0.41 -1.26 -1.63 118.70 116.17 1uso s GLU 7 Ca 0.55 -2.11 -0.03 0.00 -0.41 0.00 0.00 54.97 52.97 1uso s GLU 7 Cb -0.10 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.59 1uso s GLU 7 CO 0.39 -0.07 0.65 0.09 -0.49 0.00 0.00 175.26 175.82 1uso n ASN 8 N -1.01 -5.75 -4.94 -0.19 3.02 -1.26 -4.58 115.26 100.55 1uso n ASN 8 Ca -0.06 -0.72 -0.24 0.00 -0.03 0.00 0.00 54.58 53.53 1uso n ASN 8 Cb 0.67 -2.92 0.02 0.00 -0.61 0.00 0.00 39.78 36.94 1uso n ASN 8 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1uso s PRO 9 N -4.57 3.02 0.20 3.52 0.04 -1.26 -5.09 135.00 130.86 1uso s PRO 9 Ca 0.07 -0.36 -0.31 0.00 0.04 0.00 0.00 61.00 60.43 1uso s PRO 9 Cb -0.03 -2.48 -0.11 0.00 0.04 0.00 0.00 34.50 31.92 1uso s PRO 9 CO 0.85 -0.39 1.61 0.21 0.04 0.00 0.00 177.00 179.32 1uso s LYS 10 N -4.67 4.18 0.07 4.56 2.20 -1.26 -4.83 119.74 119.99 1uso s LYS 10 Ca 0.50 2.46 -0.25 0.00 -0.36 0.00 0.00 55.97 58.32 1uso s LYS 10 Cb -0.10 -3.11 0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1uso s LYS 10 CO 0.40 -0.64 0.60 -0.98 -0.36 0.00 0.00 175.35 174.38 1uso s ARG 11 N 0.81 1.16 -0.15 4.03 1.70 -0.65 -3.62 118.95 122.24 1uso s ARG 11 Ca 0.70 -0.21 -0.15 0.00 -0.47 0.00 0.00 55.73 55.59 1uso s ARG 11 Cb -0.46 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1uso s ARG 11 CO 0.35 -0.45 0.35 -0.51 -1.08 0.00 0.00 175.30 173.95 1uso s LEU 12 N -2.14 4.26 0.00 -1.89 1.43 -0.15 -1.29 118.68 118.90 1uso s LEU 12 Ca -0.04 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1uso s LEU 12 Cb -0.01 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1uso s LEU 12 CO -0.04 0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.82 1uso s VAL 13 N 0.50 0.82 -0.17 -1.59 1.01 0.07 -0.48 120.40 120.55 1uso s VAL 13 Ca 0.20 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1uso s VAL 13 Cb -0.14 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.59 1uso s VAL 13 CO 0.06 0.17 0.45 -0.75 0.00 0.00 0.00 175.10 175.03 1uso s LYS 14 N -0.41 0.52 -0.03 2.72 2.20 -0.82 -0.47 119.74 123.45 1uso s LYS 14 Ca 0.03 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1uso s LYS 14 Cb -0.05 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1uso s LYS 14 CO -0.00 -0.07 0.02 0.95 -0.36 0.00 0.00 175.35 175.88 1uso s THR 15 N 0.35 4.32 -0.09 3.43 -4.23 -1.26 -1.01 115.64 117.14 1uso s THR 15 Ca -0.01 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1uso s THR 15 Cb -0.04 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1uso s THR 15 CO -0.01 0.43 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.94 1uso s PHE 16 N -1.05 2.31 0.07 3.99 0.40 0.41 -4.98 117.98 119.13 1uso s PHE 16 Ca 0.18 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1uso s PHE 16 Cb -0.12 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1uso s PHE 16 CO 0.09 -0.39 0.16 0.00 0.70 0.00 0.00 175.22 175.77 1uso s ALA 17 N 0.44 3.82 0.10 5.36 0.00 -1.26 -0.91 121.76 129.31 1uso s ALA 17 Ca -0.17 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1uso s ALA 17 Cb -0.17 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1uso s ALA 17 CO 0.07 0.78 0.10 -0.06 0.00 0.00 0.00 175.76 176.65 1uso s PHE 18 N -1.48 0.52 -0.93 0.00 0.40 -0.43 -4.94 117.98 111.11 1uso s PHE 18 Ca 0.33 -0.96 0.26 0.00 -0.60 0.00 0.00 56.93 55.96 1uso s PHE 18 Cb -0.13 -0.29 1.07 0.00 0.51 0.00 0.00 43.02 44.19 1uso s PHE 18 CO 0.26 -0.51 1.84 -0.35 0.70 0.00 0.00 175.22 177.15 1uso n PRO 19 N -0.04 0.05 -0.71 0.24 -0.04 -1.26 -4.18 135.00 129.06 1uso n PRO 19 Ca -0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1uso n PRO 19 Cb 0.62 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.66 0.00 -0.04 3.54 0.23 -1.26 -4.81 115.26 111.25 1uso n ASN 20 Ca 0.06 -0.57 -0.21 0.00 -0.53 0.00 0.00 54.58 53.33 1uso n ASN 20 Cb 0.33 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.57 0.25 -0.88 -2.53 3.57 -1.91 -1.03 116.94 114.98 1uso h PHE 21 Ca 0.00 -0.18 0.09 0.00 3.53 0.00 0.00 57.97 61.41 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 1.53 0.53 0.07 -2.23 0.00 0.00 178.31 178.21 1uso h ARG 22 N -0.56 0.88 -0.05 1.11 0.11 -1.98 -0.69 114.38 113.20 1uso h ARG 22 Ca -0.32 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 59.62 1uso h ARG 22 Cb 1.58 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.45 1uso h ARG 22 CO -0.05 0.58 -0.40 0.93 0.10 0.00 0.00 179.97 181.14 1uso h GLU 23 N 0.90 0.10 -0.17 0.08 5.08 -2.00 -0.08 114.58 118.50 1uso h GLU 23 Ca 0.41 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1uso h GLU 23 Cb 0.32 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uso h GLU 23 CO -0.23 0.48 -0.04 0.00 -1.00 0.00 0.00 179.01 178.23 1uso h ALA 24 N 1.51 0.23 -0.82 3.43 0.00 -1.34 -1.55 119.26 120.71 1uso h ALA 24 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1uso h ALA 24 Cb 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1uso h ALA 24 CO 0.06 -0.01 0.38 1.25 0.00 0.00 0.00 179.25 180.92 1uso h LEU 25 N 0.03 1.10 -0.62 0.00 5.85 -0.91 -0.50 115.31 120.25 1uso h LEU 25 Ca 0.04 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1uso h LEU 25 Cb 0.47 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1uso h LEU 25 CO 0.02 0.94 0.40 0.44 -0.34 0.00 0.00 178.44 179.89 1uso h ASP 26 N 1.18 0.67 -0.53 1.25 3.32 -0.87 -1.04 116.42 120.40 1uso h ASP 26 Ca 0.28 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 1uso h ASP 26 Cb 0.15 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1uso h ASP 26 CO -0.03 0.47 -0.02 0.15 -1.72 0.00 0.00 179.24 178.09 1uso h PHE 27 N 0.79 1.03 -0.84 4.55 3.57 -0.77 -2.44 116.94 122.84 1uso h PHE 27 Ca 0.24 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1uso h PHE 27 Cb -0.04 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.38 1uso h PHE 27 CO -0.04 0.95 0.54 0.00 -2.23 0.00 0.00 178.31 177.54 1uso h ALA 28 N 0.94 1.63 -0.43 2.41 0.00 -0.63 -0.45 119.26 122.74 1uso h ALA 28 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1uso h ALA 28 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1uso h ALA 28 CO 0.03 0.22 0.02 -0.91 0.00 0.00 0.00 179.25 178.62 1uso h ASN 29 N 0.87 0.65 -0.48 0.00 -0.26 -0.74 0.90 115.58 116.53 1uso h ASN 29 Ca 0.37 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.88 1uso h ASN 29 Cb 0.30 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1uso h ASN 29 CO -0.14 0.70 -0.06 0.03 -1.06 0.00 0.00 177.43 176.90 1uso h ARG 30 N 0.65 0.94 -0.45 0.81 3.08 -0.75 0.17 114.38 118.84 1uso h ARG 30 Ca 0.14 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 1uso h ARG 30 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1uso h ARG 30 CO 0.01 0.96 -0.20 0.28 -1.07 0.00 0.00 179.97 179.96 1uso h VAL 31 N 0.85 1.27 -0.73 2.04 2.07 -0.81 -1.83 116.25 119.12 1uso h VAL 31 Ca 0.15 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1uso h VAL 31 Cb 0.59 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1uso h VAL 31 CO 0.04 0.45 0.22 1.23 0.02 0.00 0.00 177.57 179.53 1uso h GLY 32 N 0.93 1.22 1.37 2.17 0.00 -0.45 0.11 103.07 108.42 1uso h GLY 32 Ca 0.11 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1uso h GLY 32 CO 0.06 0.68 -0.01 0.00 0.00 0.00 0.00 176.54 177.27 1uso h ALA 33 N 1.11 1.11 -0.43 3.60 0.00 -0.77 -1.00 119.26 122.88 1uso h ALA 33 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1uso h ALA 33 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1uso h ALA 33 CO -0.01 0.56 0.09 1.25 0.00 0.00 0.00 179.25 181.15 1uso h LEU 34 N 0.71 0.67 -0.74 0.00 5.85 -0.84 -1.41 115.31 119.55 1uso h LEU 34 Ca 0.14 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1uso h LEU 34 Cb 0.46 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1uso h LEU 34 CO 0.02 0.74 0.47 0.00 -0.34 0.00 0.00 178.44 179.34 1uso h ALA 35 N 0.95 0.97 -0.19 1.25 0.00 -0.48 -1.09 119.26 120.67 1uso h ALA 35 Ca 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1uso h ALA 35 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uso h ALA 35 CO 0.00 0.28 -0.38 0.93 0.00 0.00 0.00 179.25 180.08 1uso h GLU 36 N 0.93 0.42 -0.51 0.00 5.08 -1.01 0.23 114.58 119.71 1uso h GLU 36 Ca 0.29 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1uso h GLU 36 Cb -0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1uso h GLU 36 CO -0.10 0.74 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.48 1uso h ARG 37 N 0.35 0.95 -0.01 2.33 2.43 -0.60 -3.16 114.38 116.68 1uso h ARG 37 Ca 0.04 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1uso h ARG 37 Cb 0.83 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1uso h ARG 37 CO 0.07 1.00 -0.43 0.39 -1.51 0.00 0.00 179.97 179.49 1uso n GLU 38 N -4.23 0.61 -3.70 0.20 -0.58 -0.47 -4.98 120.64 107.50 1uso n GLU 38 Ca 0.01 -0.41 -0.23 0.00 -0.42 0.00 0.00 57.16 56.11 1uso n GLU 38 Cb 0.37 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1uso n GLU 38 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1uso n ASN 39 N -0.83 -2.32 -3.68 1.62 5.15 0.76 -4.99 115.26 110.95 1uso n ASN 39 Ca 0.09 -0.76 -0.12 0.00 -0.60 0.00 0.00 54.58 53.19 1uso n ASN 39 Cb 0.36 -4.25 -0.12 0.00 -0.53 0.00 0.00 39.78 35.25 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 -3.53 -0.50 -0.01 1.20 2.46 -0.97 -5.05 115.29 108.88 1uso s HIS 40 Ca 0.17 1.09 0.02 0.00 0.47 0.00 0.00 55.06 56.81 1uso s HIS 40 Cb -0.08 0.10 -0.03 0.00 -0.13 0.00 0.00 32.58 32.43 1uso s HIS 40 CO 0.80 -0.35 -0.04 -1.01 -2.47 0.00 0.00 174.74 171.67 1uso s HIS 41 N 2.03 2.98 0.57 3.88 3.76 -1.26 -4.45 115.29 122.79 1uso s HIS 41 Ca -0.04 0.02 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 1uso s HIS 41 Cb -0.11 -1.65 0.07 0.00 1.11 0.00 0.00 32.58 32.00 1uso s HIS 41 CO -0.10 0.41 0.78 -1.25 -0.85 0.00 0.00 174.74 173.73 1uso s PRO 42 N -1.38 2.32 -0.21 8.40 0.04 -1.26 -4.72 135.00 138.19 1uso s PRO 42 Ca 0.17 -1.36 -0.05 0.00 0.04 0.00 0.00 61.00 59.80 1uso s PRO 42 Cb -0.11 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1uso s PRO 42 CO 0.08 -0.83 0.00 0.50 0.04 0.00 0.00 177.00 176.79 1uso s ARG 43 N -4.70 3.57 -0.11 4.56 3.52 -0.44 -4.95 118.95 120.41 1uso s ARG 43 Ca 0.61 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1uso s ARG 43 Cb -0.07 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1uso s ARG 43 CO 0.39 -0.06 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.22 1uso s LEU 44 N 1.20 3.05 -0.20 -0.88 1.43 -1.26 -1.35 118.68 120.66 1uso s LEU 44 Ca 0.03 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1uso s LEU 44 Cb -0.15 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1uso s LEU 44 CO 0.01 0.26 -0.17 -0.89 0.23 0.00 0.00 176.35 175.79 1uso s THR 45 N -0.20 2.08 -0.13 5.49 2.01 -0.36 -4.96 115.64 119.56 1uso s THR 45 Ca 0.02 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 1uso s THR 45 Cb -0.13 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1uso s THR 45 CO 0.03 0.35 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.49 1uso s VAL 46 N 1.24 2.98 0.28 3.82 1.01 -1.26 -0.66 120.40 127.80 1uso s VAL 46 Ca 0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1uso s VAL 46 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1uso s VAL 46 CO -0.10 0.52 0.53 -1.83 0.00 0.00 0.00 175.10 174.22 1uso s GLU 47 N 0.42 1.71 0.06 2.72 -1.05 -0.72 -5.04 118.70 116.79 1uso s GLU 47 Ca -0.10 -1.33 -0.34 0.00 -0.15 0.00 0.00 54.97 53.05 1uso s GLU 47 Cb -0.16 0.50 -0.13 0.00 -0.44 0.00 0.00 34.13 33.90 1uso s GLU 47 CO 0.05 -0.73 1.71 1.87 0.95 0.00 0.00 175.26 179.12 1uso n TRP 48 N -0.44 2.32 -0.93 4.83 -0.00 -1.26 -1.91 117.44 120.05 1uso n TRP 48 Ca -0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1uso n TRP 48 Cb 0.61 -2.60 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 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 3.86 0.59 3.55 5.87 0.00 -0.39 -4.90 105.19 113.77 1uso n GLY 49 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.36 0.90 -0.09 1.61 3.52 -0.80 -1.31 118.95 122.41 1uso s ARG 50 Ca 0.00 0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1uso s ARG 50 Cb 0.00 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1uso s ARG 50 CO 0.00 -0.26 -0.10 0.08 -0.81 0.00 0.00 175.30 174.21 1uso s VAL 51 N -0.92 1.09 -0.18 7.11 1.01 -0.09 -1.76 120.40 126.66 1uso s VAL 51 Ca -0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1uso s VAL 51 Cb -0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1uso s VAL 51 CO 0.06 0.36 0.03 -0.89 0.00 0.00 0.00 175.10 174.66 1uso s THR 52 N 1.22 4.39 -0.15 3.92 2.01 0.16 -0.45 115.64 126.74 1uso s THR 52 Ca -0.04 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1uso s THR 52 Cb -0.14 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1uso s THR 52 CO -0.03 0.46 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.55 1uso s VAL 53 N 0.53 3.06 -0.10 3.82 1.01 -0.18 -1.22 120.40 127.31 1uso s VAL 53 Ca 0.01 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1uso s VAL 53 Cb -0.13 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1uso s VAL 53 CO 0.02 0.50 -0.17 -1.61 0.00 0.00 0.00 175.10 173.84 1uso s GLU 54 N 0.66 2.32 -0.17 2.72 2.02 -0.46 -1.94 118.70 123.86 1uso s GLU 54 Ca -0.06 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1uso s GLU 54 Cb -0.15 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1uso s GLU 54 CO 0.02 -0.00 -0.15 -1.58 0.02 0.00 0.00 175.26 173.57 1uso s TRP 55 N 0.81 2.80 0.09 1.61 0.52 0.36 -1.33 118.94 123.80 1uso s TRP 55 Ca -0.10 -1.20 -0.25 0.00 0.02 0.00 0.00 56.10 54.57 1uso s TRP 55 Cb -0.16 -1.92 0.08 0.00 -1.15 0.00 0.00 33.47 30.32 1uso s TRP 55 CO 0.01 -0.58 0.68 1.67 0.02 0.00 0.00 176.95 178.75 1uso s TRP 56 N 1.03 -0.51 -0.44 -1.98 -2.14 -1.26 -0.98 118.94 112.65 1uso s TRP 56 Ca -0.01 0.40 -0.17 0.00 2.66 0.00 0.00 56.10 58.98 1uso s TRP 56 Cb -0.15 0.54 0.04 0.00 -3.10 0.00 0.00 33.47 30.80 1uso s TRP 56 CO -0.04 -0.75 0.43 0.99 -2.66 0.00 0.00 176.95 174.92 1uso s THR 57 N -3.27 5.12 0.15 0.66 2.01 0.11 -4.94 115.64 115.47 1uso s THR 57 Ca 0.00 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1uso s THR 57 Cb -0.01 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.45 1uso s THR 57 CO -0.09 -0.49 1.69 0.45 -0.69 0.00 0.00 174.62 175.49 1uso h HIS 58 N 8.75 -0.12 0.00 4.92 -0.00 -1.95 -0.11 115.15 126.64 1uso h HIS 58 Ca -0.27 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1uso h HIS 58 Cb 1.11 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1uso h HIS 58 CO 0.63 -0.11 0.00 0.66 -0.00 0.00 0.00 177.93 179.11 1uso h SER 59 N 0.02 0.00 0.00 2.45 4.64 -1.94 -1.97 113.55 116.74 1uso h SER 59 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1uso h SER 59 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1uso h SER 59 CO -0.29 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.09 1uso n ALA 60 N -1.96 3.50 -1.18 5.18 0.00 -0.51 -4.98 120.51 120.56 1uso n ALA 60 Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1uso n ALA 60 Cb 0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 1.37 0.83 0.00 0.00 0.00 -0.17 -4.91 105.19 102.31 1uso n GLY 61 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.80 1.55 3.83 -0.02 0.00 -1.13 -4.32 105.19 103.30 1uso n GLY 62 Ca -0.06 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.36 4.94 0.36 1.61 1.01 -1.24 0.06 120.40 124.79 1uso s VAL 63 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1uso s VAL 63 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1uso s VAL 63 CO 0.00 0.54 0.08 0.42 0.00 0.00 0.00 175.10 176.14 1uso s THR 64 N -1.12 1.00 0.38 3.92 -4.23 -1.26 -4.93 115.64 109.39 1uso s THR 64 Ca 0.26 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.87 1uso s THR 64 Cb -0.17 -2.61 0.32 0.00 1.34 0.00 0.00 72.50 71.38 1uso s THR 64 CO 0.15 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.08 1uso h GLU 65 N 1.96 0.60 -0.73 3.99 4.81 -2.00 -0.78 114.58 122.42 1uso h GLU 65 Ca -0.39 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1uso h GLU 65 Cb 1.26 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1uso h GLU 65 CO 0.66 0.40 0.48 -0.22 -0.73 0.00 0.00 179.01 179.60 1uso h LYS 66 N 0.62 0.86 -0.56 1.92 1.63 -1.99 -1.04 116.57 118.02 1uso h LYS 66 Ca 0.36 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.05 1uso h LYS 66 Cb 0.55 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1uso h LYS 66 CO -0.13 0.57 0.11 -0.44 -3.45 0.00 0.00 179.45 176.11 1uso h ASP 67 N 0.88 0.86 -0.27 4.20 3.32 -1.51 0.09 116.42 123.99 1uso h ASP 67 Ca 0.29 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1uso h ASP 67 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1uso h ASP 67 CO -0.08 0.89 -0.06 0.03 -1.72 0.00 0.00 179.24 178.29 1uso h ARG 68 N 0.80 0.64 -0.43 3.56 3.08 -1.24 -1.25 114.38 119.55 1uso h ARG 68 Ca 0.17 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1uso h ARG 68 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1uso h ARG 68 CO 0.01 0.71 -0.12 0.93 -1.07 0.00 0.00 179.97 180.43 1uso h GLU 69 N 0.60 0.84 -0.36 0.04 5.08 -0.77 -2.38 114.58 117.63 1uso h GLU 69 Ca 0.11 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1uso h GLU 69 Cb 0.47 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1uso h GLU 69 CO 0.02 0.96 -0.08 0.52 -1.00 0.00 0.00 179.01 179.43 1uso h MET 70 N 0.67 0.61 -0.48 2.33 2.86 -0.69 -0.96 114.93 119.27 1uso h MET 70 Ca 0.11 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1uso h MET 70 Cb 0.65 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1uso h MET 70 CO 0.04 0.69 0.25 0.00 1.06 0.00 0.00 176.91 178.95 1uso h ALA 71 N 1.35 0.61 -0.57 6.32 0.00 -1.06 0.18 119.26 126.09 1uso h ALA 71 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1uso h ALA 71 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1uso h ALA 71 CO 0.03 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.47 1uso h ARG 72 N 0.63 0.98 -0.01 0.00 3.08 -1.03 -1.96 114.38 116.07 1uso h ARG 72 Ca 0.17 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1uso h ARG 72 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1uso h ARG 72 CO -0.02 0.96 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.45 1uso h LEU 73 N 0.87 0.01 -0.31 3.04 3.38 -0.90 -1.20 115.31 120.20 1uso h LEU 73 Ca 0.17 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1uso h LEU 73 Cb 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1uso h LEU 73 CO 0.02 0.33 -0.16 0.74 0.09 0.00 0.00 178.44 179.46 1uso h THR 74 N 0.01 1.29 -0.56 0.22 2.02 -0.53 -2.81 112.91 112.54 1uso h THR 74 Ca -0.00 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 1uso h THR 74 Cb 0.56 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1uso h THR 74 CO 0.04 0.41 0.22 0.44 0.37 0.00 0.00 175.52 177.00 1uso h ASP 75 N 0.41 0.75 0.44 4.18 3.32 -0.90 -2.01 116.42 122.61 1uso h ASP 75 Ca 0.07 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1uso h ASP 75 Cb 0.69 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uso h ASP 75 CO 0.05 0.68 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1uso n ALA 76 N -2.45 1.52 -0.06 3.45 0.00 -0.50 -2.61 120.51 119.86 1uso n ALA 76 Ca 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1uso n ALA 76 Cb 0.17 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.52 1uso n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uso h LEU 77 N 0.00 0.70 0.37 0.00 3.38 -1.19 -3.32 115.31 115.26 1uso h LEU 77 Ca 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1uso h LEU 77 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1uso h LEU 77 CO 0.00 0.88 -0.18 -0.07 0.09 0.00 0.00 178.44 179.17 1uso h LEU 78 N 0.62 -0.42 0.00 1.67 3.38 -1.67 -3.53 115.31 115.37 1uso h LEU 78 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1uso h LEU 78 Cb 0.66 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1uso h LEU 78 CO 0.05 -0.16 0.00 1.67 0.09 0.00 0.00 178.44 180.09