#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osq s LEU 8 N 0.00 2.16 0.52 -1.84 0.05 -1.26 -4.64 118.68 113.66 2osq s LEU 8 Ca 0.00 0.57 0.04 0.00 0.05 0.00 0.00 54.13 54.78 2osq s LEU 8 Cb 0.00 -2.69 0.01 0.00 -2.05 0.00 0.00 46.19 41.46 2osq s LEU 8 CO 0.00 -2.82 0.20 -0.44 -0.55 0.00 0.00 176.35 172.75 2osq s SER 9 N -4.47 4.39 -0.19 1.48 0.01 -1.25 -5.00 113.70 108.66 2osq s SER 9 Ca 0.69 -1.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.31 2osq s SER 9 Cb -0.08 0.38 -0.21 0.00 0.21 0.00 0.00 66.02 66.32 2osq s SER 9 CO 0.53 -0.94 0.33 -1.13 0.41 0.00 0.00 173.24 172.44 2osq h ASN 10 N 1.08 0.00 -3.46 2.44 -1.24 -1.97 -3.44 115.58 108.99 2osq h ASN 10 Ca -0.41 -0.61 -0.61 0.00 0.71 0.00 0.00 56.30 55.38 2osq h ASN 10 Cb 1.30 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.95 2osq h ASN 10 CO 0.66 1.39 -0.74 0.42 -1.29 0.00 0.00 177.43 177.87 2osq s THR 11 N -2.33 1.34 -0.30 -3.57 -4.23 -1.26 -4.24 115.64 101.05 2osq s THR 11 Ca -0.27 -2.38 -0.20 0.00 -1.18 0.00 0.00 61.69 57.67 2osq s THR 11 Cb 0.04 -1.95 0.20 0.00 1.34 0.00 0.00 72.50 72.13 2osq s THR 11 CO 0.61 -0.86 1.32 -0.60 -0.54 0.00 0.00 174.62 174.55 2osq s ARG 12 N 0.55 0.01 -0.13 3.99 3.52 -1.26 -4.48 118.95 121.15 2osq s ARG 12 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 2osq s ARG 12 Cb -0.23 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2osq s ARG 12 CO -0.03 -0.00 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.80 2osq s LEU 13 N 1.93 1.69 -0.23 -0.88 1.43 0.13 -1.53 118.68 121.22 2osq s LEU 13 Ca 0.00 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2osq s LEU 13 Cb -0.00 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2osq s LEU 13 CO -0.15 -0.02 0.43 0.12 0.23 0.00 0.00 176.35 176.95 2osq s PHE 14 N 1.26 3.31 0.34 0.29 5.36 0.11 -0.14 117.98 128.51 2osq s PHE 14 Ca -0.00 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2osq s PHE 14 Cb -0.14 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 39.93 2osq s PHE 14 CO -0.06 -0.14 0.37 0.08 -1.46 0.00 0.00 175.22 174.00 2osq s VAL 15 N 1.78 3.72 0.87 3.12 1.01 0.10 -1.46 120.40 129.54 2osq s VAL 15 Ca 0.19 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 2osq s VAL 15 Cb -0.15 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.07 2osq s VAL 15 CO 0.09 -0.16 1.14 -0.13 0.00 0.00 0.00 175.10 176.04 2osq s ARG 16 N -4.07 1.50 -0.02 2.72 0.52 -0.80 -2.12 118.95 116.67 2osq s ARG 16 Ca 0.43 0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 55.63 2osq s ARG 16 Cb -0.07 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 2osq s ARG 16 CO 0.28 -1.95 1.46 -1.25 0.02 0.00 0.00 175.30 173.87 2osq s PRO 17 N -5.34 4.25 0.32 3.54 0.04 -1.26 -3.95 135.00 132.60 2osq s PRO 17 Ca 0.63 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2osq s PRO 17 Cb -0.14 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2osq s PRO 17 CO 0.52 -0.67 0.55 -0.06 0.04 0.00 0.00 177.00 177.39 2osq s PHE 18 N 2.91 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 119.12 2osq s PHE 18 Ca 0.66 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2osq s PHE 18 Cb -0.31 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.25 2osq s PHE 18 CO 0.26 0.14 0.00 -0.35 0.70 0.00 0.00 175.22 175.97 2osq n PRO 19 N -1.47 0.65 0.34 0.24 -0.04 -1.26 -4.55 135.00 128.91 2osq n PRO 19 Ca -0.04 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2osq n PRO 19 Cb 0.55 0.00 0.82 0.00 -0.04 0.00 0.00 33.50 34.83 2osq n PRO 19 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2osq h LEU 20 N 0.00 0.00 -2.48 1.53 8.10 -2.04 0.35 115.31 120.77 2osq h LEU 20 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.90 2osq h LEU 20 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.17 2osq h LEU 20 CO 0.00 0.00 0.12 -0.67 -4.11 0.00 0.00 178.44 173.78 2osq n ASP 21 N -2.89 3.27 -4.56 0.17 2.03 -1.26 -4.83 116.55 108.48 2osq n ASP 21 Ca -0.02 -2.55 -0.36 0.00 0.52 0.00 0.00 54.79 52.37 2osq n ASP 21 Cb 0.38 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2osq s VAL 22 N -1.71 3.68 0.18 5.18 0.11 0.12 -4.79 120.40 123.16 2osq s VAL 22 Ca 0.26 -0.36 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2osq s VAL 22 Cb 0.21 -4.59 -0.01 0.00 -1.53 0.00 0.00 36.38 30.46 2osq s VAL 22 CO 0.07 -1.51 0.30 0.00 -3.33 0.00 0.00 175.10 170.63 2osq s GLN 23 N 5.95 1.22 0.58 1.54 -2.07 -1.26 -4.89 119.66 120.73 2osq s GLN 23 Ca 0.54 -1.22 0.35 0.00 -1.82 0.00 0.00 55.36 53.21 2osq s GLN 23 Cb -0.05 0.38 1.77 0.00 -1.09 0.00 0.00 33.01 34.03 2osq s GLN 23 CO -0.00 -0.45 2.16 1.05 -1.32 0.00 0.00 175.29 176.72 2osq h GLU 24 N 2.51 0.00 -0.25 9.60 4.11 -1.94 -2.99 114.58 125.62 2osq h GLU 24 Ca -0.31 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.18 2osq h GLU 24 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 2osq h GLU 24 CO 0.47 0.04 -0.18 1.03 0.07 0.00 0.00 179.01 180.44 2osq h SER 25 N 0.00 -0.59 -0.21 3.06 0.87 -1.95 0.21 113.55 114.93 2osq h SER 25 Ca -0.00 0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 2osq h SER 25 Cb 0.26 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2osq h SER 25 CO 0.01 -0.22 -0.36 1.05 -0.53 0.00 0.00 176.83 176.77 2osq h GLU 26 N -0.17 0.74 -0.92 2.24 4.11 -1.83 -1.37 114.58 117.37 2osq h GLU 26 Ca 0.14 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2osq h GLU 26 Cb 0.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2osq h GLU 26 CO -0.35 0.98 0.59 -0.07 0.07 0.00 0.00 179.01 180.23 2osq h LEU 27 N 0.62 1.08 -0.09 3.06 3.38 -1.34 0.25 115.31 122.27 2osq h LEU 27 Ca 0.06 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 2osq h LEU 27 Cb 0.90 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2osq h LEU 27 CO 0.08 0.80 -0.98 0.78 0.09 0.00 0.00 178.44 179.21 2osq h ASN 28 N 1.26 0.77 1.20 -0.43 2.35 -0.52 0.37 115.58 120.58 2osq h ASN 28 Ca 0.34 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2osq h ASN 28 Cb -0.11 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.02 2osq h ASN 28 CO -0.07 1.40 0.00 -0.33 -1.65 0.00 0.00 177.43 176.78 2osq h GLU 29 N 0.35 0.00 0.00 0.81 5.08 -0.90 0.38 114.58 120.30 2osq h GLU 29 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 2osq h GLU 29 Cb 1.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.83 2osq h GLU 29 CO 0.18 0.00 -1.79 -0.89 -1.00 0.00 0.00 179.01 175.52 2osq n ILE 30 N -2.99 1.51 1.71 3.13 5.41 0.86 -4.44 119.36 124.54 2osq n ILE 30 Ca 0.02 -0.13 0.15 0.00 1.00 0.00 0.00 62.75 63.78 2osq n ILE 30 Cb 0.35 -2.10 0.79 0.00 -0.71 0.00 0.00 39.64 37.97 2osq n ILE 30 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2osq n PHE 31 N -4.36 0.00 0.24 1.39 3.01 0.13 -4.14 117.46 113.73 2osq n PHE 31 Ca -0.35 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 57.93 2osq n PHE 31 Cb 0.71 -0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 39.99 2osq n PHE 31 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2osq h GLY 32 N 4.97 -1.23 -5.52 1.37 0.00 -0.33 -3.15 103.07 99.18 2osq h GLY 32 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 47.33 47.61 2osq h GLY 32 CO 0.00 -0.34 2.40 -1.55 0.00 0.00 0.00 176.54 177.05 2osq n PRO 33 N -5.54 1.81 0.00 4.80 -0.04 -1.26 -2.98 135.00 131.79 2osq n PRO 33 Ca -0.11 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 2osq n PRO 33 Cb 0.45 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2osq n PRO 33 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2osq n PHE 34 N 4.34 -0.15 0.00 0.54 3.72 -1.19 -5.08 117.46 119.63 2osq n PHE 34 Ca 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 2osq n PHE 34 Cb 0.11 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2osq n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2osq n GLY 35 N -0.22 -0.09 3.56 1.37 0.00 -1.16 -4.74 105.19 103.90 2osq n GLY 35 Ca 0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 2osq n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2osq s PRO 36 N -2.00 2.58 -0.26 1.61 0.04 -1.26 -4.84 135.00 130.87 2osq s PRO 36 Ca 0.00 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.84 2osq s PRO 36 Cb 0.00 -4.78 -0.04 0.00 0.04 0.00 0.00 34.50 29.71 2osq s PRO 36 CO 0.00 -3.12 2.14 -1.64 0.04 0.00 0.00 177.00 174.42 2osq s MET 37 N 7.03 3.12 0.39 4.56 -1.94 -1.26 -1.10 119.30 130.10 2osq s MET 37 Ca 0.69 1.87 0.09 0.00 -1.71 0.00 0.00 55.69 56.63 2osq s MET 37 Cb -0.09 -4.35 0.87 0.00 2.01 0.00 0.00 34.83 33.27 2osq s MET 37 CO 0.08 -2.12 1.96 -0.22 -0.01 0.00 0.00 175.02 174.71 2osq h LYS 38 N 14.84 0.59 -2.09 2.03 3.64 -0.54 -3.45 116.57 131.59 2osq h LYS 38 Ca -0.39 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.13 2osq h LYS 38 Cb 1.22 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.78 2osq h LYS 38 CO 0.99 0.39 0.57 -2.00 -2.27 0.00 0.00 179.45 177.13 2osq s GLU 39 N -5.56 0.81 -0.14 1.90 2.56 -0.13 -4.97 118.70 113.17 2osq s GLU 39 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 54.97 54.43 2osq s GLU 39 Cb 0.20 0.33 0.05 0.00 2.00 0.00 0.00 34.13 36.70 2osq s GLU 39 CO 0.76 -0.36 0.35 0.14 -0.56 0.00 0.00 175.26 175.59 2osq s VAL 40 N -2.99 -0.03 -0.06 3.70 -7.23 -1.26 -0.66 120.40 111.87 2osq s VAL 40 Ca 0.09 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.40 2osq s VAL 40 Cb -0.00 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 2osq s VAL 40 CO -0.05 0.04 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.07 2osq s LYS 41 N 1.24 2.62 -0.21 4.82 -0.14 0.69 -4.98 119.74 123.78 2osq s LYS 41 Ca -0.09 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 53.74 2osq s LYS 41 Cb -0.09 -2.34 0.06 0.00 -1.68 0.00 0.00 37.83 33.79 2osq s LYS 41 CO -0.10 0.49 0.03 0.96 -0.76 0.00 0.00 175.35 175.98 2osq s ILE 42 N -0.41 0.64 0.08 2.17 -0.00 -1.26 -0.18 121.20 122.23 2osq s ILE 42 Ca 0.04 -0.70 0.08 0.00 -0.00 0.00 0.00 60.65 60.07 2osq s ILE 42 Cb -0.12 -1.16 -0.03 0.00 -0.00 0.00 0.00 42.46 41.15 2osq s ILE 42 CO 0.02 -0.25 -0.21 -0.76 -0.00 0.00 0.00 174.94 173.74 2osq s LEU 43 N 1.80 2.24 -0.82 0.37 1.43 -0.58 -4.96 118.68 118.16 2osq s LEU 43 Ca -0.00 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 2osq s LEU 43 Cb -0.17 -0.94 -0.11 0.00 0.03 0.00 0.00 46.19 45.00 2osq s LEU 43 CO -0.10 0.11 2.26 0.21 0.23 0.00 0.00 176.35 179.06 2osq s ASN 44 N -1.57 4.30 0.00 2.29 3.84 -1.26 -1.32 114.94 121.22 2osq s ASN 44 Ca 0.07 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 52.99 2osq s ASN 44 Cb -0.09 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 2osq s ASN 44 CO 0.03 -3.50 0.00 0.61 -2.79 0.00 0.00 177.10 171.45 2osq n GLY 45 N 6.80 1.14 3.55 1.21 0.00 -1.26 -5.09 105.19 111.54 2osq n GLY 45 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 2osq n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2osq s PHE 46 N -0.14 -0.39 0.14 1.61 -0.12 -0.43 -4.06 117.98 114.58 2osq s PHE 46 Ca 0.00 0.56 0.07 0.00 -0.05 0.00 0.00 56.93 57.50 2osq s PHE 46 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2osq s PHE 46 CO 0.00 -0.43 -0.15 0.00 -0.05 0.00 0.00 175.22 174.59 2osq s ALA 47 N -1.72 1.65 0.02 1.99 0.00 -0.90 -1.52 121.76 121.27 2osq s ALA 47 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2osq s ALA 47 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2osq s ALA 47 CO -0.01 0.13 -0.04 -0.06 0.00 0.00 0.00 175.76 175.78 2osq s PHE 48 N -2.19 0.33 -0.20 0.00 0.08 0.75 0.02 117.98 116.77 2osq s PHE 48 Ca 0.11 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 2osq s PHE 48 Cb -0.05 -0.23 0.10 0.00 -0.57 0.00 0.00 43.02 42.28 2osq s PHE 48 CO 0.04 -0.18 0.33 0.08 -0.10 0.00 0.00 175.22 175.39 2osq s VAL 49 N -1.53 -0.52 -0.32 -0.44 1.01 0.80 -0.22 120.40 119.17 2osq s VAL 49 Ca -0.14 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2osq s VAL 49 Cb -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2osq s VAL 49 CO -0.01 -0.03 0.15 -0.70 0.00 0.00 0.00 175.10 174.50 2osq s GLU 50 N 2.49 3.16 0.31 2.72 2.12 0.16 0.19 118.70 129.85 2osq s GLU 50 Ca 0.06 -0.84 -0.18 0.00 0.36 0.00 0.00 54.97 54.37 2osq s GLU 50 Cb -0.14 -3.55 -0.09 0.00 0.26 0.00 0.00 34.13 30.61 2osq s GLU 50 CO -0.13 -0.49 0.77 -0.06 -0.54 0.00 0.00 175.26 174.82 2osq s PHE 51 N 1.57 3.47 -1.18 5.30 0.08 -1.26 0.12 117.98 126.07 2osq s PHE 51 Ca 0.03 1.36 0.16 0.00 0.12 0.00 0.00 56.93 58.60 2osq s PHE 51 Cb -0.18 -2.63 0.73 0.00 -0.57 0.00 0.00 43.02 40.38 2osq s PHE 51 CO 0.05 0.14 1.48 0.39 -0.10 0.00 0.00 175.22 177.19 2osq n GLU 52 N -0.02 0.10 -3.91 0.44 1.02 -0.26 -4.48 120.64 113.52 2osq n GLU 52 Ca 0.02 0.19 -0.18 0.00 -0.02 0.00 0.00 57.16 57.17 2osq n GLU 52 Cb 0.52 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 2osq n GLU 52 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2osq s GLU 53 N -2.82 0.38 0.25 3.49 2.02 -1.26 -4.99 118.70 115.77 2osq s GLU 53 Ca 0.11 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.15 2osq s GLU 53 Cb 0.10 -0.60 0.48 0.00 0.10 0.00 0.00 34.13 34.22 2osq s GLU 53 CO 0.27 -0.17 1.75 0.00 0.02 0.00 0.00 175.26 177.13 2osq h ALA 54 N 7.49 1.15 -0.07 5.21 0.00 -1.81 -1.70 119.26 129.54 2osq h ALA 54 Ca -0.36 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2osq h ALA 54 Cb 1.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2osq h ALA 54 CO 0.42 -0.13 -0.13 1.49 0.00 0.00 0.00 179.25 180.89 2osq h GLU 55 N 0.55 -0.18 -1.00 0.00 4.81 -1.96 0.20 114.58 116.99 2osq h GLU 55 Ca 0.43 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.76 2osq h GLU 55 Cb 0.60 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 2osq h GLU 55 CO -0.36 -0.12 0.64 0.77 -0.73 0.00 0.00 179.01 179.21 2osq h SER 56 N -0.19 0.99 0.20 1.04 0.02 -1.63 -1.07 113.55 112.91 2osq h SER 56 Ca 0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2osq h SER 56 Cb 0.29 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2osq h SER 56 CO -0.19 0.59 -0.09 0.00 -1.14 0.00 0.00 176.83 176.00 2osq h ALA 57 N 1.49 -0.26 -0.95 3.77 0.00 -0.63 -1.20 119.26 121.48 2osq h ALA 57 Ca 0.46 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.35 2osq h ALA 57 Cb 0.30 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2osq h ALA 57 CO -0.21 -0.44 0.60 0.00 0.00 0.00 0.00 179.25 179.20 2osq h ALA 58 N 0.00 1.88 0.15 0.00 0.00 -0.31 -0.67 119.26 120.32 2osq h ALA 58 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2osq h ALA 58 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2osq h ALA 58 CO 0.04 -0.18 -0.07 0.87 0.00 0.00 0.00 179.25 179.91 2osq h LYS 59 N 0.65 -0.20 -0.86 0.00 1.79 -1.16 -3.10 116.57 113.70 2osq h LYS 59 Ca 0.51 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 59.21 2osq h LYS 59 Cb 0.92 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.57 2osq h LYS 59 CO -0.27 0.24 0.59 0.00 -1.08 0.00 0.00 179.45 178.93 2osq h ALA 60 N -0.14 2.48 -0.60 3.86 0.00 -0.59 0.36 119.26 124.63 2osq h ALA 60 Ca -0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2osq h ALA 60 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2osq h ALA 60 CO 0.03 -0.74 0.05 0.82 0.00 0.00 0.00 179.25 179.42 2osq h ILE 61 N 0.21 1.26 0.00 0.00 2.04 -1.12 0.36 117.51 120.26 2osq h ILE 61 Ca 0.43 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2osq h ILE 61 Cb 1.36 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2osq h ILE 61 CO -0.10 0.39 -0.45 -0.33 0.00 0.00 0.00 178.15 177.66 2osq h GLU 62 N 0.92 0.00 0.00 2.37 4.39 -0.77 -3.17 114.58 118.32 2osq h GLU 62 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2osq h GLU 62 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2osq h GLU 62 CO 0.02 0.00 -0.14 0.39 -1.16 0.00 0.00 179.01 178.12 2osq n GLU 63 N -2.23 0.11 -0.27 2.33 -0.58 0.10 -4.41 120.64 115.69 2osq n GLU 63 Ca 0.04 0.28 0.22 0.00 -0.42 0.00 0.00 57.16 57.27 2osq n GLU 63 Cb 0.45 -0.94 0.53 0.00 -0.57 0.00 0.00 31.44 30.91 2osq n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2osq h VAL 64 N -0.24 0.61 -2.11 2.62 2.07 -0.50 -3.41 116.25 115.29 2osq h VAL 64 Ca 0.00 -0.12 -0.60 0.00 0.82 0.00 0.00 66.70 66.80 2osq h VAL 64 Cb 0.14 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2osq h VAL 64 CO 0.00 0.07 1.09 1.57 0.02 0.00 0.00 177.57 180.32 2osq n HIS 65 N -4.52 2.36 -0.42 1.57 -0.00 -1.20 -0.54 115.22 112.47 2osq n HIS 65 Ca 0.22 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2osq n HIS 65 Cb 0.80 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 2osq n HIS 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2osq n GLY 66 N 4.34 0.76 2.79 1.57 0.00 -1.00 -4.96 105.19 108.70 2osq n GLY 66 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2osq n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2osq n LYS 67 N -2.26 -2.79 -4.93 1.61 4.76 0.29 -4.64 118.16 110.20 2osq n LYS 67 Ca 0.00 -1.39 -0.26 0.00 -2.87 0.00 0.00 58.31 53.79 2osq n LYS 67 Cb 0.00 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 31.71 2osq n LYS 67 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2osq s SER 68 N -3.83 2.26 -0.29 4.39 1.04 -1.26 -0.11 113.70 115.90 2osq s SER 68 Ca 0.57 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 2osq s SER 68 Cb -0.06 -0.35 0.15 0.00 0.10 0.00 0.00 66.02 65.87 2osq s SER 68 CO 0.44 0.22 1.15 0.12 0.98 0.00 0.00 173.24 176.15 2osq s PHE 69 N -0.33 -0.34 -1.62 5.02 5.36 -0.51 -4.88 117.98 120.67 2osq s PHE 69 Ca 0.05 0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 56.76 2osq s PHE 69 Cb -0.09 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 2osq s PHE 69 CO 0.00 -0.17 0.47 0.00 -1.46 0.00 0.00 175.22 174.06 2osq n ALA 70 N 2.46 -0.89 -3.34 11.12 0.00 -1.26 -1.69 120.51 126.91 2osq n ALA 70 Ca -0.14 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 2osq n ALA 70 Cb 0.57 -3.51 0.06 0.00 0.00 0.00 0.00 19.45 16.56 2osq n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2osq n ASN 71 N -2.41 -6.30 -3.61 0.00 3.02 -1.26 -4.98 115.26 99.71 2osq n ASN 71 Ca -0.15 -0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 53.82 2osq n ASN 71 Cb 0.64 -5.02 -0.07 0.00 -0.61 0.00 0.00 39.78 34.72 2osq n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2osq s GLN 72 N -6.04 0.89 -0.01 3.52 -2.07 -0.68 -5.14 119.66 110.13 2osq s GLN 72 Ca 0.46 0.23 -0.30 0.00 -1.82 0.00 0.00 55.36 53.93 2osq s GLN 72 Cb -0.20 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.08 2osq s GLN 72 CO 0.57 -0.25 1.46 -1.25 -1.32 0.00 0.00 175.29 174.50 2osq s PRO 73 N -0.97 4.25 0.77 9.60 0.04 -1.26 -1.42 135.00 146.01 2osq s PRO 73 Ca -0.10 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2osq s PRO 73 Cb -0.02 -3.64 0.05 0.00 0.04 0.00 0.00 34.50 30.94 2osq s PRO 73 CO 0.07 -0.64 1.11 -0.51 0.04 0.00 0.00 177.00 177.07 2osq s LEU 74 N 2.70 2.66 -0.16 -3.56 1.43 0.84 -4.93 118.68 117.66 2osq s LEU 74 Ca 0.66 1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 54.85 2osq s LEU 74 Cb -0.32 -3.83 0.06 0.00 0.03 0.00 0.00 46.19 42.13 2osq s LEU 74 CO 0.27 -1.78 0.38 -0.70 0.23 0.00 0.00 176.35 174.75 2osq s GLU 75 N -5.27 0.35 0.00 1.70 2.12 -1.26 -2.36 118.70 113.98 2osq s GLU 75 Ca 0.60 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.69 2osq s GLU 75 Cb -0.13 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.23 2osq s GLU 75 CO 0.53 -0.16 -0.02 0.08 -0.54 0.00 0.00 175.26 175.14 2osq s VAL 76 N 1.43 0.18 0.24 3.70 1.01 -1.26 -1.90 120.40 123.79 2osq s VAL 76 Ca -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2osq s VAL 76 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2osq s VAL 76 CO -0.12 0.00 0.29 0.68 0.00 0.00 0.00 175.10 175.95 2osq s VAL 77 N -0.17 0.00 -0.53 2.92 -7.23 -0.54 -4.65 120.40 110.20 2osq s VAL 77 Ca -0.00 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.13 2osq s VAL 77 Cb -0.02 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 2osq s VAL 77 CO -0.00 0.00 1.65 -0.31 -0.31 0.00 0.00 175.10 176.13 2osq s TYR 78 N -3.96 1.97 -0.15 2.82 2.02 -1.26 0.10 117.35 118.88 2osq s TYR 78 Ca 0.33 0.61 -0.38 0.00 -0.37 0.00 0.00 57.07 57.26 2osq s TYR 78 Cb 0.03 -4.23 -0.15 0.00 -0.40 0.00 0.00 41.96 37.21 2osq s TYR 78 CO 0.13 -2.29 1.70 0.43 -1.57 0.00 0.00 175.55 173.94 2osq n SER 79 N 10.83 2.54 0.00 2.29 7.64 -0.58 -4.65 113.62 131.69 2osq n SER 79 Ca 0.17 1.06 0.10 0.00 1.01 0.00 0.00 58.87 61.21 2osq n SER 79 Cb 0.50 -1.21 0.59 0.00 -1.01 0.00 0.00 64.21 63.08 2osq n SER 79 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32