#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 2.36 0.49 -1.84 0.05 -1.26 -4.57 118.68 113.90 2osq s LEU 8 Ca 0.00 0.82 0.05 0.00 0.05 0.00 0.00 54.13 55.04 2osq s LEU 8 Cb 0.00 -3.24 -0.01 0.00 -2.05 0.00 0.00 46.19 40.89 2osq s LEU 8 CO 0.00 -2.14 0.18 -0.44 -0.55 0.00 0.00 176.35 173.40 2osq s SER 9 N -4.43 4.35 -0.16 1.48 0.01 -1.25 -4.99 113.70 108.71 2osq s SER 9 Ca 0.63 -1.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.31 2osq s SER 9 Cb -0.12 0.15 -0.20 0.00 0.21 0.00 0.00 66.02 66.06 2osq s SER 9 CO 0.50 -0.82 0.46 -1.13 0.41 0.00 0.00 173.24 172.66 2osq h ASN 10 N 1.21 0.00 -3.26 2.44 -1.24 -1.98 -3.44 115.58 109.32 2osq h ASN 10 Ca -0.41 -0.69 -0.60 0.00 0.71 0.00 0.00 56.30 55.31 2osq h ASN 10 Cb 1.29 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 39.94 2osq h ASN 10 CO 0.68 1.12 -0.76 0.42 -1.29 0.00 0.00 177.43 177.60 2osq s THR 11 N -2.22 1.05 0.00 -3.57 -4.23 -1.26 -4.34 115.64 101.07 2osq s THR 11 Ca -0.21 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.13 2osq s THR 11 Cb 0.01 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.10 2osq s THR 11 CO 0.57 -0.87 0.00 -1.14 -0.54 0.00 0.00 174.62 172.64 2osq n ARG 12 N 3.89 0.00 -4.60 3.99 0.63 -1.26 -4.43 116.66 114.87 2osq n ARG 12 Ca 0.07 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.69 2osq n ARG 12 Cb 0.36 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.11 2osq n ARG 12 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2osq s LEU 13 N 0.00 2.00 -0.24 6.15 1.43 0.56 -0.07 118.68 128.51 2osq s LEU 13 Ca 0.00 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 2osq s LEU 13 Cb 0.00 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2osq s LEU 13 CO 0.00 0.06 0.43 0.12 0.23 0.00 0.00 176.35 177.19 2osq s PHE 14 N 0.88 3.29 0.34 0.29 5.36 0.14 -0.58 117.98 127.69 2osq s PHE 14 Ca -0.07 0.56 0.07 0.00 -0.96 0.00 0.00 56.93 56.53 2osq s PHE 14 Cb -0.15 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 2osq s PHE 14 CO -0.02 -0.18 0.40 0.08 -1.46 0.00 0.00 175.22 174.04 2osq s VAL 15 N 1.92 3.82 0.88 3.12 1.01 0.11 -1.48 120.40 129.78 2osq s VAL 15 Ca 0.18 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 2osq s VAL 15 Cb -0.15 -3.31 0.12 0.00 0.00 0.00 0.00 36.38 33.03 2osq s VAL 15 CO 0.09 -0.16 1.14 0.00 0.00 0.00 0.00 175.10 176.17 2osq s ARG 16 N -4.11 1.42 -0.03 2.72 1.70 -0.81 -2.03 118.95 117.82 2osq s ARG 16 Ca 0.44 0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.70 2osq s ARG 16 Cb -0.08 -1.87 -0.05 0.00 -0.57 0.00 0.00 34.95 32.38 2osq s ARG 16 CO 0.29 -2.01 1.47 -1.25 -1.08 0.00 0.00 175.30 172.73 2osq s PRO 17 N -5.32 4.24 0.33 3.89 0.04 -1.26 -3.93 135.00 133.00 2osq s PRO 17 Ca 0.63 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 2osq s PRO 17 Cb -0.14 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2osq s PRO 17 CO 0.53 -0.68 0.56 -0.06 0.04 0.00 0.00 177.00 177.38 2osq s PHE 18 N 3.02 3.50 0.00 0.56 0.40 -1.26 -4.97 117.98 119.23 2osq s PHE 18 Ca 0.66 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 2osq s PHE 18 Cb -0.31 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.24 2osq s PHE 18 CO 0.26 0.12 0.00 -0.35 0.70 0.00 0.00 175.22 175.95 2osq n PRO 19 N -1.54 0.68 0.33 0.24 -0.04 -1.26 -4.54 135.00 128.87 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 0.81 0.00 -0.04 0.00 0.00 33.50 34.82 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 -2.41 1.53 -0.00 -2.04 0.36 115.31 112.75 2osq h LEU 20 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2osq h LEU 20 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.61 2osq h LEU 20 CO 0.00 0.00 0.11 0.47 -0.00 0.00 0.00 178.44 179.02 2osq n ASP 21 N -2.89 3.19 -4.56 0.17 8.00 -1.26 -4.82 116.55 114.38 2osq n ASP 21 Ca -0.02 -2.52 -0.38 0.00 0.71 0.00 0.00 54.79 52.58 2osq n ASP 21 Cb 0.39 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2osq s VAL 22 N -1.66 3.74 0.24 2.53 0.11 0.13 -4.78 120.40 120.72 2osq s VAL 22 Ca 0.24 -0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2osq s VAL 22 Cb 0.19 -4.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.30 2osq s VAL 22 CO 0.06 -1.64 0.36 0.00 -3.33 0.00 0.00 175.10 170.56 2osq s GLN 23 N 5.70 1.47 0.56 1.54 -2.07 -1.26 -4.91 119.66 120.69 2osq s GLN 23 Ca 0.51 -1.43 0.35 0.00 -1.82 0.00 0.00 55.36 52.96 2osq s GLN 23 Cb -0.04 0.40 1.52 0.00 -1.09 0.00 0.00 33.01 33.81 2osq s GLN 23 CO -0.01 -0.58 2.05 1.05 -1.32 0.00 0.00 175.29 176.47 2osq h GLU 24 N 2.36 0.00 -0.27 9.60 4.11 -1.95 -3.08 114.58 125.35 2osq h GLU 24 Ca -0.29 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.19 2osq h GLU 24 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2osq h GLU 24 CO 0.41 0.02 -0.02 1.03 0.07 0.00 0.00 179.01 180.52 2osq h SER 25 N 0.00 -0.16 -0.02 3.06 0.87 -1.96 0.84 113.55 116.18 2osq h SER 25 Ca -0.00 0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.47 2osq h SER 25 Cb 0.43 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2osq h SER 25 CO 0.00 -0.05 -0.53 1.05 -0.53 0.00 0.00 176.83 176.78 2osq h GLU 26 N 0.05 0.60 -0.81 2.24 4.11 -1.84 -1.35 114.58 117.57 2osq h GLU 26 Ca 0.13 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 2osq h GLU 26 Cb 0.18 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2osq h GLU 26 CO -0.24 0.98 0.48 -0.07 0.07 0.00 0.00 179.01 180.23 2osq h LEU 27 N 0.46 0.99 -0.04 3.06 3.38 -1.40 0.25 115.31 122.02 2osq h LEU 27 Ca 0.01 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 57.65 2osq h LEU 27 Cb 1.07 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.59 2osq h LEU 27 CO 0.10 0.77 -1.03 0.78 0.09 0.00 0.00 178.44 179.15 2osq h ASN 28 N 1.12 0.83 1.12 -0.43 2.35 -0.80 0.38 115.58 120.15 2osq h ASN 28 Ca 0.29 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2osq h ASN 28 Cb -0.03 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.09 2osq h ASN 28 CO -0.05 1.47 0.00 -0.33 -1.65 0.00 0.00 177.43 176.86 2osq h GLU 29 N 0.35 0.00 0.00 0.81 4.39 -0.98 0.39 114.58 119.54 2osq h GLU 29 Ca -0.12 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.34 2osq h GLU 29 Cb 1.68 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.30 2osq h GLU 29 CO 0.20 0.00 -1.77 -0.89 -1.16 0.00 0.00 179.01 175.38 2osq n ILE 30 N -2.97 1.51 1.85 3.13 5.41 0.87 -4.45 119.36 124.71 2osq n ILE 30 Ca 0.01 -0.13 0.15 0.00 1.00 0.00 0.00 62.75 63.78 2osq n ILE 30 Cb 0.33 -2.11 0.78 0.00 -0.71 0.00 0.00 39.64 37.93 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 0.01 0.35 1.39 3.01 0.13 -4.15 117.46 113.84 2osq n PHE 31 Ca -0.35 -0.00 -0.19 0.00 1.01 0.00 0.00 57.45 57.92 2osq n PHE 31 Cb 0.70 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.07 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 5.01 -1.29 -5.46 1.37 0.00 -0.30 -3.20 103.07 99.19 2osq h GLY 32 Ca 0.00 0.57 -0.31 0.00 0.00 0.00 0.00 47.33 47.59 2osq h GLY 32 CO 0.00 -0.41 2.27 -1.55 0.00 0.00 0.00 176.54 176.86 2osq n PRO 33 N -5.59 1.76 0.00 4.80 -0.04 -1.26 -3.01 135.00 131.66 2osq n PRO 33 Ca -0.13 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 2osq n PRO 33 Cb 0.48 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 4.23 -0.25 0.00 0.54 3.72 -1.21 -5.09 117.46 119.40 2osq n PHE 34 Ca 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 2osq n PHE 34 Cb 0.13 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.02 -0.04 3.56 1.37 0.00 -1.16 -4.72 105.19 104.22 2osq n GLY 35 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.18 1.61 0.04 -1.26 -4.85 135.00 130.94 2osq s PRO 36 Ca 0.00 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 2osq s PRO 36 Cb 0.00 -4.80 -0.05 0.00 0.04 0.00 0.00 34.50 29.68 2osq s PRO 36 CO 0.00 -3.14 2.10 -1.64 0.04 0.00 0.00 177.00 174.36 2osq s MET 37 N 7.03 3.39 0.39 4.56 -1.94 -1.26 -0.96 119.30 130.52 2osq s MET 37 Ca 0.69 2.08 0.08 0.00 -1.71 0.00 0.00 55.69 56.83 2osq s MET 37 Cb -0.09 -4.30 0.80 0.00 2.01 0.00 0.00 34.83 33.26 2osq s MET 37 CO 0.07 -1.80 1.96 -0.22 -0.01 0.00 0.00 175.02 175.03 2osq h LYS 38 N 13.70 0.37 -2.29 2.03 1.63 -0.60 -3.44 116.57 127.97 2osq h LYS 38 Ca -0.42 -0.06 0.16 0.00 -0.85 0.00 0.00 60.65 59.48 2osq h LYS 38 Cb 1.23 -0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 32.69 2osq h LYS 38 CO 0.96 0.38 0.50 -2.00 -3.45 0.00 0.00 179.45 175.84 2osq s GLU 39 N -5.02 1.04 -0.17 1.90 2.56 0.22 -4.97 118.70 114.27 2osq s GLU 39 Ca -0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 54.97 54.29 2osq s GLU 39 Cb 0.16 0.39 0.06 0.00 2.00 0.00 0.00 34.13 36.74 2osq s GLU 39 CO 0.73 -0.47 0.39 0.14 -0.56 0.00 0.00 175.26 175.50 2osq s VAL 40 N -3.20 -0.09 -0.09 3.70 -7.23 -1.26 -0.93 120.40 111.30 2osq s VAL 40 Ca 0.10 0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.41 2osq s VAL 40 Cb -0.01 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 2osq s VAL 40 CO -0.02 0.05 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.11 2osq s LYS 41 N 1.53 2.92 -0.21 4.82 -0.14 0.11 -4.99 119.74 123.78 2osq s LYS 41 Ca -0.09 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 53.75 2osq s LYS 41 Cb -0.09 -2.42 0.06 0.00 -1.68 0.00 0.00 37.83 33.70 2osq s LYS 41 CO -0.12 0.37 0.03 0.96 -0.76 0.00 0.00 175.35 175.82 2osq s ILE 42 N -0.07 0.65 0.05 2.17 -0.00 -1.26 -0.06 121.20 122.67 2osq s ILE 42 Ca -0.04 -0.68 0.07 0.00 -0.00 0.00 0.00 60.65 60.01 2osq s ILE 42 Cb -0.14 -1.15 -0.03 0.00 -0.00 0.00 0.00 42.46 41.14 2osq s ILE 42 CO 0.04 -0.23 -0.21 -0.76 -0.00 0.00 0.00 174.94 173.79 2osq s LEU 43 N 1.80 2.17 -0.67 0.37 1.43 -0.60 -4.98 118.68 118.20 2osq s LEU 43 Ca -0.01 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 2osq s LEU 43 Cb -0.17 -0.98 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 2osq s LEU 43 CO -0.09 0.16 2.38 0.21 0.23 0.00 0.00 176.35 179.23 2osq s ASN 44 N -1.22 4.19 0.00 2.29 3.84 -1.26 -1.07 114.94 121.72 2osq s ASN 44 Ca 0.07 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.60 2osq s ASN 44 Cb -0.09 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 2osq s ASN 44 CO 0.02 -3.39 0.00 0.61 -2.79 0.00 0.00 177.10 171.55 2osq n GLY 45 N 6.45 1.32 3.57 1.21 0.00 -1.26 -5.10 105.19 111.38 2osq n GLY 45 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.53 -0.43 0.20 1.61 -0.12 -0.23 -4.02 117.98 114.46 2osq s PHE 46 Ca 0.00 0.75 0.09 0.00 -0.05 0.00 0.00 56.93 57.72 2osq s PHE 46 Cb 0.00 0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 2osq s PHE 46 CO 0.00 -0.40 -0.17 0.00 -0.05 0.00 0.00 175.22 174.61 2osq s ALA 47 N -1.09 2.15 -0.00 1.99 0.00 -0.86 -1.56 121.76 122.39 2osq s ALA 47 Ca -0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 2osq s ALA 47 Cb -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2osq s ALA 47 CO 0.03 0.17 0.21 -0.06 0.00 0.00 0.00 175.76 176.12 2osq s PHE 48 N -2.53 -0.06 -0.12 0.00 0.08 0.91 0.09 117.98 116.35 2osq s PHE 48 Ca 0.21 0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 2osq s PHE 48 Cb -0.03 0.02 0.06 0.00 -0.57 0.00 0.00 43.02 42.49 2osq s PHE 48 CO 0.08 -0.34 0.26 0.54 -0.10 0.00 0.00 175.22 175.66 2osq s VAL 49 N -1.39 -0.37 -0.36 -0.44 0.11 0.25 0.07 120.40 118.27 2osq s VAL 49 Ca -0.14 0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 2osq s VAL 49 Cb -0.06 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2osq s VAL 49 CO 0.03 0.11 0.16 -0.70 -3.33 0.00 0.00 175.10 171.38 2osq s GLU 50 N 2.31 2.74 0.41 1.54 2.12 -0.10 -0.32 118.70 127.39 2osq s GLU 50 Ca 0.00 -1.12 -0.20 0.00 0.36 0.00 0.00 54.97 54.01 2osq s GLU 50 Cb -0.12 -3.62 -0.11 0.00 0.26 0.00 0.00 34.13 30.55 2osq s GLU 50 CO -0.08 -0.69 0.91 -0.06 -0.54 0.00 0.00 175.26 174.80 2osq s PHE 51 N 1.49 3.33 -1.87 5.30 0.08 -1.26 0.04 117.98 125.10 2osq s PHE 51 Ca 0.00 1.54 0.26 0.00 0.12 0.00 0.00 56.93 58.86 2osq s PHE 51 Cb -0.19 -2.79 1.48 0.00 -0.57 0.00 0.00 43.02 40.95 2osq s PHE 51 CO 0.05 -0.06 1.89 -1.91 -0.10 0.00 0.00 175.22 175.09 2osq n GLU 52 N -0.55 0.71 -3.71 0.44 2.13 -0.13 -4.44 120.64 115.08 2osq n GLU 52 Ca 0.06 0.01 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 2osq n GLU 52 Cb 0.54 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.59 2osq n GLU 52 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2osq s GLU 53 N -2.13 0.02 0.28 5.31 2.02 -1.26 -4.98 118.70 117.95 2osq s GLU 53 Ca 0.35 0.41 0.02 0.00 0.02 0.00 0.00 54.97 55.77 2osq s GLU 53 Cb 0.18 -0.28 0.63 0.00 0.10 0.00 0.00 34.13 34.75 2osq s GLU 53 CO 0.32 -0.25 1.73 0.00 0.02 0.00 0.00 175.26 177.09 2osq h ALA 54 N 7.87 1.37 0.13 5.21 0.00 -1.82 -1.34 119.26 130.68 2osq h ALA 54 Ca -0.27 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2osq h ALA 54 Cb 1.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2osq h ALA 54 CO 0.28 -0.20 -0.19 1.49 0.00 0.00 0.00 179.25 180.64 2osq h GLU 55 N 0.53 -0.36 -0.97 0.00 4.81 -1.96 0.19 114.58 116.82 2osq h GLU 55 Ca 0.51 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.88 2osq h GLU 55 Cb 0.85 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.23 2osq h GLU 55 CO -0.44 -0.24 0.60 1.03 -0.73 0.00 0.00 179.01 179.24 2osq h SER 56 N -0.37 0.88 0.19 1.04 0.87 -1.56 -0.58 113.55 114.02 2osq h SER 56 Ca 0.02 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2osq h SER 56 Cb 0.38 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2osq h SER 56 CO -0.09 0.47 -0.09 0.00 -0.53 0.00 0.00 176.83 176.59 2osq h ALA 57 N 1.52 -0.26 -0.75 6.23 0.00 -0.80 -0.78 119.26 124.42 2osq h ALA 57 Ca 0.48 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.36 2osq h ALA 57 Cb 0.47 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2osq h ALA 57 CO -0.26 -0.45 0.51 0.00 0.00 0.00 0.00 179.25 179.05 2osq h ALA 58 N 0.02 2.26 0.07 0.00 0.00 -0.22 -0.76 119.26 120.63 2osq h ALA 58 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2osq h ALA 58 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2osq h ALA 58 CO 0.04 -0.47 -0.04 0.87 0.00 0.00 0.00 179.25 179.66 2osq h LYS 59 N 0.30 -0.10 -0.82 0.00 1.79 -1.03 -3.19 116.57 113.54 2osq h LYS 59 Ca 0.37 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 59.05 2osq h LYS 59 Cb 1.00 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 2osq h LYS 59 CO -0.10 0.45 0.56 0.00 -1.08 0.00 0.00 179.45 179.28 2osq h ALA 60 N -0.24 2.39 -0.52 3.86 0.00 -0.58 0.37 119.26 124.54 2osq h ALA 60 Ca -0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2osq h ALA 60 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2osq h ALA 60 CO 0.02 -0.64 -0.02 0.82 0.00 0.00 0.00 179.25 179.43 2osq h ILE 61 N 0.24 1.26 0.00 0.00 2.04 -1.21 0.31 117.51 120.15 2osq h ILE 61 Ca 0.41 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2osq h ILE 61 Cb 1.22 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2osq h ILE 61 CO -0.10 0.39 -0.60 -0.62 0.00 0.00 0.00 178.15 177.22 2osq n GLU 62 N -4.19 0.18 -0.03 2.37 1.02 0.31 -3.38 120.64 116.93 2osq n GLU 62 Ca 0.03 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2osq n GLU 62 Cb 0.33 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 2osq n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2osq n GLU 63 N -1.87 0.18 -0.21 3.49 -0.58 0.10 -4.45 120.64 117.30 2osq n GLU 63 Ca 0.04 0.26 0.17 0.00 -0.42 0.00 0.00 57.16 57.21 2osq n GLU 63 Cb 0.40 -1.02 0.50 0.00 -0.57 0.00 0.00 31.44 30.75 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 -0.38 0.73 -2.43 2.62 2.07 -0.60 -3.41 116.25 114.84 2osq h VAL 64 Ca 0.00 -0.15 -0.53 0.00 0.82 0.00 0.00 66.70 66.85 2osq h VAL 64 Cb 0.26 0.27 0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2osq h VAL 64 CO 0.00 0.08 1.19 -2.28 0.02 0.00 0.00 177.57 176.57 2osq s HIS 65 N -5.43 1.66 0.00 1.57 5.65 -1.22 -1.22 115.29 116.29 2osq s HIS 65 Ca -0.08 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2osq s HIS 65 Cb 0.22 -4.23 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 2osq s HIS 65 CO 0.78 -5.33 0.00 0.41 -0.65 0.00 0.00 174.74 169.95 2osq n GLY 66 N 4.42 0.77 2.17 1.59 0.00 -1.08 -4.94 105.19 108.12 2osq n GLY 66 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.23 -0.69 -4.52 1.61 4.76 -0.36 -4.77 118.16 111.95 2osq n LYS 67 Ca 0.00 -1.18 -0.25 0.00 -2.87 0.00 0.00 58.31 54.01 2osq n LYS 67 Cb 0.00 -0.75 -0.14 0.00 -1.84 0.00 0.00 35.03 32.30 2osq n LYS 67 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2osq s SER 68 N -3.72 2.59 -0.29 4.39 0.01 -1.26 -0.10 113.70 115.31 2osq s SER 68 Ca 0.42 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 56.92 2osq s SER 68 Cb -0.01 -0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.19 2osq s SER 68 CO 0.30 0.13 1.06 0.12 0.41 0.00 0.00 173.24 175.25 2osq s PHE 69 N -0.94 -0.44 -1.35 2.43 2.19 -0.04 -4.84 117.98 115.00 2osq s PHE 69 Ca 0.08 0.88 -0.07 0.00 0.33 0.00 0.00 56.93 58.16 2osq s PHE 69 Cb -0.09 0.28 0.01 0.00 -1.31 0.00 0.00 43.02 41.90 2osq s PHE 69 CO 0.03 -0.22 0.87 0.00 1.83 0.00 0.00 175.22 177.73 2osq n ALA 70 N 3.44 -1.08 -2.66 11.12 0.00 -1.26 -1.76 120.51 128.31 2osq n ALA 70 Ca -0.18 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 2osq n ALA 70 Cb 0.57 -4.52 0.01 0.00 0.00 0.00 0.00 19.45 15.50 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 -2.49 -5.86 -3.77 0.00 3.02 -1.26 -4.97 115.26 99.92 2osq n ASN 71 Ca -0.04 -0.12 -0.13 0.00 -0.03 0.00 0.00 54.58 54.26 2osq n ASN 71 Cb 0.58 -4.82 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 2osq n ASN 71 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2osq s GLN 72 N -5.32 0.62 0.03 3.52 -0.21 -0.72 -5.14 119.66 112.44 2osq s GLN 72 Ca 0.13 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 2osq s GLN 72 Cb -0.06 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.17 2osq s GLN 72 CO 0.16 -0.16 1.43 -1.25 -2.12 0.00 0.00 175.29 173.34 2osq s PRO 73 N -1.22 4.28 0.59 2.91 0.04 -1.26 -0.86 135.00 139.48 2osq s PRO 73 Ca -0.13 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 2osq s PRO 73 Cb -0.05 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 2osq s PRO 73 CO 0.04 -0.56 0.95 -0.51 0.04 0.00 0.00 177.00 176.96 2osq s LEU 74 N 2.17 3.28 -0.17 -3.56 1.43 0.86 -4.91 118.68 117.77 2osq s LEU 74 Ca 0.65 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 2osq s LEU 74 Cb -0.33 -4.08 0.06 0.00 0.03 0.00 0.00 46.19 41.87 2osq s LEU 74 CO 0.28 -0.90 0.41 -0.70 0.23 0.00 0.00 176.35 175.67 2osq s GLU 75 N -5.06 0.37 -0.00 1.70 2.12 -1.26 -2.65 118.70 113.92 2osq s GLU 75 Ca 0.53 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.69 2osq s GLU 75 Cb -0.11 0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.30 2osq s GLU 75 CO 0.50 -0.17 -0.03 0.08 -0.54 0.00 0.00 175.26 175.09 2osq s VAL 76 N 1.58 0.27 0.23 3.70 1.01 -1.26 -1.92 120.40 124.01 2osq s VAL 76 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2osq s VAL 76 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2osq s VAL 76 CO -0.13 0.08 0.20 0.68 0.00 0.00 0.00 175.10 175.93 2osq s VAL 77 N -0.01 0.00 -0.61 2.92 -7.23 -0.55 -4.61 120.40 110.31 2osq s VAL 77 Ca 0.01 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 2osq s VAL 77 Cb -0.02 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2osq s VAL 77 CO -0.00 0.00 1.85 -0.31 -0.31 0.00 0.00 175.10 176.33 2osq s TYR 78 N -3.99 1.67 -0.07 2.82 2.02 -1.26 0.23 117.35 118.76 2osq s TYR 78 Ca 0.38 0.77 -0.37 0.00 -0.37 0.00 0.00 57.07 57.48 2osq s TYR 78 Cb 0.05 -4.10 -0.14 0.00 -0.40 0.00 0.00 41.96 37.37 2osq s TYR 78 CO 0.15 -2.31 1.67 0.45 -1.57 0.00 0.00 175.55 173.93 2osq n SER 79 N 12.66 2.64 -0.04 2.29 2.88 0.90 -4.59 113.62 130.36 2osq n SER 79 Ca 0.20 1.06 0.16 0.00 -1.33 0.00 0.00 58.87 58.96 2osq n SER 79 Cb 0.52 -1.26 0.91 0.00 -0.75 0.00 0.00 64.21 63.63 2osq n SER 79 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10