#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osq n LEU 8 N 0.00 -0.85 -4.83 -4.62 -0.00 -1.26 -4.79 117.00 100.66 2osq n LEU 8 Ca 0.00 -0.65 -0.28 0.00 -0.00 0.00 0.00 56.01 55.07 2osq n LEU 8 Cb 0.00 -1.03 -0.04 0.00 -0.00 0.00 0.00 43.42 42.34 2osq n LEU 8 CO 0.00 -4.16 -0.09 -0.44 -0.00 0.00 0.00 177.39 172.69 2osq s SER 9 N -2.76 4.42 -0.19 1.45 0.01 -1.25 -4.98 113.70 110.38 2osq s SER 9 Ca 0.64 -1.37 -0.22 0.00 1.31 0.00 0.00 55.95 56.31 2osq s SER 9 Cb -0.15 0.31 -0.20 0.00 0.21 0.00 0.00 66.02 66.20 2osq s SER 9 CO 0.57 -0.92 0.30 -1.13 0.41 0.00 0.00 173.24 172.47 2osq h ASN 10 N 1.08 0.00 -3.47 2.44 -1.24 -1.97 -3.44 115.58 108.97 2osq h ASN 10 Ca -0.40 -0.58 -0.61 0.00 0.71 0.00 0.00 56.30 55.42 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 0.65 1.35 -0.74 0.42 -1.29 0.00 0.00 177.43 177.83 2osq s THR 11 N -2.32 1.37 0.00 -3.57 -4.23 -1.26 -4.31 115.64 101.31 2osq s THR 11 Ca -0.26 -2.38 0.00 0.00 -1.18 0.00 0.00 61.69 57.87 2osq s THR 11 Cb 0.04 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.91 2osq s THR 11 CO 0.59 -0.85 0.00 -1.14 -0.54 0.00 0.00 174.62 172.68 2osq n ARG 12 N 3.76 0.00 -4.26 3.99 0.63 -1.26 -4.49 116.66 115.03 2osq n ARG 12 Ca 0.07 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.70 2osq n ARG 12 Cb 0.36 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.10 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 1.71 -0.29 6.15 1.43 0.13 -1.61 118.68 126.20 2osq s LEU 13 Ca 0.00 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2osq s LEU 13 Cb 0.00 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2osq s LEU 13 CO 0.00 -0.02 0.47 0.12 0.23 0.00 0.00 176.35 177.15 2osq s PHE 14 N 1.21 3.24 0.32 0.29 5.36 0.12 0.01 117.98 128.53 2osq s PHE 14 Ca -0.01 0.45 0.07 0.00 -0.96 0.00 0.00 56.93 56.47 2osq s PHE 14 Cb -0.14 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.81 2osq s PHE 14 CO -0.06 -0.33 0.42 0.08 -1.46 0.00 0.00 175.22 173.87 2osq s VAL 15 N 2.25 4.14 0.87 3.12 1.01 0.16 -1.42 120.40 130.52 2osq s VAL 15 Ca 0.18 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 2osq s VAL 15 Cb -0.16 -3.43 0.11 0.00 0.00 0.00 0.00 36.38 32.91 2osq s VAL 15 CO 0.10 -0.19 1.15 -0.13 0.00 0.00 0.00 175.10 176.03 2osq s ARG 16 N -4.11 1.49 -0.03 2.72 0.52 -0.72 -2.18 118.95 116.64 2osq s ARG 16 Ca 0.42 0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 55.60 2osq s ARG 16 Cb -0.09 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 2osq s ARG 16 CO 0.30 -1.95 1.47 -1.25 0.02 0.00 0.00 175.30 173.88 2osq s PRO 17 N -5.36 4.24 0.32 3.54 0.04 -1.26 -3.96 135.00 132.57 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 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2osq s PRO 17 CO 0.52 -0.67 0.55 -0.06 0.04 0.00 0.00 177.00 177.37 2osq s PHE 18 N 2.96 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 119.18 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 -1.48 0.59 0.30 0.24 -0.04 -1.26 -4.56 135.00 128.79 2osq n PRO 19 Ca -0.04 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.57 2osq n PRO 19 Cb 0.55 0.00 0.78 0.00 -0.04 0.00 0.00 33.50 34.79 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 -2.38 1.53 8.10 -2.04 0.31 115.31 120.84 2osq h LEU 20 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2osq h LEU 20 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 2osq h LEU 20 CO 0.00 0.00 0.08 0.47 -4.11 0.00 0.00 178.44 174.88 2osq n ASP 21 N -2.75 3.24 -4.56 0.17 9.92 -1.26 -4.83 116.55 116.48 2osq n ASP 21 Ca -0.02 -2.51 -0.37 0.00 -0.53 0.00 0.00 54.79 51.36 2osq n ASP 21 Cb 0.33 -0.61 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 2osq n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2osq s VAL 22 N -1.74 3.66 0.20 2.53 0.11 0.11 -4.80 120.40 120.48 2osq s VAL 22 Ca 0.26 -0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2osq s VAL 22 Cb 0.20 -4.57 -0.01 0.00 -1.53 0.00 0.00 36.38 30.46 2osq s VAL 22 CO 0.07 -1.50 0.32 0.00 -3.33 0.00 0.00 175.10 170.66 2osq s GLN 23 N 6.00 1.31 0.49 1.54 -2.07 -1.26 -4.90 119.66 120.77 2osq s GLN 23 Ca 0.53 -1.29 0.26 0.00 -1.82 0.00 0.00 55.36 53.04 2osq s GLN 23 Cb -0.05 0.39 1.24 0.00 -1.09 0.00 0.00 33.01 33.49 2osq s GLN 23 CO 0.02 -0.50 1.97 1.05 -1.32 0.00 0.00 175.29 176.52 2osq h GLU 24 N 2.46 0.00 -0.21 9.60 4.11 -1.95 -3.10 114.58 125.49 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 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2osq h GLU 24 CO 0.45 0.16 -0.18 1.03 0.07 0.00 0.00 179.01 180.54 2osq h SER 25 N 0.00 -0.59 -0.47 3.06 0.87 -1.96 0.28 113.55 114.75 2osq h SER 25 Ca -0.00 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2osq h SER 25 Cb 0.51 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2osq h SER 25 CO 0.02 -0.23 -0.23 1.05 -0.53 0.00 0.00 176.83 176.92 2osq h GLU 26 N -0.19 0.98 -0.80 2.24 4.11 -1.85 -1.52 114.58 117.55 2osq h GLU 26 Ca 0.13 -0.43 0.01 0.00 0.07 0.00 0.00 59.36 59.13 2osq h GLU 26 Cb 0.38 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2osq h GLU 26 CO -0.32 1.10 0.52 -0.07 0.07 0.00 0.00 179.01 180.31 2osq h LEU 27 N 0.83 0.92 -0.07 3.06 3.38 -1.36 0.20 115.31 122.28 2osq h LEU 27 Ca 0.10 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 2osq h LEU 27 Cb 0.81 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2osq h LEU 27 CO 0.07 0.67 -0.74 0.78 0.09 0.00 0.00 178.44 179.31 2osq h ASN 28 N 1.09 0.77 1.06 -0.43 2.35 -0.32 0.38 115.58 120.47 2osq h ASN 28 Ca 0.29 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2osq h ASN 28 Cb -0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.02 2osq h ASN 28 CO -0.06 1.35 0.00 -0.33 -1.65 0.00 0.00 177.43 176.74 2osq h GLU 29 N 0.26 0.00 0.00 0.81 5.08 -0.90 0.43 114.58 120.25 2osq h GLU 29 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 2osq h GLU 29 Cb 1.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 2osq h GLU 29 CO 0.15 0.00 -1.39 -0.89 -1.00 0.00 0.00 179.01 175.88 2osq n ILE 30 N -2.93 1.50 1.91 3.13 5.41 0.68 -4.41 119.36 124.65 2osq n ILE 30 Ca 0.01 -0.01 0.16 0.00 1.00 0.00 0.00 62.75 63.90 2osq n ILE 30 Cb 0.31 -2.19 0.88 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 -4.42 0.00 0.28 1.39 3.01 0.13 -4.14 117.46 113.71 2osq n PHE 31 Ca -0.26 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.03 2osq n PHE 31 Cb 0.60 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.98 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 4.98 -1.22 -5.48 1.37 0.00 -0.24 -3.18 103.07 99.29 2osq h GLY 32 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 47.33 47.57 2osq h GLY 32 CO 0.00 -0.37 2.33 -1.55 0.00 0.00 0.00 176.54 176.95 2osq n PRO 33 N -5.23 1.79 0.00 4.80 -0.04 -1.26 -3.05 135.00 132.01 2osq n PRO 33 Ca -0.11 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 2osq n PRO 33 Cb 0.42 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 4.26 -0.17 0.00 0.54 3.72 -1.20 -5.08 117.46 119.52 2osq n PHE 34 Ca 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 2osq n PHE 34 Cb 0.12 0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.25 -0.29 3.56 1.37 0.00 -1.17 -4.65 105.19 104.25 2osq n GLY 35 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 2.54 -0.25 1.61 0.04 -1.26 -4.86 135.00 130.82 2osq s PRO 36 Ca 0.00 -0.48 -0.28 0.00 0.04 0.00 0.00 61.00 60.28 2osq s PRO 36 Cb 0.00 -5.10 -0.05 0.00 0.04 0.00 0.00 34.50 29.39 2osq s PRO 36 CO 0.00 -3.51 2.20 0.00 0.04 0.00 0.00 177.00 175.74 2osq s MET 37 N 6.88 3.06 0.27 4.56 0.23 -1.26 -0.78 119.30 132.27 2osq s MET 37 Ca 0.70 1.93 -0.01 0.00 -1.03 0.00 0.00 55.69 57.27 2osq s MET 37 Cb -0.05 -4.38 0.45 0.00 -1.53 0.00 0.00 34.83 29.31 2osq s MET 37 CO 0.02 -2.19 1.87 -0.22 -2.03 0.00 0.00 175.02 172.48 2osq h LYS 38 N 15.28 1.10 -2.40 3.16 1.63 -0.83 -3.45 116.57 131.07 2osq h LYS 38 Ca -0.39 -0.07 0.13 0.00 -0.85 0.00 0.00 60.65 59.47 2osq h LYS 38 Cb 1.24 -0.25 -0.11 0.00 -0.60 0.00 0.00 32.23 32.51 2osq h LYS 38 CO 0.98 0.73 0.45 -2.00 -3.45 0.00 0.00 179.45 176.17 2osq s GLU 39 N -6.01 1.09 -0.07 1.90 2.12 -0.28 -4.98 118.70 112.45 2osq s GLU 39 Ca -0.12 -0.52 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 2osq s GLU 39 Cb 0.21 0.42 0.03 0.00 0.26 0.00 0.00 34.13 35.04 2osq s GLU 39 CO 0.81 -0.49 0.19 0.14 -0.54 0.00 0.00 175.26 175.37 2osq s VAL 40 N -3.29 -0.02 -0.07 3.70 -7.23 -1.26 -0.91 120.40 111.33 2osq s VAL 40 Ca 0.08 0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.37 2osq s VAL 40 Cb -0.01 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 2osq s VAL 40 CO -0.03 0.02 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.01 2osq s LYS 41 N 0.51 2.66 -0.21 4.82 3.01 0.93 -4.99 119.74 126.46 2osq s LYS 41 Ca -0.03 -0.88 -0.02 0.00 -1.01 0.00 0.00 55.97 54.02 2osq s LYS 41 Cb -0.05 -2.22 0.06 0.00 -1.01 0.00 0.00 37.83 34.62 2osq s LYS 41 CO -0.02 0.36 0.04 0.96 0.51 0.00 0.00 175.35 177.19 2osq s ILE 42 N -0.10 0.61 0.07 2.17 -0.00 -1.26 -0.24 121.20 122.45 2osq s ILE 42 Ca -0.05 -0.68 0.08 0.00 -0.00 0.00 0.00 60.65 59.99 2osq s ILE 42 Cb -0.14 -1.14 -0.03 0.00 -0.00 0.00 0.00 42.46 41.15 2osq s ILE 42 CO 0.04 -0.26 -0.21 -0.76 -0.00 0.00 0.00 174.94 173.76 2osq s LEU 43 N 1.81 2.24 -0.77 0.37 1.43 -0.53 -4.95 118.68 118.27 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 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 2osq s LEU 43 CO -0.10 0.11 2.27 0.20 0.23 0.00 0.00 176.35 179.07 2osq s ASN 44 N -1.55 4.32 0.00 2.29 0.02 -1.26 -1.28 114.94 117.47 2osq s ASN 44 Ca 0.07 0.02 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 2osq s ASN 44 Cb -0.09 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.63 2osq s ASN 44 CO 0.03 -3.42 0.00 0.61 0.02 0.00 0.00 177.10 174.34 2osq n GLY 45 N 6.67 1.24 3.56 0.66 0.00 -1.26 -5.09 105.19 110.96 2osq n GLY 45 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.33 -0.39 0.12 1.61 -0.12 -0.41 -4.07 117.98 114.39 2osq s PHE 46 Ca 0.00 0.61 0.06 0.00 -0.05 0.00 0.00 56.93 57.54 2osq s PHE 46 Cb 0.00 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2osq s PHE 46 CO 0.00 -0.40 -0.14 0.00 -0.05 0.00 0.00 175.22 174.63 2osq s ALA 47 N -1.47 1.44 0.03 1.99 0.00 -0.93 -1.46 121.76 121.37 2osq s ALA 47 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2osq s ALA 47 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2osq s ALA 47 CO 0.01 0.09 -0.04 -0.06 0.00 0.00 0.00 175.76 175.76 2osq s PHE 48 N -2.11 0.39 -0.13 0.00 0.40 0.66 0.35 117.98 117.54 2osq s PHE 48 Ca 0.08 -0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 2osq s PHE 48 Cb -0.05 -0.26 0.07 0.00 0.51 0.00 0.00 43.02 43.28 2osq s PHE 48 CO 0.03 -0.18 0.20 0.08 0.70 0.00 0.00 175.22 176.04 2osq s VAL 49 N -1.74 -0.32 -0.37 -0.44 1.01 0.10 -0.05 120.40 118.60 2osq s VAL 49 Ca -0.12 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2osq s VAL 49 Cb -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.88 2osq s VAL 49 CO -0.02 0.03 0.19 -0.70 0.00 0.00 0.00 175.10 174.60 2osq s GLU 50 N 2.33 2.79 0.27 2.72 2.12 -0.08 0.20 118.70 129.05 2osq s GLU 50 Ca 0.04 -1.10 -0.19 0.00 0.36 0.00 0.00 54.97 54.09 2osq s GLU 50 Cb -0.13 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.49 2osq s GLU 50 CO -0.08 -0.69 0.75 -0.06 -0.54 0.00 0.00 175.26 174.64 2osq s PHE 51 N 1.52 3.55 -1.54 5.30 0.08 -1.26 -0.21 117.98 125.42 2osq s PHE 51 Ca 0.01 1.37 0.21 0.00 0.12 0.00 0.00 56.93 58.64 2osq s PHE 51 Cb -0.19 -2.62 1.10 0.00 -0.57 0.00 0.00 43.02 40.74 2osq s PHE 51 CO 0.06 0.23 1.67 -1.91 -0.10 0.00 0.00 175.22 175.17 2osq n GLU 52 N 0.32 0.37 -3.82 0.44 0.00 0.04 -4.52 120.64 113.47 2osq n GLU 52 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 57.16 57.03 2osq n GLU 52 Cb 0.52 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 30.29 2osq n GLU 52 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2osq s GLU 53 N -2.46 0.36 0.29 5.31 0.41 -1.26 -4.99 118.70 116.35 2osq s GLU 53 Ca 0.22 0.15 0.03 0.00 -0.41 0.00 0.00 54.97 54.96 2osq s GLU 53 Cb 0.14 -0.69 0.66 0.00 -1.78 0.00 0.00 34.13 32.46 2osq s GLU 53 CO 0.30 -0.24 1.76 0.00 -0.49 0.00 0.00 175.26 176.59 2osq h ALA 54 N 7.93 1.48 0.11 5.21 0.00 -1.81 -1.35 119.26 130.82 2osq h ALA 54 Ca -0.27 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2osq h ALA 54 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2osq h ALA 54 CO 0.32 -0.12 -0.13 1.49 0.00 0.00 0.00 179.25 180.81 2osq h GLU 55 N 0.64 -0.26 -0.92 0.00 4.81 -1.96 0.20 114.58 117.10 2osq h GLU 55 Ca 0.53 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.89 2osq h GLU 55 Cb 0.84 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 2osq h GLU 55 CO -0.40 -0.17 0.59 0.77 -0.73 0.00 0.00 179.01 179.06 2osq h SER 56 N -0.27 0.82 0.14 1.04 0.02 -1.54 -0.48 113.55 113.27 2osq h SER 56 Ca 0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2osq h SER 56 Cb 0.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2osq h SER 56 CO -0.05 0.47 -0.07 0.00 -1.14 0.00 0.00 176.83 176.04 2osq h ALA 57 N 1.55 -0.19 -0.66 3.77 0.00 -0.81 -1.17 119.26 121.76 2osq h ALA 57 Ca 0.44 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.27 2osq h ALA 57 Cb 0.46 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2osq h ALA 57 CO -0.20 -0.34 0.45 0.00 0.00 0.00 0.00 179.25 179.17 2osq h ALA 58 N -0.00 2.31 0.07 0.00 0.00 -0.22 -1.04 119.26 120.37 2osq h ALA 58 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2osq h ALA 58 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2osq h ALA 58 CO 0.03 -0.49 -0.03 0.87 0.00 0.00 0.00 179.25 179.63 2osq h LYS 59 N 0.22 -0.09 -0.92 0.00 1.79 -1.06 -3.23 116.57 113.28 2osq h LYS 59 Ca 0.32 0.01 0.23 0.00 -2.18 0.00 0.00 60.65 59.02 2osq h LYS 59 Cb 0.94 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.55 2osq h LYS 59 CO -0.06 0.42 0.62 0.00 -1.08 0.00 0.00 179.45 179.34 2osq h ALA 60 N -0.36 2.39 -0.60 3.86 0.00 -0.73 0.37 119.26 124.19 2osq h ALA 60 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2osq h ALA 60 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2osq h ALA 60 CO 0.02 -0.68 0.12 0.82 0.00 0.00 0.00 179.25 179.52 2osq h ILE 61 N 0.29 1.25 0.00 0.00 2.04 -1.27 0.33 117.51 120.14 2osq h ILE 61 Ca 0.47 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2osq h ILE 61 Cb 1.36 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2osq h ILE 61 CO -0.14 0.35 -0.60 -0.62 0.00 0.00 0.00 178.15 177.13 2osq n GLU 62 N -4.24 0.11 -0.04 2.37 1.02 0.56 -3.35 120.64 117.07 2osq n GLU 62 Ca 0.04 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2osq n GLU 62 Cb 0.26 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.72 0.27 -0.12 3.49 -0.58 0.10 -4.56 120.64 117.52 2osq n GLU 63 Ca 0.04 0.32 -0.05 0.00 -0.42 0.00 0.00 57.16 57.05 2osq n GLU 63 Cb 0.38 -1.21 0.03 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.57 0.83 -1.64 2.62 2.07 -0.57 -3.42 116.25 115.57 2osq h VAL 64 Ca 0.00 -0.08 -0.71 0.00 0.82 0.00 0.00 66.70 66.73 2osq h VAL 64 Cb 0.37 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2osq h VAL 64 CO 0.00 0.04 0.98 1.57 0.02 0.00 0.00 177.57 180.19 2osq n HIS 65 N -5.06 2.11 -0.05 1.57 -0.00 -1.21 -0.43 115.22 112.14 2osq n HIS 65 Ca 0.03 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 2osq n HIS 65 Cb 0.17 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 27.64 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 4.38 0.83 2.87 1.57 0.00 -1.12 -4.91 105.19 108.82 2osq n GLY 66 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.03 -0.56 -4.35 1.61 5.02 0.43 -4.82 118.16 113.45 2osq n LYS 67 Ca 0.00 -1.72 -0.23 0.00 -2.02 0.00 0.00 58.31 54.34 2osq n LYS 67 Cb 0.00 -0.81 -0.13 0.00 -0.02 0.00 0.00 35.03 34.07 2osq n LYS 67 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2osq s SER 68 N -4.38 2.31 -0.29 4.39 1.04 -1.26 -0.07 113.70 115.44 2osq s SER 68 Ca 0.53 -0.62 -0.23 0.00 0.48 0.00 0.00 55.95 56.11 2osq s SER 68 Cb -0.02 -0.14 0.15 0.00 0.10 0.00 0.00 66.02 66.12 2osq s SER 68 CO 0.37 0.06 1.17 0.12 0.98 0.00 0.00 173.24 175.94 2osq s PHE 69 N -1.06 -0.33 -1.46 5.02 5.36 0.19 -4.84 117.98 120.86 2osq s PHE 69 Ca 0.05 0.77 -0.10 0.00 -0.96 0.00 0.00 56.93 56.69 2osq s PHE 69 Cb -0.10 0.38 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 2osq s PHE 69 CO 0.03 -0.16 0.86 0.00 -1.46 0.00 0.00 175.22 174.49 2osq n ALA 70 N 2.23 -1.18 -2.10 11.12 0.00 -1.26 -0.47 120.51 128.85 2osq n ALA 70 Ca -0.13 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 2osq n ALA 70 Cb 0.56 -4.28 -0.04 0.00 0.00 0.00 0.00 19.45 15.69 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 -2.71 -5.78 -3.88 0.00 3.02 -1.26 -4.97 115.26 99.68 2osq n ASN 71 Ca -0.01 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.62 2osq n ASN 71 Cb 0.55 -4.91 -0.12 0.00 -0.61 0.00 0.00 39.78 34.69 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 -4.56 0.24 0.05 3.52 -0.21 0.38 -5.13 119.66 113.94 2osq s GLN 72 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.36 54.89 2osq s GLN 72 Cb 0.00 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 34.04 2osq s GLN 72 CO 0.00 -0.04 1.41 -1.25 -2.12 0.00 0.00 175.29 173.29 2osq s PRO 73 N -0.65 4.29 0.59 2.91 0.04 -1.26 -0.63 135.00 140.29 2osq s PRO 73 Ca -0.07 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.90 2osq s PRO 73 Cb -0.04 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2osq s PRO 73 CO 0.00 -0.53 0.96 -0.51 0.04 0.00 0.00 177.00 176.96 2osq s LEU 74 N 1.95 3.28 -0.18 -3.56 1.43 0.90 -4.92 118.68 117.58 2osq s LEU 74 Ca 0.65 1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 54.80 2osq s LEU 74 Cb -0.34 -4.09 0.06 0.00 0.03 0.00 0.00 46.19 41.85 2osq s LEU 74 CO 0.28 -0.90 0.42 -0.70 0.23 0.00 0.00 176.35 175.69 2osq s GLU 75 N -5.07 0.40 -0.01 1.70 2.12 -1.26 -2.77 118.70 113.81 2osq s GLU 75 Ca 0.53 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.72 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 -0.05 0.08 -0.54 0.00 0.00 175.26 175.08 2osq s VAL 76 N 1.55 0.39 0.23 3.70 1.01 -1.26 -1.75 120.40 124.27 2osq s VAL 76 Ca -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2osq s VAL 76 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2osq s VAL 76 CO -0.13 0.12 0.22 0.68 0.00 0.00 0.00 175.10 175.99 2osq s VAL 77 N -0.02 0.00 -0.59 2.92 -7.23 -0.51 -4.56 120.40 110.41 2osq s VAL 77 Ca 0.01 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 58.02 2osq s VAL 77 Cb -0.03 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 2osq s VAL 77 CO -0.00 0.00 1.64 -0.31 -0.31 0.00 0.00 175.10 176.12 2osq s TYR 78 N -3.97 1.94 -0.24 2.82 2.02 -1.26 0.13 117.35 118.79 2osq s TYR 78 Ca 0.36 0.56 -0.36 0.00 -0.37 0.00 0.00 57.07 57.26 2osq s TYR 78 Cb 0.05 -4.26 -0.12 0.00 -0.40 0.00 0.00 41.96 37.22 2osq s TYR 78 CO 0.14 -2.25 1.96 0.43 -1.57 0.00 0.00 175.55 174.27 2osq n SER 79 N 11.13 2.69 0.00 2.29 7.64 -0.63 -4.64 113.62 132.10 2osq n SER 79 Ca 0.16 0.79 0.07 0.00 1.01 0.00 0.00 58.87 60.90 2osq n SER 79 Cb 0.50 -1.27 0.43 0.00 -1.01 0.00 0.00 64.21 62.86 2osq n SER 79 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32