#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 1.00 0.52 -4.62 0.05 -1.26 -4.86 118.68 109.50 2osq s LEU 8 Ca 0.00 1.21 0.08 0.00 0.05 0.00 0.00 54.13 55.47 2osq s LEU 8 Cb 0.00 -3.18 0.04 0.00 -2.05 0.00 0.00 46.19 41.00 2osq s LEU 8 CO 0.00 -3.80 0.58 -0.44 -0.55 0.00 0.00 176.35 172.14 2osq s SER 9 N -3.13 5.05 -0.18 1.48 0.01 -1.26 -5.02 113.70 110.65 2osq s SER 9 Ca 0.67 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.84 2osq s SER 9 Cb -0.20 0.03 -0.19 0.00 0.21 0.00 0.00 66.02 65.87 2osq s SER 9 CO 0.60 -1.07 0.34 -1.13 0.41 0.00 0.00 173.24 172.39 2osq h ASN 10 N 0.55 0.00 -3.37 2.44 -1.24 -1.97 -3.44 115.58 108.55 2osq h ASN 10 Ca -0.35 -0.59 -0.60 0.00 0.71 0.00 0.00 56.30 55.46 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 0.49 1.23 -0.75 0.42 -1.29 0.00 0.00 177.43 177.53 2osq s THR 11 N -2.27 1.21 0.00 -3.57 -4.23 -1.26 -4.35 115.64 101.16 2osq s THR 11 Ca -0.23 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 57.95 2osq s THR 11 Cb 0.03 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2osq s THR 11 CO 0.56 -0.88 0.00 -1.14 -0.54 0.00 0.00 174.62 172.62 2osq n ARG 12 N 3.76 0.00 -4.38 3.99 0.63 -1.26 -4.43 116.66 114.97 2osq n ARG 12 Ca 0.08 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.69 2osq n ARG 12 Cb 0.36 0.00 -0.16 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 2.03 -0.25 6.15 1.43 0.40 -0.23 118.68 128.21 2osq s LEU 13 Ca 0.00 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2osq s LEU 13 Cb 0.00 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2osq s LEU 13 CO 0.00 0.03 0.45 0.12 0.23 0.00 0.00 176.35 177.18 2osq s PHE 14 N 1.08 3.29 0.39 0.29 5.36 0.15 -0.37 117.98 128.17 2osq s PHE 14 Ca -0.01 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2osq s PHE 14 Cb -0.14 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.91 2osq s PHE 14 CO -0.07 -0.20 0.51 0.08 -1.46 0.00 0.00 175.22 174.09 2osq s VAL 15 N 1.98 3.38 0.86 3.12 1.01 0.14 -0.91 120.40 129.98 2osq s VAL 15 Ca 0.19 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2osq s VAL 15 Cb -0.15 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.19 2osq s VAL 15 CO 0.09 -0.06 1.15 -0.13 0.00 0.00 0.00 175.10 176.15 2osq s ARG 16 N -4.26 1.53 -0.05 2.72 0.52 -0.75 -1.91 118.95 116.74 2osq s ARG 16 Ca 0.51 0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.65 2osq s ARG 16 Cb -0.09 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 2osq s ARG 16 CO 0.32 -1.92 1.49 -1.25 0.02 0.00 0.00 175.30 173.95 2osq s PRO 17 N -5.39 4.23 0.33 3.54 0.04 -1.26 -3.87 135.00 132.62 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 -0.13 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2osq s PRO 17 CO 0.52 -0.72 0.55 -0.06 0.04 0.00 0.00 177.00 177.33 2osq s PHE 18 N 3.28 3.50 0.00 0.56 0.40 -1.26 -4.96 117.98 119.49 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 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.25 2osq s PHE 18 CO 0.26 0.13 0.00 -0.35 0.70 0.00 0.00 175.22 175.96 2osq n PRO 19 N -1.49 0.74 0.33 0.24 -0.04 -1.26 -4.54 135.00 128.98 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 34.83 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 -2.36 1.53 8.10 -2.04 0.34 115.31 120.88 2osq h LEU 20 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 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 0.09 0.47 -4.11 0.00 0.00 178.44 174.89 2osq n ASP 21 N -2.87 3.15 -4.56 0.17 8.00 -1.26 -4.82 116.55 114.37 2osq n ASP 21 Ca -0.02 -2.50 -0.38 0.00 0.71 0.00 0.00 54.79 52.60 2osq n ASP 21 Cb 0.37 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 3.75 0.24 2.53 0.11 0.12 -4.77 120.40 120.72 2osq s VAL 22 Ca 0.24 -0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 58.82 2osq s VAL 22 Cb 0.19 -4.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.28 2osq s VAL 22 CO 0.06 -1.66 0.36 0.00 -3.33 0.00 0.00 175.10 170.54 2osq s GLN 23 N 5.67 1.48 0.56 1.54 -2.07 -1.26 -4.92 119.66 120.66 2osq s GLN 23 Ca 0.50 -1.44 0.36 0.00 -1.82 0.00 0.00 55.36 52.95 2osq s GLN 23 Cb -0.04 0.40 1.57 0.00 -1.09 0.00 0.00 33.01 33.85 2osq s GLN 23 CO -0.01 -0.58 2.05 1.05 -1.32 0.00 0.00 175.29 176.48 2osq h GLU 24 N 2.36 0.00 -0.20 9.60 4.11 -1.95 -3.07 114.58 125.43 2osq h GLU 24 Ca -0.29 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.17 2osq h GLU 24 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2osq h GLU 24 CO 0.41 0.00 -0.01 1.03 0.07 0.00 0.00 179.01 180.51 2osq h SER 25 N 0.00 -0.10 -0.06 3.06 0.87 -1.95 0.42 113.55 115.78 2osq h SER 25 Ca 0.00 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 2osq h SER 25 Cb 0.41 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2osq h SER 25 CO 0.00 -0.03 -0.48 1.05 -0.53 0.00 0.00 176.83 176.84 2osq h GLU 26 N 0.05 0.62 -0.77 2.24 4.11 -1.84 -1.21 114.58 117.78 2osq h GLU 26 Ca 0.09 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 2osq h GLU 26 Cb 0.12 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2osq h GLU 26 CO -0.17 0.97 0.46 -0.07 0.07 0.00 0.00 179.01 180.27 2osq h LEU 27 N 0.49 0.93 -0.08 3.06 3.38 -1.43 0.24 115.31 121.90 2osq h LEU 27 Ca 0.03 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.68 2osq h LEU 27 Cb 1.02 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.55 2osq h LEU 27 CO 0.10 0.72 -0.99 0.78 0.09 0.00 0.00 178.44 179.14 2osq h ASN 28 N 1.05 0.78 1.14 -0.43 2.35 -0.87 0.37 115.58 119.97 2osq h ASN 28 Ca 0.28 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2osq h ASN 28 Cb -0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.10 2osq h ASN 28 CO -0.05 1.41 0.00 -0.33 -1.65 0.00 0.00 177.43 176.81 2osq h GLU 29 N 0.35 0.00 0.00 0.81 5.08 -0.95 0.39 114.58 120.25 2osq h GLU 29 Ca -0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 2osq h GLU 29 Cb 1.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2osq h GLU 29 CO 0.19 0.00 -1.74 -0.89 -1.00 0.00 0.00 179.01 175.56 2osq n ILE 30 N -3.00 1.51 1.88 3.13 5.41 0.81 -4.45 119.36 124.65 2osq n ILE 30 Ca 0.01 -0.12 0.16 0.00 1.00 0.00 0.00 62.75 63.80 2osq n ILE 30 Cb 0.33 -2.12 0.85 0.00 -0.71 0.00 0.00 39.64 37.99 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 0.31 1.39 3.01 0.13 -4.15 117.46 113.79 2osq n PHE 31 Ca -0.34 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 57.94 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 4.97 -1.28 -5.48 1.37 0.00 -0.32 -3.18 103.07 99.15 2osq h GLY 32 Ca 0.00 0.59 -0.32 0.00 0.00 0.00 0.00 47.33 47.60 2osq h GLY 32 CO 0.00 -0.38 2.33 -1.55 0.00 0.00 0.00 176.54 176.93 2osq n PRO 33 N -5.52 1.79 0.00 4.80 -0.04 -1.26 -3.01 135.00 131.76 2osq n PRO 33 Ca -0.12 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 2osq n PRO 33 Cb 0.47 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 4.25 -0.24 0.00 0.54 3.72 -1.20 -5.09 117.46 119.44 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 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.01 0.04 3.56 1.37 0.00 -1.16 -4.71 105.19 104.27 2osq n GLY 35 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 0.02 -0.28 0.00 0.04 0.00 0.00 61.00 60.77 2osq s PRO 36 Cb 0.00 -4.83 -0.05 0.00 0.04 0.00 0.00 34.50 29.66 2osq s PRO 36 CO 0.00 -3.15 2.09 -1.64 0.04 0.00 0.00 177.00 174.34 2osq s MET 37 N 7.02 3.38 0.39 4.56 -1.94 -1.26 -0.95 119.30 130.51 2osq s MET 37 Ca 0.69 2.06 0.09 0.00 -1.71 0.00 0.00 55.69 56.82 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 -1.81 1.95 -0.22 -0.01 0.00 0.00 175.02 175.00 2osq h LYS 38 N 13.73 0.33 -2.24 2.03 1.63 -0.63 -3.44 116.57 127.98 2osq h LYS 38 Ca -0.41 -0.06 0.17 0.00 -0.85 0.00 0.00 60.65 59.50 2osq h LYS 38 Cb 1.23 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.70 2osq h LYS 38 CO 0.97 0.38 0.52 -2.00 -3.45 0.00 0.00 179.45 175.86 2osq s GLU 39 N -4.95 1.02 -0.15 1.90 2.56 0.16 -4.97 118.70 114.27 2osq s GLU 39 Ca -0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 54.97 54.30 2osq s GLU 39 Cb 0.16 0.37 0.05 0.00 2.00 0.00 0.00 34.13 36.72 2osq s GLU 39 CO 0.73 -0.46 0.37 0.14 -0.56 0.00 0.00 175.26 175.48 2osq s VAL 40 N -3.16 -0.03 -0.08 3.70 -7.23 -1.26 -0.81 120.40 111.53 2osq s VAL 40 Ca 0.11 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.41 2osq s VAL 40 Cb -0.01 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2osq s VAL 40 CO -0.01 0.04 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.08 2osq s LYS 41 N 1.26 2.82 -0.20 4.82 -0.14 0.11 -4.98 119.74 123.42 2osq s LYS 41 Ca -0.09 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 53.70 2osq s LYS 41 Cb -0.08 -2.35 0.06 0.00 -1.68 0.00 0.00 37.83 33.78 2osq s LYS 41 CO -0.11 0.36 0.02 0.96 -0.76 0.00 0.00 175.35 175.83 2osq s ILE 42 N -0.08 0.66 0.05 2.17 -0.00 -1.26 -0.04 121.20 122.69 2osq s ILE 42 Ca -0.04 -0.66 0.08 0.00 -0.00 0.00 0.00 60.65 60.03 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 -0.20 -0.21 -0.76 -0.00 0.00 0.00 174.94 173.81 2osq s LEU 43 N 1.80 2.18 -0.67 0.37 1.43 -0.57 -4.98 118.68 118.23 2osq s LEU 43 Ca -0.02 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 2osq s LEU 43 Cb -0.17 -1.00 -0.10 0.00 0.03 0.00 0.00 46.19 44.94 2osq s LEU 43 CO -0.08 0.16 2.36 0.20 0.23 0.00 0.00 176.35 179.23 2osq s ASN 44 N -1.24 4.23 0.00 2.29 0.02 -1.26 -1.06 114.94 117.92 2osq s ASN 44 Ca 0.08 0.45 0.00 0.00 -1.02 0.00 0.00 52.86 52.37 2osq s ASN 44 Cb -0.09 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.65 2osq s ASN 44 CO 0.02 -3.35 0.00 0.61 0.02 0.00 0.00 177.10 174.40 2osq n GLY 45 N 6.43 1.38 3.57 0.66 0.00 -1.26 -5.10 105.19 110.87 2osq n GLY 45 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.63 -0.43 0.24 1.61 -0.12 -0.22 -3.98 117.98 114.45 2osq s PHE 46 Ca 0.00 0.76 0.10 0.00 -0.05 0.00 0.00 56.93 57.74 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 -0.39 -0.17 0.00 -0.05 0.00 0.00 175.22 174.61 2osq s ALA 47 N -1.05 2.38 -0.01 1.99 0.00 -0.80 -1.51 121.76 122.76 2osq s ALA 47 Ca -0.03 -1.77 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 2osq s ALA 47 Cb -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2osq s ALA 47 CO 0.03 0.16 0.31 -0.06 0.00 0.00 0.00 175.76 176.20 2osq s PHE 48 N -2.75 -0.17 -0.13 0.00 0.08 0.94 0.27 117.98 116.22 2osq s PHE 48 Ca 0.26 0.22 -0.05 0.00 0.12 0.00 0.00 56.93 57.48 2osq s PHE 48 Cb -0.03 0.09 0.06 0.00 -0.57 0.00 0.00 43.02 42.58 2osq s PHE 48 CO 0.11 -0.40 0.27 0.54 -0.10 0.00 0.00 175.22 175.63 2osq s VAL 49 N -1.49 -0.39 -0.37 -0.44 0.11 0.50 0.06 120.40 118.38 2osq s VAL 49 Ca -0.12 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2osq s VAL 49 Cb -0.05 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2osq s VAL 49 CO 0.03 0.11 0.20 -0.70 -3.33 0.00 0.00 175.10 171.42 2osq s GLU 50 N 2.32 2.80 0.38 1.54 2.12 0.01 -0.46 118.70 127.41 2osq s GLU 50 Ca 0.00 -1.10 -0.20 0.00 0.36 0.00 0.00 54.97 54.03 2osq s GLU 50 Cb -0.12 -3.72 -0.10 0.00 0.26 0.00 0.00 34.13 30.45 2osq s GLU 50 CO -0.09 -0.71 0.89 -0.06 -0.54 0.00 0.00 175.26 174.75 2osq s PHE 51 N 1.54 3.39 -1.81 5.30 0.08 -1.26 0.02 117.98 125.24 2osq s PHE 51 Ca 0.02 1.53 0.26 0.00 0.12 0.00 0.00 56.93 58.85 2osq s PHE 51 Cb -0.19 -2.78 1.45 0.00 -0.57 0.00 0.00 43.02 40.93 2osq s PHE 51 CO 0.06 0.00 1.88 -1.91 -0.10 0.00 0.00 175.22 175.16 2osq n GLU 52 N -0.35 0.66 -3.71 0.44 2.13 -0.12 -4.45 120.64 115.23 2osq n GLU 52 Ca 0.05 0.02 -0.17 0.00 0.66 0.00 0.00 57.16 57.72 2osq n GLU 52 Cb 0.53 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.58 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 -2.19 -0.02 0.29 5.31 0.41 -1.26 -4.98 118.70 116.26 2osq s GLU 53 Ca 0.34 0.35 0.04 0.00 -0.41 0.00 0.00 54.97 55.29 2osq s GLU 53 Cb 0.17 -0.34 0.70 0.00 -1.78 0.00 0.00 34.13 32.89 2osq s GLU 53 CO 0.33 -0.25 1.75 0.00 -0.49 0.00 0.00 175.26 176.60 2osq h ALA 54 N 7.89 1.54 0.11 5.21 0.00 -1.82 -1.25 119.26 130.94 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 1.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2osq h ALA 54 CO 0.29 -0.14 -0.15 1.49 0.00 0.00 0.00 179.25 180.74 2osq h GLU 55 N 0.64 -0.30 -0.87 0.00 4.81 -1.96 0.19 114.58 117.09 2osq h GLU 55 Ca 0.55 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.90 2osq h GLU 55 Cb 0.91 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2osq h GLU 55 CO -0.42 -0.20 0.57 0.77 -0.73 0.00 0.00 179.01 179.00 2osq h SER 56 N -0.31 0.79 0.13 1.04 0.02 -1.54 -0.36 113.55 113.33 2osq h SER 56 Ca 0.02 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2osq h SER 56 Cb 0.31 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2osq h SER 56 CO -0.07 0.48 -0.06 0.00 -1.14 0.00 0.00 176.83 176.03 2osq h ALA 57 N 1.56 -0.18 -0.44 3.77 0.00 -0.76 -0.53 119.26 122.68 2osq h ALA 57 Ca 0.40 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2osq h ALA 57 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2osq h ALA 57 CO -0.16 -0.36 0.31 0.00 0.00 0.00 0.00 179.25 179.03 2osq h ALA 58 N 0.08 2.20 0.06 0.00 0.00 -0.26 -1.09 119.26 120.26 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 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2osq h ALA 58 CO 0.03 -0.31 -0.03 0.87 0.00 0.00 0.00 179.25 179.81 2osq h LYS 59 N 0.16 -0.08 -0.90 0.00 1.79 -1.02 -3.24 116.57 113.28 2osq h LYS 59 Ca 0.20 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.88 2osq h LYS 59 Cb 0.60 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.21 2osq h LYS 59 CO -0.03 0.43 0.60 0.00 -1.08 0.00 0.00 179.45 179.36 2osq h ALA 60 N -0.40 2.23 -0.30 3.86 0.00 -0.76 0.41 119.26 124.30 2osq h ALA 60 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2osq h ALA 60 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2osq h ALA 60 CO 0.01 -0.51 -0.01 0.82 0.00 0.00 0.00 179.25 179.56 2osq h ILE 61 N 0.39 1.19 0.00 0.00 2.04 -1.29 0.26 117.51 120.10 2osq h ILE 61 Ca 0.47 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2osq h ILE 61 Cb 1.18 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2osq h ILE 61 CO -0.17 0.25 -1.27 1.21 0.00 0.00 0.00 178.15 178.17 2osq n GLU 62 N -4.29 0.62 -0.02 2.37 2.13 0.78 -3.51 120.64 118.72 2osq n GLU 62 Ca 0.01 0.13 -0.01 0.00 0.66 0.00 0.00 57.16 57.95 2osq n GLU 62 Cb 0.24 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 30.16 2osq n GLU 62 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2osq h GLU 63 N 0.00 0.00 -0.93 5.31 4.39 0.01 -3.37 114.58 119.99 2osq h GLU 63 Ca -0.07 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.85 2osq h GLU 63 Cb 1.24 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 2osq h GLU 63 CO 0.02 0.00 0.62 0.28 -1.16 0.00 0.00 179.01 178.76 2osq h VAL 64 N -0.30 0.64 -2.28 3.13 2.07 -0.72 -3.41 116.25 115.38 2osq h VAL 64 Ca 0.00 -0.13 -0.56 0.00 0.82 0.00 0.00 66.70 66.83 2osq h VAL 64 Cb 0.07 0.23 0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2osq h VAL 64 CO 0.00 0.07 1.13 1.57 0.02 0.00 0.00 177.57 180.36 2osq n HIS 65 N -4.51 2.47 -0.50 1.57 -0.00 -1.23 -0.86 115.22 112.16 2osq n HIS 65 Ca 0.20 -0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2osq n HIS 65 Cb 0.75 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 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 0.75 2.39 1.57 0.00 -1.14 -4.94 105.19 108.16 2osq n GLY 66 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.38 -1.06 -4.67 1.61 4.76 -0.04 -4.75 118.16 111.63 2osq n LYS 67 Ca 0.00 -1.26 -0.27 0.00 -2.87 0.00 0.00 58.31 53.91 2osq n LYS 67 Cb 0.00 -0.89 -0.14 0.00 -1.84 0.00 0.00 35.03 32.16 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 -3.94 2.82 -0.29 4.39 1.04 -1.26 -0.11 113.70 116.34 2osq s SER 68 Ca 0.47 -0.59 -0.18 0.00 0.48 0.00 0.00 55.95 56.13 2osq s SER 68 Cb -0.02 -0.23 0.16 0.00 0.10 0.00 0.00 66.02 66.03 2osq s SER 68 CO 0.33 0.19 1.08 0.12 0.98 0.00 0.00 173.24 175.94 2osq s PHE 69 N -0.87 -0.41 -1.42 5.02 2.19 -0.13 -4.84 117.98 117.51 2osq s PHE 69 Ca 0.10 0.85 -0.06 0.00 0.33 0.00 0.00 56.93 58.15 2osq s PHE 69 Cb -0.09 0.29 0.01 0.00 -1.31 0.00 0.00 43.02 41.91 2osq s PHE 69 CO 0.03 -0.20 0.81 0.00 1.83 0.00 0.00 175.22 177.68 2osq n ALA 70 N 3.20 -1.06 -2.75 11.12 0.00 -1.26 -1.68 120.51 128.07 2osq n ALA 70 Ca -0.17 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 2osq n ALA 70 Cb 0.57 -4.40 0.01 0.00 0.00 0.00 0.00 19.45 15.63 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 -2.54 -5.88 -3.74 0.00 3.02 -1.26 -4.97 115.26 99.88 2osq n ASN 71 Ca -0.06 -0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.19 2osq n ASN 71 Cb 0.59 -4.82 -0.08 0.00 -0.61 0.00 0.00 39.78 34.86 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 -5.42 0.70 0.01 3.52 -0.21 -0.68 -5.14 119.66 112.45 2osq s GLN 72 Ca 0.17 -0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 2osq s GLN 72 Cb -0.08 0.31 -0.06 0.00 1.00 0.00 0.00 33.01 34.19 2osq s GLN 72 CO 0.21 -0.20 1.44 -1.25 -2.12 0.00 0.00 175.29 173.37 2osq s PRO 73 N -1.36 4.27 0.68 2.91 0.04 -1.26 -0.96 135.00 139.33 2osq s PRO 73 Ca -0.13 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 2osq s PRO 73 Cb -0.05 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2osq s PRO 73 CO 0.04 -0.59 1.05 -0.51 0.04 0.00 0.00 177.00 177.03 2osq s LEU 74 N 2.39 2.97 -0.18 -3.56 1.43 0.85 -4.92 118.68 117.65 2osq s LEU 74 Ca 0.65 1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 2osq s LEU 74 Cb -0.33 -3.80 0.06 0.00 0.03 0.00 0.00 46.19 42.15 2osq s LEU 74 CO 0.27 -1.30 0.43 -0.70 0.23 0.00 0.00 176.35 175.29 2osq s GLU 75 N -5.28 0.41 0.03 1.70 2.12 -1.26 -2.90 118.70 113.52 2osq s GLU 75 Ca 0.57 0.83 0.05 0.00 0.36 0.00 0.00 54.97 56.78 2osq s GLU 75 Cb -0.11 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2osq s GLU 75 CO 0.50 -0.16 -0.14 0.08 -0.54 0.00 0.00 175.26 175.00 2osq s VAL 76 N 1.45 1.09 0.16 3.70 1.01 -1.26 -1.81 120.40 124.74 2osq s VAL 76 Ca -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 2osq s VAL 76 Cb -0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2osq s VAL 76 CO -0.13 0.04 0.16 -0.69 0.00 0.00 0.00 175.10 174.48 2osq s VAL 77 N -0.78 0.07 -0.75 2.92 1.01 -0.09 -4.77 120.40 118.01 2osq s VAL 77 Ca 0.02 -1.73 -0.26 0.00 0.00 0.00 0.00 61.98 60.02 2osq s VAL 77 Cb -0.07 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2osq s VAL 77 CO 0.01 -0.32 1.75 -0.31 0.00 0.00 0.00 175.10 176.23 2osq s TYR 78 N -4.04 1.89 0.05 5.22 2.02 -1.26 0.34 117.35 121.56 2osq s TYR 78 Ca 0.24 0.45 -0.34 0.00 -0.37 0.00 0.00 57.07 57.04 2osq s TYR 78 Cb 0.06 -4.23 -0.13 0.00 -0.40 0.00 0.00 41.96 37.26 2osq s TYR 78 CO 0.03 -2.08 1.69 0.45 -1.57 0.00 0.00 175.55 174.06 2osq n SER 79 N 12.15 3.13 -0.05 2.29 2.88 0.68 -4.55 113.62 130.15 2osq n SER 79 Ca 0.24 1.04 0.16 0.00 -1.33 0.00 0.00 58.87 58.98 2osq n SER 79 Cb 0.50 -1.39 0.90 0.00 -0.75 0.00 0.00 64.21 63.48 2osq n SER 79 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10