#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 -1.93 -4.90 -4.62 -0.00 -1.26 -4.79 117.00 99.50 2osq n LEU 8 Ca 0.00 -0.26 -0.21 0.00 -0.00 0.00 0.00 56.01 55.54 2osq n LEU 8 Cb 0.00 -1.15 -0.02 0.00 -0.00 0.00 0.00 43.42 42.25 2osq n LEU 8 CO 0.00 -3.42 0.04 -0.44 -0.00 0.00 0.00 177.39 173.57 2osq s SER 9 N -2.30 5.02 -0.03 1.45 0.01 -1.25 -4.99 113.70 111.60 2osq s SER 9 Ca 0.65 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 2osq s SER 9 Cb -0.21 -0.35 -0.27 0.00 0.21 0.00 0.00 66.02 65.40 2osq s SER 9 CO 0.65 -0.79 0.74 -0.55 0.41 0.00 0.00 173.24 173.70 2osq h ASN 10 N 0.90 0.36 -2.34 2.44 -1.07 -1.95 -3.44 115.58 110.49 2osq h ASN 10 Ca -0.40 -0.57 -0.48 0.00 0.07 0.00 0.00 56.30 54.92 2osq h ASN 10 Cb 1.27 -0.12 -0.36 0.00 -2.07 0.00 0.00 38.32 37.05 2osq h ASN 10 CO 0.55 1.49 -0.77 0.42 0.07 0.00 0.00 177.43 179.19 2osq s THR 11 N -2.60 -0.09 -0.30 6.14 -4.23 -1.26 -4.12 115.64 109.18 2osq s THR 11 Ca -0.11 -1.29 -0.19 0.00 -1.18 0.00 0.00 61.69 58.91 2osq s THR 11 Cb 0.07 -0.93 0.20 0.00 1.34 0.00 0.00 72.50 73.18 2osq s THR 11 CO 0.84 -0.79 1.32 -0.60 -0.54 0.00 0.00 174.62 174.85 2osq s ARG 12 N 1.36 0.00 -0.14 3.99 3.52 -1.26 -4.46 118.95 121.97 2osq s ARG 12 Ca 0.16 0.00 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2osq s ARG 12 Cb -0.19 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2osq s ARG 12 CO -0.06 -0.00 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.78 2osq s LEU 13 N 1.79 1.66 -0.26 -0.88 1.43 0.63 -1.35 118.68 121.70 2osq s LEU 13 Ca -0.01 -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 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2osq s LEU 13 CO -0.15 -0.04 0.45 0.12 0.23 0.00 0.00 176.35 176.96 2osq s PHE 14 N 1.37 3.27 0.32 0.29 5.36 0.13 -0.27 117.98 128.45 2osq s PHE 14 Ca 0.02 0.55 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2osq s PHE 14 Cb -0.13 -2.64 -0.02 0.00 -0.34 0.00 0.00 43.02 39.89 2osq s PHE 14 CO -0.08 -0.23 0.40 0.08 -1.46 0.00 0.00 175.22 173.93 2osq s VAL 15 N 2.10 4.09 0.87 3.12 1.01 0.13 -1.55 120.40 130.16 2osq s VAL 15 Ca 0.19 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2osq s VAL 15 Cb -0.16 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2osq s VAL 15 CO 0.09 -0.19 1.12 -0.13 0.00 0.00 0.00 175.10 175.99 2osq s ARG 16 N -4.09 1.48 -0.05 2.72 0.52 -0.88 -2.19 118.95 116.46 2osq s ARG 16 Ca 0.42 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2osq s ARG 16 Cb -0.08 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.47 2osq s ARG 16 CO 0.29 -2.00 1.49 -1.25 0.02 0.00 0.00 175.30 173.85 2osq s PRO 17 N -5.20 4.23 0.35 3.54 0.04 -1.26 -4.02 135.00 132.68 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 -0.15 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2osq s PRO 17 CO 0.54 -0.71 0.58 -0.06 0.04 0.00 0.00 177.00 177.38 2osq s PHE 18 N 3.25 3.51 0.00 0.56 0.40 -1.26 -4.97 117.98 119.47 2osq s PHE 18 Ca 0.66 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 2osq s PHE 18 Cb -0.31 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.24 2osq s PHE 18 CO 0.26 0.08 0.00 -0.35 0.70 0.00 0.00 175.22 175.91 2osq n PRO 19 N -1.68 0.82 0.30 0.24 -0.04 -1.26 -4.52 135.00 128.86 2osq n PRO 19 Ca -0.03 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.58 2osq n PRO 19 Cb 0.56 0.00 0.78 0.00 -0.04 0.00 0.00 33.50 34.80 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 -2.19 1.53 8.10 -2.04 0.42 115.31 121.14 2osq h LEU 20 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2osq h LEU 20 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 2osq h LEU 20 CO 0.00 0.00 0.06 0.47 -4.11 0.00 0.00 178.44 174.86 2osq n ASP 21 N -2.98 2.96 -4.56 0.17 8.00 -1.26 -4.81 116.55 114.08 2osq n ASP 21 Ca -0.01 -2.43 -0.38 0.00 0.71 0.00 0.00 54.79 52.69 2osq n ASP 21 Cb 0.43 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.60 3.75 0.05 2.53 0.11 0.15 -4.73 120.40 120.66 2osq s VAL 22 Ca 0.22 -0.43 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 2osq s VAL 22 Cb 0.17 -4.74 0.02 0.00 -1.53 0.00 0.00 36.38 30.30 2osq s VAL 22 CO 0.06 -1.64 0.31 0.00 -3.33 0.00 0.00 175.10 170.50 2osq s GLN 23 N 5.68 0.84 0.66 1.54 -2.07 -1.26 -4.91 119.66 120.13 2osq s GLN 23 Ca 0.51 -0.54 0.31 0.00 -1.82 0.00 0.00 55.36 53.81 2osq s GLN 23 Cb -0.04 0.37 1.67 0.00 -1.09 0.00 0.00 33.01 33.92 2osq s GLN 23 CO -0.02 -0.28 1.96 1.05 -1.32 0.00 0.00 175.29 176.68 2osq h GLU 24 N 3.09 0.00 0.01 9.60 4.11 -1.94 -1.76 114.58 127.69 2osq h GLU 24 Ca -0.32 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.13 2osq h GLU 24 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2osq h GLU 24 CO 0.47 0.00 -0.16 1.03 0.07 0.00 0.00 179.01 180.42 2osq h SER 25 N 0.00 -0.46 -0.29 3.06 0.87 -1.95 0.65 113.55 115.43 2osq h SER 25 Ca 0.02 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 2osq h SER 25 Cb 0.66 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2osq h SER 25 CO -0.00 -0.22 -0.42 1.05 -0.53 0.00 0.00 176.83 176.70 2osq h GLU 26 N -0.27 0.79 0.00 2.24 4.11 -1.61 -1.77 114.58 118.08 2osq h GLU 26 Ca 0.05 -0.47 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 2osq h GLU 26 Cb 0.33 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2osq h GLU 26 CO -0.15 1.10 -0.21 -0.07 0.07 0.00 0.00 179.01 179.76 2osq h LEU 27 N 0.55 0.00 0.14 3.06 4.07 -1.37 0.61 115.31 122.37 2osq h LEU 27 Ca 0.03 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.77 2osq h LEU 27 Cb 1.02 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.79 2osq h LEU 27 CO 0.10 0.21 -0.94 0.78 -1.08 0.00 0.00 178.44 177.50 2osq h ASN 28 N 0.00 0.59 1.23 -0.43 -0.26 0.44 -0.77 115.58 116.39 2osq h ASN 28 Ca -0.00 -0.90 -0.01 0.00 -0.56 0.00 0.00 56.30 54.83 2osq h ASN 28 Cb 0.39 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2osq h ASN 28 CO 0.03 1.45 -0.04 1.05 -1.06 0.00 0.00 177.43 178.85 2osq h GLU 29 N -0.17 0.00 0.00 0.81 4.11 -1.09 0.51 114.58 118.75 2osq h GLU 29 Ca -0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.10 2osq h GLU 29 Cb 1.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2osq h GLU 29 CO 0.18 0.04 -1.05 0.82 0.07 0.00 0.00 179.01 179.06 2osq h ILE 30 N 0.00 0.69 -0.00 -1.06 2.04 -0.93 -3.38 117.51 114.87 2osq h ILE 30 Ca -0.00 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2osq h ILE 30 Cb 0.67 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2osq h ILE 30 CO 0.01 0.23 -0.08 0.49 0.00 0.00 0.00 178.15 178.80 2osq n PHE 31 N -4.48 0.00 0.23 1.37 3.01 -0.30 -4.21 117.46 113.08 2osq n PHE 31 Ca -0.26 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.03 2osq n PHE 31 Cb 0.57 -0.13 -0.10 0.00 -0.01 0.00 0.00 39.48 39.82 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 4.95 -1.23 -5.56 1.37 0.00 -0.12 -3.16 103.07 99.33 2osq h GLY 32 Ca 0.00 0.61 -0.34 0.00 0.00 0.00 0.00 47.33 47.60 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 1.79 0.00 4.80 -0.04 -1.26 -3.03 135.00 131.72 2osq n PRO 33 Ca -0.11 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2osq n PRO 33 Cb 0.45 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 4.47 -0.26 0.00 0.54 3.72 -1.19 -5.09 117.46 119.65 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 0.13 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 -0.09 -0.15 3.55 1.37 0.00 -1.17 -4.73 105.19 103.98 2osq n GLY 35 Ca 0.00 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 2.60 -0.27 1.61 0.04 -1.26 -4.85 135.00 130.87 2osq s PRO 36 Ca 0.00 0.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 2osq s PRO 36 Cb 0.00 -4.60 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 2osq s PRO 36 CO 0.00 -2.94 2.07 -1.64 0.04 0.00 0.00 177.00 174.54 2osq s MET 37 N 7.03 3.17 0.46 4.56 -1.94 -1.26 -0.69 119.30 130.63 2osq s MET 37 Ca 0.68 1.80 0.15 0.00 -1.71 0.00 0.00 55.69 56.61 2osq s MET 37 Cb -0.11 -4.32 1.05 0.00 2.01 0.00 0.00 34.83 33.46 2osq s MET 37 CO 0.14 -2.05 2.01 -0.22 -0.01 0.00 0.00 175.02 174.89 2osq h LYS 38 N 14.40 0.00 -2.05 2.03 3.64 -0.66 -3.44 116.57 130.49 2osq h LYS 38 Ca -0.38 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.20 2osq h LYS 38 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 2osq h LYS 38 CO 0.99 0.16 0.59 -2.00 -2.27 0.00 0.00 179.45 176.93 2osq s GLU 39 N -4.65 0.83 -0.19 1.90 2.12 0.59 -4.96 118.70 114.33 2osq s GLU 39 Ca -0.04 -0.41 -0.14 0.00 0.36 0.00 0.00 54.97 54.74 2osq s GLU 39 Cb 0.16 0.32 0.06 0.00 0.26 0.00 0.00 34.13 34.92 2osq s GLU 39 CO 0.69 -0.37 0.49 0.14 -0.54 0.00 0.00 175.26 175.66 2osq s VAL 40 N -2.97 -0.01 -0.09 3.70 -7.23 -1.26 -0.38 120.40 112.16 2osq s VAL 40 Ca 0.10 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.35 2osq s VAL 40 Cb -0.00 -0.70 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2osq s VAL 40 CO -0.03 0.02 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.01 2osq s LYS 41 N 0.91 2.93 -0.24 4.82 -0.14 0.94 -4.98 119.74 123.97 2osq s LYS 41 Ca -0.05 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2osq s LYS 41 Cb -0.06 -2.30 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 2osq s LYS 41 CO -0.08 0.26 -0.02 0.42 -0.76 0.00 0.00 175.35 175.17 2osq s ILE 42 N 0.16 1.39 0.06 2.17 -1.09 -1.26 -0.30 121.20 122.33 2osq s ILE 42 Ca -0.13 -1.21 0.08 0.00 -2.23 0.00 0.00 60.65 57.16 2osq s ILE 42 Cb -0.16 -1.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2osq s ILE 42 CO 0.07 -0.19 -0.21 -0.76 -1.23 0.00 0.00 174.94 172.62 2osq s LEU 43 N 1.44 2.20 -0.82 2.97 1.43 -0.71 -5.00 118.68 120.20 2osq s LEU 43 Ca -0.03 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.25 2osq s LEU 43 Cb -0.19 -0.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 2osq s LEU 43 CO -0.08 0.14 2.15 0.20 0.23 0.00 0.00 176.35 178.99 2osq s ASN 44 N -1.35 4.62 0.00 2.29 -0.87 -1.26 -1.44 114.94 116.92 2osq s ASN 44 Ca 0.07 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 2osq s ASN 44 Cb -0.09 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 2osq s ASN 44 CO 0.02 -3.18 0.00 0.61 -2.57 0.00 0.00 177.10 171.98 2osq n GLY 45 N 6.72 1.12 3.60 0.66 0.00 -1.26 -5.10 105.19 110.93 2osq n GLY 45 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.56 -0.44 0.19 1.61 -0.12 -0.52 -4.06 117.98 114.06 2osq s PHE 46 Ca 0.00 0.92 0.10 0.00 -0.05 0.00 0.00 56.93 57.90 2osq s PHE 46 Cb 0.00 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 2osq s PHE 46 CO 0.00 -0.32 -0.21 0.00 -0.05 0.00 0.00 175.22 174.64 2osq s ALA 47 N -0.53 2.31 -0.01 1.99 0.00 -0.93 -1.73 121.76 122.86 2osq s ALA 47 Ca -0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.31 2osq s ALA 47 Cb -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2osq s ALA 47 CO -0.01 0.33 0.12 -0.06 0.00 0.00 0.00 175.76 176.14 2osq s PHE 48 N -1.91 0.00 -0.13 0.00 0.08 0.58 0.17 117.98 116.78 2osq s PHE 48 Ca 0.19 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 2osq s PHE 48 Cb -0.07 -0.03 0.06 0.00 -0.57 0.00 0.00 43.02 42.42 2osq s PHE 48 CO 0.09 -0.21 0.18 0.08 -0.10 0.00 0.00 175.22 175.25 2osq s VAL 49 N -0.95 -0.27 -0.39 -0.44 1.01 0.62 -0.04 120.40 119.94 2osq s VAL 49 Ca -0.10 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 2osq s VAL 49 Cb -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.91 2osq s VAL 49 CO 0.01 0.00 0.25 -0.70 0.00 0.00 0.00 175.10 174.66 2osq s GLU 50 N 2.30 2.87 0.42 2.72 2.12 0.49 -0.27 118.70 129.34 2osq s GLU 50 Ca 0.04 -1.09 -0.19 0.00 0.36 0.00 0.00 54.97 54.09 2osq s GLU 50 Cb -0.13 -3.84 -0.10 0.00 0.26 0.00 0.00 34.13 30.31 2osq s GLU 50 CO -0.08 -0.74 0.90 -0.06 -0.54 0.00 0.00 175.26 174.74 2osq s PHE 51 N 1.60 3.34 -1.94 5.30 0.08 -1.26 -0.03 117.98 125.07 2osq s PHE 51 Ca 0.03 1.49 0.30 0.00 0.12 0.00 0.00 56.93 58.88 2osq s PHE 51 Cb -0.19 -2.76 1.77 0.00 -0.57 0.00 0.00 43.02 41.26 2osq s PHE 51 CO 0.08 -0.09 2.12 -1.91 -0.10 0.00 0.00 175.22 175.31 2osq n GLU 52 N -0.70 0.89 -3.72 0.44 2.13 0.13 -4.41 120.64 115.40 2osq n GLU 52 Ca 0.06 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.72 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 -2.06 -0.00 0.26 5.31 0.41 -1.26 -4.97 118.70 116.38 2osq s GLU 53 Ca 0.43 0.36 -0.02 0.00 -0.41 0.00 0.00 54.97 55.33 2osq s GLU 53 Cb 0.21 -0.30 0.51 0.00 -1.78 0.00 0.00 34.13 32.77 2osq s GLU 53 CO 0.36 -0.24 1.73 0.00 -0.49 0.00 0.00 175.26 176.63 2osq h ALA 54 N 7.78 1.16 -0.08 5.21 0.00 -1.83 -1.30 119.26 130.19 2osq h ALA 54 Ca -0.30 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2osq h ALA 54 Cb 1.12 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2osq h ALA 54 CO 0.32 -0.20 -0.07 1.49 0.00 0.00 0.00 179.25 180.79 2osq h GLU 55 N 0.48 -0.08 -0.80 0.00 4.81 -1.96 0.18 114.58 117.21 2osq h GLU 55 Ca 0.45 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.76 2osq h GLU 55 Cb 0.69 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 2osq h GLU 55 CO -0.41 -0.05 0.46 0.77 -0.73 0.00 0.00 179.01 179.05 2osq h SER 56 N -0.08 0.68 0.24 1.04 0.02 -1.56 -0.35 113.55 113.54 2osq h SER 56 Ca 0.06 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2osq h SER 56 Cb 0.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2osq h SER 56 CO -0.13 0.41 -0.11 0.00 -1.14 0.00 0.00 176.83 175.85 2osq h ALA 57 N 1.43 -0.32 -0.77 3.77 0.00 -0.82 -0.70 119.26 121.85 2osq h ALA 57 Ca 0.38 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2osq h ALA 57 Cb 0.30 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2osq h ALA 57 CO -0.22 -0.50 0.52 0.00 0.00 0.00 0.00 179.25 179.05 2osq h ALA 58 N -0.04 2.24 0.13 0.00 0.00 -0.37 -0.74 119.26 120.48 2osq h ALA 58 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2osq h ALA 58 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2osq h ALA 58 CO 0.05 -0.46 -0.06 0.87 0.00 0.00 0.00 179.25 179.65 2osq h LYS 59 N 0.33 -0.17 -0.90 0.00 1.79 -0.96 -3.19 116.57 113.48 2osq h LYS 59 Ca 0.38 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 59.09 2osq h LYS 59 Cb 1.02 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.65 2osq h LYS 59 CO -0.11 0.26 0.61 0.00 -1.08 0.00 0.00 179.45 179.13 2osq h ALA 60 N -0.42 2.42 -0.65 3.86 0.00 -0.61 0.38 119.26 124.24 2osq h ALA 60 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2osq h ALA 60 Cb 0.51 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2osq h ALA 60 CO 0.03 -0.70 0.15 0.82 0.00 0.00 0.00 179.25 179.55 2osq h ILE 61 N 0.26 1.25 0.00 0.00 2.04 -1.20 0.28 117.51 120.15 2osq h ILE 61 Ca 0.46 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2osq h ILE 61 Cb 1.36 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2osq h ILE 61 CO -0.13 0.35 -0.64 -0.62 0.00 0.00 0.00 178.15 177.12 2osq n GLU 62 N -4.24 0.20 -0.03 2.37 1.02 0.47 -3.33 120.64 117.10 2osq n GLU 62 Ca 0.05 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.21 2osq n GLU 62 Cb 0.25 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.91 0.21 -0.16 3.49 -0.58 0.10 -4.40 120.64 117.39 2osq n GLU 63 Ca 0.04 0.35 0.14 0.00 -0.42 0.00 0.00 57.16 57.27 2osq n GLU 63 Cb 0.41 -1.16 0.48 0.00 -0.57 0.00 0.00 31.44 30.59 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 -0.46 0.84 -2.35 2.62 2.07 -0.67 -3.41 116.25 114.88 2osq h VAL 64 Ca 0.00 -0.16 -0.53 0.00 0.82 0.00 0.00 66.70 66.83 2osq h VAL 64 Cb 0.25 0.32 0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2osq h VAL 64 CO 0.00 0.09 1.24 1.57 0.02 0.00 0.00 177.57 180.48 2osq n HIS 65 N -4.49 2.52 -0.17 1.57 -0.00 -1.21 -1.17 115.22 112.27 2osq n HIS 65 Ca 0.14 -0.38 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 2osq n HIS 65 Cb 0.47 -2.81 0.00 0.00 -0.00 0.00 0.00 29.99 27.65 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 4.55 0.75 3.00 1.57 0.00 -0.87 -4.93 105.19 109.26 2osq n GLY 66 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.08 -1.31 -4.86 1.61 4.76 -0.32 -4.76 118.16 111.20 2osq n LYS 67 Ca 0.00 -1.58 -0.27 0.00 -2.87 0.00 0.00 58.31 53.59 2osq n LYS 67 Cb 0.00 -1.12 -0.15 0.00 -1.84 0.00 0.00 35.03 31.92 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 -4.67 2.63 -0.29 4.39 1.04 -1.26 -0.56 113.70 114.97 2osq s SER 68 Ca 0.59 -0.48 -0.20 0.00 0.48 0.00 0.00 55.95 56.34 2osq s SER 68 Cb -0.02 -0.25 0.16 0.00 0.10 0.00 0.00 66.02 66.00 2osq s SER 68 CO 0.42 0.22 1.11 0.12 0.98 0.00 0.00 173.24 176.09 2osq s PHE 69 N -0.69 -0.38 -1.49 5.02 2.19 -0.28 -4.87 117.98 117.49 2osq s PHE 69 Ca 0.09 0.82 -0.07 0.00 0.33 0.00 0.00 56.93 58.10 2osq s PHE 69 Cb -0.09 0.32 0.02 0.00 -1.31 0.00 0.00 43.02 41.96 2osq s PHE 69 CO 0.01 -0.19 0.77 0.00 1.83 0.00 0.00 175.22 177.64 2osq n ALA 70 N 2.85 -1.09 -2.75 11.12 0.00 -1.26 -1.31 120.51 128.07 2osq n ALA 70 Ca -0.15 0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 2osq n ALA 70 Cb 0.57 -4.26 0.01 0.00 0.00 0.00 0.00 19.45 15.77 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 -2.65 -5.90 -3.73 0.00 3.02 -1.26 -4.97 115.26 99.76 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 -4.83 -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 -5.42 0.65 0.03 3.52 -0.21 -0.43 -5.14 119.66 112.66 2osq s GLN 72 Ca 0.17 0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.29 2osq s GLN 72 Cb -0.08 0.29 -0.06 0.00 1.00 0.00 0.00 33.01 34.17 2osq s GLN 72 CO 0.21 -0.16 1.42 -1.25 -2.12 0.00 0.00 175.29 173.39 2osq s PRO 73 N -0.91 4.28 0.52 2.91 0.04 -1.26 -1.13 135.00 139.45 2osq s PRO 73 Ca -0.10 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 2osq s PRO 73 Cb -0.04 -3.50 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 2osq s PRO 73 CO 0.04 -0.56 0.98 -0.51 0.04 0.00 0.00 177.00 176.99 2osq s LEU 74 N 2.13 3.58 -0.09 -3.56 1.43 0.27 -4.93 118.68 117.51 2osq s LEU 74 Ca 0.65 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 55.22 2osq s LEU 74 Cb -0.33 -4.46 0.05 0.00 0.03 0.00 0.00 46.19 41.47 2osq s LEU 74 CO 0.28 -0.62 0.20 -1.61 0.23 0.00 0.00 176.35 174.84 2osq s GLU 75 N -4.23 0.14 -0.03 1.70 2.02 -1.26 -2.06 118.70 114.98 2osq s GLU 75 Ca 0.58 0.51 0.02 0.00 0.02 0.00 0.00 54.97 56.10 2osq s GLU 75 Cb -0.10 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 33.99 2osq s GLU 75 CO 0.35 -0.20 -0.07 0.08 0.02 0.00 0.00 175.26 175.44 2osq s VAL 76 N 1.53 0.63 0.25 2.63 1.01 -1.26 -2.08 120.40 123.11 2osq s VAL 76 Ca -0.06 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2osq s VAL 76 Cb -0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2osq s VAL 76 CO -0.07 0.21 0.14 0.68 0.00 0.00 0.00 175.10 176.06 2osq s VAL 77 N 0.38 0.26 -0.65 2.92 -7.23 -0.59 -4.67 120.40 110.82 2osq s VAL 77 Ca -0.05 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.85 2osq s VAL 77 Cb -0.09 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.29 2osq s VAL 77 CO 0.00 0.00 1.67 -0.31 -0.31 0.00 0.00 175.10 176.15 2osq s TYR 78 N -3.85 1.87 0.12 2.82 2.02 -1.26 0.20 117.35 119.27 2osq s TYR 78 Ca 0.38 0.51 -0.32 0.00 -0.37 0.00 0.00 57.07 57.27 2osq s TYR 78 Cb 0.06 -4.27 -0.11 0.00 -0.40 0.00 0.00 41.96 37.24 2osq s TYR 78 CO 0.15 -2.23 1.80 0.43 -1.57 0.00 0.00 175.55 174.12 2osq n SER 79 N 11.62 3.87 0.00 2.29 7.64 -0.46 -4.61 113.62 133.97 2osq n SER 79 Ca 0.15 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2osq n SER 79 Cb 0.51 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2osq n SER 79 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32