#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ais s VAL 2 N 0.00 3.80 -0.55 2.03 0.11 -1.26 -4.96 120.40 119.57 1ais s VAL 2 Ca 0.00 1.12 -0.27 0.00 -2.93 0.00 0.00 61.98 59.90 1ais s VAL 2 Cb 0.00 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1ais s VAL 2 CO 0.00 -0.03 1.62 -0.62 -3.33 0.00 0.00 175.10 172.74 1ais s ASP 3 N 2.11 5.80 0.00 3.54 -1.08 -1.26 -4.85 116.67 120.94 1ais s ASP 3 Ca 0.64 0.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 1ais s ASP 3 Cb -0.30 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.06 1ais s ASP 3 CO 0.25 -1.94 1.36 0.23 0.52 0.00 0.00 175.17 175.58 1ais n MET 4 N 8.85 2.66 0.15 4.34 2.81 -1.26 -4.65 117.12 130.01 1ais n MET 4 Ca 0.16 -2.27 0.09 0.00 -1.81 0.00 0.00 57.70 53.88 1ais n MET 4 Cb 0.50 -1.41 0.49 0.00 -0.71 0.00 0.00 33.22 32.09 1ais n MET 4 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ais n SER 5 N 1.05 0.47 -0.24 7.83 3.41 -1.26 -1.59 113.62 123.29 1ais n SER 5 Ca 0.17 0.70 0.03 0.00 -0.26 0.00 0.00 58.87 59.51 1ais n SER 5 Cb 0.51 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1ais n SER 5 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ais n LYS 6 N -2.14 -0.04 -2.50 4.33 5.02 -1.26 -5.02 118.16 116.55 1ais n LYS 6 Ca -0.01 -0.89 -0.41 0.00 -2.02 0.00 0.00 58.31 54.97 1ais n LYS 6 Cb 0.08 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 1ais n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ais s VAL 7 N -0.51 3.84 -0.06 -0.18 0.11 -0.62 -3.86 120.40 119.12 1ais s VAL 7 Ca 0.07 1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 60.69 1ais s VAL 7 Cb 0.05 -4.01 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1ais s VAL 7 CO 0.07 0.27 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.35 1ais s LYS 8 N -0.32 0.67 0.06 1.54 2.36 -0.07 -4.98 119.74 119.01 1ais s LYS 8 Ca 0.50 0.05 0.09 0.00 -2.55 0.00 0.00 55.97 54.06 1ais s LYS 8 Cb -0.30 -0.94 -0.03 0.00 -1.05 0.00 0.00 37.83 35.52 1ais s LYS 8 CO 0.35 -0.24 -0.24 -0.51 1.55 0.00 0.00 175.35 176.25 1ais s LEU 9 N 1.67 2.32 -0.05 5.43 1.43 -1.26 -0.39 118.68 127.82 1ais s LEU 9 Ca 0.01 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1ais s LEU 9 Cb -0.13 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1ais s LEU 9 CO -0.04 0.24 -0.07 -0.60 0.23 0.00 0.00 176.35 176.12 1ais s ARG 10 N -1.45 1.10 0.07 1.70 3.52 0.82 -4.96 118.95 119.75 1ais s ARG 10 Ca 0.13 -0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 1ais s ARG 10 Cb -0.10 -1.03 -0.07 0.00 -1.56 0.00 0.00 34.95 32.19 1ais s ARG 10 CO 0.04 -0.06 1.38 0.42 -0.81 0.00 0.00 175.30 176.27 1ais s ILE 11 N 0.88 3.50 -0.07 4.11 1.01 -1.26 -0.65 121.20 128.72 1ais s ILE 11 Ca -0.11 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.63 1ais s ILE 11 Cb -0.15 -3.66 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1ais s ILE 11 CO 0.01 0.05 0.02 -0.62 0.00 0.00 0.00 174.94 174.41 1ais n GLU 12 N 4.40 2.85 -3.66 2.79 -0.58 0.24 -4.90 120.64 121.78 1ais n GLU 12 Ca 0.12 -0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.71 1ais n GLU 12 Cb 0.43 -1.18 -0.08 0.00 -0.57 0.00 0.00 31.44 30.04 1ais n GLU 12 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1ais s ASN 13 N -3.86 -0.65 -0.06 1.62 2.47 -1.06 -4.76 114.94 108.63 1ais s ASN 13 Ca -0.03 1.24 0.02 0.00 0.42 0.00 0.00 52.86 54.51 1ais s ASN 13 Cb 0.02 1.25 0.01 0.00 -1.45 0.00 0.00 41.25 41.09 1ais s ASN 13 CO 0.29 -0.24 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.69 1ais s ILE 14 N 0.26 1.05 -0.17 -5.21 1.01 0.73 -0.90 121.20 117.98 1ais s ILE 14 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1ais s ILE 14 Cb -0.04 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1ais s ILE 14 CO 0.01 0.34 -0.09 -0.69 0.00 0.00 0.00 174.94 174.52 1ais s VAL 15 N 0.74 3.29 0.02 2.92 1.01 0.20 -3.52 120.40 125.06 1ais s VAL 15 Ca -0.13 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1ais s VAL 15 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1ais s VAL 15 CO 0.03 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 1ais s ALA 16 N 0.75 1.05 -0.02 5.51 0.00 0.02 -0.04 121.76 129.03 1ais s ALA 16 Ca -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 1ais s ALA 16 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1ais s ALA 16 CO 0.02 0.21 0.17 -1.54 0.00 0.00 0.00 175.76 174.62 1ais s SER 17 N -0.84 6.33 0.03 0.00 1.04 -0.03 -0.20 113.70 120.03 1ais s SER 17 Ca 0.02 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.82 1ais s SER 17 Cb -0.07 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 1ais s SER 17 CO 0.01 0.28 -0.06 -0.69 0.98 0.00 0.00 173.24 173.76 1ais s VAL 18 N -1.28 0.44 -0.17 5.02 1.01 0.45 -1.20 120.40 124.68 1ais s VAL 18 Ca 0.25 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ais s VAL 18 Cb -0.12 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1ais s VAL 18 CO 0.16 -0.32 -0.12 -0.62 0.00 0.00 0.00 175.10 174.20 1ais s ASP 19 N -1.30 2.96 0.11 3.32 -1.08 -0.25 -0.96 116.67 119.47 1ais s ASP 19 Ca -0.09 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 51.55 1ais s ASP 19 Cb -0.09 -1.19 0.56 0.00 -1.46 0.00 0.00 42.92 40.75 1ais s ASP 19 CO 0.00 -0.10 1.50 0.18 0.52 0.00 0.00 175.17 177.27 1ais n LEU 20 N 4.74 0.63 -3.37 -1.34 4.32 0.34 -1.44 117.00 120.87 1ais n LEU 20 Ca -0.16 0.30 -0.17 0.00 -0.02 0.00 0.00 56.01 55.96 1ais n LEU 20 Cb 0.49 -0.25 0.07 0.00 -1.62 0.00 0.00 43.42 42.10 1ais n LEU 20 CO 0.21 -0.05 0.04 0.49 -1.22 0.00 0.00 177.39 176.86 1ais n PHE 21 N -2.00 -2.30 -3.57 -1.77 3.72 -1.26 -4.58 117.46 105.71 1ais n PHE 21 Ca 0.04 0.86 -0.13 0.00 -0.05 0.00 0.00 57.45 58.17 1ais n PHE 21 Cb 0.41 -4.42 -0.06 0.00 -0.94 0.00 0.00 39.48 34.48 1ais n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ais s ALA 22 N -3.41 -1.88 0.21 4.37 0.00 -1.26 -2.48 121.76 117.31 1ais s ALA 22 Ca 0.27 1.56 -0.28 0.00 0.00 0.00 0.00 51.96 53.52 1ais s ALA 22 Cb -0.04 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1ais s ALA 22 CO 0.75 -0.32 0.87 -1.14 0.00 0.00 0.00 175.76 175.92 1ais s GLN 23 N -0.92 4.74 -0.04 0.00 0.74 -1.26 -2.78 119.66 120.14 1ais s GLN 23 Ca -0.04 1.35 0.06 0.00 0.05 0.00 0.00 55.36 56.78 1ais s GLN 23 Cb -0.01 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.81 1ais s GLN 23 CO 0.03 0.54 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.59 1ais s LEU 24 N -1.17 2.31 -0.76 3.68 1.43 0.36 -4.88 118.68 119.63 1ais s LEU 24 Ca 0.39 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 1ais s LEU 24 Cb -0.25 -1.43 0.20 0.00 0.03 0.00 0.00 46.19 44.75 1ais s LEU 24 CO 0.30 0.31 0.70 -0.62 0.23 0.00 0.00 176.35 177.27 1ais s ASP 25 N -0.55 6.58 0.45 2.29 -1.08 -1.26 -4.44 116.67 118.66 1ais s ASP 25 Ca 0.08 -2.52 0.23 0.00 -0.52 0.00 0.00 52.55 49.82 1ais s ASP 25 Cb -0.11 -2.19 1.23 0.00 -1.46 0.00 0.00 42.92 40.39 1ais s ASP 25 CO 0.00 -0.62 1.81 -0.07 0.52 0.00 0.00 175.17 176.82 1ais h LEU 26 N 7.96 0.30 -1.51 -1.34 4.07 -1.94 -0.22 115.31 122.63 1ais h LEU 26 Ca 0.02 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 1ais h LEU 26 Cb 1.05 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1ais h LEU 26 CO 0.81 0.08 0.03 -0.33 -1.08 0.00 0.00 178.44 177.94 1ais h GLU 27 N 0.27 0.35 0.00 1.13 4.39 -2.02 -2.36 114.58 116.34 1ais h GLU 27 Ca 0.54 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.16 1ais h GLU 27 Cb 1.59 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1ais h GLU 27 CO -0.18 0.35 -0.65 0.87 -1.16 0.00 0.00 179.01 178.25 1ais h LYS 28 N 0.35 0.00 0.00 2.33 1.57 -1.48 -3.32 116.57 116.02 1ais h LYS 28 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ais h LYS 28 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ais h LYS 28 CO 0.00 0.06 -0.00 0.28 -0.57 0.00 0.00 179.45 179.22 1ais h VAL 29 N 0.00 0.00 -0.13 0.50 2.07 -0.94 -3.32 116.25 114.43 1ais h VAL 29 Ca -0.01 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1ais h VAL 29 Cb 1.08 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1ais h VAL 29 CO 0.01 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.53 1ais h LEU 30 N 0.00 0.16 -0.97 2.57 3.38 -1.59 -2.03 115.31 116.84 1ais h LEU 30 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1ais h LEU 30 Cb 0.96 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1ais h LEU 30 CO 0.00 0.20 -0.40 0.44 0.09 0.00 0.00 178.44 178.77 1ais h ASP 31 N 0.18 0.00 0.09 -0.43 5.19 -1.80 -3.06 116.42 116.60 1ais h ASP 31 Ca 0.05 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.30 1ais h ASP 31 Cb 0.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1ais h ASP 31 CO 0.00 0.40 -0.54 -0.07 -3.12 0.00 0.00 179.24 175.91 1ais h LEU 32 N 0.00 0.54 -8.17 1.55 4.07 -1.57 -3.41 115.31 108.32 1ais h LEU 32 Ca -0.00 -0.28 -0.71 0.00 0.08 0.00 0.00 57.88 56.96 1ais h LEU 32 Cb 0.89 -0.15 -0.27 0.00 1.08 0.00 0.00 40.66 42.20 1ais h LEU 32 CO 0.05 0.97 -0.48 0.00 -1.08 0.00 0.00 178.44 177.91 1ais s PRO 34 N 1.45 4.26 0.00 0.00 0.02 -1.26 -2.50 135.00 136.97 1ais s PRO 34 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1ais s PRO 34 Cb -0.22 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1ais s PRO 34 CO 0.03 -0.39 0.00 0.09 -0.33 0.00 0.00 177.00 176.40 1ais n ASN 35 N 1.64 0.00 -4.66 2.53 4.13 -1.26 -4.76 115.26 112.89 1ais n ASN 35 Ca 0.04 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.89 1ais n ASN 35 Cb 0.40 -0.54 0.01 0.00 -1.54 0.00 0.00 39.78 38.11 1ais n ASN 35 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ais n SER 36 N 0.00 1.86 -4.54 6.41 3.41 -1.04 -4.93 113.62 114.78 1ais n SER 36 Ca 0.00 1.05 -0.33 0.00 -0.26 0.00 0.00 58.87 59.33 1ais n SER 36 Cb 0.00 -1.43 -0.12 0.00 -0.26 0.00 0.00 64.21 62.40 1ais n SER 36 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1ais s LYS 37 N -2.17 2.72 -0.22 4.33 0.00 -0.51 -4.95 119.74 118.95 1ais s LYS 37 Ca 0.63 -0.60 -0.04 0.00 0.00 0.00 0.00 55.97 55.96 1ais s LYS 37 Cb -0.53 -2.53 0.12 0.00 0.00 0.00 0.00 37.83 34.89 1ais s LYS 37 CO 0.56 0.62 0.38 -0.47 0.00 0.00 0.00 175.35 176.45 1ais s TYR 38 N -0.71 -0.78 -0.42 1.78 5.04 -1.26 -0.23 117.35 120.77 1ais s TYR 38 Ca 0.11 1.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1ais s TYR 38 Cb -0.11 0.09 0.14 0.00 0.35 0.00 0.00 41.96 42.43 1ais s TYR 38 CO 0.01 -0.63 0.25 -0.80 -1.34 0.00 0.00 175.55 173.04 1ais s ASN 39 N 2.55 3.31 0.53 4.32 0.01 -1.26 -4.99 114.94 119.41 1ais s ASN 39 Ca 0.08 -2.56 0.29 0.00 -0.71 0.00 0.00 52.86 49.96 1ais s ASN 39 Cb -0.14 -0.81 1.57 0.00 0.41 0.00 0.00 41.25 42.28 1ais s ASN 39 CO -0.14 -0.27 1.87 1.55 -1.51 0.00 0.00 177.10 178.59 1ais h PRO 40 N 6.70 0.00 0.08 -0.60 0.13 -1.91 -1.59 132.00 134.80 1ais h PRO 40 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ais h PRO 40 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ais h PRO 40 CO 0.41 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.07 1ais h GLU 41 N 0.00 -0.10 0.00 0.86 4.39 -1.98 -3.36 114.58 114.39 1ais h GLU 41 Ca 0.00 0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1ais h GLU 41 Cb 0.34 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1ais h GLU 41 CO 0.00 0.38 -1.05 1.05 -1.16 0.00 0.00 179.01 178.23 1ais h GLU 42 N -0.64 0.00 -2.06 2.33 4.11 -1.86 -3.46 114.58 113.00 1ais h GLU 42 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.44 1ais h GLU 42 Cb 0.53 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.56 1ais h GLU 42 CO 0.02 0.63 -0.04 0.12 0.07 0.00 0.00 179.01 179.82 1ais s PHE 43 N -2.81 -1.08 -0.78 2.06 5.36 -0.65 -5.07 117.98 115.02 1ais s PHE 43 Ca 0.00 2.10 0.09 0.00 -0.96 0.00 0.00 56.93 58.16 1ais s PHE 43 Cb 0.09 0.64 0.42 0.00 -0.34 0.00 0.00 43.02 43.83 1ais s PHE 43 CO 0.80 -0.54 1.26 -0.35 -1.46 0.00 0.00 175.22 174.93 1ais n PRO 44 N 4.54 0.05 -4.41 10.12 -0.04 -1.26 -3.69 135.00 140.31 1ais n PRO 44 Ca -0.19 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.53 1ais n PRO 44 Cb 0.57 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1ais n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ais s GLY 45 N -3.17 1.98 0.21 0.55 0.00 -1.26 -4.65 107.32 100.98 1ais s GLY 45 Ca 0.01 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.51 1ais s GLY 45 CO 0.11 -1.92 1.05 -0.42 0.00 0.00 0.00 173.10 171.92 1ais s ILE 46 N -2.50 3.89 -0.43 0.90 1.01 -0.01 -4.64 121.20 119.42 1ais s ILE 46 Ca 0.33 1.75 -0.14 0.00 0.00 0.00 0.00 60.65 62.59 1ais s ILE 46 Cb -0.02 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.38 1ais s ILE 46 CO 0.18 0.36 0.32 -0.63 0.00 0.00 0.00 174.94 175.16 1ais s ILE 47 N -0.67 5.04 -0.06 2.92 -1.09 0.68 -1.15 121.20 126.87 1ais s ILE 47 Ca 0.46 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 1ais s ILE 47 Cb -0.29 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1ais s ILE 47 CO 0.35 -0.43 -0.10 0.00 -1.23 0.00 0.00 174.94 173.53 1ais s HIS 49 N -0.79 2.81 0.27 0.00 3.76 -1.26 0.13 115.29 120.21 1ais s HIS 49 Ca 0.12 -1.88 -0.15 0.00 -0.15 0.00 0.00 55.06 53.01 1ais s HIS 49 Cb -0.11 -1.81 -0.08 0.00 1.11 0.00 0.00 32.58 31.69 1ais s HIS 49 CO 0.01 -0.81 0.68 -0.51 -0.85 0.00 0.00 174.74 173.27 1ais s LEU 50 N 1.26 4.17 -0.21 0.89 1.02 0.51 -4.94 118.68 121.37 1ais s LEU 50 Ca -0.03 1.23 -0.18 0.00 0.02 0.00 0.00 54.13 55.17 1ais s LEU 50 Cb -0.17 -3.83 -0.15 0.00 0.02 0.00 0.00 46.19 42.06 1ais s LEU 50 CO -0.08 -0.10 0.03 0.47 0.02 0.00 0.00 176.35 176.69 1ais n ASP 51 N 0.01 1.88 0.00 2.29 8.00 -1.26 -3.05 116.55 124.42 1ais n ASP 51 Ca 0.01 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1ais n ASP 51 Cb 0.52 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1ais n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ais n ASP 52 N -4.42 0.00 -4.62 -2.24 -0.08 -1.26 -3.02 116.55 100.91 1ais n ASP 52 Ca -0.33 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.52 1ais n ASP 52 Cb 0.67 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 1ais n ASP 52 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1ais s PRO 53 N 0.00 3.66 -0.81 -0.67 0.02 -1.26 -4.78 135.00 131.16 1ais s PRO 53 Ca 0.00 1.65 -0.25 0.00 0.02 0.00 0.00 61.00 62.42 1ais s PRO 53 Cb 0.00 -4.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.39 1ais s PRO 53 CO 0.00 -1.46 1.85 0.21 -0.33 0.00 0.00 177.00 177.27 1ais s LYS 54 N 5.00 2.68 0.06 5.54 2.20 -1.17 -4.49 119.74 129.57 1ais s LYS 54 Ca 0.75 -0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 56.26 1ais s LYS 54 Cb -0.25 -4.82 -0.02 0.00 -1.51 0.00 0.00 37.83 31.23 1ais s LYS 54 CO 0.31 -3.02 0.10 0.14 -0.36 0.00 0.00 175.35 172.52 1ais s VAL 55 N 9.19 0.16 -0.05 4.02 -7.23 -1.17 -4.52 120.40 120.80 1ais s VAL 55 Ca 0.66 -1.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1ais s VAL 55 Cb -0.08 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1ais s VAL 55 CO 0.06 -0.74 0.15 0.00 -0.31 0.00 0.00 175.10 174.27 1ais s ALA 56 N -3.53 3.87 -0.08 1.32 0.00 0.52 -0.36 121.76 123.50 1ais s ALA 56 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ais s ALA 56 Cb 0.04 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1ais s ALA 56 CO -0.09 0.69 -0.13 -0.51 0.00 0.00 0.00 175.76 175.73 1ais s LEU 57 N -1.57 1.63 -0.27 0.00 1.43 0.12 -1.47 118.68 118.55 1ais s LEU 57 Ca 0.22 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1ais s LEU 57 Cb -0.12 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1ais s LEU 57 CO 0.13 0.02 0.09 -0.76 0.23 0.00 0.00 176.35 176.06 1ais s LEU 58 N 0.78 3.67 -0.20 1.79 1.43 -0.28 -0.16 118.68 125.71 1ais s LEU 58 Ca -0.12 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1ais s LEU 58 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1ais s LEU 58 CO 0.02 -0.11 -0.02 -0.63 0.23 0.00 0.00 176.35 175.84 1ais s ILE 59 N 1.58 3.75 0.11 -0.59 1.01 -0.30 -1.42 121.20 125.34 1ais s ILE 59 Ca 0.05 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1ais s ILE 59 Cb -0.16 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1ais s ILE 59 CO 0.04 0.43 -0.05 -0.36 0.00 0.00 0.00 174.94 175.00 1ais s PHE 60 N 1.09 2.85 0.10 3.97 0.08 -0.54 -0.83 117.98 124.69 1ais s PHE 60 Ca 0.02 -0.11 0.28 0.00 0.12 0.00 0.00 56.93 57.24 1ais s PHE 60 Cb -0.14 -1.46 1.51 0.00 -0.57 0.00 0.00 43.02 42.36 1ais s PHE 60 CO 0.01 0.46 1.84 0.66 -0.10 0.00 0.00 175.22 178.09 1ais h SER 61 N 3.41 0.00 -0.02 1.36 4.64 -1.82 -0.23 113.55 120.89 1ais h SER 61 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ais h SER 61 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ais h SER 61 CO 0.56 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 1ais n SER 62 N -2.50 0.52 0.00 4.97 3.41 -1.26 -0.49 113.62 118.27 1ais n SER 62 Ca -0.02 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1ais n SER 62 Cb 0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1ais n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ais n GLY 63 N 1.01 0.75 3.90 5.00 0.00 -0.10 -4.54 105.19 111.21 1ais n GLY 63 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1ais n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ais s LYS 64 N -0.12 3.62 0.08 1.61 1.02 -1.25 -0.51 119.74 124.20 1ais s LYS 64 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 1ais s LYS 64 Cb 0.00 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1ais s LYS 64 CO 0.00 0.49 0.01 -0.51 -0.92 0.00 0.00 175.35 174.41 1ais s LEU 65 N -2.56 2.21 -0.06 3.17 1.43 -0.14 -1.47 118.68 121.26 1ais s LEU 65 Ca 0.40 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1ais s LEU 65 Cb -0.12 0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.36 1ais s LEU 65 CO 0.24 -0.65 -0.16 -0.69 0.23 0.00 0.00 176.35 175.32 1ais s VAL 66 N -3.96 1.36 -0.17 -1.59 1.01 -0.50 -0.41 120.40 116.14 1ais s VAL 66 Ca 0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ais s VAL 66 Cb 0.08 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1ais s VAL 66 CO -0.06 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 174.62 1ais s VAL 67 N 0.34 2.80 0.21 2.92 1.01 0.72 -1.12 120.40 127.27 1ais s VAL 67 Ca -0.10 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1ais s VAL 67 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1ais s VAL 67 CO 0.04 0.50 -0.07 0.42 0.00 0.00 0.00 175.10 175.98 1ais s THR 68 N 0.93 1.32 0.00 3.92 -4.23 -0.54 -0.80 115.64 116.24 1ais s THR 68 Ca -0.03 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1ais s THR 68 Cb -0.15 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1ais s THR 68 CO -0.01 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1ais n GLY 69 N -0.37 0.94 3.74 3.99 0.00 -1.25 -0.35 105.19 111.90 1ais n GLY 69 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ais n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ais s ALA 70 N -2.35 3.64 -1.10 4.61 0.00 -1.23 -4.76 121.76 120.56 1ais s ALA 70 Ca 0.00 1.32 0.21 0.00 0.00 0.00 0.00 51.96 53.49 1ais s ALA 70 Cb 0.00 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 1ais s ALA 70 CO 0.00 -0.74 0.96 1.63 0.00 0.00 0.00 175.76 177.61 1ais n LYS 71 N 2.53 0.12 -3.91 0.00 4.76 -1.26 -0.19 118.16 120.20 1ais n LYS 71 Ca 0.07 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 1ais n LYS 71 Cb 0.40 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 1ais n LYS 71 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ais s SER 72 N -2.95 -0.16 0.25 4.39 1.04 -1.26 -4.89 113.70 110.12 1ais s SER 72 Ca 0.09 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1ais s SER 72 Cb 0.16 0.61 0.31 0.00 0.10 0.00 0.00 66.02 67.20 1ais s SER 72 CO 0.83 -1.15 1.64 0.58 0.98 0.00 0.00 173.24 176.11 1ais h VAL 73 N 2.20 1.30 -0.33 5.02 2.07 -2.00 -2.56 116.25 121.96 1ais h VAL 73 Ca -0.25 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1ais h VAL 73 Cb 1.25 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1ais h VAL 73 CO 0.34 0.48 0.08 -0.61 0.02 0.00 0.00 177.57 177.87 1ais h GLN 74 N 0.37 0.48 -0.45 1.57 -0.00 -1.99 0.25 115.11 115.34 1ais h GLN 74 Ca 0.03 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1ais h GLN 74 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.23 1ais h GLN 74 CO 0.07 0.44 0.29 -0.44 0.00 0.00 0.00 178.83 179.19 1ais h ASP 75 N 0.47 0.49 -0.51 -0.69 3.32 -1.85 -1.88 116.42 115.77 1ais h ASP 75 Ca 0.11 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1ais h ASP 75 Cb 0.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1ais h ASP 75 CO -0.00 0.35 -0.00 0.40 -1.72 0.00 0.00 179.24 178.27 1ais h ILE 76 N 0.59 1.26 -0.31 0.35 2.04 -1.12 -2.39 117.51 117.93 1ais h ILE 76 Ca 0.17 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1ais h ILE 76 Cb -0.04 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1ais h ILE 76 CO -0.05 0.38 0.19 -0.33 0.00 0.00 0.00 178.15 178.34 1ais h GLU 77 N 0.76 0.42 -0.24 2.37 5.08 -0.84 -1.84 114.58 120.30 1ais h GLU 77 Ca 0.14 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1ais h GLU 77 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ais h GLU 77 CO 0.03 0.32 -0.20 0.00 -1.00 0.00 0.00 179.01 178.16 1ais h ARG 78 N 0.40 0.42 -0.37 2.33 3.08 -1.31 -1.41 114.38 117.53 1ais h ARG 78 Ca 0.11 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1ais h ARG 78 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ais h ARG 78 CO -0.02 0.61 -0.34 0.00 -1.07 0.00 0.00 179.97 179.15 1ais h ALA 79 N 1.41 0.70 -0.32 0.04 0.00 -1.19 -1.80 119.26 118.10 1ais h ALA 79 Ca 0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1ais h ALA 79 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ais h ALA 79 CO 0.04 0.67 -0.22 0.28 0.00 0.00 0.00 179.25 180.02 1ais h VAL 80 N 0.70 1.29 -0.46 0.00 2.07 -1.16 -2.48 116.25 116.22 1ais h VAL 80 Ca 0.07 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 1ais h VAL 80 Cb 0.90 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1ais h VAL 80 CO 0.08 0.44 -0.01 0.00 0.02 0.00 0.00 177.57 178.10 1ais h ALA 81 N 0.74 1.12 -0.20 1.67 0.00 -1.14 0.12 119.26 121.58 1ais h ALA 81 Ca 0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1ais h ALA 81 Cb 0.77 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ais h ALA 81 CO 0.06 0.56 -0.31 0.87 0.00 0.00 0.00 179.25 180.43 1ais h LYS 82 N 0.72 0.57 -0.45 0.00 1.57 -1.31 -1.78 116.57 115.89 1ais h LYS 82 Ca 0.14 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1ais h LYS 82 Cb 0.45 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ais h LYS 82 CO 0.02 0.95 0.05 1.25 -0.57 0.00 0.00 179.45 181.15 1ais h LEU 83 N 0.24 0.74 -0.81 2.94 5.85 -1.29 -1.76 115.31 121.22 1ais h LEU 83 Ca 0.02 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ais h LEU 83 Cb 0.90 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1ais h LEU 83 CO 0.07 0.83 0.54 0.00 -0.34 0.00 0.00 178.44 179.54 1ais h ALA 84 N 0.94 1.04 -0.32 1.25 0.00 -0.74 0.39 119.26 121.81 1ais h ALA 84 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ais h ALA 84 Cb 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ais h ALA 84 CO 0.01 0.43 -0.13 0.37 0.00 0.00 0.00 179.25 179.93 1ais h GLN 85 N 1.09 0.66 -0.71 0.00 5.75 -1.13 -1.56 115.11 119.22 1ais h GLN 85 Ca 0.30 -0.28 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1ais h GLN 85 Cb -0.11 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 1ais h GLN 85 CO -0.07 0.86 0.41 0.87 -2.65 0.00 0.00 178.83 178.25 1ais h LYS 86 N 0.43 0.74 -0.44 1.69 1.57 -0.96 -0.72 116.57 118.88 1ais h LYS 86 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ais h LYS 86 Cb 0.65 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ais h LYS 86 CO 0.04 0.49 0.28 -0.07 -0.57 0.00 0.00 179.45 179.62 1ais h LEU 87 N 0.76 0.51 -0.93 2.94 4.07 -0.75 -1.76 115.31 120.16 1ais h LEU 87 Ca 0.31 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.31 1ais h LEU 87 Cb 0.16 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 41.71 1ais h LEU 87 CO -0.17 0.39 0.58 0.11 -1.08 0.00 0.00 178.44 178.28 1ais h LYS 88 N 0.58 1.01 0.00 1.13 1.57 -0.58 0.85 116.57 121.14 1ais h LYS 88 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ais h LYS 88 Cb -0.04 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1ais h LYS 88 CO -0.03 0.67 0.00 0.66 -0.57 0.00 0.00 179.45 180.17 1ais h SER 89 N 1.04 0.00 -0.33 0.86 4.64 -0.23 -1.34 113.55 118.18 1ais h SER 89 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1ais h SER 89 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ais h SER 89 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.77 1ais n ILE 90 N -2.50 1.00 0.00 0.95 0.13 0.25 -4.98 119.36 114.20 1ais n ILE 90 Ca -0.02 -1.00 0.00 0.00 -1.10 0.00 0.00 62.75 60.63 1ais n ILE 90 Cb 0.06 0.50 0.00 0.00 -0.84 0.00 0.00 39.64 39.36 1ais n ILE 90 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ais n GLY 91 N 0.47 0.29 3.76 4.50 0.00 -0.50 -5.07 105.19 108.62 1ais n GLY 91 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ais n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ais s VAL 92 N -2.00 2.96 -0.03 1.61 1.01 -0.92 -4.97 120.40 118.06 1ais s VAL 92 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1ais s VAL 92 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1ais s VAL 92 CO 0.00 0.18 -0.22 -1.59 0.00 0.00 0.00 175.10 173.47 1ais s LYS 93 N -1.14 1.92 -0.10 2.72 -2.85 -1.26 -4.22 119.74 114.81 1ais s LYS 93 Ca 0.51 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.69 1ais s LYS 93 Cb -0.38 -1.78 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 1ais s LYS 93 CO 0.46 0.43 -0.04 -0.06 0.10 0.00 0.00 175.35 176.24 1ais s PHE 94 N -0.38 3.02 0.32 1.78 0.08 -1.26 -4.74 117.98 116.79 1ais s PHE 94 Ca 0.05 -0.03 0.30 0.00 0.12 0.00 0.00 56.93 57.37 1ais s PHE 94 Cb -0.10 -1.80 1.43 0.00 -0.57 0.00 0.00 43.02 41.99 1ais s PHE 94 CO 0.00 0.26 2.04 0.87 -0.10 0.00 0.00 175.22 178.29 1ais h LYS 95 N 5.63 0.00 -2.21 0.44 1.79 -1.73 -3.46 116.57 117.03 1ais h LYS 95 Ca -0.44 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1ais h LYS 95 Cb 1.18 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.76 1ais h LYS 95 CO 0.56 0.10 0.65 -0.98 -1.08 0.00 0.00 179.45 178.70 1ais s ARG 96 N -3.96 0.97 0.73 3.15 1.70 -1.26 -5.15 118.95 115.13 1ais s ARG 96 Ca -0.02 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.50 1ais s ARG 96 Cb 0.12 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.83 1ais s ARG 96 CO 0.57 -0.45 1.22 0.00 -1.08 0.00 0.00 175.30 175.56 1ais s ALA 97 N -2.50 2.09 0.30 7.88 0.00 -1.26 -4.79 121.76 123.48 1ais s ALA 97 Ca 0.19 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1ais s ALA 97 Cb -0.00 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 1ais s ALA 97 CO 0.02 -1.93 1.51 -2.30 0.00 0.00 0.00 175.76 173.06 1ais n PRO 98 N -2.72 2.50 -3.53 0.00 -0.02 -1.26 -4.92 135.00 125.05 1ais n PRO 98 Ca 0.14 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 62.10 1ais n PRO 98 Cb 0.50 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 1ais n PRO 98 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ais s GLN 99 N -0.85 3.55 -0.20 -0.52 0.74 -0.52 -4.94 119.66 116.92 1ais s GLN 99 Ca 0.62 -0.59 -0.03 0.00 0.05 0.00 0.00 55.36 55.41 1ais s GLN 99 Cb -0.53 -3.79 -0.01 0.00 1.10 0.00 0.00 33.01 29.78 1ais s GLN 99 CO 0.52 -0.42 -0.06 0.42 -0.55 0.00 0.00 175.29 175.21 1ais s ILE 100 N 1.75 3.35 -0.13 -2.34 1.01 -1.26 -1.09 121.20 122.48 1ais s ILE 100 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1ais s ILE 100 Cb -0.17 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1ais s ILE 100 CO 0.11 0.45 -0.11 -1.81 0.00 0.00 0.00 174.94 173.57 1ais s ASP 101 N 1.19 2.47 0.03 3.58 1.01 -0.34 -5.01 116.67 119.60 1ais s ASP 101 Ca 0.02 -0.41 -0.30 0.00 0.71 0.00 0.00 52.55 52.57 1ais s ASP 101 Cb -0.14 -1.04 -0.06 0.00 1.01 0.00 0.00 42.92 42.69 1ais s ASP 101 CO -0.01 -0.08 1.29 -0.69 0.21 0.00 0.00 175.17 175.89 1ais s VAL 102 N 1.57 3.84 -0.04 -1.27 1.01 -1.26 -0.85 120.40 123.39 1ais s VAL 102 Ca 0.05 1.27 0.12 0.00 0.00 0.00 0.00 61.98 63.42 1ais s VAL 102 Cb -0.13 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 32.25 1ais s VAL 102 CO -0.09 0.05 0.22 0.00 0.00 0.00 0.00 175.10 175.28 1ais n GLN 103 N 4.56 0.79 -3.63 2.72 1.13 0.94 -4.92 117.38 118.96 1ais n GLN 103 Ca 0.11 -0.09 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 1ais n GLN 103 Cb 0.45 -1.30 -0.07 0.00 0.11 0.00 0.00 30.24 29.43 1ais n GLN 103 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ais s ASN 104 N -3.67 -0.69 -0.05 1.08 2.47 -1.04 -4.72 114.94 108.32 1ais s ASN 104 Ca -0.05 1.32 0.02 0.00 0.42 0.00 0.00 52.86 54.57 1ais s ASN 104 Cb 0.07 1.33 0.02 0.00 -1.45 0.00 0.00 41.25 41.22 1ais s ASN 104 CO 0.51 -0.23 -0.09 -0.04 -3.72 0.00 0.00 177.10 173.54 1ais s MET 105 N 0.44 1.26 -0.20 0.43 -1.94 0.28 -0.63 119.30 118.94 1ais s MET 105 Ca -0.00 -0.27 -0.04 0.00 -1.71 0.00 0.00 55.69 53.67 1ais s MET 105 Cb -0.05 -1.11 -0.02 0.00 2.01 0.00 0.00 34.83 35.66 1ais s MET 105 CO -0.02 -0.01 -0.02 0.08 -0.01 0.00 0.00 175.02 175.03 1ais s VAL 106 N 0.73 3.72 0.11 -6.03 1.01 -0.08 -3.06 120.40 116.79 1ais s VAL 106 Ca -0.13 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1ais s VAL 106 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1ais s VAL 106 CO 0.02 0.44 -0.16 -0.36 0.00 0.00 0.00 175.10 175.03 1ais s PHE 107 N 1.06 2.59 0.20 5.22 0.40 0.12 -0.59 117.98 126.97 1ais s PHE 107 Ca 0.01 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.21 1ais s PHE 107 Cb -0.14 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1ais s PHE 107 CO 0.01 0.38 -0.15 -1.54 0.70 0.00 0.00 175.22 174.62 1ais s SER 108 N -2.09 3.93 0.00 1.36 1.04 0.18 -0.52 113.70 117.59 1ais s SER 108 Ca 0.18 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1ais s SER 108 Cb -0.11 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1ais s SER 108 CO 0.10 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1ais n GLY 109 N -0.04 1.41 2.87 7.32 0.00 0.47 -0.13 105.19 117.08 1ais n GLY 109 Ca -0.10 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1ais n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ais s ASP 110 N 0.13 -0.04 0.00 1.61 -1.08 0.47 -1.08 116.67 116.68 1ais s ASP 110 Ca 0.00 0.17 0.24 0.00 -0.52 0.00 0.00 52.55 52.44 1ais s ASP 110 Cb 0.00 0.08 0.49 0.00 -1.46 0.00 0.00 42.92 42.04 1ais s ASP 110 CO 0.00 -0.12 1.43 2.30 0.52 0.00 0.00 175.17 179.30 1ais n ILE 111 N 3.97 0.17 0.00 4.11 -5.35 -0.62 -0.89 119.36 120.76 1ais n ILE 111 Ca -0.24 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1ais n ILE 111 Cb 0.53 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1ais n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ais n GLY 112 N 1.33 1.75 3.72 3.28 0.00 -1.25 -4.48 105.19 109.54 1ais n GLY 112 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1ais n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ais s ARG 113 N -0.11 1.92 0.48 1.61 1.70 -1.26 -5.08 118.95 118.20 1ais s ARG 113 Ca 0.00 -1.34 -0.01 0.00 -0.47 0.00 0.00 55.73 53.91 1ais s ARG 113 Cb 0.00 0.56 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 1ais s ARG 113 CO 0.00 -0.86 0.72 -1.21 -1.08 0.00 0.00 175.30 172.87 1ais s GLU 114 N -3.22 3.08 0.01 3.89 2.02 -1.26 -3.75 118.70 119.46 1ais s GLU 114 Ca 0.18 -0.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 1ais s GLU 114 Cb -0.04 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1ais s GLU 114 CO 0.11 -0.34 0.05 -0.06 0.02 0.00 0.00 175.26 175.05 1ais s PHE 115 N -2.65 0.12 -0.72 1.61 0.40 -0.37 -4.91 117.98 111.46 1ais s PHE 115 Ca 0.49 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 56.40 1ais s PHE 115 Cb -0.10 -0.10 0.15 0.00 0.51 0.00 0.00 43.02 43.48 1ais s PHE 115 CO 0.40 -0.20 0.76 1.21 0.70 0.00 0.00 175.22 178.09 1ais s ASN 116 N -1.18 6.47 0.60 1.36 3.84 -1.26 -4.45 114.94 120.32 1ais s ASN 116 Ca -0.13 -2.05 0.28 0.00 0.21 0.00 0.00 52.86 51.18 1ais s ASN 116 Cb -0.07 -2.27 1.38 0.00 -0.55 0.00 0.00 41.25 39.73 1ais s ASN 116 CO 0.00 -0.87 1.78 -0.07 -2.79 0.00 0.00 177.10 175.16 1ais h LEU 117 N 9.08 0.00 -0.45 3.21 4.07 -1.95 0.96 115.31 130.23 1ais h LEU 117 Ca -0.08 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1ais h LEU 117 Cb 1.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1ais h LEU 117 CO 0.97 0.00 -0.04 0.44 -1.08 0.00 0.00 178.44 178.72 1ais h ASP 118 N 0.00 0.82 -0.08 -0.43 3.32 -1.99 0.56 116.42 118.62 1ais h ASP 118 Ca 0.24 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1ais h ASP 118 Cb 1.45 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ais h ASP 118 CO -0.00 0.95 -0.03 0.58 -1.72 0.00 0.00 179.24 179.03 1ais h VAL 119 N 0.67 1.30 -0.50 -1.35 2.07 -1.27 -2.94 116.25 114.24 1ais h VAL 119 Ca 0.12 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.75 1ais h VAL 119 Cb 0.56 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1ais h VAL 119 CO 0.03 0.27 0.11 0.58 0.02 0.00 0.00 177.57 178.58 1ais h VAL 120 N -0.19 0.73 -0.07 2.57 2.07 -1.18 -0.05 116.25 120.13 1ais h VAL 120 Ca 0.02 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ais h VAL 120 Cb 0.44 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ais h VAL 120 CO 0.01 0.05 0.08 0.00 0.02 0.00 0.00 177.57 177.72 1ais h ALA 121 N 1.38 1.65 -0.01 1.67 0.00 -0.81 0.24 119.26 123.37 1ais h ALA 121 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ais h ALA 121 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ais h ALA 121 CO -0.32 -0.11 -0.55 1.28 0.00 0.00 0.00 179.25 179.55 1ais n LEU 122 N -3.85 1.88 0.00 0.00 4.77 -0.16 -4.58 117.00 115.06 1ais n LEU 122 Ca -0.01 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1ais n LEU 122 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1ais n LEU 122 CO 0.28 0.36 -0.50 0.35 -1.33 0.00 0.00 177.39 176.55 1ais n THR 123 N -0.24 0.00 -2.54 -5.08 -2.24 -0.48 -4.99 114.28 98.71 1ais n THR 123 Ca 0.08 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1ais n THR 123 Cb 0.45 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1ais n THR 123 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ais s LEU 124 N -4.37 3.98 0.31 3.22 2.96 0.75 -5.01 118.68 120.51 1ais s LEU 124 Ca 0.00 1.25 -0.28 0.00 -0.22 0.00 0.00 54.13 54.87 1ais s LEU 124 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 1ais s LEU 124 CO 0.00 -0.89 1.11 -2.84 -1.32 0.00 0.00 176.35 172.41 1ais s PRO 125 N 3.72 4.53 -0.96 0.98 0.02 -1.26 -4.06 135.00 137.96 1ais s PRO 125 Ca 0.50 1.80 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1ais s PRO 125 Cb -0.15 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1ais s PRO 125 CO 0.16 0.11 0.81 0.09 -0.33 0.00 0.00 177.00 177.84 1ais n ASN 126 N 0.94 -2.32 -4.31 2.53 5.03 -1.26 -5.01 115.26 110.86 1ais n ASN 126 Ca 0.00 -0.49 -0.16 0.00 0.87 0.00 0.00 54.58 54.80 1ais n ASN 126 Cb 0.45 -4.17 -0.10 0.00 -1.02 0.00 0.00 39.78 34.94 1ais n ASN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ais s GLU 128 N -3.75 1.66 -0.22 0.00 2.02 0.66 -4.95 118.70 114.11 1ais s GLU 128 Ca 0.22 -1.12 -0.08 0.00 0.02 0.00 0.00 54.97 54.01 1ais s GLU 128 Cb 0.03 -1.87 0.10 0.00 0.10 0.00 0.00 34.13 32.48 1ais s GLU 128 CO 0.05 0.48 0.47 -0.47 0.02 0.00 0.00 175.26 175.81 1ais s TYR 129 N -0.85 -0.93 -0.42 1.61 5.04 -1.26 -0.41 117.35 120.13 1ais s TYR 129 Ca 0.11 1.71 0.04 0.00 -2.44 0.00 0.00 57.07 56.49 1ais s TYR 129 Cb -0.10 0.42 0.17 0.00 0.35 0.00 0.00 41.96 42.80 1ais s TYR 129 CO 0.03 -0.53 0.39 -1.21 -1.34 0.00 0.00 175.55 172.89 1ais s GLU 130 N 2.68 0.89 0.00 4.97 0.41 -1.26 -4.99 118.70 121.41 1ais s GLU 130 Ca -0.02 -1.86 0.03 0.00 -0.41 0.00 0.00 54.97 52.71 1ais s GLU 130 Cb -0.12 -1.18 0.15 0.00 -1.78 0.00 0.00 34.13 31.21 1ais s GLU 130 CO -0.14 -1.36 1.04 -0.35 -0.49 0.00 0.00 175.26 173.95 1ais n PRO 131 N 2.99 0.02 0.16 0.39 -0.04 -1.20 -0.34 135.00 136.98 1ais n PRO 131 Ca 0.26 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1ais n PRO 131 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1ais n PRO 131 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ais h GLU 132 N 0.00 0.00 0.00 0.54 4.81 -2.02 -3.38 114.58 114.53 1ais h GLU 132 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1ais h GLU 132 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ais h GLU 132 CO 0.00 0.00 -1.28 0.94 -0.73 0.00 0.00 179.01 177.94 1ais n GLN 133 N -2.83 1.20 -3.67 1.92 -0.06 0.13 -5.08 117.38 108.99 1ais n GLN 133 Ca 0.03 0.02 -0.14 0.00 -2.00 0.00 0.00 57.00 54.91 1ais n GLN 133 Cb 0.52 -1.10 -0.08 0.00 -4.06 0.00 0.00 30.24 25.52 1ais n GLN 133 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 1ais s PHE 134 N -2.10 -0.60 -2.00 3.69 5.36 0.54 -5.07 117.98 117.80 1ais s PHE 134 Ca -0.05 1.42 0.17 0.00 -0.96 0.00 0.00 56.93 57.51 1ais s PHE 134 Cb 0.02 0.22 1.03 0.00 -0.34 0.00 0.00 43.02 43.95 1ais s PHE 134 CO 0.13 -0.33 1.58 -0.35 -1.46 0.00 0.00 175.22 174.80 1ais n PRO 135 N 2.56 0.88 -4.45 10.12 -0.04 -1.26 -3.24 135.00 139.57 1ais n PRO 135 Ca -0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 1ais n PRO 135 Cb 0.56 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1ais n PRO 135 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ais s GLY 136 N -1.66 1.85 -0.14 0.55 0.00 -1.26 -4.62 107.32 102.03 1ais s GLY 136 Ca 0.26 -1.83 -0.25 0.00 0.00 0.00 0.00 44.72 42.90 1ais s GLY 136 CO 0.20 -1.90 0.80 0.14 0.00 0.00 0.00 173.10 172.33 1ais s VAL 137 N -2.36 4.92 -0.30 1.40 1.01 0.40 -4.60 120.40 120.88 1ais s VAL 137 Ca 0.29 1.58 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 1ais s VAL 137 Cb -0.06 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1ais s VAL 137 CO 0.14 0.08 0.52 -0.63 0.00 0.00 0.00 175.10 175.22 1ais s ILE 138 N 1.82 5.04 -0.17 2.22 1.01 0.45 -1.25 121.20 130.32 1ais s ILE 138 Ca 0.38 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.73 1ais s ILE 138 Cb -0.17 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1ais s ILE 138 CO 0.14 -0.04 -0.19 -0.47 0.00 0.00 0.00 174.94 174.39 1ais s TYR 139 N 2.37 2.63 -0.33 3.97 5.04 -0.46 -0.24 117.35 130.33 1ais s TYR 139 Ca 0.21 -1.54 -0.18 0.00 -2.44 0.00 0.00 57.07 53.11 1ais s TYR 139 Cb -0.15 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1ais s TYR 139 CO 0.11 -0.77 0.54 1.03 -1.34 0.00 0.00 175.55 175.11 1ais s ARG 140 N 1.33 3.75 -0.23 4.97 0.52 -1.26 -1.43 118.95 126.61 1ais s ARG 140 Ca 0.05 0.01 -0.21 0.00 -0.52 0.00 0.00 55.73 55.06 1ais s ARG 140 Cb -0.13 -3.77 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 1ais s ARG 140 CO -0.12 -0.58 0.65 0.08 0.02 0.00 0.00 175.30 175.35 1ais s VAL 141 N 2.43 4.98 0.04 3.52 1.01 0.11 -4.98 120.40 127.51 1ais s VAL 141 Ca 0.20 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1ais s VAL 141 Cb -0.15 -3.96 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 1ais s VAL 141 CO 0.13 0.04 1.42 0.50 0.00 0.00 0.00 175.10 177.19 1ais h LYS 142 N 7.74 -0.64 -3.25 2.72 1.63 -1.96 -2.17 116.57 120.63 1ais h LYS 142 Ca -0.28 0.04 -0.38 0.00 -0.85 0.00 0.00 60.65 59.19 1ais h LYS 142 Cb 1.13 0.15 -0.39 0.00 -0.60 0.00 0.00 32.23 32.51 1ais h LYS 142 CO 0.78 -0.36 -0.73 -2.00 -3.45 0.00 0.00 179.45 173.69 1ais s GLU 143 N -5.38 -0.05 0.15 1.90 2.56 -1.26 -2.25 118.70 114.37 1ais s GLU 143 Ca -0.16 0.33 -0.30 0.00 0.00 0.00 0.00 54.97 54.84 1ais s GLU 143 Cb 0.03 -0.69 -0.07 0.00 2.00 0.00 0.00 34.13 35.40 1ais s GLU 143 CO 0.57 -0.38 1.04 -1.25 -0.56 0.00 0.00 175.26 174.68 1ais s PRO 144 N 2.17 4.64 -0.35 4.30 0.04 -1.26 -4.91 135.00 139.63 1ais s PRO 144 Ca 0.04 1.61 -0.37 0.00 0.04 0.00 0.00 61.00 62.32 1ais s PRO 144 Cb -0.13 -3.32 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 1ais s PRO 144 CO -0.04 0.13 2.12 1.17 0.04 0.00 0.00 177.00 180.42 1ais n LYS 145 N 2.55 0.99 -3.75 4.56 4.81 -0.95 -4.74 118.16 121.63 1ais n LYS 145 Ca 0.03 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.73 1ais n LYS 145 Cb 0.47 -2.30 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 1ais n LYS 145 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ais s SER 146 N 6.56 -0.12 -0.02 3.14 1.04 -0.82 -4.24 113.70 119.25 1ais s SER 146 Ca 1.09 -0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.20 1ais s SER 146 Cb -0.96 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1ais s SER 146 CO 0.53 -0.76 -0.19 -0.69 0.98 0.00 0.00 173.24 173.12 1ais s VAL 147 N -2.89 1.48 -0.08 5.02 1.01 -0.17 -0.71 120.40 124.05 1ais s VAL 147 Ca 0.14 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1ais s VAL 147 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1ais s VAL 147 CO 0.01 0.42 -0.21 -0.63 0.00 0.00 0.00 175.10 174.69 1ais s ILE 148 N -0.43 1.81 -0.26 2.22 1.01 -0.51 -0.52 121.20 124.53 1ais s ILE 148 Ca 0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 1ais s ILE 148 Cb -0.07 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1ais s ILE 148 CO -0.01 0.51 0.16 -0.76 0.00 0.00 0.00 174.94 174.84 1ais s LEU 149 N 0.33 3.96 -0.14 2.97 1.43 0.86 -1.36 118.68 126.74 1ais s LEU 149 Ca -0.15 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1ais s LEU 149 Cb -0.17 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1ais s LEU 149 CO 0.07 0.00 -0.11 -0.22 0.23 0.00 0.00 176.35 176.32 1ais s LEU 150 N 1.44 2.84 0.27 1.79 2.96 -0.38 -1.54 118.68 126.05 1ais s LEU 150 Ca 0.07 -0.28 0.10 0.00 -0.22 0.00 0.00 54.13 53.79 1ais s LEU 150 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1ais s LEU 150 CO 0.07 0.17 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.89 1ais s PHE 151 N 0.35 2.67 0.44 5.38 0.40 -0.69 -0.45 117.98 126.08 1ais s PHE 151 Ca -0.09 -0.23 0.16 0.00 -0.60 0.00 0.00 56.93 56.17 1ais s PHE 151 Cb -0.16 -1.18 1.09 0.00 0.51 0.00 0.00 43.02 43.28 1ais s PHE 151 CO 0.05 0.63 1.94 0.77 0.70 0.00 0.00 175.22 179.30 1ais h SER 152 N 1.91 0.34 0.67 1.36 0.02 -1.82 0.25 113.55 116.28 1ais h SER 152 Ca -0.44 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ais h SER 152 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1ais h SER 152 CO 0.60 0.18 0.00 0.77 -1.14 0.00 0.00 176.83 177.25 1ais h SER 153 N 0.37 0.00 0.00 3.07 4.64 -1.90 -0.97 113.55 118.76 1ais h SER 153 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ais h SER 153 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1ais h SER 153 CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 1ais n GLY 154 N -0.17 0.59 3.79 -0.77 0.00 0.87 -4.31 105.19 105.19 1ais n GLY 154 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1ais n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ais s LYS 155 N -0.81 3.05 0.19 1.61 -0.14 -1.26 -1.59 119.74 120.80 1ais s LYS 155 Ca 0.00 1.22 -0.06 0.00 -1.36 0.00 0.00 55.97 55.77 1ais s LYS 155 Cb 0.00 -1.99 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1ais s LYS 155 CO 0.00 -1.03 0.25 0.96 -0.76 0.00 0.00 175.35 174.77 1ais s ILE 156 N -2.53 0.03 -0.05 2.17 -4.36 -0.24 -1.70 121.20 114.52 1ais s ILE 156 Ca 0.64 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1ais s ILE 156 Cb -0.17 -2.18 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1ais s ILE 156 CO 0.42 -0.15 0.03 -0.69 0.24 0.00 0.00 174.94 174.79 1ais s VAL 157 N -4.05 0.08 -0.19 8.37 1.01 -0.59 -0.40 120.40 124.63 1ais s VAL 157 Ca 0.27 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1ais s VAL 157 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1ais s VAL 157 CO 0.06 0.19 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 1ais s SER 159 N 1.06 2.37 0.00 0.00 0.01 0.33 -0.70 113.70 116.77 1ais s SER 159 Ca 0.01 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1ais s SER 159 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1ais s SER 159 CO -0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1ais n GLY 160 N 0.87 2.64 3.74 3.44 0.00 -1.17 -1.00 105.19 113.70 1ais n GLY 160 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1ais n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ais s ALA 161 N -2.68 2.46 -1.38 4.61 0.00 -1.26 -4.61 121.76 118.90 1ais s ALA 161 Ca 0.00 1.11 0.14 0.00 0.00 0.00 0.00 51.96 53.21 1ais s ALA 161 Cb 0.00 -3.50 0.27 0.00 0.00 0.00 0.00 23.12 19.89 1ais s ALA 161 CO 0.00 -1.38 1.17 1.63 0.00 0.00 0.00 175.76 177.18 1ais n LYS 162 N -1.75 2.09 -3.67 0.00 5.02 -1.26 -0.56 118.16 118.03 1ais n LYS 162 Ca 0.15 -1.85 -0.10 0.00 -2.02 0.00 0.00 58.31 54.49 1ais n LYS 162 Cb 0.49 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1ais n LYS 162 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ais s SER 163 N -1.06 -0.27 0.17 4.39 1.04 -1.26 -4.85 113.70 111.85 1ais s SER 163 Ca 0.24 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 1ais s SER 163 Cb 0.14 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1ais s SER 163 CO 0.19 -0.96 1.58 -0.33 0.98 0.00 0.00 173.24 174.70 1ais h GLU 164 N 2.25 1.03 0.00 4.02 5.08 -2.00 -2.91 114.58 122.06 1ais h GLU 164 Ca -0.31 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 57.60 1ais h GLU 164 Cb 1.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1ais h GLU 164 CO 0.41 1.09 -0.23 0.00 -1.00 0.00 0.00 179.01 179.28 1ais h ALA 165 N 0.91 1.54 -0.22 3.43 0.00 -1.99 -1.73 119.26 121.21 1ais h ALA 165 Ca 0.13 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1ais h ALA 165 Cb 0.72 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ais h ALA 165 CO 0.06 0.29 -0.67 -0.44 0.00 0.00 0.00 179.25 178.48 1ais h ASP 166 N 0.00 0.97 -0.34 0.00 5.19 -1.94 -2.10 116.42 118.21 1ais h ASP 166 Ca -0.00 -0.58 -0.10 0.00 -0.62 0.00 0.00 57.03 55.73 1ais h ASP 166 Cb 0.43 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1ais h ASP 166 CO 0.03 1.38 -0.13 0.00 -3.12 0.00 0.00 179.24 177.40 1ais h ALA 167 N 0.61 0.97 -0.38 3.45 0.00 -1.27 0.11 119.26 122.76 1ais h ALA 167 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1ais h ALA 167 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ais h ALA 167 CO 0.14 0.61 -0.10 2.35 0.00 0.00 0.00 179.25 182.25 1ais h TRP 168 N 0.70 0.70 -0.32 0.00 7.01 -1.30 -1.00 115.95 121.75 1ais h TRP 168 Ca 0.12 -0.11 -0.14 0.00 2.11 0.00 0.00 58.89 60.86 1ais h TRP 168 Cb 0.62 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1ais h TRP 168 CO 0.03 0.73 -0.37 1.49 -2.79 0.00 0.00 178.44 177.53 1ais h GLU 169 N 0.60 0.81 -0.92 2.65 4.57 -0.77 -0.38 114.58 121.13 1ais h GLU 169 Ca 0.11 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1ais h GLU 169 Cb 0.53 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1ais h GLU 169 CO 0.03 1.08 0.55 0.00 -1.18 0.00 0.00 179.01 179.49 1ais h ALA 170 N 0.72 1.18 -0.17 2.92 0.00 -0.50 -0.28 119.26 123.12 1ais h ALA 170 Ca 0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1ais h ALA 170 Cb 0.95 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ais h ALA 170 CO 0.09 0.65 -0.54 0.28 0.00 0.00 0.00 179.25 179.73 1ais h VAL 171 N 1.28 1.33 -0.85 0.00 2.07 -0.99 -2.33 116.25 116.76 1ais h VAL 171 Ca 0.33 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1ais h VAL 171 Cb -0.04 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1ais h VAL 171 CO -0.06 0.55 0.45 -0.09 0.02 0.00 0.00 177.57 178.44 1ais h ARG 172 N 0.39 1.20 -0.35 1.57 2.43 -0.40 0.41 114.38 119.63 1ais h ARG 172 Ca 0.01 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1ais h ARG 172 Cb 1.07 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1ais h ARG 172 CO 0.10 0.89 -0.15 0.87 -1.51 0.00 0.00 179.97 180.18 1ais h LYS 173 N 1.19 0.63 -0.13 0.20 1.57 -0.84 -1.18 116.57 118.00 1ais h LYS 173 Ca 0.30 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1ais h LYS 173 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ais h LYS 173 CO -0.04 0.75 -0.39 1.25 -0.57 0.00 0.00 179.45 180.45 1ais h LEU 174 N 0.57 0.57 -2.17 2.94 5.85 -0.97 -3.07 115.31 119.03 1ais h LEU 174 Ca 0.10 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1ais h LEU 174 Cb 0.58 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ais h LEU 174 CO 0.04 1.06 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.07 1ais h LEU 175 N 0.11 0.00 -0.74 2.25 3.38 -0.73 -1.39 115.31 118.18 1ais h LEU 175 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1ais h LEU 175 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1ais h LEU 175 CO 0.08 0.06 -0.18 -0.09 0.09 0.00 0.00 178.44 178.41 1ais h ARG 176 N 0.00 0.77 0.00 1.13 1.12 -1.12 -1.49 114.38 114.79 1ais h ARG 176 Ca -0.00 -0.29 -0.04 0.00 -1.11 0.00 0.00 59.98 58.54 1ais h ARG 176 Cb 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1ais h ARG 176 CO 0.01 0.89 -0.17 0.93 -3.11 0.00 0.00 179.97 178.52 1ais h GLU 177 N 0.68 0.12 -0.77 0.20 4.39 -1.29 -3.31 114.58 114.59 1ais h GLU 177 Ca 0.10 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1ais h GLU 177 Cb 0.68 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1ais h GLU 177 CO 0.05 0.89 0.51 -0.07 -1.16 0.00 0.00 179.01 179.23 1ais h LEU 178 N -0.60 0.83 0.00 1.33 3.38 -1.31 -2.62 115.31 116.32 1ais h LEU 178 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ais h LEU 178 Cb 0.95 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ais h LEU 178 CO 0.03 0.58 0.00 0.47 0.09 0.00 0.00 178.44 179.61 1ais n ASP 179 N -4.44 0.00 0.07 -0.43 8.00 -0.56 -2.75 116.55 116.44 1ais n ASP 179 Ca 0.09 -0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.47 1ais n ASP 179 Cb 0.09 -0.21 0.46 0.00 -0.02 0.00 0.00 41.12 41.44 1ais n ASP 179 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ais n LYS 180 N -1.21 0.15 0.00 -1.24 5.02 -0.99 -5.09 118.16 114.80 1ais n LYS 180 Ca 0.13 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1ais n LYS 180 Cb 0.16 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1ais n LYS 180 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54