#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a s ALA 2 N 0.00 3.46 0.36 0.00 0.00 -1.26 -4.77 121.76 119.54 1p8a s ALA 2 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1p8a s ALA 2 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1p8a s ALA 2 CO 0.00 -1.31 0.70 -2.00 0.00 0.00 0.00 175.76 173.15 1p8a s GLU 3 N 2.38 3.75 -0.12 0.00 2.56 -1.15 -5.01 118.70 121.12 1p8a s GLU 3 Ca 0.18 0.35 -0.13 0.00 0.00 0.00 0.00 54.97 55.36 1p8a s GLU 3 Cb -0.16 -2.47 -0.12 0.00 2.00 0.00 0.00 34.13 33.39 1p8a s GLU 3 CO 0.14 0.05 0.32 -0.22 -0.56 0.00 0.00 175.26 174.99 1p8a h LYS 4 N 1.47 0.00 0.00 4.30 1.63 -1.96 -3.44 116.57 118.58 1p8a h LYS 4 Ca -0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1p8a h LYS 4 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1p8a h LYS 4 CO 0.65 0.46 0.00 0.36 -3.45 0.00 0.00 179.45 177.46 1p8a n LYS 5 N -4.69 0.00 -3.51 1.90 2.85 -1.26 -3.04 118.16 110.41 1p8a n LYS 5 Ca -0.06 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 1p8a n LYS 5 Cb 0.24 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.59 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8a s ALA 6 N -0.76 -1.82 -0.31 0.58 0.00 -1.26 0.21 121.76 118.40 1p8a s ALA 6 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1p8a s ALA 6 Cb 0.00 0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.35 1p8a s ALA 6 CO 0.00 -0.57 -0.00 0.08 0.00 0.00 0.00 175.76 175.27 1p8a s VAL 7 N -2.49 2.13 -0.67 0.00 1.01 0.18 -0.58 120.40 119.98 1p8a s VAL 7 Ca 0.01 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 59.71 1p8a s VAL 7 Cb -0.01 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.79 1p8a s VAL 7 CO -0.05 -0.41 2.42 -0.11 0.00 0.00 0.00 175.10 176.95 1p8a n LEU 8 N 4.36 1.96 -4.57 3.92 7.94 0.48 -0.36 117.00 130.73 1p8a n LEU 8 Ca -0.03 -1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 53.40 1p8a n LEU 8 Cb 0.42 -1.61 -0.03 0.00 0.53 0.00 0.00 43.42 42.73 1p8a n LEU 8 CO 0.21 -2.17 1.19 -0.36 -1.11 0.00 0.00 177.39 175.14 1p8a s PHE 9 N 13.56 2.37 0.25 1.96 0.08 0.22 0.28 117.98 136.69 1p8a s PHE 9 Ca 0.96 0.33 0.08 0.00 0.12 0.00 0.00 56.93 58.42 1p8a s PHE 9 Cb -0.17 -4.49 -0.05 0.00 -0.57 0.00 0.00 43.02 37.74 1p8a s PHE 9 CO 0.17 -1.88 -0.13 0.08 -0.10 0.00 0.00 175.22 173.36 1p8a s VAL 10 N 5.71 1.88 -0.43 -0.44 1.01 -0.52 -1.28 120.40 126.33 1p8a s VAL 10 Ca 0.45 -2.22 0.05 0.00 0.00 0.00 0.00 61.98 60.25 1p8a s VAL 10 Cb -0.09 -2.25 0.29 0.00 0.00 0.00 0.00 36.38 34.33 1p8a s VAL 10 CO 0.22 -0.45 1.11 0.00 0.00 0.00 0.00 175.10 175.99 1p8a n LEU 12 N 0.94 -2.16 0.00 0.00 4.77 -1.26 -3.45 117.00 115.83 1p8a n LEU 12 Ca 0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1p8a n LEU 12 Cb 0.69 -2.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1p8a n LEU 12 CO -0.01 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1p8a n GLY 13 N -1.28 1.78 2.97 -0.72 0.00 -1.26 -4.76 105.19 101.93 1p8a n GLY 13 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1p8a n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p8a n ASN 14 N 0.00 -3.96 -0.36 1.61 5.15 -1.22 -4.18 115.26 112.29 1p8a n ASN 14 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 1p8a n ASN 14 Cb 0.00 -2.50 0.12 0.00 -0.53 0.00 0.00 39.78 36.87 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1p8a n ILE 15 N -2.20 0.00 -3.91 -1.44 5.41 -1.26 -4.43 119.36 111.53 1p8a n ILE 15 Ca 0.00 -0.19 -0.06 0.00 1.00 0.00 0.00 62.75 63.51 1p8a n ILE 15 Cb 0.28 0.92 -0.02 0.00 -0.71 0.00 0.00 39.64 40.12 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p8a n ARG 17 N -0.20 0.00 -2.85 0.00 5.12 -1.26 -3.24 116.66 114.23 1p8a n ARG 17 Ca 0.01 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.73 1p8a n ARG 17 Cb 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.49 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1p8a n SER 18 N 1.73 2.87 0.00 0.55 7.64 -1.26 -4.60 113.62 120.56 1p8a n SER 18 Ca 0.00 -3.30 0.15 0.00 1.01 0.00 0.00 58.87 56.73 1p8a n SER 18 Cb 0.00 -0.55 0.89 0.00 -1.01 0.00 0.00 64.21 63.54 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1p8a n PRO 19 N -0.11 0.99 -0.21 1.43 -0.04 -1.20 -3.12 135.00 132.74 1p8a n PRO 19 Ca 0.26 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1p8a n PRO 19 Cb 0.62 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.87 1p8a n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p8a n ALA 20 N -0.97 2.44 -0.12 0.55 0.00 -1.26 -4.27 120.51 116.88 1p8a n ALA 20 Ca 0.22 -0.90 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1p8a n ALA 20 Cb 0.10 -0.95 0.37 0.00 0.00 0.00 0.00 19.45 18.97 1p8a n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a h GLU 22 N 0.71 0.16 0.40 0.00 4.57 -1.88 -0.40 114.58 118.16 1p8a h GLU 22 Ca 0.25 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1p8a h GLU 22 Cb 0.10 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1p8a h GLU 22 CO -0.07 0.38 -0.19 0.78 -1.18 0.00 0.00 179.01 178.73 1p8a h GLY 23 N -0.08 -0.57 -0.25 1.92 0.00 -1.65 -1.19 103.07 101.25 1p8a h GLY 23 Ca 0.03 0.21 0.22 0.00 0.00 0.00 0.00 47.33 47.79 1p8a h GLY 23 CO 0.00 -0.21 0.33 1.19 0.00 0.00 0.00 176.54 177.86 1p8a h ILE 24 N -1.04 0.43 0.11 2.60 6.09 -0.31 0.22 117.51 125.63 1p8a h ILE 24 Ca -0.06 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.31 1p8a h ILE 24 Cb 0.52 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.89 1p8a h ILE 24 CO 0.09 0.06 -0.05 0.00 -3.07 0.00 0.00 178.15 175.18 1p8a h ARG 26 N -0.42 0.79 0.00 0.00 2.47 0.20 0.41 114.38 117.82 1p8a h ARG 26 Ca -0.02 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.48 1p8a h ARG 26 Cb 0.34 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1p8a h ARG 26 CO 0.03 0.52 -0.81 0.22 0.56 0.00 0.00 179.97 180.48 1p8a h ASP 27 N 0.81 0.05 0.10 7.04 3.58 -0.85 0.62 116.42 127.77 1p8a h ASP 27 Ca 0.52 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1p8a h ASP 27 Cb 0.70 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1p8a h ASP 27 CO -0.34 0.84 -0.05 0.24 -2.88 0.00 0.00 179.24 177.05 1p8a h MET 28 N 0.02 -0.13 0.00 0.28 2.86 0.13 -3.36 114.93 114.73 1p8a h MET 28 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1p8a h MET 28 Cb 1.43 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1p8a h MET 28 CO 0.11 0.09 -0.67 0.28 1.06 0.00 0.00 176.91 177.78 1p8a h VAL 29 N -1.01 0.00 0.00 -2.22 2.07 -0.42 -3.49 116.25 111.18 1p8a h VAL 29 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1p8a h VAL 29 Cb 0.28 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1p8a h VAL 29 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 1p8a n GLY 30 N 1.19 2.17 2.66 2.17 0.00 0.22 -4.57 105.19 109.03 1p8a n GLY 30 Ca 0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 1p8a n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p8a n ASP 31 N 2.88 -1.23 0.00 1.61 -0.08 -1.25 -4.48 116.55 114.00 1p8a n ASP 31 Ca 0.00 -1.86 0.00 0.00 -1.51 0.00 0.00 54.79 51.42 1p8a n ASP 31 Cb 0.00 1.14 0.00 0.00 2.34 0.00 0.00 41.12 44.60 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1p8a n LYS 32 N 0.25 0.00 0.00 -0.67 4.76 -1.26 -5.13 118.16 116.11 1p8a n LYS 32 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1p8a n LYS 32 Cb 0.73 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.92 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p8a n LEU 33 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.94 117.00 115.21 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.36 1p8a n ILE 34 N 0.00 0.00 -4.08 -0.08 -6.64 0.13 -4.86 119.36 103.84 1p8a n ILE 34 Ca 0.00 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.84 1p8a n ILE 34 Cb 0.00 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.07 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.51 -1.77 0.00 0.00 176.55 174.27 1p8a s ILE 35 N -0.92 0.38 -0.35 7.28 1.10 -1.26 0.49 121.20 127.91 1p8a s ILE 35 Ca 0.00 -0.55 0.05 0.00 -0.51 0.00 0.00 60.65 59.64 1p8a s ILE 35 Cb 0.00 -0.39 0.17 0.00 0.15 0.00 0.00 42.46 42.40 1p8a s ILE 35 CO 0.00 -0.12 0.51 -0.62 -2.11 0.00 0.00 174.94 172.60 1p8a s ASP 36 N -0.72 -0.47 0.10 4.50 2.15 0.51 -4.51 116.67 118.23 1p8a s ASP 36 Ca -0.04 -0.69 -0.31 0.00 0.43 0.00 0.00 52.55 51.94 1p8a s ASP 36 Cb -0.05 1.45 -0.09 0.00 -0.30 0.00 0.00 42.92 43.93 1p8a s ASP 36 CO -0.00 -0.26 1.67 -0.44 -0.17 0.00 0.00 175.17 175.97 1p8a s SER 37 N 2.10 6.56 0.24 -0.34 0.01 -1.26 0.69 113.70 121.71 1p8a s SER 37 Ca 0.14 2.56 -0.10 0.00 1.31 0.00 0.00 55.95 59.85 1p8a s SER 37 Cb -0.10 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1p8a s SER 37 CO -0.15 -0.90 0.42 0.00 0.41 0.00 0.00 173.24 173.02 1p8a s ALA 38 N 2.41 0.03 0.01 1.44 0.00 -0.40 -4.85 121.76 120.40 1p8a s ALA 38 Ca 0.75 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1p8a s ALA 38 Cb -0.42 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1p8a s ALA 38 CO 0.33 -0.81 -0.03 0.00 0.00 0.00 0.00 175.76 175.25 1p8a s ALA 39 N -3.99 0.21 -0.07 0.00 0.00 -1.26 -3.90 121.76 112.75 1p8a s ALA 39 Ca 0.25 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1p8a s ALA 39 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1p8a s ALA 39 CO 0.10 -0.05 0.08 -2.37 0.00 0.00 0.00 175.76 173.52 1p8a n THR 40 N 2.24 0.00 -3.83 0.00 5.66 -1.26 -3.13 114.28 113.96 1p8a n THR 40 Ca -0.18 -0.47 -0.36 0.00 -3.05 0.00 0.00 64.05 59.99 1p8a n THR 40 Cb 0.57 1.00 -0.13 0.00 -1.55 0.00 0.00 70.33 70.22 1p8a n THR 40 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1p8a s SER 41 N -1.10 5.10 -0.54 1.09 0.15 -1.26 -4.79 113.70 112.34 1p8a s SER 41 Ca 0.01 -1.25 -0.28 0.00 0.70 0.00 0.00 55.95 55.13 1p8a s SER 41 Cb 0.01 -1.79 -0.10 0.00 -1.71 0.00 0.00 66.02 62.44 1p8a s SER 41 CO 0.06 -0.30 2.43 0.61 1.20 0.00 0.00 173.24 177.24 1p8a n GLY 42 N 4.70 0.16 3.46 9.45 0.00 -1.26 -4.48 105.19 117.23 1p8a n GLY 42 Ca -0.12 0.77 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 1p8a n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p8a s PHE 43 N 11.04 -0.47 -1.69 1.61 0.08 -1.26 -4.93 117.98 122.37 1p8a s PHE 43 Ca 1.06 0.27 0.00 0.00 0.12 0.00 0.00 56.93 58.38 1p8a s PHE 43 Cb -0.42 0.56 0.00 0.00 -0.57 0.00 0.00 43.02 42.59 1p8a s PHE 43 CO 0.32 -0.77 0.00 1.58 -0.10 0.00 0.00 175.22 176.25 1p8a n HIS 44 N -0.35 -0.44 -3.09 0.36 -0.00 -1.26 -4.87 115.22 105.58 1p8a n HIS 44 Ca -0.14 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.70 1p8a n HIS 44 Cb 0.64 -3.28 -0.06 0.00 -0.12 0.00 0.00 29.99 27.17 1p8a n HIS 44 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1p8a s VAL 45 N -2.77 4.60 0.00 3.57 1.01 -1.26 -4.27 120.40 121.28 1p8a s VAL 45 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1p8a s VAL 45 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1p8a s VAL 45 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1p8a n GLY 46 N 0.14 1.04 0.00 4.51 0.00 -1.26 -4.95 105.19 104.67 1p8a n GLY 46 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -0.41 0.00 -2.35 1.61 10.64 -1.26 -5.12 117.38 120.50 1p8a n GLN 47 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1p8a n GLN 47 Cb 0.23 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.60 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1p8a n SER 48 N 0.00 -4.31 0.19 2.61 2.88 -1.26 -4.97 113.62 108.76 1p8a n SER 48 Ca 0.00 1.02 -0.08 0.00 -1.33 0.00 0.00 58.87 58.48 1p8a n SER 48 Cb 0.00 -4.13 -0.04 0.00 -0.75 0.00 0.00 64.21 59.29 1p8a n SER 48 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1p8a h PRO 49 N 2.49 -0.51 0.00 -1.46 0.13 -1.94 -3.46 132.00 127.24 1p8a h PRO 49 Ca -0.15 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1p8a h PRO 49 Cb 0.35 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1p8a h PRO 49 CO 0.05 -0.34 0.00 -0.25 -0.23 0.00 0.00 178.00 177.23 1p8a n ASP 50 N -4.32 0.00 0.15 1.44 8.00 -1.26 -4.77 116.55 115.79 1p8a n ASP 50 Ca -0.07 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.45 1p8a n ASP 50 Cb 0.21 -0.81 0.19 0.00 -0.02 0.00 0.00 41.12 40.68 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1p8a h THR 51 N 0.00 1.14 0.10 -3.53 2.02 -1.98 -1.23 112.91 109.44 1p8a h THR 51 Ca 0.00 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 1p8a h THR 51 Cb 0.00 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1p8a h THR 51 CO 0.00 0.53 -0.05 0.03 0.37 0.00 0.00 175.52 176.40 1p8a h ARG 52 N 0.00 -0.13 0.35 6.66 3.08 -1.88 0.10 114.38 122.56 1p8a h ARG 52 Ca -0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1p8a h ARG 52 Cb 1.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1p8a h ARG 52 CO 0.07 0.39 -0.17 1.03 -1.07 0.00 0.00 179.97 180.22 1p8a h SER 53 N -0.79 -0.39 -0.79 7.04 0.87 -1.87 -1.42 113.55 116.20 1p8a h SER 53 Ca -0.01 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1p8a h SER 53 Cb 0.57 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1p8a h SER 53 CO 0.02 -0.22 0.49 1.56 -0.53 0.00 0.00 176.83 178.15 1p8a h GLN 54 N -0.54 0.90 0.09 2.24 1.08 -1.33 -0.65 115.11 116.90 1p8a h GLN 54 Ca -0.05 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1p8a h GLN 54 Cb 0.41 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1p8a h GLN 54 CO 0.08 0.60 -0.25 -0.22 -0.95 0.00 0.00 178.83 178.08 1p8a h LYS 55 N 0.93 -0.37 -1.03 1.46 1.63 -0.45 0.83 116.57 119.57 1p8a h LYS 55 Ca 0.33 0.03 0.26 0.00 -0.85 0.00 0.00 60.65 60.41 1p8a h LYS 55 Cb 0.08 0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 1p8a h LYS 55 CO -0.14 -0.25 0.67 0.28 -3.45 0.00 0.00 179.45 176.57 1p8a h VAL 56 N -0.39 0.54 -0.42 2.00 2.07 -1.02 0.35 116.25 119.38 1p8a h VAL 56 Ca -0.01 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1p8a h VAL 56 Cb 0.38 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1p8a h VAL 56 CO -0.12 0.06 0.19 0.00 0.02 0.00 0.00 177.57 177.73 1p8a h LYS 58 N 0.39 0.00 0.00 0.00 1.57 0.13 2.36 116.57 121.02 1p8a h LYS 58 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1p8a h LYS 58 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1p8a h LYS 58 CO -0.15 0.00 -0.55 0.45 -0.57 0.00 0.00 179.45 178.63 1p8a n SER 59 N -2.76 0.56 -0.01 0.86 2.88 0.55 -4.11 113.62 111.60 1p8a n SER 59 Ca 0.05 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1p8a n SER 59 Cb 0.48 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.11 1p8a n SER 59 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p8a n ASN 60 N -1.78 4.09 0.00 -3.46 3.02 0.16 -5.03 115.26 112.27 1p8a n ASN 60 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1p8a n ASN 60 Cb 0.38 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 61 N 2.48 0.49 3.71 7.41 0.00 0.34 -5.07 105.19 114.55 1p8a n GLY 61 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1p8a n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 62 N -0.28 0.00 -0.26 1.61 1.01 0.77 -4.86 120.40 118.39 1p8a s VAL 62 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 1p8a s VAL 62 Cb 0.00 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1p8a s VAL 62 CO 0.00 0.00 0.57 -0.62 0.00 0.00 0.00 175.10 175.05 1p8a s ASP 63 N -2.99 -0.81 0.43 3.32 -1.08 -1.26 -3.51 116.67 110.77 1p8a s ASP 63 Ca 0.17 1.35 0.07 0.00 -0.52 0.00 0.00 52.55 53.63 1p8a s ASP 63 Cb -0.03 1.85 -0.02 0.00 -1.46 0.00 0.00 42.92 43.26 1p8a s ASP 63 CO 0.09 -0.22 0.33 -0.63 0.52 0.00 0.00 175.17 175.25 1p8a s ILE 64 N 2.64 2.50 -0.01 4.11 1.01 -1.26 -4.64 121.20 125.55 1p8a s ILE 64 Ca -0.05 -1.44 -0.02 0.00 0.00 0.00 0.00 60.65 59.14 1p8a s ILE 64 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1p8a s ILE 64 CO -0.17 0.00 -0.03 -0.24 0.00 0.00 0.00 174.94 174.50 1p8a n SER 65 N -1.49 0.22 -3.72 3.58 2.88 -1.26 -5.06 113.62 108.77 1p8a n SER 65 Ca 0.02 0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1p8a n SER 65 Cb 0.63 -0.38 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 1p8a n SER 65 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1p8a s LYS 66 N -1.21 0.14 -0.30 -1.46 -0.14 -1.26 -5.11 119.74 110.39 1p8a s LYS 66 Ca -0.03 0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 55.06 1p8a s LYS 66 Cb 0.00 -0.15 0.12 0.00 -1.68 0.00 0.00 37.83 36.12 1p8a s LYS 66 CO 0.04 -0.19 0.19 1.14 -0.76 0.00 0.00 175.35 175.77 1p8a s GLN 67 N 1.45 0.29 0.00 1.68 -2.07 -1.26 -5.05 119.66 114.69 1p8a s GLN 67 Ca -0.07 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 1p8a s GLN 67 Cb -0.11 -1.02 0.00 0.00 -1.09 0.00 0.00 33.01 30.79 1p8a s GLN 67 CO -0.07 -1.05 0.00 2.89 -1.32 0.00 0.00 175.29 175.74 1p8a n ARG 68 N 5.08 0.00 -4.25 9.60 1.85 -1.26 -4.80 116.66 122.88 1p8a n ARG 68 Ca -0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.49 1p8a n ARG 68 Cb 0.43 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.69 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p8a s ALA 69 N -2.00 2.68 -0.08 2.89 0.00 -1.26 -4.72 121.76 119.27 1p8a s ALA 69 Ca 0.00 -1.07 0.23 0.00 0.00 0.00 0.00 51.96 51.12 1p8a s ALA 69 Cb 0.00 -1.45 0.42 0.00 0.00 0.00 0.00 23.12 22.09 1p8a s ALA 69 CO 0.00 -0.17 1.15 2.89 0.00 0.00 0.00 175.76 179.63 1p8a n ARG 70 N 4.30 0.51 -1.51 0.00 1.85 -1.26 -4.87 116.66 115.68 1p8a n ARG 70 Ca -0.19 -2.33 0.14 0.00 -1.00 0.00 0.00 57.85 54.48 1p8a n ARG 70 Cb 0.51 -0.40 -0.08 0.00 -1.05 0.00 0.00 32.46 31.44 1p8a n ARG 70 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1p8a n GLN 71 N 0.11 -3.61 -4.03 2.89 7.27 -1.26 -5.00 117.38 113.75 1p8a n GLN 71 Ca 0.04 2.93 -0.10 0.00 0.07 0.00 0.00 57.00 59.94 1p8a n GLN 71 Cb 1.02 -4.05 -0.11 0.00 2.41 0.00 0.00 30.24 29.51 1p8a n GLN 71 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1p8a s ILE 72 N -4.58 0.26 0.00 1.69 2.07 -1.18 -4.82 121.20 114.63 1p8a s ILE 72 Ca 0.00 -1.18 0.00 0.00 -1.41 0.00 0.00 60.65 58.06 1p8a s ILE 72 Cb 0.00 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.93 1p8a s ILE 72 CO 0.00 -0.59 0.00 0.35 -1.91 0.00 0.00 174.94 172.79 1p8a n THR 73 N 1.19 0.00 0.72 4.00 -2.24 -1.26 -4.97 114.28 111.72 1p8a n THR 73 Ca -0.21 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1p8a n THR 73 Cb 0.56 -0.37 0.38 0.00 -2.10 0.00 0.00 70.33 68.80 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1p8a n LYS 74 N -0.15 0.23 -0.23 -0.78 5.02 -1.26 -3.21 118.16 117.79 1p8a n LYS 74 Ca 0.00 0.13 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1p8a n LYS 74 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.61 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a h ALA 75 N 2.72 0.88 -1.19 7.82 0.00 -1.94 -0.79 119.26 126.77 1p8a h ALA 75 Ca 0.00 0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.27 1p8a h ALA 75 Cb 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1p8a h ALA 75 CO 0.00 0.04 0.83 0.38 0.00 0.00 0.00 179.25 180.50 1p8a h ASP 76 N 0.67 0.09 0.89 0.00 2.03 -1.96 1.10 116.42 119.25 1p8a h ASP 76 Ca 0.29 0.02 -0.07 0.00 -0.73 0.00 0.00 57.03 56.54 1p8a h ASP 76 Cb 0.19 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1p8a h ASP 76 CO -0.18 0.01 -0.36 -0.26 -1.03 0.00 0.00 179.24 177.42 1p8a h PHE 77 N 0.08 0.00 -0.76 4.15 0.04 -1.39 -3.26 116.94 115.79 1p8a h PHE 77 Ca 0.59 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.91 1p8a h PHE 77 Cb 2.17 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 39.91 1p8a h PHE 77 CO -0.00 0.36 -0.92 -1.13 -0.60 0.00 0.00 178.31 176.01 1p8a n SER 78 N -3.50 3.67 0.00 2.17 3.41 0.36 -3.99 113.62 115.74 1p8a n SER 78 Ca -0.00 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1p8a n SER 78 Cb 0.51 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1p8a n LYS 79 N -0.61 4.15 0.00 4.33 3.00 -0.00 -4.99 118.16 124.04 1p8a n LYS 79 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1p8a n LYS 79 Cb 0.87 -0.60 0.00 0.00 0.00 0.00 0.00 35.03 35.31 1p8a n LYS 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1p8a n PHE 80 N -0.99 0.00 0.00 5.64 3.72 -1.26 -5.03 117.46 119.54 1p8a n PHE 80 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1p8a n PHE 80 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1p8a n PHE 80 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1p8a n ASP 81 N 0.00 0.00 -4.27 4.37 -0.08 -1.25 -4.83 116.55 110.49 1p8a n ASP 81 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1p8a n ASP 81 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.35 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1p8a s VAL 82 N -1.01 1.55 -0.03 5.18 1.01 0.26 -0.55 120.40 126.80 1p8a s VAL 82 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1p8a s VAL 82 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1p8a s VAL 82 CO 0.00 -0.26 -0.09 -0.63 0.00 0.00 0.00 175.10 174.12 1p8a s ILE 83 N -1.71 0.83 -0.19 2.22 1.09 0.14 -0.39 121.20 123.19 1p8a s ILE 83 Ca 0.09 -0.36 -0.07 0.00 -1.10 0.00 0.00 60.65 59.20 1p8a s ILE 83 Cb -0.07 -0.75 -0.04 0.00 -1.06 0.00 0.00 42.46 40.53 1p8a s ILE 83 CO 0.04 0.27 0.06 0.00 -0.10 0.00 0.00 174.94 175.21 1p8a s ALA 84 N 0.36 3.33 -0.38 9.38 0.00 0.14 -0.92 121.76 133.67 1p8a s ALA 84 Ca -0.06 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1p8a s ALA 84 Cb -0.11 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.15 1p8a s ALA 84 CO 0.01 0.04 0.18 0.00 0.00 0.00 0.00 175.76 175.99 1p8a s ALA 85 N 0.63 3.14 0.00 0.00 0.00 -0.44 -1.44 121.76 123.66 1p8a s ALA 85 Ca 0.03 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1p8a s ALA 85 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1p8a s ALA 85 CO 0.02 -1.56 0.55 1.28 0.00 0.00 0.00 175.76 176.05 1p8a n LEU 86 N 4.79 0.00 0.00 0.00 4.32 -0.46 -0.50 117.00 125.15 1p8a n LEU 86 Ca -0.09 0.55 -0.22 0.00 -0.02 0.00 0.00 56.01 56.23 1p8a n LEU 86 Cb 0.43 -0.05 0.15 0.00 -1.62 0.00 0.00 43.42 42.33 1p8a n LEU 86 CO 0.34 -0.05 0.64 -0.67 -1.22 0.00 0.00 177.39 176.43 1p8a n ASP 87 N -0.91 0.19 0.06 -1.43 2.03 -1.26 -3.97 116.55 111.26 1p8a n ASP 87 Ca 0.00 -1.42 -0.23 0.00 0.52 0.00 0.00 54.79 53.66 1p8a n ASP 87 Cb 0.00 -0.74 -0.15 0.00 -0.72 0.00 0.00 41.12 39.52 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1p8a h GLN 88 N 0.00 0.37 -1.13 -0.67 4.20 -1.88 -3.34 115.11 112.66 1p8a h GLN 88 Ca -0.32 -0.63 0.41 0.00 0.06 0.00 0.00 58.65 58.17 1p8a h GLN 88 Cb 0.90 0.23 -0.15 0.00 0.30 0.00 0.00 27.48 28.76 1p8a h GLN 88 CO 0.23 1.30 0.67 0.66 -0.67 0.00 0.00 178.83 181.03 1p8a h SER 89 N 0.02 0.33 0.30 1.46 4.64 -1.97 0.29 113.55 118.61 1p8a h SER 89 Ca -0.33 0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1p8a h SER 89 Cb 2.03 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 64.31 1p8a h SER 89 CO 0.16 -0.28 -0.14 0.40 -0.87 0.00 0.00 176.83 176.09 1p8a h ILE 90 N 0.10 0.60 -0.17 0.95 5.03 -1.96 -0.62 117.51 121.45 1p8a h ILE 90 Ca 0.82 -0.76 0.05 0.00 -0.12 0.00 0.00 64.86 64.84 1p8a h ILE 90 Cb 2.28 0.94 -0.01 0.00 -3.03 0.00 0.00 36.82 37.00 1p8a h ILE 90 CO -0.60 0.13 0.13 0.25 -0.68 0.00 0.00 178.15 177.38 1p8a h LEU 91 N -0.88 0.00 0.13 1.44 5.85 -0.92 0.40 115.31 121.32 1p8a h LEU 91 Ca -0.04 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.43 1p8a h LEU 91 Cb 0.52 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.57 1p8a h LEU 91 CO 0.07 0.00 -1.06 -1.28 -0.34 0.00 0.00 178.44 175.82 1p8a h SER 92 N 0.00 0.71 0.00 1.25 0.87 -0.49 -3.01 113.55 112.88 1p8a h SER 92 Ca 0.08 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 1p8a h SER 92 Cb 0.34 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1p8a h SER 92 CO -0.00 1.51 -0.05 0.44 -0.53 0.00 0.00 176.83 178.20 1p8a h ASP 93 N 0.02 0.00 -0.54 6.23 5.19 -0.39 -2.33 116.42 124.60 1p8a h ASP 93 Ca -0.17 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.40 1p8a h ASP 93 Cb 1.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.27 1p8a h ASP 93 CO 0.20 0.52 0.62 -0.29 -3.12 0.00 0.00 179.24 177.17 1p8a h ILE 94 N -0.99 0.26 0.00 0.35 2.10 -0.43 0.63 117.51 119.44 1p8a h ILE 94 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.86 1p8a h ILE 94 Cb 0.05 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 1p8a h ILE 94 CO 0.00 0.00 -1.23 -3.20 -1.08 0.00 0.00 178.15 172.64 1p8a n ASN 95 N -3.55 0.83 0.00 2.19 2.85 -1.14 -3.54 115.26 112.90 1p8a n ASN 95 Ca 0.11 0.34 0.07 0.00 -0.11 0.00 0.00 54.58 54.99 1p8a n ASN 95 Cb 0.83 0.34 0.32 0.00 1.24 0.00 0.00 39.78 42.51 1p8a n ASN 95 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1p8a n SER 96 N -2.77 0.00 -0.07 1.20 2.88 0.22 -3.45 113.62 111.62 1p8a n SER 96 Ca -0.05 0.18 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1p8a n SER 96 Cb 0.70 -0.33 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 1p8a n SER 96 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1p8a n MET 97 N -1.33 0.32 -1.48 -1.46 2.81 -1.19 -5.00 117.12 109.80 1p8a n MET 97 Ca 0.06 0.14 -0.56 0.00 -1.81 0.00 0.00 57.70 55.53 1p8a n MET 97 Cb 0.12 -1.05 -0.07 0.00 -0.71 0.00 0.00 33.22 31.51 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1p8a n LYS 98 N -3.76 0.06 0.00 0.03 5.02 -1.22 -4.76 118.16 113.54 1p8a n LYS 98 Ca -0.27 0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1p8a n LYS 98 Cb 0.65 -1.40 0.60 0.00 -0.02 0.00 0.00 35.03 34.85 1p8a n LYS 98 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 99 N 1.41 0.68 -1.34 1.97 -0.04 -1.26 -4.83 135.00 131.59 1p8a n PRO 99 Ca 0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1p8a n PRO 99 Cb 0.13 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1p8a n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p8a n SER 100 N -0.97 -4.54 -3.12 3.54 2.88 -1.26 -4.91 113.62 105.25 1p8a n SER 100 Ca 0.15 0.29 -0.20 0.00 -1.33 0.00 0.00 58.87 57.77 1p8a n SER 100 Cb 0.07 -3.06 -0.04 0.00 -0.75 0.00 0.00 64.21 60.43 1p8a n SER 100 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p8a n ASN 101 N -0.07 -0.17 0.00 -3.46 3.02 -1.26 -5.11 115.26 108.21 1p8a n ASN 101 Ca -0.12 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1p8a n ASN 101 Cb 0.40 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p8a n ARG 103 N 0.00 2.00 -3.37 0.00 0.00 -1.26 -5.02 116.66 109.01 1p8a n ARG 103 Ca 0.00 -3.03 -0.14 0.00 -0.00 0.00 0.00 57.85 54.68 1p8a n ARG 103 Cb 0.00 -1.75 -0.04 0.00 -0.00 0.00 0.00 32.46 30.67 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 104 N -1.02 0.33 -2.81 2.89 0.00 -1.26 -4.67 120.51 113.99 1p8a n ALA 104 Ca 0.26 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 1p8a n ALA 104 Cb 0.90 0.81 -0.07 0.00 0.00 0.00 0.00 19.45 21.09 1p8a n ALA 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1p8a s LYS 105 N -2.88 0.88 -0.10 0.00 2.20 0.28 -4.95 119.74 115.16 1p8a s LYS 105 Ca 0.13 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1p8a s LYS 105 Cb 0.01 0.37 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 1p8a s LYS 105 CO 0.09 -0.30 -0.12 0.08 -0.36 0.00 0.00 175.35 174.74 1p8a s VAL 106 N -3.39 1.29 0.04 4.02 1.01 -1.26 0.28 120.40 122.39 1p8a s VAL 106 Ca 0.01 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1p8a s VAL 106 Cb 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1p8a s VAL 106 CO -0.09 0.40 -0.24 0.68 0.00 0.00 0.00 175.10 175.86 1p8a s VAL 107 N 1.15 1.91 0.12 2.92 -7.23 -0.09 -4.95 120.40 114.22 1p8a s VAL 107 Ca -0.04 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1p8a s VAL 107 Cb -0.14 -1.63 -0.06 0.00 0.56 0.00 0.00 36.38 35.10 1p8a s VAL 107 CO -0.03 0.32 1.06 -0.22 -0.31 0.00 0.00 175.10 175.92 1p8a s LEU 108 N -1.12 4.46 -0.19 1.32 1.98 -1.26 -1.32 118.68 122.54 1p8a s LEU 108 Ca 0.10 1.94 -0.06 0.00 -2.89 0.00 0.00 54.13 53.22 1p8a s LEU 108 Cb -0.09 -3.59 -0.03 0.00 0.66 0.00 0.00 46.19 43.13 1p8a s LEU 108 CO 0.02 -0.22 0.02 -0.36 -1.89 0.00 0.00 176.35 173.92 1p8a s PHE 109 N 0.19 3.12 0.31 5.38 0.40 0.34 -4.82 117.98 122.91 1p8a s PHE 109 Ca 0.51 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 1p8a s PHE 109 Cb -0.27 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1p8a s PHE 109 CO 0.32 -0.05 0.00 0.09 0.70 0.00 0.00 175.22 176.28 1p8a n ASN 110 N 3.88 -6.80 -4.24 1.36 4.13 -1.26 -4.45 115.26 107.88 1p8a n ASN 110 Ca -0.17 0.59 -0.30 0.00 1.68 0.00 0.00 54.58 56.39 1p8a n ASN 110 Cb 0.52 -3.54 0.19 0.00 -1.54 0.00 0.00 39.78 35.41 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1p8a s PRO 111 N -2.37 0.16 -0.39 3.52 0.04 -1.26 -4.86 135.00 129.85 1p8a s PRO 111 Ca 0.00 -0.06 -0.05 0.00 0.04 0.00 0.00 61.00 60.93 1p8a s PRO 111 Cb 0.00 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 1p8a s PRO 111 CO 0.00 -2.79 2.34 -0.35 0.04 0.00 0.00 177.00 176.24 1p8a n PRO 112 N -4.11 1.63 0.00 0.56 -0.04 -1.26 -3.30 135.00 128.49 1p8a n PRO 112 Ca 0.12 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1p8a n PRO 112 Cb 0.59 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N 3.25 0.00 0.00 3.54 3.02 -1.26 -4.91 115.26 118.90 1p8a n ASN 113 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1p8a n ASN 113 Cb 0.40 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 114 N 1.07 -0.61 3.78 7.41 0.00 -1.21 -4.97 105.19 110.66 1p8a n GLY 114 Ca 0.00 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1p8a n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p8a s VAL 115 N -2.34 3.30 0.11 1.61 -7.23 -1.26 -4.89 120.40 109.70 1p8a s VAL 115 Ca 0.00 0.65 -0.34 0.00 -1.81 0.00 0.00 61.98 60.48 1p8a s VAL 115 Cb 0.00 -3.18 -0.18 0.00 0.56 0.00 0.00 36.38 33.58 1p8a s VAL 115 CO 0.00 -0.33 0.90 -0.67 -0.31 0.00 0.00 175.10 174.69 1p8a n ASP 116 N -2.11 -0.10 -4.53 4.85 -0.08 -1.26 -4.52 116.55 108.79 1p8a n ASP 116 Ca 0.10 1.15 -0.42 0.00 -1.51 0.00 0.00 54.79 54.11 1p8a n ASP 116 Cb 0.52 -1.00 -0.08 0.00 2.34 0.00 0.00 41.12 42.89 1p8a n ASP 116 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1p8a s ASP 117 N -0.35 6.26 -0.93 1.67 -4.77 -1.26 -4.30 116.67 112.99 1p8a s ASP 117 Ca 0.77 -0.28 -0.06 0.00 -3.30 0.00 0.00 52.55 49.68 1p8a s ASP 117 Cb -1.05 -2.25 -0.08 0.00 -1.09 0.00 0.00 42.92 38.45 1p8a s ASP 117 CO 0.56 -0.52 2.40 -0.81 0.70 0.00 0.00 175.17 177.50 1p8a n PRO 118 N 5.70 2.34 -4.89 2.11 -0.04 -1.26 -4.45 135.00 134.50 1p8a n PRO 118 Ca -0.06 -1.50 -0.31 0.00 -0.04 0.00 0.00 63.50 61.59 1p8a n PRO 118 Cb 0.48 -2.43 -0.14 0.00 -0.04 0.00 0.00 33.50 31.38 1p8a n PRO 118 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1p8a s TYR 119 N 2.82 2.51 0.00 0.54 6.14 -1.26 -4.79 117.35 123.31 1p8a s TYR 119 Ca 0.48 -0.29 0.00 0.00 0.64 0.00 0.00 57.07 57.89 1p8a s TYR 119 Cb 0.14 -1.50 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1p8a s TYR 119 CO -0.03 0.15 0.00 0.98 0.64 0.00 0.00 175.55 177.29 1p8a n TYR 120 N 1.97 0.00 -3.10 4.97 9.36 -1.26 -4.62 117.16 124.48 1p8a n TYR 120 Ca -0.16 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.65 1p8a n TYR 120 Cb 0.52 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.17 1p8a n TYR 120 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1p8a s SER 121 N -1.48 6.53 -0.80 2.98 0.01 -1.26 -4.96 113.70 114.71 1p8a s SER 121 Ca 0.00 0.54 -0.26 0.00 1.31 0.00 0.00 55.95 57.54 1p8a s SER 121 Cb 0.00 -2.34 -0.13 0.00 0.21 0.00 0.00 66.02 63.76 1p8a s SER 121 CO 0.00 -0.45 2.38 -0.44 0.41 0.00 0.00 173.24 175.14 1p8a s SER 122 N 1.58 3.96 0.00 2.44 0.01 -1.26 -4.38 113.70 116.04 1p8a s SER 122 Ca 0.26 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1p8a s SER 122 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1p8a s SER 122 CO 0.11 -3.82 0.39 -0.67 0.41 0.00 0.00 173.24 169.65 1p8a n ASP 123 N 18.41 0.00 -0.00 2.44 2.03 -1.26 -4.84 116.55 133.32 1p8a n ASP 123 Ca 0.46 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1p8a n ASP 123 Cb 0.43 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p8a n GLY 124 N 0.00 -0.06 0.29 0.27 0.00 -1.26 -4.54 105.19 99.89 1p8a n GLY 124 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1p8a n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 125 N -1.65 -0.27 0.03 1.61 3.01 -1.26 0.30 117.46 119.21 1p8a n PHE 125 Ca -0.01 0.88 -0.12 0.00 1.01 0.00 0.00 57.45 59.21 1p8a n PHE 125 Cb 0.15 -0.58 -0.09 0.00 -0.01 0.00 0.00 39.48 38.95 1p8a n PHE 125 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1p8a h PRO 126 N 0.00 -0.13 0.62 -1.08 0.13 -1.97 -3.15 132.00 126.42 1p8a h PRO 126 Ca 0.13 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1p8a h PRO 126 Cb 0.30 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1p8a h PRO 126 CO -0.67 0.37 -0.39 1.15 -0.23 0.00 0.00 178.00 178.24 1p8a h THR 127 N -0.74 0.21 -0.99 1.56 2.02 -1.28 0.27 112.91 113.96 1p8a h THR 127 Ca -0.01 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.39 1p8a h THR 127 Cb 0.56 0.21 -0.19 0.00 -1.74 0.00 0.00 68.15 67.00 1p8a h THR 127 CO 0.02 0.00 -0.16 -0.03 0.37 0.00 0.00 175.52 175.73 1p8a h MET 128 N -0.95 0.00 0.40 6.66 -1.53 0.43 0.38 114.93 120.32 1p8a h MET 128 Ca -0.08 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1p8a h MET 128 Cb 0.78 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.83 1p8a h MET 128 CO 0.07 0.00 -0.19 0.35 0.14 0.00 0.00 176.91 177.28 1p8a h PHE 129 N 0.00 -0.49 -0.75 1.39 3.57 -1.43 0.77 116.94 120.00 1p8a h PHE 129 Ca 0.51 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 62.11 1p8a h PHE 129 Cb 0.89 0.16 -0.12 0.00 2.79 0.00 0.00 35.95 39.67 1p8a h PHE 129 CO -0.67 -0.31 -0.44 0.00 -2.23 0.00 0.00 178.31 174.66 1p8a h ALA 130 N -1.35 -0.23 -0.47 2.41 0.00 -0.02 0.20 119.26 119.80 1p8a h ALA 130 Ca -0.05 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1p8a h ALA 130 Cb 0.41 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1p8a h ALA 130 CO 0.09 -0.79 0.28 0.77 0.00 0.00 0.00 179.25 179.60 1p8a h SER 131 N -0.13 0.57 -0.75 0.00 0.02 -0.37 0.18 113.55 113.07 1p8a h SER 131 Ca 0.22 -0.06 0.17 0.00 -0.84 0.00 0.00 61.79 61.28 1p8a h SER 131 Cb 0.55 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.82 1p8a h SER 131 CO -0.80 0.46 0.02 0.40 -1.14 0.00 0.00 176.83 175.76 1p8a h ILE 132 N 0.63 0.36 0.05 3.27 1.08 0.19 0.39 117.51 123.48 1p8a h ILE 132 Ca 0.17 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1p8a h ILE 132 Cb -0.01 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1p8a h ILE 132 CO -0.03 0.02 -0.03 0.77 -0.69 0.00 0.00 178.15 178.19 1p8a h SER 133 N 0.12 -0.06 -1.46 1.72 4.64 -0.76 -3.15 113.55 114.59 1p8a h SER 133 Ca 0.41 -0.07 0.42 0.00 -0.47 0.00 0.00 61.79 62.09 1p8a h SER 133 Cb 0.72 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 1p8a h SER 133 CO -0.65 0.46 1.06 0.11 -0.87 0.00 0.00 176.83 176.95 1p8a h LYS 134 N -1.02 0.00 -0.01 4.77 1.79 -0.41 1.27 116.57 122.96 1p8a h LYS 134 Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 1p8a h LYS 134 Cb 0.13 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1p8a h LYS 134 CO 0.01 0.00 -0.78 0.93 -1.08 0.00 0.00 179.45 178.53 1p8a h GLU 135 N 0.00 0.12 -0.58 3.15 5.08 -0.29 -3.16 114.58 118.90 1p8a h GLU 135 Ca 0.69 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1p8a h GLU 135 Cb 2.81 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.09 1p8a h GLU 135 CO -0.01 0.83 0.00 -1.33 -1.00 0.00 0.00 179.01 177.51 1p8a n MET 136 N -3.69 2.71 -0.05 2.33 2.81 0.40 -4.17 117.12 117.46 1p8a n MET 136 Ca -0.02 -2.43 -0.17 0.00 -1.81 0.00 0.00 57.70 53.27 1p8a n MET 136 Cb 0.74 -1.47 -0.13 0.00 -0.71 0.00 0.00 33.22 31.65 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1p8a h LYS 137 N 3.63 0.06 -0.00 0.03 1.57 -0.47 -2.60 116.57 118.79 1p8a h LYS 137 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1p8a h LYS 137 Cb 0.91 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1p8a h LYS 137 CO 0.00 1.05 -0.05 -0.35 -0.57 0.00 0.00 179.45 179.53 1p8a n PRO 138 N -4.46 0.10 0.00 3.15 -0.04 -1.26 -3.39 135.00 129.11 1p8a n PRO 138 Ca -0.16 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1p8a n PRO 138 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1p8a n PRO 138 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1p8a n PHE 139 N -1.44 0.00 -0.06 0.54 7.35 -1.25 -3.89 117.46 118.71 1p8a n PHE 139 Ca 0.08 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.00 1p8a n PHE 139 Cb 0.32 0.00 0.49 0.00 0.35 0.00 0.00 39.48 40.65 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1p8a h LEU 140 N 0.00 0.00 0.00 -2.13 5.85 -1.69 2.09 115.31 119.43 1p8a h LEU 140 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1p8a h LEU 140 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1p8a h LEU 140 CO 0.00 0.00 -1.42 0.74 -0.34 0.00 0.00 178.44 177.42 1p8a h THR 141 N 0.00 1.02 0.00 1.05 2.02 -1.62 2.08 112.91 117.46 1p8a h THR 141 Ca 0.34 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1p8a h THR 141 Cb 2.26 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 71.14 1p8a h THR 141 CO -0.00 0.58 -1.13 -0.62 0.37 0.00 0.00 175.52 174.72 1p8a n GLU 142 N -3.11 1.30 -0.72 6.66 -0.58 0.44 -3.45 120.64 121.19 1p8a n GLU 142 Ca -0.11 -0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.49 1p8a n GLU 142 Cb 0.98 -1.30 0.02 0.00 -0.57 0.00 0.00 31.44 30.57 1p8a n GLU 142 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1p8a n HIS 143 N -1.64 0.80 -3.42 -0.32 -0.00 0.60 -4.73 115.22 106.51 1p8a n HIS 143 Ca 0.01 -1.51 -0.24 0.00 0.46 0.00 0.00 57.72 56.44 1p8a n HIS 143 Cb 0.31 -0.76 0.05 0.00 -0.12 0.00 0.00 29.99 29.48 1p8a n HIS 143 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p8a n GLY 144 N 0.93 -0.53 0.00 1.57 0.00 -1.26 -4.83 105.19 101.06 1p8a n GLY 144 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1p8a n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p8a n LEU 145 N -4.58 0.15 0.00 0.99 4.77 -1.06 -2.91 117.00 114.36 1p8a n LEU 145 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1p8a n LEU 145 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1p8a n LEU 145 CO 0.59 0.02 0.00 -0.38 -1.33 0.00 0.00 177.39 176.30