#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a n ALA 2 N 0.00 6.33 -2.51 0.00 0.00 -1.26 -4.59 120.51 118.48 1p8a n ALA 2 Ca 0.00 -4.02 -0.25 0.00 0.00 0.00 0.00 53.44 49.17 1p8a n ALA 2 Cb 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p8a s GLU 3 N -3.97 1.82 0.37 0.00 8.01 -1.26 -5.05 118.70 118.61 1p8a s GLU 3 Ca 0.54 -1.53 -0.16 0.00 0.01 0.00 0.00 54.97 53.83 1p8a s GLU 3 Cb 0.45 -1.95 -0.09 0.00 -4.31 0.00 0.00 34.13 28.23 1p8a s GLU 3 CO -0.31 0.38 0.80 -1.59 0.01 0.00 0.00 175.26 174.55 1p8a s LYS 4 N -3.14 4.03 0.00 1.61 0.00 -1.26 -4.61 119.74 116.37 1p8a s LYS 4 Ca 0.26 0.77 0.00 0.00 0.00 0.00 0.00 55.97 57.00 1p8a s LYS 4 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 37.83 35.41 1p8a s LYS 4 CO 0.14 0.07 0.00 1.63 0.00 0.00 0.00 175.35 177.19 1p8a n LYS 5 N -0.60 1.10 -4.28 1.78 5.02 -1.26 -5.01 118.16 114.91 1p8a n LYS 5 Ca 0.04 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 1p8a n LYS 5 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.39 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -2.00 0.73 -0.12 7.82 0.00 -1.26 -0.37 121.76 126.55 1p8a s ALA 6 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1p8a s ALA 6 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1p8a s ALA 6 CO 0.00 0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.77 1p8a s VAL 7 N 0.35 1.63 -0.65 0.00 1.01 -0.31 -1.01 120.40 121.43 1p8a s VAL 7 Ca -0.05 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1p8a s VAL 7 Cb -0.09 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1p8a s VAL 7 CO 0.00 0.47 1.20 -0.22 0.00 0.00 0.00 175.10 176.55 1p8a s LEU 8 N 1.08 3.42 -0.63 3.92 2.96 0.12 -0.59 118.68 128.95 1p8a s LEU 8 Ca -0.04 -0.19 -0.25 0.00 -0.22 0.00 0.00 54.13 53.43 1p8a s LEU 8 Cb -0.14 -2.87 0.05 0.00 0.50 0.00 0.00 46.19 43.72 1p8a s LEU 8 CO -0.04 -1.61 1.06 -0.36 -1.32 0.00 0.00 176.35 174.08 1p8a s PHE 9 N 5.16 2.62 0.31 5.38 0.08 0.15 0.31 117.98 131.99 1p8a s PHE 9 Ca 0.38 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.34 1p8a s PHE 9 Cb -0.08 -4.32 -0.06 0.00 -0.57 0.00 0.00 43.02 37.99 1p8a s PHE 9 CO 0.20 -1.63 0.06 0.08 -0.10 0.00 0.00 175.22 173.83 1p8a s VAL 10 N 4.51 1.06 0.21 -0.44 1.01 -0.28 -1.28 120.40 125.18 1p8a s VAL 10 Ca 0.31 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1p8a s VAL 10 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1p8a s VAL 10 CO 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1p8a n LEU 12 N -2.92 0.00 0.00 0.00 4.77 -1.26 -4.47 117.00 113.11 1p8a n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 12 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 12 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1p8a n GLY 13 N 0.00 3.15 3.15 -0.72 0.00 -1.26 -4.45 105.19 105.05 1p8a n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.45 -0.12 1.61 4.05 -1.26 -4.63 115.26 113.46 1p8a n ASN 14 Ca 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.86 1p8a n ASN 14 Cb 0.00 -1.43 -0.11 0.00 1.23 0.00 0.00 39.78 39.47 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1p8a n ILE 15 N -2.17 1.40 -4.38 -1.44 5.41 -1.26 -4.33 119.36 112.59 1p8a n ILE 15 Ca 0.00 -0.54 -0.26 0.00 1.00 0.00 0.00 62.75 62.95 1p8a n ILE 15 Cb 0.08 -1.35 -0.12 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.46 -3.40 0.00 0.00 1.74 -1.26 -4.46 116.66 109.74 1p8a n ARG 17 Ca -0.14 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1p8a n ARG 17 Cb 0.56 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1p8a n SER 18 N -3.03 0.00 0.06 0.55 7.64 -1.26 -3.58 113.62 114.00 1p8a n SER 18 Ca -0.17 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.81 1p8a n SER 18 Cb 0.64 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.26 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 0.00 0.10 0.01 1.43 -0.04 -1.26 -2.29 135.00 132.95 1p8a n PRO 19 Ca 0.00 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1p8a n PRO 19 Cb 0.00 -1.68 0.05 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.64 3.91 -0.15 0.55 0.00 -1.26 -4.19 120.51 117.74 1p8a n ALA 20 Ca 0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 1p8a n ALA 20 Cb 0.24 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.56 -0.15 -0.35 0.00 5.08 -1.73 0.67 114.58 118.67 1p8a h GLU 22 Ca 0.13 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1p8a h GLU 22 Cb 0.33 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1p8a h GLU 22 CO 0.00 -0.10 0.10 0.78 -1.00 0.00 0.00 179.01 178.79 1p8a h GLY 23 N -0.16 0.59 -0.11 -3.84 0.00 -1.76 -1.10 103.07 96.70 1p8a h GLY 23 Ca 0.22 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.28 1p8a h GLY 23 CO -0.58 0.34 -0.23 -2.22 0.00 0.00 0.00 176.54 173.85 1p8a h ILE 24 N 0.41 0.34 -0.43 2.60 5.03 0.09 0.36 117.51 125.93 1p8a h ILE 24 Ca 0.11 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.81 1p8a h ILE 24 Cb 0.27 0.34 -0.02 0.00 -3.03 0.00 0.00 36.82 34.39 1p8a h ILE 24 CO -0.00 0.00 0.09 0.00 -0.68 0.00 0.00 178.15 177.56 1p8a h ARG 26 N 0.56 0.48 0.00 0.00 3.08 0.14 0.37 114.38 119.02 1p8a h ARG 26 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1p8a h ARG 26 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1p8a h ARG 26 CO 0.00 0.32 -0.51 -0.44 -1.07 0.00 0.00 179.97 178.27 1p8a h ASP 27 N 0.50 0.00 0.81 7.04 3.32 -0.78 0.46 116.42 127.77 1p8a h ASP 27 Ca 0.36 -0.11 -0.24 0.00 0.02 0.00 0.00 57.03 57.07 1p8a h ASP 27 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1p8a h ASP 27 CO -0.33 0.05 -1.25 0.24 -1.72 0.00 0.00 179.24 176.24 1p8a h MET 28 N 0.00 0.02 0.00 3.56 2.86 0.16 -3.42 114.93 118.11 1p8a h MET 28 Ca 0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1p8a h MET 28 Cb 0.83 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 1p8a h MET 28 CO 0.00 0.85 -0.12 1.33 1.06 0.00 0.00 176.91 180.03 1p8a n VAL 29 N -3.27 0.00 -3.09 -2.22 0.24 0.11 -4.98 118.33 105.13 1p8a n VAL 29 Ca -0.06 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.06 1p8a n VAL 29 Cb 0.98 0.22 0.04 0.00 -1.47 0.00 0.00 33.84 33.61 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p8a n GLY 30 N 0.00 -0.24 2.22 7.63 0.00 0.16 -4.07 105.19 110.89 1p8a n GLY 30 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.80 -5.40 -1.75 1.61 -0.08 -0.86 -4.82 116.55 103.45 1p8a n ASP 31 Ca -0.05 0.58 -0.14 0.00 -1.51 0.00 0.00 54.79 53.68 1p8a n ASP 31 Cb 0.57 -3.48 0.05 0.00 2.34 0.00 0.00 41.12 40.61 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 0.03 1.68 0.00 -0.67 4.76 -1.26 -4.97 118.16 117.73 1p8a n LYS 32 Ca 0.03 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.06 1p8a n LYS 32 Cb 0.12 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1p8a n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1p8a n LEU 33 N 0.17 0.00 -1.09 -0.35 0.00 -1.26 -4.75 117.00 109.72 1p8a n LEU 33 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.29 1p8a n LEU 33 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.16 1p8a n LEU 33 CO 0.32 0.00 0.00 2.30 0.00 0.00 0.00 177.39 180.01 1p8a n ILE 34 N 0.00 0.00 -3.23 1.96 -6.64 0.50 -4.78 119.36 107.17 1p8a n ILE 34 Ca 0.00 0.00 -0.46 0.00 -1.77 0.00 0.00 62.75 60.52 1p8a n ILE 34 Cb 0.00 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.18 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1p8a s ILE 35 N -0.97 5.37 -0.66 7.28 1.01 -1.26 -1.16 121.20 130.82 1p8a s ILE 35 Ca 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 60.65 58.50 1p8a s ILE 35 Cb 0.00 -4.54 0.17 0.00 0.01 0.00 0.00 42.46 38.10 1p8a s ILE 35 CO 0.00 -1.15 0.49 0.47 0.00 0.00 0.00 174.94 174.75 1p8a n ASP 36 N 4.68 2.57 -4.72 3.58 8.00 0.24 -4.91 116.55 125.99 1p8a n ASP 36 Ca 0.15 -3.11 -0.42 0.00 0.71 0.00 0.00 54.79 52.13 1p8a n ASP 36 Cb 0.47 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 1p8a n ASP 36 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1p8a s SER 37 N -1.32 6.73 0.23 -2.24 1.04 -1.26 0.32 113.70 117.20 1p8a s SER 37 Ca 0.27 2.46 0.01 0.00 0.48 0.00 0.00 55.95 59.17 1p8a s SER 37 Cb -0.02 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 1p8a s SER 37 CO -0.17 -0.70 0.28 0.00 0.98 0.00 0.00 173.24 173.63 1p8a n ALA 38 N 3.66 0.01 -3.19 5.32 0.00 -0.41 -4.85 120.51 121.06 1p8a n ALA 38 Ca 0.11 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 1p8a n ALA 38 Cb 0.41 0.92 -0.09 0.00 0.00 0.00 0.00 19.45 20.69 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a s ALA 39 N -2.54 -0.64 0.00 0.00 0.00 -1.26 -4.17 121.76 113.15 1p8a s ALA 39 Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1p8a s ALA 39 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1p8a s ALA 39 CO 0.15 -0.25 0.00 0.25 0.00 0.00 0.00 175.76 175.91 1p8a n THR 40 N 1.30 0.00 -3.37 0.00 -2.24 -1.26 -1.79 114.28 106.93 1p8a n THR 40 Ca -0.22 0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1p8a n THR 40 Cb 0.56 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1p8a n THR 40 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1p8a n SER 41 N -0.95 5.15 -4.55 3.42 2.88 -1.26 -4.46 113.62 113.84 1p8a n SER 41 Ca 0.00 -3.20 -0.30 0.00 -1.33 0.00 0.00 58.87 54.04 1p8a n SER 41 Cb 0.00 -1.18 -0.05 0.00 -0.75 0.00 0.00 64.21 62.23 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p8a n GLY 42 N 2.05 0.07 0.00 0.46 0.00 -1.26 -4.52 105.19 101.98 1p8a n GLY 42 Ca 0.24 0.58 0.02 0.00 0.00 0.00 0.00 46.02 46.86 1p8a n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 43 N 16.38 0.00 -3.93 1.61 3.01 -1.26 -4.83 117.46 128.44 1p8a n PHE 43 Ca 0.41 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.54 1p8a n PHE 43 Cb 0.50 -0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.83 1p8a n PHE 43 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1p8a s HIS 44 N -1.38 3.64 0.10 1.38 3.76 -1.26 -5.09 115.29 116.44 1p8a s HIS 44 Ca 0.01 -2.85 0.09 0.00 -0.15 0.00 0.00 55.06 52.17 1p8a s HIS 44 Cb 0.03 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 1p8a s HIS 44 CO 0.15 -0.93 -0.23 0.08 -0.85 0.00 0.00 174.74 172.97 1p8a s VAL 45 N 0.80 1.85 -0.57 -0.90 1.01 -1.26 -4.66 120.40 116.67 1p8a s VAL 45 Ca 0.11 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1p8a s VAL 45 Cb -0.21 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1p8a s VAL 45 CO -0.06 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1p8a n GLY 46 N 1.20 -0.08 0.07 4.51 0.00 -1.26 -4.65 105.19 104.99 1p8a n GLY 46 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.16 1.00 -4.56 1.61 -0.00 -1.26 -5.08 117.38 106.93 1p8a n GLN 47 Ca -0.07 -1.04 -0.32 0.00 -0.00 0.00 0.00 57.00 55.58 1p8a n GLN 47 Cb 0.41 -0.73 -0.06 0.00 -0.00 0.00 0.00 30.24 29.86 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1p8a s SER 48 N -0.67 4.26 -0.01 2.61 0.15 -1.26 -5.07 113.70 113.70 1p8a s SER 48 Ca 0.03 -1.58 -0.22 0.00 0.70 0.00 0.00 55.95 54.88 1p8a s SER 48 Cb 0.02 0.56 -0.13 0.00 -1.71 0.00 0.00 66.02 64.76 1p8a s SER 48 CO 0.00 -0.94 0.95 1.55 1.20 0.00 0.00 173.24 176.00 1p8a h PRO 49 N 1.18 -0.55 0.00 5.44 0.13 -1.99 -3.45 132.00 132.77 1p8a h PRO 49 Ca -0.42 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1p8a h PRO 49 Cb 1.32 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1p8a h PRO 49 CO 0.70 -0.26 0.00 -0.25 -0.23 0.00 0.00 178.00 177.96 1p8a n ASP 50 N -5.17 0.00 0.23 1.44 8.00 -1.26 -4.05 116.55 115.74 1p8a n ASP 50 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.53 1p8a n ASP 50 Cb 0.28 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.40 0.25 -3.53 2.02 -1.97 -1.24 112.91 108.84 1p8a h THR 51 Ca 0.00 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1p8a h THR 51 Cb 0.00 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1p8a h THR 51 CO 0.00 0.16 -0.12 -0.09 0.37 0.00 0.00 175.52 175.84 1p8a h ARG 52 N 0.00 -0.32 -0.14 6.66 9.65 -1.97 0.14 114.38 128.40 1p8a h ARG 52 Ca -0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1p8a h ARG 52 Cb 0.72 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 1p8a h ARG 52 CO 0.02 -0.06 0.08 1.03 2.80 0.00 0.00 179.97 183.85 1p8a h SER 53 N -1.02 0.13 -0.92 -3.80 0.87 -1.90 -1.29 113.55 105.63 1p8a h SER 53 Ca -0.03 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1p8a h SER 53 Cb 0.42 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1p8a h SER 53 CO 0.06 0.10 0.55 -0.61 -0.53 0.00 0.00 176.83 176.39 1p8a h GLN 54 N 0.17 1.25 0.33 2.24 5.75 -1.33 -0.41 115.11 123.11 1p8a h GLN 54 Ca 0.05 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1p8a h GLN 54 Cb -0.01 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 1p8a h GLN 54 CO -0.02 0.88 -0.31 -0.22 -2.65 0.00 0.00 178.83 176.52 1p8a h LYS 55 N 1.27 -0.60 -0.88 1.69 1.63 -0.05 -0.72 116.57 118.90 1p8a h LYS 55 Ca 0.33 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.37 1p8a h LYS 55 Cb -0.04 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1p8a h LYS 55 CO -0.06 -0.40 0.59 -0.24 -3.45 0.00 0.00 179.45 175.89 1p8a h VAL 56 N -0.62 0.69 -0.16 2.00 3.04 -1.14 0.59 116.25 120.65 1p8a h VAL 56 Ca -0.04 -0.14 0.04 0.00 -1.01 0.00 0.00 66.70 65.55 1p8a h VAL 56 Cb 0.54 0.26 -0.04 0.00 -2.01 0.00 0.00 31.29 30.03 1p8a h VAL 56 CO -0.03 0.07 -0.08 0.00 -1.01 0.00 0.00 177.57 176.52 1p8a h LYS 58 N -0.07 0.18 0.00 0.00 1.79 0.44 1.36 116.57 120.27 1p8a h LYS 58 Ca 0.09 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1p8a h LYS 58 Cb 0.21 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1p8a h LYS 58 CO -0.21 0.53 0.00 0.45 -1.08 0.00 0.00 179.45 179.14 1p8a n SER 59 N -4.07 0.21 -0.05 0.86 2.88 -0.31 -3.66 113.62 109.49 1p8a n SER 59 Ca -0.01 0.52 -0.06 0.00 -1.33 0.00 0.00 58.87 57.99 1p8a n SER 59 Cb 0.44 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.70 3.01 0.00 -3.46 4.13 0.19 -5.04 115.26 112.38 1p8a n ASN 60 Ca 0.06 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1p8a n ASN 60 Cb 0.33 0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p8a n GLY 61 N 2.71 0.05 3.56 7.41 0.00 0.43 -5.07 105.19 114.28 1p8a n GLY 61 Ca -0.17 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 -0.24 1.61 1.01 0.10 -4.56 120.40 118.32 1p8a s VAL 62 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1p8a s VAL 62 Cb 0.00 -0.93 0.10 0.00 0.00 0.00 0.00 36.38 35.54 1p8a s VAL 62 CO 0.00 -0.01 0.17 1.51 0.00 0.00 0.00 175.10 176.78 1p8a s ASP 63 N 0.00 2.41 0.00 3.32 1.47 -1.26 -3.58 116.67 119.03 1p8a s ASP 63 Ca -0.03 -0.78 0.00 0.00 1.18 0.00 0.00 52.55 52.92 1p8a s ASP 63 Cb -0.04 0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.55 1p8a s ASP 63 CO 0.03 -0.38 0.00 2.30 0.68 0.00 0.00 175.17 177.79 1p8a n ILE 64 N 5.28 0.00 0.00 2.11 -5.35 -1.26 -4.54 119.36 115.60 1p8a n ILE 64 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1p8a n ILE 64 Cb 0.46 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1p8a n SER 65 N 0.00 0.00 -3.74 7.28 3.41 -1.26 -5.11 113.62 114.21 1p8a n SER 65 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1p8a n SER 65 Cb 0.00 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 1p8a n SER 65 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1p8a s LYS 66 N -1.54 0.71 -0.14 4.33 3.01 -1.26 -5.15 119.74 119.70 1p8a s LYS 66 Ca 0.00 -0.16 -0.01 0.00 -1.01 0.00 0.00 55.97 54.80 1p8a s LYS 66 Cb 0.00 0.32 0.04 0.00 -1.01 0.00 0.00 37.83 37.17 1p8a s LYS 66 CO 0.00 -0.20 -0.05 -0.65 0.51 0.00 0.00 175.35 174.96 1p8a s GLN 67 N -1.34 1.32 -0.19 1.68 -0.21 -1.26 -5.11 119.66 114.56 1p8a s GLN 67 Ca -0.13 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.81 1p8a s GLN 67 Cb -0.05 -1.77 0.08 0.00 1.00 0.00 0.00 33.01 32.27 1p8a s GLN 67 CO 0.05 -0.38 0.42 -0.98 -2.12 0.00 0.00 175.29 172.27 1p8a s ARG 68 N 1.71 0.35 -0.07 2.91 1.70 -1.26 -4.98 118.95 119.31 1p8a s ARG 68 Ca 0.02 0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 55.93 1p8a s ARG 68 Cb -0.14 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.39 1p8a s ARG 68 CO -0.08 -0.22 1.45 0.00 -1.08 0.00 0.00 175.30 175.38 1p8a s ALA 69 N 2.18 3.62 -0.03 7.88 0.00 -1.26 -4.85 121.76 129.30 1p8a s ALA 69 Ca -0.04 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1p8a s ALA 69 Cb -0.11 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 19.42 1p8a s ALA 69 CO -0.13 -1.16 0.88 2.89 0.00 0.00 0.00 175.76 178.25 1p8a n ARG 70 N 6.34 0.79 -1.18 0.00 0.00 -1.26 -4.86 116.66 116.49 1p8a n ARG 70 Ca 0.15 -1.26 0.13 0.00 -0.00 0.00 0.00 57.85 56.87 1p8a n ARG 70 Cb 0.44 -0.79 -0.05 0.00 -0.00 0.00 0.00 32.46 32.06 1p8a n ARG 70 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1p8a n GLN 71 N -0.38 -2.27 -2.71 2.89 7.27 -1.26 -4.88 117.38 116.05 1p8a n GLN 71 Ca 0.03 1.72 -0.21 0.00 0.07 0.00 0.00 57.00 58.61 1p8a n GLN 71 Cb 0.55 -2.85 0.05 0.00 2.41 0.00 0.00 30.24 30.40 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 -3.41 2.55 -0.55 1.69 2.07 -0.74 -4.60 121.20 118.22 1p8a s ILE 72 Ca 0.00 -0.72 0.14 0.00 -1.41 0.00 0.00 60.65 58.66 1p8a s ILE 72 Cb 0.00 -2.83 0.47 0.00 0.13 0.00 0.00 42.46 40.23 1p8a s ILE 72 CO 0.00 0.00 1.38 0.41 -1.91 0.00 0.00 174.94 174.82 1p8a n THR 73 N -2.37 1.77 -0.84 4.00 -1.04 -1.26 -4.92 114.28 109.61 1p8a n THR 73 Ca 0.10 -1.47 0.00 0.00 -2.04 0.00 0.00 64.05 60.64 1p8a n THR 73 Cb 0.60 0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1p8a n LYS 74 N 0.05 -0.74 0.07 -2.82 4.76 -1.26 -4.78 118.16 113.44 1p8a n LYS 74 Ca 0.18 0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.84 1p8a n LYS 74 Cb 0.72 -4.14 -0.04 0.00 -1.84 0.00 0.00 35.03 29.73 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1p8a h ALA 75 N 0.00 0.63 -1.57 7.82 0.00 -1.98 -3.34 119.26 120.82 1p8a h ALA 75 Ca 0.00 -0.55 0.46 0.00 0.00 0.00 0.00 54.91 54.82 1p8a h ALA 75 Cb 0.37 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1p8a h ALA 75 CO 0.00 0.62 1.17 0.38 0.00 0.00 0.00 179.25 181.42 1p8a h ASP 76 N 0.00 0.00 0.72 0.00 2.03 -1.95 2.30 116.42 119.52 1p8a h ASP 76 Ca -0.09 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.12 1p8a h ASP 76 Cb 1.39 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.88 1p8a h ASP 76 CO 0.04 0.00 -0.40 -0.26 -1.03 0.00 0.00 179.24 177.58 1p8a h PHE 77 N 0.00 0.00 0.00 4.15 0.04 -1.93 -2.96 116.94 116.24 1p8a h PHE 77 Ca 0.75 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.52 1p8a h PHE 77 Cb 3.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.22 1p8a h PHE 77 CO 0.00 0.40 0.00 0.45 -0.60 0.00 0.00 178.31 178.56 1p8a n SER 78 N -3.65 1.62 -0.08 2.17 2.88 0.67 -4.08 113.62 113.15 1p8a n SER 78 Ca -0.01 -1.78 -0.10 0.00 -1.33 0.00 0.00 58.87 55.66 1p8a n SER 78 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1p8a n LYS 79 N -0.39 0.88 0.00 -1.46 3.00 0.43 -5.04 118.16 115.58 1p8a n LYS 79 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1p8a n LYS 79 Cb 0.27 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 33.97 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 -2.82 0.00 0.00 5.64 3.72 -1.12 -5.01 117.46 117.87 1p8a n PHE 80 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1p8a n PHE 80 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1p8a n PHE 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1p8a n ASP 81 N 0.00 0.00 -4.32 4.37 9.92 -1.20 -4.85 116.55 120.47 1p8a n ASP 81 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 1p8a n ASP 81 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1p8a s VAL 82 N -1.00 1.83 -0.16 2.53 1.01 -0.18 -0.85 120.40 123.58 1p8a s VAL 82 Ca 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 1p8a s VAL 82 Cb 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1p8a s VAL 82 CO 0.00 -0.12 -0.04 -0.63 0.00 0.00 0.00 175.10 174.30 1p8a s ILE 83 N -1.44 1.03 -0.10 2.22 1.01 0.39 0.11 121.20 124.41 1p8a s ILE 83 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1p8a s ILE 83 Cb -0.09 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1p8a s ILE 83 CO 0.05 0.10 0.21 0.00 0.00 0.00 0.00 174.94 175.31 1p8a s ALA 84 N 1.66 3.80 0.00 9.38 0.00 0.15 0.26 121.76 137.01 1p8a s ALA 84 Ca 0.01 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1p8a s ALA 84 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1p8a s ALA 84 CO -0.08 0.51 -0.26 0.00 0.00 0.00 0.00 175.76 175.93 1p8a s ALA 85 N -0.80 2.20 -2.41 0.00 0.00 -0.19 -1.13 121.76 119.41 1p8a s ALA 85 Ca 0.17 -1.17 0.22 0.00 0.00 0.00 0.00 51.96 51.17 1p8a s ALA 85 Cb -0.13 -0.53 0.56 0.00 0.00 0.00 0.00 23.12 23.03 1p8a s ALA 85 CO 0.06 0.53 1.46 -0.11 0.00 0.00 0.00 175.76 177.70 1p8a n LEU 86 N 2.21 2.60 0.00 0.00 7.94 0.21 -0.93 117.00 129.02 1p8a n LEU 86 Ca -0.16 -1.09 0.00 0.00 -1.11 0.00 0.00 56.01 53.65 1p8a n LEU 86 Cb 0.51 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1p8a n LEU 86 CO 0.23 0.55 0.00 -0.67 -1.11 0.00 0.00 177.39 176.39 1p8a n ASP 87 N 0.94 0.00 -0.01 1.96 2.03 -1.26 -4.53 116.55 115.67 1p8a n ASP 87 Ca 0.18 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.46 1p8a n ASP 87 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1p8a n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p8a n GLN 88 N 0.00 0.07 -0.39 -0.67 6.02 -1.26 -4.62 117.38 116.53 1p8a n GLN 88 Ca 0.00 0.02 0.39 0.00 -0.01 0.00 0.00 57.00 57.40 1p8a n GLN 88 Cb 0.00 -0.93 0.72 0.00 1.02 0.00 0.00 30.24 31.05 1p8a n GLN 88 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1p8a h SER 89 N -0.03 0.00 -0.04 1.08 0.87 -1.98 0.36 113.55 113.81 1p8a h SER 89 Ca -0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1p8a h SER 89 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1p8a h SER 89 CO -0.02 0.00 -0.06 0.40 -0.53 0.00 0.00 176.83 176.62 1p8a h ILE 90 N 0.00 1.42 0.00 2.23 5.03 -1.82 -0.55 117.51 123.82 1p8a h ILE 90 Ca 0.64 -1.33 -0.07 0.00 -0.12 0.00 0.00 64.86 63.98 1p8a h ILE 90 Cb 2.77 2.22 -0.01 0.00 -3.03 0.00 0.00 36.82 38.77 1p8a h ILE 90 CO -0.01 0.36 -0.32 0.25 -0.68 0.00 0.00 178.15 177.76 1p8a h LEU 91 N -0.39 0.00 0.15 1.44 5.85 -0.61 0.39 115.31 122.14 1p8a h LEU 91 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.43 1p8a h LEU 91 Cb 0.62 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.68 1p8a h LEU 91 CO 0.01 0.32 -1.26 -1.28 -0.34 0.00 0.00 178.44 175.89 1p8a h SER 92 N 0.00 0.84 0.00 1.25 0.87 -1.07 -3.20 113.55 112.23 1p8a h SER 92 Ca -0.00 -0.86 -0.08 0.00 -1.23 0.00 0.00 61.79 59.62 1p8a h SER 92 Cb 0.67 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1p8a h SER 92 CO 0.04 1.62 -0.46 0.44 -0.53 0.00 0.00 176.83 177.94 1p8a h ASP 93 N 0.18 0.00 -0.96 6.23 3.32 -0.97 -3.35 116.42 120.87 1p8a h ASP 93 Ca -0.20 -0.77 0.28 0.00 0.02 0.00 0.00 57.03 56.36 1p8a h ASP 93 Cb 1.95 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 41.35 1p8a h ASP 93 CO 0.24 1.15 0.46 -0.29 -1.72 0.00 0.00 179.24 179.08 1p8a h ILE 94 N -1.00 0.33 0.00 0.35 2.10 -0.39 2.07 117.51 120.97 1p8a h ILE 94 Ca -0.12 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1p8a h ILE 94 Cb 1.06 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 1p8a h ILE 94 CO -0.08 0.06 0.00 -3.20 -1.08 0.00 0.00 178.15 173.85 1p8a n ASN 95 N -5.09 0.00 0.10 2.19 2.85 -1.21 -1.57 115.26 112.54 1p8a n ASN 95 Ca 0.28 0.32 0.06 0.00 -0.11 0.00 0.00 54.58 55.13 1p8a n ASN 95 Cb 0.86 -0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1p8a n ASN 95 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1p8a h SER 96 N 0.00 0.00 0.00 1.20 0.02 0.32 -3.37 113.55 111.72 1p8a h SER 96 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1p8a h SER 96 Cb 0.13 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1p8a h SER 96 CO 0.00 0.29 -2.08 1.15 -1.14 0.00 0.00 176.83 175.04 1p8a n MET 97 N -2.91 0.96 -1.68 3.45 0.00 -0.75 -4.97 117.12 111.23 1p8a n MET 97 Ca -0.02 0.06 -0.63 0.00 0.00 0.00 0.00 57.70 57.11 1p8a n MET 97 Cb 0.68 -1.39 -0.09 0.00 0.00 0.00 0.00 33.22 32.42 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p8a n LYS 98 N -2.84 0.32 -0.31 3.17 5.02 -0.61 -4.91 118.16 118.00 1p8a n LYS 98 Ca -0.30 0.12 -0.07 0.00 -2.02 0.00 0.00 58.31 56.04 1p8a n LYS 98 Cb 0.93 -1.67 0.06 0.00 -0.02 0.00 0.00 35.03 34.33 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 3.66 -1.15 -0.55 1.97 -0.04 -1.26 -4.96 135.00 132.68 1p8a n PRO 99 Ca 0.27 -0.44 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1p8a n PRO 99 Cb 0.03 -0.37 0.35 0.00 -0.04 0.00 0.00 33.50 33.47 1p8a n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1p8a n SER 100 N -3.37 4.58 -3.53 3.54 7.64 -1.26 -4.73 113.62 116.49 1p8a n SER 100 Ca 0.04 -2.32 -0.29 0.00 1.01 0.00 0.00 58.87 57.31 1p8a n SER 100 Cb 0.14 -0.56 -0.13 0.00 -1.01 0.00 0.00 64.21 62.65 1p8a n SER 100 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1p8a s ASN 101 N -0.93 3.22 0.33 6.43 0.01 -1.26 -5.11 114.94 117.62 1p8a s ASN 101 Ca 0.51 -2.16 -0.05 0.00 -0.71 0.00 0.00 52.86 50.45 1p8a s ASN 101 Cb 0.31 -0.55 0.01 0.00 0.41 0.00 0.00 41.25 41.43 1p8a s ASN 101 CO 0.28 -0.32 0.50 0.00 -1.51 0.00 0.00 177.10 176.05 1p8a n ARG 103 N -0.53 0.05 -5.15 0.00 3.00 -1.26 -5.08 116.66 107.69 1p8a n ARG 103 Ca -0.00 -1.75 -0.32 0.00 -0.01 0.00 0.00 57.85 55.77 1p8a n ARG 103 Cb 0.61 -0.19 -0.15 0.00 0.00 0.00 0.00 32.46 32.73 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N -0.10 2.32 0.19 7.54 0.00 -1.26 -4.87 121.76 125.58 1p8a s ALA 104 Ca 0.24 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1p8a s ALA 104 Cb 0.28 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1p8a s ALA 104 CO -0.12 0.49 0.24 -1.59 0.00 0.00 0.00 175.76 174.78 1p8a s LYS 105 N -0.47 3.19 0.24 0.00 -2.85 -0.03 -4.95 119.74 114.86 1p8a s LYS 105 Ca 0.06 -0.78 0.09 0.00 -1.00 0.00 0.00 55.97 54.33 1p8a s LYS 105 Cb -0.11 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.82 1p8a s LYS 105 CO 0.01 0.47 -0.01 0.08 0.10 0.00 0.00 175.35 176.01 1p8a s VAL 106 N -1.85 3.50 -0.12 1.79 1.01 -1.26 -0.46 120.40 123.01 1p8a s VAL 106 Ca 0.33 -1.77 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1p8a s VAL 106 Cb -0.10 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1p8a s VAL 106 CO 0.26 -0.29 0.29 0.68 0.00 0.00 0.00 175.10 176.04 1p8a s VAL 107 N -2.12 -0.02 0.03 2.92 -7.23 0.14 -4.85 120.40 109.27 1p8a s VAL 107 Ca 0.30 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.42 1p8a s VAL 107 Cb -0.07 -0.42 -0.06 0.00 0.56 0.00 0.00 36.38 36.39 1p8a s VAL 107 CO 0.19 0.03 0.40 -0.22 -0.31 0.00 0.00 175.10 175.20 1p8a s LEU 108 N 0.81 4.42 -0.08 1.32 2.96 -1.26 -1.03 118.68 125.83 1p8a s LEU 108 Ca -0.05 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1p8a s LEU 108 Cb -0.07 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 1p8a s LEU 108 CO -0.05 0.26 -0.10 0.33 -1.32 0.00 0.00 176.35 175.46 1p8a n PHE 109 N 1.43 0.46 -4.09 5.38 -0.00 -0.11 -4.87 117.46 115.66 1p8a n PHE 109 Ca -0.11 0.20 -0.09 0.00 -0.00 0.00 0.00 57.45 57.44 1p8a n PHE 109 Cb 0.52 -0.51 -0.09 0.00 -0.00 0.00 0.00 39.48 39.40 1p8a n PHE 109 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1p8a s ASN 110 N -4.72 0.28 1.03 -2.13 2.20 -1.26 -5.09 114.94 105.24 1p8a s ASN 110 Ca -0.08 -1.08 -0.16 0.00 -0.94 0.00 0.00 52.86 50.60 1p8a s ASN 110 Cb 0.01 0.31 0.21 0.00 -2.00 0.00 0.00 41.25 39.78 1p8a s ASN 110 CO 0.12 -0.74 1.18 -2.16 -2.94 0.00 0.00 177.10 172.56 1p8a s PRO 111 N -4.00 0.19 -0.26 3.55 0.04 -1.26 -4.15 135.00 129.10 1p8a s PRO 111 Ca 0.19 -0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 1p8a s PRO 111 Cb 0.07 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.70 1p8a s PRO 111 CO -0.01 -2.78 2.48 -0.35 0.04 0.00 0.00 177.00 176.38 1p8a n PRO 112 N -4.12 1.58 0.00 0.56 -0.04 -1.26 -3.19 135.00 128.54 1p8a n PRO 112 Ca 0.11 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1p8a n PRO 112 Cb 0.59 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1p8a n PRO 112 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1p8a n ASN 113 N 3.02 0.00 0.08 3.54 5.15 -1.26 -4.93 115.26 120.85 1p8a n ASN 113 Ca 0.34 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.28 1p8a n ASN 113 Cb 0.49 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.72 1p8a n ASN 113 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1p8a h GLY 114 N 0.00 -0.69 -7.64 8.20 0.00 -1.91 -3.33 103.07 97.70 1p8a h GLY 114 Ca 0.00 0.30 -0.77 0.00 0.00 0.00 0.00 47.33 46.86 1p8a h GLY 114 CO 0.00 -0.24 0.09 -1.34 0.00 0.00 0.00 176.54 175.05 1p8a s VAL 115 N -3.61 5.24 0.83 4.60 -7.23 -1.26 -4.79 120.40 114.18 1p8a s VAL 115 Ca -0.04 -3.02 -0.11 0.00 -1.81 0.00 0.00 61.98 57.01 1p8a s VAL 115 Cb 0.01 -4.23 0.09 0.00 0.56 0.00 0.00 36.38 32.81 1p8a s VAL 115 CO 0.13 -1.06 1.10 -0.62 -0.31 0.00 0.00 175.10 174.34 1p8a s ASP 116 N 1.36 3.94 -0.70 4.85 -1.08 -1.25 -4.89 116.67 118.89 1p8a s ASP 116 Ca 0.23 1.86 0.04 0.00 -0.52 0.00 0.00 52.55 54.15 1p8a s ASP 116 Cb -0.11 -2.48 0.28 0.00 -1.46 0.00 0.00 42.92 39.14 1p8a s ASP 116 CO -0.08 -2.40 0.92 -0.67 0.52 0.00 0.00 175.17 173.45 1p8a n ASP 117 N -3.76 4.37 -4.78 -0.34 2.03 -1.26 -4.39 116.55 108.42 1p8a n ASP 117 Ca 0.09 -3.50 -0.30 0.00 0.52 0.00 0.00 54.79 51.60 1p8a n ASP 117 Cb 0.53 -0.74 0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1p8a n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1p8a s PRO 118 N -2.77 2.09 0.20 -0.67 0.04 -1.26 -5.07 135.00 127.56 1p8a s PRO 118 Ca 0.40 0.84 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1p8a s PRO 118 Cb 0.16 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1p8a s PRO 118 CO -0.02 -1.67 -0.03 0.71 0.04 0.00 0.00 177.00 176.03 1p8a s TYR 119 N -3.03 1.43 -1.05 0.56 2.02 -1.26 -4.76 117.35 111.26 1p8a s TYR 119 Ca 0.61 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1p8a s TYR 119 Cb -0.16 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1p8a s TYR 119 CO 0.55 -0.02 0.00 0.66 -1.57 0.00 0.00 175.55 175.17 1p8a n TYR 120 N -0.33 -1.14 -3.09 2.71 4.02 -1.26 -4.84 117.16 113.22 1p8a n TYR 120 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1p8a n TYR 120 Cb 0.63 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.41 1p8a n TYR 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1p8a n SER 121 N -1.31 0.00 -3.27 7.72 2.88 -1.26 -5.11 113.62 113.27 1p8a n SER 121 Ca -0.13 -0.87 -0.24 0.00 -1.33 0.00 0.00 58.87 56.30 1p8a n SER 121 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1p8a n SER 122 N -1.26 -0.40 0.00 -3.46 3.41 -1.26 -4.90 113.62 105.75 1p8a n SER 122 Ca 0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1p8a n SER 122 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1p8a n SER 122 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1p8a n ASP 123 N 2.23 2.81 -0.10 4.04 -0.08 -1.26 -4.84 116.55 119.34 1p8a n ASP 123 Ca 0.25 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1p8a n ASP 123 Cb 0.51 0.28 -0.13 0.00 2.34 0.00 0.00 41.12 44.12 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p8a n GLY 124 N 1.90 -0.64 0.39 0.27 0.00 -1.26 -3.87 105.19 101.97 1p8a n GLY 124 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1p8a n GLY 124 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 125 N 0.00 -1.23 0.40 1.61 0.04 -1.88 2.13 116.94 118.01 1p8a h PHE 125 Ca -0.52 0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.34 1p8a h PHE 125 Cb 1.99 0.66 0.00 0.00 2.20 0.00 0.00 35.95 40.81 1p8a h PHE 125 CO 0.01 -0.40 -0.19 -1.00 -0.60 0.00 0.00 178.31 176.13 1p8a h PRO 126 N -0.05 -0.52 -0.80 1.51 0.13 -1.90 -3.12 132.00 127.26 1p8a h PRO 126 Ca 0.28 0.04 0.17 0.00 -0.87 0.00 0.00 66.00 65.62 1p8a h PRO 126 Cb 0.56 0.12 -0.11 0.00 0.13 0.00 0.00 31.00 31.70 1p8a h PRO 126 CO -0.91 -0.35 0.30 1.15 -0.23 0.00 0.00 178.00 177.97 1p8a h THR 127 N -1.12 0.57 0.00 1.56 2.02 -1.56 0.05 112.91 114.43 1p8a h THR 127 Ca -0.06 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1p8a h THR 127 Cb 0.41 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1p8a h THR 127 CO 0.09 0.07 0.00 0.80 0.37 0.00 0.00 175.52 176.85 1p8a n MET 128 N -5.05 0.00 -0.15 6.66 0.00 0.72 0.27 117.12 119.57 1p8a n MET 128 Ca 0.17 0.30 -0.13 0.00 0.00 0.00 0.00 57.70 58.04 1p8a n MET 128 Cb 0.50 -1.07 -0.08 0.00 0.00 0.00 0.00 33.22 32.56 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 -1.59 -0.87 1.12 3.57 -1.46 1.06 116.94 118.77 1p8a h PHE 129 Ca 0.00 0.08 0.25 0.00 3.53 0.00 0.00 57.97 61.84 1p8a h PHE 129 Cb 0.00 0.75 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1p8a h PHE 129 CO -0.04 -0.47 0.87 0.00 -2.23 0.00 0.00 178.31 176.43 1p8a h ALA 130 N 0.12 2.72 -0.42 2.41 0.00 -0.91 0.41 119.26 123.60 1p8a h ALA 130 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p8a h ALA 130 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1p8a h ALA 130 CO -0.61 -1.32 0.00 0.43 0.00 0.00 0.00 179.25 177.75 1p8a n SER 131 N -3.62 0.00 -0.22 0.00 7.64 0.34 -1.02 113.62 116.74 1p8a n SER 131 Ca 0.19 0.26 0.30 0.00 1.01 0.00 0.00 58.87 60.62 1p8a n SER 131 Cb 1.16 -0.43 0.53 0.00 -1.01 0.00 0.00 64.21 64.46 1p8a n SER 131 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1p8a h ILE 132 N 0.00 0.06 0.00 0.44 2.10 -0.44 0.15 117.51 119.83 1p8a h ILE 132 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1p8a h ILE 132 Cb 0.00 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 35.84 1p8a h ILE 132 CO 0.00 0.00 -0.47 -0.24 -1.08 0.00 0.00 178.15 176.36 1p8a n SER 133 N -3.40 1.68 0.22 2.19 2.88 0.14 -2.37 113.62 114.96 1p8a n SER 133 Ca 0.23 0.61 0.17 0.00 -1.33 0.00 0.00 58.87 58.55 1p8a n SER 133 Cb 1.44 -0.85 0.72 0.00 -0.75 0.00 0.00 64.21 64.77 1p8a n SER 133 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1p8a h LYS 134 N -0.93 0.00 -0.33 -1.46 5.09 0.16 0.77 116.57 119.87 1p8a h LYS 134 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1p8a h LYS 134 Cb 0.47 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.80 1p8a h LYS 134 CO 0.00 0.00 0.00 -1.91 -2.09 0.00 0.00 179.45 175.45 1p8a n GLU 135 N -3.17 2.89 0.00 0.07 4.07 0.41 -4.44 120.64 120.47 1p8a n GLU 135 Ca 0.03 -2.15 0.14 0.00 -0.06 0.00 0.00 57.16 55.11 1p8a n GLU 135 Cb 0.56 -1.34 0.49 0.00 -0.06 0.00 0.00 31.44 31.10 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1p8a n MET 136 N 0.37 0.95 -0.08 5.31 1.56 0.27 -3.83 117.12 121.66 1p8a n MET 136 Ca 0.13 -0.48 -0.22 0.00 -0.27 0.00 0.00 57.70 56.85 1p8a n MET 136 Cb 0.48 -1.49 -0.12 0.00 2.15 0.00 0.00 33.22 34.24 1p8a n MET 136 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1p8a n LYS 137 N -0.60 0.61 0.00 2.12 5.02 -1.25 -3.37 118.16 120.69 1p8a n LYS 137 Ca 0.14 0.49 0.10 0.00 -2.02 0.00 0.00 58.31 57.02 1p8a n LYS 137 Cb 0.32 -1.72 0.60 0.00 -0.02 0.00 0.00 35.03 34.20 1p8a n LYS 137 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 138 N -4.20 0.77 -0.10 1.97 -0.04 -1.26 -2.17 135.00 129.98 1p8a n PRO 138 Ca -0.33 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 62.93 1p8a n PRO 138 Cb 0.78 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.91 0.00 -0.04 0.54 -0.00 -1.25 -4.47 117.46 111.34 1p8a n PHE 139 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.51 1p8a n PHE 139 Cb 0.07 -0.72 -0.08 0.00 -0.00 0.00 0.00 39.48 38.75 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1p8a h LEU 140 N -0.52 -0.04 -1.50 -2.13 6.46 -1.59 0.26 115.31 116.25 1p8a h LEU 140 Ca -0.48 -0.57 0.28 0.00 -0.12 0.00 0.00 57.88 56.98 1p8a h LEU 140 Cb 1.50 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.40 1p8a h LEU 140 CO -0.24 0.72 0.98 0.74 -0.62 0.00 0.00 178.44 180.01 1p8a h THR 141 N -0.96 0.14 0.00 1.05 2.02 -1.68 -0.76 112.91 112.73 1p8a h THR 141 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.87 1p8a h THR 141 Cb 0.61 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1p8a h THR 141 CO 0.01 0.00 -2.14 -0.62 0.37 0.00 0.00 175.52 173.14 1p8a n GLU 142 N -3.53 0.50 -0.28 6.66 1.02 -1.23 -3.94 120.64 119.84 1p8a n GLU 142 Ca 0.21 0.12 0.33 0.00 -0.02 0.00 0.00 57.16 57.80 1p8a n GLU 142 Cb 1.28 -1.40 0.61 0.00 -0.02 0.00 0.00 31.44 31.91 1p8a n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1p8a h HIS 143 N -0.02 0.00 0.00 -0.32 3.86 0.11 -3.42 115.15 115.36 1p8a h HIS 143 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1p8a h HIS 143 Cb 1.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.16 1p8a h HIS 143 CO 0.02 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.22 1p8a n GLY 144 N -1.73 0.30 1.75 2.45 0.00 -1.10 -5.04 105.19 101.81 1p8a n GLY 144 Ca 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.00 0.00 0.99 4.32 -1.24 -4.68 117.00 116.39 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 145 Cb 0.00 0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1p8a n LEU 145 CO 0.00 -0.44 0.13 0.00 -1.22 0.00 0.00 177.39 175.86