#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 0.00 -2.43 0.00 0.00 -1.26 -5.18 120.51 111.64 1p8a n ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1p8a n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1p8a s GLU 3 N 0.00 1.50 0.85 0.00 -1.05 -1.26 -5.15 118.70 113.59 1p8a s GLU 3 Ca 0.00 -1.62 -0.12 0.00 -0.15 0.00 0.00 54.97 53.08 1p8a s GLU 3 Cb 0.00 -1.55 0.19 0.00 -0.44 0.00 0.00 34.13 32.33 1p8a s GLU 3 CO 0.00 0.30 1.16 0.36 0.95 0.00 0.00 175.26 178.02 1p8a n LYS 4 N -0.26 -0.93 -0.25 -4.83 0.00 -1.26 -5.02 118.16 105.61 1p8a n LYS 4 Ca -0.08 -2.05 0.00 0.00 -0.00 0.00 0.00 58.31 56.17 1p8a n LYS 4 Cb 0.59 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.51 1p8a n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1p8a n LYS 5 N -3.39 0.00 -3.69 -1.58 5.02 -1.03 -4.98 118.16 108.51 1p8a n LYS 5 Ca 0.15 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 1p8a n LYS 5 Cb 0.54 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.38 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 -1.86 0.07 -0.20 7.82 0.00 -1.26 0.33 121.76 126.65 1p8a s ALA 6 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 1p8a s ALA 6 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1p8a s ALA 6 CO 0.00 -0.44 -0.04 0.08 0.00 0.00 0.00 175.76 175.36 1p8a s VAL 7 N 2.00 3.50 -1.04 0.00 1.01 -0.33 -1.32 120.40 124.22 1p8a s VAL 7 Ca 0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1p8a s VAL 7 Cb -0.12 -2.57 0.19 0.00 0.00 0.00 0.00 36.38 33.88 1p8a s VAL 7 CO -0.04 0.44 1.16 -0.22 0.00 0.00 0.00 175.10 176.44 1p8a s LEU 8 N 1.15 5.62 0.09 3.92 2.96 0.74 -0.14 118.68 133.02 1p8a s LEU 8 Ca 0.02 -2.78 -0.31 0.00 -0.22 0.00 0.00 54.13 50.84 1p8a s LEU 8 Cb -0.15 -2.33 -0.10 0.00 0.50 0.00 0.00 46.19 44.12 1p8a s LEU 8 CO -0.00 -0.72 1.85 -0.36 -1.32 0.00 0.00 176.35 175.80 1p8a s PHE 9 N 1.09 1.93 0.34 5.38 0.08 0.15 -1.42 117.98 125.53 1p8a s PHE 9 Ca 0.33 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.32 1p8a s PHE 9 Cb -0.06 -4.18 -0.07 0.00 -0.57 0.00 0.00 43.02 38.14 1p8a s PHE 9 CO -0.06 -4.98 0.02 0.08 -0.10 0.00 0.00 175.22 170.18 1p8a s VAL 10 N 3.21 1.55 0.00 -0.44 1.01 0.14 -1.01 120.40 124.87 1p8a s VAL 10 Ca 0.82 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1p8a s VAL 10 Cb -0.44 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1p8a s VAL 10 CO 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 175.10 175.41 1p8a n LEU 12 N 0.00 3.40 0.00 0.00 7.94 -1.26 -4.38 117.00 122.70 1p8a n LEU 12 Ca 0.00 -5.31 0.00 0.00 -1.11 0.00 0.00 56.01 49.59 1p8a n LEU 12 Cb 0.00 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.21 1p8a n LEU 12 CO 0.00 1.87 0.00 0.61 -1.11 0.00 0.00 177.39 178.76 1p8a n GLY 13 N 1.52 0.75 4.00 -3.96 0.00 -1.26 -4.80 105.19 101.44 1p8a n GLY 13 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.03 0.17 1.61 2.85 -1.26 -4.59 115.26 112.01 1p8a n ASN 14 Ca 0.00 -0.80 0.00 0.00 -0.11 0.00 0.00 54.58 53.67 1p8a n ASN 14 Cb 0.00 -1.76 0.00 0.00 1.24 0.00 0.00 39.78 39.26 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1p8a n ILE 15 N -3.78 0.00 -2.72 -1.44 5.41 -1.26 -4.00 119.36 111.57 1p8a n ILE 15 Ca 0.08 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.46 1p8a n ILE 15 Cb 0.47 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 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 -0.12 0.00 -2.70 0.00 3.00 -1.26 -4.15 116.66 111.43 1p8a n ARG 17 Ca 0.42 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 58.20 1p8a n ARG 17 Cb 0.30 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.85 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1p8a n SER 18 N -2.52 -0.52 0.15 0.55 7.64 -1.26 -4.86 113.62 112.80 1p8a n SER 18 Ca 0.00 -2.47 0.13 0.00 1.01 0.00 0.00 58.87 57.55 1p8a n SER 18 Cb 0.00 0.37 0.45 0.00 -1.01 0.00 0.00 64.21 64.02 1p8a n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1p8a h PRO 19 N 2.22 0.00 -0.30 1.43 0.13 -1.91 -2.83 132.00 130.74 1p8a h PRO 19 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1p8a h PRO 19 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p8a h PRO 19 CO 0.11 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.88 1p8a n ALA 20 N -1.86 2.47 -0.03 -0.56 0.00 -1.26 -4.13 120.51 115.14 1p8a n ALA 20 Ca 0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1p8a n ALA 20 Cb 0.34 -1.01 0.27 0.00 0.00 0.00 0.00 19.45 19.06 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 0.57 -0.41 0.16 0.00 5.08 -1.83 -0.17 114.58 117.99 1p8a h GLU 22 Ca 0.12 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1p8a h GLU 22 Cb 0.33 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1p8a h GLU 22 CO 0.01 -0.08 -0.08 0.78 -1.00 0.00 0.00 179.01 178.64 1p8a h GLY 23 N -0.87 -0.23 0.63 -3.84 0.00 -1.39 -0.25 103.07 97.13 1p8a h GLY 23 Ca -0.04 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1p8a h GLY 23 CO 0.07 -0.08 0.35 1.19 0.00 0.00 0.00 176.54 178.07 1p8a h ILE 24 N -0.33 0.94 -0.38 2.60 6.09 -0.79 -0.93 117.51 124.71 1p8a h ILE 24 Ca -0.02 -0.22 -0.07 0.00 -1.37 0.00 0.00 64.86 63.18 1p8a h ILE 24 Cb 0.26 0.24 -0.02 0.00 0.47 0.00 0.00 36.82 37.77 1p8a h ILE 24 CO 0.04 0.12 -0.04 0.00 -3.07 0.00 0.00 178.15 175.20 1p8a h ARG 26 N 0.59 0.53 0.02 0.00 3.08 0.12 0.43 114.38 119.15 1p8a h ARG 26 Ca 0.12 -0.17 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 1p8a h ARG 26 Cb 0.43 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1p8a h ARG 26 CO 0.02 0.68 -0.97 -0.44 -1.07 0.00 0.00 179.97 178.20 1p8a h ASP 27 N 0.31 0.45 -0.02 7.04 5.19 -1.02 0.42 116.42 128.79 1p8a h ASP 27 Ca 0.08 -0.37 -0.08 0.00 -0.62 0.00 0.00 57.03 56.04 1p8a h ASP 27 Cb 0.45 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.83 1p8a h ASP 27 CO 0.02 1.19 -0.30 0.24 -3.12 0.00 0.00 179.24 177.27 1p8a h MET 28 N 0.18 0.23 -0.34 3.56 2.86 -0.25 -3.41 114.93 117.76 1p8a h MET 28 Ca -0.08 -0.23 -0.25 0.00 -2.06 0.00 0.00 59.70 57.09 1p8a h MET 28 Cb 1.61 0.06 -0.26 0.00 0.06 0.00 0.00 31.60 33.07 1p8a h MET 28 CO 0.16 0.92 -0.70 1.33 1.06 0.00 0.00 176.91 179.68 1p8a n VAL 29 N -4.47 0.50 -0.43 -2.22 0.24 0.13 -4.93 118.33 107.15 1p8a n VAL 29 Ca -0.09 -2.06 0.40 0.00 -2.04 0.00 0.00 64.34 60.55 1p8a n VAL 29 Cb 0.51 0.97 0.71 0.00 -1.47 0.00 0.00 33.84 34.57 1p8a n VAL 29 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1p8a h GLY 30 N 2.15 0.00 0.95 7.63 0.00 0.20 0.58 103.07 114.57 1p8a h GLY 30 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1p8a h GLY 30 CO 0.10 0.00 0.12 -0.55 0.00 0.00 0.00 176.54 176.21 1p8a h ASP 31 N 0.00 0.29 0.50 0.19 3.32 -1.85 -1.97 116.42 116.90 1p8a h ASP 31 Ca 0.68 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.62 1p8a h ASP 31 Cb 2.98 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 42.46 1p8a h ASP 31 CO -0.01 0.29 -0.10 0.11 -1.72 0.00 0.00 179.24 177.82 1p8a h LYS 32 N 0.26 0.00 0.00 3.56 1.57 -0.20 -3.45 116.57 118.31 1p8a h LYS 32 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1p8a h LYS 32 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1p8a h LYS 32 CO -0.01 0.10 0.00 1.28 -0.57 0.00 0.00 179.45 180.24 1p8a n LEU 33 N -3.44 0.00 -2.67 2.94 4.32 -0.74 -2.48 117.00 114.92 1p8a n LEU 33 Ca -0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.81 1p8a n LEU 33 Cb 0.25 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.02 1p8a n LEU 33 CO 0.29 0.00 -0.06 2.30 -1.22 0.00 0.00 177.39 178.69 1p8a n ILE 34 N 0.00 0.00 -3.02 -0.08 -5.35 0.15 -4.77 119.36 106.29 1p8a n ILE 34 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 1p8a n ILE 34 Cb 0.00 -0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 37.68 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p8a s ILE 35 N -1.87 4.83 0.16 7.28 1.09 -1.26 -1.19 121.20 130.23 1p8a s ILE 35 Ca 0.32 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.45 1p8a s ILE 35 Cb -0.19 -4.66 -0.04 0.00 -1.06 0.00 0.00 42.46 36.51 1p8a s ILE 35 CO 0.40 -1.35 0.04 -1.81 -0.10 0.00 0.00 174.94 172.12 1p8a s ASP 36 N 3.41 0.68 0.01 3.58 1.01 0.80 -4.87 116.67 121.29 1p8a s ASP 36 Ca 0.24 -1.22 -0.29 0.00 0.71 0.00 0.00 52.55 52.00 1p8a s ASP 36 Cb -0.11 0.23 0.10 0.00 1.01 0.00 0.00 42.92 44.14 1p8a s ASP 36 CO -0.03 -0.68 0.98 -0.44 0.21 0.00 0.00 175.17 175.21 1p8a s SER 37 N -3.12 -0.26 0.00 0.27 0.01 -1.26 0.33 113.70 109.68 1p8a s SER 37 Ca 0.26 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1p8a s SER 37 Cb 0.07 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1p8a s SER 37 CO 0.04 -0.61 0.00 0.00 0.41 0.00 0.00 173.24 173.08 1p8a n ALA 38 N -0.30 0.00 -3.69 1.44 0.00 -0.18 -4.79 120.51 113.00 1p8a n ALA 38 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1p8a n ALA 38 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a n ALA 39 N -3.00 -2.38 -2.11 0.00 0.00 -0.79 -3.45 120.51 108.78 1p8a n ALA 39 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1p8a n ALA 39 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 1p8a n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1p8a n THR 40 N -0.61 0.00 -0.41 0.00 5.66 -1.26 0.49 114.28 118.14 1p8a n THR 40 Ca 0.02 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1p8a n THR 40 Cb 0.41 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1p8a n THR 40 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1p8a n SER 41 N 0.11 0.51 0.00 1.09 3.41 -1.26 -5.02 113.62 112.47 1p8a n SER 41 Ca -0.07 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1p8a n SER 41 Cb 0.74 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p8a n GLY 42 N 0.04 0.92 1.79 5.00 0.00 -1.26 -4.85 105.19 106.83 1p8a n GLY 42 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1p8a n GLY 42 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p8a n PHE 43 N 0.00 -4.00 0.00 1.61 -0.00 -1.26 -4.37 117.46 109.44 1p8a n PHE 43 Ca 0.00 2.41 0.00 0.00 -0.00 0.00 0.00 57.45 59.86 1p8a n PHE 43 Cb 0.00 -3.38 0.00 0.00 -0.00 0.00 0.00 39.48 36.10 1p8a n PHE 43 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1p8a n HIS 44 N 1.53 0.00 -3.10 -5.13 8.25 -1.26 -4.81 115.22 110.69 1p8a n HIS 44 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1p8a n HIS 44 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1p8a n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1p8a n VAL 45 N 0.00 -8.37 0.00 1.59 0.31 -1.26 -4.49 118.33 106.11 1p8a n VAL 45 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 1p8a n VAL 45 Cb 0.00 -5.87 0.00 0.00 -0.91 0.00 0.00 33.84 27.06 1p8a n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 46 N -0.24 1.71 0.19 2.92 0.00 -1.26 -4.91 105.19 103.60 1p8a n GLY 46 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.43 0.00 -3.69 1.61 -0.00 -1.26 -5.06 117.38 108.55 1p8a n GLN 47 Ca 0.00 -0.39 -0.39 0.00 -0.00 0.00 0.00 57.00 56.22 1p8a n GLN 47 Cb 0.00 -0.28 -0.12 0.00 -0.00 0.00 0.00 30.24 29.84 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 -0.22 5.45 -0.59 2.61 0.15 -1.26 -5.03 113.70 114.81 1p8a s SER 48 Ca 0.00 -0.94 -0.27 0.00 0.70 0.00 0.00 55.95 55.45 1p8a s SER 48 Cb 0.00 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 1p8a s SER 48 CO 0.00 -0.31 1.86 -2.16 1.20 0.00 0.00 173.24 173.84 1p8a s PRO 49 N 1.50 2.67 -0.11 5.44 0.04 -1.26 -4.83 135.00 138.44 1p8a s PRO 49 Ca 0.01 0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.75 1p8a s PRO 49 Cb -0.19 -4.38 0.23 0.00 0.04 0.00 0.00 34.50 30.20 1p8a s PRO 49 CO 0.04 -2.68 1.13 -0.40 0.04 0.00 0.00 177.00 175.13 1p8a n ASP 50 N 12.62 2.93 0.09 6.66 5.68 -1.26 -4.02 116.55 139.25 1p8a n ASP 50 Ca 0.21 -2.41 -0.07 0.00 -0.50 0.00 0.00 54.79 52.02 1p8a n ASP 50 Cb 0.52 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 39.94 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1p8a h THR 51 N 0.68 1.49 0.09 2.12 1.35 -1.98 -1.30 112.91 115.36 1p8a h THR 51 Ca 0.12 -2.52 -0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1p8a h THR 51 Cb 1.33 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1p8a h THR 51 CO 0.27 0.73 -0.04 0.03 -0.25 0.00 0.00 175.52 176.25 1p8a h ARG 52 N 0.09 -0.12 0.18 4.72 3.08 -1.99 -0.61 114.38 119.73 1p8a h ARG 52 Ca -0.03 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1p8a h ARG 52 Cb 1.40 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1p8a h ARG 52 CO 0.12 0.38 -0.14 0.77 -1.07 0.00 0.00 179.97 180.03 1p8a h SER 53 N -0.72 -0.36 0.18 7.04 0.02 -1.83 -1.30 113.55 116.58 1p8a h SER 53 Ca -0.01 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1p8a h SER 53 Cb 0.56 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1p8a h SER 53 CO 0.02 -0.22 -0.36 -0.61 -1.14 0.00 0.00 176.83 174.52 1p8a h GLN 54 N -0.33 -0.60 -0.16 3.45 4.15 -1.31 -0.07 115.11 120.24 1p8a h GLN 54 Ca -0.01 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1p8a h GLN 54 Cb 0.30 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1p8a h GLN 54 CO -0.01 -0.40 -0.18 -0.22 -1.93 0.00 0.00 178.83 176.09 1p8a h LYS 55 N -0.63 -0.10 -1.16 1.69 3.64 -0.89 0.69 116.57 119.82 1p8a h LYS 55 Ca 0.02 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.75 1p8a h LYS 55 Cb 0.63 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.36 1p8a h LYS 55 CO -0.17 -0.07 0.73 0.28 -2.27 0.00 0.00 179.45 177.95 1p8a h VAL 56 N -0.10 0.31 -0.80 2.00 2.07 -1.04 1.25 116.25 119.94 1p8a h VAL 56 Ca 0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1p8a h VAL 56 Cb 0.18 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1p8a h VAL 56 CO -0.20 0.04 0.52 0.00 0.02 0.00 0.00 177.57 177.95 1p8a h LYS 58 N 1.06 0.00 -0.00 0.00 1.79 0.33 0.41 116.57 120.16 1p8a h LYS 58 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1p8a h LYS 58 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1p8a h LYS 58 CO -0.07 0.46 -0.35 0.45 -1.08 0.00 0.00 179.45 178.85 1p8a n SER 59 N -3.67 0.42 -0.04 0.86 2.88 -0.16 -3.91 113.62 110.01 1p8a n SER 59 Ca -0.01 -0.14 -0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1p8a n SER 59 Cb 0.53 0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.41 2.45 0.00 -3.46 4.13 0.20 -5.05 115.26 112.12 1p8a n ASN 60 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1p8a n ASN 60 Cb 0.33 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.58 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 2.19 0.89 0.00 7.41 0.00 0.13 -5.06 105.19 110.75 1p8a n GLY 61 Ca -0.12 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1p8a n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p8a n VAL 62 N 0.00 0.00 -3.65 1.61 3.14 -0.15 -4.88 118.33 114.40 1p8a n VAL 62 Ca 0.00 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.23 1p8a n VAL 62 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1p8a n VAL 62 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1p8a s ASP 63 N 0.00 -0.55 0.19 6.55 1.01 -1.26 -3.76 116.67 118.85 1p8a s ASP 63 Ca 0.00 0.88 0.02 0.00 0.71 0.00 0.00 52.55 54.16 1p8a s ASP 63 Cb 0.00 0.88 -0.05 0.00 1.01 0.00 0.00 42.92 44.76 1p8a s ASP 63 CO 0.00 -0.34 0.00 0.27 0.21 0.00 0.00 175.17 175.31 1p8a s ILE 64 N -0.34 0.80 -0.78 0.77 -4.36 -1.26 -2.36 121.20 113.68 1p8a s ILE 64 Ca -0.05 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1p8a s ILE 64 Cb -0.03 -2.21 0.22 0.00 1.25 0.00 0.00 42.46 41.69 1p8a s ILE 64 CO 0.04 -0.41 0.75 -1.54 0.24 0.00 0.00 174.94 174.01 1p8a n SER 65 N -0.31 3.90 -1.55 4.36 3.41 -1.26 -5.03 113.62 117.15 1p8a n SER 65 Ca -0.06 -3.28 0.04 0.00 -0.26 0.00 0.00 58.87 55.31 1p8a n SER 65 Cb 0.63 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p8a n LYS 66 N 1.64 -3.96 -0.03 4.33 5.02 -1.26 -4.96 118.16 118.95 1p8a n LYS 66 Ca 0.24 3.11 -0.04 0.00 -2.02 0.00 0.00 58.31 59.60 1p8a n LYS 66 Cb 0.37 -4.00 -0.01 0.00 -0.02 0.00 0.00 35.03 31.37 1p8a n LYS 66 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1p8a n GLN 67 N -3.02 0.22 -3.24 1.97 1.13 -1.26 -5.06 117.38 108.13 1p8a n GLN 67 Ca -0.02 0.09 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 1p8a n GLN 67 Cb 0.53 -0.83 0.02 0.00 0.11 0.00 0.00 30.24 30.08 1p8a n GLN 67 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1p8a n ARG 68 N -3.46 -1.66 -1.00 -1.09 0.63 -1.26 -4.82 116.66 104.00 1p8a n ARG 68 Ca -0.06 1.47 -0.35 0.00 -0.92 0.00 0.00 57.85 58.00 1p8a n ARG 68 Cb 0.22 -2.60 0.08 0.00 0.45 0.00 0.00 32.46 30.61 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p8a n ALA 69 N 0.33 -2.84 -2.48 5.13 0.00 -1.26 -4.94 120.51 114.46 1p8a n ALA 69 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 1p8a n ALA 69 Cb 0.53 -1.67 0.02 0.00 0.00 0.00 0.00 19.45 18.33 1p8a n ALA 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1p8a n ARG 70 N -0.46 0.60 0.00 0.00 1.85 -1.26 -4.92 116.66 112.47 1p8a n ARG 70 Ca 0.06 -1.98 0.00 0.00 -1.00 0.00 0.00 57.85 54.93 1p8a n ARG 70 Cb 0.53 -0.18 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 1p8a n ARG 70 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p8a n GLN 71 N -0.18 0.00 -3.68 2.89 10.64 -1.26 -4.72 117.38 121.06 1p8a n GLN 71 Ca -0.06 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.02 1p8a n GLN 71 Cb 0.92 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.20 1p8a n GLN 71 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1p8a s ILE 72 N 0.00 -0.06 0.57 -0.39 2.07 0.18 -1.89 121.20 121.68 1p8a s ILE 72 Ca 0.00 0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1p8a s ILE 72 Cb 0.00 -0.71 0.07 0.00 0.13 0.00 0.00 42.46 41.94 1p8a s ILE 72 CO 0.00 0.03 0.79 -0.89 -1.91 0.00 0.00 174.94 172.96 1p8a s THR 73 N 1.54 2.47 -1.40 4.00 2.01 -1.26 -4.93 115.64 118.06 1p8a s THR 73 Ca -0.09 -0.81 0.20 0.00 0.31 0.00 0.00 61.69 61.29 1p8a s THR 73 Cb -0.08 -2.66 0.33 0.00 0.01 0.00 0.00 72.50 70.11 1p8a s THR 73 CO -0.15 0.00 1.61 0.29 -0.69 0.00 0.00 174.62 175.68 1p8a n LYS 74 N -2.33 0.26 0.08 4.92 5.02 -1.26 -2.84 118.16 122.01 1p8a n LYS 74 Ca 0.12 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.39 1p8a n LYS 74 Cb 0.60 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 2.91 0.35 -0.89 7.82 0.00 -1.97 -3.29 119.26 124.19 1p8a h ALA 75 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 54.91 54.35 1p8a h ALA 75 Cb 0.19 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 1p8a h ALA 75 CO 0.00 0.91 -0.09 -0.44 0.00 0.00 0.00 179.25 179.63 1p8a h ASP 76 N 0.13 -0.61 -1.26 0.00 5.19 -1.92 1.26 116.42 119.22 1p8a h ASP 76 Ca -0.08 0.25 0.36 0.00 -0.62 0.00 0.00 57.03 56.95 1p8a h ASP 76 Cb 1.66 0.48 -0.05 0.00 0.18 0.00 0.00 39.33 41.60 1p8a h ASP 76 CO 0.16 -0.28 0.90 -0.26 -3.12 0.00 0.00 179.24 176.64 1p8a h PHE 77 N 0.03 0.04 -0.12 4.55 0.04 -1.79 0.45 116.94 120.14 1p8a h PHE 77 Ca 0.48 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.19 1p8a h PHE 77 Cb 0.84 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.94 1p8a h PHE 77 CO -0.57 -0.00 -0.34 0.43 -0.60 0.00 0.00 178.31 177.22 1p8a n SER 78 N -4.19 1.99 0.00 2.17 7.64 0.42 -4.52 113.62 117.14 1p8a n SER 78 Ca 0.28 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.31 1p8a n SER 78 Cb 1.31 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1p8a n LYS 79 N -1.13 4.91 0.00 1.43 3.00 0.16 -5.06 118.16 121.47 1p8a n LYS 79 Ca 0.24 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1p8a n LYS 79 Cb 0.81 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 -0.71 0.00 0.00 5.64 3.01 -1.12 -5.03 117.46 119.25 1p8a n PHE 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1p8a n PHE 80 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1p8a n PHE 80 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1p8a n ASP 81 N 0.00 1.71 -4.02 4.37 9.92 -1.16 -4.89 116.55 122.47 1p8a n ASP 81 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1p8a n ASP 81 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.88 0.84 -0.00 2.53 1.01 -0.44 -3.60 120.40 118.85 1p8a s VAL 82 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1p8a s VAL 82 Cb 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1p8a s VAL 82 CO 0.00 0.25 -0.19 -0.63 0.00 0.00 0.00 175.10 174.53 1p8a s ILE 83 N 0.04 2.70 0.23 2.22 1.01 -0.29 -0.19 121.20 126.92 1p8a s ILE 83 Ca -0.01 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.69 1p8a s ILE 83 Cb -0.07 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1p8a s ILE 83 CO 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 174.94 175.34 1p8a s ALA 84 N -0.78 2.03 -0.01 9.38 0.00 -0.51 -0.09 121.76 131.78 1p8a s ALA 84 Ca 0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 1p8a s ALA 84 Cb -0.10 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1p8a s ALA 84 CO 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 175.76 175.81 1p8a s ALA 85 N -3.11 -0.21 0.00 0.00 0.00 0.65 0.27 121.76 119.36 1p8a s ALA 85 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1p8a s ALA 85 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1p8a s ALA 85 CO 0.08 -0.13 0.25 1.28 0.00 0.00 0.00 175.76 177.24 1p8a n LEU 86 N 2.17 1.52 -4.89 0.00 4.32 0.96 0.06 117.00 121.14 1p8a n LEU 86 Ca -0.18 0.26 -0.30 0.00 -0.02 0.00 0.00 56.01 55.77 1p8a n LEU 86 Cb 0.57 -0.02 0.17 0.00 -1.62 0.00 0.00 43.42 42.52 1p8a n LEU 86 CO 0.21 -0.02 0.83 -1.81 -1.22 0.00 0.00 177.39 175.38 1p8a s ASP 87 N -1.51 3.28 0.07 -1.43 1.01 -1.26 -3.91 116.67 112.91 1p8a s ASP 87 Ca 0.00 0.45 -0.15 0.00 0.71 0.00 0.00 52.55 53.56 1p8a s ASP 87 Cb 0.00 -0.64 -0.19 0.00 1.01 0.00 0.00 42.92 43.10 1p8a s ASP 87 CO 0.00 -2.65 1.24 1.56 0.21 0.00 0.00 175.17 175.53 1p8a h GLN 88 N -1.58 0.66 -0.99 8.23 1.08 -1.92 -3.25 115.11 117.34 1p8a h GLN 88 Ca -0.45 -0.59 0.19 0.00 -1.45 0.00 0.00 58.65 56.35 1p8a h GLN 88 Cb 1.27 0.14 -0.18 0.00 -0.05 0.00 0.00 27.48 28.65 1p8a h GLN 88 CO 0.45 1.20 -0.27 1.03 -0.95 0.00 0.00 178.83 180.30 1p8a h SER 89 N 0.32 -1.00 0.81 1.46 0.87 -1.99 0.65 113.55 114.67 1p8a h SER 89 Ca -0.07 0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1p8a h SER 89 Cb 1.39 0.64 0.01 0.00 -0.44 0.00 0.00 62.40 63.99 1p8a h SER 89 CO 0.15 -0.32 -0.39 0.40 -0.53 0.00 0.00 176.83 176.14 1p8a h ILE 90 N -0.00 0.16 -0.70 2.23 2.04 -1.88 -0.34 117.51 119.02 1p8a h ILE 90 Ca 0.46 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.30 1p8a h ILE 90 Cb 0.71 0.18 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 1p8a h ILE 90 CO -1.02 0.01 -0.52 0.25 0.00 0.00 0.00 178.15 176.87 1p8a h LEU 91 N -1.15 -1.86 -1.06 1.44 5.85 -0.98 0.51 115.31 118.06 1p8a h LEU 91 Ca -0.11 0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.99 1p8a h LEU 91 Cb 0.84 0.80 -0.08 0.00 0.37 0.00 0.00 40.66 42.59 1p8a h LEU 91 CO 0.18 -0.27 0.62 -1.28 -0.34 0.00 0.00 178.44 177.36 1p8a h SER 92 N -0.14 0.91 0.11 1.25 0.87 -1.11 -1.92 113.55 113.52 1p8a h SER 92 Ca 0.11 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1p8a h SER 92 Cb 0.44 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1p8a h SER 92 CO -0.73 0.51 -0.31 -0.78 -0.53 0.00 0.00 176.83 174.99 1p8a h ASP 93 N 0.99 -0.90 0.51 6.23 1.82 0.18 1.91 116.42 127.16 1p8a h ASP 93 Ca 0.47 0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 57.20 1p8a h ASP 93 Cb 0.43 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1p8a h ASP 93 CO -0.23 -0.40 -0.35 0.40 -1.61 0.00 0.00 179.24 177.06 1p8a h ILE 94 N -0.53 0.29 0.00 2.25 5.03 -0.56 -1.10 117.51 122.89 1p8a h ILE 94 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1p8a h ILE 94 Cb 0.56 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1p8a h ILE 94 CO -0.19 0.00 0.00 0.78 -0.68 0.00 0.00 178.15 178.06 1p8a h ASN 95 N -0.83 0.00 0.52 1.72 2.35 -1.16 -0.14 115.58 118.05 1p8a h ASN 95 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1p8a h ASN 95 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1p8a h ASN 95 CO 0.04 0.00 0.00 -0.24 -1.65 0.00 0.00 177.43 175.58 1p8a n SER 96 N -2.96 0.00 0.00 5.81 2.88 0.65 -3.98 113.62 116.02 1p8a n SER 96 Ca -0.01 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1p8a n SER 96 Cb 0.15 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -1.44 0.00 -1.45 -1.46 2.81 -0.37 -5.04 117.12 110.17 1p8a n MET 97 Ca 0.05 0.00 -0.49 0.00 -1.81 0.00 0.00 57.70 55.45 1p8a n MET 97 Cb 0.19 -0.43 -0.04 0.00 -0.71 0.00 0.00 33.22 32.23 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 -2.76 0.25 0.00 0.03 5.02 -0.21 -4.94 118.16 115.55 1p8a n LYS 98 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1p8a n LYS 98 Cb 0.35 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.09 0.95 -0.14 1.97 -0.04 -1.26 -4.91 135.00 132.66 1p8a n PRO 99 Ca 0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1p8a n PRO 99 Cb 0.23 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.10 2.88 -3.69 3.54 7.64 -1.26 -4.85 113.62 117.78 1p8a n SER 100 Ca 0.00 -1.85 -0.29 0.00 1.01 0.00 0.00 58.87 57.75 1p8a n SER 100 Cb 0.00 -0.18 -0.16 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.16 3.37 0.15 6.43 0.01 -1.26 -5.12 114.94 117.36 1p8a s ASN 101 Ca 0.27 -1.16 -0.03 0.00 -0.71 0.00 0.00 52.86 51.23 1p8a s ASN 101 Cb 0.16 -0.62 0.01 0.00 0.41 0.00 0.00 41.25 41.20 1p8a s ASN 101 CO 0.22 -0.37 0.24 0.00 -1.51 0.00 0.00 177.10 175.68 1p8a n ARG 103 N -0.23 1.56 -4.07 0.00 0.00 -1.26 -5.04 116.66 107.61 1p8a n ARG 103 Ca -0.01 -3.22 -0.13 0.00 -0.00 0.00 0.00 57.85 54.49 1p8a n ARG 103 Cb 0.24 -1.61 -0.04 0.00 -0.00 0.00 0.00 32.46 31.05 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 -3.20 0.56 0.16 2.89 0.00 -1.26 -4.83 121.76 116.08 1p8a s ALA 104 Ca 0.37 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1p8a s ALA 104 Cb 0.36 1.14 -0.03 0.00 0.00 0.00 0.00 23.12 24.59 1p8a s ALA 104 CO -0.06 -0.80 0.17 0.15 0.00 0.00 0.00 175.76 175.22 1p8a s LYS 105 N -3.27 1.07 -0.09 0.00 1.02 -1.24 -5.03 119.74 112.20 1p8a s LYS 105 Ca 0.29 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.95 1p8a s LYS 105 Cb -0.00 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1p8a s LYS 105 CO 0.17 -0.35 -0.19 0.08 -0.92 0.00 0.00 175.35 174.14 1p8a s VAL 106 N -4.03 2.52 0.12 3.17 1.01 -1.26 -1.13 120.40 120.80 1p8a s VAL 106 Ca 0.23 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1p8a s VAL 106 Cb 0.06 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1p8a s VAL 106 CO 0.03 0.55 -0.16 0.68 0.00 0.00 0.00 175.10 176.21 1p8a s VAL 107 N 0.08 1.44 0.01 2.92 -7.23 0.88 -4.98 120.40 113.51 1p8a s VAL 107 Ca -0.08 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1p8a s VAL 107 Cb -0.15 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1p8a s VAL 107 CO 0.05 -0.33 0.17 -0.22 -0.31 0.00 0.00 175.10 174.46 1p8a s LEU 108 N -2.34 4.27 -0.35 1.32 2.96 -1.26 -0.25 118.68 123.02 1p8a s LEU 108 Ca 0.09 0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 1p8a s LEU 108 Cb -0.06 -2.62 0.03 0.00 0.50 0.00 0.00 46.19 44.03 1p8a s LEU 108 CO 0.04 0.24 0.16 0.12 -1.32 0.00 0.00 176.35 175.58 1p8a s PHE 109 N -1.34 3.24 0.52 5.38 5.36 0.11 -4.82 117.98 126.42 1p8a s PHE 109 Ca 0.28 -1.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.12 1p8a s PHE 109 Cb -0.13 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 1p8a s PHE 109 CO 0.20 -0.67 0.00 0.09 -1.46 0.00 0.00 175.22 173.38 1p8a n ASN 110 N 4.91 -8.20 -4.79 6.13 4.13 -1.26 -4.70 115.26 111.48 1p8a n ASN 110 Ca -0.12 1.15 -0.29 0.00 1.68 0.00 0.00 54.58 57.00 1p8a n ASN 110 Cb 0.46 -4.73 0.13 0.00 -1.54 0.00 0.00 39.78 34.09 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 -3.65 1.22 -0.22 3.52 0.04 -1.26 -4.83 135.00 129.82 1p8a s PRO 111 Ca 0.00 0.26 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 1p8a s PRO 111 Cb 0.00 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 1p8a s PRO 111 CO 0.00 -2.14 2.62 -0.35 0.04 0.00 0.00 177.00 177.17 1p8a n PRO 112 N -3.72 1.62 0.00 0.56 -0.04 -1.26 -3.36 135.00 128.80 1p8a n PRO 112 Ca 0.07 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1p8a n PRO 112 Cb 0.59 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 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 2.91 0.00 0.08 3.54 5.15 -1.26 -4.98 115.26 120.70 1p8a n ASN 113 Ca 0.35 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.28 1p8a n ASN 113 Cb 0.55 0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 40.05 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 -0.75 -7.13 8.20 0.00 -1.93 -3.36 103.07 98.10 1p8a h GLY 114 Ca 0.00 0.33 -0.74 0.00 0.00 0.00 0.00 47.33 46.91 1p8a h GLY 114 CO 0.00 -0.26 -0.16 0.14 0.00 0.00 0.00 176.54 176.26 1p8a s VAL 115 N -3.68 5.13 -0.33 4.60 1.01 -1.26 -4.91 120.40 120.96 1p8a s VAL 115 Ca -0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 1p8a s VAL 115 Cb 0.01 -4.35 0.19 0.00 0.00 0.00 0.00 36.38 32.24 1p8a s VAL 115 CO 0.14 -0.89 1.03 -0.62 0.00 0.00 0.00 175.10 174.77 1p8a s ASP 116 N 3.48 -0.39 -0.13 3.32 2.15 -1.26 -4.77 116.67 119.07 1p8a s ASP 116 Ca 0.05 -0.24 -0.07 0.00 0.43 0.00 0.00 52.55 52.72 1p8a s ASP 116 Cb -0.28 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 42.89 1p8a s ASP 116 CO 0.04 -0.04 0.30 -1.81 -0.17 0.00 0.00 175.17 173.50 1p8a s ASP 117 N 1.80 -0.35 0.00 -0.34 1.11 -1.26 -5.00 116.67 112.63 1p8a s ASP 117 Ca 0.16 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.54 1p8a s ASP 117 Cb 0.04 0.53 0.00 0.00 1.07 0.00 0.00 42.92 44.57 1p8a s ASP 117 CO -0.14 -0.17 0.00 -0.81 1.18 0.00 0.00 175.17 175.23 1p8a n PRO 118 N 4.20 0.00 -0.59 8.23 -0.04 -1.26 -4.66 135.00 140.88 1p8a n PRO 118 Ca -0.24 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1p8a n PRO 118 Cb 0.54 -0.18 -0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1p8a n PRO 118 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p8a n TYR 119 N 0.00 0.00 -1.92 0.54 4.01 -1.26 -4.84 117.16 113.69 1p8a n TYR 119 Ca 0.00 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 1p8a n TYR 119 Cb 0.00 0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1p8a n TYR 119 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1p8a s TYR 120 N 0.00 1.76 0.00 -0.72 5.04 -1.26 -4.75 117.35 117.41 1p8a s TYR 120 Ca 0.02 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1p8a s TYR 120 Cb 0.02 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1p8a s TYR 120 CO -0.01 -3.96 0.00 0.45 -1.34 0.00 0.00 175.55 170.69 1p8a n SER 121 N 8.26 0.00 -2.53 4.32 2.88 -1.26 -3.86 113.62 121.43 1p8a n SER 121 Ca 0.20 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.67 1p8a n SER 121 Cb 0.43 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.19 2.53 -1.88 -3.46 3.41 -1.26 -4.86 113.62 106.91 1p8a n SER 122 Ca 0.00 -2.55 -0.18 0.00 -0.26 0.00 0.00 58.87 55.88 1p8a n SER 122 Cb 0.00 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.60 4.29 0.00 4.04 2.03 -1.25 -4.23 116.55 120.82 1p8a n ASP 123 Ca 0.18 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.34 1p8a n ASP 123 Cb 0.86 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.51 0.00 0.33 0.27 0.00 -1.26 -4.39 105.19 99.63 1p8a n GLY 124 Ca 0.41 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.34 0.30 1.61 0.04 -1.92 2.76 116.94 119.39 1p8a h PHE 125 Ca 0.00 0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1p8a h PHE 125 Cb 0.78 0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1p8a h PHE 125 CO 0.00 -0.39 -0.15 -1.00 -0.60 0.00 0.00 178.31 176.17 1p8a h PRO 126 N 0.01 -0.39 0.18 1.51 0.13 -1.86 -3.02 132.00 128.56 1p8a h PRO 126 Ca 0.48 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.63 1p8a h PRO 126 Cb 0.82 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1p8a h PRO 126 CO -0.92 -0.09 -0.09 1.15 -0.23 0.00 0.00 178.00 177.82 1p8a h THR 127 N -0.98 0.80 -0.55 1.56 2.02 -1.46 -0.90 112.91 113.40 1p8a h THR 127 Ca -0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1p8a h THR 127 Cb 0.49 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 1p8a h THR 127 CO 0.07 0.00 -0.37 -0.03 0.37 0.00 0.00 175.52 175.56 1p8a h MET 128 N -0.25 -0.05 -0.83 6.66 -1.53 0.47 0.37 114.93 119.76 1p8a h MET 128 Ca -0.02 0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.31 1p8a h MET 128 Cb 0.20 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.20 1p8a h MET 128 CO 0.03 -0.04 0.50 0.35 0.14 0.00 0.00 176.91 177.90 1p8a h PHE 129 N -0.06 0.93 -0.46 1.39 3.57 -1.45 0.26 116.94 121.13 1p8a h PHE 129 Ca 0.09 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1p8a h PHE 129 Cb 0.28 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1p8a h PHE 129 CO -0.93 0.45 -0.46 0.00 -2.23 0.00 0.00 178.31 175.14 1p8a h ALA 130 N 1.41 -0.48 -0.17 2.41 0.00 0.11 -0.29 119.26 122.25 1p8a h ALA 130 Ca 0.37 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1p8a h ALA 130 Cb 0.22 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1p8a h ALA 130 CO -0.19 -0.90 -0.34 0.66 0.00 0.00 0.00 179.25 178.48 1p8a h SER 131 N -0.31 0.60 -1.19 0.00 4.64 -0.71 0.16 113.55 116.73 1p8a h SER 131 Ca 0.14 -0.55 0.41 0.00 -0.47 0.00 0.00 61.79 61.32 1p8a h SER 131 Cb 0.58 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.36 1p8a h SER 131 CO -0.62 1.04 0.73 0.40 -0.87 0.00 0.00 176.83 177.51 1p8a h ILE 132 N 0.18 0.13 0.03 0.95 1.08 0.48 -0.77 117.51 119.58 1p8a h ILE 132 Ca 0.01 -0.04 -0.39 0.00 -0.39 0.00 0.00 64.86 64.05 1p8a h ILE 132 Cb 0.94 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 1p8a h ILE 132 CO 0.08 0.02 -2.31 -1.54 -0.69 0.00 0.00 178.15 173.71 1p8a n SER 133 N -4.89 2.00 -0.29 1.72 3.41 -0.21 -4.02 113.62 111.35 1p8a n SER 133 Ca 0.36 0.06 0.09 0.00 -0.26 0.00 0.00 58.87 59.12 1p8a n SER 133 Cb 1.32 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 64.87 1p8a n SER 133 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p8a h LYS 134 N -0.22 0.11 -1.13 4.33 3.64 0.68 0.26 116.57 124.24 1p8a h LYS 134 Ca -0.55 -0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.14 1p8a h LYS 134 Cb 1.84 -0.03 -0.31 0.00 -0.41 0.00 0.00 32.23 33.33 1p8a h LYS 134 CO -0.12 0.08 0.68 0.39 -2.27 0.00 0.00 179.45 178.21 1p8a n GLU 135 N -5.34 2.82 0.00 1.90 1.02 -0.52 -4.34 120.64 116.18 1p8a n GLU 135 Ca 0.18 -3.45 0.02 0.00 -0.02 0.00 0.00 57.16 53.89 1p8a n GLU 135 Cb 0.59 -2.28 0.01 0.00 -0.02 0.00 0.00 31.44 29.73 1p8a n GLU 135 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1p8a n MET 136 N -0.83 1.04 -0.04 3.49 2.81 0.93 -4.38 117.12 120.15 1p8a n MET 136 Ca 0.59 -0.57 -0.04 0.00 -1.81 0.00 0.00 57.70 55.86 1p8a n MET 136 Cb 0.63 -0.99 -0.01 0.00 -0.71 0.00 0.00 33.22 32.14 1p8a n MET 136 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1p8a n LYS 137 N -0.07 0.26 0.00 0.03 5.02 -1.26 -4.45 118.16 117.69 1p8a n LYS 137 Ca 0.02 0.10 0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1p8a n LYS 137 Cb 0.09 -0.91 0.57 0.00 -0.02 0.00 0.00 35.03 34.77 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 -3.61 0.68 -0.01 1.97 -0.04 -1.26 -2.12 135.00 130.61 1p8a n PRO 138 Ca -0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1p8a n PRO 138 Cb 0.25 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1p8a n PRO 138 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1p8a h PHE 139 N 0.00 0.00 0.00 0.54 3.57 -1.80 -3.35 116.94 115.90 1p8a h PHE 139 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1p8a h PHE 139 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1p8a h PHE 139 CO 0.00 0.00 -0.26 1.37 -2.23 0.00 0.00 178.31 177.19 1p8a h LEU 140 N -0.14 0.00 -0.71 0.59 8.10 -1.78 -0.31 115.31 121.06 1p8a h LEU 140 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.00 1p8a h LEU 140 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.24 1p8a h LEU 140 CO 0.00 0.26 0.46 0.74 -4.11 0.00 0.00 178.44 175.79 1p8a h THR 141 N 0.00 1.17 0.04 0.15 2.02 -1.64 -2.81 112.91 111.84 1p8a h THR 141 Ca -0.00 -0.32 -0.37 0.00 0.77 0.00 0.00 66.41 66.49 1p8a h THR 141 Cb 0.90 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1p8a h THR 141 CO 0.03 0.17 -2.24 -0.62 0.37 0.00 0.00 175.52 173.24 1p8a n GLU 142 N -4.61 0.69 -0.12 6.66 1.02 -1.20 -4.00 120.64 119.08 1p8a n GLU 142 Ca 0.07 0.17 0.26 0.00 -0.02 0.00 0.00 57.16 57.64 1p8a n GLU 142 Cb 0.03 -1.61 0.54 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.07 -3.42 115.15 114.23 1p8a h HIS 143 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1p8a h HIS 143 Cb 2.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.48 1p8a h HIS 143 CO 0.04 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.24 1p8a n GLY 144 N -1.65 0.41 0.42 2.45 0.00 -1.19 -5.06 105.19 100.58 1p8a n GLY 144 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1p8a n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 0.00 -1.07 -5.02 117.00 111.90 1p8a n LEU 145 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 56.01 55.10 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1p8a n LEU 145 CO 0.00 0.77 0.24 2.30 0.00 0.00 0.00 177.39 180.70