#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 3.60 0.23 0.00 0.00 -1.26 -5.00 121.76 119.32 1p8a s ALA 2 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1p8a s ALA 2 Cb 0.00 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 1p8a s ALA 2 CO 0.00 -1.31 0.00 -1.91 0.00 0.00 0.00 175.76 172.54 1p8a n GLU 3 N 6.77 1.44 -4.98 0.00 4.07 -1.26 -5.15 120.64 121.53 1p8a n GLU 3 Ca 0.14 -1.66 -0.31 0.00 -0.06 0.00 0.00 57.16 55.28 1p8a n GLU 3 Cb 0.45 0.45 -0.15 0.00 -0.06 0.00 0.00 31.44 32.13 1p8a n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1p8a s LYS 4 N -2.82 1.93 0.00 5.31 0.00 -1.26 -4.76 119.74 118.14 1p8a s LYS 4 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.93 1p8a s LYS 4 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 37.83 35.80 1p8a s LYS 4 CO 0.00 0.53 0.00 1.63 0.00 0.00 0.00 175.35 177.51 1p8a n LYS 5 N 1.94 0.38 -3.15 1.78 5.02 -1.26 -4.89 118.16 117.98 1p8a n LYS 5 Ca -0.17 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.18 1p8a n LYS 5 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.52 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 -2.24 -4.07 0.03 7.82 0.00 -1.26 -0.03 121.76 122.01 1p8a s ALA 6 Ca 0.00 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1p8a s ALA 6 Cb 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.29 1p8a s ALA 6 CO 0.00 -1.90 0.53 0.08 0.00 0.00 0.00 175.76 174.47 1p8a s VAL 7 N 2.97 4.86 -0.82 0.00 1.01 -0.46 -1.22 120.40 126.73 1p8a s VAL 7 Ca 0.17 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 1p8a s VAL 7 Cb -0.04 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.58 1p8a s VAL 7 CO -0.18 0.53 1.12 -0.22 0.00 0.00 0.00 175.10 176.35 1p8a s LEU 8 N -0.86 4.45 -0.61 3.92 2.96 0.14 0.25 118.68 128.93 1p8a s LEU 8 Ca 0.28 -1.45 -0.28 0.00 -0.22 0.00 0.00 54.13 52.46 1p8a s LEU 8 Cb -0.18 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.09 1p8a s LEU 8 CO 0.17 -1.33 1.31 -0.36 -1.32 0.00 0.00 176.35 174.82 1p8a s PHE 9 N 3.75 2.40 0.28 5.38 0.08 0.17 0.25 117.98 130.29 1p8a s PHE 9 Ca 0.31 0.35 0.08 0.00 0.12 0.00 0.00 56.93 57.79 1p8a s PHE 9 Cb -0.09 -4.49 -0.06 0.00 -0.57 0.00 0.00 43.02 37.82 1p8a s PHE 9 CO -0.00 -1.85 -0.11 0.08 -0.10 0.00 0.00 175.22 173.24 1p8a s VAL 10 N 5.61 1.95 0.14 -0.44 1.01 -0.37 -1.13 120.40 127.18 1p8a s VAL 10 Ca 0.45 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1p8a s VAL 10 Cb -0.09 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1p8a s VAL 10 CO 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 175.10 174.98 1p8a n LEU 12 N -2.85 0.00 0.00 0.00 -0.00 -1.26 -4.56 117.00 108.33 1p8a n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1p8a n GLY 13 N 0.00 0.02 2.54 -3.96 0.00 -1.26 -4.82 105.19 97.71 1p8a n GLY 13 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.20 0.00 1.61 5.15 -1.25 -4.42 115.26 112.15 1p8a n ASN 14 Ca 0.00 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1p8a n ASN 14 Cb 0.00 -2.89 0.00 0.00 -0.53 0.00 0.00 39.78 36.36 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 -3.87 0.00 -3.02 -1.44 5.41 -1.26 -4.35 119.36 110.83 1p8a n ILE 15 Ca -0.02 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.30 1p8a n ILE 15 Cb 0.54 -0.09 -0.06 0.00 -0.71 0.00 0.00 39.64 39.33 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 6.63 0.00 -0.08 0.00 1.74 -1.26 -4.64 116.66 119.05 1p8a n ARG 17 Ca -0.01 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.92 1p8a n ARG 17 Cb 0.47 -2.79 -0.11 0.00 -1.02 0.00 0.00 32.46 29.01 1p8a n ARG 17 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1p8a h SER 18 N 0.00 0.00 0.00 0.55 0.02 -1.86 -3.33 113.55 108.93 1p8a h SER 18 Ca 0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1p8a h SER 18 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1p8a h SER 18 CO 0.00 1.13 0.00 -0.81 -1.14 0.00 0.00 176.83 176.01 1p8a n PRO 19 N -4.56 0.76 0.00 3.45 -0.04 -1.26 -2.75 135.00 130.60 1p8a n PRO 19 Ca -0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1p8a n PRO 19 Cb 0.50 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.83 2.96 -0.01 0.55 0.00 -1.25 -4.29 120.51 117.65 1p8a n ALA 20 Ca 0.12 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1p8a n ALA 20 Cb 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 0.46 1.02 0.10 0.00 4.81 -1.75 -0.80 114.58 118.43 1p8a h GLU 22 Ca 0.00 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1p8a h GLU 22 Cb 1.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1p8a h GLU 22 CO 0.11 0.83 -0.05 0.78 -0.73 0.00 0.00 179.01 179.96 1p8a h GLY 23 N 1.07 -0.14 0.01 1.92 0.00 -1.69 -0.34 103.07 103.90 1p8a h GLY 23 Ca 0.23 0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.77 1p8a h GLY 23 CO -0.02 -0.05 0.26 1.19 0.00 0.00 0.00 176.54 177.92 1p8a h ILE 24 N -0.97 0.57 0.13 2.60 6.09 -1.21 -1.06 117.51 123.67 1p8a h ILE 24 Ca -0.01 -0.12 -0.01 0.00 -1.37 0.00 0.00 64.86 63.35 1p8a h ILE 24 Cb 0.44 0.18 0.00 0.00 0.47 0.00 0.00 36.82 37.91 1p8a h ILE 24 CO 0.02 0.07 -0.06 0.00 -3.07 0.00 0.00 178.15 175.11 1p8a h ARG 26 N -0.79 0.21 0.08 0.00 2.47 -0.51 0.44 114.38 116.28 1p8a h ARG 26 Ca -0.02 -0.01 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1p8a h ARG 26 Cb 0.54 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1p8a h ARG 26 CO 0.03 0.14 -1.38 -0.44 0.56 0.00 0.00 179.97 178.88 1p8a h ASP 27 N 0.22 0.26 -0.59 7.04 3.32 -1.20 0.53 116.42 126.01 1p8a h ASP 27 Ca 0.73 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.46 1p8a h ASP 27 Cb 1.70 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 41.13 1p8a h ASP 27 CO -0.67 1.28 0.37 -0.03 -1.72 0.00 0.00 179.24 178.47 1p8a h MET 28 N 0.05 0.72 0.00 3.56 4.05 0.20 -3.31 114.93 120.19 1p8a h MET 28 Ca -0.18 -0.04 -0.22 0.00 -0.28 0.00 0.00 59.70 58.98 1p8a h MET 28 Cb 1.95 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 32.55 1p8a h MET 28 CO 0.15 0.47 -1.83 0.28 0.23 0.00 0.00 176.91 176.22 1p8a n VAL 29 N -4.72 0.83 0.00 -5.77 0.31 -0.32 -5.05 118.33 103.61 1p8a n VAL 29 Ca 0.05 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1p8a n VAL 29 Cb 0.06 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 30 N 2.42 3.31 0.00 2.92 0.00 0.19 -4.93 105.19 109.09 1p8a n GLY 30 Ca -0.22 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.00 0.00 1.61 -0.08 -1.23 -4.62 116.55 112.22 1p8a n ASP 31 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1p8a n ASP 31 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 0.00 0.00 0.00 -0.67 5.02 -1.26 -5.14 118.16 116.11 1p8a n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1p8a n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1p8a n LEU 33 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.81 117.00 115.34 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 -4.04 -0.08 -6.64 0.95 -4.81 119.36 104.75 1p8a n ILE 34 Ca 0.00 0.00 -0.32 0.00 -1.77 0.00 0.00 62.75 60.66 1p8a n ILE 34 Cb 0.00 -0.40 -0.15 0.00 -1.44 0.00 0.00 39.64 37.64 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 -0.52 2.04 -0.35 7.28 1.01 -1.26 -1.36 121.20 128.04 1p8a s ILE 35 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.05 1p8a s ILE 35 Cb 0.00 -2.21 0.14 0.00 0.01 0.00 0.00 42.46 40.40 1p8a s ILE 35 CO 0.00 -0.09 0.26 -1.81 0.00 0.00 0.00 174.94 173.31 1p8a s ASP 36 N 1.15 2.35 0.27 3.58 1.01 0.14 -4.80 116.67 120.36 1p8a s ASP 36 Ca -0.07 -1.80 -0.29 0.00 0.71 0.00 0.00 52.55 51.09 1p8a s ASP 36 Cb -0.20 -0.02 -0.10 0.00 1.01 0.00 0.00 42.92 43.62 1p8a s ASP 36 CO -0.06 -0.31 1.27 -0.44 0.21 0.00 0.00 175.17 175.84 1p8a s SER 37 N 1.38 6.92 0.34 0.27 0.01 -1.26 0.46 113.70 121.82 1p8a s SER 37 Ca 0.16 2.50 -0.07 0.00 1.31 0.00 0.00 55.95 59.85 1p8a s SER 37 Cb -0.19 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.42 1p8a s SER 37 CO -0.06 -0.45 0.55 0.00 0.41 0.00 0.00 173.24 173.69 1p8a s ALA 38 N -0.69 0.23 -0.18 1.44 0.00 -0.28 -4.83 121.76 117.45 1p8a s ALA 38 Ca 0.51 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 1p8a s ALA 38 Cb -0.37 1.02 0.09 0.00 0.00 0.00 0.00 23.12 23.86 1p8a s ALA 38 CO 0.45 -0.85 0.80 0.00 0.00 0.00 0.00 175.76 176.16 1p8a s ALA 39 N -3.03 -1.83 -0.48 0.00 0.00 -1.26 -3.78 121.76 111.38 1p8a s ALA 39 Ca 0.25 1.69 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1p8a s ALA 39 Cb -0.02 -0.75 0.47 0.00 0.00 0.00 0.00 23.12 22.82 1p8a s ALA 39 CO 0.16 -0.33 1.65 -2.37 0.00 0.00 0.00 175.76 174.88 1p8a n THR 40 N 1.69 3.10 -3.06 0.00 5.66 -1.26 -1.92 114.28 118.49 1p8a n THR 40 Ca -0.15 -3.40 -0.00 0.00 -3.05 0.00 0.00 64.05 57.44 1p8a n THR 40 Cb 0.56 -1.07 -0.00 0.00 -1.55 0.00 0.00 70.33 68.27 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 -2.58 -1.46 -0.54 1.09 0.15 -1.26 -5.00 113.70 104.11 1p8a s SER 41 Ca 0.58 -1.03 -0.22 0.00 0.70 0.00 0.00 55.95 55.98 1p8a s SER 41 Cb 0.46 1.88 -0.20 0.00 -1.71 0.00 0.00 66.02 66.45 1p8a s SER 41 CO 0.01 -0.13 1.81 0.61 1.20 0.00 0.00 173.24 176.74 1p8a n GLY 42 N 3.95 2.02 0.49 9.45 0.00 -1.26 -4.31 105.19 115.53 1p8a n GLY 42 Ca 0.13 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 7.50 0.00 -3.02 1.61 3.01 -1.26 -4.85 117.46 120.44 1p8a n PHE 43 Ca 0.46 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.48 1p8a n PHE 43 Cb 0.37 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.37 3.23 0.14 1.38 3.76 -1.26 -4.99 115.29 115.17 1p8a s HIS 44 Ca -0.15 -1.45 0.01 0.00 -0.15 0.00 0.00 55.06 53.32 1p8a s HIS 44 Cb 0.02 -4.16 -0.04 0.00 1.11 0.00 0.00 32.58 29.50 1p8a s HIS 44 CO 0.22 -1.38 -0.02 0.08 -0.85 0.00 0.00 174.74 172.80 1p8a s VAL 45 N 2.21 0.59 -1.44 -0.90 1.01 -1.26 -4.82 120.40 115.80 1p8a s VAL 45 Ca 0.27 -1.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1p8a s VAL 45 Cb -0.08 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.43 1p8a s VAL 45 CO -0.07 -0.64 0.71 0.61 0.00 0.00 0.00 175.10 175.71 1p8a n GLY 46 N -0.14 -0.50 0.00 4.51 0.00 -1.26 -4.81 105.19 102.99 1p8a n GLY 46 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.18 0.00 -2.30 1.61 10.64 -1.26 -5.13 117.38 116.76 1p8a n GLN 47 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1p8a n GLN 47 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 1p8a n GLN 47 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1p8a n SER 48 N 0.00 -8.37 -4.56 2.61 7.64 -1.26 -4.68 113.62 105.00 1p8a n SER 48 Ca 0.00 1.75 -0.29 0.00 1.01 0.00 0.00 58.87 61.34 1p8a n SER 48 Cb 0.00 -4.77 -0.05 0.00 -1.01 0.00 0.00 64.21 58.38 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1p8a s PRO 49 N -0.52 2.54 -0.07 1.43 0.04 -1.26 -4.78 135.00 132.38 1p8a s PRO 49 Ca 0.00 -0.05 0.05 0.00 0.04 0.00 0.00 61.00 61.04 1p8a s PRO 49 Cb 0.00 -4.90 0.26 0.00 0.04 0.00 0.00 34.50 29.91 1p8a s PRO 49 CO 0.00 -3.26 0.93 -0.25 0.04 0.00 0.00 177.00 174.47 1p8a n ASP 50 N 13.83 2.43 0.14 6.66 9.92 -1.26 -3.88 116.55 144.38 1p8a n ASP 50 Ca 0.36 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 1p8a n ASP 50 Cb 0.48 -0.52 0.13 0.00 -0.64 0.00 0.00 41.12 40.57 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1p8a h THR 51 N 1.32 1.23 0.06 -3.53 2.02 -1.98 -1.19 112.91 110.85 1p8a h THR 51 Ca 0.00 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 1p8a h THR 51 Cb 0.92 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1p8a h THR 51 CO 0.15 0.60 -0.03 0.03 0.37 0.00 0.00 175.52 176.64 1p8a h ARG 52 N 0.00 -0.08 -0.01 6.66 3.08 -1.99 0.78 114.38 122.82 1p8a h ARG 52 Ca -0.01 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p8a h ARG 52 Cb 1.24 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1p8a h ARG 52 CO 0.08 0.47 0.01 1.03 -1.07 0.00 0.00 179.97 180.49 1p8a h SER 53 N -0.71 0.02 -0.97 7.04 0.87 -1.82 -1.13 113.55 116.84 1p8a h SER 53 Ca -0.01 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1p8a h SER 53 Cb 0.59 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 1p8a h SER 53 CO 0.01 0.19 0.62 -0.61 -0.53 0.00 0.00 176.83 176.51 1p8a h GLN 54 N -0.15 1.30 0.22 2.24 4.15 -1.30 -0.06 115.11 121.51 1p8a h GLN 54 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1p8a h GLN 54 Cb 0.18 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1p8a h GLN 54 CO -0.00 0.88 -0.11 -0.22 -1.93 0.00 0.00 178.83 177.45 1p8a h LYS 55 N 1.33 -0.30 -1.09 1.69 1.63 -0.53 -1.09 116.57 118.21 1p8a h LYS 55 Ca 0.35 0.02 0.30 0.00 -0.85 0.00 0.00 60.65 60.47 1p8a h LYS 55 Cb -0.11 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.51 1p8a h LYS 55 CO -0.07 -0.20 0.73 0.28 -3.45 0.00 0.00 179.45 176.74 1p8a h VAL 56 N -0.31 0.47 0.37 2.00 2.07 -1.16 0.12 116.25 119.81 1p8a h VAL 56 Ca -0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1p8a h VAL 56 Cb 0.24 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1p8a h VAL 56 CO 0.05 0.04 -0.26 0.00 0.02 0.00 0.00 177.57 177.42 1p8a h LYS 58 N -0.62 0.00 0.00 0.00 3.64 0.41 1.08 116.57 121.08 1p8a h LYS 58 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1p8a h LYS 58 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1p8a h LYS 58 CO 0.02 0.02 -0.52 0.45 -2.27 0.00 0.00 179.45 177.14 1p8a n SER 59 N -3.12 0.62 -0.03 4.20 2.88 0.09 -4.15 113.62 114.12 1p8a n SER 59 Ca -0.00 0.10 -0.03 0.00 -1.33 0.00 0.00 58.87 57.61 1p8a n SER 59 Cb 0.27 0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.96 3.68 0.00 -3.46 5.03 0.18 -5.03 115.26 113.70 1p8a n ASN 60 Ca 0.04 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 1p8a n ASN 60 Cb 0.41 0.58 0.00 0.00 -1.02 0.00 0.00 39.78 39.75 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 61 N 2.71 0.27 3.63 7.41 0.00 0.35 -5.07 105.19 114.49 1p8a n GLY 61 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.68 -0.39 1.61 1.01 0.37 -4.59 120.40 117.72 1p8a s VAL 62 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1p8a s VAL 62 Cb 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 36.38 35.47 1p8a s VAL 62 CO 0.00 0.00 0.20 -0.62 0.00 0.00 0.00 175.10 174.69 1p8a s ASP 63 N 2.50 5.45 0.00 3.32 -1.08 -1.26 -3.75 116.67 121.84 1p8a s ASP 63 Ca -0.07 -1.54 0.00 0.00 -0.52 0.00 0.00 52.55 50.42 1p8a s ASP 63 Cb -0.10 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.45 1p8a s ASP 63 CO -0.19 -0.48 0.00 2.30 0.52 0.00 0.00 175.17 177.32 1p8a n ILE 64 N 4.81 0.00 0.06 4.11 -5.35 -1.26 -4.13 119.36 117.61 1p8a n ILE 64 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1p8a n ILE 64 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1p8a n SER 65 N 0.00 -1.16 -3.89 7.28 7.64 -1.26 -5.09 113.62 117.14 1p8a n SER 65 Ca 0.00 0.38 -0.11 0.00 1.01 0.00 0.00 58.87 60.15 1p8a n SER 65 Cb 0.00 1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 64.41 1p8a n SER 65 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1p8a s LYS 66 N -1.52 0.27 -0.51 1.43 -0.14 -1.26 -5.07 119.74 112.94 1p8a s LYS 66 Ca 0.00 -0.26 0.06 0.00 -1.36 0.00 0.00 55.97 54.41 1p8a s LYS 66 Cb 0.00 0.11 0.37 0.00 -1.68 0.00 0.00 37.83 36.63 1p8a s LYS 66 CO 0.00 -0.05 0.98 1.04 -0.76 0.00 0.00 175.35 176.56 1p8a n GLN 67 N 2.14 3.07 -1.20 1.68 1.13 -1.26 -4.97 117.38 117.97 1p8a n GLN 67 Ca -0.19 -4.60 -0.41 0.00 -1.94 0.00 0.00 57.00 49.86 1p8a n GLN 67 Cb 0.57 -2.17 -0.06 0.00 0.11 0.00 0.00 30.24 28.68 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 -0.28 1.34 -1.48 -1.09 0.63 -1.26 -4.91 116.66 109.62 1p8a n ARG 68 Ca 0.32 -1.83 -0.51 0.00 -0.92 0.00 0.00 57.85 54.92 1p8a n ARG 68 Cb 0.51 -2.98 -0.04 0.00 0.45 0.00 0.00 32.46 30.39 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 8.62 -2.44 -2.25 5.13 0.00 -1.26 -4.96 120.51 123.34 1p8a n ALA 69 Ca 0.49 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 54.33 1p8a n ALA 69 Cb 0.41 -1.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.00 1p8a n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1p8a s ARG 70 N -0.66 0.57 0.49 0.00 1.70 -1.26 -4.72 118.95 115.07 1p8a s ARG 70 Ca 0.72 -1.11 -0.23 0.00 -0.47 0.00 0.00 55.73 54.64 1p8a s ARG 70 Cb -0.98 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 33.53 1p8a s ARG 70 CO 0.56 -0.11 1.31 -1.14 -1.08 0.00 0.00 175.30 174.84 1p8a s GLN 71 N -3.53 3.48 -0.12 3.89 0.74 -1.26 -4.30 119.66 118.56 1p8a s GLN 71 Ca 0.03 2.14 -0.20 0.00 0.05 0.00 0.00 55.36 57.38 1p8a s GLN 71 Cb 0.05 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 1p8a s GLN 71 CO -0.09 -0.88 0.56 -1.50 -0.55 0.00 0.00 175.29 172.83 1p8a s ILE 72 N -1.34 5.12 0.00 -2.34 2.07 -0.81 -4.92 121.20 118.99 1p8a s ILE 72 Ca 0.66 1.13 0.00 0.00 -1.41 0.00 0.00 60.65 61.03 1p8a s ILE 72 Cb -0.38 -3.90 0.00 0.00 0.13 0.00 0.00 42.46 38.31 1p8a s ILE 72 CO 0.46 0.27 0.00 0.35 -1.91 0.00 0.00 174.94 174.11 1p8a n THR 73 N 3.89 0.00 0.53 4.00 -2.24 -1.26 -4.98 114.28 114.23 1p8a n THR 73 Ca -0.04 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1p8a n THR 73 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 2.28 0.23 -0.78 5.02 -1.26 -4.43 118.16 119.22 1p8a n LYS 74 Ca 0.00 -0.50 0.12 0.00 -2.02 0.00 0.00 58.31 55.91 1p8a n LYS 74 Cb 0.00 -1.11 0.38 0.00 -0.02 0.00 0.00 35.03 34.27 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 1.95 0.97 -1.35 7.82 0.00 -1.97 -3.22 119.26 123.46 1p8a h ALA 75 Ca 0.00 -0.09 0.39 0.00 0.00 0.00 0.00 54.91 55.21 1p8a h ALA 75 Cb 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1p8a h ALA 75 CO 0.00 0.13 1.06 0.38 0.00 0.00 0.00 179.25 180.82 1p8a h ASP 76 N 0.00 0.00 0.08 0.00 2.03 -1.95 2.16 116.42 118.75 1p8a h ASP 76 Ca -0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1p8a h ASP 76 Cb 0.84 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.35 1p8a h ASP 76 CO 0.01 0.00 -0.51 -0.26 -1.03 0.00 0.00 179.24 177.45 1p8a h PHE 77 N 0.00 0.35 -0.48 4.15 0.04 -1.91 -3.31 116.94 115.79 1p8a h PHE 77 Ca 0.64 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1p8a h PHE 77 Cb 2.76 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.89 1p8a h PHE 77 CO 0.00 1.18 0.00 0.45 -0.60 0.00 0.00 178.31 179.34 1p8a n SER 78 N -4.31 2.89 -0.60 2.17 2.88 0.92 -3.92 113.62 113.65 1p8a n SER 78 Ca -0.12 -1.96 0.10 0.00 -1.33 0.00 0.00 58.87 55.56 1p8a n SER 78 Cb 0.69 -0.32 0.03 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.09 1.62 0.00 -1.46 3.00 0.70 -5.01 118.16 118.10 1p8a n LYS 79 Ca 0.18 -1.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.23 1p8a n LYS 79 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 34.11 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 0.45 0.00 0.00 5.64 3.01 -1.25 -4.99 117.46 120.32 1p8a n PHE 80 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1p8a n PHE 80 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 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 2.92 -4.05 4.37 9.92 -1.11 -4.80 116.55 123.81 1p8a n ASP 81 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1p8a n ASP 81 Cb 0.00 0.40 -0.11 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.43 0.45 -0.19 2.53 1.01 -0.36 -2.48 120.40 119.94 1p8a s VAL 82 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1p8a s VAL 82 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1p8a s VAL 82 CO 0.00 -0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 173.88 1p8a s ILE 83 N -1.60 1.74 -0.28 2.22 1.09 0.13 0.24 121.20 124.75 1p8a s ILE 83 Ca -0.09 -0.94 -0.09 0.00 -1.10 0.00 0.00 60.65 58.42 1p8a s ILE 83 Cb -0.09 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.56 1p8a s ILE 83 CO -0.00 0.30 0.14 0.00 -0.10 0.00 0.00 174.94 175.28 1p8a s ALA 84 N 1.38 3.34 -0.31 9.38 0.00 0.14 -0.13 121.76 135.56 1p8a s ALA 84 Ca 0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.73 1p8a s ALA 84 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1p8a s ALA 84 CO -0.10 -0.62 0.08 0.00 0.00 0.00 0.00 175.76 175.12 1p8a s ALA 85 N 1.68 3.02 0.00 0.00 0.00 -0.38 -1.24 121.76 124.83 1p8a s ALA 85 Ca 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1p8a s ALA 85 Cb -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1p8a s ALA 85 CO 0.07 -1.10 0.26 1.28 0.00 0.00 0.00 175.76 176.28 1p8a n LEU 86 N 4.82 0.00 -4.70 0.00 4.32 -0.44 -1.18 117.00 119.83 1p8a n LEU 86 Ca -0.14 0.26 -0.31 0.00 -0.02 0.00 0.00 56.01 55.80 1p8a n LEU 86 Cb 0.46 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.41 1p8a n LEU 86 CO 0.31 0.00 0.69 -1.81 -1.22 0.00 0.00 177.39 175.36 1p8a s ASP 87 N -2.03 3.34 0.29 -1.43 1.01 -1.26 -4.11 116.67 112.48 1p8a s ASP 87 Ca 0.00 2.11 0.07 0.00 0.71 0.00 0.00 52.55 55.43 1p8a s ASP 87 Cb 0.00 -2.56 0.43 0.00 1.01 0.00 0.00 42.92 41.80 1p8a s ASP 87 CO 0.00 -2.82 1.68 1.56 0.21 0.00 0.00 175.17 175.80 1p8a h GLN 88 N -1.64 0.22 -1.00 8.23 4.20 -1.93 -3.00 115.11 120.19 1p8a h GLN 88 Ca -0.43 -0.11 0.16 0.00 0.06 0.00 0.00 58.65 58.32 1p8a h GLN 88 Cb 1.26 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.95 1p8a h GLN 88 CO 0.44 0.63 0.61 0.77 -0.67 0.00 0.00 178.83 180.61 1p8a h SER 89 N 0.18 0.84 0.13 1.46 0.02 -1.94 0.20 113.55 114.44 1p8a h SER 89 Ca 0.01 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1p8a h SER 89 Cb 0.87 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1p8a h SER 89 CO 0.07 0.37 -0.06 0.40 -1.14 0.00 0.00 176.83 176.47 1p8a h ILE 90 N 0.86 1.00 -0.60 3.27 2.04 -1.81 0.51 117.51 122.78 1p8a h ILE 90 Ca 0.54 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1p8a h ILE 90 Cb 0.70 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1p8a h ILE 90 CO -0.33 0.13 0.34 0.25 0.00 0.00 0.00 178.15 178.54 1p8a h LEU 91 N -0.44 0.74 -0.10 1.44 5.85 -1.41 0.67 115.31 122.06 1p8a h LEU 91 Ca -0.02 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1p8a h LEU 91 Cb 0.35 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1p8a h LEU 91 CO 0.03 0.60 0.02 -1.28 -0.34 0.00 0.00 178.44 177.47 1p8a h SER 92 N 0.81 0.15 0.50 1.25 0.87 -0.59 -2.12 113.55 114.42 1p8a h SER 92 Ca 0.21 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1p8a h SER 92 Cb 0.02 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1p8a h SER 92 CO -0.04 0.35 -0.24 0.44 -0.53 0.00 0.00 176.83 176.82 1p8a h ASP 93 N -0.06 -0.56 -1.12 6.23 5.19 -0.73 -2.04 116.42 123.33 1p8a h ASP 93 Ca 0.03 0.02 0.39 0.00 -0.62 0.00 0.00 57.03 56.85 1p8a h ASP 93 Cb 0.26 0.15 -0.15 0.00 0.18 0.00 0.00 39.33 39.77 1p8a h ASP 93 CO 0.00 -0.33 0.67 -0.29 -3.12 0.00 0.00 179.24 176.17 1p8a h ILE 94 N -0.81 0.17 0.00 0.35 2.10 -0.96 2.07 117.51 120.43 1p8a h ILE 94 Ca -0.07 -0.05 -0.06 0.00 1.08 0.00 0.00 64.86 65.76 1p8a h ILE 94 Cb 0.51 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.23 1p8a h ILE 94 CO 0.11 0.03 -0.29 -1.13 -1.08 0.00 0.00 178.15 175.79 1p8a h ASN 95 N 0.16 0.00 0.17 2.19 -0.73 -1.22 -1.24 115.58 114.90 1p8a h ASN 95 Ca 0.79 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.96 1p8a h ASN 95 Cb 2.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.74 1p8a h ASN 95 CO -0.56 0.29 0.00 -0.24 -0.37 0.00 0.00 177.43 176.55 1p8a n SER 96 N -3.45 0.00 0.00 1.15 2.88 0.70 -3.48 113.62 111.41 1p8a n SER 96 Ca -0.00 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1p8a n SER 96 Cb 0.47 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1p8a n SER 96 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1p8a n MET 97 N -1.10 2.26 -1.54 -1.46 0.00 -0.97 -5.05 117.12 109.26 1p8a n MET 97 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.45 1p8a n MET 97 Cb 0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 33.22 32.45 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 -1.47 1.01 0.00 3.17 5.02 -0.51 -4.97 118.16 120.41 1p8a n LYS 98 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1p8a n LYS 98 Cb 0.21 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 0.50 1.06 -0.03 1.97 -0.04 -1.26 -4.99 135.00 132.21 1p8a n PRO 99 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1p8a n PRO 99 Cb 0.36 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 1.88 -3.39 3.54 7.64 -1.26 -4.92 113.62 117.11 1p8a n SER 100 Ca 0.00 -1.49 -0.13 0.00 1.01 0.00 0.00 58.87 58.27 1p8a n SER 100 Cb 0.00 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.72 0.73 0.14 6.43 0.01 -1.26 -5.15 114.94 115.13 1p8a s ASN 101 Ca 0.10 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 1p8a s ASN 101 Cb 0.07 0.84 0.00 0.00 0.41 0.00 0.00 41.25 42.57 1p8a s ASN 101 CO 0.10 -0.32 0.20 0.00 -1.51 0.00 0.00 177.10 175.57 1p8a n ARG 103 N -0.23 1.19 -4.37 0.00 0.00 -1.26 -5.05 116.66 106.95 1p8a n ARG 103 Ca -0.00 -1.80 -0.25 0.00 -0.00 0.00 0.00 57.85 55.80 1p8a n ARG 103 Cb 0.23 -1.07 -0.09 0.00 -0.00 0.00 0.00 32.46 31.53 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 -1.56 2.90 0.23 2.89 0.00 -1.26 -4.87 121.76 120.09 1p8a s ALA 104 Ca 0.15 -1.68 0.10 0.00 0.00 0.00 0.00 51.96 50.53 1p8a s ALA 104 Cb 0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1p8a s ALA 104 CO 0.01 0.34 -0.10 0.21 0.00 0.00 0.00 175.76 176.23 1p8a s LYS 105 N -3.29 2.02 -0.23 0.00 2.20 -1.03 -4.98 119.74 114.42 1p8a s LYS 105 Ca 0.28 -1.43 0.01 0.00 -0.36 0.00 0.00 55.97 54.47 1p8a s LYS 105 Cb -0.07 -2.06 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1p8a s LYS 105 CO 0.16 0.39 -0.12 0.08 -0.36 0.00 0.00 175.35 175.50 1p8a s VAL 106 N -2.05 2.34 0.10 4.02 1.01 -1.26 0.22 120.40 124.78 1p8a s VAL 106 Ca 0.28 -1.25 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1p8a s VAL 106 Cb -0.07 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1p8a s VAL 106 CO 0.16 0.21 -0.25 0.68 0.00 0.00 0.00 175.10 175.90 1p8a s VAL 107 N 1.22 2.05 0.38 2.92 -7.23 0.81 -4.95 120.40 115.60 1p8a s VAL 107 Ca -0.02 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 1p8a s VAL 107 Cb -0.17 -1.81 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 1p8a s VAL 107 CO -0.07 0.13 0.77 -0.22 -0.31 0.00 0.00 175.10 175.40 1p8a s LEU 108 N -1.75 3.91 -0.30 1.32 2.96 -1.26 -1.25 118.68 122.31 1p8a s LEU 108 Ca 0.11 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1p8a s LEU 108 Cb -0.10 -4.07 0.06 0.00 0.50 0.00 0.00 46.19 42.58 1p8a s LEU 108 CO 0.04 -0.33 -0.01 0.12 -1.32 0.00 0.00 176.35 174.85 1p8a s PHE 109 N -2.23 3.29 0.56 5.38 5.36 -0.32 -4.76 117.98 125.26 1p8a s PHE 109 Ca 0.53 -2.01 0.00 0.00 -0.96 0.00 0.00 56.93 54.48 1p8a s PHE 109 Cb -0.10 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 1p8a s PHE 109 CO 0.26 -0.83 0.00 -1.71 -1.46 0.00 0.00 175.22 171.48 1p8a n ASN 110 N 4.57 -7.41 -4.34 6.13 5.15 -1.26 -4.49 115.26 113.61 1p8a n ASN 110 Ca -0.12 1.49 -0.29 0.00 -0.60 0.00 0.00 54.58 55.05 1p8a n ASN 110 Cb 0.43 -4.78 0.18 0.00 -0.53 0.00 0.00 39.78 35.08 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1p8a s PRO 111 N -4.77 0.35 -0.26 1.20 0.04 -1.26 -4.81 135.00 125.49 1p8a s PRO 111 Ca 0.00 0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 1p8a s PRO 111 Cb 0.00 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 1p8a s PRO 111 CO 0.00 -2.68 2.60 -0.35 0.04 0.00 0.00 177.00 176.61 1p8a n PRO 112 N -4.04 1.66 0.00 0.56 -0.04 -1.26 -3.46 135.00 128.42 1p8a n PRO 112 Ca 0.11 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1p8a n PRO 112 Cb 0.59 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.97 0.00 0.00 3.54 5.15 -1.26 -5.04 115.26 120.62 1p8a n ASN 113 Ca 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1p8a n ASN 113 Cb 0.53 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1p8a n GLY 114 N 0.62 -1.96 3.52 8.20 0.00 -1.22 -4.34 105.19 109.99 1p8a n GLY 114 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1p8a n GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p8a n VAL 115 N 0.00 0.09 -2.29 1.61 0.24 -1.26 -4.68 118.33 112.05 1p8a n VAL 115 Ca 0.00 -0.46 -0.01 0.00 -2.04 0.00 0.00 64.34 61.83 1p8a n VAL 115 Cb 0.00 -2.10 -0.02 0.00 -1.47 0.00 0.00 33.84 30.25 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1p8a n ASP 116 N 12.53 0.17 -4.48 -1.34 2.03 -1.26 -4.89 116.55 119.32 1p8a n ASP 116 Ca 0.41 -1.99 -0.53 0.00 0.52 0.00 0.00 54.79 53.19 1p8a n ASP 116 Cb 0.36 -0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 1p8a n ASP 116 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1p8a n ASP 117 N 0.29 2.04 0.00 1.67 -0.08 -1.26 -4.89 116.55 114.32 1p8a n ASP 117 Ca -0.08 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1p8a n ASP 117 Cb 0.96 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1p8a n ASP 117 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1p8a n PRO 118 N 7.48 0.00 0.00 -0.67 -0.04 -1.26 -4.93 135.00 135.58 1p8a n PRO 118 Ca 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1p8a n PRO 118 Cb 0.17 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.00 0.54 4.01 -1.26 -5.04 117.16 115.41 1p8a n TYR 119 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1p8a n TYR 119 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1p8a n TYR 120 N 0.00 -0.19 -3.91 -0.72 4.19 -1.26 -5.12 117.16 110.15 1p8a n TYR 120 Ca 0.00 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.99 1p8a n TYR 120 Cb 0.00 0.35 -0.05 0.00 0.49 0.00 0.00 39.34 40.13 1p8a n TYR 120 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 1p8a s SER 121 N -4.10 4.87 -0.21 2.98 0.01 -1.26 -5.00 113.70 110.98 1p8a s SER 121 Ca 0.00 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1p8a s SER 121 Cb 0.00 -0.70 0.25 0.00 0.21 0.00 0.00 66.02 65.78 1p8a s SER 121 CO 0.00 -0.44 1.55 -1.54 0.41 0.00 0.00 173.24 173.22 1p8a n SER 122 N -1.31 4.12 -0.74 2.44 3.41 -1.26 -4.30 113.62 115.97 1p8a n SER 122 Ca -0.01 -2.75 0.03 0.00 -0.26 0.00 0.00 58.87 55.88 1p8a n SER 122 Cb 0.62 -0.75 0.11 0.00 -0.26 0.00 0.00 64.21 63.92 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 0.00 2.00 -0.01 4.04 2.03 -1.26 -3.91 116.55 119.44 1p8a n ASP 123 Ca 0.25 -2.18 -0.01 0.00 0.52 0.00 0.00 54.79 53.36 1p8a n ASP 123 Cb 0.87 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.41 -0.02 0.30 0.27 0.00 -1.26 -4.28 105.19 100.61 1p8a n GLY 124 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.02 -0.17 0.17 1.61 0.04 -1.89 2.29 116.94 118.96 1p8a h PHE 125 Ca -0.03 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1p8a h PHE 125 Cb 1.04 0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1p8a h PHE 125 CO -0.00 -0.32 -0.08 -1.00 -0.60 0.00 0.00 178.31 176.31 1p8a h PRO 126 N 0.05 -0.22 0.35 1.51 0.13 -1.84 -3.05 132.00 128.93 1p8a h PRO 126 Ca 0.45 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.58 1p8a h PRO 126 Cb 0.79 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1p8a h PRO 126 CO -0.78 0.20 -0.17 1.15 -0.23 0.00 0.00 178.00 178.17 1p8a h THR 127 N -0.86 0.66 -0.39 1.56 2.02 -1.51 -0.43 112.91 113.96 1p8a h THR 127 Ca -0.02 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1p8a h THR 127 Cb 0.52 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1p8a h THR 127 CO 0.04 0.04 -0.28 -0.03 0.37 0.00 0.00 175.52 175.66 1p8a h MET 128 N -0.58 -0.06 -0.62 6.66 -1.53 0.37 0.12 114.93 119.29 1p8a h MET 128 Ca -0.05 0.00 0.06 0.00 -3.44 0.00 0.00 59.70 56.28 1p8a h MET 128 Cb 0.43 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.44 1p8a h MET 128 CO 0.08 -0.04 0.31 0.35 0.14 0.00 0.00 176.91 177.76 1p8a h PHE 129 N -0.06 0.57 -0.60 1.39 3.04 -1.54 0.27 116.94 120.02 1p8a h PHE 129 Ca 0.06 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.10 1p8a h PHE 129 Cb 0.23 -0.17 -0.10 0.00 2.56 0.00 0.00 35.95 38.48 1p8a h PHE 129 CO -0.88 0.25 -0.56 0.00 -2.02 0.00 0.00 178.31 175.10 1p8a h ALA 130 N 1.34 -0.68 -0.25 2.41 0.00 0.94 -0.76 119.26 122.27 1p8a h ALA 130 Ca 0.28 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1p8a h ALA 130 Cb 0.22 1.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1p8a h ALA 130 CO -0.20 -1.01 -0.38 0.77 0.00 0.00 0.00 179.25 178.43 1p8a h SER 131 N -0.27 0.77 -0.98 0.00 0.02 -0.85 0.41 113.55 112.65 1p8a h SER 131 Ca 0.11 -0.51 0.32 0.00 -0.84 0.00 0.00 61.79 60.87 1p8a h SER 131 Cb 0.54 -0.22 -0.17 0.00 0.14 0.00 0.00 62.40 62.69 1p8a h SER 131 CO -0.71 1.13 0.31 0.40 -1.14 0.00 0.00 176.83 176.82 1p8a h ILE 132 N 0.43 0.09 0.01 3.27 1.08 0.72 0.12 117.51 123.23 1p8a h ILE 132 Ca 0.02 -0.03 -0.39 0.00 -0.39 0.00 0.00 64.86 64.08 1p8a h ILE 132 Cb 0.97 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 1p8a h ILE 132 CO 0.09 0.01 -2.44 -0.24 -0.69 0.00 0.00 178.15 174.88 1p8a n SER 133 N -5.31 1.99 0.22 1.72 2.88 -0.41 -3.79 113.62 110.92 1p8a n SER 133 Ca 0.29 -0.09 0.12 0.00 -1.33 0.00 0.00 58.87 57.86 1p8a n SER 133 Cb 0.96 -0.47 0.63 0.00 -0.75 0.00 0.00 64.21 64.59 1p8a n SER 133 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 134 N -0.04 0.00 -0.07 -1.46 3.64 0.53 0.31 116.57 119.48 1p8a h LYS 134 Ca -0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1p8a h LYS 134 Cb 1.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 1p8a h LYS 134 CO -0.09 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 175.18 1p8a n GLU 135 N -2.42 2.17 -0.02 1.90 4.07 0.34 -4.57 120.64 122.11 1p8a n GLU 135 Ca -0.02 -2.25 0.07 0.00 -0.06 0.00 0.00 57.16 54.91 1p8a n GLU 135 Cb 0.22 -1.38 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 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 -0.85 0.64 -0.02 5.31 1.56 0.11 -3.85 117.12 120.02 1p8a n MET 136 Ca 0.12 -0.15 -0.18 0.00 -0.27 0.00 0.00 57.70 57.21 1p8a n MET 136 Cb 0.54 -1.44 -0.14 0.00 2.15 0.00 0.00 33.22 34.33 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1p8a h LYS 137 N 0.00 0.15 0.00 2.12 1.57 -1.80 -2.20 116.57 116.41 1p8a h LYS 137 Ca -0.06 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1p8a h LYS 137 Cb 1.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1p8a h LYS 137 CO 0.00 1.12 0.00 -0.35 -0.57 0.00 0.00 179.45 179.65 1p8a n PRO 138 N -4.31 0.67 0.00 3.15 -0.04 -1.26 -3.00 135.00 130.20 1p8a n PRO 138 Ca -0.16 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1p8a n PRO 138 Cb 0.69 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.13 0.00 -0.21 0.54 -0.00 -1.24 -4.30 117.46 111.12 1p8a n PHE 139 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1p8a n PHE 139 Cb 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.71 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 0.00 -0.49 -2.06 -2.13 5.85 -1.57 1.48 115.31 116.38 1p8a h LEU 140 Ca 0.00 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1p8a h LEU 140 Cb 0.00 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1p8a h LEU 140 CO 0.00 -0.18 0.12 0.74 -0.34 0.00 0.00 178.44 178.78 1p8a h THR 141 N 0.04 0.84 -0.30 1.05 2.02 -1.63 -0.90 112.91 114.02 1p8a h THR 141 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1p8a h THR 141 Cb 0.50 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1p8a h THR 141 CO -0.62 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 174.65 1p8a n GLU 142 N -4.37 2.16 0.00 6.66 1.02 0.20 -4.12 120.64 122.19 1p8a n GLU 142 Ca 0.01 -1.94 0.12 0.00 -0.02 0.00 0.00 57.16 55.32 1p8a n GLU 142 Cb 0.25 -1.35 0.11 0.00 -0.02 0.00 0.00 31.44 30.43 1p8a n GLU 142 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1p8a n HIS 143 N 0.92 0.00 0.00 -0.32 -0.00 0.45 -4.89 115.22 111.38 1p8a n HIS 143 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1p8a n HIS 143 Cb 0.46 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.27 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 1.42 1.52 0.00 1.57 0.00 -1.20 -5.04 105.19 103.47 1p8a n GLY 144 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 4.77 -1.08 -4.62 117.00 117.06 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06