#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 4.08 0.25 0.00 0.00 -1.26 -5.14 121.76 119.70 1p8a s ALA 2 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1p8a s ALA 2 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1p8a s ALA 2 CO 0.00 -0.25 0.37 -2.00 0.00 0.00 0.00 175.76 173.89 1p8a s GLU 3 N -4.06 3.39 0.00 0.00 2.12 -1.26 -5.11 118.70 113.78 1p8a s GLU 3 Ca 0.29 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1p8a s GLU 3 Cb 0.01 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1p8a s GLU 3 CO 0.17 0.38 0.00 1.17 -0.54 0.00 0.00 175.26 176.44 1p8a n LYS 4 N -1.44 1.09 -0.47 4.30 3.00 -1.26 -5.10 118.16 118.28 1p8a n LYS 4 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1p8a n LYS 4 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 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 0.00 0.00 -3.65 1.64 5.02 -1.26 -5.00 118.16 114.91 1p8a n LYS 5 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1p8a n LYS 5 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.09 -0.56 -0.20 7.82 0.00 -1.26 0.42 121.76 126.89 1p8a s ALA 6 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1p8a s ALA 6 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 1p8a s ALA 6 CO 0.00 -0.68 -0.09 0.08 0.00 0.00 0.00 175.76 175.07 1p8a s VAL 7 N 2.42 3.02 -0.95 0.00 1.01 -0.27 -0.96 120.40 124.66 1p8a s VAL 7 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1p8a s VAL 7 Cb -0.12 -2.34 0.22 0.00 0.00 0.00 0.00 36.38 34.14 1p8a s VAL 7 CO -0.09 0.47 0.97 -0.22 0.00 0.00 0.00 175.10 176.22 1p8a s LEU 8 N 1.26 6.26 0.37 3.92 2.96 0.32 -0.24 118.68 133.52 1p8a s LEU 8 Ca 0.03 -2.85 -0.26 0.00 -0.22 0.00 0.00 54.13 50.83 1p8a s LEU 8 Cb -0.14 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1p8a s LEU 8 CO -0.04 -0.59 1.12 0.72 -1.32 0.00 0.00 176.35 176.23 1p8a s PHE 9 N 0.31 3.26 0.04 5.38 -0.12 0.89 -1.38 117.98 126.36 1p8a s PHE 9 Ca 0.25 1.62 -0.04 0.00 -0.05 0.00 0.00 56.93 58.71 1p8a s PHE 9 Cb -0.09 -3.29 -0.02 0.00 -0.63 0.00 0.00 43.02 39.00 1p8a s PHE 9 CO -0.08 -0.91 0.06 0.08 -0.05 0.00 0.00 175.22 174.32 1p8a s VAL 10 N -1.42 0.15 0.28 -2.49 1.01 0.56 -1.28 120.40 117.20 1p8a s VAL 10 Ca 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1p8a s VAL 10 Cb -0.28 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1p8a s VAL 10 CO 0.36 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 174.79 1p8a n LEU 12 N -3.43 -2.06 -0.44 0.00 -0.00 -1.26 -4.60 117.00 105.20 1p8a n LEU 12 Ca 0.00 0.48 0.04 0.00 -0.00 0.00 0.00 56.01 56.53 1p8a n LEU 12 Cb 0.00 2.12 0.06 0.00 -0.00 0.00 0.00 43.42 45.60 1p8a n LEU 12 CO 0.00 -0.14 0.35 0.61 -0.00 0.00 0.00 177.39 178.22 1p8a n GLY 13 N -1.06 2.36 2.44 -3.96 0.00 -1.26 -3.60 105.19 100.11 1p8a n GLY 13 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1p8a n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p8a n ASN 14 N -0.53 -4.90 0.00 1.61 4.13 -1.26 -4.58 115.26 109.73 1p8a n ASN 14 Ca 0.07 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1p8a n ASN 14 Cb 0.72 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1p8a n ILE 15 N -2.75 0.00 -3.92 2.41 5.41 -1.26 -4.24 119.36 115.01 1p8a n ILE 15 Ca -0.16 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.23 1p8a n ILE 15 Cb 0.54 -0.54 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 4.39 0.00 -0.32 0.00 1.74 -1.26 -4.48 116.66 116.74 1p8a n ARG 17 Ca -0.16 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.93 1p8a n ARG 17 Cb 0.52 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.04 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 -1.02 0.44 0.55 0.02 -1.86 2.34 113.55 114.02 1p8a h SER 18 Ca 0.00 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1p8a h SER 18 Cb 0.00 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1p8a h SER 18 CO 0.00 -0.30 0.00 -0.81 -1.14 0.00 0.00 176.83 174.58 1p8a n PRO 19 N -5.53 0.18 0.05 3.45 -0.04 -1.26 -2.48 135.00 129.37 1p8a n PRO 19 Ca 0.11 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 1p8a n PRO 19 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.35 2.49 0.13 0.55 0.00 0.78 -4.18 120.51 118.92 1p8a n ALA 20 Ca 0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1p8a n ALA 20 Cb 0.17 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.88 0.20 0.09 0.00 4.81 -1.75 0.27 114.58 117.32 1p8a h GLU 22 Ca -0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1p8a h GLU 22 Cb 0.51 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1p8a h GLU 22 CO 0.06 0.13 -0.04 0.78 -0.73 0.00 0.00 179.01 179.21 1p8a h GLY 23 N 0.21 -0.13 0.80 1.92 0.00 -1.69 -1.33 103.07 102.84 1p8a h GLY 23 Ca 0.75 0.05 0.13 0.00 0.00 0.00 0.00 47.33 48.25 1p8a h GLY 23 CO -0.44 -0.05 0.48 1.19 0.00 0.00 0.00 176.54 177.72 1p8a h ILE 24 N -0.77 0.84 0.10 2.60 6.09 0.42 -0.34 117.51 126.44 1p8a h ILE 24 Ca -0.01 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1p8a h ILE 24 Cb 0.58 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.22 1p8a h ILE 24 CO 0.02 0.08 -0.05 0.00 -3.07 0.00 0.00 178.15 175.13 1p8a h ARG 26 N -0.79 0.11 0.00 0.00 3.08 -0.72 0.31 114.38 116.38 1p8a h ARG 26 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1p8a h ARG 26 Cb 0.57 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1p8a h ARG 26 CO 0.02 0.07 -0.48 -0.44 -1.07 0.00 0.00 179.97 178.07 1p8a h ASP 27 N 0.12 0.00 -0.65 7.04 3.32 -1.06 0.42 116.42 125.61 1p8a h ASP 27 Ca 0.19 -0.08 0.19 0.00 0.02 0.00 0.00 57.03 57.35 1p8a h ASP 27 Cb 0.62 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1p8a h ASP 27 CO -0.02 0.80 0.61 -0.03 -1.72 0.00 0.00 179.24 178.87 1p8a h MET 28 N -1.00 0.00 0.00 3.56 4.05 -0.14 -1.86 114.93 119.54 1p8a h MET 28 Ca -0.04 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.11 1p8a h MET 28 Cb 0.52 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.27 1p8a h MET 28 CO -0.02 0.00 -2.01 0.28 0.23 0.00 0.00 176.91 175.39 1p8a n VAL 29 N -3.83 1.01 0.00 -5.77 0.31 0.09 -5.05 118.33 105.09 1p8a n VAL 29 Ca 0.13 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1p8a n VAL 29 Cb 0.85 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 2.30 2.34 1.67 2.92 0.00 0.15 -4.71 105.19 109.85 1p8a n GLY 30 Ca -0.27 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.38 0.00 1.61 2.03 -1.14 -4.43 116.55 114.24 1p8a n ASP 31 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1p8a n ASP 31 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1p8a n LYS 32 N -0.37 0.00 0.00 -0.67 4.01 -1.26 -5.10 118.16 114.78 1p8a n LYS 32 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1p8a n LYS 32 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1p8a n LEU 33 N 0.00 0.00 -2.04 -0.35 4.77 -1.26 -4.97 117.00 113.15 1p8a n LEU 33 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1p8a n LEU 33 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1p8a n LEU 33 CO 0.00 0.00 -0.01 2.30 -1.33 0.00 0.00 177.39 178.35 1p8a n ILE 34 N 0.00 0.00 -3.42 -0.08 -6.64 0.17 -4.81 119.36 104.58 1p8a n ILE 34 Ca 0.00 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.54 1p8a n ILE 34 Cb 0.00 -0.04 -0.07 0.00 -1.44 0.00 0.00 39.64 38.09 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 -1.48 4.89 -0.00 7.28 1.09 -1.26 -1.12 121.20 130.60 1p8a s ILE 35 Ca 0.07 -1.39 0.02 0.00 -1.10 0.00 0.00 60.65 58.24 1p8a s ILE 35 Cb -0.04 -4.06 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1p8a s ILE 35 CO 0.08 -0.70 -0.06 -1.81 -0.10 0.00 0.00 174.94 172.35 1p8a s ASP 36 N 2.89 0.65 0.03 3.58 1.01 0.67 -4.87 116.67 120.63 1p8a s ASP 36 Ca 0.04 -0.13 0.07 0.00 0.71 0.00 0.00 52.55 53.24 1p8a s ASP 36 Cb -0.26 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 1p8a s ASP 36 CO 0.03 0.05 -0.21 -0.55 0.21 0.00 0.00 175.17 174.70 1p8a s SER 37 N -0.22 2.50 0.19 0.27 0.15 -1.26 -0.07 113.70 115.25 1p8a s SER 37 Ca 0.01 -0.48 -0.07 0.00 0.70 0.00 0.00 55.95 56.11 1p8a s SER 37 Cb -0.03 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1p8a s SER 37 CO -0.00 0.19 0.28 0.00 1.20 0.00 0.00 173.24 174.91 1p8a s ALA 38 N -0.71 0.29 0.04 5.45 0.00 -0.40 -4.82 121.76 121.61 1p8a s ALA 38 Ca 0.08 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 1p8a s ALA 38 Cb -0.09 1.03 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1p8a s ALA 38 CO 0.01 -0.67 0.47 0.00 0.00 0.00 0.00 175.76 175.57 1p8a s ALA 39 N -4.03 -1.19 -0.48 0.00 0.00 -1.25 -3.96 121.76 110.84 1p8a s ALA 39 Ca 0.24 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1p8a s ALA 39 Cb 0.04 0.35 0.17 0.00 0.00 0.00 0.00 23.12 23.68 1p8a s ALA 39 CO 0.05 -0.48 0.37 -0.08 0.00 0.00 0.00 175.76 175.62 1p8a s THR 40 N -2.41 0.99 0.00 0.00 -1.32 -1.24 -4.03 115.64 107.64 1p8a s THR 40 Ca -0.06 -3.01 0.00 0.00 -1.21 0.00 0.00 61.69 57.42 1p8a s THR 40 Cb -0.01 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1p8a s THR 40 CO -0.02 -1.16 0.00 -0.24 -2.21 0.00 0.00 174.62 170.99 1p8a n SER 41 N 2.70 0.00 0.00 8.08 2.88 -1.26 -4.96 113.62 121.07 1p8a n SER 41 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1p8a n SER 41 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.74 1.74 0.03 0.46 0.00 -1.26 -5.02 105.19 100.41 1p8a n GLY 42 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 0.00 -3.86 1.61 3.72 -1.26 -4.87 117.46 112.21 1p8a n PHE 43 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1p8a n PHE 43 Cb 0.00 -0.26 -0.13 0.00 -0.94 0.00 0.00 39.48 38.15 1p8a n PHE 43 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1p8a s HIS 44 N -2.13 3.09 -0.09 1.38 2.46 -1.26 -5.05 115.29 113.68 1p8a s HIS 44 Ca -0.07 -3.11 -0.06 0.00 0.47 0.00 0.00 55.06 52.28 1p8a s HIS 44 Cb 0.02 -2.52 0.03 0.00 -0.13 0.00 0.00 32.58 29.99 1p8a s HIS 44 CO 0.18 -0.65 0.23 0.08 -2.47 0.00 0.00 174.74 172.10 1p8a s VAL 45 N -0.79 -0.02 -1.59 0.89 1.01 -1.26 -4.33 120.40 114.32 1p8a s VAL 45 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1p8a s VAL 45 Cb -0.13 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1p8a s VAL 45 CO -0.10 0.03 0.45 0.61 0.00 0.00 0.00 175.10 176.09 1p8a n GLY 46 N 3.52 -0.52 2.69 4.51 0.00 -1.26 -4.85 105.19 109.29 1p8a n GLY 46 Ca -0.18 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.76 0.92 -3.67 1.61 10.64 -1.26 -5.13 117.38 116.73 1p8a n GLN 47 Ca -0.14 -1.54 -0.09 0.00 -1.83 0.00 0.00 57.00 53.40 1p8a n GLN 47 Cb 0.63 -0.15 -0.09 0.00 -0.86 0.00 0.00 30.24 29.77 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1p8a s SER 48 N -0.95 -0.68 -0.43 2.61 0.15 -1.26 -5.05 113.70 108.09 1p8a s SER 48 Ca 0.18 1.14 -0.28 0.00 0.70 0.00 0.00 55.95 57.69 1p8a s SER 48 Cb 0.31 1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 65.64 1p8a s SER 48 CO -0.07 -0.21 1.77 -2.16 1.20 0.00 0.00 173.24 173.76 1p8a s PRO 49 N 1.55 3.14 -0.16 5.44 0.04 -1.26 -4.85 135.00 138.90 1p8a s PRO 49 Ca -0.09 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.10 1p8a s PRO 49 Cb -0.07 -4.24 0.43 0.00 0.04 0.00 0.00 34.50 30.66 1p8a s PRO 49 CO -0.16 -2.10 1.26 -0.40 0.04 0.00 0.00 177.00 175.64 1p8a n ASP 50 N 10.89 3.55 0.16 6.66 5.75 -1.26 -4.11 116.55 138.19 1p8a n ASP 50 Ca 0.21 -2.60 0.02 0.00 -0.01 0.00 0.00 54.79 52.42 1p8a n ASP 50 Cb 0.49 -0.62 0.26 0.00 -1.03 0.00 0.00 41.12 40.21 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1p8a h THR 51 N 1.77 1.17 -0.04 2.12 2.02 -1.98 -1.54 112.91 116.43 1p8a h THR 51 Ca 0.09 -1.79 -0.12 0.00 0.77 0.00 0.00 66.41 65.36 1p8a h THR 51 Cb 1.49 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1p8a h THR 51 CO 0.35 0.48 -0.43 0.03 0.37 0.00 0.00 175.52 176.32 1p8a h ARG 52 N 0.00 0.36 0.31 6.66 2.47 -1.98 0.55 114.38 122.74 1p8a h ARG 52 Ca -0.00 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.36 1p8a h ARG 52 Cb 0.98 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1p8a h ARG 52 CO 0.06 1.00 -0.15 0.66 0.56 0.00 0.00 179.97 182.10 1p8a h SER 53 N -0.15 -0.35 -0.76 7.04 4.64 -1.82 -0.88 113.55 121.28 1p8a h SER 53 Ca -0.04 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1p8a h SER 53 Cb 1.11 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1p8a h SER 53 CO 0.09 -0.10 0.39 1.56 -0.87 0.00 0.00 176.83 177.90 1p8a h GLN 54 N -0.59 1.07 0.00 4.77 4.20 -1.38 -0.15 115.11 123.04 1p8a h GLN 54 Ca -0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1p8a h GLN 54 Cb 0.43 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1p8a h GLN 54 CO 0.07 0.82 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.82 1p8a h LYS 55 N 1.06 -0.01 -1.05 1.46 3.64 -0.72 -0.65 116.57 120.30 1p8a h LYS 55 Ca 0.26 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.92 1p8a h LYS 55 Cb 0.07 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.79 1p8a h LYS 55 CO -0.04 -0.01 0.67 0.28 -2.27 0.00 0.00 179.45 178.09 1p8a h VAL 56 N -0.01 0.49 -0.27 2.00 2.07 -1.15 0.25 116.25 119.63 1p8a h VAL 56 Ca -0.00 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1p8a h VAL 56 Cb 0.01 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 1p8a h VAL 56 CO -0.00 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 1p8a h LYS 58 N -0.04 0.00 0.00 0.00 1.63 0.92 0.48 116.57 119.56 1p8a h LYS 58 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1p8a h LYS 58 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1p8a h LYS 58 CO -0.30 0.26 -0.08 0.45 -3.45 0.00 0.00 179.45 176.33 1p8a n SER 59 N -3.44 0.53 -0.04 4.20 2.88 0.14 -3.82 113.62 114.08 1p8a n SER 59 Ca 0.00 0.47 -0.04 0.00 -1.33 0.00 0.00 58.87 57.97 1p8a n SER 59 Cb 0.45 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.97 3.00 0.00 -3.46 3.02 0.17 -5.04 115.26 110.97 1p8a n ASN 60 Ca 0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1p8a n ASN 60 Cb 0.40 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 40.18 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 61 N 2.55 2.04 3.64 7.41 0.00 0.17 -5.08 105.19 115.91 1p8a n GLY 61 Ca -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 1p8a n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8a s VAL 62 N 0.00 0.00 -0.00 1.61 0.11 -1.00 -4.94 120.40 116.18 1p8a s VAL 62 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1p8a s VAL 62 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1p8a s VAL 62 CO 0.00 0.00 -0.17 1.51 -3.33 0.00 0.00 175.10 173.11 1p8a s ASP 63 N -1.16 1.96 0.27 3.54 1.47 -1.26 -4.35 116.67 117.14 1p8a s ASP 63 Ca 0.09 -0.33 0.08 0.00 1.18 0.00 0.00 52.55 53.57 1p8a s ASP 63 Cb -0.01 -0.21 -0.06 0.00 -0.34 0.00 0.00 42.92 42.31 1p8a s ASP 63 CO -0.07 0.19 -0.09 0.27 0.68 0.00 0.00 175.17 176.15 1p8a s ILE 64 N -0.45 1.80 -0.09 2.11 -4.36 -1.26 -4.36 121.20 114.58 1p8a s ILE 64 Ca 0.06 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.32 1p8a s ILE 64 Cb -0.07 -2.39 -0.08 0.00 1.25 0.00 0.00 42.46 41.17 1p8a s ILE 64 CO -0.00 -0.35 -0.02 -0.24 0.24 0.00 0.00 174.94 174.57 1p8a n SER 65 N -0.58 3.13 -3.56 4.36 2.88 -1.26 -5.07 113.62 113.52 1p8a n SER 65 Ca -0.06 -0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.34 1p8a n SER 65 Cb 0.63 0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 64.37 1p8a n SER 65 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1p8a s LYS 66 N -2.19 0.70 -0.51 -1.46 0.00 -1.26 -5.10 119.74 109.92 1p8a s LYS 66 Ca -0.08 0.15 0.06 0.00 0.00 0.00 0.00 55.97 56.10 1p8a s LYS 66 Cb 0.03 0.33 0.21 0.00 0.00 0.00 0.00 37.83 38.40 1p8a s LYS 66 CO 0.28 -0.22 0.51 1.04 0.00 0.00 0.00 175.35 176.96 1p8a n GLN 67 N 0.74 1.14 -3.93 1.78 6.02 -1.26 -5.05 117.38 116.81 1p8a n GLN 67 Ca -0.12 -3.74 -0.30 0.00 -0.01 0.00 0.00 57.00 52.83 1p8a n GLN 67 Cb 0.58 -1.76 -0.16 0.00 1.02 0.00 0.00 30.24 29.92 1p8a n GLN 67 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1p8a s ARG 68 N -1.14 1.61 0.45 -1.09 3.52 -1.26 -5.00 118.95 116.03 1p8a s ARG 68 Ca 0.34 -0.89 -0.24 0.00 -0.13 0.00 0.00 55.73 54.81 1p8a s ARG 68 Cb 0.09 -2.48 -0.10 0.00 -1.56 0.00 0.00 34.95 30.90 1p8a s ARG 68 CO -0.13 -0.56 1.05 0.00 -0.81 0.00 0.00 175.30 174.85 1p8a n ALA 69 N 4.71 0.38 -2.73 6.12 0.00 -1.26 -4.92 120.51 122.80 1p8a n ALA 69 Ca -0.12 0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1p8a n ALA 69 Cb 0.45 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.04 1.47 0.00 0.00 1.85 -1.26 -4.84 116.66 113.84 1p8a n ARG 70 Ca 0.09 -2.42 0.00 0.00 -1.00 0.00 0.00 57.85 54.53 1p8a n ARG 70 Cb 0.40 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 1p8a n ARG 70 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1p8a n GLN 71 N -0.95 0.00 0.00 2.89 3.00 -1.26 -4.72 117.38 116.34 1p8a n GLN 71 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1p8a n GLN 71 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.08 1p8a n GLN 71 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1p8a n ILE 72 N -0.60 0.00 -1.24 5.09 3.06 -1.26 -3.93 119.36 120.48 1p8a n ILE 72 Ca 0.00 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.36 1p8a n ILE 72 Cb 0.00 -0.45 -0.06 0.00 0.54 0.00 0.00 39.64 39.67 1p8a n ILE 72 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1p8a n THR 73 N -2.40 -1.25 0.26 9.51 -1.04 -1.26 -3.51 114.28 114.58 1p8a n THR 73 Ca 0.00 0.92 0.13 0.00 -2.04 0.00 0.00 64.05 63.06 1p8a n THR 73 Cb 0.45 -1.44 0.67 0.00 -1.82 0.00 0.00 70.33 68.19 1p8a n THR 73 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1p8a h LYS 74 N -0.84 0.00 -0.08 -2.82 1.57 -2.00 -2.58 116.57 109.82 1p8a h LYS 74 Ca -0.12 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1p8a h LYS 74 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1p8a h LYS 74 CO 0.05 0.13 0.08 0.00 -0.57 0.00 0.00 179.45 179.14 1p8a h ALA 75 N 1.87 1.77 -1.09 3.86 0.00 -2.00 -2.00 119.26 121.66 1p8a h ALA 75 Ca -0.00 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.20 1p8a h ALA 75 Cb 0.47 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1p8a h ALA 75 CO 0.02 -0.12 0.72 0.38 0.00 0.00 0.00 179.25 180.25 1p8a h ASP 76 N 0.00 0.32 -0.10 0.00 2.03 -1.50 1.84 116.42 119.01 1p8a h ASP 76 Ca 0.04 0.07 -0.21 0.00 -0.73 0.00 0.00 57.03 56.19 1p8a h ASP 76 Cb 0.20 0.02 0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1p8a h ASP 76 CO -0.00 0.04 -0.74 -0.26 -1.03 0.00 0.00 179.24 177.25 1p8a h PHE 77 N 0.27 0.99 0.00 4.15 0.04 -1.60 -3.14 116.94 117.65 1p8a h PHE 77 Ca 0.60 -0.43 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1p8a h PHE 77 Cb 1.77 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.73 1p8a h PHE 77 CO -0.00 1.25 -1.01 0.77 -0.60 0.00 0.00 178.31 178.72 1p8a h SER 78 N 0.52 0.00 -1.02 2.17 0.02 -0.64 -3.35 113.55 111.25 1p8a h SER 78 Ca -0.04 -0.37 0.29 0.00 -0.84 0.00 0.00 61.79 60.83 1p8a h SER 78 Cb 1.36 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.86 1p8a h SER 78 CO 0.15 1.27 0.98 0.50 -1.14 0.00 0.00 176.83 178.59 1p8a h LYS 79 N -1.00 0.00 -4.92 3.45 1.63 0.25 -3.40 116.57 112.57 1p8a h LYS 79 Ca -0.24 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 59.15 1p8a h LYS 79 Cb 1.06 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.55 1p8a h LYS 79 CO -0.15 0.00 -0.58 -0.06 -3.45 0.00 0.00 179.45 175.21 1p8a s PHE 80 N -4.62 1.62 -0.01 1.91 0.08 -1.19 -4.92 117.98 110.85 1p8a s PHE 80 Ca -0.04 -1.26 0.04 0.00 0.12 0.00 0.00 56.93 55.79 1p8a s PHE 80 Cb 0.18 -0.93 -0.06 0.00 -0.57 0.00 0.00 43.02 41.64 1p8a s PHE 80 CO 0.60 -0.39 0.08 -0.25 -0.10 0.00 0.00 175.22 175.16 1p8a n ASP 81 N -0.75 4.17 -4.18 1.36 9.92 -1.15 -4.68 116.55 121.24 1p8a n ASP 81 Ca -0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1p8a n ASP 81 Cb 0.66 1.15 -0.16 0.00 -0.64 0.00 0.00 41.12 42.13 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 -2.25 1.48 0.04 2.53 1.01 -0.14 0.48 120.40 123.55 1p8a s VAL 82 Ca -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1p8a s VAL 82 Cb 0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1p8a s VAL 82 CO 0.15 0.42 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 1p8a s ILE 83 N -0.36 1.75 -0.17 2.22 1.09 1.00 -0.52 121.20 126.21 1p8a s ILE 83 Ca 0.05 -1.20 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 1p8a s ILE 83 Cb -0.08 -1.51 0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1p8a s ILE 83 CO -0.00 0.27 -0.15 0.00 -0.10 0.00 0.00 174.94 174.95 1p8a s ALA 84 N -0.77 2.04 -0.29 9.38 0.00 -0.48 -0.93 121.76 130.71 1p8a s ALA 84 Ca 0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 1p8a s ALA 84 Cb -0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1p8a s ALA 84 CO 0.02 -0.47 0.13 0.00 0.00 0.00 0.00 175.76 175.43 1p8a s ALA 85 N 1.40 3.24 0.00 0.00 0.00 -0.43 -0.32 121.76 125.65 1p8a s ALA 85 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1p8a s ALA 85 Cb -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1p8a s ALA 85 CO -0.11 -0.77 0.20 1.28 0.00 0.00 0.00 175.76 176.36 1p8a n LEU 86 N 4.96 0.21 0.00 0.00 4.32 -0.32 -0.41 117.00 125.75 1p8a n LEU 86 Ca -0.15 0.20 -0.23 0.00 -0.02 0.00 0.00 56.01 55.82 1p8a n LEU 86 Cb 0.50 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.48 1p8a n LEU 86 CO 0.33 0.00 0.55 0.47 -1.22 0.00 0.00 177.39 177.52 1p8a n ASP 87 N -0.24 -1.15 0.11 -1.43 8.00 -1.26 -3.71 116.55 116.86 1p8a n ASP 87 Ca 0.00 -1.15 -0.23 0.00 0.71 0.00 0.00 54.79 54.12 1p8a n ASP 87 Cb 0.00 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.17 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1p8a h GLN 88 N 0.00 0.54 -1.00 -1.24 4.20 -1.88 -3.29 115.11 112.43 1p8a h GLN 88 Ca -0.33 -0.82 0.37 0.00 0.06 0.00 0.00 58.65 57.93 1p8a h GLN 88 Cb 0.96 0.29 -0.17 0.00 0.30 0.00 0.00 27.48 28.86 1p8a h GLN 88 CO 0.22 1.38 0.52 0.77 -0.67 0.00 0.00 178.83 181.06 1p8a h SER 89 N 0.11 0.36 -0.08 1.46 0.02 -1.94 0.40 113.55 113.88 1p8a h SER 89 Ca -0.21 0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1p8a h SER 89 Cb 1.97 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.74 1p8a h SER 89 CO 0.24 -0.31 -0.06 0.40 -1.14 0.00 0.00 176.83 175.96 1p8a h ILE 90 N 0.13 1.35 -0.76 3.27 2.04 -1.85 0.17 117.51 121.86 1p8a h ILE 90 Ca 0.79 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1p8a h ILE 90 Cb 1.96 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.97 1p8a h ILE 90 CO -0.71 0.33 0.42 0.25 0.00 0.00 0.00 178.15 178.44 1p8a h LEU 91 N -0.23 0.95 -0.15 1.44 5.85 -0.46 -0.19 115.31 122.52 1p8a h LEU 91 Ca 0.01 -0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 1p8a h LEU 91 Cb 0.55 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.35 1p8a h LEU 91 CO 0.02 0.77 -0.75 -1.28 -0.34 0.00 0.00 178.44 176.86 1p8a h SER 92 N 1.05 0.92 0.59 1.25 0.87 -0.64 -3.06 113.55 114.54 1p8a h SER 92 Ca 0.27 -0.63 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1p8a h SER 92 Cb 0.03 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1p8a h SER 92 CO -0.04 1.40 -0.28 0.44 -0.53 0.00 0.00 176.83 177.81 1p8a h ASP 93 N 0.50 -0.67 -0.95 6.23 3.32 -0.44 -2.60 116.42 121.81 1p8a h ASP 93 Ca -0.05 0.02 0.29 0.00 0.02 0.00 0.00 57.03 57.32 1p8a h ASP 93 Cb 1.39 0.17 -0.16 0.00 0.22 0.00 0.00 39.33 40.95 1p8a h ASP 93 CO 0.16 -0.37 0.28 -0.29 -1.72 0.00 0.00 179.24 177.29 1p8a h ILE 94 N -1.02 0.16 -0.27 0.35 2.10 -1.16 1.50 117.51 119.16 1p8a h ILE 94 Ca -0.08 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 65.80 1p8a h ILE 94 Cb 0.61 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 1p8a h ILE 94 CO 0.13 0.02 0.08 -1.13 -1.08 0.00 0.00 178.15 176.17 1p8a h ASN 95 N 0.12 0.34 0.51 2.19 -0.73 -1.45 1.64 115.58 118.20 1p8a h ASN 95 Ca 0.65 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.79 1p8a h ASN 95 Cb 1.45 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.96 1p8a h ASN 95 CO -0.75 0.34 0.00 -1.20 -0.37 0.00 0.00 177.43 175.45 1p8a n SER 96 N -4.39 0.49 0.00 1.15 7.64 0.51 -3.15 113.62 115.87 1p8a n SER 96 Ca 0.01 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1p8a n SER 96 Cb 0.15 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1p8a n SER 96 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1p8a n MET 97 N -2.07 2.06 -1.45 1.43 0.00 -0.13 -5.05 117.12 111.91 1p8a n MET 97 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.25 1p8a n MET 97 Cb 0.17 -0.94 -0.02 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 -1.56 0.41 0.00 3.17 5.02 0.54 -4.95 118.16 120.79 1p8a n LYS 98 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1p8a n LYS 98 Cb 0.21 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.91 1.06 0.00 1.97 -0.04 -1.26 -4.98 135.00 132.67 1p8a n PRO 99 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1p8a n PRO 99 Cb 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.74 -3.26 3.54 7.64 -1.26 -4.94 113.62 116.07 1p8a n SER 100 Ca 0.00 -1.21 -0.11 0.00 1.01 0.00 0.00 58.87 58.56 1p8a n SER 100 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1p8a n SER 100 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1p8a s ASN 101 N -0.21 0.10 0.00 6.43 2.20 -1.26 -5.14 114.94 117.06 1p8a s ASN 101 Ca 0.00 -1.44 0.00 0.00 -0.94 0.00 0.00 52.86 50.48 1p8a s ASN 101 Cb 0.00 1.06 0.00 0.00 -2.00 0.00 0.00 41.25 40.31 1p8a s ASN 101 CO 0.00 -0.21 0.00 0.00 -2.94 0.00 0.00 177.10 173.95 1p8a n ARG 103 N 0.00 2.23 -4.31 0.00 0.00 -1.26 -5.08 116.66 108.24 1p8a n ARG 103 Ca 0.00 -3.81 -0.16 0.00 -0.00 0.00 0.00 57.85 53.87 1p8a n ARG 103 Cb 0.00 -1.73 -0.10 0.00 -0.00 0.00 0.00 32.46 30.63 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 -3.37 1.72 0.25 2.89 0.00 -1.26 -4.66 121.76 117.32 1p8a s ALA 104 Ca 0.37 -1.71 0.09 0.00 0.00 0.00 0.00 51.96 50.71 1p8a s ALA 104 Cb 0.42 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1p8a s ALA 104 CO -0.05 -0.24 -0.16 0.21 0.00 0.00 0.00 175.76 175.52 1p8a s LYS 105 N -3.85 1.51 -0.24 0.00 2.20 0.18 -4.96 119.74 114.57 1p8a s LYS 105 Ca 0.27 -1.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.18 1p8a s LYS 105 Cb 0.05 -1.41 0.07 0.00 -1.51 0.00 0.00 37.83 35.04 1p8a s LYS 105 CO 0.07 0.23 0.03 0.08 -0.36 0.00 0.00 175.35 175.40 1p8a s VAL 106 N -2.77 0.96 -0.01 4.02 1.01 -1.26 -0.00 120.40 122.35 1p8a s VAL 106 Ca 0.26 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1p8a s VAL 106 Cb -0.02 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1p8a s VAL 106 CO 0.11 -0.32 -0.04 0.68 0.00 0.00 0.00 175.10 175.53 1p8a s VAL 107 N 1.63 3.85 -0.36 2.92 -7.23 -0.11 -4.97 120.40 116.13 1p8a s VAL 107 Ca 0.01 -0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 59.26 1p8a s VAL 107 Cb -0.18 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1p8a s VAL 107 CO -0.12 0.42 0.93 -0.22 -0.31 0.00 0.00 175.10 175.80 1p8a s LEU 108 N -1.37 3.99 0.01 1.32 0.20 -1.26 -1.32 118.68 120.26 1p8a s LEU 108 Ca 0.17 0.64 -0.03 0.00 0.69 0.00 0.00 54.13 55.61 1p8a s LEU 108 Cb -0.11 -3.28 -0.01 0.00 -0.43 0.00 0.00 46.19 42.36 1p8a s LEU 108 CO 0.07 -0.84 1.04 -0.26 -0.29 0.00 0.00 176.35 176.08 1p8a h PHE 109 N 8.40 -0.12 -3.95 5.38 0.04 -0.93 -3.46 116.94 122.30 1p8a h PHE 109 Ca -0.23 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.43 1p8a h PHE 109 Cb 1.08 0.05 -0.12 0.00 2.20 0.00 0.00 35.95 39.16 1p8a h PHE 109 CO 0.83 -0.04 -0.33 -0.80 -0.60 0.00 0.00 178.31 177.37 1p8a s ASN 110 N -2.66 0.04 1.03 2.17 0.01 -1.24 -5.04 114.94 109.24 1p8a s ASN 110 Ca -0.01 -0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 51.02 1p8a s ASN 110 Cb 0.00 0.46 0.21 0.00 0.41 0.00 0.00 41.25 42.33 1p8a s ASN 110 CO 0.05 -0.93 1.18 -2.16 -1.51 0.00 0.00 177.10 173.72 1p8a s PRO 111 N -4.01 0.17 -0.29 -0.60 0.04 -1.26 -4.42 135.00 124.62 1p8a s PRO 111 Ca 0.21 -0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 1p8a s PRO 111 Cb 0.03 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.67 1p8a s PRO 111 CO 0.04 -2.79 2.44 -0.35 0.04 0.00 0.00 177.00 176.38 1p8a n PRO 112 N -4.12 1.59 0.00 0.56 -0.04 -1.26 -3.17 135.00 128.57 1p8a n PRO 112 Ca 0.11 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1p8a n PRO 112 Cb 0.59 -2.02 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 3.07 0.00 0.00 3.54 5.15 -1.26 -5.04 115.26 120.72 1p8a n ASN 113 Ca 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1p8a n ASN 113 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 0.11 -0.54 3.76 8.20 0.00 -1.19 -4.76 105.19 110.77 1p8a n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1p8a n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p8a s VAL 115 N 0.00 2.31 -0.08 1.61 -7.23 -1.26 -4.91 120.40 110.84 1p8a s VAL 115 Ca 0.00 0.28 -0.31 0.00 -1.81 0.00 0.00 61.98 60.14 1p8a s VAL 115 Cb 0.00 -3.18 0.08 0.00 0.56 0.00 0.00 36.38 33.84 1p8a s VAL 115 CO 0.00 0.05 0.75 -0.62 -0.31 0.00 0.00 175.10 174.97 1p8a s ASP 116 N 0.21 -0.61 -0.30 4.85 2.15 -1.26 -4.95 116.67 116.77 1p8a s ASP 116 Ca 0.58 0.69 -0.07 0.00 0.43 0.00 0.00 52.55 54.18 1p8a s ASP 116 Cb -0.45 0.54 0.18 0.00 -0.30 0.00 0.00 42.92 42.89 1p8a s ASP 116 CO 0.50 -0.54 0.87 -0.62 -0.17 0.00 0.00 175.17 175.21 1p8a s ASP 117 N -1.09 -0.84 0.00 -0.34 2.15 -1.26 -3.75 116.67 111.54 1p8a s ASP 117 Ca -0.09 0.44 0.21 0.00 0.43 0.00 0.00 52.55 53.54 1p8a s ASP 117 Cb -0.00 1.67 1.21 0.00 -0.30 0.00 0.00 42.92 45.50 1p8a s ASP 117 CO 0.08 -0.16 1.63 -0.81 -0.17 0.00 0.00 175.17 175.75 1p8a n PRO 118 N 5.42 0.59 -1.96 4.34 -0.04 -1.26 -4.84 135.00 137.25 1p8a n PRO 118 Ca -0.02 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1p8a n PRO 118 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.05 -0.45 0.00 0.54 4.01 -1.26 -4.78 117.16 114.17 1p8a n TYR 119 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1p8a n TYR 119 Cb 0.09 -3.54 0.00 0.00 -0.31 0.00 0.00 39.34 35.57 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 -3.20 0.00 -4.41 -0.72 9.36 -1.26 -5.11 117.16 111.83 1p8a n TYR 120 Ca -0.21 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 60.82 1p8a n TYR 120 Cb 0.66 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.33 1p8a n TYR 120 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1p8a n SER 121 N -2.04 2.17 -1.15 2.98 3.41 -1.26 -5.01 113.62 112.72 1p8a n SER 121 Ca 0.00 -2.39 -0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1p8a n SER 121 Cb 0.33 0.40 0.13 0.00 -0.26 0.00 0.00 64.21 64.81 1p8a n SER 121 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1p8a n SER 122 N -1.41 2.94 -3.57 4.04 2.88 -1.26 -4.57 113.62 112.68 1p8a n SER 122 Ca -0.09 -2.43 -0.41 0.00 -1.33 0.00 0.00 58.87 54.61 1p8a n SER 122 Cb 0.40 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1p8a n SER 122 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1p8a n ASP 123 N 0.14 7.39 0.00 -3.46 -0.08 -1.26 -3.91 116.55 115.37 1p8a n ASP 123 Ca 0.14 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1p8a n ASP 123 Cb 0.70 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.78 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 1.93 0.15 0.27 0.27 0.00 -1.25 -4.28 105.19 102.28 1p8a n GLY 124 Ca 0.57 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.61 -0.17 1.61 0.04 -1.81 0.69 116.94 116.69 1p8a h PHE 125 Ca 0.00 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 1p8a h PHE 125 Cb 0.00 0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1p8a h PHE 125 CO 0.00 -0.33 -0.40 -1.00 -0.60 0.00 0.00 178.31 175.97 1p8a h PRO 126 N -0.45 0.57 -0.48 1.51 0.13 -1.93 -3.17 132.00 128.18 1p8a h PRO 126 Ca 0.02 -0.39 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1p8a h PRO 126 Cb 0.45 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 1p8a h PRO 126 CO -0.10 1.01 0.15 1.15 -0.23 0.00 0.00 178.00 179.97 1p8a h THR 127 N 0.23 1.19 0.00 1.56 2.02 -1.86 0.37 112.91 116.42 1p8a h THR 127 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1p8a h THR 127 Cb 1.01 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1p8a h THR 127 CO 0.09 0.25 -0.00 -0.03 0.37 0.00 0.00 175.52 176.19 1p8a h MET 128 N 0.69 -0.00 -0.07 6.66 -1.53 0.43 0.18 114.93 121.29 1p8a h MET 128 Ca 0.16 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.39 1p8a h MET 128 Cb 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.25 1p8a h MET 128 CO -0.01 -0.00 -0.10 0.35 0.14 0.00 0.00 176.91 177.29 1p8a h PHE 129 N -0.00 0.11 -0.72 1.39 3.04 -1.61 -1.18 116.94 117.97 1p8a h PHE 129 Ca -0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 1p8a h PHE 129 Cb 0.00 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 1p8a h PHE 129 CO -0.21 0.22 0.47 0.00 -2.02 0.00 0.00 178.31 176.77 1p8a h ALA 130 N 1.79 1.77 0.12 2.41 0.00 -0.38 0.47 119.26 125.45 1p8a h ALA 130 Ca 0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1p8a h ALA 130 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p8a h ALA 130 CO 0.01 0.10 -1.60 0.77 0.00 0.00 0.00 179.25 178.53 1p8a h SER 131 N 0.69 0.40 -0.26 0.00 0.02 -0.19 0.31 113.55 114.52 1p8a h SER 131 Ca 0.32 -0.86 0.07 0.00 -0.84 0.00 0.00 61.79 60.48 1p8a h SER 131 Cb 0.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1p8a h SER 131 CO -0.11 1.70 0.23 0.40 -1.14 0.00 0.00 176.83 177.91 1p8a h ILE 132 N -0.21 0.60 0.00 3.27 2.04 -0.89 0.41 117.51 122.73 1p8a h ILE 132 Ca -0.34 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.16 1p8a h ILE 132 Cb 1.84 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.68 1p8a h ILE 132 CO 0.06 0.00 -2.33 -1.54 0.00 0.00 0.00 178.15 174.34 1p8a n SER 133 N -4.03 2.16 0.00 1.72 3.41 0.13 -3.76 113.62 113.25 1p8a n SER 133 Ca 0.03 -0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1p8a n SER 133 Cb 0.38 -0.39 0.64 0.00 -0.26 0.00 0.00 64.21 64.58 1p8a n SER 133 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1p8a n LYS 134 N -3.24 0.42 -0.18 4.33 4.81 0.10 -2.98 118.16 121.42 1p8a n LYS 134 Ca -0.42 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.13 1p8a n LYS 134 Cb 0.93 -1.50 0.09 0.00 0.02 0.00 0.00 35.03 34.57 1p8a n LYS 134 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1p8a n GLU 135 N -1.25 1.02 -0.24 1.64 -0.58 0.14 -4.68 120.64 116.70 1p8a n GLU 135 Ca 0.13 -1.99 0.10 0.00 -0.42 0.00 0.00 57.16 54.99 1p8a n GLU 135 Cb 0.18 -1.15 0.27 0.00 -0.57 0.00 0.00 31.44 30.17 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1p8a n MET 136 N -0.92 2.33 -0.08 3.49 1.56 -1.16 -4.25 117.12 118.09 1p8a n MET 136 Ca 0.10 -2.05 -0.20 0.00 -0.27 0.00 0.00 57.70 55.28 1p8a n MET 136 Cb 0.62 -1.47 -0.12 0.00 2.15 0.00 0.00 33.22 34.40 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 3.59 0.03 0.00 2.12 1.79 -1.83 -3.20 116.57 119.07 1p8a h LYS 137 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1p8a h LYS 137 Cb 0.81 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1p8a h LYS 137 CO 0.00 1.03 0.00 -0.35 -1.08 0.00 0.00 179.45 179.05 1p8a n PRO 138 N -4.41 0.95 -0.08 3.15 -0.04 -1.26 -2.28 135.00 131.04 1p8a n PRO 138 Ca -0.25 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.04 1p8a n PRO 138 Cb 0.66 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.63 0.00 0.59 0.54 -0.00 -1.25 -4.32 117.46 112.38 1p8a n PHE 139 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.63 1p8a n PHE 139 Cb 0.03 -0.57 0.30 0.00 -0.00 0.00 0.00 39.48 39.24 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 -0.60 0.00 0.00 -2.13 6.46 -1.65 -1.43 115.31 115.96 1p8a h LEU 140 Ca -0.38 -0.09 -0.19 0.00 -0.12 0.00 0.00 57.88 57.11 1p8a h LEU 140 Cb 1.28 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 1p8a h LEU 140 CO -0.23 0.04 -1.02 0.74 -0.62 0.00 0.00 178.44 177.36 1p8a h THR 141 N 0.00 1.19 0.00 1.05 2.02 -1.70 -3.07 112.91 112.40 1p8a h THR 141 Ca 0.00 -2.80 -0.15 0.00 0.77 0.00 0.00 66.41 64.23 1p8a h THR 141 Cb 0.75 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.69 1p8a h THR 141 CO 0.00 0.68 -1.90 -0.62 0.37 0.00 0.00 175.52 174.05 1p8a n GLU 142 N -3.21 1.07 0.30 6.66 1.02 -1.24 -3.85 120.64 121.40 1p8a n GLU 142 Ca -0.03 -0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.17 1p8a n GLU 142 Cb 0.89 -1.39 0.70 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.00 0.00 0.00 -0.32 3.86 -1.40 -3.43 115.15 113.86 1p8a h HIS 143 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1p8a h HIS 143 Cb 1.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1p8a h HIS 143 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1p8a n GLY 144 N -1.24 0.82 2.01 2.45 0.00 -1.26 -5.06 105.19 102.91 1p8a n GLY 144 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.26 0.00 0.99 4.77 -1.24 -5.09 117.00 116.17 1p8a n LEU 145 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1p8a n LEU 145 Cb 0.00 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1p8a n LEU 145 CO 0.00 -0.53 0.00 0.00 -1.33 0.00 0.00 177.39 175.53