#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 3.44 -0.03 0.00 0.00 -1.26 -5.03 121.76 118.88 1p8a s ALA 2 Ca 0.00 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1p8a s ALA 2 Cb 0.00 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1p8a s ALA 2 CO 0.00 0.23 0.42 -2.00 0.00 0.00 0.00 175.76 174.42 1p8a s GLU 3 N -0.82 0.77 0.37 0.00 2.12 -1.26 -5.15 118.70 114.73 1p8a s GLU 3 Ca 0.36 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.49 1p8a s GLU 3 Cb -0.22 0.35 -0.10 0.00 0.26 0.00 0.00 34.13 34.42 1p8a s GLU 3 CO 0.25 -0.22 0.83 -1.59 -0.54 0.00 0.00 175.26 173.99 1p8a s LYS 4 N -1.21 4.11 0.00 4.30 0.00 -1.26 -4.71 119.74 120.97 1p8a s LYS 4 Ca -0.12 0.88 0.00 0.00 0.00 0.00 0.00 55.97 56.72 1p8a s LYS 4 Cb -0.04 -2.32 0.00 0.00 0.00 0.00 0.00 37.83 35.47 1p8a s LYS 4 CO 0.06 0.07 0.00 1.63 0.00 0.00 0.00 175.35 177.11 1p8a n LYS 5 N -0.49 1.95 -3.60 1.78 5.02 -1.26 -4.94 118.16 116.63 1p8a n LYS 5 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 1p8a n LYS 5 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.42 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -2.00 -0.58 -0.19 7.82 0.00 -1.26 0.42 121.76 125.97 1p8a s ALA 6 Ca 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1p8a s ALA 6 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1p8a s ALA 6 CO 0.00 -0.81 -0.00 0.08 0.00 0.00 0.00 175.76 175.02 1p8a s VAL 7 N 2.42 4.02 -1.11 0.00 1.01 -0.38 -0.58 120.40 125.78 1p8a s VAL 7 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1p8a s VAL 7 Cb -0.13 -2.80 0.26 0.00 0.00 0.00 0.00 36.38 33.70 1p8a s VAL 7 CO -0.10 0.45 1.15 -0.22 0.00 0.00 0.00 175.10 176.37 1p8a s LEU 8 N 0.76 6.14 0.25 3.92 2.96 0.61 -0.08 118.68 133.25 1p8a s LEU 8 Ca 0.00 -3.42 -0.30 0.00 -0.22 0.00 0.00 54.13 50.18 1p8a s LEU 8 Cb -0.14 -2.24 -0.11 0.00 0.50 0.00 0.00 46.19 44.19 1p8a s LEU 8 CO 0.02 -0.39 1.57 -0.36 -1.32 0.00 0.00 176.35 175.87 1p8a s PHE 9 N -0.65 2.88 0.22 5.38 0.08 0.16 -1.27 117.98 124.79 1p8a s PHE 9 Ca 0.32 0.76 -0.18 0.00 0.12 0.00 0.00 56.93 57.95 1p8a s PHE 9 Cb -0.09 -4.00 0.02 0.00 -0.57 0.00 0.00 43.02 38.39 1p8a s PHE 9 CO -0.07 -3.45 0.57 0.54 -0.10 0.00 0.00 175.22 172.72 1p8a s VAL 10 N 0.33 0.01 0.00 -0.44 0.11 0.71 -1.18 120.40 119.94 1p8a s VAL 10 Ca 0.65 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1p8a s VAL 10 Cb -0.46 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1p8a s VAL 10 CO 0.42 -0.06 0.00 0.00 -3.33 0.00 0.00 175.10 172.13 1p8a s LEU 12 N 0.00 1.34 0.00 0.00 2.96 -1.26 -4.43 118.68 117.29 1p8a s LEU 12 Ca 0.00 -2.53 0.00 0.00 -0.22 0.00 0.00 54.13 51.38 1p8a s LEU 12 Cb 0.00 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.20 1p8a s LEU 12 CO 0.00 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1p8a n GLY 13 N 3.59 2.34 7.00 7.98 0.00 -1.21 -4.75 105.19 120.14 1p8a n GLY 13 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1p8a n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p8a n ASN 14 N 0.00 -1.12 -0.57 1.61 5.15 -1.26 -4.53 115.26 114.54 1p8a n ASN 14 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1p8a n ASN 14 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.22 0.00 -3.82 -1.44 2.08 -1.26 -4.82 119.36 109.88 1p8a n ILE 15 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.32 1p8a n ILE 15 Cb 0.00 -1.24 0.01 0.00 -0.75 0.00 0.00 39.64 37.65 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1p8a n ARG 17 N -0.70 0.00 -2.67 0.00 1.74 -1.26 -3.45 116.66 110.33 1p8a n ARG 17 Ca -0.02 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.02 1p8a n ARG 17 Cb 0.60 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.11 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1p8a n SER 18 N 1.94 -1.26 0.00 0.55 7.64 -1.26 -3.07 113.62 118.15 1p8a n SER 18 Ca 0.00 -1.88 0.13 0.00 1.01 0.00 0.00 58.87 58.13 1p8a n SER 18 Cb 0.00 1.12 0.75 0.00 -1.01 0.00 0.00 64.21 65.07 1p8a n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1p8a n PRO 19 N 0.03 0.73 -0.26 1.43 -0.04 -1.22 -2.77 135.00 132.89 1p8a n PRO 19 Ca -0.14 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1p8a n PRO 19 Cb 0.71 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.93 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 -1.06 2.40 -0.24 0.55 0.00 -1.26 -4.36 120.51 116.54 1p8a n ALA 20 Ca 0.18 -1.12 0.01 0.00 0.00 0.00 0.00 53.44 52.50 1p8a n ALA 20 Cb 0.11 -0.90 0.23 0.00 0.00 0.00 0.00 19.45 18.90 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 1.06 -0.04 0.72 0.00 4.81 -1.86 0.18 114.58 119.45 1p8a h GLU 22 Ca 0.30 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1p8a h GLU 22 Cb -0.09 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.31 1p8a h GLU 22 CO -0.07 0.20 -0.35 0.78 -0.73 0.00 0.00 179.01 178.84 1p8a h GLY 23 N -0.28 -1.01 1.06 1.92 0.00 -1.54 -1.29 103.07 101.93 1p8a h GLY 23 Ca -0.00 0.37 0.13 0.00 0.00 0.00 0.00 47.33 47.83 1p8a h GLY 23 CO 0.01 -0.37 0.34 1.19 0.00 0.00 0.00 176.54 177.71 1p8a h ILE 24 N -1.11 0.71 0.52 2.60 6.09 -0.75 0.25 117.51 125.82 1p8a h ILE 24 Ca -0.10 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.37 1p8a h ILE 24 Cb 0.77 0.76 0.01 0.00 0.47 0.00 0.00 36.82 38.82 1p8a h ILE 24 CO 0.16 0.00 -0.25 0.00 -3.07 0.00 0.00 178.15 174.99 1p8a h ARG 26 N -1.12 0.00 0.00 0.00 0.11 -0.88 -0.95 114.38 111.55 1p8a h ARG 26 Ca -0.07 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 1p8a h ARG 26 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1p8a h ARG 26 CO 0.12 0.05 -0.12 0.22 0.10 0.00 0.00 179.97 180.33 1p8a h ASP 27 N 0.00 0.00 -0.94 0.08 3.58 -0.95 0.12 116.42 118.32 1p8a h ASP 27 Ca -0.00 -0.65 0.10 0.00 0.42 0.00 0.00 57.03 56.90 1p8a h ASP 27 Cb 0.09 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.07 1p8a h ASP 27 CO 0.01 0.90 0.60 -0.03 -2.88 0.00 0.00 179.24 177.83 1p8a h MET 28 N -1.00 0.90 0.17 0.28 4.05 -0.04 -2.50 114.93 116.80 1p8a h MET 28 Ca -0.03 -0.05 -0.34 0.00 -0.28 0.00 0.00 59.70 59.00 1p8a h MET 28 Cb 0.74 -0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1p8a h MET 28 CO -0.02 0.60 -1.66 -0.39 0.23 0.00 0.00 176.91 175.67 1p8a h VAL 29 N 0.93 1.04 0.00 -5.77 -1.51 -1.29 -3.49 116.25 106.16 1p8a h VAL 29 Ca 0.44 -2.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.29 1p8a h VAL 29 Cb 0.43 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 1p8a h VAL 29 CO -0.20 0.84 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 1p8a n GLY 30 N 1.78 2.41 2.70 5.19 0.00 0.43 -4.60 105.19 113.10 1p8a n GLY 30 Ca -0.21 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 1p8a n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p8a n ASP 31 N 2.40 -1.59 0.00 1.61 2.03 -1.26 -4.74 116.55 115.00 1p8a n ASP 31 Ca 0.00 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.79 1p8a n ASP 31 Cb 0.00 0.90 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 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 -0.52 0.91 0.00 -0.67 4.76 -1.26 -5.14 118.16 116.24 1p8a n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1p8a n LYS 32 Cb 0.84 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.03 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p8a n LEU 33 N 0.00 0.00 -1.98 -0.35 4.32 -1.26 -4.94 117.00 112.78 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -1.22 0.00 0.00 177.39 178.47 1p8a n ILE 34 N 0.00 0.00 -3.17 -0.08 -6.64 0.17 -4.80 119.36 104.84 1p8a n ILE 34 Ca 0.00 0.00 -0.45 0.00 -1.77 0.00 0.00 62.75 60.53 1p8a n ILE 34 Cb 0.00 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.16 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 -1.49 5.03 0.02 7.28 1.09 -1.26 -1.25 121.20 130.61 1p8a s ILE 35 Ca 0.00 -1.41 0.02 0.00 -1.10 0.00 0.00 60.65 58.16 1p8a s ILE 35 Cb 0.00 -4.48 -0.01 0.00 -1.06 0.00 0.00 42.46 36.90 1p8a s ILE 35 CO 0.00 -1.09 -0.07 -1.81 -0.10 0.00 0.00 174.94 171.87 1p8a s ASP 36 N 3.38 0.75 0.04 3.58 1.01 0.89 -4.87 116.67 121.45 1p8a s ASP 36 Ca 0.13 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.11 1p8a s ASP 36 Cb -0.21 -0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.67 1p8a s ASP 36 CO 0.01 -0.05 -0.06 -0.94 0.21 0.00 0.00 175.17 174.35 1p8a s SER 37 N -0.75 0.65 0.10 0.27 1.04 -1.26 0.40 113.70 114.15 1p8a s SER 37 Ca -0.03 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1p8a s SER 37 Cb -0.05 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 1p8a s SER 37 CO 0.00 -0.28 0.13 0.00 0.98 0.00 0.00 173.24 174.07 1p8a n ALA 38 N 1.32 -0.01 -3.15 5.32 0.00 -0.33 -4.86 120.51 118.80 1p8a n ALA 38 Ca -0.22 -0.51 0.05 0.00 0.00 0.00 0.00 53.44 52.76 1p8a n ALA 38 Cb 0.56 0.42 -0.00 0.00 0.00 0.00 0.00 19.45 20.42 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a s ALA 39 N -2.06 -3.42 0.02 0.00 0.00 -1.25 -4.20 121.76 110.83 1p8a s ALA 39 Ca 0.10 1.26 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1p8a s ALA 39 Cb -0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1p8a s ALA 39 CO 0.07 -1.97 1.10 1.79 0.00 0.00 0.00 175.76 176.75 1p8a h THR 40 N 5.09 0.00 -2.67 0.00 1.35 -1.82 -3.14 112.91 111.71 1p8a h THR 40 Ca -0.07 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.51 1p8a h THR 40 Cb 1.18 0.00 0.16 0.00 -1.73 0.00 0.00 68.15 67.76 1p8a h THR 40 CO -0.00 0.00 -0.03 -0.24 -0.25 0.00 0.00 175.52 175.00 1p8a n SER 41 N -2.88 -2.79 -2.19 5.36 2.88 -1.26 -4.56 113.62 108.18 1p8a n SER 41 Ca -0.02 -0.83 -0.03 0.00 -1.33 0.00 0.00 58.87 56.66 1p8a n SER 41 Cb 0.08 -0.76 0.06 0.00 -0.75 0.00 0.00 64.21 62.85 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 -3.73 1.56 0.09 0.46 0.00 -1.26 -3.29 105.19 99.02 1p8a n GLY 42 Ca 0.11 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1p8a n GLY 42 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 43 N 0.93 0.17 -2.37 1.61 0.04 -1.88 -3.37 116.94 112.07 1p8a h PHE 43 Ca -0.43 -0.11 -0.64 0.00 2.80 0.00 0.00 57.97 59.59 1p8a h PHE 43 Cb 1.36 -0.01 -0.40 0.00 2.20 0.00 0.00 35.95 39.10 1p8a h PHE 43 CO -0.02 1.04 -0.36 1.58 -0.60 0.00 0.00 178.31 179.95 1p8a n HIS 44 N -3.47 3.44 -4.00 -0.55 -0.00 -1.26 -5.04 115.22 104.34 1p8a n HIS 44 Ca -0.03 -3.92 -0.13 0.00 0.46 0.00 0.00 57.72 54.11 1p8a n HIS 44 Cb 0.92 -0.69 -0.13 0.00 -0.12 0.00 0.00 29.99 29.97 1p8a n HIS 44 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1p8a s VAL 45 N -2.47 0.21 0.00 3.57 0.11 -1.26 -4.50 120.40 116.06 1p8a s VAL 45 Ca 0.38 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1p8a s VAL 45 Cb 0.12 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1p8a s VAL 45 CO -0.00 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1p8a n GLY 46 N 2.64 0.76 0.00 6.54 0.00 -1.26 -4.97 105.19 108.90 1p8a n GLY 46 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.68 0.00 -2.40 1.61 10.64 -1.26 -5.13 117.38 119.16 1p8a n GLN 47 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1p8a n GLN 47 Cb 0.20 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.58 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1p8a n SER 48 N 0.00 -7.78 -4.55 2.61 2.88 -1.26 -4.74 113.62 100.78 1p8a n SER 48 Ca 0.00 1.77 -0.39 0.00 -1.33 0.00 0.00 58.87 58.92 1p8a n SER 48 Cb 0.00 -5.11 -0.03 0.00 -0.75 0.00 0.00 64.21 58.32 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1p8a s PRO 49 N -0.59 2.64 -0.14 -1.46 0.04 -1.26 -4.83 135.00 129.40 1p8a s PRO 49 Ca -0.05 0.65 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1p8a s PRO 49 Cb 0.00 -4.38 0.26 0.00 0.04 0.00 0.00 34.50 30.42 1p8a s PRO 49 CO 0.13 -2.71 1.23 -0.25 0.04 0.00 0.00 177.00 175.44 1p8a n ASP 50 N 12.71 3.13 0.14 6.66 8.00 -1.26 -4.06 116.55 141.87 1p8a n ASP 50 Ca 0.21 -2.52 0.01 0.00 0.71 0.00 0.00 54.79 53.20 1p8a n ASP 50 Cb 0.52 -0.61 0.16 0.00 -0.02 0.00 0.00 41.12 41.17 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1p8a h THR 51 N 0.69 1.16 0.05 -3.53 2.02 -1.98 -1.12 112.91 110.21 1p8a h THR 51 Ca 0.17 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.22 1p8a h THR 51 Cb 1.50 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1p8a h THR 51 CO 0.34 0.56 -0.03 0.03 0.37 0.00 0.00 175.52 176.79 1p8a h ARG 52 N 0.00 -0.07 -0.27 6.66 3.08 -1.99 0.27 114.38 122.07 1p8a h ARG 52 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1p8a h ARG 52 Cb 1.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1p8a h ARG 52 CO 0.07 0.54 0.11 0.77 -1.07 0.00 0.00 179.97 180.40 1p8a h SER 53 N -0.78 0.36 -0.63 7.04 0.02 -1.85 -1.17 113.55 116.55 1p8a h SER 53 Ca -0.01 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1p8a h SER 53 Cb 0.64 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1p8a h SER 53 CO 0.01 0.42 0.28 -0.61 -1.14 0.00 0.00 176.83 175.79 1p8a h GLN 54 N 0.29 0.92 0.23 3.45 4.15 -1.29 0.55 115.11 123.41 1p8a h GLN 54 Ca 0.09 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1p8a h GLN 54 Cb 0.16 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1p8a h GLN 54 CO -0.01 0.76 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.28 1p8a h LYS 55 N 0.87 -0.34 -0.95 1.69 3.64 -0.64 -1.07 116.57 119.78 1p8a h LYS 55 Ca 0.21 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.85 1p8a h LYS 55 Cb 0.16 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1p8a h LYS 55 CO -0.02 -0.22 0.64 -0.24 -2.27 0.00 0.00 179.45 177.33 1p8a h VAL 56 N -0.35 0.60 0.29 2.00 3.04 -1.22 -0.08 116.25 120.53 1p8a h VAL 56 Ca -0.03 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1p8a h VAL 56 Cb 0.28 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 1p8a h VAL 56 CO 0.03 0.05 -0.30 0.00 -1.01 0.00 0.00 177.57 176.34 1p8a h LYS 58 N -0.63 0.00 0.00 0.00 1.57 0.19 1.96 116.57 119.66 1p8a h LYS 58 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1p8a h LYS 58 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1p8a h LYS 58 CO -0.07 0.20 0.00 0.45 -0.57 0.00 0.00 179.45 179.46 1p8a n SER 59 N -4.29 0.74 -0.05 0.86 2.88 -0.32 -3.78 113.62 109.67 1p8a n SER 59 Ca -0.02 0.59 -0.06 0.00 -1.33 0.00 0.00 58.87 58.04 1p8a n SER 59 Cb 0.26 -0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 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 -2.21 3.05 0.00 -3.46 4.13 0.19 -5.05 115.26 111.90 1p8a n ASN 60 Ca 0.05 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1p8a n ASN 60 Cb 0.39 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 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 2.74 1.03 0.00 7.41 0.00 0.65 -5.07 105.19 111.96 1p8a n GLY 61 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.93 1.61 3.14 -0.76 -4.79 118.33 116.60 1p8a n VAL 62 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1p8a n VAL 62 Cb 0.00 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 32.93 1p8a n VAL 62 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1p8a n ASP 63 N 0.00 0.76 0.10 6.55 8.00 -1.26 -4.10 116.55 126.60 1p8a n ASP 63 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 1p8a n ASP 63 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1p8a n ASP 63 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1p8a n ILE 64 N -3.69 0.00 -2.27 0.53 5.41 -1.26 -3.81 119.36 114.28 1p8a n ILE 64 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.85 1p8a n ILE 64 Cb 0.51 -0.15 -0.02 0.00 -0.71 0.00 0.00 39.64 39.27 1p8a n ILE 64 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1p8a n SER 65 N -3.04 -2.48 -1.53 4.38 2.88 -1.26 -4.89 113.62 107.68 1p8a n SER 65 Ca 0.00 0.93 0.04 0.00 -1.33 0.00 0.00 58.87 58.52 1p8a n SER 65 Cb 0.00 -3.92 -0.02 0.00 -0.75 0.00 0.00 64.21 59.52 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1p8a n LYS 66 N 0.94 -3.75 0.00 -1.46 4.01 -1.26 -5.01 118.16 111.63 1p8a n LYS 66 Ca -0.20 2.95 0.00 0.00 -0.51 0.00 0.00 58.31 60.55 1p8a n LYS 66 Cb 0.31 -3.85 0.00 0.00 -0.51 0.00 0.00 35.03 30.98 1p8a n LYS 66 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1p8a n GLN 67 N -3.05 3.53 -2.67 1.97 1.13 -1.26 -5.11 117.38 111.92 1p8a n GLN 67 Ca -0.02 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.99 1p8a n GLN 67 Cb 0.51 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.94 1p8a n GLN 67 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1p8a n ARG 68 N 0.00 0.17 -3.52 -1.09 1.74 -1.26 -5.15 116.66 107.55 1p8a n ARG 68 Ca 0.00 -0.77 -0.38 0.00 -0.77 0.00 0.00 57.85 55.94 1p8a n ARG 68 Cb 0.00 -0.31 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8a s ALA 69 N 0.16 3.69 0.09 7.54 0.00 -1.26 -4.85 121.76 127.14 1p8a s ALA 69 Ca 0.26 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 1p8a s ALA 69 Cb 0.21 -2.37 0.09 0.00 0.00 0.00 0.00 23.12 21.04 1p8a s ALA 69 CO -0.09 0.45 1.13 -0.98 0.00 0.00 0.00 175.76 176.27 1p8a s ARG 70 N -0.93 0.89 -0.52 0.00 1.70 -1.26 -4.65 118.95 114.17 1p8a s ARG 70 Ca 0.23 -0.54 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 1p8a s ARG 70 Cb -0.16 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1p8a s ARG 70 CO 0.12 -0.41 1.41 -1.14 -1.08 0.00 0.00 175.30 174.20 1p8a s GLN 71 N -2.40 3.38 0.88 3.89 2.00 -1.26 -3.95 119.66 122.19 1p8a s GLN 71 Ca 0.20 0.59 -0.16 0.00 -2.00 0.00 0.00 55.36 53.99 1p8a s GLN 71 Cb -0.00 -4.10 -0.07 0.00 0.80 0.00 0.00 33.01 29.64 1p8a s GLN 71 CO 0.01 -1.84 -0.09 1.51 -0.50 0.00 0.00 175.29 174.39 1p8a n ILE 72 N 6.93 0.34 -4.23 -2.34 3.06 -1.19 -4.98 119.36 116.95 1p8a n ILE 72 Ca 0.14 -0.38 -0.13 0.00 -2.50 0.00 0.00 62.75 59.87 1p8a n ILE 72 Cb 0.49 -0.35 -0.10 0.00 0.54 0.00 0.00 39.64 40.22 1p8a n ILE 72 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1p8a s THR 73 N -2.11 1.08 0.57 9.51 -4.23 -1.26 -5.00 115.64 114.19 1p8a s THR 73 Ca 0.52 -2.03 0.32 0.00 -1.18 0.00 0.00 61.69 59.32 1p8a s THR 73 Cb -0.25 -1.81 0.32 0.00 1.34 0.00 0.00 72.50 72.10 1p8a s THR 73 CO 0.71 -0.77 1.98 0.07 -0.54 0.00 0.00 174.62 176.08 1p8a h LYS 74 N 2.83 0.00 0.00 3.99 2.10 -2.02 0.83 116.57 124.30 1p8a h LYS 74 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1p8a h LYS 74 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1p8a h LYS 74 CO 0.63 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.08 1p8a n ALA 75 N -1.91 1.29 0.42 0.07 0.00 -1.26 -1.55 120.51 117.58 1p8a n ALA 75 Ca -0.02 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1p8a n ALA 75 Cb 0.27 -1.25 0.48 0.00 0.00 0.00 0.00 19.45 18.96 1p8a n ALA 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p8a h ASP 76 N 0.00 0.00 0.73 0.00 5.19 -1.23 -1.81 116.42 119.30 1p8a h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p8a h ASP 76 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1p8a h ASP 76 CO 0.00 0.00 -0.07 0.49 -3.12 0.00 0.00 179.24 176.54 1p8a n PHE 77 N -2.42 0.00 -0.02 4.55 3.72 -0.60 -3.68 117.46 119.02 1p8a n PHE 77 Ca 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.40 1p8a n PHE 77 Cb 0.31 -0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 1p8a n PHE 77 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1p8a n SER 78 N -1.36 0.59 -0.02 4.37 3.41 -1.00 -4.36 113.62 115.24 1p8a n SER 78 Ca 0.10 0.03 0.24 0.00 -0.26 0.00 0.00 58.87 58.98 1p8a n SER 78 Cb 0.30 -0.09 0.72 0.00 -0.26 0.00 0.00 64.21 64.88 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1p8a h LYS 79 N -0.10 0.00 -4.83 4.33 3.64 -1.51 -3.41 116.57 114.69 1p8a h LYS 79 Ca -0.08 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.02 1p8a h LYS 79 Cb 1.07 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.73 1p8a h LYS 79 CO -0.04 0.00 -0.72 -0.06 -2.27 0.00 0.00 179.45 176.36 1p8a s PHE 80 N -4.72 0.99 -1.08 1.91 0.08 -1.24 -4.89 117.98 109.03 1p8a s PHE 80 Ca -0.04 -0.75 0.17 0.00 0.12 0.00 0.00 56.93 56.43 1p8a s PHE 80 Cb 0.17 -0.55 -0.12 0.00 -0.57 0.00 0.00 43.02 41.95 1p8a s PHE 80 CO 0.61 -0.05 0.78 -3.47 -0.10 0.00 0.00 175.22 172.99 1p8a n ASP 81 N 0.33 1.11 -3.91 1.36 2.03 -1.12 -4.68 116.55 111.68 1p8a n ASP 81 Ca -0.15 -1.06 -0.12 0.00 0.52 0.00 0.00 54.79 53.98 1p8a n ASP 81 Cb 0.59 0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 41.67 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1p8a s VAL 82 N -2.39 0.13 0.03 5.18 1.01 0.26 -1.41 120.40 123.20 1p8a s VAL 82 Ca 0.09 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1p8a s VAL 82 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.34 1p8a s VAL 82 CO 0.60 -0.06 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 1p8a s ILE 83 N -0.29 1.72 -0.20 2.22 1.01 0.64 -0.28 121.20 126.01 1p8a s ILE 83 Ca -0.02 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 1p8a s ILE 83 Cb -0.02 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1p8a s ILE 83 CO -0.00 0.30 -0.10 0.00 0.00 0.00 0.00 174.94 175.14 1p8a s ALA 84 N -0.71 2.65 -0.29 9.38 0.00 -0.39 -0.38 121.76 132.01 1p8a s ALA 84 Ca 0.08 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1p8a s ALA 84 Cb -0.09 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.55 1p8a s ALA 84 CO 0.01 -0.37 0.03 0.00 0.00 0.00 0.00 175.76 175.43 1p8a s ALA 85 N 1.36 2.93 0.00 0.00 0.00 -0.29 -0.21 121.76 125.55 1p8a s ALA 85 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1p8a s ALA 85 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1p8a s ALA 85 CO -0.06 -1.00 0.35 1.28 0.00 0.00 0.00 175.76 176.33 1p8a n LEU 86 N 4.77 0.00 0.00 0.00 4.32 -0.51 -1.19 117.00 124.39 1p8a n LEU 86 Ca -0.15 0.35 -0.29 0.00 -0.02 0.00 0.00 56.01 55.91 1p8a n LEU 86 Cb 0.47 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.50 1p8a n LEU 86 CO 0.30 0.00 0.64 -0.67 -1.22 0.00 0.00 177.39 176.44 1p8a n ASP 87 N -0.50 -1.60 -0.00 -1.43 -0.08 -1.26 -3.99 116.55 107.68 1p8a n ASP 87 Ca 0.00 -1.21 -0.20 0.00 -1.51 0.00 0.00 54.79 51.87 1p8a n ASP 87 Cb 0.00 -0.97 -0.14 0.00 2.34 0.00 0.00 41.12 42.35 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1p8a h GLN 88 N 0.00 0.20 -0.71 -0.67 4.20 -1.92 -3.33 115.11 112.89 1p8a h GLN 88 Ca -0.40 -0.35 0.14 0.00 0.06 0.00 0.00 58.65 58.10 1p8a h GLN 88 Cb 1.19 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.97 1p8a h GLN 88 CO 0.27 1.17 -0.23 1.03 -0.67 0.00 0.00 178.83 180.39 1p8a h SER 89 N -0.47 -0.83 -0.54 1.46 0.87 -1.97 0.23 113.55 112.30 1p8a h SER 89 Ca -0.24 0.23 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1p8a h SER 89 Cb 1.60 0.50 -0.08 0.00 -0.44 0.00 0.00 62.40 63.98 1p8a h SER 89 CO 0.04 -0.26 0.11 -0.29 -0.53 0.00 0.00 176.83 175.91 1p8a h ILE 90 N -0.04 0.70 0.21 2.23 2.10 -1.86 0.52 117.51 121.36 1p8a h ILE 90 Ca 0.32 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 66.18 1p8a h ILE 90 Cb 0.54 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.68 1p8a h ILE 90 CO -0.75 0.05 -0.18 0.25 -1.08 0.00 0.00 178.15 176.44 1p8a h LEU 91 N 0.25 -0.46 0.14 2.19 5.85 -0.71 -1.24 115.31 121.33 1p8a h LEU 91 Ca 0.27 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1p8a h LEU 91 Cb 0.38 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1p8a h LEU 91 CO -0.35 -0.27 -0.28 -1.28 -0.34 0.00 0.00 178.44 175.92 1p8a h SER 92 N -0.40 -0.79 -0.22 1.25 0.87 -0.57 0.55 113.55 114.24 1p8a h SER 92 Ca -0.01 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1p8a h SER 92 Cb 0.36 0.30 -0.07 0.00 -0.44 0.00 0.00 62.40 62.55 1p8a h SER 92 CO -0.03 -0.38 -0.53 0.44 -0.53 0.00 0.00 176.83 175.81 1p8a h ASP 93 N -0.51 -1.73 -0.34 6.23 3.32 -0.74 1.84 116.42 124.49 1p8a h ASP 93 Ca 0.02 0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1p8a h ASP 93 Cb 0.53 0.68 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1p8a h ASP 93 CO -0.15 -0.45 0.18 0.40 -1.72 0.00 0.00 179.24 177.51 1p8a h ILE 94 N -0.51 1.01 0.00 0.35 2.04 -1.00 0.52 117.51 119.92 1p8a h ILE 94 Ca 0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1p8a h ILE 94 Cb 0.63 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1p8a h ILE 94 CO -0.48 0.07 0.00 -1.13 0.00 0.00 0.00 178.15 176.61 1p8a h ASN 95 N 0.38 0.00 1.07 1.72 -0.73 0.11 0.31 115.58 118.44 1p8a h ASN 95 Ca 0.14 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.12 1p8a h ASN 95 Cb 0.03 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.59 1p8a h ASN 95 CO -0.08 0.00 -0.95 -1.28 -0.37 0.00 0.00 177.43 174.75 1p8a h SER 96 N 0.00 0.00 0.14 1.15 0.87 0.51 -3.33 113.55 112.89 1p8a h SER 96 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1p8a h SER 96 Cb 0.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 1p8a h SER 96 CO 0.00 0.89 -2.19 1.15 -0.53 0.00 0.00 176.83 176.15 1p8a n MET 97 N -3.30 0.67 -1.37 2.24 0.00 -0.81 -4.97 117.12 109.59 1p8a n MET 97 Ca -0.01 0.08 -0.43 0.00 0.00 0.00 0.00 57.70 57.34 1p8a n MET 97 Cb 0.90 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 32.51 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p8a n LYS 98 N -2.85 0.17 -1.22 3.17 4.76 0.03 -4.92 118.16 117.31 1p8a n LYS 98 Ca -0.29 0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 54.92 1p8a n LYS 98 Cb 1.12 -1.14 0.23 0.00 -1.84 0.00 0.00 35.03 33.40 1p8a n LYS 98 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1p8a s PRO 99 N -1.15 -0.85 -0.24 1.97 0.04 -1.26 -4.95 135.00 128.56 1p8a s PRO 99 Ca 0.61 -0.09 0.12 0.00 0.04 0.00 0.00 61.00 61.68 1p8a s PRO 99 Cb -0.71 -1.64 0.74 0.00 0.04 0.00 0.00 34.50 32.93 1p8a s PRO 99 CO 0.60 -3.46 1.67 0.45 0.04 0.00 0.00 177.00 176.30 1p8a n SER 100 N -4.58 5.16 0.00 6.66 2.88 -1.26 -4.92 113.62 117.56 1p8a n SER 100 Ca 0.13 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1p8a n SER 100 Cb 0.59 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1p8a n SER 100 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p8a n ASN 101 N 0.38 0.71 -0.56 -3.46 4.13 -1.26 -5.14 115.26 110.06 1p8a n ASN 101 Ca 0.29 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.60 1p8a n ASN 101 Cb 1.18 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 39.40 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p8a n ARG 103 N -1.86 1.67 -1.83 0.00 0.00 -1.26 -5.08 116.66 108.30 1p8a n ARG 103 Ca 0.00 -3.22 -0.04 0.00 -0.00 0.00 0.00 57.85 54.60 1p8a n ARG 103 Cb 0.18 -1.33 0.00 0.00 -0.00 0.00 0.00 32.46 31.31 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 104 N -0.43 0.14 -3.57 2.89 0.00 -1.26 -4.83 120.51 113.44 1p8a n ALA 104 Ca 0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1p8a n ALA 104 Cb 0.91 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.44 1p8a n ALA 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p8a s LYS 105 N -2.36 0.85 -0.16 0.00 -0.14 -0.50 -4.95 119.74 112.47 1p8a s LYS 105 Ca 0.05 0.48 -0.02 0.00 -1.36 0.00 0.00 55.97 55.12 1p8a s LYS 105 Cb -0.00 0.40 -0.02 0.00 -1.68 0.00 0.00 37.83 36.53 1p8a s LYS 105 CO 0.03 -0.21 -0.08 0.08 -0.76 0.00 0.00 175.35 174.41 1p8a s VAL 106 N -0.57 3.36 0.40 3.17 1.01 -1.26 -0.26 120.40 126.24 1p8a s VAL 106 Ca -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1p8a s VAL 106 Cb -0.02 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 1p8a s VAL 106 CO 0.04 0.49 0.03 0.54 0.00 0.00 0.00 175.10 176.19 1p8a s VAL 107 N 0.69 1.64 0.07 2.92 0.11 0.49 -4.91 120.40 121.40 1p8a s VAL 107 Ca -0.04 -2.00 -0.00 0.00 -2.93 0.00 0.00 61.98 57.01 1p8a s VAL 107 Cb -0.15 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 1p8a s VAL 107 CO 0.02 0.00 0.22 -0.22 -3.33 0.00 0.00 175.10 171.80 1p8a s LEU 108 N -3.67 4.35 -0.36 2.54 2.96 -1.26 -1.14 118.68 122.10 1p8a s LEU 108 Ca 0.31 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 1p8a s LEU 108 Cb 0.08 -2.98 0.11 0.00 0.50 0.00 0.00 46.19 43.90 1p8a s LEU 108 CO 0.15 0.16 0.11 0.12 -1.32 0.00 0.00 176.35 175.57 1p8a s PHE 109 N -1.53 2.83 0.59 5.38 5.36 -0.33 -4.73 117.98 125.55 1p8a s PHE 109 Ca 0.35 -2.56 0.00 0.00 -0.96 0.00 0.00 56.93 53.77 1p8a s PHE 109 Cb -0.13 -2.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1p8a s PHE 109 CO 0.28 -0.88 0.00 -1.71 -1.46 0.00 0.00 175.22 171.45 1p8a n ASN 110 N 4.22 -9.00 -4.06 6.13 2.85 -1.26 -4.37 115.26 109.77 1p8a n ASN 110 Ca 0.03 1.64 -0.30 0.00 -0.11 0.00 0.00 54.58 55.84 1p8a n ASN 110 Cb 0.40 -5.29 0.21 0.00 1.24 0.00 0.00 39.78 36.34 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1p8a s PRO 111 N -4.51 -0.20 0.00 1.20 0.04 -1.26 -4.51 135.00 125.77 1p8a s PRO 111 Ca 0.00 -0.16 0.14 0.00 0.04 0.00 0.00 61.00 61.01 1p8a s PRO 111 Cb 0.00 -1.73 0.81 0.00 0.04 0.00 0.00 34.50 33.62 1p8a s PRO 111 CO 0.00 -3.01 1.27 -0.35 0.04 0.00 0.00 177.00 174.94 1p8a n PRO 112 N -4.24 0.61 0.02 0.56 -0.04 -1.26 -2.93 135.00 127.72 1p8a n PRO 112 Ca 0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1p8a n PRO 112 Cb 0.59 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.56 1p8a n PRO 112 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1p8a h ASN 113 N 0.00 0.39 0.00 3.54 4.21 -1.97 -3.43 115.58 118.32 1p8a h ASN 113 Ca 0.00 -0.74 0.00 0.00 1.21 0.00 0.00 56.30 56.77 1p8a h ASN 113 Cb 0.00 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 1p8a h ASN 113 CO 0.00 1.65 0.00 0.61 -1.29 0.00 0.00 177.43 178.40 1p8a n GLY 114 N 1.85 0.65 0.00 2.83 0.00 -1.15 -4.90 105.19 104.48 1p8a n GLY 114 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.04 0.00 -1.50 1.61 0.24 -1.24 -4.73 118.33 111.66 1p8a n VAL 115 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1p8a n VAL 115 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 -8.07 -3.55 -1.34 -0.08 -1.18 -4.91 116.55 97.43 1p8a n ASP 116 Ca 0.00 1.13 -0.07 0.00 -1.51 0.00 0.00 54.79 54.33 1p8a n ASP 116 Cb 0.00 -4.16 -0.03 0.00 2.34 0.00 0.00 41.12 39.27 1p8a n ASP 116 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1p8a s ASP 117 N -2.58 -0.29 0.32 1.67 1.47 -1.26 -4.83 116.67 111.16 1p8a s ASP 117 Ca 0.00 0.08 0.15 0.00 1.18 0.00 0.00 52.55 53.96 1p8a s ASP 117 Cb 0.00 0.29 0.48 0.00 -0.34 0.00 0.00 42.92 43.34 1p8a s ASP 117 CO 0.00 -0.43 1.65 1.55 0.68 0.00 0.00 175.17 178.62 1p8a h PRO 118 N 2.12 0.00 -4.71 2.11 0.13 -1.98 -3.44 132.00 126.22 1p8a h PRO 118 Ca -0.17 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.57 1p8a h PRO 118 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1p8a h PRO 118 CO 0.28 0.51 -0.58 0.98 -0.23 0.00 0.00 178.00 178.96 1p8a n TYR 119 N -3.61 -1.87 -0.05 1.56 4.19 -1.26 -4.84 117.16 111.27 1p8a n TYR 119 Ca -0.00 0.47 -0.06 0.00 3.31 0.00 0.00 57.90 61.62 1p8a n TYR 119 Cb 0.58 -3.95 -0.07 0.00 0.49 0.00 0.00 39.34 36.40 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 1p8a n TYR 120 N -4.28 0.00 0.00 2.98 9.36 -1.26 -4.99 117.16 118.97 1p8a n TYR 120 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1p8a n TYR 120 Cb 0.60 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1p8a n SER 121 N -2.51 0.00 -0.45 2.98 7.64 -1.26 -5.04 113.62 114.98 1p8a n SER 121 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1p8a n SER 121 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1p8a n SER 122 N -0.35 0.00 -0.18 6.43 3.41 -1.26 -4.89 113.62 116.78 1p8a n SER 122 Ca 0.00 -1.23 0.09 0.00 -0.26 0.00 0.00 58.87 57.48 1p8a n SER 122 Cb 0.00 -0.05 0.47 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.54 -0.10 4.04 2.03 -1.26 -3.84 116.55 117.96 1p8a n ASP 123 Ca 0.00 -1.54 -0.18 0.00 0.52 0.00 0.00 54.79 53.59 1p8a n ASP 123 Cb 0.55 -0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.88 -0.29 0.26 0.27 0.00 -1.26 -3.72 105.19 101.33 1p8a n GLY 124 Ca 0.14 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.43 0.30 0.03 1.61 0.04 -1.94 2.24 116.94 118.80 1p8a h PHE 125 Ca -0.47 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.34 1p8a h PHE 125 Cb 1.52 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.65 1p8a h PHE 125 CO -0.03 -0.05 -0.02 -1.00 -0.60 0.00 0.00 178.31 176.61 1p8a h PRO 126 N 0.30 -0.04 0.37 1.51 0.13 -1.80 -3.05 132.00 129.41 1p8a h PRO 126 Ca 0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.51 1p8a h PRO 126 Cb 0.66 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1p8a h PRO 126 CO -0.48 0.59 -0.18 1.79 -0.23 0.00 0.00 178.00 179.49 1p8a h THR 127 N -0.73 0.47 -0.17 1.56 1.35 -1.51 0.42 112.91 114.29 1p8a h THR 127 Ca -0.00 -0.67 0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1p8a h THR 127 Cb 0.65 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1p8a h THR 127 CO 0.01 0.09 -0.11 -0.03 -0.25 0.00 0.00 175.52 175.23 1p8a h MET 128 N -0.95 -0.02 -0.62 4.72 -1.53 0.36 0.28 114.93 117.18 1p8a h MET 128 Ca -0.05 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.23 1p8a h MET 128 Cb 0.53 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.55 1p8a h MET 128 CO 0.08 -0.01 0.39 0.35 0.14 0.00 0.00 176.91 177.86 1p8a h PHE 129 N -0.02 0.74 -0.31 1.39 3.57 -1.63 0.09 116.94 120.76 1p8a h PHE 129 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1p8a h PHE 129 Cb 0.09 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1p8a h PHE 129 CO -0.88 0.44 -0.33 0.00 -2.23 0.00 0.00 178.31 175.31 1p8a h ALA 130 N 1.25 -0.52 -0.37 2.41 0.00 0.81 -0.49 119.26 122.34 1p8a h ALA 130 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1p8a h ALA 130 Cb -0.03 1.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1p8a h ALA 130 CO -0.08 -0.70 0.14 0.66 0.00 0.00 0.00 179.25 179.27 1p8a h SER 131 N -0.18 0.52 -0.94 0.00 4.64 -0.90 0.05 113.55 116.74 1p8a h SER 131 Ca 0.05 -0.18 0.12 0.00 -0.47 0.00 0.00 61.79 61.32 1p8a h SER 131 Cb 0.32 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.14 1p8a h SER 131 CO -0.39 0.56 -0.46 0.40 -0.87 0.00 0.00 176.83 176.06 1p8a h ILE 132 N 0.46 0.01 -0.03 0.95 1.08 0.05 0.16 117.51 120.19 1p8a h ILE 132 Ca 0.12 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1p8a h ILE 132 Cb 0.20 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1p8a h ILE 132 CO -0.01 0.00 -0.23 0.28 -0.69 0.00 0.00 178.15 177.50 1p8a h SER 133 N -0.03 0.25 -0.34 1.72 0.02 -1.02 -2.42 113.55 111.74 1p8a h SER 133 Ca 0.26 -0.71 0.10 0.00 -0.84 0.00 0.00 61.79 60.60 1p8a h SER 133 Cb 0.53 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1p8a h SER 133 CO -0.93 0.92 0.68 0.50 -1.14 0.00 0.00 176.83 176.85 1p8a h LYS 134 N -0.40 0.00 -0.09 3.45 1.63 0.22 0.43 116.57 121.81 1p8a h LYS 134 Ca -0.02 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.67 1p8a h LYS 134 Cb 0.93 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.41 1p8a h LYS 134 CO 0.05 0.00 -0.68 -1.91 -3.45 0.00 0.00 179.45 173.45 1p8a n GLU 135 N -3.13 1.41 -0.01 1.90 2.13 0.43 -4.69 120.64 118.68 1p8a n GLU 135 Ca 0.06 -3.08 0.02 0.00 0.66 0.00 0.00 57.16 54.82 1p8a n GLU 135 Cb 0.81 -1.29 -0.04 0.00 0.27 0.00 0.00 31.44 31.19 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1p8a n MET 136 N -0.67 0.79 -0.09 5.31 1.56 0.15 -4.32 117.12 119.86 1p8a n MET 136 Ca 0.18 -0.04 -0.16 0.00 -0.27 0.00 0.00 57.70 57.41 1p8a n MET 136 Cb 0.83 -1.12 -0.09 0.00 2.15 0.00 0.00 33.22 34.98 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 0.00 0.00 2.12 1.57 -1.83 -3.35 116.57 115.08 1p8a h LYS 137 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1p8a h LYS 137 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1p8a h LYS 137 CO 0.00 0.76 0.00 -0.35 -0.57 0.00 0.00 179.45 179.30 1p8a n PRO 138 N -4.51 0.89 0.00 3.15 -0.04 -1.26 -2.81 135.00 130.42 1p8a n PRO 138 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1p8a n PRO 138 Cb 0.54 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.72 0.00 0.17 0.54 7.35 -1.26 -4.25 117.46 119.30 1p8a n PHE 139 Ca 0.09 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.81 1p8a n PHE 139 Cb 0.04 -0.05 0.39 0.00 0.35 0.00 0.00 39.48 40.21 1p8a n PHE 139 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1p8a h LEU 140 N 0.00 0.09 -1.65 -2.13 8.10 -1.73 0.30 115.31 118.28 1p8a h LEU 140 Ca 0.00 -0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.07 1p8a h LEU 140 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1p8a h LEU 140 CO 0.00 0.35 0.41 0.74 -4.11 0.00 0.00 178.44 175.83 1p8a h THR 141 N 0.08 0.88 0.00 0.15 2.02 -1.67 -3.01 112.91 111.36 1p8a h THR 141 Ca 0.01 -0.13 -0.28 0.00 0.77 0.00 0.00 66.41 66.78 1p8a h THR 141 Cb 0.50 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1p8a h THR 141 CO 0.04 0.07 -2.07 -0.62 0.37 0.00 0.00 175.52 173.31 1p8a n GLU 142 N -4.47 1.02 -0.33 6.66 -0.58 -0.97 -3.81 120.64 118.17 1p8a n GLU 142 Ca 0.10 0.05 0.36 0.00 -0.42 0.00 0.00 57.16 57.25 1p8a n GLU 142 Cb 0.40 -1.39 0.68 0.00 -0.57 0.00 0.00 31.44 30.56 1p8a n GLU 142 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1p8a h HIS 143 N 0.00 0.00 0.00 -0.32 2.76 -0.29 -3.42 115.15 113.88 1p8a h HIS 143 Ca -0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1p8a h HIS 143 Cb 1.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.76 1p8a h HIS 143 CO 0.01 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.05 1p8a n GLY 144 N -1.75 0.31 2.10 5.26 0.00 -1.18 -5.06 105.19 104.87 1p8a n GLY 144 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.74 0.00 0.99 7.94 -1.18 -4.80 117.00 118.20 1p8a n LEU 145 Ca 0.00 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1p8a n LEU 145 Cb 0.00 1.85 0.00 0.00 0.53 0.00 0.00 43.42 45.80 1p8a n LEU 145 CO 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 177.39 176.08