#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a n ALA 2 N 0.00 0.00 -2.44 0.00 0.00 -1.26 -4.63 120.51 112.18 1p8a n ALA 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1p8a n ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1p8a s GLU 3 N 0.00 1.55 0.58 0.00 4.04 -1.26 -5.14 118.70 118.46 1p8a s GLU 3 Ca 0.00 -1.62 -0.10 0.00 0.04 0.00 0.00 54.97 53.29 1p8a s GLU 3 Cb 0.00 -1.71 0.14 0.00 0.02 0.00 0.00 34.13 32.57 1p8a s GLU 3 CO 0.00 0.34 0.68 0.36 -1.84 0.00 0.00 175.26 174.80 1p8a n LYS 4 N -0.15 -1.20 -4.13 -4.83 0.00 -1.26 -4.95 118.16 101.64 1p8a n LYS 4 Ca -0.09 -1.06 -0.15 0.00 -0.00 0.00 0.00 58.31 57.01 1p8a n LYS 4 Cb 0.58 -0.79 -0.06 0.00 -0.00 0.00 0.00 35.03 34.76 1p8a n LYS 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1p8a s LYS 5 N -4.50 1.80 -0.11 -1.58 1.02 -1.06 -4.80 119.74 110.51 1p8a s LYS 5 Ca 0.40 -1.77 -0.04 0.00 0.02 0.00 0.00 55.97 54.58 1p8a s LYS 5 Cb -0.02 0.41 0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1p8a s LYS 5 CO 0.29 -0.72 0.23 0.00 -0.92 0.00 0.00 175.35 174.23 1p8a s ALA 6 N -3.29 -0.45 -0.16 5.17 0.00 -1.26 -0.25 121.76 121.51 1p8a s ALA 6 Ca 0.33 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1p8a s ALA 6 Cb 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1p8a s ALA 6 CO 0.20 -0.43 -0.12 0.08 0.00 0.00 0.00 175.76 175.50 1p8a s VAL 7 N 1.88 2.98 -0.76 0.00 1.01 -0.36 -1.14 120.40 124.01 1p8a s VAL 7 Ca -0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 1p8a s VAL 7 Cb -0.11 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.01 1p8a s VAL 7 CO -0.08 0.50 1.34 -0.22 0.00 0.00 0.00 175.10 176.64 1p8a s LEU 8 N 0.84 3.20 -0.58 3.92 2.96 0.33 -1.17 118.68 128.19 1p8a s LEU 8 Ca -0.04 -0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 53.13 1p8a s LEU 8 Cb -0.15 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.03 1p8a s LEU 8 CO 0.00 -1.85 0.97 -0.36 -1.32 0.00 0.00 176.35 173.80 1p8a s PHE 9 N 5.92 2.74 0.07 5.38 0.40 0.20 -0.09 117.98 132.60 1p8a s PHE 9 Ca 0.38 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1p8a s PHE 9 Cb -0.08 -4.16 -0.04 0.00 0.51 0.00 0.00 43.02 39.26 1p8a s PHE 9 CO 0.13 -1.44 0.13 0.08 0.70 0.00 0.00 175.22 174.82 1p8a s VAL 10 N 4.10 4.91 0.00 -0.44 1.01 -0.38 -1.28 120.40 128.31 1p8a s VAL 10 Ca 0.30 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1p8a s VAL 10 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1p8a s VAL 10 CO 0.18 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.43 1p8a h LEU 12 N 0.00 0.03 -0.79 0.00 7.12 -1.90 -3.41 115.31 116.35 1p8a h LEU 12 Ca 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1p8a h LEU 12 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1p8a h LEU 12 CO 0.00 1.04 0.00 0.61 -0.13 0.00 0.00 178.44 179.96 1p8a n GLY 13 N 1.51 -2.16 3.47 3.75 0.00 -1.26 -4.42 105.19 106.08 1p8a n GLY 13 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1p8a n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p8a n ASN 14 N 0.00 -2.07 0.10 1.61 2.85 -1.26 -4.59 115.26 111.90 1p8a n ASN 14 Ca 0.00 -0.64 0.00 0.00 -0.11 0.00 0.00 54.58 53.83 1p8a n ASN 14 Cb 0.50 -5.00 0.00 0.00 1.24 0.00 0.00 39.78 36.52 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1p8a n ILE 15 N -4.17 0.16 0.00 -1.44 5.41 -1.26 -3.21 119.36 114.85 1p8a n ILE 15 Ca -0.28 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1p8a n ILE 15 Cb 0.67 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p8a n ARG 17 N 0.00 0.00 -2.71 0.00 1.74 -1.26 -3.65 116.66 110.78 1p8a n ARG 17 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1p8a n ARG 17 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 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 2.05 -2.01 0.19 0.55 7.64 -1.26 -4.86 113.62 115.92 1p8a n SER 18 Ca 0.00 -2.84 0.08 0.00 1.01 0.00 0.00 58.87 57.12 1p8a n SER 18 Cb 0.00 1.34 0.28 0.00 -1.01 0.00 0.00 64.21 64.82 1p8a n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1p8a h PRO 19 N 2.31 0.00 0.00 1.43 0.13 -1.82 -2.99 132.00 131.07 1p8a h PRO 19 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1p8a h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1p8a h PRO 19 CO -0.01 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 1p8a n ALA 20 N -2.21 2.48 0.13 -0.56 0.00 -1.26 -3.67 120.51 115.42 1p8a n ALA 20 Ca 0.01 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1p8a n ALA 20 Cb 0.54 -1.15 0.49 0.00 0.00 0.00 0.00 19.45 19.33 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 0.26 -0.43 0.03 0.00 4.81 -1.85 0.02 114.58 117.43 1p8a h GLU 22 Ca 0.07 0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 59.06 1p8a h GLU 22 Cb 0.08 0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.58 1p8a h GLU 22 CO -0.01 -0.29 -1.09 0.78 -0.73 0.00 0.00 179.01 177.68 1p8a h GLY 23 N -0.44 0.72 0.39 1.92 0.00 -1.66 -0.71 103.07 103.28 1p8a h GLY 23 Ca 0.02 -1.32 0.08 0.00 0.00 0.00 0.00 47.33 46.11 1p8a h GLY 23 CO -0.12 1.17 0.12 1.19 0.00 0.00 0.00 176.54 178.89 1p8a h ILE 24 N 0.34 0.74 0.00 2.60 2.10 -0.47 0.40 117.51 123.23 1p8a h ILE 24 Ca -0.14 -0.09 -0.00 0.00 1.08 0.00 0.00 64.86 65.71 1p8a h ILE 24 Cb 1.75 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1p8a h ILE 24 CO 0.21 0.05 -0.00 0.00 -1.08 0.00 0.00 178.15 177.32 1p8a h ARG 26 N -0.96 0.09 0.13 0.00 3.08 -0.98 -0.77 114.38 114.98 1p8a h ARG 26 Ca -0.00 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 1p8a h ARG 26 Cb 0.97 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1p8a h ARG 26 CO 0.00 0.06 -1.85 -0.44 -1.07 0.00 0.00 179.97 176.67 1p8a h ASP 27 N 0.10 0.45 -0.02 7.04 5.19 -0.26 0.65 116.42 129.58 1p8a h ASP 27 Ca 0.30 -0.92 -0.02 0.00 -0.62 0.00 0.00 57.03 55.77 1p8a h ASP 27 Cb 1.04 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1p8a h ASP 27 CO -0.03 1.81 -0.02 -0.03 -3.12 0.00 0.00 179.24 177.84 1p8a h MET 28 N -0.00 0.12 0.00 3.56 4.05 -0.39 -3.30 114.93 118.96 1p8a h MET 28 Ca -0.39 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1p8a h MET 28 Cb 1.99 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 1p8a h MET 28 CO 0.09 0.16 -0.76 0.28 0.23 0.00 0.00 176.91 176.91 1p8a n VAL 29 N -4.44 0.00 0.00 -5.77 0.31 -0.36 -5.07 118.33 103.00 1p8a n VAL 29 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1p8a n VAL 29 Cb 0.15 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 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 2.05 1.77 2.46 2.92 0.00 0.23 -4.64 105.19 109.98 1p8a n GLY 30 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 1p8a n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p8a n ASP 31 N 3.02 -1.22 -2.45 1.61 8.00 -1.26 -4.51 116.55 119.75 1p8a n ASP 31 Ca 0.00 -3.06 -0.01 0.00 0.71 0.00 0.00 54.79 52.43 1p8a n ASP 31 Cb 0.00 0.58 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 1p8a n ASP 31 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1p8a n LYS 32 N 1.30 1.23 0.00 -1.24 5.02 -1.26 -4.57 118.16 118.64 1p8a n LYS 32 Ca 0.15 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1p8a n LYS 32 Cb 0.60 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1p8a n LYS 32 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1p8a n LEU 33 N -0.75 0.00 -4.06 -0.35 -0.00 -0.54 -2.57 117.00 108.72 1p8a n LEU 33 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.59 1p8a n LEU 33 Cb 0.86 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.34 1p8a n LEU 33 CO -0.04 0.00 -1.70 2.30 -0.00 0.00 0.00 177.39 177.95 1p8a n ILE 34 N 0.00 0.00 -4.01 1.47 -6.64 0.66 -4.27 119.36 106.57 1p8a n ILE 34 Ca 0.00 -0.13 -0.31 0.00 -1.77 0.00 0.00 62.75 60.54 1p8a n ILE 34 Cb 0.00 -0.13 -0.15 0.00 -1.44 0.00 0.00 39.64 37.92 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 -2.05 2.13 -0.37 7.28 1.09 -1.26 -1.23 121.20 126.79 1p8a s ILE 35 Ca 0.41 -2.10 -0.22 0.00 -1.10 0.00 0.00 60.65 57.63 1p8a s ILE 35 Cb 0.02 -2.50 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1p8a s ILE 35 CO 0.68 -0.48 0.75 -1.81 -0.10 0.00 0.00 174.94 173.98 1p8a s ASP 36 N 1.01 6.51 -0.26 3.58 1.01 -0.32 -4.76 116.67 123.45 1p8a s ASP 36 Ca 0.06 0.28 -0.29 0.00 0.71 0.00 0.00 52.55 53.31 1p8a s ASP 36 Cb -0.19 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1p8a s ASP 36 CO -0.09 -0.71 1.32 -0.44 0.21 0.00 0.00 175.17 175.46 1p8a s SER 37 N 1.84 6.72 0.46 0.27 0.01 -1.26 0.60 113.70 122.34 1p8a s SER 37 Ca 0.30 1.37 0.03 0.00 1.31 0.00 0.00 55.95 58.96 1p8a s SER 37 Cb -0.13 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1p8a s SER 37 CO 0.17 -1.01 0.01 0.00 0.41 0.00 0.00 173.24 172.82 1p8a s ALA 38 N 4.22 3.66 -0.08 1.44 0.00 -0.41 -4.88 121.76 125.71 1p8a s ALA 38 Ca 0.57 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1p8a s ALA 38 Cb -0.19 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.15 1p8a s ALA 38 CO 0.21 -0.08 0.72 0.00 0.00 0.00 0.00 175.76 176.62 1p8a s ALA 39 N -2.85 -1.79 -0.41 0.00 0.00 -1.26 -2.65 121.76 112.80 1p8a s ALA 39 Ca 0.18 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.58 1p8a s ALA 39 Cb 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1p8a s ALA 39 CO 0.09 -0.36 0.51 -2.37 0.00 0.00 0.00 175.76 173.63 1p8a n THR 40 N 1.01 0.00 -4.41 0.00 5.66 -1.26 -2.10 114.28 113.17 1p8a n THR 40 Ca -0.18 -0.48 -0.20 0.00 -3.05 0.00 0.00 64.05 60.14 1p8a n THR 40 Cb 0.57 1.06 -0.10 0.00 -1.55 0.00 0.00 70.33 70.31 1p8a n THR 40 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1p8a s SER 41 N -0.57 2.04 -0.34 1.09 1.04 -1.26 -5.01 113.70 110.69 1p8a s SER 41 Ca 0.04 -1.41 0.16 0.00 0.48 0.00 0.00 55.95 55.22 1p8a s SER 41 Cb 0.03 0.05 0.44 0.00 0.10 0.00 0.00 66.02 66.65 1p8a s SER 41 CO 0.07 -0.68 1.04 0.61 0.98 0.00 0.00 173.24 175.26 1p8a n GLY 42 N -0.64 1.49 0.10 7.32 0.00 -1.26 -4.78 105.19 107.42 1p8a n GLY 42 Ca -0.02 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 2.78 0.00 -2.24 1.61 0.04 -1.96 -3.41 116.94 113.76 1p8a h PHE 43 Ca -0.14 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.09 1p8a h PHE 43 Cb 1.20 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 39.00 1p8a h PHE 43 CO 0.42 0.00 -0.93 -1.01 -0.60 0.00 0.00 178.31 176.19 1p8a s HIS 44 N -3.24 0.80 0.03 -0.55 3.76 -1.26 -5.11 115.29 109.71 1p8a s HIS 44 Ca 0.04 -2.12 0.03 0.00 -0.15 0.00 0.00 55.06 52.86 1p8a s HIS 44 Cb 0.11 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.99 1p8a s HIS 44 CO 0.73 -0.87 -0.09 0.08 -0.85 0.00 0.00 174.74 173.74 1p8a s VAL 45 N 0.19 0.65 0.00 -0.90 1.01 -1.26 -4.78 120.40 115.31 1p8a s VAL 45 Ca 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1p8a s VAL 45 Cb 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1p8a s VAL 45 CO -0.18 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1p8a n GLY 46 N 1.98 0.86 0.00 4.51 0.00 -1.26 -5.00 105.19 106.28 1p8a n GLY 46 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -2.29 0.00 -2.32 1.61 10.64 -1.26 -5.11 117.38 118.65 1p8a n GLN 47 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 1p8a n GLN 47 Cb 0.00 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.34 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 -0.82 -4.55 2.61 2.88 -1.26 -4.80 113.62 107.67 1p8a n SER 48 Ca 0.00 1.01 -0.39 0.00 -1.33 0.00 0.00 58.87 58.17 1p8a n SER 48 Cb 0.00 -4.21 -0.03 0.00 -0.75 0.00 0.00 64.21 59.22 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 -0.77 2.67 -0.19 -1.46 0.04 -1.26 -4.83 135.00 129.21 1p8a s PRO 49 Ca -0.22 0.70 0.03 0.00 0.04 0.00 0.00 61.00 61.56 1p8a s PRO 49 Cb 0.01 -4.38 0.35 0.00 0.04 0.00 0.00 34.50 30.53 1p8a s PRO 49 CO 0.60 -2.67 1.34 -3.47 0.04 0.00 0.00 177.00 172.84 1p8a n ASP 50 N 12.64 3.35 0.09 6.66 2.03 -1.26 -4.12 116.55 135.93 1p8a n ASP 50 Ca 0.21 -2.68 -0.07 0.00 0.52 0.00 0.00 54.79 52.77 1p8a n ASP 50 Cb 0.52 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.27 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1p8a h THR 51 N 0.95 1.53 -0.01 5.18 2.02 -1.97 -1.28 112.91 119.33 1p8a h THR 51 Ca 0.21 -2.70 -0.01 0.00 0.77 0.00 0.00 66.41 64.69 1p8a h THR 51 Cb 1.70 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 70.60 1p8a h THR 51 CO 0.45 0.78 -0.01 0.03 0.37 0.00 0.00 175.52 177.13 1p8a h ARG 52 N 0.07 0.03 0.30 6.66 2.47 -1.99 0.26 114.38 122.18 1p8a h ARG 52 Ca -0.03 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1p8a h ARG 52 Cb 1.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 1p8a h ARG 52 CO 0.13 0.54 -0.14 1.03 0.56 0.00 0.00 179.97 182.08 1p8a h SER 53 N -0.48 -0.34 -0.07 7.04 0.87 -1.84 -1.34 113.55 117.40 1p8a h SER 53 Ca 0.00 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1p8a h SER 53 Cb 0.53 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1p8a h SER 53 CO 0.00 -0.10 0.02 0.06 -0.53 0.00 0.00 176.83 176.28 1p8a h GLN 54 N -0.57 0.15 0.35 2.24 -0.00 -1.30 -0.49 115.11 115.49 1p8a h GLN 54 Ca -0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1p8a h GLN 54 Cb 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 1p8a h GLN 54 CO 0.07 0.15 -0.17 -0.22 -0.00 0.00 0.00 178.83 178.67 1p8a h LYS 55 N 0.16 -0.45 -0.82 0.06 1.63 -0.02 -1.17 116.57 115.97 1p8a h LYS 55 Ca 0.04 0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.06 1p8a h LYS 55 Cb 0.08 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 1p8a h LYS 55 CO -0.00 -0.30 0.55 -0.39 -3.45 0.00 0.00 179.45 175.86 1p8a h VAL 56 N -0.51 0.70 0.15 2.00 -1.51 -1.13 0.59 116.25 116.53 1p8a h VAL 56 Ca -0.05 -0.10 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1p8a h VAL 56 Cb 0.36 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.87 1p8a h VAL 56 CO 0.08 0.05 -0.18 0.00 -1.23 0.00 0.00 177.57 176.30 1p8a h LYS 58 N -0.37 0.00 0.00 0.00 3.64 0.17 0.48 116.57 120.49 1p8a h LYS 58 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1p8a h LYS 58 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1p8a h LYS 58 CO -0.07 0.16 -0.30 0.45 -2.27 0.00 0.00 179.45 177.43 1p8a n SER 59 N -3.36 0.45 -0.02 4.20 2.88 0.04 -3.84 113.62 113.97 1p8a n SER 59 Ca -0.00 0.20 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1p8a n SER 59 Cb 0.37 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.76 3.11 0.00 -3.46 3.02 0.20 -5.03 115.26 111.33 1p8a n ASN 60 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1p8a n ASN 60 Cb 0.38 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.66 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 2.22 0.62 3.09 7.41 0.00 0.14 -5.07 105.19 113.61 1p8a n GLY 61 Ca -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.91 -1.31 1.61 1.01 0.31 -4.34 120.40 116.77 1p8a s VAL 62 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1p8a s VAL 62 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1p8a s VAL 62 CO 0.00 -0.06 2.00 0.47 0.00 0.00 0.00 175.10 177.52 1p8a n ASP 63 N 5.41 4.06 -3.07 3.32 8.00 -1.26 -3.84 116.55 129.17 1p8a n ASP 63 Ca 0.02 -2.84 -0.10 0.00 0.71 0.00 0.00 54.79 52.58 1p8a n ASP 63 Cb 0.52 -1.64 0.10 0.00 -0.02 0.00 0.00 41.12 40.08 1p8a n ASP 63 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1p8a n ILE 64 N 5.84 0.00 -2.75 0.53 -5.35 -1.26 -4.30 119.36 112.07 1p8a n ILE 64 Ca 0.50 -0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.90 1p8a n ILE 64 Cb 0.42 -0.33 0.05 0.00 -1.74 0.00 0.00 39.64 38.04 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 -3.94 -2.89 -2.86 7.28 7.64 -1.26 -4.99 113.62 112.60 1p8a n SER 65 Ca 0.05 -3.29 -0.02 0.00 1.01 0.00 0.00 58.87 56.62 1p8a n SER 65 Cb 0.20 1.82 -0.02 0.00 -1.01 0.00 0.00 64.21 65.21 1p8a n SER 65 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1p8a n LYS 66 N 1.66 -2.75 0.37 1.43 5.02 -1.26 -4.87 118.16 117.76 1p8a n LYS 66 Ca 0.09 2.27 -0.19 0.00 -2.02 0.00 0.00 58.31 58.46 1p8a n LYS 66 Cb 0.63 -3.33 -0.10 0.00 -0.02 0.00 0.00 35.03 32.21 1p8a n LYS 66 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1p8a h GLN 67 N 4.04 -1.09 -5.70 1.97 1.08 -1.94 -3.48 115.11 110.00 1p8a h GLN 67 Ca -0.20 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1p8a h GLN 67 Cb 0.62 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1p8a h GLN 67 CO 0.03 -0.73 -0.97 -2.13 -0.95 0.00 0.00 178.83 174.08 1p8a n ARG 68 N -5.61 -2.18 -1.76 1.46 0.63 -1.26 -4.78 116.66 103.16 1p8a n ARG 68 Ca -0.14 1.95 -0.42 0.00 -0.92 0.00 0.00 57.85 58.32 1p8a n ARG 68 Cb 0.49 -3.23 -0.03 0.00 0.45 0.00 0.00 32.46 30.14 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1p8a s ALA 69 N -1.13 3.88 0.03 5.13 0.00 -1.20 -4.99 121.76 123.48 1p8a s ALA 69 Ca -0.03 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1p8a s ALA 69 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1p8a s ALA 69 CO 0.41 -0.93 -0.01 -0.98 0.00 0.00 0.00 175.76 174.25 1p8a s ARG 70 N 0.72 0.39 0.34 0.00 1.70 -1.26 -4.86 118.95 115.98 1p8a s ARG 70 Ca 0.71 -0.73 -0.26 0.00 -0.47 0.00 0.00 55.73 54.99 1p8a s ARG 70 Cb -0.49 0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.94 1p8a s ARG 70 CO 0.36 -0.07 1.01 -1.14 -1.08 0.00 0.00 175.30 174.39 1p8a s GLN 71 N -2.00 4.43 0.38 3.89 0.74 -1.26 -4.06 119.66 121.77 1p8a s GLN 71 Ca -0.11 1.49 -0.25 0.00 0.05 0.00 0.00 55.36 56.54 1p8a s GLN 71 Cb -0.06 -2.77 -0.09 0.00 1.10 0.00 0.00 33.01 31.19 1p8a s GLN 71 CO -0.03 0.10 1.04 -1.50 -0.55 0.00 0.00 175.29 174.35 1p8a s ILE 72 N -1.54 3.77 0.00 -2.34 2.07 -0.89 -4.86 121.20 117.41 1p8a s ILE 72 Ca 0.52 1.40 0.00 0.00 -1.41 0.00 0.00 60.65 61.16 1p8a s ILE 72 Cb -0.22 -3.74 0.00 0.00 0.13 0.00 0.00 42.46 38.62 1p8a s ILE 72 CO 0.28 0.05 0.00 1.07 -1.91 0.00 0.00 174.94 174.43 1p8a n THR 73 N 0.11 0.00 0.07 4.00 5.66 -1.26 -5.01 114.28 117.85 1p8a n THR 73 Ca 0.04 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.05 1p8a n THR 73 Cb 0.49 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1p8a n THR 73 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1p8a n LYS 74 N 0.00 3.08 0.00 1.09 5.02 -1.26 -4.57 118.16 121.52 1p8a n LYS 74 Ca 0.00 -0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.12 1p8a n LYS 74 Cb 0.00 -0.79 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a n ALA 75 N -0.50 4.07 -0.28 7.82 0.00 -1.26 -4.39 120.51 125.97 1p8a n ALA 75 Ca 0.01 -0.53 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1p8a n ALA 75 Cb 0.03 -0.89 0.18 0.00 0.00 0.00 0.00 19.45 18.77 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 0.62 -0.40 -1.05 0.00 5.19 -1.97 1.42 116.42 120.24 1p8a h ASP 76 Ca 0.00 0.21 0.27 0.00 -0.62 0.00 0.00 57.03 56.90 1p8a h ASP 76 Cb 0.55 0.38 -0.10 0.00 0.18 0.00 0.00 39.33 40.35 1p8a h ASP 76 CO 0.00 -0.21 0.67 -0.26 -3.12 0.00 0.00 179.24 176.32 1p8a h PHE 77 N 0.08 0.68 0.00 4.55 0.04 -1.90 0.35 116.94 120.75 1p8a h PHE 77 Ca 0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1p8a h PHE 77 Cb 0.80 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1p8a h PHE 77 CO -0.46 0.05 -1.50 0.45 -0.60 0.00 0.00 178.31 176.25 1p8a n SER 78 N -4.65 0.67 0.24 2.17 2.88 0.21 -4.23 113.62 110.91 1p8a n SER 78 Ca 0.26 -0.38 0.11 0.00 -1.33 0.00 0.00 58.87 57.53 1p8a n SER 78 Cb 0.89 1.54 0.62 0.00 -0.75 0.00 0.00 64.21 66.52 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 79 N 0.00 0.00 -5.00 -1.46 1.63 0.38 -3.44 116.57 108.67 1p8a h LYS 79 Ca 0.00 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.41 1p8a h LYS 79 Cb 0.72 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.21 1p8a h LYS 79 CO 0.00 0.17 -0.62 -0.06 -3.45 0.00 0.00 179.45 175.50 1p8a s PHE 80 N -4.12 1.67 -0.01 1.91 0.08 -0.98 -5.04 117.98 111.48 1p8a s PHE 80 Ca -0.02 -1.09 0.02 0.00 0.12 0.00 0.00 56.93 55.96 1p8a s PHE 80 Cb 0.13 -1.01 -0.25 0.00 -0.57 0.00 0.00 43.02 41.31 1p8a s PHE 80 CO 0.62 -0.21 0.80 -0.44 -0.10 0.00 0.00 175.22 175.89 1p8a h ASP 81 N 2.31 0.23 -4.57 1.36 5.19 -1.84 -3.46 116.42 115.65 1p8a h ASP 81 Ca -0.39 -0.36 -0.30 0.00 -0.62 0.00 0.00 57.03 55.36 1p8a h ASP 81 Cb 1.24 -0.07 -0.19 0.00 0.18 0.00 0.00 39.33 40.49 1p8a h ASP 81 CO 0.64 1.30 -0.73 -0.69 -3.12 0.00 0.00 179.24 176.64 1p8a s VAL 82 N -2.62 0.78 -0.07 -1.35 1.01 -0.29 -3.81 120.40 114.05 1p8a s VAL 82 Ca -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.49 1p8a s VAL 82 Cb 0.08 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1p8a s VAL 82 CO 0.83 -0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.71 1p8a s ILE 83 N -2.05 1.02 0.02 2.22 1.01 0.25 -0.51 121.20 123.16 1p8a s ILE 83 Ca -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1p8a s ILE 83 Cb -0.05 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1p8a s ILE 83 CO -0.00 0.34 -0.19 0.00 0.00 0.00 0.00 174.94 175.09 1p8a s ALA 84 N 0.87 1.56 0.21 9.38 0.00 0.87 -0.13 121.76 134.53 1p8a s ALA 84 Ca -0.11 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.02 1p8a s ALA 84 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1p8a s ALA 84 CO 0.01 0.35 -0.06 0.00 0.00 0.00 0.00 175.76 176.07 1p8a s ALA 85 N -0.68 3.04 -0.16 0.00 0.00 -0.14 -1.25 121.76 122.57 1p8a s ALA 85 Ca 0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 1p8a s ALA 85 Cb -0.08 -0.77 -0.16 0.00 0.00 0.00 0.00 23.12 22.11 1p8a s ALA 85 CO 0.01 0.40 0.31 1.25 0.00 0.00 0.00 175.76 177.72 1p8a h LEU 86 N 2.52 0.00 0.00 0.00 5.85 -0.83 0.28 115.31 123.12 1p8a h LEU 86 Ca -0.46 -0.52 -0.24 0.00 0.84 0.00 0.00 57.88 57.50 1p8a h LEU 86 Cb 1.22 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.27 1p8a h LEU 86 CO 0.57 1.08 -0.03 0.47 -0.34 0.00 0.00 178.44 180.19 1p8a n ASP 87 N -4.57 1.04 0.01 1.25 9.92 -1.26 -4.49 116.55 118.45 1p8a n ASP 87 Ca -0.17 -1.76 -0.16 0.00 -0.53 0.00 0.00 54.79 52.17 1p8a n ASP 87 Cb 0.46 -0.22 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1p8a h GLN 88 N 0.00 0.18 -0.96 -1.24 4.20 -1.99 -3.33 115.11 111.97 1p8a h GLN 88 Ca -0.14 -0.31 0.27 0.00 0.06 0.00 0.00 58.65 58.54 1p8a h GLN 88 Cb 0.63 0.11 -0.14 0.00 0.30 0.00 0.00 27.48 28.38 1p8a h GLN 88 CO 0.19 0.96 0.48 0.77 -0.67 0.00 0.00 178.83 180.57 1p8a h SER 89 N 0.05 0.42 0.19 1.46 0.02 -1.98 0.37 113.55 114.08 1p8a h SER 89 Ca -0.33 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1p8a h SER 89 Cb 2.02 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.71 1p8a h SER 89 CO 0.11 -0.07 -0.09 0.40 -1.14 0.00 0.00 176.83 176.03 1p8a h ILE 90 N 0.37 0.84 0.00 3.27 5.03 -1.92 -0.18 117.51 124.92 1p8a h ILE 90 Ca 0.66 -0.99 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1p8a h ILE 90 Cb 1.38 1.36 0.00 0.00 -3.03 0.00 0.00 36.82 36.53 1p8a h ILE 90 CO -0.58 0.20 0.00 0.25 -0.68 0.00 0.00 178.15 177.34 1p8a h LEU 91 N -0.81 0.00 0.08 1.44 5.85 -1.34 0.39 115.31 120.93 1p8a h LEU 91 Ca -0.03 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.33 1p8a h LEU 91 Cb 0.52 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1p8a h LEU 91 CO 0.04 0.00 -2.09 -0.24 -0.34 0.00 0.00 178.44 175.81 1p8a n SER 92 N -2.42 2.06 0.12 1.25 2.88 0.12 -3.96 113.62 113.67 1p8a n SER 92 Ca -0.02 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1p8a n SER 92 Cb 0.05 -0.75 0.21 0.00 -0.75 0.00 0.00 64.21 62.97 1p8a n SER 92 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1p8a h ASP 93 N -0.08 0.00 -0.11 -3.46 5.19 -0.48 -3.32 116.42 114.16 1p8a h ASP 93 Ca -0.47 -0.07 -0.23 0.00 -0.62 0.00 0.00 57.03 55.64 1p8a h ASP 93 Cb 1.92 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.44 1p8a h ASP 93 CO -0.01 0.03 -0.84 -0.29 -3.12 0.00 0.00 179.24 175.01 1p8a h ILE 94 N 0.00 1.28 0.00 0.35 2.10 -0.41 -2.95 117.51 117.88 1p8a h ILE 94 Ca 0.00 -2.04 0.00 0.00 1.08 0.00 0.00 64.86 63.90 1p8a h ILE 94 Cb 0.84 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.67 1p8a h ILE 94 CO 0.00 0.64 0.00 -0.46 -1.08 0.00 0.00 178.15 177.25 1p8a n ASN 95 N -3.93 0.00 0.10 2.19 0.23 -1.25 -2.00 115.26 110.61 1p8a n ASN 95 Ca -0.09 0.48 -0.22 0.00 -0.53 0.00 0.00 54.58 54.22 1p8a n ASN 95 Cb 0.78 -0.49 -0.15 0.00 -2.08 0.00 0.00 39.78 37.84 1p8a n ASN 95 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1p8a h SER 96 N 0.00 0.65 0.54 0.53 0.87 -1.65 -3.35 113.55 111.14 1p8a h SER 96 Ca 0.00 -0.81 -0.29 0.00 -1.23 0.00 0.00 61.79 59.46 1p8a h SER 96 Cb 0.20 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1p8a h SER 96 CO 0.00 1.66 -1.46 0.00 -0.53 0.00 0.00 176.83 176.50 1p8a h MET 97 N 0.11 0.19 -6.35 2.24 -0.00 -1.53 -3.45 114.93 106.13 1p8a h MET 97 Ca -0.27 -0.32 -0.63 0.00 -0.00 0.00 0.00 59.70 58.47 1p8a h MET 97 Cb 2.10 0.12 0.04 0.00 -0.00 0.00 0.00 31.60 33.87 1p8a h MET 97 CO 0.22 1.04 0.79 1.63 -0.00 0.00 0.00 176.91 180.59 1p8a n LYS 98 N -3.40 1.79 0.00 -0.10 5.02 -0.84 -4.93 118.16 115.69 1p8a n LYS 98 Ca -0.14 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1p8a n LYS 98 Cb 1.03 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 4.17 0.00 0.00 1.97 -0.04 -1.26 -4.97 135.00 134.87 1p8a n PRO 99 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1p8a n PRO 99 Cb 0.25 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 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 -0.12 0.00 -2.35 3.54 7.64 -1.26 -4.99 113.62 116.07 1p8a n SER 100 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1p8a n SER 100 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1p8a n SER 100 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p8a n ASN 101 N 0.00 7.17 -0.05 6.43 2.85 -1.26 -4.90 115.26 125.50 1p8a n ASN 101 Ca 0.00 -3.52 0.00 0.00 -0.11 0.00 0.00 54.58 50.95 1p8a n ASN 101 Cb 0.00 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 39.96 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p8a n ARG 103 N 0.00 0.00 -4.25 0.00 0.00 -1.26 -5.13 116.66 106.02 1p8a n ARG 103 Ca 0.00 -0.72 -0.14 0.00 -0.00 0.00 0.00 57.85 56.99 1p8a n ARG 103 Cb 0.00 0.38 -0.10 0.00 -0.00 0.00 0.00 32.46 32.74 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N 0.00 1.40 0.07 2.89 0.00 -1.26 -4.94 121.76 119.92 1p8a s ALA 104 Ca 0.00 -1.54 0.09 0.00 0.00 0.00 0.00 51.96 50.52 1p8a s ALA 104 Cb 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1p8a s ALA 104 CO 0.00 -0.20 -0.25 0.21 0.00 0.00 0.00 175.76 175.51 1p8a s LYS 105 N -3.82 1.73 -0.14 0.00 2.20 -1.25 -4.97 119.74 113.48 1p8a s LYS 105 Ca 0.20 -1.16 -0.03 0.00 -0.36 0.00 0.00 55.97 54.61 1p8a s LYS 105 Cb 0.04 -1.99 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1p8a s LYS 105 CO 0.02 0.50 -0.03 0.14 -0.36 0.00 0.00 175.35 175.62 1p8a s VAL 106 N -0.89 4.01 0.12 4.02 -7.23 -1.26 -0.59 120.40 118.59 1p8a s VAL 106 Ca 0.13 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.02 1p8a s VAL 106 Cb -0.10 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1p8a s VAL 106 CO 0.04 0.52 -0.11 0.68 -0.31 0.00 0.00 175.10 175.91 1p8a s VAL 107 N 0.08 1.15 -0.57 1.32 -7.23 0.82 -4.98 120.40 110.99 1p8a s VAL 107 Ca 0.00 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.18 1p8a s VAL 107 Cb -0.13 -1.57 0.08 0.00 0.56 0.00 0.00 36.38 35.32 1p8a s VAL 107 CO 0.02 -0.56 0.75 -0.22 -0.31 0.00 0.00 175.10 174.78 1p8a s LEU 108 N -2.67 4.93 -1.22 1.32 2.96 -1.26 -0.97 118.68 121.77 1p8a s LEU 108 Ca 0.10 -1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 52.75 1p8a s LEU 108 Cb -0.02 -2.42 0.08 0.00 0.50 0.00 0.00 46.19 44.32 1p8a s LEU 108 CO 0.01 -1.12 1.63 0.12 -1.32 0.00 0.00 176.35 175.68 1p8a s PHE 109 N 3.06 2.79 -0.26 5.38 5.36 0.97 -4.87 117.98 130.41 1p8a s PHE 109 Ca 0.17 -1.48 -0.26 0.00 -0.96 0.00 0.00 56.93 54.39 1p8a s PHE 109 Cb -0.20 -4.69 0.14 0.00 -0.34 0.00 0.00 43.02 37.92 1p8a s PHE 109 CO 0.10 -1.80 1.10 1.21 -1.46 0.00 0.00 175.22 174.37 1p8a s ASN 110 N 4.27 -0.36 1.03 6.13 2.47 -1.26 -4.48 114.94 122.74 1p8a s ASN 110 Ca 0.51 0.64 -0.16 0.00 0.42 0.00 0.00 52.86 54.27 1p8a s ASN 110 Cb 0.02 0.63 0.21 0.00 -1.45 0.00 0.00 41.25 40.66 1p8a s ASN 110 CO 0.03 -0.16 1.18 -2.16 -3.72 0.00 0.00 177.10 172.26 1p8a s PRO 111 N -0.09 0.13 -0.26 0.43 0.04 -1.26 -4.86 135.00 129.13 1p8a s PRO 111 Ca 0.03 -0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 1p8a s PRO 111 Cb -0.04 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 1p8a s PRO 111 CO -0.06 -2.82 2.48 -0.35 0.04 0.00 0.00 177.00 176.28 1p8a n PRO 112 N -4.14 1.58 0.00 0.56 -0.04 -1.26 -3.09 135.00 128.61 1p8a n PRO 112 Ca 0.11 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1p8a n PRO 112 Cb 0.59 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N 3.02 0.00 0.00 3.54 3.02 -1.26 -5.13 115.26 118.45 1p8a n ASN 113 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1p8a n ASN 113 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 114 N -0.68 0.46 3.55 7.41 0.00 -1.18 -4.91 105.19 109.84 1p8a n GLY 114 Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1p8a n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p8a n VAL 115 N 1.22 -0.07 -3.04 1.61 0.31 -1.26 -4.92 118.33 112.19 1p8a n VAL 115 Ca 0.00 -0.68 -0.34 0.00 -0.01 0.00 0.00 64.34 63.31 1p8a n VAL 115 Cb 0.00 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 30.44 1p8a n VAL 115 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1p8a s ASP 116 N 11.56 6.93 -0.39 4.52 -4.77 -1.26 -4.92 116.67 128.34 1p8a s ASP 116 Ca 1.02 1.44 0.03 0.00 -3.30 0.00 0.00 52.55 51.74 1p8a s ASP 116 Cb -0.28 -2.43 0.16 0.00 -1.09 0.00 0.00 42.92 39.27 1p8a s ASP 116 CO 0.26 -0.16 0.37 -0.62 0.70 0.00 0.00 175.17 175.72 1p8a s ASP 117 N -2.03 1.33 1.03 2.11 2.15 -1.26 -4.84 116.67 115.16 1p8a s ASP 117 Ca 0.52 -1.95 -0.15 0.00 0.43 0.00 0.00 52.55 51.40 1p8a s ASP 117 Cb -0.12 0.33 0.21 0.00 -0.30 0.00 0.00 42.92 43.03 1p8a s ASP 117 CO 0.18 -0.24 1.14 -2.16 -0.17 0.00 0.00 175.17 173.93 1p8a s PRO 118 N 1.09 0.16 0.30 4.34 0.04 -1.26 -4.76 135.00 134.91 1p8a s PRO 118 Ca 0.21 0.13 0.10 0.00 0.04 0.00 0.00 61.00 61.47 1p8a s PRO 118 Cb -0.13 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 1p8a s PRO 118 CO -0.05 -2.83 -0.04 0.71 0.04 0.00 0.00 177.00 174.83 1p8a s TYR 119 N -3.21 2.55 -1.57 0.56 2.02 -1.26 -4.66 117.35 111.77 1p8a s TYR 119 Ca 0.68 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.91 1p8a s TYR 119 Cb -0.13 -1.27 0.10 0.00 -0.40 0.00 0.00 41.96 40.27 1p8a s TYR 119 CO 0.55 0.58 0.84 0.66 -1.57 0.00 0.00 175.55 176.62 1p8a n TYR 120 N -0.86 -2.01 -3.73 2.71 4.02 -1.26 -4.92 117.16 111.12 1p8a n TYR 120 Ca -0.05 0.85 -0.07 0.00 -0.01 0.00 0.00 57.90 58.62 1p8a n TYR 120 Cb 0.61 -3.59 -0.01 0.00 -0.02 0.00 0.00 39.34 36.32 1p8a n TYR 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1p8a n SER 121 N -2.79 -0.76 -2.81 7.72 2.88 -1.26 -5.08 113.62 111.51 1p8a n SER 121 Ca 0.00 -1.90 -0.01 0.00 -1.33 0.00 0.00 58.87 55.63 1p8a n SER 121 Cb 0.54 1.38 0.06 0.00 -0.75 0.00 0.00 64.21 65.44 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1p8a n SER 122 N -1.76 0.99 -2.69 -3.46 3.41 -1.26 -4.94 113.62 103.92 1p8a n SER 122 Ca -0.01 -2.07 -0.27 0.00 -0.26 0.00 0.00 58.87 56.27 1p8a n SER 122 Cb 0.29 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.77 4.56 0.00 4.04 2.03 -1.26 -4.68 116.55 120.47 1p8a n ASP 123 Ca 0.02 -3.69 0.00 0.00 0.52 0.00 0.00 54.79 51.64 1p8a n ASP 123 Cb 0.82 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.37 0.00 0.33 0.27 0.00 -1.26 -4.88 105.19 99.28 1p8a n GLY 124 Ca 0.35 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.52 0.00 1.61 0.04 -1.91 0.65 116.94 116.80 1p8a h PHE 125 Ca 0.00 0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1p8a h PHE 125 Cb 0.00 0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1p8a h PHE 125 CO 0.00 -0.39 0.00 -0.35 -0.60 0.00 0.00 178.31 176.97 1p8a n PRO 126 N -5.57 0.00 -0.32 1.51 -0.04 -1.26 -2.88 135.00 126.44 1p8a n PRO 126 Ca 0.14 0.25 0.31 0.00 -0.04 0.00 0.00 63.50 64.16 1p8a n PRO 126 Cb 0.45 -0.97 0.57 0.00 -0.04 0.00 0.00 33.50 33.51 1p8a n PRO 126 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1p8a n THR 127 N -1.26 -0.42 0.00 0.52 5.66 -1.15 -1.28 114.28 116.35 1p8a n THR 127 Ca 0.00 2.04 0.00 0.00 -3.05 0.00 0.00 64.05 63.04 1p8a n THR 127 Cb 0.00 -3.29 0.00 0.00 -1.55 0.00 0.00 70.33 65.49 1p8a n THR 127 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 1p8a n MET 128 N -5.27 0.00 -0.31 1.09 0.00 0.22 0.41 117.12 113.27 1p8a n MET 128 Ca 0.37 0.17 0.02 0.00 0.00 0.00 0.00 57.70 58.26 1p8a n MET 128 Cb 1.25 -1.05 0.09 0.00 0.00 0.00 0.00 33.22 33.50 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 -0.64 -0.03 1.12 3.04 -1.25 1.83 116.94 121.01 1p8a h PHE 129 Ca 0.00 0.08 0.01 0.00 3.98 0.00 0.00 57.97 62.04 1p8a h PHE 129 Cb 0.00 0.41 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1p8a h PHE 129 CO -0.01 -0.38 0.07 0.00 -2.02 0.00 0.00 178.31 175.97 1p8a h ALA 130 N 1.66 1.31 0.00 2.41 0.00 -1.08 0.29 119.26 123.85 1p8a h ALA 130 Ca 0.38 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.08 1p8a h ALA 130 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1p8a h ALA 130 CO -0.88 -0.08 -1.22 0.45 0.00 0.00 0.00 179.25 177.52 1p8a n SER 131 N -3.40 1.86 0.23 0.00 2.88 0.58 -1.30 113.62 114.47 1p8a n SER 131 Ca -0.02 0.45 0.16 0.00 -1.33 0.00 0.00 58.87 58.12 1p8a n SER 131 Cb 0.14 -0.95 0.81 0.00 -0.75 0.00 0.00 64.21 63.46 1p8a n SER 131 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1p8a h ILE 132 N -1.00 0.00 0.00 2.46 2.10 -0.07 0.25 117.51 121.25 1p8a h ILE 132 Ca -0.32 -0.06 -0.34 0.00 1.08 0.00 0.00 64.86 65.22 1p8a h ILE 132 Cb 1.22 0.79 -0.05 0.00 -1.09 0.00 0.00 36.82 37.68 1p8a h ILE 132 CO -0.19 0.00 -1.92 -0.24 -1.08 0.00 0.00 178.15 174.72 1p8a n SER 133 N -2.60 1.92 0.31 2.19 2.88 0.99 -3.97 113.62 115.34 1p8a n SER 133 Ca -0.01 0.38 0.20 0.00 -1.33 0.00 0.00 58.87 58.11 1p8a n SER 133 Cb 0.09 -0.87 1.01 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.00 0.00 0.00 -1.46 3.64 -0.96 -1.80 116.57 114.99 1p8a h LYS 134 Ca -0.51 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.69 1p8a h LYS 134 Cb 1.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 1p8a h LYS 134 CO -0.31 0.01 -0.85 1.49 -2.27 0.00 0.00 179.45 177.52 1p8a h GLU 135 N 0.00 0.01 0.00 1.90 4.22 -1.13 -3.04 114.58 116.54 1p8a h GLU 135 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1p8a h GLU 135 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1p8a h GLU 135 CO 0.00 0.86 0.00 -0.12 -2.18 0.00 0.00 179.01 177.57 1p8a n MET 136 N -3.54 0.88 -0.09 1.92 0.00 -0.68 -2.92 117.12 112.70 1p8a n MET 136 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.70 57.56 1p8a n MET 136 Cb 0.81 -1.24 -0.07 0.00 0.00 0.00 0.00 33.22 32.72 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1p8a h LYS 137 N 0.00 0.00 0.00 2.12 1.79 -1.60 -3.12 116.57 115.76 1p8a h LYS 137 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1p8a h LYS 137 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1p8a h LYS 137 CO 0.00 0.54 0.00 -0.35 -1.08 0.00 0.00 179.45 178.56 1p8a n PRO 138 N -4.53 0.04 0.00 3.15 -0.04 -1.24 -3.41 135.00 128.97 1p8a n PRO 138 Ca -0.19 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1p8a n PRO 138 Cb 0.47 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.62 0.00 -0.30 0.54 7.35 -1.15 -4.34 117.46 117.94 1p8a n PHE 139 Ca 0.06 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.66 1p8a n PHE 139 Cb 0.31 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.06 1p8a n PHE 139 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1p8a h LEU 140 N 0.00 -1.69 -1.85 -2.13 5.85 -1.74 1.63 115.31 115.38 1p8a h LEU 140 Ca 0.00 0.25 0.49 0.00 0.84 0.00 0.00 57.88 59.46 1p8a h LEU 140 Cb 0.00 0.74 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 1p8a h LEU 140 CO 0.00 -0.20 1.29 0.74 -0.34 0.00 0.00 178.44 179.92 1p8a h THR 141 N -0.04 0.08 0.00 1.05 2.02 -1.28 0.82 112.91 115.55 1p8a h THR 141 Ca 0.12 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.10 1p8a h THR 141 Cb 0.35 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1p8a h THR 141 CO -0.71 0.00 -2.13 -0.62 0.37 0.00 0.00 175.52 172.43 1p8a n GLU 142 N -3.86 0.81 0.28 6.66 -0.58 0.45 -3.87 120.64 120.54 1p8a n GLU 142 Ca 0.37 -0.08 0.17 0.00 -0.42 0.00 0.00 57.16 57.20 1p8a n GLU 142 Cb 1.79 -1.48 0.81 0.00 -0.57 0.00 0.00 31.44 32.00 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 0.86 -3.44 115.15 115.01 1p8a h HIS 143 Ca -0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1p8a h HIS 143 Cb 1.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.60 1p8a h HIS 143 CO 0.00 0.05 0.00 0.41 -1.30 0.00 0.00 177.93 177.09 1p8a n GLY 144 N -0.43 0.20 2.95 5.26 0.00 -0.68 -5.04 105.19 107.45 1p8a n GLY 144 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1p8a n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p8a s LEU 145 N 0.00 -0.52 0.00 0.99 0.20 -0.93 -4.57 118.68 113.85 1p8a s LEU 145 Ca 0.00 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.68 1p8a s LEU 145 Cb 0.00 0.91 0.00 0.00 -0.43 0.00 0.00 46.19 46.67 1p8a s LEU 145 CO 0.00 -0.07 0.01 0.00 -0.29 0.00 0.00 176.35 176.00