#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 3.36 0.33 0.00 0.00 -1.26 -5.08 121.76 119.11 1p8a s ALA 2 Ca 0.00 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 50.66 1p8a s ALA 2 Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 1p8a s ALA 2 CO 0.00 -0.95 -0.10 -2.00 0.00 0.00 0.00 175.76 172.70 1p8a s GLU 3 N 1.65 1.84 0.00 0.00 2.56 -1.26 -5.14 118.70 118.35 1p8a s GLU 3 Ca 0.05 -1.85 0.00 0.00 0.00 0.00 0.00 54.97 53.17 1p8a s GLU 3 Cb -0.17 -1.77 0.00 0.00 2.00 0.00 0.00 34.13 34.19 1p8a s GLU 3 CO 0.08 0.19 0.00 1.17 -0.56 0.00 0.00 175.26 176.14 1p8a n LYS 4 N -0.78 1.97 -0.46 4.30 3.00 -1.26 -4.98 118.16 119.95 1p8a n LYS 4 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1p8a n LYS 4 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 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 0.00 1.64 5.02 -1.26 -4.99 118.16 118.57 1p8a n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1p8a n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a n ALA 6 N -3.00 0.00 -2.40 7.82 0.00 -1.26 0.07 120.51 121.74 1p8a n ALA 6 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1p8a n ALA 6 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1p8a n ALA 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1p8a s VAL 7 N 0.00 4.87 -0.98 0.00 -7.23 -0.49 -0.88 120.40 115.70 1p8a s VAL 7 Ca 0.00 1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 61.09 1p8a s VAL 7 Cb 0.00 -3.84 0.14 0.00 0.56 0.00 0.00 36.38 33.24 1p8a s VAL 7 CO 0.00 0.53 1.17 -0.22 -0.31 0.00 0.00 175.10 176.27 1p8a s LEU 8 N -0.86 5.11 -0.28 1.32 2.96 0.16 0.28 118.68 127.37 1p8a s LEU 8 Ca 0.27 -2.25 -0.29 0.00 -0.22 0.00 0.00 54.13 51.65 1p8a s LEU 8 Cb -0.18 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1p8a s LEU 8 CO 0.17 -0.99 1.47 -0.36 -1.32 0.00 0.00 176.35 175.32 1p8a s PHE 9 N 2.39 2.36 0.18 5.38 0.08 0.20 0.41 117.98 128.98 1p8a s PHE 9 Ca 0.34 0.69 -0.24 0.00 0.12 0.00 0.00 56.93 57.85 1p8a s PHE 9 Cb -0.05 -4.00 0.06 0.00 -0.57 0.00 0.00 43.02 38.47 1p8a s PHE 9 CO -0.08 -2.33 0.94 0.54 -0.10 0.00 0.00 175.22 174.19 1p8a s VAL 10 N 4.97 0.00 0.00 -0.44 0.11 -0.12 -1.47 120.40 123.45 1p8a s VAL 10 Ca 0.64 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1p8a s VAL 10 Cb -0.20 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.52 1p8a s VAL 10 CO 0.27 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.04 1p8a n LEU 12 N 0.00 -2.65 0.00 0.00 4.32 -1.26 -4.87 117.00 112.54 1p8a n LEU 12 Ca 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 55.08 1p8a n LEU 12 Cb 0.00 -2.44 0.00 0.00 -1.62 0.00 0.00 43.42 39.36 1p8a n LEU 12 CO 0.00 0.42 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1p8a n GLY 13 N -1.77 -1.94 0.31 -0.72 0.00 -1.26 -4.97 105.19 94.83 1p8a n GLY 13 Ca -0.30 0.92 0.12 0.00 0.00 0.00 0.00 46.02 46.76 1p8a n GLY 13 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1p8a h ASN 14 N 0.00 -0.14 0.08 1.61 -0.00 -1.85 2.10 115.58 117.39 1p8a h ASN 14 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 1p8a h ASN 14 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1p8a h ASN 14 CO 0.00 -0.20 0.00 -0.38 -0.00 0.00 0.00 177.43 176.85 1p8a n ILE 15 N -5.29 1.45 -3.91 2.57 5.41 -1.26 -4.22 119.36 114.10 1p8a n ILE 15 Ca 0.20 0.57 -0.28 0.00 1.00 0.00 0.00 62.75 64.25 1p8a n ILE 15 Cb 0.67 -1.55 -0.03 0.00 -0.71 0.00 0.00 39.64 38.02 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 -0.31 -1.80 -0.04 0.00 3.00 -1.26 -4.81 116.66 111.44 1p8a n ARG 17 Ca -0.06 0.54 -0.03 0.00 -0.01 0.00 0.00 57.85 58.29 1p8a n ARG 17 Cb 0.53 -4.92 -0.01 0.00 0.00 0.00 0.00 32.46 28.06 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1p8a n SER 18 N -0.95 1.05 0.00 0.55 7.64 -1.26 -3.19 113.62 117.46 1p8a n SER 18 Ca -0.02 0.42 0.11 0.00 1.01 0.00 0.00 58.87 60.39 1p8a n SER 18 Cb 0.48 -0.70 0.64 0.00 -1.01 0.00 0.00 64.21 63.63 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 -3.61 0.61 -0.12 1.43 -0.04 -1.26 -2.44 135.00 129.57 1p8a n PRO 19 Ca -0.05 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.21 1p8a n PRO 19 Cb 0.18 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.07 1.50 -0.07 0.55 0.00 -1.26 -4.04 120.51 116.12 1p8a n ALA 20 Ca 0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1p8a n ALA 20 Cb 0.10 0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.71 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 0.63 0.70 -0.06 0.00 4.57 -1.71 -1.13 114.58 117.58 1p8a h GLU 22 Ca 0.04 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1p8a h GLU 22 Cb 1.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1p8a h GLU 22 CO 0.10 0.61 -0.06 0.78 -1.18 0.00 0.00 179.01 179.26 1p8a h GLY 23 N 0.62 0.15 0.30 1.92 0.00 -1.66 0.14 103.07 104.55 1p8a h GLY 23 Ca 0.16 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1p8a h GLY 23 CO -0.02 0.15 -0.22 1.19 0.00 0.00 0.00 176.54 177.64 1p8a h ILE 24 N -0.31 0.45 0.42 2.60 6.09 -1.09 0.32 117.51 125.99 1p8a h ILE 24 Ca 0.01 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.48 1p8a h ILE 24 Cb 0.58 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1p8a h ILE 24 CO 0.02 0.00 -0.20 0.00 -3.07 0.00 0.00 178.15 174.89 1p8a h ARG 26 N -0.94 0.00 0.09 0.00 2.47 -0.69 0.48 114.38 115.80 1p8a h ARG 26 Ca -0.06 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.42 1p8a h ARG 26 Cb 0.44 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1p8a h ARG 26 CO 0.10 0.00 -1.26 0.22 0.56 0.00 0.00 179.97 179.59 1p8a h ASP 27 N 0.00 0.30 0.14 7.04 3.58 -0.21 0.42 116.42 127.69 1p8a h ASP 27 Ca 0.18 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1p8a h ASP 27 Cb 1.59 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1p8a h ASP 27 CO -0.00 1.55 -0.03 0.23 -2.88 0.00 0.00 179.24 178.11 1p8a n MET 28 N -4.05 1.00 0.00 0.28 2.81 0.45 -4.04 117.12 113.57 1p8a n MET 28 Ca -0.24 -0.25 0.00 0.00 -1.81 0.00 0.00 57.70 55.39 1p8a n MET 28 Cb 0.84 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1p8a n MET 28 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1p8a n VAL 29 N -0.78 0.00 0.00 2.03 0.24 0.14 -5.05 118.33 114.91 1p8a n VAL 29 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1p8a n VAL 29 Cb 0.21 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p8a n GLY 30 N 1.54 2.71 0.00 7.63 0.00 0.15 -4.80 105.19 112.42 1p8a n GLY 30 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1p8a n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1p8a n ASP 31 N 2.86 0.00 0.00 1.61 5.68 -1.26 -4.72 116.55 120.73 1p8a n ASP 31 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1p8a n ASP 31 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1p8a n ASP 31 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1p8a n LYS 32 N 0.00 0.00 0.00 0.11 2.85 -1.26 -5.12 118.16 114.74 1p8a n LYS 32 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1p8a n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1p8a n LEU 33 N 0.00 0.00 0.00 -5.58 4.32 -1.26 -4.78 117.00 109.70 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 -3.92 -0.08 -6.64 0.11 -4.78 119.36 104.05 1p8a n ILE 34 Ca 0.00 0.00 -0.29 0.00 -1.77 0.00 0.00 62.75 60.69 1p8a n ILE 34 Cb 0.00 -0.43 -0.16 0.00 -1.44 0.00 0.00 39.64 37.61 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1p8a s ILE 35 N -0.58 1.30 -0.17 7.28 1.01 -1.26 -1.39 121.20 127.39 1p8a s ILE 35 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1p8a s ILE 35 Cb 0.00 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 41.05 1p8a s ILE 35 CO 0.00 0.06 0.16 -1.81 0.00 0.00 0.00 174.94 173.35 1p8a s ASP 36 N 1.53 1.65 -0.03 3.58 1.01 0.14 -4.79 116.67 119.77 1p8a s ASP 36 Ca -0.01 -0.28 -0.30 0.00 0.71 0.00 0.00 52.55 52.66 1p8a s ASP 36 Cb -0.16 0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.85 1p8a s ASP 36 CO -0.07 -0.32 1.09 -0.94 0.21 0.00 0.00 175.17 175.14 1p8a s SER 37 N 2.25 7.19 0.42 0.27 1.04 -1.26 0.63 113.70 124.23 1p8a s SER 37 Ca 0.04 1.75 0.03 0.00 0.48 0.00 0.00 55.95 58.26 1p8a s SER 37 Cb -0.15 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1p8a s SER 37 CO -0.10 -0.43 0.11 0.00 0.98 0.00 0.00 173.24 173.80 1p8a s ALA 38 N 1.57 3.04 -0.32 5.32 0.00 -0.54 -4.89 121.76 125.92 1p8a s ALA 38 Ca 0.54 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1p8a s ALA 38 Cb -0.23 0.65 0.19 0.00 0.00 0.00 0.00 23.12 23.73 1p8a s ALA 38 CO 0.24 -0.30 0.83 0.00 0.00 0.00 0.00 175.76 176.54 1p8a s ALA 39 N -3.17 -3.31 0.45 0.00 0.00 -1.26 -4.01 121.76 110.46 1p8a s ALA 39 Ca 0.22 1.04 0.32 0.00 0.00 0.00 0.00 51.96 53.55 1p8a s ALA 39 Cb 0.03 -2.76 1.46 0.00 0.00 0.00 0.00 23.12 21.85 1p8a s ALA 39 CO 0.13 -2.11 1.62 1.79 0.00 0.00 0.00 175.76 177.19 1p8a h THR 40 N 4.85 0.11 -3.72 0.00 1.35 -1.95 -0.66 112.91 112.90 1p8a h THR 40 Ca -0.03 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1p8a h THR 40 Cb 1.19 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1p8a h THR 40 CO 0.02 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.10 1p8a n SER 41 N -4.60 1.70 -2.68 5.36 7.64 -1.26 -4.73 113.62 115.04 1p8a n SER 41 Ca 0.38 -0.72 -0.04 0.00 1.01 0.00 0.00 58.87 59.50 1p8a n SER 41 Cb 1.49 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.73 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p8a n GLY 42 N 5.00 -1.52 0.00 0.23 0.00 -1.26 -4.46 105.19 103.19 1p8a n GLY 42 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 2.38 0.00 0.00 1.61 3.72 -1.26 -4.74 117.46 119.17 1p8a n PHE 43 Ca 0.10 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1p8a n PHE 43 Cb 0.65 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1p8a n PHE 43 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1p8a n HIS 44 N -0.00 0.00 -0.87 1.38 8.25 -1.26 -5.05 115.22 117.66 1p8a n HIS 44 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1p8a n HIS 44 Cb 0.10 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.36 1p8a n HIS 44 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1p8a s VAL 45 N -1.00 2.33 0.00 1.59 -7.23 -1.26 -3.46 120.40 111.37 1p8a s VAL 45 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1p8a s VAL 45 Cb 0.00 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1p8a s VAL 45 CO 0.00 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 1p8a n GLY 46 N -0.06 0.38 0.00 2.32 0.00 -1.26 -4.94 105.19 101.63 1p8a n GLY 46 Ca 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -2.61 0.00 -2.00 1.61 10.64 -1.22 -5.14 117.38 118.66 1p8a n GLN 47 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1p8a n GLN 47 Cb 0.10 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 1p8a n GLN 47 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1p8a n SER 48 N 0.00 -7.93 -4.57 2.61 3.41 -1.26 -4.70 113.62 101.18 1p8a n SER 48 Ca 0.00 1.39 -0.26 0.00 -0.26 0.00 0.00 58.87 59.74 1p8a n SER 48 Cb 0.00 -4.33 -0.05 0.00 -0.26 0.00 0.00 64.21 59.56 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1p8a s PRO 49 N -0.96 2.49 -0.14 4.33 0.04 -1.26 -4.78 135.00 134.73 1p8a s PRO 49 Ca 0.00 -0.49 0.01 0.00 0.04 0.00 0.00 61.00 60.56 1p8a s PRO 49 Cb 0.00 -5.10 0.20 0.00 0.04 0.00 0.00 34.50 29.64 1p8a s PRO 49 CO 0.00 -3.59 1.32 -0.25 0.04 0.00 0.00 177.00 174.52 1p8a n ASP 50 N 14.30 3.37 0.16 6.66 9.92 -1.26 -4.09 116.55 145.60 1p8a n ASP 50 Ca 0.42 -2.51 0.02 0.00 -0.53 0.00 0.00 54.79 52.18 1p8a n ASP 50 Cb 0.47 -0.63 0.21 0.00 -0.64 0.00 0.00 41.12 40.53 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1p8a h THR 51 N 0.34 1.12 0.21 -3.53 2.02 -1.98 -1.25 112.91 109.85 1p8a h THR 51 Ca 0.20 -1.95 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 1p8a h THR 51 Cb 1.55 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 1p8a h THR 51 CO 0.35 0.51 -0.10 0.03 0.37 0.00 0.00 175.52 176.68 1p8a h ARG 52 N 0.00 -0.27 0.11 6.66 3.08 -1.99 0.38 114.38 122.35 1p8a h ARG 52 Ca -0.01 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1p8a h ARG 52 Cb 1.09 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1p8a h ARG 52 CO 0.07 0.12 -0.06 0.66 -1.07 0.00 0.00 179.97 179.68 1p8a h SER 53 N -0.86 -0.16 -0.80 7.04 4.64 -1.86 -1.30 113.55 120.25 1p8a h SER 53 Ca -0.03 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1p8a h SER 53 Cb 0.51 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1p8a h SER 53 CO 0.05 -0.10 0.48 -0.61 -0.87 0.00 0.00 176.83 175.78 1p8a h GLN 54 N -0.16 1.09 0.11 4.77 4.15 -1.31 -0.63 115.11 123.12 1p8a h GLN 54 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1p8a h GLN 54 Cb 0.14 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1p8a h GLN 54 CO 0.01 0.77 -0.19 -0.22 -1.93 0.00 0.00 178.83 177.27 1p8a h LYS 55 N 1.10 -0.31 -0.99 1.69 3.64 0.30 -0.60 116.57 121.40 1p8a h LYS 55 Ca 0.29 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.91 1p8a h LYS 55 Cb -0.04 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 1p8a h LYS 55 CO -0.05 -0.21 0.63 0.28 -2.27 0.00 0.00 179.45 177.83 1p8a h VAL 56 N -0.32 0.63 -0.24 2.00 2.07 -1.16 0.85 116.25 120.08 1p8a h VAL 56 Ca -0.01 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1p8a h VAL 56 Cb 0.30 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1p8a h VAL 56 CO -0.07 0.10 -0.21 0.00 0.02 0.00 0.00 177.57 177.40 1p8a h LYS 58 N -0.22 0.00 0.00 0.00 3.64 0.50 0.23 116.57 120.73 1p8a h LYS 58 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1p8a h LYS 58 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1p8a h LYS 58 CO -0.37 0.37 0.00 0.45 -2.27 0.00 0.00 179.45 177.63 1p8a n SER 59 N -3.71 0.25 -0.01 4.20 2.88 0.17 -3.19 113.62 114.22 1p8a n SER 59 Ca -0.01 0.53 0.06 0.00 -1.33 0.00 0.00 58.87 58.12 1p8a n SER 59 Cb 0.46 -0.59 -0.10 0.00 -0.75 0.00 0.00 64.21 63.23 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 -1.74 2.08 0.00 -3.46 5.03 0.18 -5.04 115.26 112.31 1p8a n ASN 60 Ca 0.06 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1p8a n ASN 60 Cb 0.34 1.58 0.00 0.00 -1.02 0.00 0.00 39.78 40.68 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1p8a n GLY 61 N 1.78 0.77 0.00 7.41 0.00 0.01 -5.08 105.19 110.08 1p8a n GLY 61 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1p8a n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1p8a n VAL 62 N 0.49 0.00 0.00 1.61 0.24 -1.16 -4.89 118.33 114.62 1p8a n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1p8a n VAL 62 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1p8a n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1p8a n ASP 63 N 0.00 0.00 0.00 -1.34 -0.08 -1.26 -4.96 116.55 108.91 1p8a n ASP 63 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1p8a n ASP 63 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1p8a n ASP 63 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1p8a n ILE 64 N 0.00 0.00 0.00 5.18 -5.35 -1.26 -3.91 119.36 114.02 1p8a n ILE 64 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1p8a n ILE 64 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1p8a n ILE 64 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1p8a n SER 65 N -1.21 0.00 -2.16 7.28 2.88 -1.26 -4.70 113.62 114.45 1p8a n SER 65 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1p8a n SER 65 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 0.00 0.43 0.00 -1.46 4.76 -1.26 -5.12 118.16 115.50 1p8a n LYS 66 Ca 0.00 -1.41 0.00 0.00 -2.87 0.00 0.00 58.31 54.03 1p8a n LYS 66 Cb 0.00 0.99 0.00 0.00 -1.84 0.00 0.00 35.03 34.18 1p8a n LYS 66 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1p8a n GLN 67 N -0.31 0.00 -3.08 1.97 1.13 -1.26 -4.94 117.38 110.88 1p8a n GLN 67 Ca 0.01 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.94 1p8a n GLN 67 Cb 0.25 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.62 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 -1.33 -2.02 -1.68 -1.09 1.74 -1.26 -4.96 116.66 106.06 1p8a n ARG 68 Ca 0.00 1.77 -0.30 0.00 -0.77 0.00 0.00 57.85 58.55 1p8a n ARG 68 Cb 0.00 -3.51 0.21 0.00 -1.02 0.00 0.00 32.46 28.15 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 -1.68 1.70 0.00 7.54 0.00 -1.26 -5.02 121.76 123.03 1p8a s ALA 69 Ca 0.17 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 51.01 1p8a s ALA 69 Cb -0.03 -2.78 0.15 0.00 0.00 0.00 0.00 23.12 20.46 1p8a s ALA 69 CO 0.62 -2.88 1.06 2.89 0.00 0.00 0.00 175.76 177.44 1p8a n ARG 70 N -4.13 0.00 -1.29 0.00 0.00 -1.26 -4.90 116.66 105.08 1p8a n ARG 70 Ca 0.16 -1.34 0.15 0.00 -0.00 0.00 0.00 57.85 56.82 1p8a n ARG 70 Cb 0.59 0.32 -0.07 0.00 -0.00 0.00 0.00 32.46 33.30 1p8a n ARG 70 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1p8a n GLN 71 N 0.17 -2.71 -0.31 2.89 7.27 -1.26 -4.84 117.38 118.59 1p8a n GLN 71 Ca -0.16 2.19 -0.21 0.00 0.07 0.00 0.00 57.00 58.88 1p8a n GLN 71 Cb 0.85 -3.28 0.20 0.00 2.41 0.00 0.00 30.24 30.42 1p8a n GLN 71 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1p8a n ILE 72 N -4.08 0.00 -3.75 1.69 3.06 -0.25 -4.54 119.36 111.49 1p8a n ILE 72 Ca -0.07 -0.09 -0.13 0.00 -2.50 0.00 0.00 62.75 59.95 1p8a n ILE 72 Cb 0.58 -0.82 -0.09 0.00 0.54 0.00 0.00 39.64 39.85 1p8a n ILE 72 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1p8a s THR 73 N -1.94 0.04 -0.32 9.51 2.01 -1.26 -4.90 115.64 118.78 1p8a s THR 73 Ca 0.48 -0.34 0.17 0.00 0.31 0.00 0.00 61.69 62.31 1p8a s THR 73 Cb -0.07 -0.59 0.17 0.00 0.01 0.00 0.00 72.50 72.02 1p8a s THR 73 CO 0.39 -0.19 1.52 0.29 -0.69 0.00 0.00 174.62 175.95 1p8a n LYS 74 N 1.69 0.11 0.00 4.92 5.02 -1.26 -0.25 118.16 128.39 1p8a n LYS 74 Ca -0.19 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1p8a n LYS 74 Cb 0.56 -1.89 0.26 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.72 3.50 -0.32 7.82 0.00 -1.26 -4.19 120.51 124.35 1p8a n ALA 75 Ca -0.01 -0.35 0.18 0.00 0.00 0.00 0.00 53.44 53.26 1p8a n ALA 75 Cb 0.05 -1.13 0.37 0.00 0.00 0.00 0.00 19.45 18.74 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 0.08 0.16 0.00 0.00 5.19 -1.03 2.29 116.42 123.11 1p8a h ASP 76 Ca 0.00 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1p8a h ASP 76 Cb 0.50 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1p8a h ASP 76 CO 0.00 -0.18 0.03 -0.26 -3.12 0.00 0.00 179.24 175.71 1p8a h PHE 77 N 0.22 0.00 0.00 4.55 0.04 -1.79 -2.95 116.94 117.01 1p8a h PHE 77 Ca 0.63 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.26 1p8a h PHE 77 Cb 1.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.50 1p8a h PHE 77 CO -0.18 0.00 -1.53 0.45 -0.60 0.00 0.00 178.31 176.45 1p8a n SER 78 N -2.65 2.21 -0.27 2.17 2.88 0.70 -4.21 113.62 114.44 1p8a n SER 78 Ca -0.02 0.02 0.34 0.00 -1.33 0.00 0.00 58.87 57.87 1p8a n SER 78 Cb 0.08 -0.20 0.69 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.14 0.00 -4.45 -1.46 1.63 0.83 -3.42 116.57 109.56 1p8a h LYS 79 Ca -0.22 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.22 1p8a h LYS 79 Cb 1.27 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.80 1p8a h LYS 79 CO -0.08 0.00 -0.31 -0.06 -3.45 0.00 0.00 179.45 175.55 1p8a s PHE 80 N -4.74 1.37 -0.17 1.91 0.08 -1.12 -5.02 117.98 110.29 1p8a s PHE 80 Ca -0.04 -1.47 0.05 0.00 0.12 0.00 0.00 56.93 55.60 1p8a s PHE 80 Cb 0.20 -0.34 -0.07 0.00 -0.57 0.00 0.00 43.02 42.24 1p8a s PHE 80 CO 0.69 -1.04 0.19 -0.25 -0.10 0.00 0.00 175.22 174.71 1p8a n ASP 81 N -1.53 1.50 -4.15 1.36 9.92 -1.19 -4.70 116.55 117.76 1p8a n ASP 81 Ca 0.04 -0.40 -0.22 0.00 -0.53 0.00 0.00 54.79 53.68 1p8a n ASP 81 Cb 0.62 1.09 -0.14 0.00 -0.64 0.00 0.00 41.12 42.05 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1p8a s VAL 82 N -1.83 1.22 -0.20 2.53 1.01 -0.06 0.10 120.40 123.17 1p8a s VAL 82 Ca 0.01 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1p8a s VAL 82 Cb 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1p8a s VAL 82 CO 0.23 0.14 -0.14 -0.63 0.00 0.00 0.00 175.10 174.71 1p8a s ILE 83 N -0.67 2.59 -0.40 2.22 1.09 0.13 0.38 121.20 126.55 1p8a s ILE 83 Ca 0.04 -0.76 -0.14 0.00 -1.10 0.00 0.00 60.65 58.68 1p8a s ILE 83 Cb -0.07 -2.14 0.01 0.00 -1.06 0.00 0.00 42.46 39.20 1p8a s ILE 83 CO 0.01 0.49 0.28 0.00 -0.10 0.00 0.00 174.94 175.62 1p8a s ALA 84 N 1.37 3.47 -0.15 9.38 0.00 0.17 -0.15 121.76 135.84 1p8a s ALA 84 Ca 0.05 -1.66 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 1p8a s ALA 84 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1p8a s ALA 84 CO -0.09 -1.37 0.04 0.00 0.00 0.00 0.00 175.76 174.34 1p8a s ALA 85 N 1.68 3.38 0.07 0.00 0.00 -0.56 -0.95 121.76 125.38 1p8a s ALA 85 Ca 0.05 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1p8a s ALA 85 Cb -0.19 -1.78 -0.23 0.00 0.00 0.00 0.00 23.12 20.93 1p8a s ALA 85 CO 0.10 0.32 1.10 1.25 0.00 0.00 0.00 175.76 178.53 1p8a h LEU 86 N 6.17 0.09-10.10 0.00 5.85 -1.50 0.21 115.31 116.03 1p8a h LEU 86 Ca -0.41 -0.11 -0.67 0.00 0.84 0.00 0.00 57.88 57.53 1p8a h LEU 86 Cb 1.18 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 1p8a h LEU 86 CO 0.65 1.09 -0.48 1.51 -0.34 0.00 0.00 178.44 180.86 1p8a s ASP 87 N -6.67 4.21 -0.09 1.25 -4.77 -1.26 -3.98 116.67 105.35 1p8a s ASP 87 Ca -0.02 -1.62 -0.11 0.00 -3.30 0.00 0.00 52.55 47.51 1p8a s ASP 87 Cb 0.09 0.55 -0.28 0.00 -1.09 0.00 0.00 42.92 42.20 1p8a s ASP 87 CO 0.83 -0.91 0.51 1.56 0.70 0.00 0.00 175.17 177.87 1p8a h GLN 88 N 1.25 0.30 -0.80 2.11 4.20 -1.88 -3.37 115.11 116.92 1p8a h GLN 88 Ca -0.43 -0.51 0.18 0.00 0.06 0.00 0.00 58.65 57.95 1p8a h GLN 88 Cb 1.32 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 29.14 1p8a h GLN 88 CO 0.72 1.24 -0.03 0.77 -0.67 0.00 0.00 178.83 180.86 1p8a h SER 89 N -0.05 -0.45 -0.99 1.46 0.02 -1.99 0.63 113.55 112.18 1p8a h SER 89 Ca -0.37 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1p8a h SER 89 Cb 1.96 0.40 -0.09 0.00 0.14 0.00 0.00 62.40 64.81 1p8a h SER 89 CO 0.10 -0.22 0.62 -0.29 -1.14 0.00 0.00 176.83 175.90 1p8a h ILE 90 N 0.07 0.85 -0.26 3.27 2.10 -1.97 0.05 117.51 121.63 1p8a h ILE 90 Ca 0.43 -0.30 -0.14 0.00 1.08 0.00 0.00 64.86 65.93 1p8a h ILE 90 Cb 0.76 -0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 36.38 1p8a h ILE 90 CO -0.73 0.16 -0.38 0.25 -1.08 0.00 0.00 178.15 176.37 1p8a h LEU 91 N 0.88 0.78 -1.58 2.19 5.85 0.03 0.31 115.31 123.78 1p8a h LEU 91 Ca 0.51 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1p8a h LEU 91 Cb 0.64 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1p8a h LEU 91 CO -0.28 1.14 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.55 1p8a h SER 92 N 0.45 0.10 0.00 1.25 0.87 0.06 -2.19 113.55 114.09 1p8a h SER 92 Ca 0.03 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1p8a h SER 92 Cb 0.97 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1p8a h SER 92 CO 0.09 0.25 -0.60 0.44 -0.53 0.00 0.00 176.83 176.48 1p8a h ASP 93 N 0.11 0.00 -1.28 6.23 3.32 -0.90 -3.27 116.42 120.62 1p8a h ASP 93 Ca 0.02 -0.15 0.37 0.00 0.02 0.00 0.00 57.03 57.30 1p8a h ASP 93 Cb 0.30 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.77 1p8a h ASP 93 CO 0.02 0.90 0.88 -0.29 -1.72 0.00 0.00 179.24 179.03 1p8a h ILE 94 N -1.00 0.32 0.00 0.35 2.10 -0.44 2.01 117.51 120.86 1p8a h ILE 94 Ca -0.08 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1p8a h ILE 94 Cb 0.64 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 1p8a h ILE 94 CO -0.05 0.02 0.00 -1.13 -1.08 0.00 0.00 178.15 175.91 1p8a h ASN 95 N 0.12 0.00 0.67 2.19 -0.73 -1.54 -2.73 115.58 113.56 1p8a h ASN 95 Ca 0.68 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.85 1p8a h ASN 95 Cb 2.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.92 1p8a h ASN 95 CO -0.17 0.00 -0.25 -1.20 -0.37 0.00 0.00 177.43 175.45 1p8a n SER 96 N -2.33 0.31 -0.01 1.15 7.64 0.68 -3.84 113.62 117.22 1p8a n SER 96 Ca 0.05 -0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.95 1p8a n SER 96 Cb 0.41 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.41 0.63 -1.37 1.43 0.00 -1.12 -5.03 117.12 110.26 1p8a n MET 97 Ca 0.07 -0.06 -0.37 0.00 0.00 0.00 0.00 57.70 57.34 1p8a n MET 97 Cb 0.33 -1.20 0.05 0.00 0.00 0.00 0.00 33.22 32.40 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 -1.86 0.40 0.02 3.17 5.02 -1.04 -4.91 118.16 118.96 1p8a n LYS 98 Ca -0.03 0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 1p8a n LYS 98 Cb 0.30 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 1p8a n LYS 98 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1p8a h PRO 99 N -0.04 -0.12 0.00 1.97 0.13 -1.93 -3.48 132.00 128.54 1p8a h PRO 99 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1p8a h PRO 99 Cb 1.38 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1p8a h PRO 99 CO 0.44 0.39 0.00 0.43 -0.23 0.00 0.00 178.00 179.04 1p8a n SER 100 N -4.88 0.00 0.00 1.44 7.64 -1.26 -5.06 113.62 111.50 1p8a n SER 100 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1p8a n SER 100 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1p8a n SER 100 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p8a n ASN 101 N 0.00 0.00 0.00 6.43 3.02 -1.26 -5.15 115.26 118.30 1p8a n ASN 101 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1p8a n ASN 101 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1p8a n ASN 101 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p8a n ARG 103 N 0.00 1.58 -3.57 0.00 0.00 -1.26 -5.08 116.66 108.34 1p8a n ARG 103 Ca 0.00 -3.81 -0.13 0.00 -0.00 0.00 0.00 57.85 53.91 1p8a n ARG 103 Cb 0.00 -1.78 -0.05 0.00 -0.00 0.00 0.00 32.46 30.64 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 -2.40 -1.30 -0.02 2.89 0.00 -1.26 -4.48 121.76 115.20 1p8a s ALA 104 Ca 0.41 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1p8a s ALA 104 Cb 0.27 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1p8a s ALA 104 CO -0.09 -0.55 -0.21 0.21 0.00 0.00 0.00 175.76 175.11 1p8a s LYS 105 N -2.78 1.73 -0.03 0.00 2.47 0.28 -4.94 119.74 116.48 1p8a s LYS 105 Ca -0.03 -0.75 -0.14 0.00 -1.56 0.00 0.00 55.97 53.49 1p8a s LYS 105 Cb -0.00 -1.66 -0.05 0.00 -1.46 0.00 0.00 37.83 34.65 1p8a s LYS 105 CO -0.04 0.44 0.37 0.08 0.16 0.00 0.00 175.35 176.36 1p8a s VAL 106 N -0.46 5.11 0.01 4.02 1.01 -1.26 0.18 120.40 129.00 1p8a s VAL 106 Ca 0.07 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.82 1p8a s VAL 106 Cb -0.08 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1p8a s VAL 106 CO -0.01 0.57 -0.05 0.68 0.00 0.00 0.00 175.10 176.29 1p8a s VAL 107 N -0.94 0.39 -0.11 2.92 -7.23 0.79 -4.87 120.40 111.35 1p8a s VAL 107 Ca 0.22 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 1p8a s VAL 107 Cb -0.16 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 1p8a s VAL 107 CO 0.12 -0.03 0.38 -0.22 -0.31 0.00 0.00 175.10 175.04 1p8a s LEU 108 N -0.49 4.31 0.25 1.32 2.96 -1.26 -1.49 118.68 124.28 1p8a s LEU 108 Ca -0.02 0.72 0.22 0.00 -0.22 0.00 0.00 54.13 54.83 1p8a s LEU 108 Cb -0.04 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.19 1p8a s LEU 108 CO -0.00 0.12 1.18 0.15 -1.32 0.00 0.00 176.35 176.48 1p8a h PHE 109 N 6.20 0.00 -1.25 5.38 3.57 -0.84 -3.47 116.94 126.53 1p8a h PHE 109 Ca -0.44 0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.39 1p8a h PHE 109 Cb 1.18 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.76 1p8a h PHE 109 CO 0.64 0.08 0.90 0.54 -2.23 0.00 0.00 178.31 178.24 1p8a s ASN 110 N -5.67 -0.05 1.01 0.41 4.22 -1.26 -5.03 114.94 108.57 1p8a s ASN 110 Ca 0.01 -0.04 -0.15 0.00 -2.14 0.00 0.00 52.86 50.54 1p8a s ASN 110 Cb 0.08 0.08 0.20 0.00 1.28 0.00 0.00 41.25 42.89 1p8a s ASN 110 CO 0.76 -0.14 1.17 -2.16 -2.04 0.00 0.00 177.10 174.69 1p8a s PRO 111 N -2.23 0.28 -0.18 3.55 0.04 -1.26 -4.47 135.00 130.73 1p8a s PRO 111 Ca 0.12 0.02 -0.05 0.00 0.04 0.00 0.00 61.00 61.14 1p8a s PRO 111 Cb 0.02 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.63 1p8a s PRO 111 CO -0.04 -2.72 2.61 -0.35 0.04 0.00 0.00 177.00 176.53 1p8a n PRO 112 N -4.08 1.56 -0.06 0.56 -0.04 -1.26 -3.92 135.00 127.77 1p8a n PRO 112 Ca 0.11 -0.84 -0.10 0.00 -0.04 0.00 0.00 63.50 62.63 1p8a n PRO 112 Cb 0.59 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1p8a n PRO 112 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1p8a n ASN 113 N 2.87 2.12 0.00 3.54 2.85 -1.26 -5.07 115.26 120.31 1p8a n ASN 113 Ca 0.33 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1p8a n ASN 113 Cb 0.56 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p8a n GLY 114 N 2.66 2.51 0.00 8.20 0.00 -1.25 -5.07 105.19 112.24 1p8a n GLY 114 Ca -0.21 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1p8a n GLY 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p8a n VAL 115 N 0.00 0.00 0.00 1.61 3.14 -1.26 -5.04 118.33 116.78 1p8a n VAL 115 Ca 0.00 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1p8a n VAL 115 Cb 0.00 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.79 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1p8a n ASP 116 N -0.83 0.00 -3.10 6.55 -0.08 -1.26 -4.31 116.55 113.53 1p8a n ASP 116 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 1p8a n ASP 116 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1p8a n ASP 116 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1p8a s ASP 117 N 0.70 -0.94 -0.60 1.67 -1.08 -1.26 -4.52 116.67 110.63 1p8a s ASP 117 Ca 0.00 -1.34 -0.05 0.00 -0.52 0.00 0.00 52.55 50.63 1p8a s ASP 117 Cb 0.00 1.60 -0.11 0.00 -1.46 0.00 0.00 42.92 42.95 1p8a s ASP 117 CO 0.00 -0.14 2.43 -0.81 0.52 0.00 0.00 175.17 177.17 1p8a n PRO 118 N 3.82 1.96 0.00 4.34 -0.04 -1.26 -4.92 135.00 138.90 1p8a n PRO 118 Ca 0.14 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1p8a n PRO 118 Cb 0.54 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.44 -0.29 -0.97 0.54 4.01 -1.26 -4.76 117.16 117.87 1p8a n TYR 119 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1p8a n TYR 119 Cb 0.36 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1p8a n TYR 120 N 0.00 0.00 0.00 -0.72 9.36 -1.26 -4.85 117.16 119.69 1p8a n TYR 120 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1p8a n TYR 120 Cb 0.00 -1.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 1p8a n TYR 120 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1p8a n SER 121 N -0.59 0.00 -0.00 2.98 2.88 -1.26 -5.03 113.62 112.59 1p8a n SER 121 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1p8a n SER 121 Cb 0.30 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.00 2.31 -3.53 -3.46 3.41 -1.26 -4.79 113.62 106.31 1p8a n SER 122 Ca 0.00 -0.15 -0.41 0.00 -0.26 0.00 0.00 58.87 58.06 1p8a n SER 122 Cb 0.00 1.35 -0.07 0.00 -0.26 0.00 0.00 64.21 65.23 1p8a n SER 122 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1p8a n ASP 123 N -1.71 2.12 0.00 4.04 5.68 -1.26 -2.47 116.55 122.95 1p8a n ASP 123 Ca -0.01 -2.57 0.00 0.00 -0.50 0.00 0.00 54.79 51.70 1p8a n ASP 123 Cb 0.23 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.31 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p8a n GLY 124 N 4.60 0.02 0.35 6.12 0.00 -1.26 -4.93 105.19 110.08 1p8a n GLY 124 Ca 0.47 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.50 1p8a n GLY 124 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 125 N 0.00 -0.68 0.26 1.61 0.04 -1.78 1.60 116.94 117.99 1p8a h PHE 125 Ca 0.00 0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1p8a h PHE 125 Cb 0.00 0.44 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1p8a h PHE 125 CO 0.00 -0.40 -0.13 -1.00 -0.60 0.00 0.00 178.31 176.18 1p8a h PRO 126 N -0.01 -0.34 -0.83 1.51 0.13 -1.93 -3.18 132.00 127.35 1p8a h PRO 126 Ca 0.40 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.69 1p8a h PRO 126 Cb 0.65 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 31.77 1p8a h PRO 126 CO -0.94 -0.03 0.42 1.15 -0.23 0.00 0.00 178.00 178.37 1p8a h THR 127 N -0.98 0.76 0.00 1.56 2.02 -1.70 -0.73 112.91 113.84 1p8a h THR 127 Ca -0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1p8a h THR 127 Cb 0.47 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1p8a h THR 127 CO 0.06 0.11 0.00 0.80 0.37 0.00 0.00 175.52 176.86 1p8a n MET 128 N -4.86 0.00 -0.17 6.66 0.00 0.54 0.31 117.12 119.59 1p8a n MET 128 Ca 0.16 0.41 -0.06 0.00 0.00 0.00 0.00 57.70 58.20 1p8a n MET 128 Cb 0.40 -1.15 -0.01 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.96 -0.36 1.12 3.04 -1.51 1.00 116.94 119.26 1p8a h PHE 129 Ca 0.00 0.07 0.11 0.00 3.98 0.00 0.00 57.97 62.12 1p8a h PHE 129 Cb 0.00 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1p8a h PHE 129 CO -0.11 -0.39 0.54 0.00 -2.02 0.00 0.00 178.31 176.33 1p8a h ALA 130 N 0.86 2.02 0.00 2.41 0.00 -0.91 0.38 119.26 124.02 1p8a h ALA 130 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1p8a h ALA 130 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1p8a h ALA 130 CO -0.63 -0.72 -0.80 0.45 0.00 0.00 0.00 179.25 177.54 1p8a n SER 131 N -3.39 1.84 0.30 0.00 2.88 0.31 -0.86 113.62 114.70 1p8a n SER 131 Ca 0.07 0.55 0.15 0.00 -1.33 0.00 0.00 58.87 58.31 1p8a n SER 131 Cb 0.69 -0.88 0.82 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.04 0.62 117.51 121.73 1p8a h ILE 132 Ca -0.11 0.00 -0.44 0.00 1.08 0.00 0.00 64.86 65.39 1p8a h ILE 132 Cb 0.78 0.66 -0.07 0.00 -1.09 0.00 0.00 36.82 37.11 1p8a h ILE 132 CO -0.07 0.00 -2.42 -0.24 -1.08 0.00 0.00 178.15 174.35 1p8a n SER 133 N -2.77 1.95 0.25 2.19 2.88 0.13 -3.07 113.62 115.17 1p8a n SER 133 Ca -0.02 0.35 0.16 0.00 -1.33 0.00 0.00 58.87 58.03 1p8a n SER 133 Cb 0.30 -0.83 0.86 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.13 -1.46 3.64 -0.41 0.35 116.57 117.56 1p8a h LYS 134 Ca -0.67 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1p8a h LYS 134 Cb 1.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1p8a h LYS 134 CO -0.40 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 174.87 1p8a n GLU 135 N -2.63 2.92 -0.02 1.90 2.13 0.16 -4.58 120.64 120.53 1p8a n GLU 135 Ca -0.02 -1.73 0.03 0.00 0.66 0.00 0.00 57.16 56.10 1p8a n GLU 135 Cb 0.08 -1.11 0.16 0.00 0.27 0.00 0.00 31.44 30.83 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 -0.16 1.11 -0.09 5.31 1.56 0.11 -3.80 117.12 121.16 1p8a n MET 136 Ca 0.05 -0.17 -0.17 0.00 -0.27 0.00 0.00 57.70 57.14 1p8a n MET 136 Cb 0.33 -1.11 -0.09 0.00 2.15 0.00 0.00 33.22 34.49 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 0.29 0.00 0.00 2.12 1.57 -1.81 -3.34 116.57 115.39 1p8a h LYS 137 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1p8a h LYS 137 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1p8a h LYS 137 CO 0.00 0.77 0.00 -0.35 -0.57 0.00 0.00 179.45 179.30 1p8a n PRO 138 N -4.50 0.83 -0.08 3.15 -0.04 -1.25 -2.15 135.00 130.97 1p8a n PRO 138 Ca -0.24 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.15 1p8a n PRO 138 Cb 0.56 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.66 0.33 0.69 0.54 7.35 -1.25 -4.37 117.46 120.09 1p8a n PHE 139 Ca 0.06 0.14 0.13 0.00 -0.76 0.00 0.00 57.45 57.02 1p8a n PHE 139 Cb 0.03 -0.56 0.32 0.00 0.35 0.00 0.00 39.48 39.62 1p8a n PHE 139 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 1p8a n LEU 140 N -4.34 0.63 0.09 -2.13 -0.00 -1.25 -2.32 117.00 107.67 1p8a n LEU 140 Ca -0.10 0.36 -0.03 0.00 -0.00 0.00 0.00 56.01 56.24 1p8a n LEU 140 Cb 0.39 -0.28 0.21 0.00 -0.00 0.00 0.00 43.42 43.74 1p8a n LEU 140 CO 0.16 -0.07 0.62 0.74 -0.00 0.00 0.00 177.39 178.84 1p8a h THR 141 N 0.00 1.32 0.00 1.47 2.02 -1.67 -3.12 112.91 112.93 1p8a h THR 141 Ca 0.00 -1.57 -0.34 0.00 0.77 0.00 0.00 66.41 65.27 1p8a h THR 141 Cb 0.68 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 1p8a h THR 141 CO 0.00 0.47 -2.29 -0.62 0.37 0.00 0.00 175.52 173.45 1p8a n GLU 142 N -4.01 0.63 -0.49 6.66 -0.58 -1.24 -3.48 120.64 118.13 1p8a n GLU 142 Ca -0.02 0.11 0.40 0.00 -0.42 0.00 0.00 57.16 57.24 1p8a n GLU 142 Cb 0.49 -1.46 0.72 0.00 -0.57 0.00 0.00 31.44 30.63 1p8a n GLU 142 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1p8a h HIS 143 N 0.00 0.25 0.00 -0.32 3.86 -1.56 -3.42 115.15 113.95 1p8a h HIS 143 Ca -0.51 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1p8a h HIS 143 Cb 1.83 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 30.23 1p8a h HIS 143 CO 0.02 -0.07 0.00 0.41 0.86 0.00 0.00 177.93 179.16 1p8a n GLY 144 N -1.70 0.06 1.85 2.45 0.00 -1.23 -5.09 105.19 101.52 1p8a n GLY 144 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.87 0.00 0.99 4.77 -1.18 -4.95 117.00 113.77 1p8a n LEU 145 Ca 0.00 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1p8a n LEU 145 Cb 0.00 2.80 0.00 0.00 -2.33 0.00 0.00 43.42 43.89 1p8a n LEU 145 CO 0.00 0.12 0.01 2.30 -1.33 0.00 0.00 177.39 178.49