#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 -3.44 -2.20 0.00 0.00 -1.26 -4.59 120.51 109.02 1p8a n ALA 2 Ca 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1p8a n ALA 2 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1p8a s GLU 3 N -2.86 2.95 0.82 0.00 0.41 -1.26 -4.91 118.70 113.85 1p8a s GLU 3 Ca 0.00 -1.14 -0.12 0.00 -0.41 0.00 0.00 54.97 53.30 1p8a s GLU 3 Cb 0.00 -2.78 0.10 0.00 -1.78 0.00 0.00 34.13 29.66 1p8a s GLU 3 CO 0.00 -0.13 1.19 -1.59 -0.49 0.00 0.00 175.26 174.23 1p8a s LYS 4 N -4.28 1.78 0.17 1.61 0.00 -1.26 -4.61 119.74 113.16 1p8a s LYS 4 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 55.97 56.35 1p8a s LYS 4 Cb -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 37.83 35.79 1p8a s LYS 4 CO 0.32 -1.69 0.40 0.15 0.00 0.00 0.00 175.35 174.53 1p8a s LYS 5 N -5.60 1.23 -0.48 1.78 1.02 -1.26 -4.76 119.74 111.67 1p8a s LYS 5 Ca 0.64 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 1p8a s LYS 5 Cb -0.10 0.45 0.12 0.00 -0.52 0.00 0.00 37.83 37.78 1p8a s LYS 5 CO 0.49 -0.49 0.37 0.00 -0.92 0.00 0.00 175.35 174.81 1p8a s ALA 6 N -3.90 3.43 -0.40 5.17 0.00 -1.26 -1.04 121.76 123.76 1p8a s ALA 6 Ca 0.11 -2.55 -0.11 0.00 0.00 0.00 0.00 51.96 49.41 1p8a s ALA 6 Cb 0.01 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.29 1p8a s ALA 6 CO -0.03 -1.92 0.25 0.08 0.00 0.00 0.00 175.76 174.13 1p8a s VAL 7 N 1.38 4.64 -0.42 0.00 1.01 0.43 -0.41 120.40 127.02 1p8a s VAL 7 Ca 0.05 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 1p8a s VAL 7 Cb -0.27 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1p8a s VAL 7 CO -0.00 -0.35 0.60 -0.22 0.00 0.00 0.00 175.10 175.13 1p8a s LEU 8 N 1.55 4.51 -0.09 3.92 2.96 0.99 -1.04 118.68 131.48 1p8a s LEU 8 Ca 0.03 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 1p8a s LEU 8 Cb -0.21 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1p8a s LEU 8 CO 0.06 -0.70 0.74 -0.36 -1.32 0.00 0.00 176.35 174.76 1p8a s PHE 9 N 2.67 3.54 0.25 5.38 0.40 0.15 0.25 117.98 130.63 1p8a s PHE 9 Ca 0.21 1.26 -0.02 0.00 -0.60 0.00 0.00 56.93 57.78 1p8a s PHE 9 Cb -0.15 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1p8a s PHE 9 CO 0.17 0.01 0.27 0.54 0.70 0.00 0.00 175.22 176.91 1p8a s VAL 10 N 1.11 0.00 0.03 -0.44 0.11 0.12 -1.01 120.40 120.33 1p8a s VAL 10 Ca 0.38 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1p8a s VAL 10 Cb -0.18 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1p8a s VAL 10 CO 0.17 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.94 1p8a n LEU 12 N -2.57 0.00 0.00 0.00 -0.00 -1.26 -4.57 117.00 108.60 1p8a n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1p8a n GLY 13 N 0.00 1.70 3.40 -3.96 0.00 -1.03 -4.81 105.19 100.48 1p8a n GLY 13 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 1.61 5.15 -1.24 -4.37 115.26 116.40 1p8a n ASN 14 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1p8a n ASN 14 Cb 0.00 -0.98 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 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 -2.00 0.00 -0.94 -1.44 5.41 -1.26 -4.56 119.36 114.57 1p8a n ILE 15 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1p8a n ILE 15 Cb 0.00 -0.61 -0.04 0.00 -0.71 0.00 0.00 39.64 38.28 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 1.21 3.02 -3.98 0.00 5.12 -1.26 -4.63 116.66 116.14 1p8a n ARG 17 Ca 0.29 -4.67 -0.38 0.00 -1.93 0.00 0.00 57.85 51.16 1p8a n ARG 17 Cb 0.62 -2.31 0.01 0.00 -1.16 0.00 0.00 32.46 29.62 1p8a n ARG 17 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1p8a n SER 18 N 0.84 -3.29 0.09 0.55 7.64 -1.26 -4.76 113.62 113.43 1p8a n SER 18 Ca 0.30 -1.18 0.11 0.00 1.01 0.00 0.00 58.87 59.10 1p8a n SER 18 Cb 0.39 -2.34 0.44 0.00 -1.01 0.00 0.00 64.21 61.69 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 -4.66 0.14 -0.03 1.43 -0.04 -1.26 -2.29 135.00 128.29 1p8a n PRO 19 Ca -0.16 0.34 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1p8a n PRO 19 Cb 0.61 -1.75 0.31 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.69 2.55 -0.22 0.55 0.00 -1.26 -3.79 120.51 116.64 1p8a n ALA 20 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 1p8a n ALA 20 Cb 0.23 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.66 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 1.00 0.54 0.26 0.00 4.81 -1.29 -1.15 114.58 118.75 1p8a h GLU 22 Ca 0.22 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1p8a h GLU 22 Cb 0.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1p8a h GLU 22 CO -0.01 0.70 -0.13 0.78 -0.73 0.00 0.00 179.01 179.63 1p8a h GLY 23 N 0.33 -0.37 0.09 1.92 0.00 -1.47 0.89 103.07 104.46 1p8a h GLY 23 Ca 0.08 0.14 0.15 0.00 0.00 0.00 0.00 47.33 47.70 1p8a h GLY 23 CO 0.02 -0.13 0.29 1.19 0.00 0.00 0.00 176.54 177.90 1p8a h ILE 24 N -0.80 0.62 -0.06 2.60 6.09 -0.51 0.16 117.51 125.61 1p8a h ILE 24 Ca -0.04 -0.14 -0.13 0.00 -1.37 0.00 0.00 64.86 63.18 1p8a h ILE 24 Cb 0.51 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 37.96 1p8a h ILE 24 CO 0.06 0.08 -0.56 0.00 -3.07 0.00 0.00 178.15 174.65 1p8a h ARG 26 N 0.14 -0.62 -0.08 0.00 2.47 0.18 1.06 114.38 117.54 1p8a h ARG 26 Ca -0.00 0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.59 1p8a h ARG 26 Cb 1.04 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1p8a h ARG 26 CO 0.08 -0.36 -0.68 0.22 0.56 0.00 0.00 179.97 179.79 1p8a h ASP 27 N -0.78 0.40 0.33 7.04 3.58 -1.28 0.24 116.42 125.95 1p8a h ASP 27 Ca -0.07 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 1p8a h ASP 27 Cb 0.55 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1p8a h ASP 27 CO 0.11 0.96 -0.16 -0.03 -2.88 0.00 0.00 179.24 177.24 1p8a h MET 28 N 0.24 -0.43 -0.73 0.28 4.05 -0.93 -3.41 114.93 114.00 1p8a h MET 28 Ca -0.02 0.03 -0.31 0.00 -0.28 0.00 0.00 59.70 59.12 1p8a h MET 28 Cb 1.24 0.10 -0.38 0.00 -0.80 0.00 0.00 31.60 31.75 1p8a h MET 28 CO 0.11 -0.24 -1.11 1.33 0.23 0.00 0.00 176.91 177.24 1p8a n VAL 29 N -5.07 1.01 -1.37 -5.77 0.24 0.17 -5.02 118.33 102.52 1p8a n VAL 29 Ca -0.06 -2.87 -0.19 0.00 -2.04 0.00 0.00 64.34 59.17 1p8a n VAL 29 Cb 0.20 0.92 -0.12 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.32 -0.29 0.00 7.63 0.00 0.31 -1.38 105.19 111.15 1p8a n GLY 30 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 17.79 0.00 -3.64 1.61 9.92 -1.26 -4.98 116.55 135.98 1p8a n ASP 31 Ca 0.41 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.43 1p8a n ASP 31 Cb 0.46 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.77 1p8a n ASP 31 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1p8a s LYS 32 N 0.00 0.09 -0.11 -1.24 1.02 -0.48 -4.85 119.74 114.17 1p8a s LYS 32 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 1p8a s LYS 32 Cb 0.00 -1.48 -0.00 0.00 -0.52 0.00 0.00 37.83 35.82 1p8a s LYS 32 CO 0.00 -0.57 0.10 -0.11 -0.92 0.00 0.00 175.35 173.85 1p8a n LEU 33 N 5.26 -2.52 -4.75 3.17 0.00 -1.14 -4.78 117.00 112.24 1p8a n LEU 33 Ca -0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 56.01 55.51 1p8a n LEU 33 Cb 0.49 -1.06 0.03 0.00 0.00 0.00 0.00 43.42 42.89 1p8a n LEU 33 CO 0.09 -0.06 1.00 2.30 0.00 0.00 0.00 177.39 180.72 1p8a n ILE 34 N -1.40 3.48 -3.93 1.96 -6.64 -0.20 -4.69 119.36 107.94 1p8a n ILE 34 Ca -0.00 -0.50 -0.31 0.00 -1.77 0.00 0.00 62.75 60.17 1p8a n ILE 34 Cb 0.51 -1.71 -0.14 0.00 -1.44 0.00 0.00 39.64 36.87 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 -1.26 2.70 0.86 7.28 1.01 -1.23 -0.43 121.20 130.13 1p8a s ILE 35 Ca 0.68 -3.31 -0.09 0.00 0.00 0.00 0.00 60.65 57.92 1p8a s ILE 35 Cb -0.43 -2.86 0.17 0.00 0.01 0.00 0.00 42.46 39.35 1p8a s ILE 35 CO 0.52 -0.81 1.19 -1.81 0.00 0.00 0.00 174.94 174.03 1p8a s ASP 36 N -0.23 3.60 -0.09 3.58 1.01 -0.20 -1.30 116.67 123.04 1p8a s ASP 36 Ca 0.17 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.40 1p8a s ASP 36 Cb -0.25 -0.14 0.02 0.00 1.01 0.00 0.00 42.92 43.56 1p8a s ASP 36 CO -0.01 -2.39 -0.07 -0.94 0.21 0.00 0.00 175.17 171.97 1p8a s SER 37 N -4.84 1.89 0.00 0.27 1.04 -1.24 0.35 113.70 111.17 1p8a s SER 37 Ca 0.71 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1p8a s SER 37 Cb -0.04 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.33 1p8a s SER 37 CO 0.49 -0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.63 1p8a n ALA 38 N 4.62 0.00 -3.62 5.32 0.00 -0.18 -4.94 120.51 121.71 1p8a n ALA 38 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1p8a n ALA 38 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.00 -2.02 -0.14 0.00 0.00 -1.26 -3.72 121.76 112.62 1p8a s ALA 39 Ca 0.00 1.75 -0.27 0.00 0.00 0.00 0.00 51.96 53.44 1p8a s ALA 39 Cb 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 23.12 21.58 1p8a s ALA 39 CO 0.00 -0.23 0.72 1.79 0.00 0.00 0.00 175.76 178.03 1p8a h THR 40 N 2.98 1.64 -4.21 0.00 1.35 -1.88 -2.86 112.91 109.94 1p8a h THR 40 Ca -0.22 -2.35 -0.50 0.00 -0.55 0.00 0.00 66.41 62.78 1p8a h THR 40 Cb 1.18 3.22 -0.28 0.00 -1.73 0.00 0.00 68.15 70.54 1p8a h THR 40 CO 0.20 0.59 -0.82 -0.55 -0.25 0.00 0.00 175.52 174.69 1p8a s SER 41 N -6.41 1.82 -0.31 5.36 0.15 -1.26 -4.27 113.70 108.78 1p8a s SER 41 Ca -0.19 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.10 1p8a s SER 41 Cb -0.01 -0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.22 1p8a s SER 41 CO 0.70 0.16 0.15 -0.83 1.20 0.00 0.00 173.24 174.62 1p8a s GLY 42 N -0.55 0.65 -0.28 9.45 0.00 -1.26 -2.47 107.32 112.86 1p8a s GLY 42 Ca 0.05 -1.35 0.12 0.00 0.00 0.00 0.00 44.72 43.54 1p8a s GLY 42 CO -0.00 2.02 1.66 0.69 0.00 0.00 0.00 173.10 177.47 1p8a n PHE 43 N 4.91 1.84 -1.83 1.90 3.01 -1.26 -4.37 117.46 121.66 1p8a n PHE 43 Ca -0.01 -1.14 0.05 0.00 1.01 0.00 0.00 57.45 57.36 1p8a n PHE 43 Cb 0.41 -0.55 0.11 0.00 -0.01 0.00 0.00 39.48 39.44 1p8a n PHE 43 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1p8a n HIS 44 N -0.33 0.00 -1.94 1.38 8.25 -1.26 -5.06 115.22 116.27 1p8a n HIS 44 Ca 0.34 -0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 56.48 1p8a n HIS 44 Cb 1.20 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 32.11 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 -1.74 3.04 0.00 1.59 -7.23 -1.26 -4.04 120.40 110.76 1p8a s VAL 45 Ca 0.30 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 1p8a s VAL 45 Cb 0.31 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1p8a s VAL 45 CO -0.07 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1p8a n GLY 46 N 3.97 1.07 0.00 2.32 0.00 -1.26 -5.06 105.19 106.23 1p8a n GLY 46 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 -2.93 1.61 10.64 -1.26 -5.08 117.38 120.36 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 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 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 -7.47 -3.44 2.61 2.88 -1.26 -4.77 113.62 102.16 1p8a n SER 48 Ca 0.00 0.03 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 1p8a n SER 48 Cb 0.00 -5.06 -0.05 0.00 -0.75 0.00 0.00 64.21 58.35 1p8a n SER 48 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1p8a n PRO 49 N -1.48 1.50 -0.90 -1.46 -0.04 -1.26 -4.65 135.00 126.71 1p8a n PRO 49 Ca 0.02 -1.60 -0.19 0.00 -0.04 0.00 0.00 63.50 61.69 1p8a n PRO 49 Cb 0.49 -2.70 0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1p8a n PRO 49 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1p8a n ASP 50 N 6.44 5.41 0.09 3.54 8.00 -1.26 -4.31 116.55 134.46 1p8a n ASP 50 Ca 0.45 -3.14 -0.07 0.00 0.71 0.00 0.00 54.79 52.74 1p8a n ASP 50 Cb 0.30 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1p8a h THR 51 N 0.84 1.53 -0.02 -3.53 1.35 -1.98 -1.20 112.91 109.90 1p8a h THR 51 Ca 0.38 -2.70 -0.03 0.00 -0.55 0.00 0.00 66.41 63.51 1p8a h THR 51 Cb 1.41 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1p8a h THR 51 CO 0.85 0.78 -0.10 0.03 -0.25 0.00 0.00 175.52 176.83 1p8a h ARG 52 N 0.06 0.10 -0.16 4.72 -0.00 -1.99 0.11 114.38 117.23 1p8a h ARG 52 Ca -0.03 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 1p8a h ARG 52 Cb 1.49 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.47 1p8a h ARG 52 CO 0.12 0.77 0.08 1.03 0.00 0.00 0.00 179.97 181.97 1p8a h SER 53 N -0.55 0.20 -0.37 7.04 0.87 -1.86 -1.23 113.55 117.66 1p8a h SER 53 Ca -0.01 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 1p8a h SER 53 Cb 0.79 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1p8a h SER 53 CO 0.02 0.26 0.02 -0.61 -0.53 0.00 0.00 176.83 175.99 1p8a h GLN 54 N 0.13 0.73 0.47 2.24 4.15 -1.29 -0.03 115.11 121.51 1p8a h GLN 54 Ca 0.05 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1p8a h GLN 54 Cb 0.11 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1p8a h GLN 54 CO -0.01 0.73 -0.26 -0.22 -1.93 0.00 0.00 178.83 177.14 1p8a h LYS 55 N 0.69 -0.65 -0.79 1.69 3.64 -0.29 -1.23 116.57 119.63 1p8a h LYS 55 Ca 0.14 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1p8a h LYS 55 Cb 0.39 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1p8a h LYS 55 CO 0.01 -0.43 0.52 -0.24 -2.27 0.00 0.00 179.45 177.04 1p8a h VAL 56 N -0.68 0.85 -0.04 2.00 3.04 -1.21 -0.10 116.25 120.11 1p8a h VAL 56 Ca -0.06 -0.19 0.04 0.00 -1.01 0.00 0.00 66.70 65.47 1p8a h VAL 56 Cb 0.53 0.24 -0.05 0.00 -2.01 0.00 0.00 31.29 30.00 1p8a h VAL 56 CO 0.08 0.10 -0.26 0.00 -1.01 0.00 0.00 177.57 176.48 1p8a h LYS 58 N -0.38 0.00 0.00 0.00 1.57 -0.17 0.60 116.57 118.19 1p8a h LYS 58 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1p8a h LYS 58 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1p8a h LYS 58 CO -0.26 0.33 0.00 0.45 -0.57 0.00 0.00 179.45 179.41 1p8a n SER 59 N -3.77 0.67 -0.05 0.86 2.88 -0.15 -3.66 113.62 110.41 1p8a n SER 59 Ca -0.01 0.58 -0.05 0.00 -1.33 0.00 0.00 58.87 58.06 1p8a n SER 59 Cb 0.42 -0.76 -0.07 0.00 -0.75 0.00 0.00 64.21 63.06 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 -2.15 2.81 0.00 -3.46 4.13 0.17 -5.04 115.26 111.71 1p8a n ASN 60 Ca 0.05 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1p8a n ASN 60 Cb 0.37 0.51 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 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 2.55 1.00 3.02 7.41 0.00 0.20 -5.08 105.19 114.30 1p8a n GLY 61 Ca -0.16 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1p8a n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p8a s VAL 62 N 0.00 -0.87 -0.77 1.61 -7.23 -0.96 -4.73 120.40 107.46 1p8a s VAL 62 Ca 0.00 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.68 1p8a s VAL 62 Cb 0.00 0.00 -0.17 0.00 0.56 0.00 0.00 36.38 36.77 1p8a s VAL 62 CO 0.00 0.00 2.42 -0.67 -0.31 0.00 0.00 175.10 176.54 1p8a n ASP 63 N 3.88 1.10 0.00 4.85 2.03 -1.26 -4.55 116.55 122.61 1p8a n ASP 63 Ca 0.12 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1p8a n ASP 63 Cb 0.58 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1p8a n ASP 63 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1p8a n ILE 64 N 7.73 0.00 -3.80 5.18 -5.35 -1.26 -3.24 119.36 118.62 1p8a n ILE 64 Ca 0.51 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.97 1p8a n ILE 64 Cb 0.34 -0.65 -0.01 0.00 -1.74 0.00 0.00 39.64 37.59 1p8a n ILE 64 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1p8a n SER 65 N 0.00 -0.10 -0.02 7.28 7.64 -1.26 -4.97 113.62 122.18 1p8a n SER 65 Ca 0.00 -1.20 0.09 0.00 1.01 0.00 0.00 58.87 58.78 1p8a n SER 65 Cb 0.00 0.21 0.55 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.06 1.03 0.00 1.43 4.76 -1.26 -4.90 118.16 119.16 1p8a n LYS 66 Ca 0.00 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1p8a n LYS 66 Cb 0.06 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 -0.74 0.00 -2.14 1.97 1.13 -1.26 -4.79 117.38 111.55 1p8a n GLN 67 Ca 0.14 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1p8a n GLN 67 Cb 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.41 1p8a n GLN 67 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1p8a n ARG 68 N 0.00 -3.49 -1.69 -1.09 0.00 -1.26 -4.77 116.66 104.36 1p8a n ARG 68 Ca 0.00 2.72 -0.43 0.00 -0.00 0.00 0.00 57.85 60.15 1p8a n ARG 68 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 32.46 28.69 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 69 N -0.45 3.01 0.01 5.13 0.00 -1.26 -4.93 121.76 123.27 1p8a s ALA 69 Ca -0.12 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.73 1p8a s ALA 69 Cb 0.01 -3.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 1p8a s ALA 69 CO 0.32 -2.39 -0.06 0.50 0.00 0.00 0.00 175.76 174.13 1p8a s ARG 70 N 5.67 0.46 0.28 0.00 3.00 -1.26 -4.79 118.95 122.31 1p8a s ARG 70 Ca 0.94 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.73 54.99 1p8a s ARG 70 Cb -0.34 -0.37 -0.10 0.00 0.00 0.00 0.00 34.95 34.14 1p8a s ARG 70 CO 0.36 0.09 1.16 -1.14 0.00 0.00 0.00 175.30 175.77 1p8a s GLN 71 N -0.63 4.56 -0.08 5.12 0.74 -1.26 -4.45 119.66 123.67 1p8a s GLN 71 Ca -0.02 1.90 -0.13 0.00 0.05 0.00 0.00 55.36 57.16 1p8a s GLN 71 Cb -0.05 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 1p8a s GLN 71 CO 0.00 0.09 0.32 -1.50 -0.55 0.00 0.00 175.29 173.66 1p8a s ILE 72 N -1.04 5.22 1.07 -2.34 2.07 -1.08 -5.01 121.20 120.09 1p8a s ILE 72 Ca 0.46 0.63 -0.18 0.00 -1.41 0.00 0.00 60.65 60.15 1p8a s ILE 72 Cb -0.34 -3.63 0.24 0.00 0.13 0.00 0.00 42.46 38.86 1p8a s ILE 72 CO 0.43 0.51 1.26 -0.89 -1.91 0.00 0.00 174.94 174.34 1p8a s THR 73 N -0.48 1.84 -2.13 4.00 2.01 -1.26 -4.93 115.64 114.69 1p8a s THR 73 Ca 0.20 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.40 1p8a s THR 73 Cb -0.14 -2.82 0.51 0.00 0.01 0.00 0.00 72.50 70.05 1p8a s THR 73 CO 0.08 0.00 1.65 2.29 -0.69 0.00 0.00 174.62 177.96 1p8a n LYS 74 N -4.17 1.33 0.04 4.92 2.85 -1.26 -3.48 118.16 118.39 1p8a n LYS 74 Ca 0.15 -0.50 0.13 0.00 -1.05 0.00 0.00 58.31 57.04 1p8a n LYS 74 Cb 0.59 -1.34 0.39 0.00 -0.65 0.00 0.00 35.03 34.02 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p8a n ALA 75 N -0.29 2.70 0.08 0.58 0.00 -1.26 -3.79 120.51 118.54 1p8a n ALA 75 Ca 0.15 -0.16 0.20 0.00 0.00 0.00 0.00 53.44 53.63 1p8a n ALA 75 Cb 0.19 -1.33 0.67 0.00 0.00 0.00 0.00 19.45 18.97 1p8a n ALA 75 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1p8a h ASP 76 N 0.00 0.00 0.80 0.00 2.03 -1.95 1.22 116.42 118.52 1p8a h ASP 76 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1p8a h ASP 76 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1p8a h ASP 76 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.70 1p8a n PHE 77 N -3.43 0.02 -0.09 4.15 3.72 -1.25 -2.97 117.46 117.61 1p8a n PHE 77 Ca 0.08 0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.33 1p8a n PHE 77 Cb 0.77 -0.51 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1p8a n PHE 77 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1p8a n SER 78 N -1.52 1.92 0.05 4.37 7.64 0.41 -4.06 113.62 122.43 1p8a n SER 78 Ca 0.06 0.08 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1p8a n SER 78 Cb 0.27 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1p8a n SER 78 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1p8a h LYS 79 N -0.37 -0.14 -6.52 1.43 1.63 -1.51 -3.42 116.57 107.67 1p8a h LYS 79 Ca -0.44 0.01 -0.69 0.00 -0.85 0.00 0.00 60.65 58.69 1p8a h LYS 79 Cb 1.50 0.03 -0.22 0.00 -0.60 0.00 0.00 32.23 32.94 1p8a h LYS 79 CO -0.19 -0.09 -0.79 -0.06 -3.45 0.00 0.00 179.45 174.87 1p8a s PHE 80 N -6.17 2.60 -0.15 1.91 0.08 -1.16 -4.99 117.98 110.11 1p8a s PHE 80 Ca -0.14 -0.23 0.19 0.00 0.12 0.00 0.00 56.93 56.87 1p8a s PHE 80 Cb 0.08 -1.50 -0.12 0.00 -0.57 0.00 0.00 43.02 40.91 1p8a s PHE 80 CO 0.66 0.24 0.82 -0.25 -0.10 0.00 0.00 175.22 176.60 1p8a n ASP 81 N 1.68 0.75 -4.48 1.36 8.00 -1.22 -4.52 116.55 118.12 1p8a n ASP 81 Ca -0.16 0.32 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 1p8a n ASP 81 Cb 0.52 0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p8a s VAL 82 N -3.06 3.14 -0.11 2.53 1.01 0.45 0.17 120.40 124.51 1p8a s VAL 82 Ca -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1p8a s VAL 82 Cb 0.09 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1p8a s VAL 82 CO 0.81 0.58 0.05 -0.63 0.00 0.00 0.00 175.10 175.91 1p8a s ILE 83 N -0.60 0.17 0.06 2.22 1.01 -0.23 -0.01 121.20 123.83 1p8a s ILE 83 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 1p8a s ILE 83 Cb -0.11 -0.55 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 1p8a s ILE 83 CO 0.01 0.01 0.49 0.00 0.00 0.00 0.00 174.94 175.44 1p8a s ALA 84 N 2.04 3.64 -0.01 9.38 0.00 0.14 0.26 121.76 137.20 1p8a s ALA 84 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1p8a s ALA 84 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1p8a s ALA 84 CO -0.06 0.46 -0.21 0.00 0.00 0.00 0.00 175.76 175.95 1p8a s ALA 85 N -1.21 2.42 -0.06 0.00 0.00 0.17 0.16 121.76 123.24 1p8a s ALA 85 Ca 0.29 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.92 1p8a s ALA 85 Cb -0.17 -0.72 -0.18 0.00 0.00 0.00 0.00 23.12 22.04 1p8a s ALA 85 CO 0.17 0.55 0.95 -0.07 0.00 0.00 0.00 175.76 177.35 1p8a h LEU 86 N 5.21 -0.10 0.00 0.00 4.07 -0.85 0.20 115.31 123.84 1p8a h LEU 86 Ca -0.45 -0.49 -0.51 0.00 0.08 0.00 0.00 57.88 56.50 1p8a h LEU 86 Cb 1.14 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 1p8a h LEU 86 CO 0.48 0.51 -0.22 0.47 -1.08 0.00 0.00 178.44 178.60 1p8a n ASP 87 N -4.85 2.49 -0.00 -0.43 8.00 -1.26 -4.59 116.55 115.91 1p8a n ASP 87 Ca -0.08 -2.68 -0.05 0.00 0.71 0.00 0.00 54.79 52.69 1p8a n ASP 87 Cb 0.29 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 1p8a n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p8a n GLN 88 N -1.77 0.63 0.27 -1.24 6.02 -1.26 -4.06 117.38 115.96 1p8a n GLN 88 Ca 0.01 0.28 -0.18 0.00 -0.01 0.00 0.00 57.00 57.10 1p8a n GLN 88 Cb 0.57 -1.80 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 1p8a n GLN 88 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1p8a h SER 89 N 0.00 -1.41 -0.99 1.08 0.02 -1.96 0.42 113.55 110.70 1p8a h SER 89 Ca -0.24 0.12 0.20 0.00 -0.84 0.00 0.00 61.79 61.03 1p8a h SER 89 Cb 1.85 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 64.77 1p8a h SER 89 CO 0.07 -0.65 0.61 -0.29 -1.14 0.00 0.00 176.83 175.43 1p8a h ILE 90 N -0.97 0.70 0.00 3.27 2.10 -1.81 0.30 117.51 121.10 1p8a h ILE 90 Ca -0.05 -0.23 -0.11 0.00 1.08 0.00 0.00 64.86 65.55 1p8a h ILE 90 Cb 0.86 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 1p8a h ILE 90 CO -0.09 0.12 -0.53 0.25 -1.08 0.00 0.00 178.15 176.82 1p8a h LEU 91 N 0.67 0.00 -0.14 2.19 5.85 -1.47 0.16 115.31 122.57 1p8a h LEU 91 Ca 0.55 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 59.09 1p8a h LEU 91 Cb 0.99 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1p8a h LEU 91 CO -0.32 0.53 -0.87 -1.28 -0.34 0.00 0.00 178.44 176.15 1p8a h SER 92 N 0.00 0.00 0.04 1.25 0.87 0.34 -3.26 113.55 112.80 1p8a h SER 92 Ca -0.01 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1p8a h SER 92 Cb 1.11 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 1p8a h SER 92 CO 0.07 0.87 -1.89 0.47 -0.53 0.00 0.00 176.83 175.83 1p8a n ASP 93 N -3.41 1.98 -0.33 6.23 9.92 -0.08 -4.19 116.55 126.67 1p8a n ASP 93 Ca 0.00 0.26 0.24 0.00 -0.53 0.00 0.00 54.79 54.76 1p8a n ASP 93 Cb 0.86 -0.84 0.53 0.00 -0.64 0.00 0.00 41.12 41.03 1p8a n ASP 93 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1p8a h ILE 94 N -0.50 0.49 0.00 0.53 2.10 -0.82 1.54 117.51 120.85 1p8a h ILE 94 Ca -0.46 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.36 1p8a h ILE 94 Cb 1.69 0.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.53 1p8a h ILE 94 CO -0.13 0.06 0.00 -0.46 -1.08 0.00 0.00 178.15 176.55 1p8a n ASN 95 N -4.61 0.00 0.23 2.19 0.23 -1.23 -2.43 115.26 109.64 1p8a n ASN 95 Ca 0.26 0.39 0.13 0.00 -0.53 0.00 0.00 54.58 54.83 1p8a n ASN 95 Cb 0.93 -0.45 0.29 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.00 0.00 0.53 0.87 0.20 -3.27 113.55 111.89 1p8a h SER 96 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1p8a h SER 96 Cb 0.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1p8a h SER 96 CO 0.00 0.01 -2.04 1.15 -0.53 0.00 0.00 176.83 175.42 1p8a n MET 97 N -3.10 0.88 -1.65 2.24 0.00 -1.02 -4.97 117.12 109.49 1p8a n MET 97 Ca 0.03 -0.09 -0.43 0.00 0.00 0.00 0.00 57.70 57.21 1p8a n MET 97 Cb 0.48 -1.45 -0.01 0.00 0.00 0.00 0.00 33.22 32.24 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 -2.41 1.82 -1.41 3.17 5.02 -1.16 -4.95 118.16 118.23 1p8a n LYS 98 Ca -0.17 0.64 -0.29 0.00 -2.02 0.00 0.00 58.31 56.47 1p8a n LYS 98 Cb 0.80 -2.14 0.15 0.00 -0.02 0.00 0.00 35.03 33.81 1p8a n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1p8a s PRO 99 N -1.65 0.90 0.00 1.97 0.04 -1.26 -4.91 135.00 130.10 1p8a s PRO 99 Ca 0.58 0.37 0.17 0.00 0.04 0.00 0.00 61.00 62.16 1p8a s PRO 99 Cb -0.63 -1.80 0.85 0.00 0.04 0.00 0.00 34.50 32.96 1p8a s PRO 99 CO 0.60 -2.38 1.53 0.45 0.04 0.00 0.00 177.00 177.24 1p8a n SER 100 N -3.91 0.00 -3.20 6.66 2.88 -1.26 -3.76 113.62 111.03 1p8a n SER 100 Ca 0.06 0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 57.49 1p8a n SER 100 Cb 0.58 -0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.32 0.64 -4.90 -3.46 3.02 -1.26 -5.12 115.26 102.85 1p8a n ASN 101 Ca 0.07 -2.82 -0.28 0.00 -0.03 0.00 0.00 54.58 51.53 1p8a n ASN 101 Cb 0.15 -0.64 0.03 0.00 -0.61 0.00 0.00 39.78 38.71 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 -2.70 3.21 -3.56 0.00 3.00 -1.26 -5.02 116.66 110.34 1p8a n ARG 103 Ca 0.05 -3.90 -0.11 0.00 -0.01 0.00 0.00 57.85 53.88 1p8a n ARG 103 Cb 0.57 -2.21 -0.03 0.00 0.00 0.00 0.00 32.46 30.79 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N -3.59 -1.29 -0.07 7.54 0.00 -1.26 -4.53 121.76 118.56 1p8a s ALA 104 Ca 0.52 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1p8a s ALA 104 Cb 0.42 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.37 1p8a s ALA 104 CO 0.02 -0.76 -0.21 0.21 0.00 0.00 0.00 175.76 175.02 1p8a s LYS 105 N -3.80 2.43 -0.34 0.00 2.20 0.45 -4.95 119.74 115.73 1p8a s LYS 105 Ca 0.04 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.74 1p8a s LYS 105 Cb -0.01 -1.96 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1p8a s LYS 105 CO -0.10 0.22 0.38 0.14 -0.36 0.00 0.00 175.35 175.62 1p8a s VAL 106 N 0.21 5.16 0.33 4.02 -7.23 -1.26 -1.06 120.40 120.56 1p8a s VAL 106 Ca -0.11 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 1p8a s VAL 106 Cb -0.15 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 1p8a s VAL 106 CO 0.05 -0.10 0.50 -0.69 -0.31 0.00 0.00 175.10 174.55 1p8a s VAL 107 N 2.05 4.78 -0.33 1.32 1.01 0.14 -4.93 120.40 124.44 1p8a s VAL 107 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1p8a s VAL 107 Cb -0.16 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1p8a s VAL 107 CO 0.12 -0.39 0.16 -0.22 0.00 0.00 0.00 175.10 174.77 1p8a s LEU 108 N -4.24 4.30 -0.18 3.92 2.96 -1.26 -0.66 118.68 123.52 1p8a s LEU 108 Ca 0.41 -0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 53.29 1p8a s LEU 108 Cb -0.09 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1p8a s LEU 108 CO 0.33 -0.27 0.86 0.12 -1.32 0.00 0.00 176.35 176.08 1p8a s PHE 109 N 1.56 3.41 0.49 5.38 5.36 0.69 -4.87 117.98 129.99 1p8a s PHE 109 Ca 0.03 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1p8a s PHE 109 Cb -0.18 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1p8a s PHE 109 CO 0.05 -0.28 0.00 0.09 -1.46 0.00 0.00 175.22 173.62 1p8a n ASN 110 N 5.42 -8.67 -4.23 6.13 5.03 -1.26 -4.57 115.26 113.10 1p8a n ASN 110 Ca 0.06 1.03 -0.30 0.00 0.87 0.00 0.00 54.58 56.24 1p8a n ASN 110 Cb 0.48 -4.70 0.18 0.00 -1.02 0.00 0.00 39.78 34.73 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1p8a s PRO 111 N -3.28 0.28 0.00 3.52 0.04 -1.26 -4.90 135.00 129.40 1p8a s PRO 111 Ca 0.00 -0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.04 1p8a s PRO 111 Cb 0.00 -1.78 0.72 0.00 0.04 0.00 0.00 34.50 33.49 1p8a s PRO 111 CO 0.00 -2.70 1.23 -0.35 0.04 0.00 0.00 177.00 175.22 1p8a n PRO 112 N -4.04 0.68 0.15 0.56 -0.04 -1.26 -4.01 135.00 127.03 1p8a n PRO 112 Ca 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1p8a n PRO 112 Cb 0.59 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1p8a n PRO 112 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1p8a h ASN 113 N 0.00 -0.81 0.00 3.54 -0.73 -1.90 -3.46 115.58 112.22 1p8a h ASN 113 Ca 0.00 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1p8a h ASN 113 Cb 0.00 0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1p8a h ASN 113 CO 0.00 -0.37 0.00 0.61 -0.37 0.00 0.00 177.43 177.30 1p8a n GLY 114 N -1.31 4.32 0.57 1.57 0.00 -1.26 -5.03 105.19 104.06 1p8a n GLY 114 Ca -0.06 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.20 1.65 0.00 1.61 0.31 -1.26 -4.79 118.33 115.65 1p8a n VAL 115 Ca 0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 64.34 61.91 1p8a n VAL 115 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1p8a n VAL 115 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1p8a n ASP 116 N -0.90 0.00 -1.11 4.52 5.68 -1.26 -3.46 116.55 120.02 1p8a n ASP 116 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1p8a n ASP 116 Cb 0.74 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1p8a n ASP 116 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1p8a n ASP 117 N -1.59 -6.13 -3.96 -1.12 2.03 -1.26 -4.46 116.55 100.06 1p8a n ASP 117 Ca 0.00 1.10 -0.40 0.00 0.52 0.00 0.00 54.79 56.02 1p8a n ASP 117 Cb 0.00 -3.18 -0.04 0.00 -0.72 0.00 0.00 41.12 37.18 1p8a n ASP 117 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1p8a n PRO 118 N -1.63 2.00 -2.64 -0.67 -0.04 -1.26 -4.63 135.00 126.13 1p8a n PRO 118 Ca 0.00 -2.30 -0.02 0.00 -0.04 0.00 0.00 63.50 61.14 1p8a n PRO 118 Cb 0.17 -3.23 -0.02 0.00 -0.04 0.00 0.00 33.50 30.38 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 8.78 -2.62 -3.31 0.54 4.01 -1.26 -5.01 117.16 118.28 1p8a n TYR 119 Ca 0.49 1.54 -0.10 0.00 -0.16 0.00 0.00 57.90 59.67 1p8a n TYR 119 Cb 0.42 -2.65 -0.06 0.00 -0.31 0.00 0.00 39.34 36.74 1p8a n TYR 119 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1p8a s TYR 120 N -0.37 -0.88 0.00 -0.72 6.14 -1.26 -5.11 117.35 115.15 1p8a s TYR 120 Ca -0.12 -0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.47 1p8a s TYR 120 Cb 0.01 -0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.23 1p8a s TYR 120 CO 0.33 -1.02 0.00 0.45 0.64 0.00 0.00 175.55 175.95 1p8a n SER 121 N 4.76 0.00 0.27 4.32 2.88 -1.26 -0.85 113.62 123.74 1p8a n SER 121 Ca 0.07 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.78 1p8a n SER 121 Cb 0.49 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.63 1p8a n SER 121 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1p8a h SER 122 N 1.52 0.00 -0.54 -3.46 0.02 -2.03 -3.44 113.55 105.63 1p8a h SER 122 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1p8a h SER 122 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1p8a h SER 122 CO 0.00 0.00 1.66 -0.67 -1.14 0.00 0.00 176.83 176.68 1p8a n ASP 123 N -3.04 1.05 0.00 3.07 2.03 -0.03 -2.45 116.55 117.19 1p8a n ASP 123 Ca 0.01 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1p8a n ASP 123 Cb 0.30 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 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 6.44 1.72 0.32 0.27 0.00 -1.26 -4.28 105.19 108.40 1p8a n GLY 124 Ca 0.55 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.27 0.18 1.61 0.04 -1.82 2.68 116.94 119.36 1p8a h PHE 125 Ca 0.00 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1p8a h PHE 125 Cb 0.00 0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1p8a h PHE 125 CO 0.00 -0.36 -0.09 -1.00 -0.60 0.00 0.00 178.31 176.26 1p8a h PRO 126 N 0.03 -0.23 0.28 1.51 0.13 -1.92 -3.13 132.00 128.66 1p8a h PRO 126 Ca 0.47 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.60 1p8a h PRO 126 Cb 0.81 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1p8a h PRO 126 CO -0.86 0.17 -0.13 1.15 -0.23 0.00 0.00 178.00 178.09 1p8a h THR 127 N -0.89 0.76 0.00 1.56 2.02 -1.59 0.76 112.91 115.53 1p8a h THR 127 Ca -0.02 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1p8a h THR 127 Cb 0.51 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1p8a h THR 127 CO 0.04 0.07 0.00 0.80 0.37 0.00 0.00 175.52 176.80 1p8a n MET 128 N -5.18 0.00 -0.17 6.66 0.00 0.89 -0.62 117.12 118.70 1p8a n MET 128 Ca -0.10 0.97 -0.05 0.00 0.00 0.00 0.00 57.70 58.52 1p8a n MET 128 Cb 0.22 -1.49 0.04 0.00 0.00 0.00 0.00 33.22 31.98 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 0.53 -0.18 1.12 3.57 -1.60 0.34 116.94 120.72 1p8a h PHE 129 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1p8a h PHE 129 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1p8a h PHE 129 CO -0.88 0.29 -0.15 0.00 -2.23 0.00 0.00 178.31 175.34 1p8a h ALA 130 N 1.24 -0.30 -0.68 2.41 0.00 0.74 -0.47 119.26 122.19 1p8a h ALA 130 Ca 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1p8a h ALA 130 Cb 0.05 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1p8a h ALA 130 CO -0.11 -0.39 0.12 1.03 0.00 0.00 0.00 179.25 179.89 1p8a h SER 131 N -0.06 1.08 -0.97 0.00 0.87 -0.76 0.30 113.55 114.01 1p8a h SER 131 Ca 0.03 -0.26 0.32 0.00 -1.23 0.00 0.00 61.79 60.65 1p8a h SER 131 Cb 0.14 -0.29 -0.17 0.00 -0.44 0.00 0.00 62.40 61.65 1p8a h SER 131 CO -0.20 1.06 0.32 0.40 -0.53 0.00 0.00 176.83 177.88 1p8a h ILE 132 N 1.05 0.13 0.02 2.23 1.08 0.10 -0.62 117.51 121.51 1p8a h ILE 132 Ca 0.21 -0.04 -0.40 0.00 -0.39 0.00 0.00 64.86 64.24 1p8a h ILE 132 Cb 0.44 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 1p8a h ILE 132 CO 0.01 0.02 -2.38 -1.54 -0.69 0.00 0.00 178.15 173.57 1p8a n SER 133 N -5.28 1.99 -0.35 1.72 3.41 -0.32 -3.41 113.62 111.38 1p8a n SER 133 Ca 0.29 0.05 0.36 0.00 -0.26 0.00 0.00 58.87 59.31 1p8a n SER 133 Cb 0.94 -0.59 0.75 0.00 -0.26 0.00 0.00 64.21 65.04 1p8a n SER 133 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1p8a h LYS 134 N -0.28 0.01 -0.02 4.33 1.79 0.16 0.73 116.57 123.29 1p8a h LYS 134 Ca -0.58 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 1p8a h LYS 134 Cb 1.82 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1p8a h LYS 134 CO -0.16 0.01 -0.21 -1.91 -1.08 0.00 0.00 179.45 176.10 1p8a n GLU 135 N -4.17 1.56 -0.23 3.15 4.07 -0.29 -4.39 120.64 120.34 1p8a n GLU 135 Ca 0.27 -1.07 0.02 0.00 -0.06 0.00 0.00 57.16 56.31 1p8a n GLU 135 Cb 1.30 -1.30 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1p8a n MET 136 N 0.27 1.97 -0.03 5.31 1.56 0.25 -3.60 117.12 122.86 1p8a n MET 136 Ca 0.08 -0.79 -0.03 0.00 -0.27 0.00 0.00 57.70 56.69 1p8a n MET 136 Cb 0.37 -1.69 -0.01 0.00 2.15 0.00 0.00 33.22 34.05 1p8a n MET 136 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1p8a n LYS 137 N 0.16 0.19 0.00 2.12 4.76 -1.24 -4.55 118.16 119.59 1p8a n LYS 137 Ca 0.07 0.07 0.10 0.00 -2.87 0.00 0.00 58.31 55.69 1p8a n LYS 137 Cb 0.50 -0.76 0.59 0.00 -1.84 0.00 0.00 35.03 33.51 1p8a n LYS 137 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1p8a n PRO 138 N -3.32 0.55 0.00 1.97 -0.04 -1.26 -2.46 135.00 130.44 1p8a n PRO 138 Ca -0.05 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1p8a n PRO 138 Cb 0.19 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.08 0.00 0.07 0.54 7.35 -1.24 -3.42 117.46 119.68 1p8a n PHE 139 Ca 0.14 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.77 1p8a n PHE 139 Cb 0.10 -0.18 0.12 0.00 0.35 0.00 0.00 39.48 39.86 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 0.35 -1.99 -2.13 8.10 -1.81 0.23 115.31 118.05 1p8a h LEU 140 Ca 0.00 -0.19 0.08 0.00 0.11 0.00 0.00 57.88 57.88 1p8a h LEU 140 Cb 0.00 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.11 1p8a h LEU 140 CO 0.00 0.84 0.21 0.74 -4.11 0.00 0.00 178.44 176.13 1p8a h THR 141 N 0.24 0.86 0.00 0.15 2.02 -1.69 -1.79 112.91 112.70 1p8a h THR 141 Ca -0.00 -0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1p8a h THR 141 Cb 1.07 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1p8a h THR 141 CO 0.09 0.00 -2.15 -0.62 0.37 0.00 0.00 175.52 173.21 1p8a n GLU 142 N -4.45 0.47 -0.16 6.66 -0.58 -1.12 -3.57 120.64 117.89 1p8a n GLU 142 Ca 0.04 0.16 0.27 0.00 -0.42 0.00 0.00 57.16 57.21 1p8a n GLU 142 Cb 0.37 -1.32 0.54 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.38 0.00 0.00 -0.32 3.86 -0.52 -3.42 115.15 114.38 1p8a h HIS 143 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1p8a h HIS 143 Cb 1.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1p8a h HIS 143 CO -0.02 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.18 1p8a n GLY 144 N -1.67 0.29 1.01 2.45 0.00 -1.10 -5.06 105.19 101.11 1p8a n GLY 144 Ca 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 0.99 -0.00 -0.69 -4.08 117.00 113.22 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 145 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1p8a n LEU 145 CO 0.00 -0.25 0.06 -0.38 -0.00 0.00 0.00 177.39 176.82