#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8d s ILE 2 N 0.00 3.24 -0.31 2.02 1.01 -1.10 -4.85 121.20 121.21 1x8d s ILE 2 Ca 0.00 0.84 -0.14 0.00 0.00 0.00 0.00 60.65 61.35 1x8d s ILE 2 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 1x8d s ILE 2 CO 0.00 0.05 0.34 -0.13 0.00 0.00 0.00 174.94 175.19 1x8d s ARG 3 N 1.45 3.75 -0.06 2.79 0.52 -1.26 -1.13 118.95 125.01 1x8d s ARG 3 Ca 0.66 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 1x8d s ARG 3 Cb -0.37 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 1x8d s ARG 3 CO 0.30 -0.40 -0.07 0.15 0.02 0.00 0.00 175.30 175.30 1x8d s LYS 4 N 1.99 2.74 0.00 3.54 1.02 0.10 -4.97 119.74 124.15 1x8d s LYS 4 Ca 0.12 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.56 1x8d s LYS 4 Cb -0.16 -2.59 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1x8d s LYS 4 CO 0.11 0.66 -0.03 0.00 -0.92 0.00 0.00 175.35 175.18 1x8d s ALA 5 N -0.83 0.21 0.16 5.17 0.00 -1.26 -0.83 121.76 124.39 1x8d s ALA 5 Ca 0.13 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1x8d s ALA 5 Cb -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1x8d s ALA 5 CO 0.02 0.04 0.36 -0.59 0.00 0.00 0.00 175.76 175.59 1x8d s PHE 6 N -0.16 0.13 -0.01 0.00 -0.71 -0.88 -0.49 117.98 115.86 1x8d s PHE 6 Ca -0.00 -0.49 0.06 0.00 -1.04 0.00 0.00 56.93 55.46 1x8d s PHE 6 Cb -0.02 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1x8d s PHE 6 CO -0.00 -0.76 -0.20 0.54 -1.34 0.00 0.00 175.22 173.45 1x8d s VAL 7 N -3.91 1.62 0.30 -2.49 0.11 0.39 -1.10 120.40 115.32 1x8d s VAL 7 Ca 0.12 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1x8d s VAL 7 Cb 0.02 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 1x8d s VAL 7 CO -0.04 0.43 0.09 0.23 -3.33 0.00 0.00 175.10 172.48 1x8d n MET 8 N 2.51 0.75 -4.39 1.54 2.81 0.47 -1.55 117.12 119.26 1x8d n MET 8 Ca -0.15 -2.47 -0.21 0.00 -1.81 0.00 0.00 57.70 53.05 1x8d n MET 8 Cb 0.53 1.24 -0.10 0.00 -0.71 0.00 0.00 33.22 34.18 1x8d n MET 8 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1x8d s GLN 9 N -3.13 1.44 0.06 0.03 -0.21 -1.25 -0.90 119.66 115.70 1x8d s GLN 9 Ca 0.13 -1.61 0.03 0.00 0.02 0.00 0.00 55.36 53.93 1x8d s GLN 9 Cb 0.01 -1.41 -0.03 0.00 1.00 0.00 0.00 33.01 32.58 1x8d s GLN 9 CO 0.09 0.26 -0.10 0.54 -2.12 0.00 0.00 175.29 173.95 1x8d s VAL 10 N -2.59 0.78 0.38 1.09 0.11 -0.99 -4.19 120.40 114.99 1x8d s VAL 10 Ca 0.24 -1.21 -0.27 0.00 -2.93 0.00 0.00 61.98 57.82 1x8d s VAL 10 Cb -0.03 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1x8d s VAL 10 CO 0.10 -0.34 1.25 0.20 -3.33 0.00 0.00 175.10 172.97 1x8d s ASN 11 N -1.70 6.55 0.55 3.54 0.02 -0.26 -4.78 114.94 118.84 1x8d s ASN 11 Ca -0.06 2.53 0.23 0.00 -1.02 0.00 0.00 52.86 54.54 1x8d s ASN 11 Cb -0.09 -2.63 1.45 0.00 0.02 0.00 0.00 41.25 39.99 1x8d s ASN 11 CO 0.01 -0.67 2.10 1.55 0.02 0.00 0.00 177.10 180.11 1x8d h PRO 12 N 2.90 0.00 -0.67 -0.60 0.13 -1.95 -1.62 132.00 130.20 1x8d h PRO 12 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x8d h PRO 12 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x8d h PRO 12 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 1x8d n ASP 13 N -4.25 4.73 -0.08 1.44 5.75 -1.26 -4.36 116.55 118.51 1x8d n ASP 13 Ca 0.02 -2.40 0.06 0.00 -0.01 0.00 0.00 54.79 52.45 1x8d n ASP 13 Cb 0.29 -0.58 0.08 0.00 -1.03 0.00 0.00 41.12 39.88 1x8d n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x8d n ALA 14 N 1.20 2.10 -0.04 2.12 0.00 -0.61 -4.82 120.51 120.46 1x8d n ALA 14 Ca 0.26 -1.88 -0.08 0.00 0.00 0.00 0.00 53.44 51.74 1x8d n ALA 14 Cb 0.87 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1x8d n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x8d h HIS 15 N 0.00 -0.41 -0.47 0.00 3.86 -1.76 -0.72 115.15 115.65 1x8d h HIS 15 Ca 0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1x8d h HIS 15 Cb 0.88 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 1x8d h HIS 15 CO 0.01 -0.23 0.10 1.49 0.86 0.00 0.00 177.93 180.16 1x8d h GLU 16 N -0.16 0.76 -0.17 2.45 4.81 -1.95 -2.67 114.58 117.64 1x8d h GLU 16 Ca 0.12 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1x8d h GLU 16 Cb 0.35 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1x8d h GLU 16 CO -0.31 0.75 -0.39 1.49 -0.73 0.00 0.00 179.01 179.83 1x8d h GLU 17 N 0.63 0.39 0.05 1.92 4.57 -1.87 -1.48 114.58 118.78 1x8d h GLU 17 Ca 0.15 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1x8d h GLU 17 Cb 0.34 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1x8d h GLU 17 CO 0.00 0.72 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.61 1x8d h TYR 18 N 0.33 -0.06 -0.55 0.92 5.03 -1.05 -1.58 116.97 120.01 1x8d h TYR 18 Ca 0.03 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.38 1x8d h TYR 18 Cb 0.83 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.08 1x8d h TYR 18 CO 0.02 0.16 0.30 0.37 -1.32 0.00 0.00 178.16 177.69 1x8d h GLN 19 N -0.27 0.56 -0.79 1.82 4.15 -1.35 -2.20 115.11 117.02 1x8d h GLN 19 Ca -0.01 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.47 1x8d h GLN 19 Cb 0.25 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.74 1x8d h GLN 19 CO 0.01 0.37 0.44 -0.09 -1.93 0.00 0.00 178.83 177.63 1x8d h ARG 20 N 0.57 0.72 0.00 1.69 2.43 -1.10 -1.30 114.38 117.39 1x8d h ARG 20 Ca 0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1x8d h ARG 20 Cb 0.12 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1x8d h ARG 20 CO -0.15 0.48 0.00 0.54 -1.51 0.00 0.00 179.97 179.33 1x8d n ARG 21 N -4.77 0.15 -0.32 0.20 1.74 -0.61 -2.04 116.66 111.01 1x8d n ARG 21 Ca 0.13 0.51 0.08 0.00 -0.77 0.00 0.00 57.85 57.79 1x8d n ARG 21 Cb 0.27 -1.87 0.24 0.00 -1.02 0.00 0.00 32.46 30.07 1x8d n ARG 21 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1x8d n HIS 22 N -2.17 0.79 -3.34 -1.55 8.25 -0.50 -3.77 115.22 112.93 1x8d n HIS 22 Ca 0.01 -0.56 -0.26 0.00 -0.26 0.00 0.00 57.72 56.65 1x8d n HIS 22 Cb 0.13 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 1x8d n HIS 22 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1x8d n ASN 23 N 0.75 0.78 -5.00 0.41 3.02 -0.87 -3.68 115.26 110.68 1x8d n ASN 23 Ca 0.18 -2.76 -0.18 0.00 -0.03 0.00 0.00 54.58 51.78 1x8d n ASN 23 Cb 0.59 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 1x8d n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x8d s PRO 24 N -1.06 2.67 0.77 3.52 0.04 -1.26 -4.98 135.00 134.70 1x8d s PRO 24 Ca 0.34 -1.24 -0.11 0.00 0.04 0.00 0.00 61.00 60.04 1x8d s PRO 24 Cb 0.11 -2.69 0.07 0.00 0.04 0.00 0.00 34.50 32.03 1x8d s PRO 24 CO -0.13 -0.46 1.12 0.96 0.04 0.00 0.00 177.00 178.54 1x8d s ILE 25 N -2.48 2.29 0.32 0.56 -4.36 -1.24 -4.82 121.20 111.46 1x8d s ILE 25 Ca 0.57 -0.01 -0.29 0.00 -0.26 0.00 0.00 60.65 60.66 1x8d s ILE 25 Cb -0.09 -3.07 -0.13 0.00 1.25 0.00 0.00 42.46 40.42 1x8d s ILE 25 CO 0.35 -0.09 1.31 0.79 0.24 0.00 0.00 174.94 177.54 1x8d n TRP 26 N -3.17 2.21 0.04 1.37 8.01 -1.26 -4.83 117.44 119.81 1x8d n TRP 26 Ca 0.08 0.53 0.04 0.00 -1.31 0.00 0.00 57.50 56.83 1x8d n TRP 26 Cb 0.60 -2.42 0.43 0.00 -2.01 0.00 0.00 31.31 27.91 1x8d n TRP 26 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1x8d h PRO 27 N 2.93 0.45 0.00 -0.99 0.11 -1.99 -1.76 132.00 130.75 1x8d h PRO 27 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1x8d h PRO 27 Cb 1.28 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1x8d h PRO 27 CO 0.66 0.35 -0.27 1.05 -0.21 0.00 0.00 178.00 179.58 1x8d h GLU 28 N 0.46 0.00 0.23 1.05 4.11 -1.99 -0.04 114.58 118.40 1x8d h GLU 28 Ca 0.12 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.22 1x8d h GLU 28 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.32 1x8d h GLU 28 CO -0.02 0.27 -1.45 1.25 0.07 0.00 0.00 179.01 179.14 1x8d h LEU 29 N 0.00 0.76 -0.50 3.06 5.85 -1.75 -2.75 115.31 119.99 1x8d h LEU 29 Ca -0.00 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1x8d h LEU 29 Cb 0.58 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1x8d h LEU 29 CO 0.03 1.64 0.33 -0.08 -0.34 0.00 0.00 178.44 180.03 1x8d h GLU 30 N 0.13 0.65 -0.81 1.25 4.81 -0.97 -0.43 114.58 119.22 1x8d h GLU 30 Ca -0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1x8d h GLU 30 Cb 2.13 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 31.32 1x8d h GLU 30 CO 0.26 0.43 0.53 0.00 -0.73 0.00 0.00 179.01 179.50 1x8d h ALA 31 N 1.18 1.61 -0.20 2.92 0.00 -1.03 -1.06 119.26 122.69 1x8d h ALA 31 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1x8d h ALA 31 Cb -0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1x8d h ALA 31 CO -0.04 0.26 -0.30 0.28 0.00 0.00 0.00 179.25 179.45 1x8d h VAL 32 N 0.88 1.33 0.08 0.00 2.07 -1.05 -1.15 116.25 118.42 1x8d h VAL 32 Ca 0.35 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1x8d h VAL 32 Cb 0.23 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1x8d h VAL 32 CO -0.12 0.47 -0.06 -0.07 0.02 0.00 0.00 177.57 177.80 1x8d h LEU 33 N 0.23 -0.16 -0.41 2.57 3.38 -0.47 -0.10 115.31 120.35 1x8d h LEU 33 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1x8d h LEU 33 Cb 0.88 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1x8d h LEU 33 CO 0.07 -0.10 0.19 0.11 0.09 0.00 0.00 178.44 178.80 1x8d h LYS 34 N -0.15 0.60 -0.91 1.13 1.79 -1.28 -2.25 116.57 115.51 1x8d h LYS 34 Ca -0.00 -0.10 0.15 0.00 -2.18 0.00 0.00 60.65 58.52 1x8d h LYS 34 Cb 0.13 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 1x8d h LYS 34 CO -0.01 0.54 0.59 1.03 -1.08 0.00 0.00 179.45 180.51 1x8d h SER 35 N 0.52 0.69 -0.33 0.86 0.87 -0.90 -1.60 113.55 113.66 1x8d h SER 35 Ca 0.14 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1x8d h SER 35 Cb 0.14 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1x8d h SER 35 CO -0.02 0.34 0.05 1.41 -0.53 0.00 0.00 176.83 178.08 1x8d n HIS 36 N -4.58 1.17 -1.80 2.24 8.25 -0.08 -4.91 115.22 115.52 1x8d n HIS 36 Ca 0.18 -0.50 -0.02 0.00 -0.26 0.00 0.00 57.72 57.12 1x8d n HIS 36 Cb 0.47 -0.36 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 1x8d n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x8d n GLY 37 N 0.23 0.35 3.85 -1.41 0.00 -0.60 -4.00 105.19 103.61 1x8d n GLY 37 Ca 0.17 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1x8d n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8d s ALA 38 N -2.10 3.75 0.02 4.61 0.00 -0.88 -1.13 121.76 126.03 1x8d s ALA 38 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1x8d s ALA 38 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1x8d s ALA 38 CO 0.00 0.54 0.06 -1.01 0.00 0.00 0.00 175.76 175.35 1x8d s HIS 39 N -1.16 0.20 -1.60 0.00 0.09 0.79 -4.54 115.29 109.07 1x8d s HIS 39 Ca 0.25 -0.46 -0.10 0.00 -0.00 0.00 0.00 55.06 54.75 1x8d s HIS 39 Cb -0.15 -0.15 0.09 0.00 -0.00 0.00 0.00 32.58 32.37 1x8d s HIS 39 CO 0.13 -0.29 0.49 0.09 -0.00 0.00 0.00 174.74 175.15 1x8d n ASN 40 N 1.15 -1.30 -4.62 1.40 5.03 -1.26 -1.19 115.26 114.47 1x8d n ASN 40 Ca -0.21 -1.09 -0.43 0.00 0.87 0.00 0.00 54.58 53.72 1x8d n ASN 40 Cb 0.57 -2.47 -0.02 0.00 -1.02 0.00 0.00 39.78 36.83 1x8d n ASN 40 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1x8d s TYR 41 N -3.72 2.43 0.09 3.10 6.14 -1.26 -4.40 117.35 119.72 1x8d s TYR 41 Ca 0.37 0.73 0.07 0.00 0.64 0.00 0.00 57.07 58.88 1x8d s TYR 41 Cb -0.20 -4.02 -0.03 0.00 0.42 0.00 0.00 41.96 38.13 1x8d s TYR 41 CO 0.94 -2.17 -0.19 0.00 0.64 0.00 0.00 175.55 174.78 1x8d s ALA 42 N 4.92 1.64 -0.05 3.97 0.00 -0.12 -5.00 121.76 127.12 1x8d s ALA 42 Ca 0.63 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1x8d s ALA 42 Cb -0.19 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1x8d s ALA 42 CO 0.27 0.32 -0.03 0.42 0.00 0.00 0.00 175.76 176.74 1x8d s ILE 43 N -1.14 0.45 -0.01 0.00 1.01 -1.26 -1.24 121.20 119.02 1x8d s ILE 43 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1x8d s ILE 43 Cb -0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1x8d s ILE 43 CO 0.03 0.22 -0.16 -0.31 0.00 0.00 0.00 174.94 174.72 1x8d s TYR 44 N 1.10 2.62 -0.21 3.97 1.51 0.15 -4.94 117.35 121.55 1x8d s TYR 44 Ca -0.08 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.64 1x8d s TYR 44 Cb -0.14 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.11 1x8d s TYR 44 CO -0.01 0.20 0.21 -1.17 -1.11 0.00 0.00 175.55 173.68 1x8d s LEU 45 N -1.05 4.16 -0.56 -1.29 2.96 -1.26 -0.60 118.68 121.05 1x8d s LEU 45 Ca 0.13 0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 1x8d s LEU 45 Cb -0.11 -2.21 0.14 0.00 0.50 0.00 0.00 46.19 44.51 1x8d s LEU 45 CO 0.03 0.07 0.50 -0.62 -1.32 0.00 0.00 176.35 175.01 1x8d s ASP 46 N 0.80 6.16 0.20 3.68 -1.08 0.16 -4.94 116.67 121.64 1x8d s ASP 46 Ca 0.11 -1.90 -0.09 0.00 -0.52 0.00 0.00 52.55 50.15 1x8d s ASP 46 Cb -0.13 -2.18 0.12 0.00 -1.46 0.00 0.00 42.92 39.27 1x8d s ASP 46 CO 0.03 -0.80 1.72 0.11 0.52 0.00 0.00 175.17 176.75 1x8d h LYS 47 N 8.70 1.14 0.00 4.34 1.57 -1.96 -0.65 116.57 129.71 1x8d h LYS 47 Ca -0.25 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1x8d h LYS 47 Cb 1.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1x8d h LYS 47 CO 0.98 0.99 -0.26 0.00 -0.57 0.00 0.00 179.45 180.59 1x8d h ALA 48 N 1.09 1.24 -0.01 3.86 0.00 -1.96 -3.23 119.26 120.26 1x8d h ALA 48 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x8d h ALA 48 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1x8d h ALA 48 CO -0.00 0.33 -0.34 0.54 0.00 0.00 0.00 179.25 179.78 1x8d n ARG 49 N -3.75 2.04 -3.56 0.00 1.74 -1.13 -4.99 116.66 107.01 1x8d n ARG 49 Ca -0.01 -0.58 -0.23 0.00 -0.77 0.00 0.00 57.85 56.26 1x8d n ARG 49 Cb 0.36 -1.17 0.08 0.00 -1.02 0.00 0.00 32.46 30.71 1x8d n ARG 49 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x8d n ASN 50 N -0.40 -5.80 -4.40 0.55 3.02 -0.30 -4.98 115.26 102.96 1x8d n ASN 50 Ca 0.05 -0.54 -0.30 0.00 -0.03 0.00 0.00 54.58 53.76 1x8d n ASN 50 Cb 0.27 -4.99 -0.13 0.00 -0.61 0.00 0.00 39.78 34.32 1x8d n ASN 50 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x8d s LEU 51 N -7.11 2.37 -0.19 3.41 1.43 -0.92 -2.36 118.68 115.31 1x8d s LEU 51 Ca 0.51 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1x8d s LEU 51 Cb -0.22 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1x8d s LEU 51 CO 0.72 0.21 -0.19 -0.76 0.23 0.00 0.00 176.35 176.56 1x8d s LEU 52 N -1.80 2.23 -0.23 1.79 1.43 -0.08 0.36 118.68 122.38 1x8d s LEU 52 Ca 0.14 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 1x8d s LEU 52 Cb -0.10 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1x8d s LEU 52 CO 0.06 -0.02 0.08 -0.36 0.23 0.00 0.00 176.35 176.33 1x8d s PHE 53 N 1.28 3.14 0.16 0.29 0.40 0.23 -0.39 117.98 123.09 1x8d s PHE 53 Ca 0.04 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.27 1x8d s PHE 53 Cb -0.14 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1x8d s PHE 53 CO -0.12 -0.16 -0.23 0.00 0.70 0.00 0.00 175.22 175.40 1x8d s ALA 54 N 1.19 2.30 -0.09 5.36 0.00 -0.26 0.32 121.76 130.58 1x8d s ALA 54 Ca 0.05 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.45 1x8d s ALA 54 Cb -0.14 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1x8d s ALA 54 CO 0.04 0.42 0.21 1.41 0.00 0.00 0.00 175.76 177.83 1x8d s MET 55 N -2.41 0.17 -0.05 0.00 0.00 -0.37 -2.08 119.30 114.56 1x8d s MET 55 Ca 0.16 0.45 -0.08 0.00 0.00 0.00 0.00 55.69 56.21 1x8d s MET 55 Cb -0.08 -0.12 0.02 0.00 0.00 0.00 0.00 34.83 34.64 1x8d s MET 55 CO 0.07 -0.15 0.21 0.54 0.00 0.00 0.00 175.02 175.69 1x8d s VAL 56 N 1.11 0.03 -0.23 10.11 0.11 -0.01 -0.95 120.40 130.57 1x8d s VAL 56 Ca -0.08 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 1x8d s VAL 56 Cb -0.10 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1x8d s VAL 56 CO -0.07 -0.15 0.13 -1.61 -3.33 0.00 0.00 175.10 170.07 1x8d s GLU 57 N -0.53 4.00 0.24 1.54 2.02 -0.33 0.00 118.70 125.64 1x8d s GLU 57 Ca -0.06 -0.31 0.11 0.00 0.02 0.00 0.00 54.97 54.73 1x8d s GLU 57 Cb -0.04 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 1x8d s GLU 57 CO 0.01 0.07 -0.17 0.96 0.02 0.00 0.00 175.26 176.15 1x8d s ILE 58 N 1.00 2.65 0.00 -1.63 -0.00 -0.28 -0.15 121.20 122.80 1x8d s ILE 58 Ca 0.06 -2.15 -0.09 0.00 -0.00 0.00 0.00 60.65 58.47 1x8d s ILE 58 Cb -0.14 -2.35 -0.31 0.00 -0.00 0.00 0.00 42.46 39.66 1x8d s ILE 58 CO 0.04 -0.28 0.86 -0.33 -0.00 0.00 0.00 174.94 175.23 1x8d h GLU 59 N 2.56 0.38 -3.74 0.37 5.08 -1.41 -2.90 114.58 114.92 1x8d h GLU 59 Ca -0.43 -0.66 -0.21 0.00 -1.00 0.00 0.00 59.36 57.06 1x8d h GLU 59 Cb 1.24 0.24 -0.26 0.00 0.50 0.00 0.00 28.75 30.47 1x8d h GLU 59 CO 0.56 1.29 -0.69 0.45 -1.00 0.00 0.00 179.01 179.61 1x8d s SER 60 N -7.28 0.04 0.18 1.42 0.15 -1.26 -4.87 113.70 102.07 1x8d s SER 60 Ca -0.11 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 1x8d s SER 60 Cb 0.06 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1x8d s SER 60 CO 0.88 -0.08 1.45 -0.33 1.20 0.00 0.00 173.24 176.36 1x8d h GLU 61 N 5.77 0.46 -0.21 5.44 4.39 -1.96 -1.85 114.58 126.62 1x8d h GLU 61 Ca -0.26 -0.35 -0.12 0.00 0.34 0.00 0.00 59.36 58.97 1x8d h GLU 61 Cb 1.21 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1x8d h GLU 61 CO 0.48 0.98 -0.33 1.49 -1.16 0.00 0.00 179.01 180.46 1x8d h GLU 62 N 0.33 0.59 -0.21 2.33 4.81 -1.98 -1.41 114.58 119.04 1x8d h GLU 62 Ca -0.02 -0.36 -0.13 0.00 -0.13 0.00 0.00 59.36 58.72 1x8d h GLU 62 Cb 1.25 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1x8d h GLU 62 CO 0.12 0.97 -0.43 0.00 -0.73 0.00 0.00 179.01 178.94 1x8d h ARG 63 N 0.27 0.50 -0.19 1.92 3.08 -1.86 -1.53 114.38 116.58 1x8d h ARG 63 Ca 0.02 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 1x8d h ARG 63 Cb 0.92 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1x8d h ARG 63 CO 0.08 0.83 -0.07 2.35 -1.07 0.00 0.00 179.97 182.09 1x8d h TRP 64 N 0.41 0.44 0.00 3.04 2.91 -1.32 -2.60 115.95 118.83 1x8d h TRP 64 Ca 0.03 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 1x8d h TRP 64 Cb 0.92 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1x8d h TRP 64 CO 0.03 0.67 -0.09 -0.91 -1.03 0.00 0.00 178.44 177.11 1x8d h ASN 65 N 0.09 0.00 0.22 2.65 2.35 -1.19 -2.00 115.58 117.70 1x8d h ASN 65 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1x8d h ASN 65 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1x8d h ASN 65 CO 0.02 0.09 -0.11 0.00 -1.65 0.00 0.00 177.43 175.78 1x8d h ALA 66 N 1.91 1.48 -0.96 -0.83 0.00 -0.87 -2.92 119.26 117.06 1x8d h ALA 66 Ca -0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1x8d h ALA 66 Cb 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1x8d h ALA 66 CO 0.01 0.14 0.61 0.28 0.00 0.00 0.00 179.25 180.29 1x8d h VAL 67 N 0.00 1.03 -0.23 0.00 2.07 -1.30 -2.27 116.25 115.55 1x8d h VAL 67 Ca -0.00 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1x8d h VAL 67 Cb 0.25 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1x8d h VAL 67 CO 0.01 0.19 0.19 0.00 0.02 0.00 0.00 177.57 177.98 1x8d h ALA 68 N 1.46 2.07 0.00 1.67 0.00 -1.69 -2.36 119.26 120.42 1x8d h ALA 68 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1x8d h ALA 68 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x8d h ALA 68 CO -0.20 -0.30 -0.62 0.77 0.00 0.00 0.00 179.25 178.90 1x8d h SER 69 N 0.00 0.00 -4.05 0.00 0.02 -1.59 -3.41 113.55 104.52 1x8d h SER 69 Ca 0.11 -0.14 -0.54 0.00 -0.84 0.00 0.00 61.79 60.38 1x8d h SER 69 Cb 0.48 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.13 1x8d h SER 69 CO -0.00 0.07 0.55 0.42 -1.14 0.00 0.00 176.83 176.73 1x8d s THR 70 N -3.20 2.42 0.18 -2.27 -4.23 -0.89 -4.87 115.64 102.78 1x8d s THR 70 Ca 0.05 0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1x8d s THR 70 Cb 0.12 -3.15 0.09 0.00 1.34 0.00 0.00 72.50 70.90 1x8d s THR 70 CO 0.72 -0.02 1.77 0.44 -0.54 0.00 0.00 174.62 177.00 1x8d h ASP 71 N 1.47 0.31 -0.49 3.99 3.45 -1.92 -1.93 116.42 121.29 1x8d h ASP 71 Ca -0.50 0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.04 1x8d h ASP 71 Cb 1.29 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 40.01 1x8d h ASP 71 CO 0.57 0.21 0.25 1.62 -1.57 0.00 0.00 179.24 180.32 1x8d h VAL 72 N 0.45 0.96 -0.52 -1.35 3.04 -1.93 0.15 116.25 117.04 1x8d h VAL 72 Ca 0.23 -0.17 -0.09 0.00 -1.01 0.00 0.00 66.70 65.66 1x8d h VAL 72 Cb 0.19 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.88 1x8d h VAL 72 CO -0.19 0.09 -0.04 0.00 -1.01 0.00 0.00 177.57 176.41 1x8d h GLN 74 N 0.84 0.97 -0.32 0.00 1.08 -0.88 0.38 115.11 117.18 1x8d h GLN 74 Ca 0.15 -0.24 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 1x8d h GLN 74 Cb 0.56 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1x8d h GLN 74 CO 0.03 0.90 -0.38 -0.09 -0.95 0.00 0.00 178.83 178.34 1x8d h ARG 75 N 0.91 0.76 0.09 1.46 2.43 -0.21 -2.06 114.38 117.76 1x8d h ARG 75 Ca 0.19 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1x8d h ARG 75 Cb 0.40 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1x8d h ARG 75 CO 0.01 1.00 -0.04 2.35 -1.51 0.00 0.00 179.97 181.78 1x8d h TRP 76 N 0.62 -0.11 -0.97 2.20 2.91 -0.17 -2.16 115.95 118.27 1x8d h TRP 76 Ca 0.06 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.14 1x8d h TRP 76 Cb 0.92 0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.54 1x8d h TRP 76 CO 0.05 0.12 0.62 -1.49 -1.03 0.00 0.00 178.44 176.71 1x8d h TRP 77 N -0.33 1.16 -0.63 2.65 6.55 -0.92 0.12 115.95 124.55 1x8d h TRP 77 Ca -0.01 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.81 1x8d h TRP 77 Cb 0.28 -0.38 -0.03 0.00 -0.86 0.00 0.00 29.16 28.17 1x8d h TRP 77 CO -0.00 0.60 0.22 -0.22 -1.05 0.00 0.00 178.44 177.99 1x8d h LYS 78 N 1.14 0.97 -0.53 0.49 3.64 -1.25 -2.06 116.57 118.97 1x8d h LYS 78 Ca 0.42 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1x8d h LYS 78 Cb 0.16 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1x8d h LYS 78 CO -0.17 0.84 0.22 -0.92 -2.27 0.00 0.00 179.45 177.14 1x8d h TYR 79 N 0.90 0.76 0.00 1.91 3.20 -0.57 -2.98 116.97 120.19 1x8d h TYR 79 Ca 0.21 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1x8d h TYR 79 Cb 0.26 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1x8d h TYR 79 CO 0.02 0.59 -0.07 -1.33 -1.64 0.00 0.00 178.16 175.72 1x8d n MET 80 N -4.34 0.01 0.32 1.82 2.81 0.30 -4.07 117.12 113.96 1x8d n MET 80 Ca 0.04 0.01 0.20 0.00 -1.81 0.00 0.00 57.70 56.14 1x8d n MET 80 Cb 0.15 -1.51 1.08 0.00 -0.71 0.00 0.00 33.22 32.23 1x8d n MET 80 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1x8d h THR 81 N 0.00 0.20 -0.00 2.03 1.35 -1.28 -2.31 112.91 112.90 1x8d h THR 81 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x8d h THR 81 Cb 0.51 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1x8d h THR 81 CO 0.00 0.00 -0.07 -0.90 -0.25 0.00 0.00 175.52 174.30 1x8d n ASP 82 N -3.37 0.51 0.00 5.36 5.75 -1.26 -3.77 116.55 119.77 1x8d n ASP 82 Ca -0.03 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1x8d n ASP 82 Cb 0.11 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1x8d n ASP 82 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1x8d n VAL 83 N -0.82 0.00 -3.55 2.12 0.24 -0.88 -5.01 118.33 110.43 1x8d n VAL 83 Ca 0.17 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.34 61.89 1x8d n VAL 83 Cb 0.26 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1x8d n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x8d s MET 84 N -0.15 1.06 0.17 7.34 0.23 -1.15 -1.10 119.30 125.71 1x8d s MET 84 Ca 0.00 -0.15 -0.32 0.00 -1.03 0.00 0.00 55.69 54.19 1x8d s MET 84 Cb 0.00 0.49 -0.10 0.00 -1.53 0.00 0.00 34.83 33.69 1x8d s MET 84 CO 0.00 -0.38 1.59 -2.14 -2.03 0.00 0.00 175.02 172.06 1x8d s PRO 85 N -2.29 4.20 0.16 3.16 0.02 -1.26 -4.59 135.00 134.39 1x8d s PRO 85 Ca -0.06 2.40 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1x8d s PRO 85 Cb -0.01 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1x8d s PRO 85 CO -0.00 -0.63 -0.06 0.00 -0.33 0.00 0.00 177.00 175.97 1x8d s ALA 86 N 1.13 1.43 0.85 -1.55 0.00 -1.26 -1.88 121.76 120.47 1x8d s ALA 86 Ca 0.71 -1.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1x8d s ALA 86 Cb -0.45 0.21 0.10 0.00 0.00 0.00 0.00 23.12 22.99 1x8d s ALA 86 CO 0.31 -0.18 1.18 -0.80 0.00 0.00 0.00 175.76 176.28 1x8d s ASN 87 N -3.17 4.15 0.41 0.00 -0.87 0.29 -4.77 114.94 110.97 1x8d s ASN 87 Ca 0.19 0.77 0.11 0.00 -1.57 0.00 0.00 52.86 52.36 1x8d s ASN 87 Cb 0.04 -1.23 0.93 0.00 -0.02 0.00 0.00 41.25 40.98 1x8d s ASN 87 CO 0.02 -2.13 1.97 -0.65 -2.57 0.00 0.00 177.10 173.74 1x8d h PRO 88 N -1.21 0.51 -0.01 -0.60 0.11 -2.02 0.25 132.00 129.02 1x8d h PRO 88 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x8d h PRO 88 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1x8d h PRO 88 CO 0.62 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 1x8d n ASP 89 N -4.48 0.07 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.63 1x8d n ASP 89 Ca 0.10 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1x8d n ASP 89 Cb 0.32 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1x8d n ASP 89 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1x8d n ASN 90 N -0.49 0.00 -4.77 -1.12 3.02 0.08 -4.96 115.26 107.02 1x8d n ASN 90 Ca 0.02 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.17 1x8d n ASN 90 Cb 0.02 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1x8d n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x8d s SER 91 N -3.81 6.54 0.50 6.41 1.04 -1.26 -4.56 113.70 118.56 1x8d s SER 91 Ca 0.00 2.67 -0.22 0.00 0.48 0.00 0.00 55.95 58.88 1x8d s SER 91 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1x8d s SER 91 CO 0.00 -0.69 1.22 -2.16 0.98 0.00 0.00 173.24 172.58 1x8d s PRO 92 N -2.03 3.52 0.03 4.02 0.04 -1.26 0.10 135.00 139.42 1x8d s PRO 92 Ca 0.53 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1x8d s PRO 92 Cb -0.39 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 1x8d s PRO 92 CO 0.51 -0.78 1.71 0.08 0.04 0.00 0.00 177.00 178.55 1x8d s VAL 93 N -1.50 3.19 -0.02 -0.36 1.01 -0.79 -4.69 120.40 117.24 1x8d s VAL 93 Ca 0.67 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.97 1x8d s VAL 93 Cb -0.31 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1x8d s VAL 93 CO 0.37 -0.02 0.32 -0.55 0.00 0.00 0.00 175.10 175.23 1x8d s SER 94 N 3.02 -0.22 -0.00 3.32 0.15 -1.26 -3.82 113.70 114.88 1x8d s SER 94 Ca 0.76 0.16 0.02 0.00 0.70 0.00 0.00 55.95 57.59 1x8d s SER 94 Cb -0.38 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 1x8d s SER 94 CO 0.33 -0.42 -0.07 -0.44 1.20 0.00 0.00 173.24 173.83 1x8d s SER 95 N -1.20 0.83 0.31 5.45 0.01 -0.60 -4.97 113.70 113.55 1x8d s SER 95 Ca -0.12 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.73 1x8d s SER 95 Cb -0.05 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 1x8d s SER 95 CO 0.04 0.08 0.97 -0.70 0.41 0.00 0.00 173.24 174.04 1x8d s GLU 96 N -0.20 4.58 0.16 12.44 2.12 -1.26 -0.46 118.70 136.08 1x8d s GLU 96 Ca 0.02 1.43 0.04 0.00 0.36 0.00 0.00 54.97 56.82 1x8d s GLU 96 Cb -0.03 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 1x8d s GLU 96 CO -0.00 0.26 0.19 -0.51 -0.54 0.00 0.00 175.26 174.66 1x8d s LEU 97 N -1.92 4.01 -0.23 2.70 1.43 0.36 -4.87 118.68 120.16 1x8d s LEU 97 Ca 0.49 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1x8d s LEU 97 Cb -0.22 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 1x8d s LEU 97 CO 0.27 0.06 0.08 -1.58 0.23 0.00 0.00 176.35 175.42 1x8d s GLN 98 N -3.14 3.76 -0.02 1.70 0.74 -1.26 -4.59 119.66 116.86 1x8d s GLN 98 Ca 0.32 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 1x8d s GLN 98 Cb -0.10 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 1x8d s GLN 98 CO 0.25 -0.07 1.56 -2.00 -0.55 0.00 0.00 175.29 174.48 1x8d s GLU 99 N 1.32 4.22 0.00 1.67 2.12 -1.26 -4.87 118.70 121.89 1x8d s GLU 99 Ca 0.05 2.13 0.05 0.00 0.36 0.00 0.00 54.97 57.56 1x8d s GLU 99 Cb -0.15 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1x8d s GLU 99 CO 0.04 -0.74 0.34 1.33 -0.54 0.00 0.00 175.26 175.69 1x8d n VAL 100 N 5.07 0.00 -3.67 3.70 0.24 -1.26 -5.02 118.33 117.39 1x8d n VAL 100 Ca 0.16 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1x8d n VAL 100 Cb 0.43 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 1x8d n VAL 100 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1x8d s PHE 101 N -1.21 -0.59 -0.30 6.34 5.36 -1.26 -5.15 117.98 121.17 1x8d s PHE 101 Ca 0.03 1.39 -0.05 0.00 -0.96 0.00 0.00 56.93 57.34 1x8d s PHE 101 Cb 0.04 0.22 0.16 0.00 -0.34 0.00 0.00 43.02 43.10 1x8d s PHE 101 CO 0.17 -0.33 0.61 -0.47 -1.46 0.00 0.00 175.22 173.75 1x8d s TYR 102 N 0.06 -1.47 -0.29 10.12 6.14 -1.26 -5.12 117.35 125.53 1x8d s TYR 102 Ca -0.02 1.96 0.03 0.00 0.64 0.00 0.00 57.07 59.69 1x8d s TYR 102 Cb -0.04 0.66 0.07 0.00 0.42 0.00 0.00 41.96 43.08 1x8d s TYR 102 CO 0.02 -0.78 -0.05 -1.17 0.64 0.00 0.00 175.55 174.21 1x8d s LEU 103 N 2.87 3.85 0.00 6.97 2.96 -1.26 -5.31 118.68 128.76 1x8d s LEU 103 Ca 0.09 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.34 1x8d s LEU 103 Cb -0.14 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1x8d s LEU 103 CO -0.20 -0.26 0.34 -2.65 -1.32 0.00 0.00 176.35 172.26