#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 4.92 -0.14 2.02 1.09 -0.87 -4.92 121.20 123.29 1x8d s ILE 2 Ca 0.00 1.40 -0.23 0.00 -1.10 0.00 0.00 60.65 60.72 1x8d s ILE 2 Cb 0.00 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1x8d s ILE 2 CO 0.00 0.00 0.70 -0.13 -0.10 0.00 0.00 174.94 175.41 1x8d s ARG 3 N 2.46 4.31 -0.03 2.79 0.52 -1.26 -1.53 118.95 126.21 1x8d s ARG 3 Ca 0.32 0.80 0.05 0.00 -0.52 0.00 0.00 55.73 56.38 1x8d s ARG 3 Cb -0.16 -3.53 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 1x8d s ARG 3 CO 0.09 -0.15 -0.17 0.15 0.02 0.00 0.00 175.30 175.24 1x8d s LYS 4 N 1.55 1.65 0.01 3.54 1.02 -0.19 -5.02 119.74 122.30 1x8d s LYS 4 Ca 0.34 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.73 1x8d s LYS 4 Cb -0.17 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1x8d s LYS 4 CO 0.13 0.29 -0.06 0.00 -0.92 0.00 0.00 175.35 174.79 1x8d s ALA 5 N -0.13 0.52 0.18 5.17 0.00 -1.26 -0.32 121.76 125.92 1x8d s ALA 5 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 1x8d s ALA 5 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1x8d s ALA 5 CO 0.01 0.09 0.38 -0.59 0.00 0.00 0.00 175.76 175.65 1x8d s PHE 6 N -0.45 0.24 -0.02 0.00 -0.71 -0.36 -0.95 117.98 115.74 1x8d s PHE 6 Ca -0.01 -0.60 0.05 0.00 -1.04 0.00 0.00 56.93 55.34 1x8d s PHE 6 Cb -0.04 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1x8d s PHE 6 CO -0.00 -0.82 -0.17 0.54 -1.34 0.00 0.00 175.22 173.44 1x8d s VAL 7 N -3.95 1.34 0.41 -2.49 0.11 -0.10 -0.36 120.40 115.36 1x8d s VAL 7 Ca 0.16 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1x8d s VAL 7 Cb 0.01 -1.13 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1x8d s VAL 7 CO 0.00 0.38 0.08 0.23 -3.33 0.00 0.00 175.10 172.47 1x8d n MET 8 N 2.81 0.72 -4.52 1.54 2.81 0.08 -1.58 117.12 118.98 1x8d n MET 8 Ca -0.16 -3.26 -0.25 0.00 -1.81 0.00 0.00 57.70 52.23 1x8d n MET 8 Cb 0.54 1.39 -0.11 0.00 -0.71 0.00 0.00 33.22 34.34 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 -3.53 1.76 0.01 0.03 -0.21 -1.25 -0.84 119.66 115.63 1x8d s GLN 9 Ca 0.11 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.57 1x8d s GLN 9 Cb 0.01 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.48 1x8d s GLN 9 CO 0.08 0.08 -0.02 0.54 -2.12 0.00 0.00 175.29 173.85 1x8d s VAL 10 N -2.75 0.09 0.40 1.09 0.11 -0.83 -4.31 120.40 114.19 1x8d s VAL 10 Ca 0.32 -0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 58.48 1x8d s VAL 10 Cb 0.04 -0.19 -0.10 0.00 -1.53 0.00 0.00 36.38 34.60 1x8d s VAL 10 CO 0.15 -0.34 1.45 0.59 -3.33 0.00 0.00 175.10 173.63 1x8d n ASN 11 N 2.07 3.55 0.23 3.54 5.03 0.02 -4.80 115.26 124.90 1x8d n ASN 11 Ca -0.20 1.19 0.08 0.00 0.87 0.00 0.00 54.58 56.52 1x8d n ASN 11 Cb 0.57 -1.60 0.63 0.00 -1.02 0.00 0.00 39.78 38.35 1x8d n ASN 11 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1x8d h PRO 12 N 2.70 0.03 -0.61 3.52 0.13 -1.95 -2.29 132.00 133.53 1x8d h PRO 12 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1x8d h PRO 12 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x8d h PRO 12 CO 0.63 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1x8d n ASP 13 N -4.53 3.58 -0.44 1.44 5.75 -1.26 -4.32 116.55 116.77 1x8d n ASP 13 Ca -0.02 -2.21 0.07 0.00 -0.01 0.00 0.00 54.79 52.62 1x8d n ASP 13 Cb 0.12 -0.46 0.14 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 1.01 2.76 0.05 2.12 0.00 -0.86 -4.81 120.51 120.78 1x8d n ALA 14 Ca 0.20 -2.67 -0.12 0.00 0.00 0.00 0.00 53.44 50.84 1x8d n ALA 14 Cb 0.63 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 0.46 -0.04 -0.19 0.00 3.86 -1.75 0.90 115.15 118.38 1x8d h HIS 15 Ca -0.02 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1x8d h HIS 15 Cb 1.13 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1x8d h HIS 15 CO 0.31 0.02 0.06 1.49 0.86 0.00 0.00 177.93 180.66 1x8d h GLU 16 N -0.09 0.29 -0.63 2.45 4.81 -1.95 -2.57 114.58 116.90 1x8d h GLU 16 Ca -0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1x8d h GLU 16 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1x8d h GLU 16 CO 0.01 0.41 0.23 1.49 -0.73 0.00 0.00 179.01 180.41 1x8d h GLU 17 N 0.13 0.94 -0.27 1.92 4.57 -1.87 -0.87 114.58 119.13 1x8d h GLU 17 Ca 0.06 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1x8d h GLU 17 Cb 0.24 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1x8d h GLU 17 CO -0.00 0.79 0.13 -0.92 -1.18 0.00 0.00 179.01 177.82 1x8d h TYR 18 N 0.92 0.39 -0.45 0.92 5.03 -0.77 -2.05 116.97 120.96 1x8d h TYR 18 Ca 0.21 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 1x8d h TYR 18 Cb 0.22 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 1x8d h TYR 18 CO 0.02 0.37 0.15 0.37 -1.32 0.00 0.00 178.16 177.74 1x8d h GLN 19 N 0.30 0.70 -0.73 1.82 4.15 -1.13 -2.87 115.11 117.34 1x8d h GLN 19 Ca 0.09 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.40 1x8d h GLN 19 Cb 0.13 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1x8d h GLN 19 CO -0.01 0.66 0.48 -0.09 -1.93 0.00 0.00 178.83 177.95 1x8d h ARG 20 N 0.59 0.86 0.00 1.69 9.65 -1.04 -1.68 114.38 124.45 1x8d h ARG 20 Ca 0.15 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1x8d h ARG 20 Cb 0.25 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1x8d h ARG 20 CO -0.01 0.57 0.00 0.00 2.80 0.00 0.00 179.97 183.33 1x8d h ARG 21 N 0.88 0.00 -0.55 0.20 3.08 -1.13 -2.42 114.38 114.44 1x8d h ARG 21 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1x8d h ARG 21 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1x8d h ARG 21 CO -0.09 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.53 1x8d n HIS 22 N -2.30 0.83 -3.46 3.04 8.25 -0.64 -3.94 115.22 117.01 1x8d n HIS 22 Ca 0.01 -0.53 -0.27 0.00 -0.26 0.00 0.00 57.72 56.67 1x8d n HIS 22 Cb 0.17 -0.05 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 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 1.04 0.43 -4.94 0.41 3.02 -0.91 -3.56 115.26 110.76 1x8d n ASN 23 Ca 0.19 -2.62 -0.19 0.00 -0.03 0.00 0.00 54.58 51.94 1x8d n ASN 23 Cb 0.59 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.50 2.71 0.85 3.52 0.04 -1.26 -4.97 135.00 135.39 1x8d s PRO 24 Ca 0.32 -1.36 -0.12 0.00 0.04 0.00 0.00 61.00 59.88 1x8d s PRO 24 Cb 0.05 -2.57 0.10 0.00 0.04 0.00 0.00 34.50 32.12 1x8d s PRO 24 CO -0.17 -0.18 1.16 0.96 0.04 0.00 0.00 177.00 178.81 1x8d s ILE 25 N -2.39 2.00 0.31 0.56 -4.36 -1.23 -4.88 121.20 111.21 1x8d s ILE 25 Ca 0.50 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.60 1x8d s ILE 25 Cb -0.07 -2.91 -0.12 0.00 1.25 0.00 0.00 42.46 40.62 1x8d s ILE 25 CO 0.30 0.00 1.50 0.79 0.24 0.00 0.00 174.94 177.77 1x8d n TRP 26 N -3.49 2.70 0.05 1.37 8.01 -1.26 -4.86 117.44 119.96 1x8d n TRP 26 Ca 0.07 0.37 0.06 0.00 -1.31 0.00 0.00 57.50 56.69 1x8d n TRP 26 Cb 0.60 -2.54 0.48 0.00 -2.01 0.00 0.00 31.31 27.85 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 3.98 0.41 0.00 -0.99 0.11 -2.00 -1.11 132.00 132.40 1x8d h PRO 27 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1x8d h PRO 27 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1x8d h PRO 27 CO 0.73 0.27 -0.27 1.05 -0.21 0.00 0.00 178.00 179.57 1x8d h GLU 28 N 0.42 0.00 0.07 1.05 4.11 -1.99 -1.77 114.58 116.46 1x8d h GLU 28 Ca 0.13 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.28 1x8d h GLU 28 Cb 0.01 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1x8d h GLU 28 CO -0.03 0.27 -1.13 1.25 0.07 0.00 0.00 179.01 179.44 1x8d h LEU 29 N 0.00 0.88 -0.44 3.06 5.85 -1.60 -2.42 115.31 120.64 1x8d h LEU 29 Ca -0.00 -0.79 0.01 0.00 0.84 0.00 0.00 57.88 57.94 1x8d h LEU 29 Cb 0.89 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1x8d h LEU 29 CO 0.04 1.56 0.27 -0.08 -0.34 0.00 0.00 178.44 179.89 1x8d h GLU 30 N 0.29 0.53 -0.43 1.25 4.81 -1.12 0.82 114.58 120.73 1x8d h GLU 30 Ca -0.16 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1x8d h GLU 30 Cb 1.80 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 31.02 1x8d h GLU 30 CO 0.22 0.35 0.18 0.00 -0.73 0.00 0.00 179.01 179.03 1x8d h ALA 31 N 1.18 0.52 -0.55 2.92 0.00 -1.35 -0.67 119.26 121.31 1x8d h ALA 31 Ca 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1x8d h ALA 31 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1x8d h ALA 31 CO -0.06 -0.19 0.08 0.28 0.00 0.00 0.00 179.25 179.35 1x8d h VAL 32 N 0.37 1.26 -0.58 0.00 2.07 -0.88 0.78 116.25 119.27 1x8d h VAL 32 Ca 0.19 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1x8d h VAL 32 Cb 0.14 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1x8d h VAL 32 CO -0.17 0.36 0.35 -0.07 0.02 0.00 0.00 177.57 178.05 1x8d h LEU 33 N 0.80 0.70 -0.32 2.57 3.38 -0.41 -1.06 115.31 120.97 1x8d h LEU 33 Ca 0.17 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1x8d h LEU 33 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x8d h LEU 33 CO 0.01 0.56 -0.23 0.11 0.09 0.00 0.00 178.44 178.97 1x8d h LYS 34 N 0.78 0.72 -0.62 1.13 1.79 -0.99 -2.44 116.57 116.94 1x8d h LYS 34 Ca 0.21 -0.35 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1x8d h LYS 34 Cb -0.01 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1x8d h LYS 34 CO -0.04 0.96 0.41 0.77 -1.08 0.00 0.00 179.45 180.48 1x8d h SER 35 N 0.49 0.67 -0.18 0.86 0.02 -0.61 -1.72 113.55 113.08 1x8d h SER 35 Ca 0.06 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1x8d h SER 35 Cb 0.79 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1x8d h SER 35 CO 0.06 0.47 0.00 1.41 -1.14 0.00 0.00 176.83 177.64 1x8d n HIS 36 N -4.45 0.63 -1.46 3.45 8.25 -0.42 -4.91 115.22 116.30 1x8d n HIS 36 Ca 0.07 -0.22 -0.01 0.00 -0.26 0.00 0.00 57.72 57.30 1x8d n HIS 36 Cb 0.09 -0.22 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 0.22 0.40 3.83 -1.41 0.00 -0.65 -3.93 105.19 103.65 1x8d n GLY 37 Ca 0.08 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.05 3.57 0.00 4.61 0.00 -0.93 -1.72 121.76 125.25 1x8d s ALA 38 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1x8d s ALA 38 Cb 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 1x8d s ALA 38 CO 0.00 0.42 -0.00 -1.01 0.00 0.00 0.00 175.76 175.17 1x8d s HIS 39 N -1.31 0.05 -1.29 0.00 0.09 0.23 -4.66 115.29 108.40 1x8d s HIS 39 Ca 0.34 -0.09 -0.09 0.00 -0.00 0.00 0.00 55.06 55.21 1x8d s HIS 39 Cb -0.17 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.58 32.37 1x8d s HIS 39 CO 0.19 -0.04 0.59 0.09 -0.00 0.00 0.00 174.74 175.57 1x8d n ASN 40 N 2.78 -2.43 -4.62 1.40 5.03 -1.26 -0.98 115.26 115.18 1x8d n ASN 40 Ca -0.14 -1.01 -0.43 0.00 0.87 0.00 0.00 54.58 53.87 1x8d n ASN 40 Cb 0.59 -3.20 -0.02 0.00 -1.02 0.00 0.00 39.78 36.13 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 -3.73 3.07 -0.01 3.10 6.14 -1.26 -4.26 117.35 120.40 1x8d s TYR 41 Ca 0.20 1.02 0.04 0.00 0.64 0.00 0.00 57.07 58.97 1x8d s TYR 41 Cb -0.08 -3.83 -0.01 0.00 0.42 0.00 0.00 41.96 38.46 1x8d s TYR 41 CO 0.88 -0.88 -0.13 0.00 0.64 0.00 0.00 175.55 176.05 1x8d s ALA 42 N 3.77 1.12 -0.06 3.97 0.00 0.77 -5.00 121.76 126.33 1x8d s ALA 42 Ca 0.44 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1x8d s ALA 42 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1x8d s ALA 42 CO 0.19 0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.51 1x8d s ILE 43 N -0.36 1.16 -0.03 0.00 1.01 -1.26 -0.43 121.20 121.28 1x8d s ILE 43 Ca 0.05 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1x8d s ILE 43 Cb -0.05 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1x8d s ILE 43 CO -0.00 0.36 -0.25 -0.31 0.00 0.00 0.00 174.94 174.73 1x8d s TYR 44 N 0.57 2.37 -0.17 3.97 1.51 0.16 -4.94 117.35 120.82 1x8d s TYR 44 Ca -0.13 -0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 55.28 1x8d s TYR 44 Cb -0.15 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1x8d s TYR 44 CO 0.03 -0.09 0.27 -1.17 -1.11 0.00 0.00 175.55 173.48 1x8d s LEU 45 N -0.48 4.24 -0.65 -1.29 2.96 -1.26 0.41 118.68 122.61 1x8d s LEU 45 Ca 0.06 0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 54.29 1x8d s LEU 45 Cb -0.11 -2.33 0.17 0.00 0.50 0.00 0.00 46.19 44.42 1x8d s LEU 45 CO 0.00 0.11 0.59 -0.62 -1.32 0.00 0.00 176.35 175.12 1x8d s ASP 46 N 0.45 6.36 0.23 3.68 -1.08 0.20 -4.95 116.67 121.57 1x8d s ASP 46 Ca 0.15 -2.19 -0.07 0.00 -0.52 0.00 0.00 52.55 49.92 1x8d s ASP 46 Cb -0.13 -2.19 0.22 0.00 -1.46 0.00 0.00 42.92 39.37 1x8d s ASP 46 CO 0.03 -0.72 1.90 0.11 0.52 0.00 0.00 175.17 177.01 1x8d h LYS 47 N 8.36 1.22 0.00 4.34 1.57 -1.96 -1.00 116.57 129.10 1x8d h LYS 47 Ca -0.12 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1x8d h LYS 47 Cb 1.07 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1x8d h LYS 47 CO 0.90 0.83 -0.24 0.00 -0.57 0.00 0.00 179.45 180.38 1x8d h ALA 48 N 1.32 1.54 -0.09 3.86 0.00 -1.96 -3.20 119.26 120.73 1x8d h ALA 48 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x8d h ALA 48 Cb -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1x8d h ALA 48 CO -0.07 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1x8d n ARG 49 N -4.16 1.12 -3.76 0.00 1.74 -1.09 -4.99 116.66 105.52 1x8d n ARG 49 Ca -0.02 -1.40 -0.27 0.00 -0.77 0.00 0.00 57.85 55.39 1x8d n ARG 49 Cb 0.30 -1.25 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.67 -4.90 -4.49 0.55 3.02 -0.42 -4.95 115.26 104.74 1x8d n ASN 50 Ca 0.08 -0.69 -0.29 0.00 -0.03 0.00 0.00 54.58 53.65 1x8d n ASN 50 Cb 0.33 -4.36 -0.11 0.00 -0.61 0.00 0.00 39.78 35.03 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 -7.20 2.71 -0.19 3.41 1.43 -0.97 -1.97 118.68 115.91 1x8d s LEU 51 Ca 0.55 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1x8d s LEU 51 Cb -0.26 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1x8d s LEU 51 CO 0.79 0.17 -0.15 -0.76 0.23 0.00 0.00 176.35 176.63 1x8d s LEU 52 N -2.24 2.24 -0.35 1.79 1.43 -0.02 0.62 118.68 122.15 1x8d s LEU 52 Ca 0.19 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1x8d s LEU 52 Cb -0.10 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1x8d s LEU 52 CO 0.11 -0.08 0.33 0.12 0.23 0.00 0.00 176.35 177.05 1x8d s PHE 53 N 1.34 3.22 -0.00 0.29 5.36 0.17 -0.74 117.98 127.61 1x8d s PHE 53 Ca 0.01 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 55.93 1x8d s PHE 53 Cb -0.15 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.89 1x8d s PHE 53 CO -0.10 -0.42 -0.14 0.00 -1.46 0.00 0.00 175.22 173.10 1x8d s ALA 54 N 1.92 2.72 -0.02 11.12 0.00 0.51 0.37 121.76 138.38 1x8d s ALA 54 Ca 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1x8d s ALA 54 Cb -0.17 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1x8d s ALA 54 CO 0.11 0.58 -0.05 1.41 0.00 0.00 0.00 175.76 177.81 1x8d s MET 55 N -1.18 0.64 -0.19 0.00 1.75 0.43 -1.22 119.30 119.54 1x8d s MET 55 Ca 0.14 -0.16 -0.15 0.00 -1.25 0.00 0.00 55.69 54.26 1x8d s MET 55 Cb -0.11 -0.65 0.05 0.00 2.84 0.00 0.00 34.83 36.97 1x8d s MET 55 CO 0.04 0.03 0.50 0.54 -0.65 0.00 0.00 175.02 175.48 1x8d s VAL 56 N 0.36 -0.01 -0.19 10.11 0.11 0.57 -0.16 120.40 131.19 1x8d s VAL 56 Ca -0.04 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 1x8d s VAL 56 Cb -0.08 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1x8d s VAL 56 CO -0.00 0.01 0.21 -1.61 -3.33 0.00 0.00 175.10 170.38 1x8d s GLU 57 N 0.64 4.20 0.14 1.54 2.02 -0.15 -1.02 118.70 126.07 1x8d s GLU 57 Ca -0.03 -0.08 0.07 0.00 0.02 0.00 0.00 54.97 54.95 1x8d s GLU 57 Cb -0.05 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1x8d s GLU 57 CO -0.04 0.23 -0.17 0.96 0.02 0.00 0.00 175.26 176.27 1x8d s ILE 58 N 0.52 1.57 0.04 -1.63 -0.00 -0.59 0.78 121.20 121.89 1x8d s ILE 58 Ca 0.12 -1.76 0.03 0.00 -0.00 0.00 0.00 60.65 59.03 1x8d s ILE 58 Cb -0.12 -1.64 -0.25 0.00 -0.00 0.00 0.00 42.46 40.45 1x8d s ILE 58 CO 0.01 -0.32 0.97 -0.33 -0.00 0.00 0.00 174.94 175.27 1x8d h GLU 59 N 3.51 0.13 -3.53 0.37 5.08 -1.63 -2.30 114.58 116.20 1x8d h GLU 59 Ca -0.42 -0.22 -0.28 0.00 -1.00 0.00 0.00 59.36 57.44 1x8d h GLU 59 Cb 1.20 0.08 -0.33 0.00 0.50 0.00 0.00 28.75 30.20 1x8d h GLU 59 CO 0.49 0.97 -0.72 0.45 -1.00 0.00 0.00 179.01 179.21 1x8d s SER 60 N -6.75 0.05 0.09 1.42 0.15 -1.26 -4.84 113.70 102.55 1x8d s SER 60 Ca -0.05 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 1x8d s SER 60 Cb 0.08 -0.04 -0.12 0.00 -1.71 0.00 0.00 66.02 64.23 1x8d s SER 60 CO 0.84 -0.11 1.71 -0.33 1.20 0.00 0.00 173.24 176.55 1x8d h GLU 61 N 7.10 0.12 -0.56 5.44 4.39 -1.97 -1.58 114.58 127.52 1x8d h GLU 61 Ca -0.42 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 1x8d h GLU 61 Cb 1.14 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1x8d h GLU 61 CO 0.48 0.13 0.29 1.49 -1.16 0.00 0.00 179.01 180.24 1x8d h GLU 62 N 0.07 0.80 -0.45 2.33 4.81 -1.98 -1.02 114.58 119.14 1x8d h GLU 62 Ca 0.03 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1x8d h GLU 62 Cb 0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1x8d h GLU 62 CO -0.01 0.63 0.13 0.00 -0.73 0.00 0.00 179.01 179.04 1x8d h ARG 63 N 0.76 0.71 -0.47 1.92 3.08 -1.85 -0.57 114.38 117.95 1x8d h ARG 63 Ca 0.20 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1x8d h ARG 63 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1x8d h ARG 63 CO -0.03 0.69 0.30 2.35 -1.07 0.00 0.00 179.97 182.21 1x8d h TRP 64 N 0.59 0.57 0.00 3.04 2.91 -1.13 -1.54 115.95 120.39 1x8d h TRP 64 Ca 0.14 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 1x8d h TRP 64 Cb 0.28 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1x8d h TRP 64 CO 0.01 0.35 -0.08 -0.91 -1.03 0.00 0.00 178.44 176.78 1x8d h ASN 65 N 0.61 0.00 0.74 2.65 4.21 -0.88 -2.35 115.58 120.56 1x8d h ASN 65 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1x8d h ASN 65 Cb -0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1x8d h ASN 65 CO -0.05 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 1x8d n ALA 66 N -2.50 1.72 -0.12 -0.83 0.00 -0.25 -3.19 120.51 115.34 1x8d n ALA 66 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1x8d n ALA 66 Cb 0.16 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.57 1x8d n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x8d h VAL 67 N 0.00 1.16 0.00 0.00 2.07 -1.36 -1.42 116.25 116.70 1x8d h VAL 67 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1x8d h VAL 67 Cb 0.37 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1x8d h VAL 67 CO 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.73 1x8d h ALA 68 N 1.62 1.17 0.00 1.67 0.00 -1.77 -1.85 119.26 120.10 1x8d h ALA 68 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x8d h ALA 68 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1x8d h ALA 68 CO -0.05 0.02 -0.21 0.77 0.00 0.00 0.00 179.25 179.78 1x8d h SER 69 N 0.00 0.00 -4.04 0.00 0.02 -1.48 -3.42 113.55 104.64 1x8d h SER 69 Ca -0.00 -0.04 -0.47 0.00 -0.84 0.00 0.00 61.79 60.45 1x8d h SER 69 Cb 0.07 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.63 1x8d h SER 69 CO 0.00 0.02 0.38 0.42 -1.14 0.00 0.00 176.83 176.51 1x8d s THR 70 N -3.17 3.93 0.12 -2.27 -4.23 -0.70 -4.97 115.64 104.35 1x8d s THR 70 Ca 0.08 1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 61.68 1x8d s THR 70 Cb 0.10 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 1x8d s THR 70 CO 0.66 -0.19 1.72 -0.78 -0.54 0.00 0.00 174.62 175.49 1x8d h ASP 71 N 1.91 0.38 -0.84 3.99 3.58 -1.90 -1.95 116.42 121.60 1x8d h ASP 71 Ca -0.49 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 56.86 1x8d h ASP 71 Cb 1.21 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 1x8d h ASP 71 CO 0.60 0.37 0.51 1.62 -2.88 0.00 0.00 179.24 179.47 1x8d h VAL 72 N 0.37 1.23 -0.30 2.25 3.04 -1.93 0.15 116.25 121.06 1x8d h VAL 72 Ca 0.11 -0.50 -0.10 0.00 -1.01 0.00 0.00 66.70 65.20 1x8d h VAL 72 Cb 0.07 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.38 1x8d h VAL 72 CO -0.02 0.24 -0.23 0.00 -1.01 0.00 0.00 177.57 176.55 1x8d h GLN 74 N 0.50 0.34 0.00 0.00 4.20 -0.49 0.39 115.11 120.05 1x8d h GLN 74 Ca 0.07 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1x8d h GLN 74 Cb 0.67 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1x8d h GLN 74 CO 0.05 0.48 -0.39 0.00 -0.67 0.00 0.00 178.83 178.30 1x8d h ARG 75 N 0.15 0.00 0.06 1.46 3.08 -0.58 -0.96 114.38 117.60 1x8d h ARG 75 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1x8d h ARG 75 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1x8d h ARG 75 CO 0.00 0.39 -0.03 2.35 -1.07 0.00 0.00 179.97 181.62 1x8d h TRP 76 N 0.00 -0.08 -0.54 3.04 2.91 -0.42 -0.51 115.95 120.36 1x8d h TRP 76 Ca -0.00 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1x8d h TRP 76 Cb 0.86 0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.52 1x8d h TRP 76 CO 0.00 0.19 0.23 -1.49 -1.03 0.00 0.00 178.44 176.34 1x8d h TRP 77 N -0.35 0.76 -0.13 2.65 6.55 -0.78 0.11 115.95 124.77 1x8d h TRP 77 Ca -0.01 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.79 1x8d h TRP 77 Cb 0.31 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 28.37 1x8d h TRP 77 CO 0.01 0.58 0.04 -0.22 -1.05 0.00 0.00 178.44 177.81 1x8d h LYS 78 N 0.76 0.20 -0.80 0.49 3.64 -1.07 -2.54 116.57 117.25 1x8d h LYS 78 Ca 0.18 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1x8d h LYS 78 Cb 0.13 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1x8d h LYS 78 CO -0.02 0.33 0.46 -0.92 -2.27 0.00 0.00 179.45 177.03 1x8d h TYR 79 N 0.03 0.84 0.00 1.91 3.20 -0.32 -2.57 116.97 120.06 1x8d h TYR 79 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1x8d h TYR 79 Cb 0.21 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1x8d h TYR 79 CO -0.00 0.37 0.00 -1.33 -1.64 0.00 0.00 178.16 175.56 1x8d n MET 80 N -4.73 0.03 0.32 1.82 2.81 0.33 -3.57 117.12 114.13 1x8d n MET 80 Ca 0.12 0.16 0.22 0.00 -1.81 0.00 0.00 57.70 56.39 1x8d n MET 80 Cb 0.24 -1.54 1.09 0.00 -0.71 0.00 0.00 33.22 32.30 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 0.00 0.00 2.03 1.35 -1.04 -1.75 112.91 113.50 1x8d h THR 81 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1x8d h THR 81 Cb 0.38 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1x8d h THR 81 CO 0.00 0.00 -0.02 -0.90 -0.25 0.00 0.00 175.52 174.35 1x8d n ASP 82 N -3.09 0.10 -0.08 5.36 5.68 -1.23 -3.71 116.55 119.58 1x8d n ASP 82 Ca -0.02 0.49 0.02 0.00 -0.50 0.00 0.00 54.79 54.78 1x8d n ASP 82 Cb 0.13 -0.51 -0.01 0.00 -1.14 0.00 0.00 41.12 39.60 1x8d n ASP 82 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1x8d n VAL 83 N -1.58 0.00 -3.63 2.12 0.24 -0.68 -5.01 118.33 109.79 1x8d n VAL 83 Ca 0.07 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 1x8d n VAL 83 Cb 0.35 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.96 0.95 0.35 7.34 0.23 -1.05 -0.80 119.30 125.36 1x8d s MET 84 Ca 0.03 -0.25 -0.29 0.00 -1.03 0.00 0.00 55.69 54.16 1x8d s MET 84 Cb 0.03 0.43 -0.11 0.00 -1.53 0.00 0.00 34.83 33.65 1x8d s MET 84 CO 0.12 -0.33 1.53 -2.14 -2.03 0.00 0.00 175.02 172.17 1x8d s PRO 85 N -2.24 4.10 0.06 3.16 0.02 -1.26 -4.55 135.00 134.29 1x8d s PRO 85 Ca -0.07 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.57 1x8d s PRO 85 Cb -0.01 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 1x8d s PRO 85 CO -0.00 -0.58 -0.07 0.00 -0.33 0.00 0.00 177.00 176.01 1x8d s ALA 86 N -0.75 0.72 0.83 -1.55 0.00 -1.26 -1.91 121.76 117.84 1x8d s ALA 86 Ca 0.56 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1x8d s ALA 86 Cb -0.47 0.09 0.09 0.00 0.00 0.00 0.00 23.12 22.83 1x8d s ALA 86 CO 0.59 -0.11 1.10 -0.80 0.00 0.00 0.00 175.76 176.54 1x8d s ASN 87 N -2.15 4.22 0.40 0.00 0.02 0.11 -4.77 114.94 112.77 1x8d s ASN 87 Ca -0.02 1.24 0.14 0.00 -1.02 0.00 0.00 52.86 53.21 1x8d s ASN 87 Cb -0.04 -1.94 0.99 0.00 0.02 0.00 0.00 41.25 40.28 1x8d s ASN 87 CO -0.02 -2.14 1.88 -0.65 0.02 0.00 0.00 177.10 176.20 1x8d h PRO 88 N -1.21 0.49 0.00 -0.60 0.11 -2.01 0.10 132.00 128.88 1x8d h PRO 88 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1x8d h PRO 88 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x8d h PRO 88 CO 0.60 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 1x8d n ASP 89 N -4.52 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.60 1x8d n ASP 89 Ca 0.17 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1x8d n ASP 89 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1x8d n ASP 89 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1x8d n ASN 90 N -0.67 0.00 -4.77 -1.12 3.02 0.35 -4.99 115.26 107.09 1x8d n ASN 90 Ca 0.08 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 1x8d n ASN 90 Cb 0.03 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -3.50 6.23 0.53 6.41 1.04 -1.26 -4.51 113.70 118.64 1x8d s SER 91 Ca 0.00 2.38 -0.21 0.00 0.48 0.00 0.00 55.95 58.59 1x8d s SER 91 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1x8d s SER 91 CO 0.00 -0.88 1.25 -2.16 0.98 0.00 0.00 173.24 172.43 1x8d s PRO 92 N -2.55 3.29 0.14 4.02 0.04 -1.26 0.07 135.00 138.75 1x8d s PRO 92 Ca 0.62 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 1x8d s PRO 92 Cb -0.31 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1x8d s PRO 92 CO 0.38 -0.99 1.71 0.08 0.04 0.00 0.00 177.00 178.22 1x8d s VAL 93 N -1.47 2.56 0.05 -0.36 1.01 -0.80 -4.63 120.40 116.76 1x8d s VAL 93 Ca 0.71 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 1x8d s VAL 93 Cb -0.33 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1x8d s VAL 93 CO 0.39 0.01 0.31 -0.55 0.00 0.00 0.00 175.10 175.26 1x8d s SER 94 N 1.96 -0.14 -0.01 3.32 0.15 -1.26 -3.95 113.70 113.77 1x8d s SER 94 Ca 0.75 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1x8d s SER 94 Cb -0.45 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1x8d s SER 94 CO 0.33 -0.63 -0.01 -0.44 1.20 0.00 0.00 173.24 173.69 1x8d s SER 95 N -2.12 0.24 0.05 5.45 0.01 -0.61 -4.97 113.70 111.75 1x8d s SER 95 Ca -0.04 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 1x8d s SER 95 Cb -0.01 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1x8d s SER 95 CO -0.04 -0.03 1.07 -0.70 0.41 0.00 0.00 173.24 173.95 1x8d s GLU 96 N 0.38 4.53 0.30 12.44 2.12 -1.26 -0.93 118.70 136.29 1x8d s GLU 96 Ca -0.03 1.58 -0.02 0.00 0.36 0.00 0.00 54.97 56.86 1x8d s GLU 96 Cb -0.06 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1x8d s GLU 96 CO -0.01 -0.08 0.52 -0.51 -0.54 0.00 0.00 175.26 174.64 1x8d s LEU 97 N 0.76 4.06 -0.23 2.70 1.43 -0.12 -4.94 118.68 122.33 1x8d s LEU 97 Ca 0.53 0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 1x8d s LEU 97 Cb -0.25 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1x8d s LEU 97 CO 0.29 -0.21 0.07 -1.58 0.23 0.00 0.00 176.35 175.15 1x8d s GLN 98 N -3.86 3.73 0.09 1.70 0.74 -1.26 -4.65 119.66 116.15 1x8d s GLN 98 Ca 0.41 -0.45 -0.31 0.00 0.05 0.00 0.00 55.36 55.07 1x8d s GLN 98 Cb -0.10 -3.30 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1x8d s GLN 98 CO 0.33 -0.08 1.48 -2.00 -0.55 0.00 0.00 175.29 174.46 1x8d s GLU 99 N 1.33 4.27 0.00 1.67 2.12 -1.26 -4.87 118.70 121.96 1x8d s GLU 99 Ca 0.05 2.15 0.02 0.00 0.36 0.00 0.00 54.97 57.55 1x8d s GLU 99 Cb -0.15 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1x8d s GLU 99 CO 0.04 -0.56 0.11 1.33 -0.54 0.00 0.00 175.26 175.63 1x8d n VAL 100 N 4.29 0.00 -3.62 3.70 0.24 -1.26 -5.04 118.33 116.63 1x8d n VAL 100 Ca 0.13 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 1x8d n VAL 100 Cb 0.42 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -1.09 -0.72 -0.25 6.34 5.36 -1.26 -5.15 117.98 121.20 1x8d s PHE 101 Ca 0.01 1.71 -0.08 0.00 -0.96 0.00 0.00 56.93 57.61 1x8d s PHE 101 Cb 0.01 0.30 0.12 0.00 -0.34 0.00 0.00 43.02 43.11 1x8d s PHE 101 CO 0.07 -0.38 0.52 -0.47 -1.46 0.00 0.00 175.22 173.50 1x8d s TYR 102 N 0.15 -1.08 -0.31 10.12 6.14 -1.26 -5.12 117.35 125.99 1x8d s TYR 102 Ca -0.01 1.83 0.02 0.00 0.64 0.00 0.00 57.07 59.56 1x8d s TYR 102 Cb -0.04 0.51 0.09 0.00 0.42 0.00 0.00 41.96 42.94 1x8d s TYR 102 CO 0.01 -0.60 0.04 -1.17 0.64 0.00 0.00 175.55 174.47 1x8d s LEU 103 N 2.74 3.66 0.00 6.97 2.96 -1.26 -5.31 118.68 128.45 1x8d s LEU 103 Ca -0.01 -1.83 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 1x8d s LEU 103 Cb -0.12 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.22 1x8d s LEU 103 CO -0.16 -0.36 0.21 -2.65 -1.32 0.00 0.00 176.35 172.07