#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t8d n GLY 2 N 0.00 0.36 2.09 0.46 0.00 -1.26 -5.05 105.19 101.80 1t8d n GLY 2 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1t8d n GLY 2 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t8d n PHE 3 N 0.00 -3.02 -0.77 1.61 -0.00 -1.26 -4.92 117.46 109.10 1t8d n PHE 3 Ca 0.00 0.75 0.01 0.00 -0.00 0.00 0.00 57.45 58.21 1t8d n PHE 3 Cb 0.00 1.89 0.33 0.00 -0.00 0.00 0.00 39.48 41.70 1t8d n PHE 3 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1t8d n VAL 4 N -3.13 2.60 -4.58 -2.13 0.24 -1.26 -5.04 118.33 105.02 1t8d n VAL 4 Ca 0.00 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 1t8d n VAL 4 Cb 0.00 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1t8d n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8d s ASN 6 N -4.00 -1.41 -0.25 0.00 2.47 -1.26 -4.84 114.94 105.65 1t8d s ASN 6 Ca 0.00 -1.10 -0.05 0.00 0.42 0.00 0.00 52.86 52.13 1t8d s ASN 6 Cb 0.00 1.82 -0.07 0.00 -1.45 0.00 0.00 41.25 41.55 1t8d s ASN 6 CO 0.00 -0.11 3.09 1.07 -3.72 0.00 0.00 177.10 177.42 1t8d n THR 7 N 3.77 3.14 -2.94 -5.21 5.66 -1.23 -4.47 114.28 113.00 1t8d n THR 7 Ca 0.13 -2.27 -0.14 0.00 -3.05 0.00 0.00 64.05 58.73 1t8d n THR 7 Cb 0.57 -1.75 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 1t8d n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1t8d h PRO 9 N 4.34 0.00 0.00 0.00 0.13 -1.78 -3.44 132.00 131.24 1t8d h PRO 9 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1t8d h PRO 9 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1t8d h PRO 9 CO 0.32 0.67 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91 1t8d n GLU 10 N -4.55 0.00 0.11 0.86 0.28 -1.26 -4.92 120.64 111.17 1t8d n GLU 10 Ca -0.19 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.67 1t8d n GLU 10 Cb 0.48 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.26 1t8d n GLU 10 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1t8d h LYS 11 N 0.00 -0.65 -4.28 3.44 1.57 -1.93 -3.42 116.57 111.30 1t8d h LYS 11 Ca 0.00 0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.27 1t8d h LYS 11 Cb 0.00 0.15 0.04 0.00 0.08 0.00 0.00 32.23 32.50 1t8d h LYS 11 CO 0.00 -0.43 -0.03 0.91 -0.57 0.00 0.00 179.45 179.33 1t8d n TRP 12 N -5.06 0.33 -4.28 -1.35 8.01 -1.26 -4.60 117.44 109.22 1t8d n TRP 12 Ca -0.08 0.75 -0.24 0.00 -1.31 0.00 0.00 57.50 56.62 1t8d n TRP 12 Cb 0.36 -1.48 -0.17 0.00 -2.01 0.00 0.00 31.31 28.02 1t8d n TRP 12 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1t8d s ILE 13 N -0.12 0.94 0.11 -0.99 1.01 0.26 -4.15 121.20 118.27 1t8d s ILE 13 Ca 0.62 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1t8d s ILE 13 Cb -0.87 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1t8d s ILE 13 CO 0.41 0.33 0.15 0.21 0.00 0.00 0.00 174.94 176.03 1t8d s ASN 14 N 1.06 5.80 0.00 3.58 3.84 -1.26 0.10 114.94 128.06 1t8d s ASN 14 Ca -0.08 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.03 1t8d s ASN 14 Cb -0.14 -1.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.93 1t8d s ASN 14 CO -0.01 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.92 1t8d n PHE 15 N 0.07 0.00 -0.21 0.43 3.72 0.13 -4.96 117.46 116.65 1t8d n PHE 15 Ca -0.08 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.34 1t8d n PHE 15 Cb 0.53 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.18 1t8d n PHE 15 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1t8d h GLN 16 N 0.00 0.13 0.00 -1.08 1.08 -2.04 -3.40 115.11 109.80 1t8d h GLN 16 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1t8d h GLN 16 Cb 0.00 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1t8d h GLN 16 CO 0.00 0.09 0.00 2.89 -0.95 0.00 0.00 178.83 180.86 1t8d n ARG 17 N -5.27 0.00 -4.29 1.46 1.85 -1.26 -5.13 116.66 104.01 1t8d n ARG 17 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.70 1t8d n ARG 17 Cb 0.38 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.70 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1t8d s LYS 18 N 0.00 2.18 0.24 2.89 -2.85 -1.26 -2.44 119.74 118.49 1t8d s LYS 18 Ca 0.00 -1.34 0.06 0.00 -1.00 0.00 0.00 55.97 53.69 1t8d s LYS 18 Cb 0.00 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.55 1t8d s LYS 18 CO 0.00 0.40 -0.07 0.00 0.10 0.00 0.00 175.35 175.78 1t8d s TYR 20 N -3.11 1.84 -0.20 0.00 1.51 0.28 -1.59 117.35 116.08 1t8d s TYR 20 Ca 0.26 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1t8d s TYR 20 Cb 0.03 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1t8d s TYR 20 CO 0.09 0.30 -0.13 0.71 -1.11 0.00 0.00 175.55 175.42 1t8d s TYR 21 N -1.77 2.87 -0.43 2.71 2.02 0.62 -0.57 117.35 122.80 1t8d s TYR 21 Ca 0.13 -1.32 0.09 0.00 -0.37 0.00 0.00 57.07 55.60 1t8d s TYR 21 Cb -0.07 -2.01 0.41 0.00 -0.40 0.00 0.00 41.96 39.89 1t8d s TYR 21 CO 0.06 -0.69 0.99 1.19 -1.57 0.00 0.00 175.55 175.54 1t8d n PHE 22 N 4.70 2.59 -2.49 2.71 3.72 -1.26 -1.57 117.46 125.86 1t8d n PHE 22 Ca -0.20 -3.29 -0.25 0.00 -0.05 0.00 0.00 57.45 53.67 1t8d n PHE 22 Cb 0.50 -0.28 0.13 0.00 -0.94 0.00 0.00 39.48 38.89 1t8d n PHE 22 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1t8d s GLY 23 N -3.29 1.76 0.01 1.37 0.00 -0.56 -4.68 107.32 101.93 1t8d s GLY 23 Ca 0.42 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.51 1t8d s GLY 23 CO -0.11 -1.08 -0.24 -1.59 0.00 0.00 0.00 173.10 170.08 1t8d s LYS 24 N -5.28 1.81 0.00 2.90 -2.85 -1.26 -0.15 119.74 114.91 1t8d s LYS 24 Ca 0.68 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1t8d s LYS 24 Cb -0.04 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 1t8d s LYS 24 CO 0.46 0.49 0.00 0.41 0.10 0.00 0.00 175.35 176.81 1t8d n GLY 25 N 2.21 -0.03 0.00 0.59 0.00 -0.87 -4.81 105.19 102.28 1t8d n GLY 25 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1t8d n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t8d n THR 26 N 0.00 0.00 -0.80 2.61 -2.24 -1.25 -4.77 114.28 107.83 1t8d n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t8d n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1t8d n THR 26 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1t8d n LYS 27 N 0.00 0.00 -3.86 -0.78 4.81 -1.26 -4.81 118.16 112.26 1t8d n LYS 27 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1t8d n LYS 27 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1t8d s GLN 28 N 0.00 2.04 0.01 1.64 -0.21 -1.26 -4.74 119.66 117.14 1t8d s GLN 28 Ca 0.00 -1.33 -0.25 0.00 0.02 0.00 0.00 55.36 53.80 1t8d s GLN 28 Cb 0.00 0.60 -0.19 0.00 1.00 0.00 0.00 33.01 34.42 1t8d s GLN 28 CO 0.00 -0.94 1.42 2.35 -2.12 0.00 0.00 175.29 176.00 1t8d h TRP 29 N 2.02 -0.00 -0.58 0.91 7.01 -1.97 -2.88 115.95 120.46 1t8d h TRP 29 Ca -0.28 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 60.87 1t8d h TRP 29 Cb 1.25 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 1t8d h TRP 29 CO 1.06 0.33 0.41 -0.39 -2.79 0.00 0.00 178.44 177.06 1t8d h VAL 30 N -0.34 0.77 0.00 2.65 -1.51 -1.98 0.36 116.25 116.20 1t8d h VAL 30 Ca -0.00 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 65.33 1t8d h VAL 30 Cb 0.33 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1t8d h VAL 30 CO 0.00 0.02 -0.44 -0.74 -1.23 0.00 0.00 177.57 175.18 1t8d h HIS 31 N 0.13 0.00 -0.03 5.19 2.76 -1.92 -2.32 115.15 118.96 1t8d h HIS 31 Ca 0.28 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1t8d h HIS 31 Cb 0.92 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 1t8d h HIS 31 CO -0.00 0.44 -0.05 0.00 -1.30 0.00 0.00 177.93 177.02 1t8d h ALA 32 N 1.56 0.05 -0.84 5.26 0.00 -0.10 -2.09 119.26 123.09 1t8d h ALA 32 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.89 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1t8d h ALA 32 CO 0.06 -0.14 0.48 0.07 0.00 0.00 0.00 179.25 179.72 1t8d h ARG 33 N -0.42 1.16 -0.49 0.00 -0.00 -1.45 -0.98 114.38 112.20 1t8d h ARG 33 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.98 59.83 1t8d h ARG 33 Cb 0.60 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1t8d h ARG 33 CO 0.01 0.84 0.20 -0.92 -0.00 0.00 0.00 179.97 180.10 1t8d h TYR 34 N 1.17 0.71 -0.36 4.08 5.03 -1.41 -1.06 116.97 125.13 1t8d h TYR 34 Ca 0.30 -0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.48 1t8d h TYR 34 Cb 0.00 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 1t8d h TYR 34 CO 0.01 0.55 -0.17 0.00 -1.32 0.00 0.00 178.16 177.23 1t8d h ALA 35 N 1.52 1.02 -0.20 1.82 0.00 -0.50 -2.71 119.26 120.20 1t8d h ALA 35 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1t8d h ALA 35 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1t8d h ALA 35 CO -0.02 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.89 1t8d h ASP 37 N 0.17 0.75 1.03 0.00 5.19 -1.18 0.58 116.42 122.95 1t8d h ASP 37 Ca 0.09 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1t8d h ASP 37 Cb 0.05 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.42 1t8d h ASP 37 CO -0.09 0.45 -0.11 -0.78 -3.12 0.00 0.00 179.24 175.59 1t8d h ASP 38 N 0.83 0.00 -0.01 6.45 1.82 -1.01 -2.59 116.42 121.92 1t8d h ASP 38 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1t8d h ASP 38 Cb 0.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1t8d h ASP 38 CO -0.15 0.11 -0.66 0.23 -1.61 0.00 0.00 179.24 177.16 1t8d n MET 39 N -3.24 0.79 -2.98 0.28 2.81 0.62 -4.99 117.12 110.41 1t8d n MET 39 Ca 0.01 -0.64 -0.12 0.00 -1.81 0.00 0.00 57.70 55.14 1t8d n MET 39 Cb 0.38 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 31.46 1t8d n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1t8d n GLU 40 N -0.55 -4.46 0.00 0.03 -0.58 0.17 -4.93 120.64 110.32 1t8d n GLU 40 Ca 0.07 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1t8d n GLU 40 Cb 0.42 -4.66 0.00 0.00 -0.57 0.00 0.00 31.44 26.62 1t8d n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t8d n GLY 41 N -1.18 3.98 3.45 0.62 0.00 -0.58 -4.61 105.19 106.88 1t8d n GLY 41 Ca -0.14 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1t8d n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t8d s GLN 42 N 3.65 1.31 -0.36 1.61 2.00 0.26 -4.75 119.66 123.37 1t8d s GLN 42 Ca 0.00 -0.50 -0.29 0.00 -2.00 0.00 0.00 55.36 52.57 1t8d s GLN 42 Cb 0.00 0.59 0.01 0.00 0.80 0.00 0.00 33.01 34.40 1t8d s GLN 42 CO 0.00 -0.58 1.34 -1.17 -0.50 0.00 0.00 175.29 174.39 1t8d s LEU 43 N -2.76 3.73 0.00 3.68 2.96 -1.26 0.19 118.68 125.22 1t8d s LEU 43 Ca 0.02 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1t8d s LEU 43 Cb -0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1t8d s LEU 43 CO -0.11 -1.25 0.00 1.33 -1.32 0.00 0.00 176.35 174.99 1t8d n VAL 44 N 6.65 0.00 -2.83 1.68 0.24 -1.25 -3.07 118.33 119.76 1t8d n VAL 44 Ca 0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.35 1t8d n VAL 44 Cb 0.47 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.90 1t8d n VAL 44 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1t8d n SER 45 N -0.16 -3.41 -4.68 -1.34 7.64 -1.26 -4.66 113.62 105.75 1t8d n SER 45 Ca 0.00 -0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 1t8d n SER 45 Cb 0.00 -3.62 0.01 0.00 -1.01 0.00 0.00 64.21 59.59 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1t8d n ILE 46 N -2.90 2.35 -0.63 0.44 -5.35 -1.26 -4.86 119.36 107.15 1t8d n ILE 46 Ca -0.13 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1t8d n ILE 46 Cb 0.60 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 1t8d n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t8d n HIS 47 N -0.09 0.00 -4.27 4.28 1.44 -1.26 -4.87 115.22 110.45 1t8d n HIS 47 Ca 0.07 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.44 1t8d n HIS 47 Cb 0.38 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.34 1t8d n HIS 47 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t8d s SER 48 N -0.04 3.48 0.56 4.39 0.15 -1.26 -4.79 113.70 116.18 1t8d s SER 48 Ca 0.00 -0.55 0.38 0.00 0.70 0.00 0.00 55.95 56.48 1t8d s SER 48 Cb 0.00 -1.54 1.54 0.00 -1.71 0.00 0.00 66.02 64.30 1t8d s SER 48 CO 0.00 0.03 1.72 -0.65 1.20 0.00 0.00 173.24 175.54 1t8d h PRO 49 N 7.70 0.00 -0.06 5.44 0.11 -1.98 0.46 132.00 143.68 1t8d h PRO 49 Ca -0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1t8d h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t8d h PRO 49 CO 0.60 0.00 -0.26 1.49 -0.21 0.00 0.00 178.00 179.62 1t8d h GLU 50 N 0.00 0.27 -0.28 1.05 4.81 -1.97 -1.77 114.58 116.69 1t8d h GLU 50 Ca 0.61 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1t8d h GLU 50 Cb 2.55 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.96 1t8d h GLU 50 CO -0.01 0.86 0.12 0.93 -0.73 0.00 0.00 179.01 180.19 1t8d h GLU 51 N -0.25 0.41 -0.79 1.92 4.39 -0.57 0.62 114.58 120.31 1t8d h GLU 51 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1t8d h GLU 51 Cb 0.91 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1t8d h GLU 51 CO 0.05 0.42 0.44 -0.56 -1.16 0.00 0.00 179.01 178.20 1t8d h GLN 52 N 0.30 1.10 -0.24 2.33 -0.00 -1.22 -1.59 115.11 115.79 1t8d h GLN 52 Ca 0.09 -0.13 -0.11 0.00 -0.00 0.00 0.00 58.65 58.51 1t8d h GLN 52 Cb 0.16 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.48 27.41 1t8d h GLN 52 CO -0.01 0.81 -0.32 0.22 -0.00 0.00 0.00 178.83 179.53 1t8d h ASP 53 N 1.09 0.50 0.13 0.06 3.58 -1.00 0.91 116.42 121.69 1t8d h ASP 53 Ca 0.28 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1t8d h ASP 53 Cb 0.03 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1t8d h ASP 53 CO -0.05 0.80 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.78 1t8d h PHE 54 N 0.42 -0.20 -0.09 0.28 0.04 0.11 0.39 116.94 117.89 1t8d h PHE 54 Ca 0.05 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.59 1t8d h PHE 54 Cb 0.77 0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.00 1t8d h PHE 54 CO 0.03 -0.12 -0.84 1.37 -0.60 0.00 0.00 178.31 178.14 1t8d h LEU 55 N -0.20 0.81 -1.16 1.54 8.10 -1.30 -1.46 115.31 121.64 1t8d h LEU 55 Ca -0.01 -0.56 0.01 0.00 0.11 0.00 0.00 57.88 57.43 1t8d h LEU 55 Cb 0.16 -0.24 -0.04 0.00 -0.44 0.00 0.00 40.66 40.10 1t8d h LEU 55 CO 0.01 1.35 0.57 0.74 -4.11 0.00 0.00 178.44 177.01 1t8d h THR 56 N 0.43 1.21 -0.04 0.15 2.02 -0.66 0.28 112.91 116.30 1t8d h THR 56 Ca -0.07 -0.40 -0.20 0.00 0.77 0.00 0.00 66.41 66.52 1t8d h THR 56 Cb 1.47 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1t8d h THR 56 CO 0.16 0.21 -0.81 0.50 0.37 0.00 0.00 175.52 175.95 1t8d h LYS 57 N 1.15 0.35 0.00 6.66 1.63 -0.19 -2.98 116.57 123.20 1t8d h LYS 57 Ca 0.32 -0.33 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1t8d h LYS 57 Cb -0.11 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1t8d h LYS 57 CO -0.07 0.99 -0.27 1.25 -3.45 0.00 0.00 179.45 177.90 1t8d h HIS 58 N 0.22 0.00 -1.91 1.91 2.76 -0.04 -3.40 115.15 114.70 1t8d h HIS 58 Ca -0.05 0.00 -0.49 0.00 -2.20 0.00 0.00 60.37 57.63 1t8d h HIS 58 Cb 1.41 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.32 1t8d h HIS 58 CO 0.04 0.27 1.23 0.00 -1.30 0.00 0.00 177.93 178.17 1t8d s ALA 59 N -4.18 2.27 0.00 5.26 0.00 0.84 -4.90 121.76 121.06 1t8d s ALA 59 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1t8d s ALA 59 Cb 0.14 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.93 1t8d s ALA 59 CO 0.67 -3.84 0.22 0.43 0.00 0.00 0.00 175.76 173.24 1t8d n SER 60 N 11.97 0.00 -0.00 0.00 7.64 -1.26 -4.78 113.62 127.19 1t8d n SER 60 Ca 0.19 0.22 -0.00 0.00 1.01 0.00 0.00 58.87 60.29 1t8d n SER 60 Cb 0.51 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1t8d n SER 60 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1t8d h HIS 61 N 0.00 0.00 -3.97 1.43 2.76 -1.98 -3.47 115.15 109.92 1t8d h HIS 61 Ca 0.00 0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.70 1t8d h HIS 61 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1t8d h HIS 61 CO 0.00 0.00 0.37 0.95 -1.30 0.00 0.00 177.93 177.95 1t8d s THR 62 N -1.05 4.03 0.00 6.26 -4.23 -1.26 -5.04 115.64 114.35 1t8d s THR 62 Ca -0.00 1.50 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 1t8d s THR 62 Cb 0.00 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1t8d s THR 62 CO 0.01 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1t8d n GLY 63 N 0.14 -0.95 3.21 3.99 0.00 -1.26 -4.68 105.19 105.64 1t8d n GLY 63 Ca 0.05 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 1t8d n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t8d s SER 64 N -1.36 1.29 -0.13 1.61 1.04 -1.24 -3.97 113.70 110.95 1t8d s SER 64 Ca 0.00 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 55.34 1t8d s SER 64 Cb 0.00 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1t8d s SER 64 CO 0.00 -0.48 -0.08 0.26 0.98 0.00 0.00 173.24 173.92 1t8d s TRP 65 N -3.58 2.93 0.38 5.02 0.51 -1.24 -3.12 118.94 119.82 1t8d s TRP 65 Ca 0.18 -0.35 0.08 0.00 -2.12 0.00 0.00 56.10 53.89 1t8d s TRP 65 Cb 0.05 -1.86 -0.04 0.00 -0.81 0.00 0.00 33.47 30.80 1t8d s TRP 65 CO -0.00 -0.02 0.17 0.96 -0.51 0.00 0.00 176.95 177.55 1t8d s ILE 66 N 0.10 2.67 -0.49 2.03 -4.36 -1.23 -4.18 121.20 115.75 1t8d s ILE 66 Ca -0.03 -1.68 -0.06 0.00 -0.26 0.00 0.00 60.65 58.62 1t8d s ILE 66 Cb -0.14 -2.97 -0.14 0.00 1.25 0.00 0.00 42.46 40.45 1t8d s ILE 66 CO 0.04 -0.09 2.65 0.61 0.24 0.00 0.00 174.94 178.39 1t8d n GLY 67 N -1.21 2.92 3.06 6.27 0.00 -1.17 -4.70 105.19 110.36 1t8d n GLY 67 Ca -0.02 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1t8d n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t8d s LEU 68 N 0.05 1.73 -0.04 0.99 1.98 -1.26 -1.78 118.68 120.36 1t8d s LEU 68 Ca 0.50 -0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.32 1t8d s LEU 68 Cb 0.19 -1.06 0.03 0.00 0.66 0.00 0.00 46.19 46.02 1t8d s LEU 68 CO -0.02 0.03 0.05 -0.60 -1.89 0.00 0.00 176.35 173.92 1t8d s ARG 69 N 0.85 0.03 0.32 1.98 3.00 0.11 -3.56 118.95 121.68 1t8d s ARG 69 Ca -0.10 0.31 -0.08 0.00 -1.00 0.00 0.00 55.73 54.86 1t8d s ARG 69 Cb -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 34.95 34.21 1t8d s ARG 69 CO 0.01 -0.29 0.64 0.54 0.00 0.00 0.00 175.30 176.19 1t8d s ASN 70 N 1.94 6.51 0.00 -2.12 4.22 0.79 -1.07 114.94 125.21 1t8d s ASN 70 Ca 0.02 0.91 0.00 0.00 -2.14 0.00 0.00 52.86 51.65 1t8d s ASN 70 Cb -0.12 -2.23 0.00 0.00 1.28 0.00 0.00 41.25 40.18 1t8d s ASN 70 CO -0.03 -0.25 0.64 0.18 -2.04 0.00 0.00 177.10 175.60 1t8d n LEU 71 N -0.93 0.00 0.00 3.54 4.77 -1.04 -4.73 117.00 118.61 1t8d n LEU 71 Ca 0.00 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1t8d n LEU 71 Cb 0.54 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1t8d n LEU 71 CO 0.47 -0.14 0.00 0.47 -1.33 0.00 0.00 177.39 176.86 1t8d n ASP 72 N -1.14 0.00 0.21 -1.43 9.92 -1.26 -5.06 116.55 117.79 1t8d n ASP 72 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1t8d n ASP 72 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1t8d n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1t8d n LEU 73 N -2.39 -3.64 -1.19 0.64 -0.00 -1.26 -4.71 117.00 104.45 1t8d n LEU 73 Ca 0.00 0.81 0.11 0.00 -0.00 0.00 0.00 56.01 56.93 1t8d n LEU 73 Cb 0.00 3.43 0.26 0.00 -0.00 0.00 0.00 43.42 47.11 1t8d n LEU 73 CO 0.00 0.17 0.72 0.29 -0.00 0.00 0.00 177.39 178.57 1t8d n LYS 74 N -3.37 2.60 0.00 1.47 5.02 -1.26 -4.08 118.16 118.54 1t8d n LYS 74 Ca 0.00 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 1t8d n LYS 74 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1t8d n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t8d n GLY 75 N 1.47 -0.83 3.66 0.72 0.00 -1.26 -5.01 105.19 103.94 1t8d n GLY 75 Ca 0.21 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1t8d n GLY 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1t8d s GLU 76 N 0.00 3.15 -0.23 1.61 -1.05 -1.26 -4.96 118.70 115.95 1t8d s GLU 76 Ca 0.00 -0.41 -0.23 0.00 -0.15 0.00 0.00 54.97 54.17 1t8d s GLU 76 Cb 0.00 -2.84 -0.01 0.00 -0.44 0.00 0.00 34.13 30.84 1t8d s GLU 76 CO 0.00 0.62 0.76 -0.06 0.95 0.00 0.00 175.26 177.53 1t8d s PHE 77 N -0.64 3.33 -0.02 4.83 0.08 -1.26 -2.49 117.98 121.81 1t8d s PHE 77 Ca 0.10 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.27 1t8d s PHE 77 Cb -0.12 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1t8d s PHE 77 CO 0.02 -0.33 -0.19 0.42 -0.10 0.00 0.00 175.22 175.04 1t8d s ILE 78 N 2.56 2.69 0.52 0.64 -1.09 -0.23 -2.62 121.20 123.67 1t8d s ILE 78 Ca 0.33 -0.95 -0.19 0.00 -2.23 0.00 0.00 60.65 57.62 1t8d s ILE 78 Cb -0.16 -2.04 -0.07 0.00 -1.58 0.00 0.00 42.46 38.62 1t8d s ILE 78 CO 0.09 0.53 1.05 0.26 -1.23 0.00 0.00 174.94 175.64 1t8d s TRP 79 N -0.74 2.99 0.59 3.97 0.52 -0.16 0.07 118.94 126.19 1t8d s TRP 79 Ca 0.12 1.55 0.30 0.00 0.02 0.00 0.00 56.10 58.09 1t8d s TRP 79 Cb -0.10 -3.05 1.82 0.00 -1.15 0.00 0.00 33.47 30.99 1t8d s TRP 79 CO 0.01 -0.94 2.24 -0.24 0.02 0.00 0.00 176.95 178.04 1t8d h VAL 80 N 1.16 0.50 0.00 4.03 3.04 -1.66 0.26 116.25 123.58 1t8d h VAL 80 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1t8d h VAL 80 Cb 1.22 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1t8d h VAL 80 CO 0.58 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.47 1t8d n ASP 81 N -3.82 0.00 -0.12 3.17 2.03 -1.26 -4.86 116.55 111.69 1t8d n ASP 81 Ca -0.02 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1t8d n ASP 81 Cb 0.11 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1t8d n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t8d n GLY 82 N 0.80 0.69 2.86 0.27 0.00 0.91 -5.07 105.19 105.66 1t8d n GLY 82 Ca 0.19 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1t8d n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1t8d s SER 83 N -2.86 1.74 0.58 1.61 0.15 -1.22 -4.91 113.70 108.80 1t8d s SER 83 Ca 0.00 -0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.27 1t8d s SER 83 Cb 0.00 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 1t8d s SER 83 CO 0.00 -0.13 0.96 0.00 1.20 0.00 0.00 173.24 175.27 1t8d n HIS 84 N 4.81 0.84 -1.00 3.44 1.44 -1.26 -0.99 115.22 122.49 1t8d n HIS 84 Ca -0.13 0.44 -0.34 0.00 -2.01 0.00 0.00 57.72 55.69 1t8d n HIS 84 Cb 0.50 -2.15 0.11 0.00 0.12 0.00 0.00 29.99 28.57 1t8d n HIS 84 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1t8d n VAL 85 N -1.60 0.94 0.02 0.61 0.31 -1.08 -4.78 118.33 112.76 1t8d n VAL 85 Ca 0.13 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.18 1t8d n VAL 85 Cb 0.47 -0.76 -0.01 0.00 -0.91 0.00 0.00 33.84 32.63 1t8d n VAL 85 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1t8d n ASP 86 N -1.35 1.27 -0.09 4.52 9.92 -1.26 -4.93 116.55 124.63 1t8d n ASP 86 Ca 0.09 0.18 -0.13 0.00 -0.53 0.00 0.00 54.79 54.40 1t8d n ASP 86 Cb 0.52 -0.42 -0.09 0.00 -0.64 0.00 0.00 41.12 40.48 1t8d n ASP 86 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1t8d n TYR 87 N -3.69 0.00 -1.41 1.24 4.02 -1.26 -5.12 117.16 110.94 1t8d n TYR 87 Ca -0.03 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.03 1t8d n TYR 87 Cb 0.11 -0.74 -0.09 0.00 -0.02 0.00 0.00 39.34 38.60 1t8d n TYR 87 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1t8d n SER 88 N -3.00 -7.81 0.00 7.72 7.64 -1.26 -4.96 113.62 111.94 1t8d n SER 88 Ca -0.33 1.35 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1t8d n SER 88 Cb 0.88 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1t8d n SER 88 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1t8d n ASN 89 N -4.28 0.00 -4.29 6.43 3.02 -1.26 -5.07 115.26 109.80 1t8d n ASN 89 Ca -0.08 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.90 1t8d n ASN 89 Cb 0.67 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.71 1t8d n ASN 89 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1t8d n TRP 90 N 0.00 1.07 -1.28 3.10 4.27 -1.25 -3.64 117.44 119.71 1t8d n TRP 90 Ca 0.00 0.71 -0.50 0.00 -3.89 0.00 0.00 57.50 53.82 1t8d n TRP 90 Cb 0.00 -2.30 -0.07 0.00 -1.36 0.00 0.00 31.31 27.57 1t8d n TRP 90 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1t8d n ALA 91 N 7.97 -1.69 -0.12 -1.67 0.00 0.97 -4.81 120.51 121.16 1t8d n ALA 91 Ca 0.57 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.48 1t8d n ALA 91 Cb -0.03 -1.43 0.38 0.00 0.00 0.00 0.00 19.45 18.38 1t8d n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1t8d h PRO 92 N 3.31 0.65 -2.11 0.00 0.11 -1.91 -3.40 132.00 128.65 1t8d h PRO 92 Ca -0.36 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.52 1t8d h PRO 92 Cb 1.07 -0.15 -0.31 0.00 0.11 0.00 0.00 31.00 31.72 1t8d h PRO 92 CO 0.66 0.43 -0.52 0.20 -0.21 0.00 0.00 178.00 178.57 1t8d s GLY 93 N -3.62 -0.29 -0.50 -0.55 0.00 -1.26 -5.11 107.32 95.99 1t8d s GLY 93 Ca -0.09 0.76 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 1t8d s GLY 93 CO 0.76 2.50 0.42 -0.54 0.00 0.00 0.00 173.10 176.23 1t8d s GLU 94 N 2.49 2.70 0.43 2.90 8.01 -1.26 -5.07 118.70 128.89 1t8d s GLU 94 Ca 0.10 -1.75 -0.24 0.00 0.01 0.00 0.00 54.97 53.10 1t8d s GLU 94 Cb -0.15 -4.09 -0.08 0.00 -4.31 0.00 0.00 34.13 25.49 1t8d s GLU 94 CO -0.14 -1.26 1.17 -1.25 0.01 0.00 0.00 175.26 173.79 1t8d s PRO 95 N 1.46 3.92 -1.42 0.39 0.04 -1.26 -3.14 135.00 134.99 1t8d s PRO 95 Ca 0.05 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1t8d s PRO 95 Cb -0.28 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1t8d s PRO 95 CO 0.01 -0.43 0.26 2.41 0.04 0.00 0.00 177.00 179.29 1t8d n THR 96 N -0.18 -1.15 -3.77 1.26 -1.04 -1.26 -4.95 114.28 103.18 1t8d n THR 96 Ca 0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.80 1t8d n THR 96 Cb 0.47 -2.55 -0.17 0.00 -1.82 0.00 0.00 70.33 66.27 1t8d n THR 96 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1t8d s SER 97 N -2.35 2.62 0.72 8.00 0.01 -1.19 -5.14 113.70 116.39 1t8d s SER 97 Ca 0.16 -0.65 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 1t8d s SER 97 Cb -0.08 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.57 1t8d s SER 97 CO 0.19 -0.27 1.09 0.00 0.41 0.00 0.00 173.24 174.67 1t8d s ARG 98 N 1.85 2.56 -0.48 12.44 1.70 -1.26 -4.91 118.95 130.85 1t8d s ARG 98 Ca 0.00 1.18 0.06 0.00 -0.47 0.00 0.00 55.73 56.51 1t8d s ARG 98 Cb -0.16 -1.93 0.19 0.00 -0.57 0.00 0.00 34.95 32.48 1t8d s ARG 98 CO -0.07 -1.41 0.72 -1.54 -1.08 0.00 0.00 175.30 171.92 1t8d s SER 99 N -3.24 -1.40 -0.36 -2.89 1.04 -1.26 -5.01 113.70 100.58 1t8d s SER 99 Ca 0.62 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.75 1t8d s SER 99 Cb -0.17 1.83 0.48 0.00 0.10 0.00 0.00 66.02 68.26 1t8d s SER 99 CO 0.51 -0.08 1.48 0.00 0.98 0.00 0.00 173.24 176.13 1t8d n GLN 100 N 3.38 2.54 0.00 4.02 10.64 -1.26 -4.81 117.38 131.90 1t8d n GLN 100 Ca 0.15 -3.53 0.00 0.00 -1.83 0.00 0.00 57.00 51.80 1t8d n GLN 100 Cb 0.57 -2.05 0.00 0.00 -0.86 0.00 0.00 30.24 27.90 1t8d n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1t8d n GLY 101 N -0.96 -0.01 1.72 2.61 0.00 -1.26 -5.01 105.19 102.27 1t8d n GLY 101 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1t8d n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8d n GLU 102 N -1.14 -4.36 0.00 1.61 1.02 -1.26 -4.51 120.64 112.00 1t8d n GLU 102 Ca 0.00 3.20 0.00 0.00 -0.02 0.00 0.00 57.16 60.34 1t8d n GLU 102 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 1t8d n GLU 102 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1t8d n ASP 103 N 1.48 -0.02 -4.96 1.62 2.03 -1.22 -4.07 116.55 111.42 1t8d n ASP 103 Ca 0.00 0.01 -0.19 0.00 0.52 0.00 0.00 54.79 55.13 1t8d n ASP 103 Cb 0.00 0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.54 1t8d n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t8d s VAL 105 N -2.40 2.08 0.23 0.00 1.01 -1.23 -1.54 120.40 118.55 1t8d s VAL 105 Ca 0.52 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1t8d s VAL 105 Cb -0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1t8d s VAL 105 CO 0.31 0.57 0.12 0.00 0.00 0.00 0.00 175.10 176.10 1t8d s MET 106 N -0.22 1.30 0.03 2.72 0.23 -1.04 -3.47 119.30 118.85 1t8d s MET 106 Ca -0.02 -1.69 0.09 0.00 -1.03 0.00 0.00 55.69 53.04 1t8d s MET 106 Cb -0.13 0.04 -0.03 0.00 -1.53 0.00 0.00 34.83 33.18 1t8d s MET 106 CO 0.03 -0.35 -0.26 0.00 -2.03 0.00 0.00 175.02 172.41 1t8d s MET 107 N -4.10 1.82 -0.30 3.16 0.23 -1.18 0.56 119.30 119.49 1t8d s MET 107 Ca 0.38 -1.05 -0.26 0.00 -1.03 0.00 0.00 55.69 53.73 1t8d s MET 107 Cb 0.07 -1.94 0.20 0.00 -1.53 0.00 0.00 34.83 31.63 1t8d s MET 107 CO 0.13 0.51 1.47 0.50 -2.03 0.00 0.00 175.02 175.60 1t8d s ARG 108 N -1.10 0.02 0.34 3.16 3.52 -1.16 -3.64 118.95 120.09 1t8d s ARG 108 Ca 0.11 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 1t8d s ARG 108 Cb -0.10 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 1t8d s ARG 108 CO 0.01 -0.00 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1t8d n GLY 109 N 1.39 -3.76 5.08 8.12 0.00 -1.26 -4.66 105.19 110.10 1t8d n GLY 109 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1t8d n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8d n SER 110 N -1.62 0.00 0.00 1.61 7.64 -1.26 -3.56 113.62 116.43 1t8d n SER 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t8d n SER 110 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1t8d n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t8d n GLY 111 N 0.00 0.00 0.00 0.23 0.00 -1.26 -5.09 105.19 99.07 1t8d n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t8d n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1t8d n ARG 112 N 0.00 1.09 -3.99 1.61 0.00 -1.23 -4.67 116.66 109.47 1t8d n ARG 112 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1t8d n ARG 112 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 32.46 32.42 1t8d n ARG 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1t8d s TRP 113 N 0.61 2.94 -0.06 2.89 0.51 -1.24 -2.98 118.94 121.61 1t8d s TRP 113 Ca 0.00 -0.24 -0.02 0.00 -2.12 0.00 0.00 56.10 53.72 1t8d s TRP 113 Cb 0.00 -1.59 0.03 0.00 -0.81 0.00 0.00 33.47 31.10 1t8d s TRP 113 CO 0.00 0.35 0.04 -0.80 -0.51 0.00 0.00 176.95 176.03 1t8d s ASN 114 N -3.90 1.36 -0.47 2.95 0.01 0.19 -0.02 114.94 115.06 1t8d s ASN 114 Ca 0.37 -0.01 -0.25 0.00 -0.71 0.00 0.00 52.86 52.26 1t8d s ASN 114 Cb -0.06 -0.26 0.03 0.00 0.41 0.00 0.00 41.25 41.36 1t8d s ASN 114 CO 0.25 -0.23 0.89 -0.62 -1.51 0.00 0.00 177.10 175.88 1t8d s ASP 115 N 2.09 6.46 0.16 -1.22 2.15 -1.26 -2.51 116.67 122.54 1t8d s ASP 115 Ca 0.05 0.01 -0.20 0.00 0.43 0.00 0.00 52.55 52.84 1t8d s ASP 115 Cb -0.12 -2.43 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1t8d s ASP 115 CO -0.04 -1.03 0.53 0.00 -0.17 0.00 0.00 175.17 174.46 1t8d s ALA 116 N 3.64 -1.28 0.85 3.66 0.00 -0.59 -4.58 121.76 123.46 1t8d s ALA 116 Ca 0.34 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 1t8d s ALA 116 Cb -0.11 0.82 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1t8d s ALA 116 CO 0.25 -0.74 0.71 0.34 0.00 0.00 0.00 175.76 176.31 1t8d n PHE 117 N -0.33 -0.38 -2.00 0.00 -0.00 -1.26 -2.32 117.46 111.18 1t8d n PHE 117 Ca -0.15 0.32 -0.42 0.00 -0.00 0.00 0.00 57.45 57.20 1t8d n PHE 117 Cb 0.64 -1.92 0.00 0.00 -0.00 0.00 0.00 39.48 38.20 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1t8d n ASP 119 N 5.63 0.00 -3.29 0.00 8.00 -1.26 -4.83 116.55 120.80 1t8d n ASP 119 Ca 0.48 0.00 0.03 0.00 0.71 0.00 0.00 54.79 56.01 1t8d n ASP 119 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1t8d n ASP 119 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1t8d s ARG 120 N 0.00 0.26 0.00 -1.24 3.00 -1.26 -4.89 118.95 114.82 1t8d s ARG 120 Ca 0.00 0.58 0.00 0.00 -1.00 0.00 0.00 55.73 55.31 1t8d s ARG 120 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 34.95 35.29 1t8d s ARG 120 CO 0.00 -0.16 0.00 1.17 0.00 0.00 0.00 175.30 176.31 1t8d n LYS 121 N 5.14 0.00 -2.46 5.12 4.81 -1.26 -5.15 118.16 124.36 1t8d n LYS 121 Ca -0.08 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.12 1t8d n LYS 121 Cb 0.53 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.69 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1t8d s LEU 122 N -1.22 2.96 0.00 3.14 1.02 -1.26 -4.59 118.68 118.73 1t8d s LEU 122 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1t8d s LEU 122 Cb 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.96 1t8d s LEU 122 CO 0.00 -1.87 0.00 0.61 0.02 0.00 0.00 176.35 175.11 1t8d n GLY 123 N -2.92 0.96 3.10 -3.19 0.00 -1.26 -4.78 105.19 97.11 1t8d n GLY 123 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1t8d n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t8d s ALA 124 N 0.00 1.62 -0.15 4.61 0.00 -1.25 -2.04 121.76 124.55 1t8d s ALA 124 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1t8d s ALA 124 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1t8d s ALA 124 CO 0.00 0.19 0.22 1.67 0.00 0.00 0.00 175.76 177.84 1t8d s TRP 125 N 0.52 3.50 -0.07 0.00 1.48 0.79 -3.71 118.94 121.45 1t8d s TRP 125 Ca -0.16 0.53 0.02 0.00 -1.06 0.00 0.00 56.10 55.43 1t8d s TRP 125 Cb -0.17 -2.19 0.02 0.00 -1.16 0.00 0.00 33.47 29.97 1t8d s TRP 125 CO 0.06 0.40 -0.10 0.54 -4.06 0.00 0.00 176.95 173.79 1t8d s VAL 126 N -0.04 1.02 0.10 -0.66 0.11 -1.25 -1.50 120.40 118.18 1t8d s VAL 126 Ca 0.14 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1t8d s VAL 126 Cb -0.12 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1t8d s VAL 126 CO 0.03 0.33 0.05 0.00 -3.33 0.00 0.00 175.10 172.18 1t8d s ASP 128 N -2.98 2.23 0.20 0.00 -4.77 0.13 0.23 116.67 111.71 1t8d s ASP 128 Ca 0.16 -0.46 -0.17 0.00 -3.30 0.00 0.00 52.55 48.78 1t8d s ASP 128 Cb 0.07 -0.20 0.02 0.00 -1.09 0.00 0.00 42.92 41.73 1t8d s ASP 128 CO -0.04 0.15 0.51 0.00 0.70 0.00 0.00 175.17 176.50 1t8d s ARG 129 N -0.97 1.38 0.13 2.11 1.70 -0.62 0.90 118.95 123.59 1t8d s ARG 129 Ca 0.06 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1t8d s ARG 129 Cb -0.08 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 1t8d s ARG 129 CO 0.01 -0.58 1.15 -0.51 -1.08 0.00 0.00 175.30 174.29 1t8d s LEU 130 N -2.89 4.43 -0.84 -1.89 2.01 -1.26 0.04 118.68 118.28 1t8d s LEU 130 Ca 0.10 2.07 -0.28 0.00 0.01 0.00 0.00 54.13 56.04 1t8d s LEU 130 Cb -0.01 -3.59 -0.18 0.00 0.01 0.00 0.00 46.19 42.41 1t8d s LEU 130 CO -0.02 -0.34 2.56 0.00 1.01 0.00 0.00 176.35 179.56 1t8d n ALA 131 N 3.00 0.50 -3.91 4.21 0.00 -1.02 -4.79 120.51 118.50 1t8d n ALA 131 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1t8d n ALA 131 Cb 0.46 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 1t8d n ALA 131 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1t8d n THR 132 N 7.54 0.00 -3.63 0.00 -2.24 -1.21 -4.60 114.28 110.14 1t8d n THR 132 Ca 0.57 -1.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1t8d n THR 132 Cb 0.21 0.43 -0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1t8d n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t8d s THR 134 N -0.26 2.44 0.55 0.00 -4.23 -1.26 -4.98 115.64 107.90 1t8d s THR 134 Ca 0.00 0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.68 1t8d s THR 134 Cb -0.00 -3.20 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 1t8d s THR 134 CO 0.00 0.03 1.13 -2.16 -0.54 0.00 0.00 174.62 173.08 1t8d s PRO 135 N -2.54 3.32 -0.65 3.99 0.04 -1.26 -4.93 135.00 132.98 1t8d s PRO 135 Ca 0.63 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1t8d s PRO 135 Cb -0.38 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1t8d s PRO 135 CO 0.48 -0.87 1.87 -1.25 0.04 0.00 0.00 177.00 177.27 1t8d s PRO 136 N -3.32 2.61 -0.25 0.56 0.04 -1.26 -4.95 135.00 128.44 1t8d s PRO 136 Ca 0.73 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1t8d s PRO 136 Cb -0.24 -4.47 -0.01 0.00 0.04 0.00 0.00 34.50 29.82 1t8d s PRO 136 CO 0.28 -2.82 1.41 0.00 0.04 0.00 0.00 177.00 175.91 1t8d s ALA 137 N 9.21 3.38 0.00 8.56 0.00 -1.26 -4.75 121.76 136.91 1t8d s ALA 137 Ca 0.68 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1t8d s ALA 137 Cb -0.12 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1t8d s ALA 137 CO 0.18 -1.74 0.00 -1.13 0.00 0.00 0.00 175.76 173.07 1t8d n SER 138 N 7.74 1.12 -4.67 0.00 3.41 -1.26 -5.05 113.62 114.90 1t8d n SER 138 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 1t8d n SER 138 Cb 0.46 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1t8d n SER 138 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1t8d s GLU 139 N -1.24 4.25 0.00 4.33 8.01 -1.26 -4.59 118.70 128.20 1t8d s GLU 139 Ca 0.00 1.88 0.00 0.00 0.01 0.00 0.00 54.97 56.86 1t8d s GLU 139 Cb 0.00 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 26.10 1t8d s GLU 139 CO 0.00 -0.66 0.00 0.41 0.01 0.00 0.00 175.26 175.02 1t8d n GLY 140 N 3.71 0.57 2.47 -1.39 0.00 -1.26 -4.99 105.19 104.30 1t8d n GLY 140 Ca 0.14 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1t8d n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t8d n SER 141 N 0.00 -5.17 -3.22 1.61 7.64 -1.26 -1.73 113.62 111.50 1t8d n SER 141 Ca 0.00 0.41 -0.23 0.00 1.01 0.00 0.00 58.87 60.06 1t8d n SER 141 Cb 0.00 -4.55 0.02 0.00 -1.01 0.00 0.00 64.21 58.66 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t8d n ALA 142 N 0.70 -1.03 -0.83 -0.43 0.00 -1.26 -5.28 120.51 112.38 1t8d n ALA 142 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1t8d n ALA 142 Cb 0.64 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1t8d n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59