#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 2.03 3.70 5.00 0.00 -1.26 -5.17 105.19 109.49 1t8d n GLY 2 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1t8d n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t8d s PHE 3 N 0.00 2.20 0.92 1.61 0.40 -1.26 -5.01 117.98 116.84 1t8d s PHE 3 Ca 0.00 1.28 -0.11 0.00 -0.60 0.00 0.00 56.93 57.49 1t8d s PHE 3 Cb 0.00 -3.17 0.14 0.00 0.51 0.00 0.00 43.02 40.50 1t8d s PHE 3 CO 0.00 -2.55 1.09 0.14 0.70 0.00 0.00 175.22 174.61 1t8d s VAL 4 N -2.88 2.55 -1.91 -0.44 -7.23 -1.26 -4.95 120.40 104.28 1t8d s VAL 4 Ca 0.64 0.18 0.22 0.00 -1.81 0.00 0.00 61.98 61.21 1t8d s VAL 4 Cb -0.19 -2.52 0.66 0.00 0.56 0.00 0.00 36.38 34.89 1t8d s VAL 4 CO 0.58 -0.23 1.55 0.00 -0.31 0.00 0.00 175.10 176.68 1t8d n ASN 6 N 1.61 -4.87 -0.05 0.00 4.13 -1.25 -4.90 115.26 109.92 1t8d n ASN 6 Ca 0.25 0.06 0.15 0.00 1.68 0.00 0.00 54.58 56.72 1t8d n ASN 6 Cb 0.65 -3.13 0.57 0.00 -1.54 0.00 0.00 39.78 36.33 1t8d n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1t8d h THR 7 N 0.47 0.83 -3.07 3.41 1.03 -1.78 -3.39 112.91 110.42 1t8d h THR 7 Ca 0.00 -0.09 -0.56 0.00 -0.01 0.00 0.00 66.41 65.75 1t8d h THR 7 Cb 0.84 0.55 -0.05 0.00 -1.07 0.00 0.00 68.15 68.42 1t8d h THR 7 CO 0.13 0.05 1.12 0.00 -0.01 0.00 0.00 175.52 176.81 1t8d n PRO 9 N 8.27 0.00 0.00 0.00 -0.04 -1.26 -4.83 135.00 137.14 1t8d n PRO 9 Ca 0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1t8d n PRO 9 Cb 0.48 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1t8d n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1t8d n GLU 10 N -1.54 0.00 0.02 0.54 0.28 -1.26 -4.86 120.64 113.82 1t8d n GLU 10 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1t8d n GLU 10 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -0.13 -5.85 3.44 1.57 -1.96 -3.42 116.57 110.23 1t8d h LYS 11 Ca 0.00 0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 58.07 1t8d h LYS 11 Cb 0.00 0.03 0.07 0.00 0.08 0.00 0.00 32.23 32.41 1t8d h LYS 11 CO 0.00 -0.08 -0.17 0.91 -0.57 0.00 0.00 179.45 179.53 1t8d n TRP 12 N -3.02 0.18 -4.28 -1.35 8.01 -1.26 -4.51 117.44 111.22 1t8d n TRP 12 Ca -0.01 1.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.93 1t8d n TRP 12 Cb 0.07 -1.99 -0.17 0.00 -2.01 0.00 0.00 31.31 27.22 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 -0.40 0.97 0.11 -0.99 1.01 0.15 -4.08 121.20 117.97 1t8d s ILE 13 Ca 0.78 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1t8d s ILE 13 Cb -1.10 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1t8d s ILE 13 CO 0.55 0.33 0.12 0.21 0.00 0.00 0.00 174.94 176.15 1t8d s ASN 14 N 1.07 5.64 0.00 3.58 3.84 -1.26 0.91 114.94 128.71 1t8d s ASN 14 Ca -0.07 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1t8d s ASN 14 Cb -0.14 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.02 1t8d s ASN 14 CO -0.01 0.14 0.00 0.49 -2.79 0.00 0.00 177.10 174.93 1t8d n PHE 15 N 0.15 0.00 -0.21 0.43 3.72 0.13 -4.96 117.46 116.72 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 0.12 0.00 -0.94 0.00 0.00 39.48 39.18 1t8d n PHE 15 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1t8d h GLN 16 N 0.00 0.16 0.00 -1.08 3.07 -2.04 -3.40 115.11 111.82 1t8d h GLN 16 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1t8d h GLN 16 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1t8d h GLN 16 CO 0.00 0.10 0.00 2.89 0.09 0.00 0.00 178.83 181.91 1t8d n ARG 17 N -5.24 0.00 -4.29 0.06 -4.01 -1.26 -5.11 116.66 96.81 1t8d n ARG 17 Ca 0.10 0.00 -0.25 0.00 -1.04 0.00 0.00 57.85 56.66 1t8d n ARG 17 Cb 0.37 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.71 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 1t8d s LYS 18 N 0.00 2.18 0.22 2.89 -2.85 -1.26 -1.77 119.74 119.14 1t8d s LYS 18 Ca 0.00 -1.34 0.04 0.00 -1.00 0.00 0.00 55.97 53.68 1t8d s LYS 18 Cb 0.00 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.56 1t8d s LYS 18 CO 0.00 0.40 -0.04 0.00 0.10 0.00 0.00 175.35 175.81 1t8d s TYR 20 N -3.31 1.85 -0.24 0.00 1.51 0.26 -1.01 117.35 116.41 1t8d s TYR 20 Ca 0.25 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1t8d s TYR 20 Cb 0.04 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1t8d s TYR 20 CO 0.07 0.31 -0.09 0.71 -1.11 0.00 0.00 175.55 175.44 1t8d s TYR 21 N -1.80 3.05 -0.46 2.71 2.02 0.64 -0.68 117.35 122.83 1t8d s TYR 21 Ca 0.14 -1.69 0.07 0.00 -0.37 0.00 0.00 57.07 55.22 1t8d s TYR 21 Cb -0.07 -2.02 0.40 0.00 -0.40 0.00 0.00 41.96 39.87 1t8d s TYR 21 CO 0.06 -0.77 1.02 1.19 -1.57 0.00 0.00 175.55 175.49 1t8d n PHE 22 N 4.62 3.14 -2.12 2.71 3.72 -1.26 -1.50 117.46 126.78 1t8d n PHE 22 Ca -0.17 -3.38 -0.17 0.00 -0.05 0.00 0.00 57.45 53.69 1t8d n PHE 22 Cb 0.47 -0.25 0.10 0.00 -0.94 0.00 0.00 39.48 38.85 1t8d n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t8d n GLY 23 N -0.32 -0.14 3.49 1.37 0.00 -0.52 -4.65 105.19 104.42 1t8d n GLY 23 Ca 0.32 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1t8d n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t8d s LYS 24 N -4.44 3.31 0.00 1.61 -2.85 -1.26 -0.88 119.74 115.23 1t8d s LYS 24 Ca 0.45 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1t8d s LYS 24 Cb -0.02 -2.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.01 1t8d s LYS 24 CO 0.31 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.54 1t8d n GLY 25 N 3.12 -1.27 1.14 0.59 0.00 0.13 -4.66 105.19 104.23 1t8d n GLY 25 Ca -0.18 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1t8d n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t8d n THR 26 N -0.48 -2.40 -0.01 2.61 -1.04 -1.26 -2.63 114.28 109.06 1t8d n THR 26 Ca 0.00 1.16 0.00 0.00 -2.04 0.00 0.00 64.05 63.17 1t8d n THR 26 Cb 0.00 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 66.66 1t8d n THR 26 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1t8d n LYS 27 N -2.10 4.81 -4.16 -2.82 2.85 -1.26 -4.40 118.16 111.08 1t8d n LYS 27 Ca 0.00 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 1t8d n LYS 27 Cb 0.30 -0.38 -0.10 0.00 -0.65 0.00 0.00 35.03 34.20 1t8d n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1t8d s GLN 28 N -0.69 0.81 0.12 -1.58 -1.52 -1.26 -4.66 119.66 110.88 1t8d s GLN 28 Ca 0.00 -1.25 -0.20 0.00 -1.95 0.00 0.00 55.36 51.96 1t8d s GLN 28 Cb 0.00 -0.29 -0.04 0.00 -0.22 0.00 0.00 33.01 32.46 1t8d s GLN 28 CO 0.00 0.01 1.72 2.35 -0.25 0.00 0.00 175.29 179.12 1t8d h TRP 29 N 3.22 -0.02 -0.57 0.91 7.01 -1.97 -1.11 115.95 123.42 1t8d h TRP 29 Ca -0.36 0.01 0.14 0.00 2.11 0.00 0.00 58.89 60.79 1t8d h TRP 29 Cb 1.17 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 28.24 1t8d h TRP 29 CO 0.61 -0.03 0.40 -0.39 -2.79 0.00 0.00 178.44 176.23 1t8d h VAL 30 N 0.05 0.79 0.00 2.65 -1.51 -1.98 0.37 116.25 116.63 1t8d h VAL 30 Ca 0.08 -0.06 -0.10 0.00 -1.23 0.00 0.00 66.70 65.40 1t8d h VAL 30 Cb 0.11 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1t8d h VAL 30 CO -0.15 0.03 -0.46 0.45 -1.23 0.00 0.00 177.57 176.22 1t8d h HIS 31 N 0.17 0.00 -0.04 5.19 3.86 -1.63 -2.37 115.15 120.33 1t8d h HIS 31 Ca 0.27 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1t8d h HIS 31 Cb 0.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1t8d h HIS 31 CO -0.00 0.46 -0.06 0.00 0.86 0.00 0.00 177.93 179.19 1t8d h ALA 32 N 1.54 0.06 -0.82 2.45 0.00 0.30 -1.99 119.26 120.80 1t8d h ALA 32 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1t8d h ALA 32 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1t8d h ALA 32 CO 0.06 -0.13 0.45 0.07 0.00 0.00 0.00 179.25 179.70 1t8d h ARG 33 N -0.39 1.14 -0.55 0.00 0.11 -1.45 -1.08 114.38 112.17 1t8d h ARG 33 Ca 0.00 -0.13 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 1t8d h ARG 33 Cb 0.60 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 1t8d h ARG 33 CO 0.01 0.83 0.26 -0.92 0.10 0.00 0.00 179.97 180.25 1t8d h TYR 34 N 1.15 0.76 -0.51 4.08 5.03 -1.41 -1.14 116.97 124.92 1t8d h TYR 34 Ca 0.29 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.49 1t8d h TYR 34 Cb 0.03 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.05 1t8d h TYR 34 CO 0.01 0.57 -0.01 0.00 -1.32 0.00 0.00 178.16 177.40 1t8d h ALA 35 N 1.51 1.01 -0.17 1.82 0.00 -0.44 -2.60 119.26 120.38 1t8d h ALA 35 Ca 0.19 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1t8d h ALA 35 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1t8d h ALA 35 CO -0.02 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.86 1t8d h ASP 37 N 0.09 0.44 0.47 0.00 3.32 -1.13 0.52 116.42 120.13 1t8d h ASP 37 Ca 0.08 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1t8d h ASP 37 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1t8d h ASP 37 CO -0.11 0.26 -0.29 -0.78 -1.72 0.00 0.00 179.24 176.60 1t8d h ASP 38 N 0.49 0.00 0.08 6.45 1.82 -0.85 -2.15 116.42 122.26 1t8d h ASP 38 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 1t8d h ASP 38 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1t8d h ASP 38 CO -0.10 0.29 -0.66 0.23 -1.61 0.00 0.00 179.24 177.40 1t8d n MET 39 N -3.85 0.55 -2.76 0.28 2.81 0.68 -4.97 117.12 109.86 1t8d n MET 39 Ca -0.01 -0.43 -0.10 0.00 -1.81 0.00 0.00 57.70 55.34 1t8d n MET 39 Cb 0.38 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.42 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 -0.85 -2.80 0.00 0.03 1.02 0.15 -4.94 120.64 113.25 1t8d n GLU 40 Ca 0.07 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1t8d n GLU 40 Cb 0.38 -4.16 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 1t8d n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t8d n GLY 41 N -1.14 1.91 3.44 0.62 0.00 -0.39 -4.74 105.19 104.88 1t8d n GLY 41 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 1.29 -0.37 1.61 0.74 0.24 -4.72 119.66 122.10 1t8d s GLN 42 Ca 0.00 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 1t8d s GLN 42 Cb 0.00 0.59 0.01 0.00 1.10 0.00 0.00 33.01 34.71 1t8d s GLN 42 CO 0.00 -0.56 1.32 -1.17 -0.55 0.00 0.00 175.29 174.33 1t8d s LEU 43 N -2.75 3.72 0.00 3.68 2.96 -1.26 0.27 118.68 125.30 1t8d s LEU 43 Ca 0.01 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 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 -0.12 -1.25 0.00 1.33 -1.32 0.00 0.00 176.35 174.98 1t8d n VAL 44 N 6.67 0.00 -2.79 1.68 0.24 -1.25 -3.09 118.33 119.79 1t8d n VAL 44 Ca 0.15 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.35 1t8d n VAL 44 Cb 0.48 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 -0.24 -2.14 0.00 0.00 176.83 174.45 1t8d n SER 45 N -0.23 -3.41 -4.59 -1.34 2.88 -1.26 -4.64 113.62 101.04 1t8d n SER 45 Ca 0.00 -0.43 -0.42 0.00 -1.33 0.00 0.00 58.87 56.69 1t8d n SER 45 Cb 0.00 -3.52 0.01 0.00 -0.75 0.00 0.00 64.21 59.95 1t8d n SER 45 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1t8d n ILE 46 N -2.83 2.32 -0.75 2.46 -0.00 -1.26 -4.85 119.36 114.45 1t8d n ILE 46 Ca -0.12 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.13 1t8d n ILE 46 Cb 0.59 -1.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 1t8d n ILE 46 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1t8d n HIS 47 N -0.45 0.00 -4.20 4.28 -0.00 -1.26 -4.92 115.22 108.67 1t8d n HIS 47 Ca 0.10 -0.01 -0.31 0.00 0.46 0.00 0.00 57.72 57.96 1t8d n HIS 47 Cb 0.38 -0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.09 1t8d n HIS 47 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1t8d s SER 48 N -0.02 2.83 0.56 0.26 0.01 -1.26 -4.90 113.70 111.19 1t8d s SER 48 Ca 0.00 -0.54 0.35 0.00 1.31 0.00 0.00 55.95 57.08 1t8d s SER 48 Cb 0.00 -1.28 1.48 0.00 0.21 0.00 0.00 66.02 66.42 1t8d s SER 48 CO 0.00 -0.01 1.73 -0.65 0.41 0.00 0.00 173.24 174.72 1t8d h PRO 49 N 7.83 0.00 -0.08 12.44 0.11 -1.97 0.57 132.00 150.89 1t8d h PRO 49 Ca -0.38 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.62 1t8d h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1t8d h PRO 49 CO 0.56 0.00 -0.35 1.49 -0.21 0.00 0.00 178.00 179.48 1t8d h GLU 50 N 0.00 0.39 -0.25 1.05 4.81 -1.98 -2.45 114.58 116.15 1t8d h GLU 50 Ca 0.53 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1t8d h GLU 50 Cb 2.31 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.74 1t8d h GLU 50 CO -0.01 0.94 0.12 0.93 -0.73 0.00 0.00 179.01 180.26 1t8d h GLU 51 N -0.07 0.36 -0.92 1.92 4.39 -0.33 0.58 114.58 120.51 1t8d h GLU 51 Ca -0.02 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1t8d h GLU 51 Cb 1.00 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1t8d h GLU 51 CO 0.07 0.37 0.58 -0.56 -1.16 0.00 0.00 179.01 178.32 1t8d h GLN 52 N 0.27 1.05 -0.20 2.33 -0.00 -1.26 -0.16 115.11 117.14 1t8d h GLN 52 Ca 0.09 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.54 1t8d h GLN 52 Cb 0.13 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.48 27.36 1t8d h GLN 52 CO -0.01 0.69 -0.44 0.22 -0.00 0.00 0.00 178.83 179.30 1t8d h ASP 53 N 1.08 0.52 0.09 0.06 3.58 -1.00 0.11 116.42 120.86 1t8d h ASP 53 Ca 0.39 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1t8d h ASP 53 Cb 0.12 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1t8d h ASP 53 CO -0.16 0.89 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.78 1t8d h PHE 54 N 0.39 -0.13 -0.07 0.28 0.04 0.18 0.35 116.94 117.99 1t8d h PHE 54 Ca 0.03 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.61 1t8d h PHE 54 Cb 0.92 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1t8d h PHE 54 CO 0.03 -0.08 -0.74 1.37 -0.60 0.00 0.00 178.31 178.29 1t8d h LEU 55 N -0.13 0.45 -0.94 1.54 8.10 -1.15 -1.76 115.31 121.41 1t8d h LEU 55 Ca -0.01 -0.30 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1t8d h LEU 55 Cb 0.11 -0.13 -0.05 0.00 -0.44 0.00 0.00 40.66 40.15 1t8d h LEU 55 CO 0.01 1.04 0.59 0.74 -4.11 0.00 0.00 178.44 176.72 1t8d h THR 56 N 0.25 1.25 -0.06 0.15 2.02 -0.47 0.57 112.91 116.61 1t8d h THR 56 Ca -0.03 -0.51 -0.19 0.00 0.77 0.00 0.00 66.41 66.45 1t8d h THR 56 Cb 1.32 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1t8d h THR 56 CO 0.13 0.25 -0.77 0.11 0.37 0.00 0.00 175.52 175.61 1t8d h LYS 57 N 1.29 0.40 0.00 6.66 1.57 -0.24 -2.96 116.57 123.29 1t8d h LYS 57 Ca 0.34 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1t8d h LYS 57 Cb -0.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1t8d h LYS 57 CO -0.07 0.99 -0.33 1.25 -0.57 0.00 0.00 179.45 180.73 1t8d h HIS 58 N 0.26 0.00 -2.96 -1.35 2.76 -0.39 -3.42 115.15 110.05 1t8d h HIS 58 Ca -0.04 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.56 1t8d h HIS 58 Cb 1.36 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 1t8d h HIS 58 CO 0.05 0.33 1.02 0.00 -1.30 0.00 0.00 177.93 178.02 1t8d s ALA 59 N -3.75 3.39 0.00 5.26 0.00 0.19 -5.01 121.76 121.84 1t8d s ALA 59 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1t8d s ALA 59 Cb 0.12 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1t8d s ALA 59 CO 0.67 -1.72 0.00 0.43 0.00 0.00 0.00 175.76 175.14 1t8d n SER 60 N 7.71 0.00 0.32 0.00 7.64 -1.26 -4.70 113.62 123.33 1t8d n SER 60 Ca 0.16 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.23 1t8d n SER 60 Cb 0.46 0.00 0.99 0.00 -1.01 0.00 0.00 64.21 64.65 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 -3.12 1.43 2.76 -1.99 -3.40 115.15 110.83 1t8d h HIS 61 Ca 0.00 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.49 1t8d h HIS 61 Cb 0.00 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 28.83 1t8d h HIS 61 CO 0.00 0.00 -0.58 0.95 -1.30 0.00 0.00 177.93 177.00 1t8d s THR 62 N -4.17 4.67 0.00 6.26 -4.23 -1.26 -5.01 115.64 111.89 1t8d s THR 62 Ca -0.04 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1t8d s THR 62 Cb 0.11 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1t8d s THR 62 CO 0.36 0.61 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 1t8d n GLY 63 N 2.14 -2.00 3.21 3.99 0.00 -1.26 -4.68 105.19 106.58 1t8d n GLY 63 Ca -0.19 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.46 1.27 -0.14 1.61 1.04 -0.92 -3.73 113.70 111.38 1t8d s SER 64 Ca 0.00 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 1t8d s SER 64 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1t8d s SER 64 CO 0.00 -0.48 -0.05 0.26 0.98 0.00 0.00 173.24 173.95 1t8d s TRP 65 N -3.59 3.00 0.37 5.02 0.51 -1.24 -1.86 118.94 121.16 1t8d s TRP 65 Ca 0.17 -0.25 0.08 0.00 -2.12 0.00 0.00 56.10 53.97 1t8d s TRP 65 Cb 0.05 -1.90 -0.04 0.00 -0.81 0.00 0.00 33.47 30.77 1t8d s TRP 65 CO -0.01 0.03 0.19 0.96 -0.51 0.00 0.00 176.95 177.62 1t8d s ILE 66 N 0.11 2.76 -0.61 2.03 -4.36 -1.25 -4.16 121.20 115.72 1t8d s ILE 66 Ca -0.01 -1.63 -0.06 0.00 -0.26 0.00 0.00 60.65 58.69 1t8d s ILE 66 Cb -0.14 -2.99 -0.13 0.00 1.25 0.00 0.00 42.46 40.46 1t8d s ILE 66 CO 0.03 -0.10 2.56 0.61 0.24 0.00 0.00 174.94 178.28 1t8d n GLY 67 N -1.24 2.99 3.10 6.27 0.00 -1.18 -4.68 105.19 110.45 1t8d n GLY 67 Ca -0.01 -0.97 -0.29 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 0.06 1.83 -0.04 0.99 1.98 -1.26 -1.68 118.68 120.56 1t8d s LEU 68 Ca 0.49 -0.44 -0.02 0.00 -2.89 0.00 0.00 54.13 51.28 1t8d s LEU 68 Cb 0.18 -1.12 0.03 0.00 0.66 0.00 0.00 46.19 45.93 1t8d s LEU 68 CO -0.02 0.07 0.04 -0.60 -1.89 0.00 0.00 176.35 173.95 1t8d s ARG 69 N 0.70 0.07 -0.02 1.98 3.00 0.12 -3.40 118.95 121.39 1t8d s ARG 69 Ca -0.13 0.30 -0.20 0.00 -1.00 0.00 0.00 55.73 54.70 1t8d s ARG 69 Cb -0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 34.95 34.17 1t8d s ARG 69 CO 0.03 -0.30 0.58 1.21 0.00 0.00 0.00 175.30 176.82 1t8d s ASN 70 N 1.98 6.93 0.18 -2.12 3.84 -0.23 -0.80 114.94 124.71 1t8d s ASN 70 Ca 0.03 1.11 -0.31 0.00 0.21 0.00 0.00 52.86 53.90 1t8d s ASN 70 Cb -0.12 -2.35 -0.09 0.00 -0.55 0.00 0.00 41.25 38.14 1t8d s ASN 70 CO -0.03 0.08 1.38 -0.76 -2.79 0.00 0.00 177.10 174.97 1t8d s LEU 71 N -0.04 4.39 0.00 3.21 1.43 -1.05 -4.57 118.68 122.05 1t8d s LEU 71 Ca 0.31 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1t8d s LEU 71 Cb -0.18 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1t8d s LEU 71 CO 0.16 -0.62 0.00 0.47 0.23 0.00 0.00 176.35 176.59 1t8d n ASP 72 N 3.08 0.00 0.19 2.29 9.92 -1.26 -3.07 116.55 127.70 1t8d n ASP 72 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1t8d n ASP 72 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.00 -3.39 -0.51 0.64 -0.00 -1.26 -4.78 117.00 107.70 1t8d n LEU 73 Ca 0.00 0.77 0.07 0.00 -0.00 0.00 0.00 56.01 56.85 1t8d n LEU 73 Cb 0.00 3.24 0.25 0.00 -0.00 0.00 0.00 43.42 46.91 1t8d n LEU 73 CO 0.00 0.20 0.69 2.29 -0.00 0.00 0.00 177.39 180.57 1t8d n LYS 74 N -3.29 1.65 0.00 1.47 2.85 -1.26 -4.34 118.16 115.25 1t8d n LYS 74 Ca 0.00 -1.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 1t8d n LYS 74 Cb 0.00 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1t8d n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t8d n GLY 75 N 1.02 -0.42 3.24 2.58 0.00 -1.17 -5.08 105.19 105.36 1t8d n GLY 75 Ca 0.13 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 1t8d n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 76 N 0.00 1.01 -0.10 1.61 2.02 -1.26 -4.92 118.70 117.06 1t8d s GLU 76 Ca 0.00 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 1t8d s GLU 76 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1t8d s GLU 76 CO 0.00 0.27 1.44 -0.59 0.02 0.00 0.00 175.26 176.40 1t8d s PHE 77 N -1.22 2.48 -0.00 1.61 -0.12 -1.26 -2.53 117.98 116.94 1t8d s PHE 77 Ca 0.03 0.64 0.08 0.00 -0.05 0.00 0.00 56.93 57.64 1t8d s PHE 77 Cb -0.10 -3.70 -0.02 0.00 -0.63 0.00 0.00 43.02 38.57 1t8d s PHE 77 CO 0.03 -2.70 -0.26 0.42 -0.05 0.00 0.00 175.22 172.67 1t8d s ILE 78 N 3.58 2.05 0.48 -4.49 1.01 0.01 -2.61 121.20 121.25 1t8d s ILE 78 Ca 0.64 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 1t8d s ILE 78 Cb -0.28 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 1t8d s ILE 78 CO 0.22 0.52 1.06 0.26 0.00 0.00 0.00 174.94 177.00 1t8d s TRP 79 N -0.65 2.98 0.62 3.97 0.52 -0.05 0.16 118.94 126.49 1t8d s TRP 79 Ca 0.10 1.58 0.34 0.00 0.02 0.00 0.00 56.10 58.14 1t8d s TRP 79 Cb -0.10 -3.12 1.99 0.00 -1.15 0.00 0.00 33.47 31.09 1t8d s TRP 79 CO -0.00 -0.93 2.27 -0.24 0.02 0.00 0.00 176.95 178.07 1t8d h VAL 80 N 1.62 0.35 0.00 4.03 3.04 -1.64 0.30 116.25 123.95 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 1.23 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1t8d h VAL 80 CO 0.59 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.48 1t8d n ASP 81 N -3.60 0.00 -0.09 3.17 2.03 -1.26 -4.87 116.55 111.93 1t8d n ASP 81 Ca -0.03 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1t8d n ASP 81 Cb 0.11 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.96 1.04 2.85 0.27 0.00 0.11 -5.08 105.19 105.34 1t8d n GLY 82 Ca 0.13 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.58 1.84 0.50 1.61 0.15 -1.21 -4.91 113.70 109.10 1t8d s SER 83 Ca 0.00 -0.20 -0.23 0.00 0.70 0.00 0.00 55.95 56.22 1t8d s SER 83 Cb 0.00 -0.65 -0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1t8d s SER 83 CO 0.00 -0.14 1.18 0.00 1.20 0.00 0.00 173.24 175.48 1t8d n HIS 84 N 4.92 1.70 -1.67 3.44 1.44 -1.26 -0.87 115.22 122.92 1t8d n HIS 84 Ca -0.11 0.48 -0.37 0.00 -2.01 0.00 0.00 57.72 55.70 1t8d n HIS 84 Cb 0.50 -2.29 0.06 0.00 0.12 0.00 0.00 29.99 28.38 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 -0.85 4.28 0.01 0.61 0.31 -1.07 -4.80 118.33 116.81 1t8d n VAL 85 Ca 0.10 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1t8d n VAL 85 Cb 0.43 -1.33 -0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 -1.29 0.78 -0.09 4.52 8.00 -1.26 -4.93 116.55 122.28 1t8d n ASP 86 Ca 0.15 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 1t8d n ASP 86 Cb 0.47 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 1t8d n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t8d n TYR 87 N -3.23 0.83 -1.49 1.24 4.01 -1.26 -5.10 117.16 112.16 1t8d n TYR 87 Ca -0.02 0.30 0.18 0.00 -0.16 0.00 0.00 57.90 58.20 1t8d n TYR 87 Cb 0.08 -1.09 -0.09 0.00 -0.31 0.00 0.00 39.34 37.93 1t8d n TYR 87 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1t8d n SER 88 N -4.16 -8.32 0.00 7.72 7.64 -1.26 -4.92 113.62 110.31 1t8d n SER 88 Ca -0.37 1.37 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1t8d n SER 88 Cb 0.81 -5.03 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 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 -4.40 4.35 -0.79 6.43 3.02 -1.26 -5.07 115.26 117.54 1t8d n ASN 89 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1t8d n ASN 89 Cb 0.70 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1t8d n ASN 89 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1t8d n TRP 90 N -2.00 0.00 -1.24 3.10 7.02 -1.26 -4.40 117.44 118.66 1t8d n TRP 90 Ca 0.00 0.00 -0.58 0.00 -1.02 0.00 0.00 57.50 55.90 1t8d n TRP 90 Cb 0.46 -0.26 -0.11 0.00 -2.42 0.00 0.00 31.31 28.98 1t8d n TRP 90 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1t8d n ALA 91 N 1.41 0.02 0.37 6.99 0.00 0.11 -4.78 120.51 124.62 1t8d n ALA 91 Ca 0.00 0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1t8d n ALA 91 Cb 0.00 -1.95 0.50 0.00 0.00 0.00 0.00 19.45 18.01 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 8.04 0.00 -0.98 0.00 0.11 -1.88 -3.14 132.00 134.15 1t8d h PRO 92 Ca -0.13 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.81 1t8d h PRO 92 Cb 1.34 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.35 1t8d h PRO 92 CO 1.02 0.00 0.21 0.41 -0.21 0.00 0.00 178.00 179.43 1t8d n GLY 93 N 0.36 2.79 2.22 -0.55 0.00 -1.26 -4.34 105.19 104.41 1t8d n GLY 93 Ca 0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1t8d n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t8d n GLU 94 N -0.06 0.92 0.03 1.61 -0.58 -1.19 -4.93 120.64 116.45 1t8d n GLU 94 Ca 0.20 -3.37 0.11 0.00 -0.42 0.00 0.00 57.16 53.68 1t8d n GLU 94 Cb 0.88 -1.40 0.47 0.00 -0.57 0.00 0.00 31.44 30.82 1t8d n GLU 94 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1t8d n PRO 95 N 1.11 0.06 -1.99 3.49 -0.04 -1.26 -4.83 135.00 131.54 1t8d n PRO 95 Ca 0.23 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 1t8d n PRO 95 Cb 0.55 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1t8d n PRO 95 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1t8d s THR 96 N -3.05 2.48 0.00 0.52 -4.23 -1.26 -4.77 115.64 105.32 1t8d s THR 96 Ca 0.10 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1t8d s THR 96 Cb 0.14 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1t8d s THR 96 CO 0.43 0.10 0.00 -1.20 -0.54 0.00 0.00 174.62 173.41 1t8d n SER 97 N 1.13 -4.48 0.00 3.99 7.64 -1.26 -4.91 113.62 115.73 1t8d n SER 97 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1t8d n SER 97 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1t8d n SER 97 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1t8d n ARG 98 N -1.26 0.00 -3.49 1.43 1.74 -1.26 -5.10 116.66 108.72 1t8d n ARG 98 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1t8d n ARG 98 Cb 0.00 -0.18 -0.06 0.00 -1.02 0.00 0.00 32.46 31.20 1t8d n ARG 98 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1t8d s SER 99 N -1.13 -0.56 -0.06 0.55 0.15 -1.26 -5.01 113.70 106.38 1t8d s SER 99 Ca 0.00 0.93 0.08 0.00 0.70 0.00 0.00 55.95 57.67 1t8d s SER 99 Cb 0.00 1.67 0.13 0.00 -1.71 0.00 0.00 66.02 66.11 1t8d s SER 99 CO 0.00 -0.25 1.02 0.00 1.20 0.00 0.00 173.24 175.21 1t8d n GLN 100 N 5.41 1.56 0.00 5.44 10.64 -1.26 -5.02 117.38 134.15 1t8d n GLN 100 Ca -0.07 -1.81 0.00 0.00 -1.83 0.00 0.00 57.00 53.29 1t8d n GLN 100 Cb 0.50 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.77 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 -0.80 1.22 1.31 2.61 0.00 -1.26 -4.81 105.19 103.46 1t8d n GLY 101 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -3.68 0.00 1.61 1.02 -1.26 -3.98 120.64 114.34 1t8d n GLU 102 Ca 0.00 2.66 0.00 0.00 -0.02 0.00 0.00 57.16 59.80 1t8d n GLU 102 Cb 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.49 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 0.17 0.00 -3.57 1.62 2.03 -1.24 -4.11 116.55 111.44 1t8d n ASP 103 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1t8d n ASP 103 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -2.78 2.78 0.38 0.00 1.01 -1.22 -2.13 120.40 118.45 1t8d s VAL 105 Ca 0.08 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1t8d s VAL 105 Cb -0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 1t8d s VAL 105 CO -0.06 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1t8d s MET 106 N -0.03 1.98 -0.08 2.72 0.23 0.31 -3.92 119.30 120.51 1t8d s MET 106 Ca -0.05 -1.96 0.03 0.00 -1.03 0.00 0.00 55.69 52.68 1t8d s MET 106 Cb -0.14 -1.75 0.01 0.00 -1.53 0.00 0.00 34.83 31.41 1t8d s MET 106 CO 0.04 0.03 -0.19 1.41 -2.03 0.00 0.00 175.02 174.28 1t8d s MET 107 N -3.71 2.45 0.00 3.16 -2.45 -0.78 0.12 119.30 118.10 1t8d s MET 107 Ca 0.35 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 1t8d s MET 107 Cb 0.05 -1.90 0.00 0.00 1.25 0.00 0.00 34.83 34.23 1t8d s MET 107 CO 0.18 0.11 0.00 -2.13 1.05 0.00 0.00 175.02 174.24 1t8d n ARG 108 N 3.65 -0.68 0.00 4.11 0.63 -0.67 -2.16 116.66 121.55 1t8d n ARG 108 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1t8d n ARG 108 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1t8d n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t8d n GLY 109 N 0.00 1.30 1.27 5.14 0.00 -1.26 -2.73 105.19 108.91 1t8d n GLY 109 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 10.66 3.32 -2.78 1.61 7.64 -1.26 -4.78 113.62 128.04 1t8d n SER 110 Ca 0.00 -2.35 -0.21 0.00 1.01 0.00 0.00 58.87 57.33 1t8d n SER 110 Cb 0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 64.21 62.63 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 0.22 -0.42 0.00 0.23 0.00 -1.11 -4.97 105.19 99.15 1t8d n GLY 111 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.76 2.23 -4.07 1.61 -4.01 -1.12 -4.76 116.66 102.77 1t8d n ARG 112 Ca -0.10 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.49 1t8d n ARG 112 Cb 0.61 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.98 1t8d n ARG 112 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 1t8d s TRP 113 N 1.48 2.99 -0.04 2.89 0.52 -1.26 -1.67 118.94 123.85 1t8d s TRP 113 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 56.10 55.92 1t8d s TRP 113 Cb 0.00 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.88 1t8d s TRP 113 CO 0.00 0.45 0.05 -0.80 0.02 0.00 0.00 176.95 176.67 1t8d s ASN 114 N -3.85 1.02 -0.64 2.95 -0.87 0.33 0.04 114.94 113.92 1t8d s ASN 114 Ca 0.35 0.06 -0.13 0.00 -1.57 0.00 0.00 52.86 51.56 1t8d s ASN 114 Cb -0.07 -0.16 0.16 0.00 -0.02 0.00 0.00 41.25 41.16 1t8d s ASN 114 CO 0.24 -0.22 0.57 -0.62 -2.57 0.00 0.00 177.10 174.50 1t8d s ASP 115 N 1.98 6.25 0.17 -1.22 -1.08 -1.26 -0.53 116.67 120.97 1t8d s ASP 115 Ca 0.03 -2.22 -0.19 0.00 -0.52 0.00 0.00 52.55 49.65 1t8d s ASP 115 Cb -0.12 -2.15 0.04 0.00 -1.46 0.00 0.00 42.92 39.23 1t8d s ASP 115 CO -0.03 -0.69 0.52 0.00 0.52 0.00 0.00 175.17 175.49 1t8d s ALA 116 N 0.91 -1.17 0.95 3.66 0.00 -0.90 -4.79 121.76 120.42 1t8d s ALA 116 Ca 0.10 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1t8d s ALA 116 Cb -0.21 0.82 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 1t8d s ALA 116 CO -0.02 -0.75 -0.33 0.34 0.00 0.00 0.00 175.76 174.99 1t8d n PHE 117 N -0.32 -3.75 -1.40 0.00 7.35 -1.26 -3.07 117.46 115.01 1t8d n PHE 117 Ca -0.14 0.09 -0.40 0.00 -0.76 0.00 0.00 57.45 56.24 1t8d n PHE 117 Cb 0.64 -1.58 -0.02 0.00 0.35 0.00 0.00 39.48 38.87 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1t8d n ASP 119 N 5.79 1.00 -0.38 0.00 2.03 -1.26 -4.95 116.55 118.77 1t8d n ASP 119 Ca 0.55 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 53.42 1t8d n ASP 119 Cb 0.34 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1t8d n ARG 120 N -0.11 3.66 -2.67 -0.67 3.00 -1.26 -5.08 116.66 113.53 1t8d n ARG 120 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1t8d n ARG 120 Cb 0.90 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.47 1t8d n ARG 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1t8d n LYS 121 N 0.00 0.24 -0.20 -0.14 4.81 -1.26 -5.12 118.16 116.50 1t8d n LYS 121 Ca 0.00 -0.85 0.00 0.00 -0.87 0.00 0.00 58.31 56.59 1t8d n LYS 121 Cb 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 34.79 1t8d n LYS 121 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1t8d n LEU 122 N 0.53 0.00 0.00 3.14 4.32 -1.26 -4.92 117.00 118.81 1t8d n LEU 122 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1t8d n LEU 122 Cb 0.75 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 1t8d n LEU 122 CO -0.09 -0.39 0.01 0.61 -1.22 0.00 0.00 177.39 176.31 1t8d n GLY 123 N 5.00 0.76 2.96 -0.72 0.00 -1.26 -4.84 105.19 107.09 1t8d n GLY 123 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.99 -0.15 4.61 0.00 -1.22 -0.69 121.76 125.29 1t8d s ALA 124 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1t8d s ALA 124 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1t8d s ALA 124 CO 0.00 0.05 0.09 1.67 0.00 0.00 0.00 175.76 177.57 1t8d s TRP 125 N 0.79 3.38 -0.05 0.00 -2.14 -0.06 -3.62 118.94 117.23 1t8d s TRP 125 Ca -0.13 0.28 0.01 0.00 2.66 0.00 0.00 56.10 58.93 1t8d s TRP 125 Cb -0.15 -2.01 0.02 0.00 -3.10 0.00 0.00 33.47 28.23 1t8d s TRP 125 CO 0.02 0.41 -0.06 0.54 -2.66 0.00 0.00 176.95 175.20 1t8d s VAL 126 N -0.25 0.70 0.11 -0.66 0.11 -1.24 -1.44 120.40 117.73 1t8d s VAL 126 Ca 0.09 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1t8d s VAL 126 Cb -0.12 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1t8d s VAL 126 CO 0.01 0.27 0.07 0.00 -3.33 0.00 0.00 175.10 172.12 1t8d s ASP 128 N -2.99 2.50 0.05 0.00 -4.77 0.14 0.23 116.67 111.84 1t8d s ASP 128 Ca 0.18 -0.47 -0.20 0.00 -3.30 0.00 0.00 52.55 48.75 1t8d s ASP 128 Cb 0.07 -0.24 0.04 0.00 -1.09 0.00 0.00 42.92 41.71 1t8d s ASP 128 CO -0.02 0.20 0.47 -0.60 0.70 0.00 0.00 175.17 175.92 1t8d s ARG 129 N -0.92 1.00 0.44 2.11 3.52 -0.18 0.79 118.95 125.70 1t8d s ARG 129 Ca 0.08 -0.32 -0.25 0.00 -0.13 0.00 0.00 55.73 55.11 1t8d s ARG 129 Cb -0.09 0.45 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 1t8d s ARG 129 CO 0.01 -0.36 1.27 -0.51 -0.81 0.00 0.00 175.30 174.90 1t8d s LEU 130 N -2.06 4.12 0.08 -0.88 1.43 -1.26 0.48 118.68 120.59 1t8d s LEU 130 Ca -0.05 2.56 -0.37 0.00 -1.03 0.00 0.00 54.13 55.25 1t8d s LEU 130 Cb -0.01 -4.04 -0.17 0.00 0.03 0.00 0.00 46.19 42.00 1t8d s LEU 130 CO -0.03 -0.95 1.23 0.00 0.23 0.00 0.00 176.35 176.83 1t8d n ALA 131 N -0.18 -1.59 -3.81 4.21 0.00 -0.73 -4.69 120.51 113.71 1t8d n ALA 131 Ca 0.05 0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1t8d n ALA 131 Cb 0.45 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 1t8d n ALA 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1t8d n THR 132 N 2.05 0.00 -0.00 0.00 -1.04 -1.26 -4.93 114.28 109.09 1t8d n THR 132 Ca 0.18 -0.89 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1t8d n THR 132 Cb 0.18 0.33 -0.01 0.00 -1.82 0.00 0.00 70.33 69.01 1t8d n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t8d n THR 134 N -1.72 -9.80 -0.97 0.00 -1.04 -1.26 -4.82 114.28 94.67 1t8d n THR 134 Ca -0.01 0.92 -0.34 0.00 -2.04 0.00 0.00 64.05 62.59 1t8d n THR 134 Cb 0.21 -6.49 0.12 0.00 -1.82 0.00 0.00 70.33 62.35 1t8d n THR 134 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1t8d n PRO 135 N -0.05 -0.04 -1.81 -2.82 -0.02 -1.26 -4.83 135.00 124.17 1t8d n PRO 135 Ca 0.06 0.05 -0.39 0.00 -2.02 0.00 0.00 63.50 61.20 1t8d n PRO 135 Cb 0.42 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1t8d n PRO 135 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1t8d s PRO 136 N -3.68 2.66 2.08 0.52 0.04 -1.26 -4.79 135.00 130.58 1t8d s PRO 136 Ca 0.65 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1t8d s PRO 136 Cb -0.27 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1t8d s PRO 136 CO 0.60 -2.65 0.00 0.00 0.04 0.00 0.00 177.00 174.98 1t8d n ALA 137 N 13.17 0.00 -2.53 8.56 0.00 -1.26 -4.78 120.51 133.67 1t8d n ALA 137 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 1t8d n ALA 137 Cb 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 1t8d n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1t8d s SER 138 N -4.00 4.30 -0.32 0.00 0.01 -1.26 -5.06 113.70 107.36 1t8d s SER 138 Ca 0.00 -0.15 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1t8d s SER 138 Cb 0.00 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1t8d s SER 138 CO 0.00 0.34 1.95 -0.70 0.41 0.00 0.00 173.24 175.24 1t8d s GLU 139 N -0.89 3.17 0.00 12.44 2.56 -1.26 -3.73 118.70 130.99 1t8d s GLU 139 Ca 0.13 1.56 0.00 0.00 0.00 0.00 0.00 54.97 56.65 1t8d s GLU 139 Cb -0.11 -4.28 0.00 0.00 2.00 0.00 0.00 34.13 31.74 1t8d s GLU 139 CO 0.02 -2.05 0.00 0.41 -0.56 0.00 0.00 175.26 173.08 1t8d n GLY 140 N 5.57 2.08 3.00 -1.50 0.00 -1.26 -4.74 105.19 108.34 1t8d n GLY 140 Ca 0.25 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1t8d n GLY 140 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t8d n SER 141 N 3.75 -5.22 -4.45 1.61 2.88 -1.24 -4.90 113.62 106.04 1t8d n SER 141 Ca 0.00 -0.24 -0.44 0.00 -1.33 0.00 0.00 58.87 56.86 1t8d n SER 141 Cb 0.00 -4.26 -0.03 0.00 -0.75 0.00 0.00 64.21 59.17 1t8d n SER 141 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8d s ALA 142 N -3.04 3.33 -2.40 -1.46 0.00 -1.26 -5.13 121.76 111.80 1t8d s ALA 142 Ca 0.27 -2.63 0.29 0.00 0.00 0.00 0.00 51.96 49.89 1t8d s ALA 142 Cb -0.13 -4.01 1.23 0.00 0.00 0.00 0.00 23.12 20.21 1t8d s ALA 142 CO 0.34 -2.94 1.84 -0.85 0.00 0.00 0.00 175.76 174.15