#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 2.92 3.67 5.00 0.00 -1.25 -4.81 105.19 110.72 1t8d n GLY 2 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.47 3.40 0.00 1.61 0.08 -1.26 -4.77 117.98 114.57 1t8d s PHE 3 Ca 0.00 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.13 1t8d s PHE 3 Cb 0.00 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1t8d s PHE 3 CO 0.00 -0.20 0.00 1.33 -0.10 0.00 0.00 175.22 176.25 1t8d n VAL 4 N 4.70 0.00 0.00 -0.44 0.24 -1.26 -4.99 118.33 116.58 1t8d n VAL 4 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1t8d n VAL 4 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1t8d n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t8d n ASN 6 N -0.82 -3.17 -0.10 0.00 2.85 -1.26 -4.93 115.26 107.82 1t8d n ASN 6 Ca 0.00 -0.31 0.08 0.00 -0.11 0.00 0.00 54.58 54.25 1t8d n ASN 6 Cb 0.00 -2.65 0.43 0.00 1.24 0.00 0.00 39.78 38.80 1t8d n ASN 6 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1t8d h THR 7 N -0.67 0.98 -2.86 -0.44 1.03 -1.91 -3.39 112.91 105.65 1t8d h THR 7 Ca -0.28 -0.19 -0.56 0.00 -0.01 0.00 0.00 66.41 65.37 1t8d h THR 7 Cb 1.15 0.37 -0.04 0.00 -1.07 0.00 0.00 68.15 68.55 1t8d h THR 7 CO 0.22 0.10 1.18 0.00 -0.01 0.00 0.00 175.52 177.01 1t8d n PRO 9 N 8.40 0.00 0.00 0.00 -0.04 -1.26 -4.85 135.00 137.25 1t8d n PRO 9 Ca 0.19 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1t8d n PRO 9 Cb 0.48 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 1t8d n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t8d n GLU 10 N -1.98 0.00 0.03 0.54 2.13 -1.26 -4.87 120.64 115.22 1t8d n GLU 10 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1t8d n GLU 10 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1t8d n GLU 10 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1t8d h LYS 11 N 0.00 -0.17 -5.21 5.31 -0.00 -1.96 -3.42 116.57 111.13 1t8d h LYS 11 Ca 0.00 0.01 -0.66 0.00 -0.00 0.00 0.00 60.65 60.00 1t8d h LYS 11 Cb 0.00 0.04 0.05 0.00 -0.00 0.00 0.00 32.23 32.32 1t8d h LYS 11 CO 0.00 -0.11 -0.05 0.91 -0.00 0.00 0.00 179.45 180.20 1t8d n TRP 12 N -3.13 0.35 -4.35 0.07 8.01 -1.26 -4.54 117.44 112.59 1t8d n TRP 12 Ca -0.02 0.90 -0.25 0.00 -1.31 0.00 0.00 57.50 56.82 1t8d n TRP 12 Cb 0.09 -1.79 -0.17 0.00 -2.01 0.00 0.00 31.31 27.44 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 -0.18 1.10 0.11 -0.99 1.01 0.24 -4.08 121.20 118.40 1t8d s ILE 13 Ca 0.74 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1t8d s ILE 13 Cb -1.04 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1t8d s ILE 13 CO 0.49 0.36 0.13 0.21 0.00 0.00 0.00 174.94 176.14 1t8d s ASN 14 N 1.01 5.73 0.00 3.58 3.84 -1.26 0.90 114.94 128.74 1t8d s ASN 14 Ca -0.08 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.01 1t8d s ASN 14 Cb -0.15 -1.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.97 1t8d s ASN 14 CO -0.00 0.13 0.00 0.49 -2.79 0.00 0.00 177.10 174.93 1t8d n PHE 15 N 0.12 0.00 -0.20 0.43 3.72 0.14 -4.96 117.46 116.71 1t8d n PHE 15 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1t8d n PHE 15 Cb 0.53 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.14 0.00 -1.08 1.08 -1.97 -3.40 115.11 109.88 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 -5.25 0.00 -4.29 1.46 0.00 -1.26 -3.75 116.66 103.57 1t8d n ARG 17 Ca 0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.69 1t8d n ARG 17 Cb 0.35 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.73 1t8d n ARG 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1t8d s LYS 18 N 0.00 2.18 0.22 2.89 -2.85 -1.26 -2.88 119.74 118.03 1t8d s LYS 18 Ca 0.00 -1.33 0.05 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 33.56 1t8d s LYS 18 CO 0.00 0.40 -0.06 0.00 0.10 0.00 0.00 175.35 175.80 1t8d s TYR 20 N -3.26 1.85 -0.20 0.00 1.51 0.26 -1.53 117.35 115.97 1t8d s TYR 20 Ca 0.25 -0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1t8d s TYR 20 Cb 0.04 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1t8d s TYR 20 CO 0.07 0.31 -0.11 0.71 -1.11 0.00 0.00 175.55 175.42 1t8d s TYR 21 N -1.77 2.89 -0.41 2.71 2.02 0.61 -0.60 117.35 122.81 1t8d s TYR 21 Ca 0.13 -1.26 0.09 0.00 -0.37 0.00 0.00 57.07 55.67 1t8d s TYR 21 Cb -0.07 -2.03 0.42 0.00 -0.40 0.00 0.00 41.96 39.88 1t8d s TYR 21 CO 0.06 -0.66 1.02 1.19 -1.57 0.00 0.00 175.55 175.58 1t8d n PHE 22 N 4.72 2.57 -2.31 2.71 3.72 -1.26 -1.63 117.46 125.99 1t8d n PHE 22 Ca -0.19 -3.16 -0.27 0.00 -0.05 0.00 0.00 57.45 53.78 1t8d n PHE 22 Cb 0.50 -0.24 0.16 0.00 -0.94 0.00 0.00 39.48 38.97 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 -3.33 1.78 -0.03 1.37 0.00 -0.34 -4.67 107.32 102.10 1t8d s GLY 23 Ca 0.41 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.55 1t8d s GLY 23 CO -0.11 -0.91 -0.18 -1.59 0.00 0.00 0.00 173.10 170.32 1t8d s LYS 24 N -5.55 1.60 0.00 2.90 -2.85 -1.26 -0.17 119.74 114.42 1t8d s LYS 24 Ca 0.72 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1t8d s LYS 24 Cb -0.03 -1.47 0.00 0.00 -2.06 0.00 0.00 37.83 34.27 1t8d s LYS 24 CO 0.49 0.32 0.00 0.41 0.10 0.00 0.00 175.35 176.68 1t8d n GLY 25 N 2.86 1.06 0.00 0.59 0.00 -0.67 -4.82 105.19 104.21 1t8d n GLY 25 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.08 2.61 -2.24 -1.26 -4.72 114.28 108.75 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 0.29 -0.57 0.00 0.00 175.07 174.79 1t8d n LYS 27 N 0.00 0.00 -1.25 -0.78 5.02 -1.26 -4.92 118.16 114.97 1t8d n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1t8d n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1t8d n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1t8d n GLN 28 N -3.02 1.31 -0.01 1.97 1.13 -1.26 -4.58 117.38 112.92 1t8d n GLN 28 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1t8d n GLN 28 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 1t8d n GLN 28 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1t8d h TRP 29 N 0.62 0.09 -0.59 1.08 7.01 -1.98 -2.74 115.95 119.45 1t8d h TRP 29 Ca 0.00 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.13 1t8d h TRP 29 Cb 0.00 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1t8d h TRP 29 CO 0.00 0.32 0.41 -0.39 -2.79 0.00 0.00 178.44 175.99 1t8d h VAL 30 N -0.17 0.78 0.00 2.65 -1.51 -1.99 0.33 116.25 116.34 1t8d h VAL 30 Ca 0.01 -0.06 -0.09 0.00 -1.23 0.00 0.00 66.70 65.34 1t8d h VAL 30 Cb 0.28 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1t8d h VAL 30 CO 0.00 0.03 -0.43 -0.74 -1.23 0.00 0.00 177.57 175.20 1t8d h HIS 31 N 0.17 0.00 -0.02 5.19 2.76 -1.89 -2.28 115.15 119.07 1t8d h HIS 31 Ca 0.28 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1t8d h HIS 31 Cb 0.88 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 1t8d h HIS 31 CO -0.00 0.43 -0.04 0.00 -1.30 0.00 0.00 177.93 177.02 1t8d h ALA 32 N 1.57 0.04 -0.80 5.26 0.00 -0.12 -2.02 119.26 123.18 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 0.86 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1t8d h ALA 32 CO 0.06 -0.16 0.46 0.07 0.00 0.00 0.00 179.25 179.68 1t8d h ARG 33 N -0.45 1.11 -0.48 0.00 -0.00 -1.45 -0.96 114.38 112.14 1t8d h ARG 33 Ca 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 59.98 59.83 1t8d h ARG 33 Cb 0.59 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 1t8d h ARG 33 CO 0.01 0.80 0.16 -0.92 -0.00 0.00 0.00 179.97 180.01 1t8d h TYR 34 N 1.12 0.71 -0.43 4.08 5.03 -1.40 -1.33 116.97 124.75 1t8d h TYR 34 Ca 0.29 -0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.46 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 0.58 -0.11 0.00 -1.32 0.00 0.00 178.16 177.31 1t8d h ALA 35 N 1.48 1.00 -0.16 1.82 0.00 -0.45 -2.64 119.26 120.32 1t8d h ALA 35 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1t8d h ALA 35 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1t8d h ALA 35 CO -0.01 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.87 1t8d h ASP 37 N 0.10 0.50 0.87 0.00 5.19 -1.16 0.60 116.42 122.53 1t8d h ASP 37 Ca 0.07 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1t8d h ASP 37 Cb 0.06 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1t8d h ASP 37 CO -0.09 0.30 -0.24 -0.78 -3.12 0.00 0.00 179.24 175.31 1t8d h ASP 38 N 0.56 0.00 -0.01 6.45 3.58 -0.92 -2.64 116.42 123.43 1t8d h ASP 38 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1t8d h ASP 38 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1t8d h ASP 38 CO -0.10 0.24 -0.63 0.23 -2.88 0.00 0.00 179.24 176.10 1t8d n MET 39 N -3.43 0.88 -2.90 0.28 2.81 0.60 -4.99 117.12 110.37 1t8d n MET 39 Ca -0.00 -0.70 -0.11 0.00 -1.81 0.00 0.00 57.70 55.08 1t8d n MET 39 Cb 0.43 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.46 -4.14 0.00 0.03 1.02 0.18 -4.93 120.64 112.33 1t8d n GLU 40 Ca 0.08 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1t8d n GLU 40 Cb 0.42 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 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 -1.11 3.74 3.44 0.62 0.00 -0.54 -4.60 105.19 106.73 1t8d n GLY 41 Ca -0.16 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 3.57 1.23 -0.37 1.61 2.00 0.25 -4.76 119.66 123.18 1t8d s GLN 42 Ca 0.00 -0.45 -0.29 0.00 -2.00 0.00 0.00 55.36 52.62 1t8d s GLN 42 Cb 0.00 0.56 0.01 0.00 0.80 0.00 0.00 33.01 34.38 1t8d s GLN 42 CO 0.00 -0.54 1.32 -1.17 -0.50 0.00 0.00 175.29 174.40 1t8d s LEU 43 N -2.72 3.73 0.00 3.68 2.96 -1.26 0.16 118.68 125.24 1t8d s LEU 43 Ca 0.02 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 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 -1.23 0.00 1.33 -1.32 0.00 0.00 176.35 175.00 1t8d n VAL 44 N 6.62 0.00 -2.95 1.68 0.24 -1.25 -3.14 118.33 119.53 1t8d n VAL 44 Ca 0.15 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.33 1t8d n VAL 44 Cb 0.47 0.00 0.06 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 -0.27 -3.54 -4.59 -1.34 2.88 -1.26 -4.63 113.62 100.88 1t8d n SER 45 Ca 0.00 -0.49 -0.44 0.00 -1.33 0.00 0.00 58.87 56.61 1t8d n SER 45 Cb 0.00 -3.97 -0.01 0.00 -0.75 0.00 0.00 64.21 59.48 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 -3.09 2.04 -0.54 2.46 -0.00 -1.26 -4.83 119.36 114.14 1t8d n ILE 46 Ca -0.14 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1t8d n ILE 46 Cb 0.61 -1.02 0.00 0.00 -0.00 0.00 0.00 39.64 39.23 1t8d n ILE 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t8d n HIS 47 N 0.09 0.00 -4.24 4.28 1.44 -1.26 -4.92 115.22 110.61 1t8d n HIS 47 Ca 0.09 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.48 1t8d n HIS 47 Cb 0.33 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 1t8d n HIS 47 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1t8d s SER 48 N -0.04 3.00 0.57 4.39 0.01 -1.26 -4.89 113.70 115.47 1t8d s SER 48 Ca 0.00 -0.60 0.35 0.00 1.31 0.00 0.00 55.95 57.02 1t8d s SER 48 Cb 0.00 -1.39 1.46 0.00 0.21 0.00 0.00 66.02 66.30 1t8d s SER 48 CO 0.00 0.01 1.71 -0.65 0.41 0.00 0.00 173.24 174.71 1t8d h PRO 49 N 7.80 0.00 -0.07 12.44 0.11 -1.99 0.54 132.00 150.83 1t8d h PRO 49 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1t8d h PRO 49 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t8d h PRO 49 CO 0.59 0.00 -0.30 1.49 -0.21 0.00 0.00 178.00 179.57 1t8d h GLU 50 N 0.00 0.33 -0.25 1.05 4.81 -1.98 -1.96 114.58 116.58 1t8d h GLU 50 Ca 0.53 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1t8d h GLU 50 Cb 2.37 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.79 1t8d h GLU 50 CO -0.01 0.89 0.10 0.93 -0.73 0.00 0.00 179.01 180.20 1t8d h GLU 51 N -0.16 0.37 -1.00 1.92 4.39 -0.39 0.69 114.58 120.40 1t8d h GLU 51 Ca -0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1t8d h GLU 51 Cb 0.94 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1t8d h GLU 51 CO 0.06 0.40 0.66 -0.56 -1.16 0.00 0.00 179.01 178.42 1t8d h GLN 52 N 0.25 1.32 -0.19 2.33 -0.00 -1.24 -0.86 115.11 116.73 1t8d h GLN 52 Ca 0.08 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1t8d h GLN 52 Cb 0.17 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.48 27.34 1t8d h GLN 52 CO -0.01 0.87 -0.45 0.22 -0.00 0.00 0.00 178.83 179.47 1t8d h ASP 53 N 1.36 0.50 0.06 0.06 3.58 -0.98 0.40 116.42 121.39 1t8d h ASP 53 Ca 0.37 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1t8d h ASP 53 Cb -0.15 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.75 1t8d h ASP 53 CO -0.08 0.88 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.85 1t8d h PHE 54 N 0.38 -0.13 -0.07 0.28 0.04 0.17 0.24 116.94 117.85 1t8d h PHE 54 Ca 0.03 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.62 1t8d h PHE 54 Cb 0.94 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 1t8d h PHE 54 CO 0.03 -0.08 -0.71 1.37 -0.60 0.00 0.00 178.31 178.32 1t8d h LEU 55 N -0.12 0.39 -0.90 1.54 8.10 -1.22 -1.59 115.31 121.52 1t8d h LEU 55 Ca 0.00 -0.25 0.01 0.00 0.11 0.00 0.00 57.88 57.74 1t8d h LEU 55 Cb 0.11 -0.12 -0.04 0.00 -0.44 0.00 0.00 40.66 40.17 1t8d h LEU 55 CO -0.01 0.98 0.58 0.74 -4.11 0.00 0.00 178.44 176.62 1t8d h THR 56 N 0.23 1.24 -0.05 0.15 2.02 -0.55 0.56 112.91 116.51 1t8d h THR 56 Ca -0.02 -0.45 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 1t8d h THR 56 Cb 1.27 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1t8d h THR 56 CO 0.12 0.23 -0.79 0.11 0.37 0.00 0.00 175.52 175.56 1t8d h LYS 57 N 1.23 0.38 0.00 6.66 1.57 -0.45 -2.98 116.57 122.98 1t8d h LYS 57 Ca 0.33 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1t8d h LYS 57 Cb -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1t8d h LYS 57 CO -0.07 1.00 -0.32 1.25 -0.57 0.00 0.00 179.45 180.74 1t8d h HIS 58 N 0.25 0.00 -3.01 -1.35 2.76 -0.36 -3.38 115.15 110.06 1t8d h HIS 58 Ca -0.04 0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.41 1t8d h HIS 58 Cb 1.38 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 30.14 1t8d h HIS 58 CO 0.05 0.32 0.31 0.00 -1.30 0.00 0.00 177.93 177.30 1t8d s ALA 59 N -3.84 3.58 -0.17 5.26 0.00 0.19 -4.84 121.76 121.93 1t8d s ALA 59 Ca -0.01 -2.66 -0.16 0.00 0.00 0.00 0.00 51.96 49.12 1t8d s ALA 59 Cb 0.12 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1t8d s ALA 59 CO 0.67 -2.50 -0.32 0.43 0.00 0.00 0.00 175.76 174.04 1t8d n SER 60 N 5.77 1.91 0.06 0.00 7.64 -1.26 -4.51 113.62 123.23 1t8d n SER 60 Ca 0.06 0.38 -0.11 0.00 1.01 0.00 0.00 58.87 60.21 1t8d n SER 60 Cb 0.45 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 1t8d n SER 60 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1t8d h HIS 61 N -1.00 -0.58 -3.87 1.43 3.86 -1.97 -3.45 115.15 109.58 1t8d h HIS 61 Ca 0.00 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.00 1t8d h HIS 61 Cb 0.91 0.25 -0.15 0.00 1.06 0.00 0.00 27.41 29.49 1t8d h HIS 61 CO -0.39 -0.30 -0.68 0.95 0.86 0.00 0.00 177.93 178.36 1t8d s THR 62 N -6.09 0.62 0.00 2.45 -4.23 -1.26 -5.05 115.64 102.08 1t8d s THR 62 Ca -0.15 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1t8d s THR 62 Cb 0.09 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1t8d s THR 62 CO 0.66 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1t8d n GLY 63 N -0.09 -2.70 3.18 3.99 0.00 -1.26 -4.63 105.19 103.68 1t8d n GLY 63 Ca -0.10 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.67 1.29 -0.17 1.61 1.04 -1.08 -3.85 113.70 110.88 1t8d s SER 64 Ca 0.00 -0.93 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 1t8d s SER 64 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1t8d s SER 64 CO 0.00 -0.38 0.07 0.26 0.98 0.00 0.00 173.24 174.17 1t8d s TRP 65 N -3.15 3.31 0.37 5.02 0.51 -1.23 -2.09 118.94 121.67 1t8d s TRP 65 Ca 0.10 0.18 0.08 0.00 -2.12 0.00 0.00 56.10 54.33 1t8d s TRP 65 Cb 0.02 -2.04 -0.05 0.00 -0.81 0.00 0.00 33.47 30.58 1t8d s TRP 65 CO -0.02 0.28 0.10 0.96 -0.51 0.00 0.00 176.95 177.75 1t8d s ILE 66 N 0.07 2.59 -0.53 2.03 -4.36 -1.25 -4.20 121.20 115.54 1t8d s ILE 66 Ca 0.06 -1.82 -0.06 0.00 -0.26 0.00 0.00 60.65 58.58 1t8d s ILE 66 Cb -0.12 -2.91 -0.15 0.00 1.25 0.00 0.00 42.46 40.53 1t8d s ILE 66 CO 0.00 -0.12 2.74 0.61 0.24 0.00 0.00 174.94 178.41 1t8d n GLY 67 N -1.09 3.01 3.06 6.27 0.00 -1.19 -4.67 105.19 110.58 1t8d n GLY 67 Ca -0.03 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 1.72 -0.05 0.99 1.98 -1.26 -1.74 118.68 120.38 1t8d s LEU 68 Ca 0.52 -0.39 -0.02 0.00 -2.89 0.00 0.00 54.13 51.36 1t8d s LEU 68 Cb 0.20 -1.02 0.03 0.00 0.66 0.00 0.00 46.19 46.06 1t8d s LEU 68 CO -0.02 0.04 0.04 -0.60 -1.89 0.00 0.00 176.35 173.92 1t8d s ARG 69 N 0.78 0.12 0.03 1.98 3.00 0.13 -3.37 118.95 121.62 1t8d s ARG 69 Ca -0.12 0.29 -0.18 0.00 -1.00 0.00 0.00 55.73 54.72 1t8d s ARG 69 Cb -0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 34.95 34.11 1t8d s ARG 69 CO 0.02 -0.31 0.51 1.21 0.00 0.00 0.00 175.30 176.73 1t8d s ASN 70 N 2.02 6.95 -0.01 -2.12 3.04 -0.17 -0.34 114.94 124.32 1t8d s ASN 70 Ca 0.04 1.13 -0.30 0.00 0.04 0.00 0.00 52.86 53.76 1t8d s ASN 70 Cb -0.12 -2.32 -0.05 0.00 -1.54 0.00 0.00 41.25 37.23 1t8d s ASN 70 CO -0.04 0.27 1.25 -0.76 -3.04 0.00 0.00 177.10 174.79 1t8d s LEU 71 N -0.95 4.31 0.00 3.21 1.43 -1.08 -4.45 118.68 121.16 1t8d s LEU 71 Ca 0.27 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1t8d s LEU 71 Cb -0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1t8d s LEU 71 CO 0.16 -0.59 0.00 -0.67 0.23 0.00 0.00 176.35 175.49 1t8d n ASP 72 N 4.87 0.00 0.14 2.29 2.03 -1.26 -2.82 116.55 121.79 1t8d n ASP 72 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1t8d n ASP 72 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1t8d n ASP 72 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1t8d n LEU 73 N 0.00 -2.32 -0.54 -2.67 7.94 -1.26 -4.36 117.00 113.79 1t8d n LEU 73 Ca 0.00 0.52 0.07 0.00 -1.11 0.00 0.00 56.01 55.50 1t8d n LEU 73 Cb 0.00 2.35 0.25 0.00 0.53 0.00 0.00 43.42 46.55 1t8d n LEU 73 CO 0.00 -0.08 0.69 0.29 -1.11 0.00 0.00 177.39 177.18 1t8d n LYS 74 N -3.07 1.69 0.00 1.96 5.02 -1.26 -4.85 118.16 117.65 1t8d n LYS 74 Ca 0.00 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 1t8d n LYS 74 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.04 0.27 3.26 0.72 0.00 -1.13 -5.08 105.19 104.28 1t8d n GLY 75 Ca 0.13 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 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 1.66 -0.10 1.61 2.02 -1.26 -4.88 118.70 117.75 1t8d s GLU 76 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 1t8d s GLU 76 Cb 0.00 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1t8d s GLU 76 CO 0.00 0.45 1.47 -0.06 0.02 0.00 0.00 175.26 177.15 1t8d s PHE 77 N -0.65 2.39 -0.01 1.61 0.40 -1.26 -2.62 117.98 117.84 1t8d s PHE 77 Ca 0.09 0.57 0.07 0.00 -0.60 0.00 0.00 56.93 57.06 1t8d s PHE 77 Cb -0.09 -3.73 -0.02 0.00 0.51 0.00 0.00 43.02 39.69 1t8d s PHE 77 CO 0.00 -2.87 -0.23 0.42 0.70 0.00 0.00 175.22 173.25 1t8d s ILE 78 N 3.74 2.37 0.51 0.64 1.01 0.54 -2.57 121.20 127.45 1t8d s ILE 78 Ca 0.65 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 1t8d s ILE 78 Cb -0.28 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 1t8d s ILE 78 CO 0.23 0.53 1.05 0.26 0.00 0.00 0.00 174.94 177.00 1t8d s TRP 79 N -0.70 2.97 0.60 3.97 0.52 0.06 0.21 118.94 126.58 1t8d s TRP 79 Ca 0.11 1.56 0.32 0.00 0.02 0.00 0.00 56.10 58.12 1t8d s TRP 79 Cb -0.10 -3.07 1.93 0.00 -1.15 0.00 0.00 33.47 31.08 1t8d s TRP 79 CO 0.00 -0.93 2.28 -0.24 0.02 0.00 0.00 176.95 178.08 1t8d h VAL 80 N 1.34 0.43 0.00 4.03 3.04 -1.65 0.23 116.25 123.67 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 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 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 -3.71 0.00 -0.10 3.17 2.03 -1.26 -4.87 116.55 111.82 1t8d n ASP 81 Ca -0.03 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1t8d n ASP 81 Cb 0.08 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.87 0.83 2.90 0.27 0.00 0.81 -5.07 105.19 105.79 1t8d n GLY 82 Ca 0.17 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1t8d n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t8d s SER 83 N -2.75 1.84 0.57 1.61 0.01 -1.22 -4.91 113.70 108.86 1t8d s SER 83 Ca 0.00 -0.24 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 1t8d s SER 83 Cb 0.00 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 1t8d s SER 83 CO 0.00 -0.10 1.22 0.00 0.41 0.00 0.00 173.24 174.77 1t8d n HIS 84 N 4.66 1.76 -1.33 2.43 1.44 -1.26 -0.76 115.22 122.15 1t8d n HIS 84 Ca -0.15 0.44 -0.36 0.00 -2.01 0.00 0.00 57.72 55.64 1t8d n HIS 84 Cb 0.50 -2.28 0.07 0.00 0.12 0.00 0.00 29.99 28.41 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 -1.33 2.25 0.00 0.61 0.31 -1.06 -4.80 118.33 114.31 1t8d n VAL 85 Ca 0.12 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1t8d n VAL 85 Cb 0.45 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 -0.65 2.94 -0.07 4.52 9.92 -1.26 -4.93 116.55 127.01 1t8d n ASP 86 Ca 0.11 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.24 1t8d n ASP 86 Cb 0.49 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.35 0.00 -1.51 1.24 4.02 -1.26 -5.14 117.16 112.17 1t8d n TYR 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1t8d n TYR 87 Cb 0.40 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 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 -3.44 -8.12 0.00 7.72 7.64 -1.26 -4.98 113.62 111.18 1t8d n SER 88 Ca -0.25 1.72 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1t8d n SER 88 Cb 0.70 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.11 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 -2.36 0.25 -4.44 6.43 3.02 -1.26 -5.05 115.26 111.86 1t8d n ASN 89 Ca 0.00 -0.12 -0.46 0.00 -0.03 0.00 0.00 54.58 53.97 1t8d n ASN 89 Cb 0.40 0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.32 0.81 -1.54 3.10 4.27 -1.25 -3.49 117.44 119.02 1t8d n TRP 90 Ca 0.00 0.45 -0.45 0.00 -3.89 0.00 0.00 57.50 53.61 1t8d n TRP 90 Cb 0.00 -2.38 -0.02 0.00 -1.36 0.00 0.00 31.31 27.55 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 10.09 -0.93 1.05 -1.67 0.00 0.65 -4.84 120.51 124.85 1t8d n ALA 91 Ca 0.60 0.40 0.11 0.00 0.00 0.00 0.00 53.44 54.55 1t8d n ALA 91 Cb 0.05 -1.91 0.56 0.00 0.00 0.00 0.00 19.45 18.15 1t8d n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t8d n PRO 92 N 0.78 0.33 0.00 0.00 -0.04 -1.26 -3.00 135.00 131.81 1t8d n PRO 92 Ca 0.12 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1t8d n PRO 92 Cb 0.30 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.12 1t8d n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t8d n GLY 93 N 0.56 -0.99 2.82 0.55 0.00 -1.26 -4.29 105.19 102.59 1t8d n GLY 93 Ca 0.11 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1t8d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 94 N -2.00 2.19 -0.30 1.61 0.41 -1.16 -5.08 118.70 114.37 1t8d s GLU 94 Ca 0.43 -3.11 -0.29 0.00 -0.41 0.00 0.00 54.97 51.59 1t8d s GLU 94 Cb 0.20 -3.10 -0.01 0.00 -1.78 0.00 0.00 34.13 29.44 1t8d s GLU 94 CO 0.33 -1.29 1.55 -1.25 -0.49 0.00 0.00 175.26 174.11 1t8d s PRO 95 N -1.15 3.68 0.20 0.39 0.04 -1.26 -4.87 135.00 132.03 1t8d s PRO 95 Ca 0.26 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1t8d s PRO 95 Cb -0.05 -4.04 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 1t8d s PRO 95 CO -0.16 -1.43 1.27 -0.08 0.04 0.00 0.00 177.00 176.63 1t8d s THR 96 N 5.43 3.32 0.56 1.26 -1.32 -1.26 -5.03 115.64 118.59 1t8d s THR 96 Ca 0.68 1.11 0.03 0.00 -1.21 0.00 0.00 61.69 62.30 1t8d s THR 96 Cb -0.20 -3.71 0.05 0.00 -1.51 0.00 0.00 72.50 67.13 1t8d s THR 96 CO 0.30 0.18 0.78 -0.44 -2.21 0.00 0.00 174.62 173.22 1t8d s SER 97 N 0.21 5.16 0.15 8.08 0.01 -1.26 -5.05 113.70 121.00 1t8d s SER 97 Ca 0.55 -0.23 -0.31 0.00 1.31 0.00 0.00 55.95 57.27 1t8d s SER 97 Cb -0.35 -0.56 -0.08 0.00 0.21 0.00 0.00 66.02 65.23 1t8d s SER 97 CO 0.38 -1.22 1.38 0.00 0.41 0.00 0.00 173.24 174.20 1t8d s ARG 98 N -4.74 4.33 0.00 12.44 1.70 -1.26 -4.97 118.95 126.44 1t8d s ARG 98 Ca 0.59 2.11 0.00 0.00 -0.47 0.00 0.00 55.73 57.96 1t8d s ARG 98 Cb -0.09 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.07 1t8d s ARG 98 CO 0.38 -0.40 0.00 0.45 -1.08 0.00 0.00 175.30 174.65 1t8d n SER 99 N 3.49 0.00 -3.21 -2.89 2.88 -1.26 -5.16 113.62 107.47 1t8d n SER 99 Ca 0.10 -0.82 0.03 0.00 -1.33 0.00 0.00 58.87 56.85 1t8d n SER 99 Cb 0.42 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 1t8d n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t8d s GLN 100 N -1.46 0.55 0.00 -1.46 -2.07 -1.26 -4.88 119.66 109.07 1t8d s GLN 100 Ca 0.00 1.04 0.00 0.00 -1.82 0.00 0.00 55.36 54.58 1t8d s GLN 100 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1t8d s GLN 100 CO 0.00 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 173.83 1t8d n GLY 101 N 5.43 -0.54 3.77 2.60 0.00 -1.26 -5.13 105.19 110.07 1t8d n GLY 101 Ca -0.03 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1t8d n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t8d s GLU 102 N 0.00 0.32 -0.30 1.61 8.01 -1.26 -4.73 118.70 122.35 1t8d s GLU 102 Ca 0.00 -0.01 -0.05 0.00 0.01 0.00 0.00 54.97 54.92 1t8d s GLU 102 Cb 0.00 -1.77 0.19 0.00 -4.31 0.00 0.00 34.13 28.24 1t8d s GLU 102 CO 0.00 -2.70 0.83 -0.51 0.01 0.00 0.00 175.26 172.89 1t8d s ASP 103 N -4.23 -0.96 0.11 -0.19 1.01 -1.26 -4.44 116.67 106.71 1t8d s ASP 103 Ca 0.69 0.35 -0.09 0.00 0.71 0.00 0.00 52.55 54.21 1t8d s ASP 103 Cb -0.10 1.71 -0.00 0.00 1.01 0.00 0.00 42.92 45.53 1t8d s ASP 103 CO 0.54 -0.18 0.22 0.00 0.21 0.00 0.00 175.17 175.96 1t8d s VAL 105 N -3.88 3.77 0.40 0.00 1.01 -1.22 -2.53 120.40 117.96 1t8d s VAL 105 Ca 0.07 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1t8d s VAL 105 Cb 0.04 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 1t8d s VAL 105 CO -0.09 0.57 0.04 0.00 0.00 0.00 0.00 175.10 175.63 1t8d s MET 106 N -0.52 2.02 -0.08 2.72 0.23 -0.64 -3.88 119.30 119.15 1t8d s MET 106 Ca 0.08 -2.03 0.03 0.00 -1.03 0.00 0.00 55.69 52.75 1t8d s MET 106 Cb -0.12 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.45 1t8d s MET 106 CO 0.02 -0.05 -0.20 1.41 -2.03 0.00 0.00 175.02 174.18 1t8d s MET 107 N -3.75 2.48 0.26 3.16 1.75 -0.89 0.15 119.30 122.47 1t8d s MET 107 Ca 0.36 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 54.16 1t8d s MET 107 Cb 0.08 -1.94 -0.03 0.00 2.84 0.00 0.00 34.83 35.78 1t8d s MET 107 CO 0.19 0.14 0.28 0.50 -0.65 0.00 0.00 175.02 175.48 1t8d s ARG 108 N 0.42 3.11 0.00 4.11 3.52 -0.70 -2.62 118.95 126.78 1t8d s ARG 108 Ca -0.16 -0.96 0.08 0.00 -0.13 0.00 0.00 55.73 54.56 1t8d s ARG 108 Cb -0.17 -2.69 0.34 0.00 -1.56 0.00 0.00 34.95 30.87 1t8d s ARG 108 CO 0.07 0.36 1.24 0.41 -0.81 0.00 0.00 175.30 176.57 1t8d n GLY 109 N -1.31 -0.75 0.37 8.12 0.00 -1.26 -2.69 105.19 107.66 1t8d n GLY 109 Ca -0.07 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.97 1t8d n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t8d h SER 110 N 0.00 0.88 0.00 1.61 0.02 -1.94 -3.46 113.55 110.67 1t8d h SER 110 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1t8d h SER 110 Cb 0.13 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1t8d h SER 110 CO 0.00 0.54 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 1t8d n GLY 111 N -1.39 -0.18 0.00 -3.77 0.00 -1.10 -5.13 105.19 93.62 1t8d n GLY 111 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -4.05 1.61 -4.01 -1.25 -4.70 116.66 104.27 1t8d n ARG 112 Ca 0.00 0.00 -0.22 0.00 -1.04 0.00 0.00 57.85 56.59 1t8d n ARG 112 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 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 -1.33 2.91 -0.08 2.89 0.51 -1.23 -1.72 118.94 120.89 1t8d s TRP 113 Ca 0.00 -0.23 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 1t8d s TRP 113 Cb 0.00 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.16 1t8d s TRP 113 CO 0.00 0.40 -0.00 -0.80 -0.51 0.00 0.00 176.95 176.04 1t8d s ASN 114 N -3.86 1.71 -0.12 2.95 -0.87 0.12 -0.26 114.94 114.61 1t8d s ASN 114 Ca 0.36 -0.14 -0.23 0.00 -1.57 0.00 0.00 52.86 51.28 1t8d s ASN 114 Cb -0.06 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.25 40.65 1t8d s ASN 114 CO 0.24 -0.19 0.69 -0.62 -2.57 0.00 0.00 177.10 174.65 1t8d s ASP 115 N 1.94 6.89 0.17 -1.22 2.15 -1.26 -1.61 116.67 123.72 1t8d s ASP 115 Ca 0.05 1.08 -0.19 0.00 0.43 0.00 0.00 52.55 53.92 1t8d s ASP 115 Cb -0.12 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1t8d s ASP 115 CO -0.06 -0.19 0.51 0.00 -0.17 0.00 0.00 175.17 175.27 1t8d s ALA 116 N 1.26 -1.13 -0.32 3.66 0.00 -1.05 -4.85 121.76 119.33 1t8d s ALA 116 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1t8d s ALA 116 Cb -0.17 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1t8d s ALA 116 CO 0.15 -0.75 0.53 1.97 0.00 0.00 0.00 175.76 177.65 1t8d n PHE 117 N -0.32 0.00 -1.48 0.00 1.16 -1.26 -1.69 117.46 113.87 1t8d n PHE 117 Ca -0.14 -0.21 -0.12 0.00 -1.87 0.00 0.00 57.45 55.11 1t8d n PHE 117 Cb 0.63 -0.15 -0.05 0.00 -1.61 0.00 0.00 39.48 38.31 1t8d n PHE 117 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1t8d n ASP 119 N -0.05 3.42 -0.02 0.00 8.00 -1.26 -4.83 116.55 121.80 1t8d n ASP 119 Ca -0.13 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.68 1t8d n ASP 119 Cb 0.44 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1t8d n ASP 119 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1t8d n ARG 120 N -0.08 3.33 -2.70 -1.24 3.00 -1.26 -5.12 116.66 112.59 1t8d n ARG 120 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.06 1t8d n ARG 120 Cb 0.96 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.45 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 0.25 -0.21 -0.14 3.00 -1.26 -5.15 118.16 114.65 1t8d n LYS 121 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.11 1t8d n LYS 121 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 35.03 34.63 1t8d n LYS 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1t8d n LEU 122 N 2.68 0.00 0.00 3.14 7.94 -1.26 -4.93 117.00 124.57 1t8d n LEU 122 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1t8d n LEU 122 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1t8d n LEU 122 CO -0.08 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 176.42 1t8d n GLY 123 N 5.00 0.84 3.10 -3.96 0.00 -1.26 -4.92 105.19 103.99 1t8d n GLY 123 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.65 -0.17 4.61 0.00 -1.25 -1.67 121.76 124.93 1t8d s ALA 124 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 1t8d s ALA 124 Cb 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1t8d s ALA 124 CO 0.00 0.16 0.13 1.67 0.00 0.00 0.00 175.76 177.72 1t8d s TRP 125 N 0.58 3.48 -0.05 0.00 1.48 0.77 -3.56 118.94 121.64 1t8d s TRP 125 Ca -0.15 0.40 0.01 0.00 -1.06 0.00 0.00 56.10 55.30 1t8d s TRP 125 Cb -0.17 -2.07 0.02 0.00 -1.16 0.00 0.00 33.47 30.09 1t8d s TRP 125 CO 0.05 0.46 -0.05 0.54 -4.06 0.00 0.00 176.95 173.89 1t8d s VAL 126 N -0.17 0.63 0.11 -0.66 0.11 -1.25 -1.20 120.40 117.97 1t8d s VAL 126 Ca 0.11 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1t8d s VAL 126 Cb -0.11 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1t8d s VAL 126 CO 0.00 0.25 0.07 0.00 -3.33 0.00 0.00 175.10 172.09 1t8d s ASP 128 N -2.98 2.20 0.27 0.00 1.47 0.12 0.23 116.67 117.98 1t8d s ASP 128 Ca 0.16 -0.43 -0.16 0.00 1.18 0.00 0.00 52.55 53.30 1t8d s ASP 128 Cb 0.07 -0.20 0.01 0.00 -0.34 0.00 0.00 42.92 42.46 1t8d s ASP 128 CO -0.03 0.17 0.60 0.00 0.68 0.00 0.00 175.17 176.59 1t8d s ARG 129 N -0.86 1.71 0.11 2.11 1.70 -0.58 0.84 118.95 123.97 1t8d s ARG 129 Ca 0.06 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 1t8d s ARG 129 Cb -0.08 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.78 1t8d s ARG 129 CO 0.01 -0.75 1.11 -0.51 -1.08 0.00 0.00 175.30 174.07 1t8d s LEU 130 N -2.99 4.43 -0.70 -1.89 2.01 -1.26 0.21 118.68 118.49 1t8d s LEU 130 Ca 0.17 1.98 -0.25 0.00 0.01 0.00 0.00 54.13 56.04 1t8d s LEU 130 Cb -0.03 -3.59 -0.14 0.00 0.01 0.00 0.00 46.19 42.44 1t8d s LEU 130 CO 0.09 -0.30 2.42 0.00 1.01 0.00 0.00 176.35 179.57 1t8d n ALA 131 N 3.15 0.59 -3.93 4.21 0.00 -1.14 -4.78 120.51 118.61 1t8d n ALA 131 Ca 0.05 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 1t8d n ALA 131 Cb 0.47 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 16.81 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 8.03 0.00 -3.80 0.00 -2.24 -1.26 -4.69 114.28 110.31 1t8d n THR 132 Ca 0.47 -1.21 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 1t8d n THR 132 Cb 0.41 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.63 2.65 0.44 0.00 2.01 -1.26 -4.95 115.64 111.90 1t8d s THR 134 Ca 0.17 0.47 -0.24 0.00 0.31 0.00 0.00 61.69 62.39 1t8d s THR 134 Cb -0.01 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1t8d s THR 134 CO 0.12 0.04 1.22 -2.65 -0.69 0.00 0.00 174.62 172.66 1t8d n PRO 135 N 3.91 1.75 -1.54 4.92 -0.02 -1.26 -4.83 135.00 137.94 1t8d n PRO 135 Ca 0.13 0.63 -0.45 0.00 -2.02 0.00 0.00 63.50 61.80 1t8d n PRO 135 Cb 0.39 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1t8d n PRO 135 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t8d n PRO 136 N -0.11 1.49 -2.27 0.52 -0.02 -1.26 -4.90 135.00 128.44 1t8d n PRO 136 Ca 0.08 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 1t8d n PRO 136 Cb 0.40 -2.96 -0.02 0.00 -0.02 0.00 0.00 33.50 30.90 1t8d n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t8d s ALA 137 N 8.53 3.49 0.00 3.55 0.00 -1.26 -4.73 121.76 131.34 1t8d s ALA 137 Ca 1.05 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1t8d s ALA 137 Cb -0.52 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1t8d s ALA 137 CO 0.39 -1.54 0.00 0.43 0.00 0.00 0.00 175.76 175.04 1t8d n SER 138 N 7.39 0.00 0.01 0.00 7.64 -1.26 -4.98 113.62 122.42 1t8d n SER 138 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1t8d n SER 138 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1t8d n SER 138 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1t8d n GLU 139 N -0.04 0.00 -2.06 1.43 2.13 -1.26 -5.06 120.64 115.78 1t8d n GLU 139 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1t8d n GLU 139 Cb 0.00 -0.24 -0.03 0.00 0.27 0.00 0.00 31.44 31.44 1t8d n GLU 139 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1t8d s GLY 140 N -4.95 2.02 0.80 8.31 0.00 -1.26 -5.00 107.32 107.24 1t8d s GLY 140 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 1t8d s GLY 140 CO 0.00 2.37 1.09 -1.35 0.00 0.00 0.00 173.10 175.21 1t8d s SER 141 N 0.78 4.39 -1.31 1.64 1.04 -1.26 -4.93 113.70 114.05 1t8d s SER 141 Ca 0.63 1.56 -0.13 0.00 0.48 0.00 0.00 55.95 58.50 1t8d s SER 141 Cb -0.40 -2.30 0.12 0.00 0.10 0.00 0.00 66.02 63.54 1t8d s SER 141 CO 0.36 -2.07 1.84 0.00 0.98 0.00 0.00 173.24 174.35 1t8d n ALA 142 N -3.52 4.77 1.90 5.32 0.00 -1.26 -5.14 120.51 122.58 1t8d n ALA 142 Ca 0.08 -4.11 0.15 0.00 0.00 0.00 0.00 53.44 49.56 1t8d n ALA 142 Cb 0.54 -3.25 0.90 0.00 0.00 0.00 0.00 19.45 17.65 1t8d n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89